data_15723_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15723
_Entry.PDB_ID 2K87
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 2 2 TYR HA H 2 4.617 5.016 -0.399 1
1 7 . 1 1 1 A 2 2 TYR C C 2 172.716 174.141 -1.425 1
1 8 . 1 1 1 A 2 2 TYR CA C 2 56.943 58.228 -1.285 1
1 9 . 1 1 1 A 2 2 TYR CB C 2 38.050 40.856 -2.806 1
1 14 . 1 1 1 A 2 2 TYR N N 2 121.461 123.008 -1.547 1
1 15 . 1 1 1 A 3 3 THR H H 3 7.984 7.781 0.203 1
1 16 . 1 1 1 A 3 3 THR HA H 3 4.684 4.507 0.177 1
1 21 . 1 1 1 A 3 3 THR C C 3 170.931 173.777 -2.846 1
1 22 . 1 1 1 A 3 3 THR CA C 3 60.870 61.373 -0.503 1
1 23 . 1 1 1 A 3 3 THR CB C 3 69.270 70.088 -0.818 1
1 25 . 1 1 1 A 3 3 THR N N 3 117.624 117.699 -0.075 1
1 26 . 1 1 1 A 4 4 GLU H H 4 8.290 7.102 1.188 1
1 27 . 1 1 1 A 4 4 GLU HA H 4 4.183 3.735 0.448 1
1 32 . 1 1 1 A 4 4 GLU C C 4 173.013 175.338 -2.325 1
1 33 . 1 1 1 A 4 4 GLU CA C 4 55.876 57.274 -1.398 1
1 34 . 1 1 1 A 4 4 GLU CB C 4 29.779 28.040 1.739 1
1 36 . 1 1 1 A 4 4 GLU N N 4 123.377 118.070 5.307 1
1 37 . 1 1 1 A 5 5 GLN H H 5 8.329 7.705 0.624 1
1 38 . 1 1 1 A 5 5 GLN HA H 5 4.392 4.477 -0.085 1
1 43 . 1 1 1 A 5 5 GLN CA C 5 52.634 54.032 -1.398 1
1 44 . 1 1 1 A 5 5 GLN CB C 5 28.759 27.425 1.334 1
1 46 . 1 1 1 A 5 5 GLN N N 5 122.599 118.441 4.158 1
1 47 . 1 1 1 A 6 6 PRO HA H 6 4.323 4.500 -0.177 1
1 54 . 1 1 1 A 6 6 PRO C C 6 173.636 175.923 -2.287 1
1 55 . 1 1 1 A 6 6 PRO CA C 6 62.080 62.275 -0.195 1
1 56 . 1 1 1 A 6 6 PRO CB C 6 30.785 32.283 -1.498 1
1 59 . 1 1 1 A 7 7 ILE H H 7 8.160 8.308 -0.148 1
1 60 . 1 1 1 A 7 7 ILE HA H 7 3.871 4.258 -0.387 1
1 70 . 1 1 1 A 7 7 ILE C C 7 172.770 176.042 -3.272 1
1 71 . 1 1 1 A 7 7 ILE CA C 7 60.589 60.849 -0.260 1
1 72 . 1 1 1 A 7 7 ILE CB C 7 38.318 36.282 2.036 1
1 76 . 1 1 1 A 7 7 ILE N N 7 121.913 121.543 0.370 1
1 77 . 1 1 1 A 8 8 ASP H H 8 8.126 8.263 -0.137 1
1 78 . 1 1 1 A 8 8 ASP HA H 8 4.584 4.105 0.479 1
1 81 . 1 1 1 A 8 8 ASP C C 8 171.742 175.218 -3.476 1
1 82 . 1 1 1 A 8 8 ASP CA C 8 53.265 54.932 -1.667 1
1 83 . 1 1 1 A 8 8 ASP CB C 8 39.521 39.355 0.166 1
1 84 . 1 1 1 A 8 8 ASP N N 8 124.858 126.111 -1.253 1
1 85 . 1 1 1 A 9 9 LEU H H 9 7.374 7.915 -0.541 1
1 86 . 1 1 1 A 9 9 LEU HA H 9 4.506 4.443 0.063 1
1 96 . 1 1 1 A 9 9 LEU C C 9 174.041 175.804 -1.763 1
1 97 . 1 1 1 A 9 9 LEU CA C 9 53.779 54.807 -1.028 1
1 98 . 1 1 1 A 9 9 LEU CB C 9 43.411 43.005 0.406 1
1 102 . 1 1 1 A 9 9 LEU N N 9 122.151 119.156 2.995 1
1 103 . 1 1 1 A 10 10 VAL H H 10 8.827 8.770 0.057 1
1 104 . 1 1 1 A 10 10 VAL HA H 10 4.841 5.001 -0.160 1
1 112 . 1 1 1 A 10 10 VAL CA C 10 57.706 58.114 -0.408 1
1 113 . 1 1 1 A 10 10 VAL CB C 10 33.895 34.665 -0.770 1
1 116 . 1 1 1 A 10 10 VAL N N 10 120.738 119.625 1.113 1
1 117 . 1 1 1 A 11 11 PRO HA H 11 4.766 4.832 -0.066 1
1 124 . 1 1 1 A 11 11 PRO C C 11 173.149 175.213 -2.064 1
1 125 . 1 1 1 A 11 11 PRO CA C 11 62.417 62.801 -0.384 1
1 126 . 1 1 1 A 11 11 PRO CB C 11 32.119 33.225 -1.106 1
1 129 . 1 1 1 A 12 12 THR H H 12 7.408 8.670 -1.262 1
1 130 . 1 1 1 A 12 12 THR HA H 12 4.280 4.790 -0.510 1
1 135 . 1 1 1 A 12 12 THR C C 12 166.981 172.257 -5.276 1
1 136 . 1 1 1 A 12 12 THR CA C 12 59.142 59.700 -0.558 1
1 137 . 1 1 1 A 12 12 THR CB C 12 68.812 70.328 -1.516 1
1 139 . 1 1 1 A 12 12 THR N N 12 115.177 115.879 -0.702 1
1 140 . 1 1 1 A 13 13 GLN H H 13 7.953 8.588 -0.635 1
1 141 . 1 1 1 A 13 13 GLN HA H 13 5.073 4.880 0.193 1
1 146 . 1 1 1 A 13 13 GLN CA C 13 52.836 52.599 0.237 1
1 147 . 1 1 1 A 13 13 GLN CB C 13 28.566 31.736 -3.170 1
1 149 . 1 1 1 A 13 13 GLN N N 13 113.324 120.934 -7.610 1
1 150 . 1 1 1 A 14 14 PRO HA H 14 4.340 4.528 -0.188 1
1 157 . 1 1 1 A 14 14 PRO C C 14 173.392 176.631 -3.239 1
1 158 . 1 1 1 A 14 14 PRO CA C 14 62.498 62.410 0.088 1
1 159 . 1 1 1 A 14 14 PRO CB C 14 31.565 32.120 -0.555 1
1 162 . 1 1 1 A 15 15 LEU H H 15 8.764 8.440 0.324 1
1 163 . 1 1 1 A 15 15 LEU HA H 15 4.511 4.601 -0.090 1
1 173 . 1 1 1 A 15 15 LEU CA C 15 52.597 53.251 -0.654 1
1 174 . 1 1 1 A 15 15 LEU CB C 15 40.769 41.245 -0.476 1
1 178 . 1 1 1 A 15 15 LEU N N 15 124.665 123.838 0.827 1
1 179 . 1 1 1 A 16 16 PRO HA H 16 4.325 4.651 -0.326 1
1 186 . 1 1 1 A 16 16 PRO CA C 16 63.358 63.177 0.181 1
1 187 . 1 1 1 A 16 16 PRO CB C 16 31.187 32.209 -1.022 1
1 190 . 1 1 1 A 17 17 ASN H H 17 8.682 8.911 -0.229 1
1 191 . 1 1 1 A 17 17 ASN HA H 17 4.586 4.612 -0.026 1
1 196 . 1 1 1 A 17 17 ASN C C 17 174.691 174.643 0.048 1
1 197 . 1 1 1 A 17 17 ASN CA C 17 52.745 54.240 -1.495 1
1 198 . 1 1 1 A 17 17 ASN CB C 17 36.762 36.439 0.323 1
1 199 . 1 1 1 A 17 17 ASN N N 17 114.315 120.093 -5.778 1
1 201 . 1 1 1 A 18 18 ALA H H 18 7.283 7.910 -0.627 1
1 202 . 1 1 1 A 18 18 ALA HA H 18 4.569 4.517 0.052 1
1 206 . 1 1 1 A 18 18 ALA C C 18 174.041 176.716 -2.675 1
1 207 . 1 1 1 A 18 18 ALA CA C 18 51.618 52.867 -1.249 1
1 208 . 1 1 1 A 18 18 ALA CB C 18 20.698 20.438 0.260 1
1 209 . 1 1 1 A 18 18 ALA N N 18 121.620 124.224 -2.604 1
1 210 . 1 1 1 A 19 19 SER H H 19 8.744 9.034 -0.290 1
1 211 . 1 1 1 A 19 19 SER HA H 19 4.479 4.555 -0.076 1
1 214 . 1 1 1 A 19 19 SER C C 19 169.984 172.128 -2.144 1
1 215 . 1 1 1 A 19 19 SER CA C 19 56.634 56.842 -0.208 1
1 216 . 1 1 1 A 19 19 SER CB C 19 65.044 65.986 -0.942 1
1 217 . 1 1 1 A 19 19 SER N N 19 113.995 113.700 0.295 1
1 218 . 1 1 1 A 20 20 PHE H H 20 7.753 7.778 -0.025 1
1 219 . 1 1 1 A 20 20 PHE HA H 20 3.514 4.059 -0.545 1
1 226 . 1 1 1 A 20 20 PHE C C 20 172.635 174.026 -1.391 1
1 227 . 1 1 1 A 20 20 PHE CA C 20 58.070 58.641 -0.571 1
1 228 . 1 1 1 A 20 20 PHE CB C 20 37.588 39.326 -1.738 1
1 233 . 1 1 1 A 20 20 PHE N N 20 124.690 123.005 1.685 1
1 234 . 1 1 1 A 21 21 ASP H H 21 8.288 7.551 0.737 1
1 235 . 1 1 1 A 21 21 ASP HA H 21 4.351 4.696 -0.345 1
1 238 . 1 1 1 A 21 21 ASP CA C 21 51.826 52.154 -0.328 1
1 239 . 1 1 1 A 21 21 ASP CB C 21 38.598 42.819 -4.221 1
1 240 . 1 1 1 A 21 21 ASP N N 21 127.080 125.655 1.425 1
1 241 . 1 1 1 A 22 22 ASN HA H 22 3.766 4.725 -0.959 1
1 246 . 1 1 1 A 22 22 ASN C C 22 171.688 174.626 -2.938 1
1 247 . 1 1 1 A 22 22 ASN CA C 22 54.954 52.712 2.242 1
1 248 . 1 1 1 A 22 22 ASN CB C 22 37.641 39.320 -1.679 1
1 250 . 1 1 1 A 23 23 PHE H H 23 5.484 7.128 -1.644 1
1 251 . 1 1 1 A 23 23 PHE HA H 23 4.804 4.341 0.463 1
1 259 . 1 1 1 A 23 23 PHE C C 23 169.768 174.654 -4.886 1
1 260 . 1 1 1 A 23 23 PHE CA C 23 54.649 57.508 -2.859 1
1 261 . 1 1 1 A 23 23 PHE CB C 23 39.850 39.563 0.287 1
1 267 . 1 1 1 A 23 23 PHE N N 23 112.858 117.795 -4.937 1
1 268 . 1 1 1 A 24 24 LYS H H 24 8.329 8.783 -0.454 1
1 269 . 1 1 1 A 24 24 LYS HA H 24 3.719 4.716 -0.997 1
1 278 . 1 1 1 A 24 24 LYS C C 24 171.959 175.705 -3.746 1
1 279 . 1 1 1 A 24 24 LYS CA C 24 53.756 54.167 -0.411 1
1 280 . 1 1 1 A 24 24 LYS CB C 24 36.279 35.584 0.695 1
1 284 . 1 1 1 A 24 24 LYS N N 24 119.724 121.152 -1.428 1
1 285 . 1 1 1 A 25 25 LEU H H 25 9.144 8.671 0.473 1
1 286 . 1 1 1 A 25 25 LEU HA H 25 5.462 5.141 0.321 1
1 296 . 1 1 1 A 25 25 LEU C C 25 174.609 176.059 -1.450 1
1 297 . 1 1 1 A 25 25 LEU CA C 25 53.208 52.788 0.420 1
1 298 . 1 1 1 A 25 25 LEU CB C 25 41.419 44.376 -2.957 1
1 302 . 1 1 1 A 25 25 LEU N N 25 126.849 121.667 5.182 1
1 303 . 1 1 1 A 26 26 THR H H 26 8.956 8.604 0.352 1
1 304 . 1 1 1 A 26 26 THR HA H 26 4.471 5.260 -0.789 1
1 309 . 1 1 1 A 26 26 THR C C 26 169.524 173.158 -3.634 1
1 310 . 1 1 1 A 26 26 THR CA C 26 58.769 59.794 -1.025 1
1 311 . 1 1 1 A 26 26 THR CB C 26 69.971 72.734 -2.763 1
1 313 . 1 1 1 A 26 26 THR N N 26 113.907 110.466 3.441 1
1 314 . 1 1 1 A 27 27 CYS H H 27 8.507 8.547 -0.040 1
1 315 . 1 1 1 A 27 27 CYS HA H 27 4.509 4.822 -0.313 1
1 318 . 1 1 1 A 27 27 CYS C C 27 169.984 174.108 -4.124 1
1 319 . 1 1 1 A 27 27 CYS CA C 27 57.948 58.056 -0.108 1
1 320 . 1 1 1 A 27 27 CYS CB C 27 29.529 30.834 -1.305 1
1 321 . 1 1 1 A 27 27 CYS N N 27 120.842 119.017 1.825 1
1 322 . 1 1 1 A 28 28 SER H H 28 9.044 8.725 0.319 1
1 323 . 1 1 1 A 28 28 SER HA H 28 4.140 4.220 -0.080 1
1 326 . 1 1 1 A 28 28 SER C C 28 172.716 174.517 -1.801 1
1 327 . 1 1 1 A 28 28 SER CA C 28 60.986 61.808 -0.822 1
1 328 . 1 1 1 A 28 28 SER CB C 28 61.437 62.813 -1.376 1
1 329 . 1 1 1 A 28 28 SER N N 28 124.898 118.394 6.504 1
1 330 . 1 1 1 A 29 29 ASN H H 29 7.825 7.403 0.422 1
1 331 . 1 1 1 A 29 29 ASN HA H 29 4.951 4.811 0.140 1
1 336 . 1 1 1 A 29 29 ASN C C 29 171.688 175.998 -4.310 1
1 337 . 1 1 1 A 29 29 ASN CA C 29 52.155 53.208 -1.053 1
1 338 . 1 1 1 A 29 29 ASN CB C 29 36.980 39.455 -2.475 1
1 339 . 1 1 1 A 29 29 ASN N N 29 121.001 119.519 1.482 1
1 341 . 1 1 1 A 30 30 THR H H 30 8.062 8.743 -0.681 1
1 342 . 1 1 1 A 30 30 THR HA H 30 3.901 4.022 -0.121 1
1 347 . 1 1 1 A 30 30 THR C C 30 173.338 176.691 -3.353 1
1 348 . 1 1 1 A 30 30 THR CA C 30 64.874 66.107 -1.233 1
1 349 . 1 1 1 A 30 30 THR CB C 30 67.715 68.810 -1.095 1
1 351 . 1 1 1 A 30 30 THR N N 30 119.799 119.468 0.331 1
1 352 . 1 1 1 A 31 31 LYS H H 31 8.015 8.171 -0.156 1
1 353 . 1 1 1 A 31 31 LYS HA H 31 4.119 3.966 0.153 1
1 362 . 1 1 1 A 31 31 LYS C C 31 174.231 178.549 -4.318 1
1 363 . 1 1 1 A 31 31 LYS CA C 31 58.286 59.808 -1.522 1
1 364 . 1 1 1 A 31 31 LYS CB C 31 31.547 32.252 -0.705 1
1 368 . 1 1 1 A 31 31 LYS N N 31 122.845 122.206 0.639 1
1 369 . 1 1 1 A 32 32 PHE H H 32 7.739 8.924 -1.185 1
1 370 . 1 1 1 A 32 32 PHE HA H 32 4.652 4.239 0.413 1
1 378 . 1 1 1 A 32 32 PHE C C 32 174.691 177.731 -3.040 1
1 379 . 1 1 1 A 32 32 PHE CA C 32 59.954 61.934 -1.980 1
1 380 . 1 1 1 A 32 32 PHE CB C 32 38.444 39.454 -1.010 1
1 386 . 1 1 1 A 32 32 PHE N N 32 120.100 121.198 -1.098 1
1 387 . 1 1 1 A 33 33 ALA H H 33 6.955 7.982 -1.027 1
1 388 . 1 1 1 A 33 33 ALA HA H 33 3.555 4.184 -0.629 1
1 392 . 1 1 1 A 33 33 ALA C C 33 175.502 179.891 -4.389 1
1 393 . 1 1 1 A 33 33 ALA CA C 33 54.703 54.765 -0.062 1
1 394 . 1 1 1 A 33 33 ALA CB C 33 17.085 18.254 -1.169 1
1 395 . 1 1 1 A 33 33 ALA N N 33 116.140 121.235 -5.095 1
1 396 . 1 1 1 A 34 34 ASP H H 34 8.795 8.289 0.506 1
1 397 . 1 1 1 A 34 34 ASP HA H 34 4.367 4.447 -0.080 1
1 400 . 1 1 1 A 34 34 ASP C C 34 176.854 178.303 -1.449 1
1 401 . 1 1 1 A 34 34 ASP CA C 34 56.911 57.153 -0.242 1
1 402 . 1 1 1 A 34 34 ASP CB C 34 39.495 40.361 -0.866 1
1 403 . 1 1 1 A 34 34 ASP N N 34 118.170 119.163 -0.993 1
1 404 . 1 1 1 A 35 35 ASP H H 35 8.791 8.384 0.407 1
1 405 . 1 1 1 A 35 35 ASP HA H 35 4.360 4.383 -0.023 1
1 408 . 1 1 1 A 35 35 ASP C C 35 177.233 178.745 -1.512 1
1 409 . 1 1 1 A 35 35 ASP CA C 35 56.890 57.116 -0.226 1
1 410 . 1 1 1 A 35 35 ASP CB C 35 39.291 41.035 -1.744 1
1 411 . 1 1 1 A 35 35 ASP N N 35 121.921 119.074 2.847 1
1 412 . 1 1 1 A 36 36 LEU H H 36 7.792 7.934 -0.142 1
1 413 . 1 1 1 A 36 36 LEU HA H 36 4.162 3.970 0.192 1
1 423 . 1 1 1 A 36 36 LEU C C 36 176.097 179.533 -3.436 1
1 424 . 1 1 1 A 36 36 LEU CA C 36 57.508 58.119 -0.611 1
1 425 . 1 1 1 A 36 36 LEU CB C 36 41.523 41.482 0.041 1
1 429 . 1 1 1 A 36 36 LEU N N 36 121.822 119.644 2.178 1
1 430 . 1 1 1 A 37 37 ASN H H 37 9.015 8.647 0.368 1
1 431 . 1 1 1 A 37 37 ASN HA H 37 4.733 4.623 0.110 1
1 436 . 1 1 1 A 37 37 ASN C C 37 176.232 178.550 -2.318 1
1 437 . 1 1 1 A 37 37 ASN CA C 37 54.288 56.639 -2.351 1
1 438 . 1 1 1 A 37 37 ASN CB C 37 37.337 38.044 -0.707 1
1 439 . 1 1 1 A 37 37 ASN N N 37 116.904 117.058 -0.154 1
1 441 . 1 1 1 A 38 38 GLN H H 38 8.218 7.405 0.813 1
1 442 . 1 1 1 A 38 38 GLN HA H 38 4.074 4.084 -0.010 1
1 447 . 1 1 1 A 38 38 GLN C C 38 175.773 178.888 -3.115 1
1 448 . 1 1 1 A 38 38 GLN CA C 38 58.134 58.849 -0.715 1
1 449 . 1 1 1 A 38 38 GLN CB C 38 27.676 28.565 -0.889 1
1 451 . 1 1 1 A 38 38 GLN N N 38 121.443 120.922 0.521 1
1 452 . 1 1 1 A 39 39 MET H H 39 7.487 7.969 -0.482 1
1 453 . 1 1 1 A 39 39 MET HA H 39 3.967 4.164 -0.197 1
1 461 . 1 1 1 A 39 39 MET C C 39 176.259 177.202 -0.943 1
1 462 . 1 1 1 A 39 39 MET CA C 39 58.374 58.569 -0.195 1
1 463 . 1 1 1 A 39 39 MET CB C 39 33.000 32.943 0.057 1
1 466 . 1 1 1 A 39 39 MET N N 39 118.793 119.964 -1.171 1
1 467 . 1 1 1 A 40 40 THR H H 40 7.873 7.307 0.566 1
1 468 . 1 1 1 A 40 40 THR HA H 40 3.769 4.342 -0.573 1
1 473 . 1 1 1 A 40 40 THR C C 40 173.906 174.307 -0.401 1
1 474 . 1 1 1 A 40 40 THR CA C 40 61.739 61.915 -0.176 1
1 475 . 1 1 1 A 40 40 THR CB C 40 68.427 68.784 -0.357 1
1 477 . 1 1 1 A 40 40 THR N N 40 108.945 110.393 -1.448 1
1 478 . 1 1 1 A 41 41 GLY H H 41 7.199 7.841 -0.642 1
1 479 . 1 1 1 A 41 41 GLY HA2 H 41 3.899 3.908 -0.009 1
1 480 . 1 1 1 A 41 41 GLY HA3 H 41 3.662 3.941 -0.279 1
1 481 . 1 1 1 A 41 41 GLY C C 41 171.661 174.596 -2.935 1
1 482 . 1 1 1 A 41 41 GLY CA C 41 44.926 46.246 -1.320 1
1 483 . 1 1 1 A 41 41 GLY N N 41 106.430 110.716 -4.286 1
1 484 . 1 1 1 A 42 42 PHE H H 42 7.876 8.179 -0.303 1
1 485 . 1 1 1 A 42 42 PHE HA H 42 4.682 4.622 0.060 1
1 493 . 1 1 1 A 42 42 PHE C C 42 171.499 174.757 -3.258 1
1 494 . 1 1 1 A 42 42 PHE CA C 42 57.793 59.102 -1.309 1
1 495 . 1 1 1 A 42 42 PHE CB C 42 39.422 39.757 -0.335 1
1 501 . 1 1 1 A 42 42 PHE N N 42 122.221 120.974 1.247 1
1 502 . 1 1 1 A 43 43 THR H H 43 8.418 8.558 -0.140 1
1 503 . 1 1 1 A 43 43 THR HA H 43 3.665 4.244 -0.579 1
1 508 . 1 1 1 A 43 43 THR C C 43 168.767 173.689 -4.922 1
1 509 . 1 1 1 A 43 43 THR CA C 43 59.002 60.905 -1.903 1
1 510 . 1 1 1 A 43 43 THR CB C 43 70.919 71.537 -0.618 1
1 512 . 1 1 1 A 43 43 THR N N 43 123.470 123.146 0.324 1
1 513 . 1 1 1 A 44 44 LYS H H 44 7.999 8.073 -0.074 1
1 514 . 1 1 1 A 44 44 LYS HA H 44 3.924 4.485 -0.561 1
1 523 . 1 1 1 A 44 44 LYS CA C 44 54.785 54.853 -0.068 1
1 524 . 1 1 1 A 44 44 LYS CB C 44 31.047 31.453 -0.406 1
1 528 . 1 1 1 A 44 44 LYS N N 44 124.728 126.293 -1.565 1
1 529 . 1 1 1 A 45 45 PRO HA H 45 4.581 4.638 -0.057 1
1 536 . 1 1 1 A 45 45 PRO C C 45 172.770 176.370 -3.600 1
1 537 . 1 1 1 A 45 45 PRO CA C 45 60.970 62.496 -1.526 1
1 538 . 1 1 1 A 45 45 PRO CB C 45 33.754 32.496 1.258 1
1 541 . 1 1 1 A 46 46 ALA H H 46 8.715 8.560 0.155 1
1 542 . 1 1 1 A 46 46 ALA HA H 46 4.674 4.710 -0.036 1
1 546 . 1 1 1 A 46 46 ALA C C 46 175.827 178.495 -2.668 1
1 547 . 1 1 1 A 46 46 ALA CA C 46 50.851 52.150 -1.299 1
1 548 . 1 1 1 A 46 46 ALA CB C 46 20.458 19.161 1.297 1
1 549 . 1 1 1 A 46 46 ALA N N 46 123.249 124.622 -1.373 1
1 550 . 1 1 1 A 47 47 SER H H 47 8.518 8.788 -0.270 1
1 551 . 1 1 1 A 47 47 SER HA H 47 4.202 4.370 -0.168 1
1 554 . 1 1 1 A 47 47 SER C C 47 171.769 174.870 -3.101 1
1 555 . 1 1 1 A 47 47 SER CA C 47 58.740 61.086 -2.346 1
1 556 . 1 1 1 A 47 47 SER CB C 47 62.419 63.517 -1.098 1
1 557 . 1 1 1 A 47 47 SER N N 47 117.696 117.887 -0.191 1
1 558 . 1 1 1 A 48 48 ARG H H 48 7.276 7.661 -0.385 1
1 559 . 1 1 1 A 48 48 ARG HA H 48 4.466 4.749 -0.283 1
1 566 . 1 1 1 A 48 48 ARG C C 48 170.417 173.734 -3.317 1
1 567 . 1 1 1 A 48 48 ARG CA C 48 54.164 54.567 -0.403 1
1 568 . 1 1 1 A 48 48 ARG CB C 48 29.775 33.241 -3.466 1
1 571 . 1 1 1 A 48 48 ARG N N 48 115.830 115.159 0.671 1
1 572 . 1 1 1 A 49 49 GLU H H 49 8.681 8.635 0.046 1
1 573 . 1 1 1 A 49 49 GLU HA H 49 5.373 5.114 0.259 1
1 578 . 1 1 1 A 49 49 GLU C C 49 172.716 175.655 -2.939 1
1 579 . 1 1 1 A 49 49 GLU CA C 49 53.744 55.233 -1.489 1
1 580 . 1 1 1 A 49 49 GLU CB C 49 32.057 30.882 1.175 1
1 582 . 1 1 1 A 49 49 GLU N N 49 119.800 119.320 0.480 1
1 583 . 1 1 1 A 50 50 LEU H H 50 8.720 8.833 -0.113 1
1 584 . 1 1 1 A 50 50 LEU HA H 50 4.821 4.314 0.507 1
1 594 . 1 1 1 A 50 50 LEU C C 50 171.932 175.338 -3.406 1
1 595 . 1 1 1 A 50 50 LEU CA C 50 52.447 54.767 -2.320 1
1 596 . 1 1 1 A 50 50 LEU CB C 50 44.748 42.374 2.374 1
1 600 . 1 1 1 A 50 50 LEU N N 50 124.747 126.176 -1.429 1
1 601 . 1 1 1 A 51 51 SER H H 51 9.560 8.612 0.948 1
1 602 . 1 1 1 A 51 51 SER HA H 51 4.881 5.487 -0.606 1
1 605 . 1 1 1 A 51 51 SER C C 51 171.769 172.907 -1.138 1
1 606 . 1 1 1 A 51 51 SER CA C 51 55.707 57.483 -1.776 1
1 607 . 1 1 1 A 51 51 SER CB C 51 64.701 66.684 -1.983 1
1 608 . 1 1 1 A 51 51 SER N N 51 119.156 115.267 3.889 1
1 609 . 1 1 1 A 52 52 VAL H H 52 8.416 8.524 -0.108 1
1 610 . 1 1 1 A 52 52 VAL HA H 52 5.196 5.307 -0.111 1
1 618 . 1 1 1 A 52 52 VAL CA C 52 59.207 60.095 -0.888 1
1 619 . 1 1 1 A 52 52 VAL CB C 52 33.156 35.336 -2.180 1
1 622 . 1 1 1 A 52 52 VAL N N 52 121.797 122.339 -0.542 1
1 623 . 1 1 1 A 53 53 THR H H 53 8.383 8.812 -0.429 1
1 624 . 1 1 1 A 53 53 THR HA H 53 4.358 4.797 -0.439 1
1 629 . 1 1 1 A 53 53 THR C C 53 169.741 172.235 -2.494 1
1 630 . 1 1 1 A 53 53 THR CA C 53 58.375 59.114 -0.739 1
1 631 . 1 1 1 A 53 53 THR CB C 53 70.707 71.951 -1.244 1
1 633 . 1 1 1 A 53 53 THR N N 53 117.287 116.819 0.468 1
1 634 . 1 1 1 A 54 54 PHE H H 54 8.737 8.796 -0.059 1
1 635 . 1 1 1 A 54 54 PHE HA H 54 4.536 4.810 -0.274 1
1 643 . 1 1 1 A 54 54 PHE C C 54 172.986 175.690 -2.704 1
1 644 . 1 1 1 A 54 54 PHE CA C 54 57.064 56.485 0.579 1
1 645 . 1 1 1 A 54 54 PHE CB C 54 38.755 39.853 -1.098 1
1 651 . 1 1 1 A 54 54 PHE N N 54 118.180 121.737 -3.557 1
1 652 . 1 1 1 A 55 55 PHE H H 55 9.167 8.545 0.622 1
1 653 . 1 1 1 A 55 55 PHE HA H 55 3.715 4.474 -0.759 1
1 660 . 1 1 1 A 55 55 PHE CA C 55 57.908 57.481 0.427 1
1 661 . 1 1 1 A 55 55 PHE CB C 55 39.594 39.326 0.268 1
1 666 . 1 1 1 A 55 55 PHE N N 55 128.290 124.728 3.562 1
1 667 . 1 1 1 A 56 56 PRO HA H 56 2.356 3.184 -0.828 1
1 674 . 1 1 1 A 56 56 PRO C C 56 171.012 175.600 -4.588 1
1 675 . 1 1 1 A 56 56 PRO CA C 56 62.611 63.346 -0.735 1
1 676 . 1 1 1 A 56 56 PRO CB C 56 32.522 32.056 0.466 1
1 679 . 1 1 1 A 57 57 ASP H H 57 9.009 8.071 0.938 1
1 680 . 1 1 1 A 57 57 ASP HA H 57 4.289 4.515 -0.226 1
1 683 . 1 1 1 A 57 57 ASP C C 57 173.257 177.124 -3.867 1
1 684 . 1 1 1 A 57 57 ASP CA C 57 53.752 54.037 -0.285 1
1 685 . 1 1 1 A 57 57 ASP CB C 57 40.067 41.002 -0.935 1
1 686 . 1 1 1 A 57 57 ASP N N 57 127.876 122.972 4.904 1
1 687 . 1 1 1 A 58 58 LEU H H 58 8.368 8.316 0.052 1
1 688 . 1 1 1 A 58 58 LEU HA H 58 4.229 4.783 -0.554 1
1 698 . 1 1 1 A 58 58 LEU C C 58 174.285 177.280 -2.995 1
1 699 . 1 1 1 A 58 58 LEU CA C 58 52.468 53.245 -0.777 1
1 700 . 1 1 1 A 58 58 LEU CB C 58 40.258 41.740 -1.482 1
1 704 . 1 1 1 A 58 58 LEU N N 58 128.010 119.266 8.744 1
1 705 . 1 1 1 A 59 59 ASN H H 59 8.430 7.752 0.678 1
1 706 . 1 1 1 A 59 59 ASN HA H 59 4.198 4.824 -0.626 1
1 711 . 1 1 1 A 59 59 ASN C C 59 173.636 176.153 -2.517 1
1 712 . 1 1 1 A 59 59 ASN CA C 59 54.945 54.014 0.931 1
1 713 . 1 1 1 A 59 59 ASN CB C 59 38.175 39.133 -0.958 1
1 714 . 1 1 1 A 59 59 ASN N N 59 116.745 117.473 -0.728 1
1 716 . 1 1 1 A 60 60 GLY H H 60 8.083 8.015 0.068 1
1 717 . 1 1 1 A 60 60 GLY HA2 H 60 3.766 3.913 -0.147 1
1 718 . 1 1 1 A 60 60 GLY HA3 H 60 3.326 3.930 -0.604 1
1 719 . 1 1 1 A 60 60 GLY C C 60 169.876 175.136 -5.260 1
1 720 . 1 1 1 A 60 60 GLY CA C 60 44.285 45.444 -1.159 1
1 721 . 1 1 1 A 60 60 GLY N N 60 110.045 107.463 2.582 1
1 722 . 1 1 1 A 61 61 ASP H H 61 8.084 8.781 -0.697 1
1 723 . 1 1 1 A 61 61 ASP HA H 61 4.200 4.371 -0.171 1
1 726 . 1 1 1 A 61 61 ASP C C 61 172.283 175.587 -3.304 1
1 727 . 1 1 1 A 61 61 ASP CA C 61 56.865 56.660 0.205 1
1 728 . 1 1 1 A 61 61 ASP CB C 61 42.113 40.671 1.442 1
1 729 . 1 1 1 A 61 61 ASP N N 61 121.395 120.832 0.563 1
1 730 . 1 1 1 A 62 62 VAL H H 62 8.387 7.638 0.749 1
1 731 . 1 1 1 A 62 62 VAL HA H 62 4.096 4.703 -0.607 1
1 739 . 1 1 1 A 62 62 VAL C C 62 171.255 174.452 -3.197 1
1 740 . 1 1 1 A 62 62 VAL CA C 62 58.914 60.455 -1.541 1
1 741 . 1 1 1 A 62 62 VAL CB C 62 34.433 35.615 -1.182 1
1 744 . 1 1 1 A 62 62 VAL N N 62 117.701 116.988 0.713 1
1 745 . 1 1 1 A 63 63 VAL H H 63 8.251 8.551 -0.300 1
1 746 . 1 1 1 A 63 63 VAL HA H 63 4.637 4.946 -0.309 1
1 754 . 1 1 1 A 63 63 VAL C C 63 171.282 174.435 -3.153 1
1 755 . 1 1 1 A 63 63 VAL CA C 63 59.233 59.872 -0.639 1
1 756 . 1 1 1 A 63 63 VAL CB C 63 33.531 36.133 -2.602 1
1 759 . 1 1 1 A 63 63 VAL N N 63 125.341 125.024 0.317 1
1 760 . 1 1 1 A 64 64 ALA H H 64 9.316 8.484 0.832 1
1 761 . 1 1 1 A 64 64 ALA HA H 64 5.036 5.389 -0.353 1
1 765 . 1 1 1 A 64 64 ALA C C 64 173.825 175.560 -1.735 1
1 766 . 1 1 1 A 64 64 ALA CA C 64 49.059 50.139 -1.080 1
1 767 . 1 1 1 A 64 64 ALA CB C 64 20.323 23.290 -2.967 1
1 768 . 1 1 1 A 64 64 ALA N N 64 128.526 124.612 3.914 1
1 769 . 1 1 1 A 65 65 ILE H H 65 9.451 9.158 0.293 1
1 770 . 1 1 1 A 65 65 ILE HA H 65 4.475 4.792 -0.317 1
1 780 . 1 1 1 A 65 65 ILE C C 65 172.121 175.002 -2.881 1
1 781 . 1 1 1 A 65 65 ILE CA C 65 56.490 59.736 -3.246 1
1 782 . 1 1 1 A 65 65 ILE CB C 65 37.474 41.764 -4.290 1
1 786 . 1 1 1 A 65 65 ILE N N 65 126.677 120.010 6.667 1
1 787 . 1 1 1 A 66 66 ASP H H 66 9.165 8.843 0.322 1
1 788 . 1 1 1 A 66 66 ASP HA H 66 4.045 4.706 -0.661 1
1 791 . 1 1 1 A 66 66 ASP C C 66 174.663 176.497 -1.834 1
1 792 . 1 1 1 A 66 66 ASP CA C 66 54.199 54.381 -0.182 1
1 793 . 1 1 1 A 66 66 ASP CB C 66 42.211 41.317 0.894 1
1 794 . 1 1 1 A 66 66 ASP N N 66 128.723 124.573 4.150 1
1 795 . 1 1 1 A 67 67 TYR H H 67 8.919 8.732 0.187 1
1 796 . 1 1 1 A 67 67 TYR HA H 67 4.344 4.162 0.182 1
1 801 . 1 1 1 A 67 67 TYR C C 67 173.257 177.132 -3.875 1
1 802 . 1 1 1 A 67 67 TYR CA C 67 59.614 61.798 -2.184 1
1 803 . 1 1 1 A 67 67 TYR CB C 67 39.338 38.885 0.453 1
1 806 . 1 1 1 A 67 67 TYR N N 67 127.739 121.430 6.309 1
1 807 . 1 1 1 A 68 68 ARG H H 68 9.459 8.482 0.977 1
1 808 . 1 1 1 A 68 68 ARG HA H 68 3.923 3.947 -0.024 1
1 815 . 1 1 1 A 68 68 ARG C C 68 174.150 177.146 -2.996 1
1 816 . 1 1 1 A 68 68 ARG CA C 68 57.691 58.315 -0.624 1
1 817 . 1 1 1 A 68 68 ARG CB C 68 27.945 29.596 -1.651 1
1 820 . 1 1 1 A 68 68 ARG N N 68 121.666 118.065 3.601 1
1 821 . 1 1 1 A 69 69 HIS H H 69 8.146 7.841 0.305 1
1 822 . 1 1 1 A 69 69 HIS HA H 69 4.538 4.470 0.068 1
1 826 . 1 1 1 A 69 69 HIS C C 69 171.391 174.906 -3.515 1
1 827 . 1 1 1 A 69 69 HIS CA C 69 55.405 56.366 -0.961 1
1 828 . 1 1 1 A 69 69 HIS CB C 69 29.458 29.503 -0.045 1
1 830 . 1 1 1 A 69 69 HIS N N 69 117.372 116.872 0.500 1
1 831 . 1 1 1 A 70 70 TYR H H 70 7.468 7.359 0.109 1
1 832 . 1 1 1 A 70 70 TYR HA H 70 3.431 3.706 -0.275 1
1 839 . 1 1 1 A 70 70 TYR C C 70 171.904 174.187 -2.283 1
1 840 . 1 1 1 A 70 70 TYR CA C 70 60.020 55.559 4.461 1
1 841 . 1 1 1 A 70 70 TYR CB C 70 37.554 36.406 1.148 1
1 846 . 1 1 1 A 70 70 TYR N N 70 121.636 121.957 -0.321 1
1 847 . 1 1 1 A 71 71 SER H H 71 5.657 9.137 -3.480 1
1 848 . 1 1 1 A 71 71 SER HA H 71 3.958 4.454 -0.496 1
1 851 . 1 1 1 A 71 71 SER C C 71 170.390 175.470 -5.080 1
1 852 . 1 1 1 A 71 71 SER CA C 71 55.267 58.052 -2.785 1
1 853 . 1 1 1 A 71 71 SER CB C 71 64.410 63.929 0.481 1
1 854 . 1 1 1 A 71 71 SER N N 71 120.240 123.273 -3.033 1
1 855 . 1 1 1 A 72 72 ALA H H 72 8.461 8.898 -0.437 1
1 856 . 1 1 1 A 72 72 ALA HA H 72 3.757 3.974 -0.217 1
1 860 . 1 1 1 A 72 72 ALA CA C 72 54.250 54.272 -0.022 1
1 861 . 1 1 1 A 72 72 ALA CB C 72 17.423 18.321 -0.898 1
1 862 . 1 1 1 A 72 72 ALA N N 72 123.497 129.450 -5.953 1
1 863 . 1 1 1 A 73 73 SER HA H 73 3.904 3.914 -0.010 1
1 866 . 1 1 1 A 73 73 SER C C 73 172.500 175.881 -3.381 1
1 867 . 1 1 1 A 73 73 SER CA C 73 59.873 62.355 -2.482 1
1 868 . 1 1 1 A 73 73 SER CB C 73 61.769 62.611 -0.842 1
1 869 . 1 1 1 A 74 74 PHE H H 74 7.508 7.614 -0.106 1
1 870 . 1 1 1 A 74 74 PHE HA H 74 5.163 4.724 0.439 1
1 877 . 1 1 1 A 74 74 PHE C C 74 173.987 176.204 -2.217 1
1 878 . 1 1 1 A 74 74 PHE CA C 74 53.320 58.386 -5.066 1
1 879 . 1 1 1 A 74 74 PHE CB C 74 37.854 38.663 -0.809 1
1 884 . 1 1 1 A 74 74 PHE N N 74 118.853 117.533 1.320 1
1 885 . 1 1 1 A 75 75 LYS H H 75 7.245 7.698 -0.453 1
1 886 . 1 1 1 A 75 75 LYS HA H 75 4.200 4.045 0.155 1
1 895 . 1 1 1 A 75 75 LYS C C 75 173.717 177.696 -3.979 1
1 896 . 1 1 1 A 75 75 LYS CA C 75 59.003 59.964 -0.961 1
1 897 . 1 1 1 A 75 75 LYS CB C 75 31.846 32.331 -0.485 1
1 901 . 1 1 1 A 75 75 LYS N N 75 121.129 122.970 -1.841 1
1 902 . 1 1 1 A 76 76 LYS H H 76 7.841 7.526 0.315 1
1 903 . 1 1 1 A 76 76 LYS HA H 76 3.738 2.588 1.150 1
1 912 . 1 1 1 A 76 76 LYS C C 76 170.200 175.862 -5.662 1
1 913 . 1 1 1 A 76 76 LYS CA C 76 55.114 54.854 0.260 1
1 914 . 1 1 1 A 76 76 LYS CB C 76 32.393 31.673 0.720 1
1 918 . 1 1 1 A 76 76 LYS N N 76 114.423 116.410 -1.987 1
1 919 . 1 1 1 A 77 77 GLY H H 77 7.239 7.631 -0.392 1
1 920 . 1 1 1 A 77 77 GLY HA2 H 77 3.737 3.998 -0.261 1
1 921 . 1 1 1 A 77 77 GLY HA3 H 77 4.771 4.017 0.754 1
1 922 . 1 1 1 A 77 77 GLY C C 77 170.795 172.454 -1.659 1
1 923 . 1 1 1 A 77 77 GLY CA C 77 43.770 44.425 -0.655 1
1 924 . 1 1 1 A 77 77 GLY N N 77 103.318 106.523 -3.205 1
1 925 . 1 1 1 A 78 78 ALA H H 78 6.868 8.087 -1.219 1
1 926 . 1 1 1 A 78 78 ALA HA H 78 4.982 5.108 -0.126 1
1 930 . 1 1 1 A 78 78 ALA C C 78 171.904 175.394 -3.490 1
1 931 . 1 1 1 A 78 78 ALA CA C 78 49.907 51.261 -1.354 1
1 932 . 1 1 1 A 78 78 ALA CB C 78 22.601 23.398 -0.797 1
1 933 . 1 1 1 A 78 78 ALA N N 78 117.057 120.429 -3.372 1
1 934 . 1 1 1 A 79 79 LYS H H 79 8.765 8.968 -0.203 1
1 935 . 1 1 1 A 79 79 LYS HA H 79 4.636 4.966 -0.330 1
1 944 . 1 1 1 A 79 79 LYS C C 79 171.039 174.346 -3.307 1
1 945 . 1 1 1 A 79 79 LYS CA C 79 54.485 54.563 -0.078 1
1 946 . 1 1 1 A 79 79 LYS CB C 79 35.963 36.014 -0.051 1
1 950 . 1 1 1 A 79 79 LYS N N 79 117.018 115.900 1.118 1
1 951 . 1 1 1 A 80 80 LEU H H 80 8.782 9.059 -0.277 1
1 952 . 1 1 1 A 80 80 LEU HA H 80 4.459 4.421 0.038 1
1 962 . 1 1 1 A 80 80 LEU C C 80 173.095 178.011 -4.916 1
1 963 . 1 1 1 A 80 80 LEU CA C 80 52.743 53.514 -0.771 1
1 964 . 1 1 1 A 80 80 LEU CB C 80 42.494 44.218 -1.724 1
1 968 . 1 1 1 A 80 80 LEU N N 80 122.496 123.341 -0.845 1
1 969 . 1 1 1 A 81 81 LEU H H 81 8.636 8.686 -0.050 1
1 970 . 1 1 1 A 81 81 LEU HA H 81 3.578 4.001 -0.423 1
1 980 . 1 1 1 A 81 81 LEU CA C 81 57.316 58.801 -1.485 1
1 981 . 1 1 1 A 81 81 LEU CB C 81 39.032 42.126 -3.094 1
1 985 . 1 1 1 A 81 81 LEU N N 81 125.060 126.513 -1.453 1
1 986 . 1 1 1 A 82 82 HIS H H 82 8.379 7.735 0.644 1
1 987 . 1 1 1 A 82 82 HIS HA H 82 4.551 4.809 -0.258 1
1 992 . 1 1 1 A 82 82 HIS C C 82 172.635 173.758 -1.123 1
1 993 . 1 1 1 A 82 82 HIS CA C 82 55.432 55.118 0.314 1
1 994 . 1 1 1 A 82 82 HIS CB C 82 29.646 31.698 -2.052 1
1 997 . 1 1 1 A 82 82 HIS N N 82 114.387 111.690 2.697 1
1 998 . 1 1 1 A 83 83 LYS H H 83 8.023 7.696 0.327 1
1 999 . 1 1 1 A 83 83 LYS HA H 83 4.670 4.482 0.188 1
1 1008 . 1 1 1 A 83 83 LYS CA C 83 52.041 52.913 -0.872 1
1 1009 . 1 1 1 A 83 83 LYS CB C 83 32.741 33.344 -0.603 1
1 1013 . 1 1 1 A 83 83 LYS N N 83 122.886 120.500 2.386 1
1 1014 . 1 1 1 A 84 84 PRO HA H 84 4.585 4.662 -0.077 1
1 1021 . 1 1 1 A 84 84 PRO C C 84 172.797 176.259 -3.462 1
1 1022 . 1 1 1 A 84 84 PRO CA C 84 62.050 62.415 -0.365 1
1 1023 . 1 1 1 A 84 84 PRO CB C 84 32.770 32.792 -0.022 1
1 1026 . 1 1 1 A 85 85 ILE H H 85 6.185 7.786 -1.601 1
1 1027 . 1 1 1 A 85 85 ILE HA H 85 5.743 5.477 0.266 1
1 1037 . 1 1 1 A 85 85 ILE C C 85 174.366 173.979 0.387 1
1 1038 . 1 1 1 A 85 85 ILE CA C 85 57.032 58.532 -1.500 1
1 1039 . 1 1 1 A 85 85 ILE CB C 85 41.265 42.234 -0.969 1
1 1043 . 1 1 1 A 85 85 ILE N N 85 107.777 115.833 -8.056 1
1 1044 . 1 1 1 A 86 86 VAL H H 86 7.552 8.725 -1.173 1
1 1045 . 1 1 1 A 86 86 VAL HA H 86 4.278 4.714 -0.436 1
1 1053 . 1 1 1 A 86 86 VAL CA C 86 59.345 58.601 0.744 1
1 1054 . 1 1 1 A 86 86 VAL CB C 86 34.990 35.855 -0.865 1
1 1057 . 1 1 1 A 86 86 VAL N N 86 109.584 116.253 -6.669 1
1 1058 . 1 1 1 A 87 87 TRP H H 87 10.036 8.636 1.400 1
1 1059 . 1 1 1 A 87 87 TRP HA H 87 6.158 5.646 0.512 1
1 1068 . 1 1 1 A 87 87 TRP C C 87 174.393 176.528 -2.135 1
1 1069 . 1 1 1 A 87 87 TRP CA C 87 55.238 56.005 -0.767 1
1 1070 . 1 1 1 A 87 87 TRP CB C 87 32.786 30.677 2.109 1
1 1076 . 1 1 1 A 87 87 TRP N N 87 122.256 123.003 -0.747 1
1 1078 . 1 1 1 A 88 88 HIS H H 88 8.802 9.194 -0.392 1
1 1079 . 1 1 1 A 88 88 HIS HA H 88 5.383 6.119 -0.736 1
1 1085 . 1 1 1 A 88 88 HIS CA C 88 53.902 54.050 -0.148 1
1 1086 . 1 1 1 A 88 88 HIS CB C 88 37.553 33.032 4.521 1
1 1089 . 1 1 1 A 88 88 HIS N N 88 116.636 118.531 -1.895 1
1 1090 . 1 1 1 A 89 89 ILE H H 89 9.197 8.549 0.648 1
1 1091 . 1 1 1 A 89 89 ILE HA H 89 4.022 4.207 -0.185 1
1 1101 . 1 1 1 A 89 89 ILE C C 89 174.582 176.097 -1.515 1
1 1102 . 1 1 1 A 89 89 ILE CA C 89 61.042 60.063 0.979 1
1 1103 . 1 1 1 A 89 89 ILE CB C 89 40.176 40.469 -0.293 1
1 1107 . 1 1 1 A 89 89 ILE N N 89 118.669 120.084 -1.415 1
1 1108 . 1 1 1 A 90 90 ASN H H 90 9.688 8.954 0.734 1
1 1109 . 1 1 1 A 90 90 ASN HA H 90 4.281 4.327 -0.046 1
1 1114 . 1 1 1 A 90 90 ASN C C 90 171.418 174.138 -2.720 1
1 1115 . 1 1 1 A 90 90 ASN CA C 90 53.724 53.889 -0.165 1
1 1116 . 1 1 1 A 90 90 ASN CB C 90 36.919 36.060 0.859 1
1 1117 . 1 1 1 A 90 90 ASN N N 90 128.710 125.560 3.150 1
1 1119 . 1 1 1 A 91 91 GLN H H 91 10.928 8.338 2.590 1
1 1120 . 1 1 1 A 91 91 GLN HA H 91 2.586 3.062 -0.476 1
1 1127 . 1 1 1 A 91 91 GLN C C 91 170.146 174.266 -4.120 1
1 1128 . 1 1 1 A 91 91 GLN CA C 91 55.444 56.952 -1.508 1
1 1129 . 1 1 1 A 91 91 GLN CB C 91 23.948 26.715 -2.767 1
1 1131 . 1 1 1 A 91 91 GLN N N 91 112.871 111.665 1.206 1
1 1133 . 1 1 1 A 92 92 ALA H H 92 7.692 7.762 -0.070 1
1 1134 . 1 1 1 A 92 92 ALA HA H 92 4.979 5.366 -0.387 1
1 1138 . 1 1 1 A 92 92 ALA C C 92 174.068 175.361 -1.293 1
1 1139 . 1 1 1 A 92 92 ALA CA C 92 49.792 51.169 -1.377 1
1 1140 . 1 1 1 A 92 92 ALA CB C 92 21.832 23.167 -1.335 1
1 1141 . 1 1 1 A 92 92 ALA N N 92 118.287 120.323 -2.036 1
1 1142 . 1 1 1 A 93 93 THR H H 93 9.026 8.909 0.117 1
1 1143 . 1 1 1 A 93 93 THR HA H 93 5.281 5.257 0.024 1
1 1148 . 1 1 1 A 93 93 THR C C 93 170.768 173.747 -2.979 1
1 1149 . 1 1 1 A 93 93 THR CA C 93 58.597 60.363 -1.766 1
1 1150 . 1 1 1 A 93 93 THR CB C 93 70.855 71.355 -0.500 1
1 1152 . 1 1 1 A 93 93 THR N N 93 114.894 113.719 1.175 1
1 1153 . 1 1 1 A 94 94 THR H H 94 8.292 8.680 -0.388 1
1 1154 . 1 1 1 A 94 94 THR HA H 94 4.903 4.991 -0.088 1
1 1159 . 1 1 1 A 94 94 THR CA C 94 58.800 59.285 -0.485 1
1 1160 . 1 1 1 A 94 94 THR CB C 94 71.488 72.124 -0.636 1
1 1162 . 1 1 1 A 94 94 THR N N 94 119.907 117.763 2.144 1
1 1163 . 1 1 1 A 95 95 LYS HA H 95 4.056 4.116 -0.060 1
1 1172 . 1 1 1 A 95 95 LYS CA C 95 59.376 60.164 -0.788 1
1 1173 . 1 1 1 A 95 95 LYS CB C 95 31.083 32.075 -0.992 1
1 1177 . 1 1 1 A 96 96 THR H H 96 7.773 8.028 -0.255 1
1 1178 . 1 1 1 A 96 96 THR HA H 96 3.798 4.051 -0.253 1
1 1183 . 1 1 1 A 96 96 THR C C 96 171.850 176.576 -4.726 1
1 1184 . 1 1 1 A 96 96 THR CA C 96 64.506 66.778 -2.272 1
1 1185 . 1 1 1 A 96 96 THR CB C 96 68.405 68.918 -0.513 1
1 1187 . 1 1 1 A 96 96 THR N N 96 113.841 116.105 -2.264 1
1 1188 . 1 1 1 A 97 97 THR H H 97 6.795 7.690 -0.895 1
1 1189 . 1 1 1 A 97 97 THR HA H 97 3.604 4.441 -0.837 1
1 1194 . 1 1 1 A 97 97 THR C C 97 171.959 176.459 -4.500 1
1 1195 . 1 1 1 A 97 97 THR CA C 97 61.209 63.707 -2.498 1
1 1196 . 1 1 1 A 97 97 THR CB C 97 67.962 69.219 -1.257 1
1 1198 . 1 1 1 A 97 97 THR N N 97 105.731 110.363 -4.632 1
1 1199 . 1 1 1 A 98 98 PHE H H 98 7.410 8.275 -0.865 1
1 1200 . 1 1 1 A 98 98 PHE HA H 98 4.220 4.148 0.072 1
1 1207 . 1 1 1 A 98 98 PHE C C 98 174.528 177.580 -3.052 1
1 1208 . 1 1 1 A 98 98 PHE CA C 98 61.879 61.585 0.294 1
1 1209 . 1 1 1 A 98 98 PHE CB C 98 38.875 38.992 -0.117 1
1 1214 . 1 1 1 A 98 98 PHE N N 98 126.402 123.839 2.563 1
1 1215 . 1 1 1 A 99 99 LYS H H 99 9.459 8.156 1.303 1
1 1216 . 1 1 1 A 99 99 LYS HA H 99 4.089 3.398 0.691 1
1 1225 . 1 1 1 A 99 99 LYS CA C 99 60.763 61.208 -0.445 1
1 1226 . 1 1 1 A 99 99 LYS CB C 99 28.635 31.018 -2.383 1
1 1230 . 1 1 1 A 99 99 LYS N N 99 121.490 117.788 3.702 1
1 1231 . 1 1 1 A 100 100 PRO HA H 100 4.922 4.572 0.350 1
1 1238 . 1 1 1 A 100 100 PRO C C 100 177.314 179.156 -1.842 1
1 1239 . 1 1 1 A 100 100 PRO CA C 100 66.173 65.609 0.564 1
1 1240 . 1 1 1 A 100 100 PRO CB C 100 31.535 30.618 0.917 1
1 1243 . 1 1 1 A 101 101 ASN H H 101 8.530 8.268 0.262 1
1 1244 . 1 1 1 A 101 101 ASN HA H 101 5.244 4.497 0.747 1
1 1249 . 1 1 1 A 101 101 ASN C C 101 175.204 177.980 -2.776 1
1 1250 . 1 1 1 A 101 101 ASN CA C 101 54.555 56.143 -1.588 1
1 1251 . 1 1 1 A 101 101 ASN CB C 101 36.187 37.966 -1.779 1
1 1252 . 1 1 1 A 101 101 ASN N N 101 115.238 115.611 -0.373 1
1 1254 . 1 1 1 A 102 102 THR H H 102 8.488 7.889 0.599 1
1 1255 . 1 1 1 A 102 102 THR HA H 102 4.184 3.996 0.188 1
1 1260 . 1 1 1 A 102 102 THR C C 102 171.472 176.863 -5.391 1
1 1261 . 1 1 1 A 102 102 THR CA C 102 67.543 65.528 2.015 1
1 1262 . 1 1 1 A 102 102 THR CB C 102 67.001 68.182 -1.181 1
1 1264 . 1 1 1 A 102 102 THR N N 102 120.254 112.029 8.225 1
1 1265 . 1 1 1 A 103 103 TRP H H 103 7.283 7.672 -0.389 1
1 1266 . 1 1 1 A 103 103 TRP HA H 103 3.986 4.359 -0.373 1
1 1275 . 1 1 1 A 103 103 TRP C C 103 175.800 178.592 -2.792 1
1 1276 . 1 1 1 A 103 103 TRP CA C 103 60.856 59.949 0.907 1
1 1277 . 1 1 1 A 103 103 TRP CB C 103 27.948 28.857 -0.909 1
1 1283 . 1 1 1 A 103 103 TRP N N 103 121.763 121.300 0.463 1
1 1285 . 1 1 1 A 104 104 CYS H H 104 8.233 7.947 0.286 1
1 1286 . 1 1 1 A 104 104 CYS HA H 104 4.272 4.022 0.250 1
1 1289 . 1 1 1 A 104 104 CYS C C 104 176.259 177.041 -0.782 1
1 1290 . 1 1 1 A 104 104 CYS CA C 104 65.226 62.298 2.928 1
1 1291 . 1 1 1 A 104 104 CYS CB C 104 26.949 26.812 0.137 1
1 1292 . 1 1 1 A 104 104 CYS N N 104 118.046 118.497 -0.451 1
1 1293 . 1 1 1 A 105 105 LEU H H 105 8.726 7.827 0.899 1
1 1294 . 1 1 1 A 105 105 LEU HA H 105 4.000 3.997 0.003 1
1 1304 . 1 1 1 A 105 105 LEU C C 105 176.205 178.749 -2.544 1
1 1305 . 1 1 1 A 105 105 LEU CA C 105 57.810 57.831 -0.021 1
1 1306 . 1 1 1 A 105 105 LEU CB C 105 40.484 41.359 -0.875 1
1 1310 . 1 1 1 A 105 105 LEU N N 105 120.557 120.969 -0.412 1
1 1311 . 1 1 1 A 106 106 ARG H H 106 6.990 7.654 -0.664 1
1 1312 . 1 1 1 A 106 106 ARG HA H 106 2.054 2.661 -0.607 1
1 1319 . 1 1 1 A 106 106 ARG C C 106 177.179 177.211 -0.032 1
1 1320 . 1 1 1 A 106 106 ARG CA C 106 57.405 57.771 -0.366 1
1 1321 . 1 1 1 A 106 106 ARG CB C 106 29.269 29.350 -0.081 1
1 1324 . 1 1 1 A 106 106 ARG N N 106 118.050 117.813 0.237 1
1 1325 . 1 1 1 A 107 107 CYS H H 107 7.623 7.666 -0.043 1
1 1326 . 1 1 1 A 107 107 CYS HA H 107 4.031 4.464 -0.433 1
1 1329 . 1 1 1 A 107 107 CYS C C 107 172.337 176.231 -3.894 1
1 1330 . 1 1 1 A 107 107 CYS CA C 107 63.291 62.748 0.543 1
1 1331 . 1 1 1 A 107 107 CYS CB C 107 26.214 27.936 -1.722 1
1 1332 . 1 1 1 A 107 107 CYS N N 107 117.028 117.582 -0.554 1
1 1333 . 1 1 1 A 108 108 LEU H H 108 7.484 7.456 0.028 1
1 1334 . 1 1 1 A 108 108 LEU HA H 108 4.159 4.238 -0.079 1
1 1344 . 1 1 1 A 108 108 LEU C C 108 174.582 177.368 -2.786 1
1 1345 . 1 1 1 A 108 108 LEU CA C 108 54.203 56.052 -1.849 1
1 1346 . 1 1 1 A 108 108 LEU CB C 108 41.621 42.362 -0.741 1
1 1350 . 1 1 1 A 108 108 LEU N N 108 117.680 118.317 -0.637 1
1 1351 . 1 1 1 A 109 109 TRP H H 109 7.427 7.796 -0.369 1
1 1352 . 1 1 1 A 109 109 TRP HA H 109 4.828 5.040 -0.212 1
1 1361 . 1 1 1 A 109 109 TRP C C 109 173.176 176.792 -3.616 1
1 1362 . 1 1 1 A 109 109 TRP CA C 109 56.353 58.085 -1.732 1
1 1363 . 1 1 1 A 109 109 TRP CB C 109 29.743 30.357 -0.614 1
1 1369 . 1 1 1 A 109 109 TRP N N 109 119.087 120.929 -1.842 1
1 1371 . 1 1 1 A 110 110 SER H H 110 8.199 9.007 -0.808 1
1 1372 . 1 1 1 A 110 110 SER HA H 110 4.688 5.353 -0.665 1
1 1375 . 1 1 1 A 110 110 SER C C 110 171.769 172.359 -0.590 1
1 1376 . 1 1 1 A 110 110 SER CA C 110 56.324 57.556 -1.232 1
1 1377 . 1 1 1 A 110 110 SER CB C 110 64.513 66.969 -2.456 1
1 1378 . 1 1 1 A 110 110 SER N N 110 115.602 115.370 0.232 1
1 1379 . 1 1 1 A 111 111 THR H H 111 8.268 8.640 -0.372 1
1 1380 . 1 1 1 A 111 111 THR HA H 111 4.425 4.977 -0.552 1
1 1385 . 1 1 1 A 111 111 THR C C 111 171.526 173.434 -1.908 1
1 1386 . 1 1 1 A 111 111 THR CA C 111 60.861 61.011 -0.150 1
1 1387 . 1 1 1 A 111 111 THR CB C 111 69.202 68.930 0.272 1
1 1389 . 1 1 1 A 111 111 THR N N 111 114.394 114.927 -0.533 1
1 1390 . 1 1 1 A 112 112 LYS H H 112 8.240 7.966 0.274 1
1 1391 . 1 1 1 A 112 112 LYS HA H 112 4.530 4.712 -0.182 1
1 1400 . 1 1 1 A 112 112 LYS CA C 112 53.768 53.318 0.450 1
1 1401 . 1 1 1 A 112 112 LYS CB C 112 32.067 35.122 -3.055 1
1 1405 . 1 1 1 A 112 112 LYS N N 112 125.207 127.044 -1.837 1
1 1406 . 1 1 1 A 113 113 PRO HA H 113 4.380 4.705 -0.325 1
1 1413 . 1 1 1 A 113 113 PRO C C 113 174.095 176.011 -1.916 1
1 1414 . 1 1 1 A 113 113 PRO CA C 113 62.381 62.433 -0.052 1
1 1415 . 1 1 1 A 113 113 PRO CB C 113 31.408 32.722 -1.314 1
1 1418 . 1 1 1 A 114 114 VAL H H 114 8.195 8.099 0.096 1
1 1419 . 1 1 1 A 114 114 VAL HA H 114 4.029 4.453 -0.424 1
1 1427 . 1 1 1 A 114 114 VAL C C 114 173.122 176.320 -3.198 1
1 1428 . 1 1 1 A 114 114 VAL CA C 114 61.335 60.743 0.592 1
1 1429 . 1 1 1 A 114 114 VAL CB C 114 32.153 31.563 0.590 1
1 1432 . 1 1 1 A 114 114 VAL N N 114 120.113 115.164 4.949 1
1 1433 . 1 1 1 A 115 115 ASP H H 115 8.345 7.925 0.420 1
1 1434 . 1 1 1 A 115 115 ASP HA H 115 4.592 4.596 -0.004 1
1 1437 . 1 1 1 A 115 115 ASP C C 115 172.608 176.863 -4.255 1
1 1438 . 1 1 1 A 115 115 ASP CA C 115 53.202 55.278 -2.076 1
1 1439 . 1 1 1 A 115 115 ASP CB C 115 40.552 40.122 0.430 1
1 1440 . 1 1 1 A 115 115 ASP N N 115 123.853 122.235 1.618 1
1 1 . 2 1 1 A 2 2 TYR HA H 2 4.617 4.444 0.173 1
1 7 . 2 1 1 A 2 2 TYR C C 2 172.716 175.718 -3.002 1
1 8 . 2 1 1 A 2 2 TYR CA C 2 56.943 59.724 -2.781 1
1 9 . 2 1 1 A 2 2 TYR CB C 2 38.050 39.129 -1.079 1
1 14 . 2 1 1 A 2 2 TYR N N 2 121.461 121.979 -0.518 1
1 15 . 2 1 1 A 3 3 THR H H 3 7.984 8.669 -0.685 1
1 16 . 2 1 1 A 3 3 THR HA H 3 4.684 4.505 0.179 1
1 21 . 2 1 1 A 3 3 THR C C 3 170.931 173.855 -2.924 1
1 22 . 2 1 1 A 3 3 THR CA C 3 60.870 61.237 -0.367 1
1 23 . 2 1 1 A 3 3 THR CB C 3 69.270 69.716 -0.446 1
1 25 . 2 1 1 A 3 3 THR N N 3 117.624 122.203 -4.579 1
1 26 . 2 1 1 A 4 4 GLU H H 4 8.290 7.398 0.892 1
1 27 . 2 1 1 A 4 4 GLU HA H 4 4.183 4.405 -0.222 1
1 32 . 2 1 1 A 4 4 GLU C C 4 173.013 176.184 -3.171 1
1 33 . 2 1 1 A 4 4 GLU CA C 4 55.876 55.440 0.436 1
1 34 . 2 1 1 A 4 4 GLU CB C 4 29.779 31.060 -1.281 1
1 36 . 2 1 1 A 4 4 GLU N N 4 123.377 123.467 -0.090 1
1 37 . 2 1 1 A 5 5 GLN H H 5 8.329 8.445 -0.116 1
1 38 . 2 1 1 A 5 5 GLN HA H 5 4.392 4.416 -0.024 1
1 43 . 2 1 1 A 5 5 GLN CA C 5 52.634 54.441 -1.807 1
1 44 . 2 1 1 A 5 5 GLN CB C 5 28.759 28.013 0.746 1
1 46 . 2 1 1 A 5 5 GLN N N 5 122.599 122.609 -0.010 1
1 47 . 2 1 1 A 6 6 PRO HA H 6 4.323 4.501 -0.178 1
1 54 . 2 1 1 A 6 6 PRO C C 6 173.636 176.309 -2.673 1
1 55 . 2 1 1 A 6 6 PRO CA C 6 62.080 62.185 -0.105 1
1 56 . 2 1 1 A 6 6 PRO CB C 6 30.785 32.302 -1.517 1
1 59 . 2 1 1 A 7 7 ILE H H 7 8.160 8.553 -0.393 1
1 60 . 2 1 1 A 7 7 ILE HA H 7 3.871 4.064 -0.193 1
1 70 . 2 1 1 A 7 7 ILE C C 7 172.770 176.208 -3.438 1
1 71 . 2 1 1 A 7 7 ILE CA C 7 60.589 60.822 -0.233 1
1 72 . 2 1 1 A 7 7 ILE CB C 7 38.318 36.409 1.909 1
1 76 . 2 1 1 A 7 7 ILE N N 7 121.913 121.572 0.341 1
1 77 . 2 1 1 A 8 8 ASP H H 8 8.126 8.831 -0.705 1
1 78 . 2 1 1 A 8 8 ASP HA H 8 4.584 4.117 0.467 1
1 81 . 2 1 1 A 8 8 ASP C C 8 171.742 174.986 -3.244 1
1 82 . 2 1 1 A 8 8 ASP CA C 8 53.265 55.338 -2.073 1
1 83 . 2 1 1 A 8 8 ASP CB C 8 39.521 39.852 -0.331 1
1 84 . 2 1 1 A 8 8 ASP N N 8 124.858 125.739 -0.881 1
1 85 . 2 1 1 A 9 9 LEU H H 9 7.374 7.772 -0.398 1
1 86 . 2 1 1 A 9 9 LEU HA H 9 4.506 4.426 0.080 1
1 96 . 2 1 1 A 9 9 LEU C C 9 174.041 175.459 -1.418 1
1 97 . 2 1 1 A 9 9 LEU CA C 9 53.779 54.280 -0.501 1
1 98 . 2 1 1 A 9 9 LEU CB C 9 43.411 43.472 -0.061 1
1 102 . 2 1 1 A 9 9 LEU N N 9 122.151 119.331 2.820 1
1 103 . 2 1 1 A 10 10 VAL H H 10 8.827 8.465 0.362 1
1 104 . 2 1 1 A 10 10 VAL HA H 10 4.841 5.013 -0.172 1
1 112 . 2 1 1 A 10 10 VAL CA C 10 57.706 58.146 -0.440 1
1 113 . 2 1 1 A 10 10 VAL CB C 10 33.895 34.852 -0.957 1
1 116 . 2 1 1 A 10 10 VAL N N 10 120.738 118.791 1.947 1
1 117 . 2 1 1 A 11 11 PRO HA H 11 4.766 4.871 -0.105 1
1 124 . 2 1 1 A 11 11 PRO C C 11 173.149 175.069 -1.920 1
1 125 . 2 1 1 A 11 11 PRO CA C 11 62.417 62.774 -0.357 1
1 126 . 2 1 1 A 11 11 PRO CB C 11 32.119 33.607 -1.488 1
1 129 . 2 1 1 A 12 12 THR H H 12 7.408 8.432 -1.024 1
1 130 . 2 1 1 A 12 12 THR HA H 12 4.280 4.816 -0.536 1
1 135 . 2 1 1 A 12 12 THR C C 12 166.981 172.058 -5.077 1
1 136 . 2 1 1 A 12 12 THR CA C 12 59.142 60.097 -0.955 1
1 137 . 2 1 1 A 12 12 THR CB C 12 68.812 70.022 -1.210 1
1 139 . 2 1 1 A 12 12 THR N N 12 115.177 116.077 -0.900 1
1 140 . 2 1 1 A 13 13 GLN H H 13 7.953 8.695 -0.742 1
1 141 . 2 1 1 A 13 13 GLN HA H 13 5.073 4.886 0.187 1
1 146 . 2 1 1 A 13 13 GLN CA C 13 52.836 52.541 0.295 1
1 147 . 2 1 1 A 13 13 GLN CB C 13 28.566 32.096 -3.530 1
1 149 . 2 1 1 A 13 13 GLN N N 13 113.324 121.005 -7.681 1
1 150 . 2 1 1 A 14 14 PRO HA H 14 4.340 4.667 -0.327 1
1 157 . 2 1 1 A 14 14 PRO C C 14 173.392 176.803 -3.411 1
1 158 . 2 1 1 A 14 14 PRO CA C 14 62.498 62.644 -0.146 1
1 159 . 2 1 1 A 14 14 PRO CB C 14 31.565 32.407 -0.842 1
1 162 . 2 1 1 A 15 15 LEU H H 15 8.764 8.405 0.359 1
1 163 . 2 1 1 A 15 15 LEU HA H 15 4.511 4.795 -0.284 1
1 173 . 2 1 1 A 15 15 LEU CA C 15 52.597 52.736 -0.139 1
1 174 . 2 1 1 A 15 15 LEU CB C 15 40.769 42.587 -1.818 1
1 178 . 2 1 1 A 15 15 LEU N N 15 124.665 118.668 5.997 1
1 179 . 2 1 1 A 16 16 PRO HA H 16 4.325 4.461 -0.136 1
1 186 . 2 1 1 A 16 16 PRO CA C 16 63.358 63.214 0.144 1
1 187 . 2 1 1 A 16 16 PRO CB C 16 31.187 32.416 -1.229 1
1 190 . 2 1 1 A 17 17 ASN H H 17 8.682 9.023 -0.341 1
1 191 . 2 1 1 A 17 17 ASN HA H 17 4.586 4.366 0.220 1
1 196 . 2 1 1 A 17 17 ASN C C 17 174.691 174.567 0.124 1
1 197 . 2 1 1 A 17 17 ASN CA C 17 52.745 55.101 -2.356 1
1 198 . 2 1 1 A 17 17 ASN CB C 17 36.762 36.618 0.144 1
1 199 . 2 1 1 A 17 17 ASN N N 17 114.315 114.152 0.163 1
1 201 . 2 1 1 A 18 18 ALA H H 18 7.283 7.997 -0.714 1
1 202 . 2 1 1 A 18 18 ALA HA H 18 4.569 4.373 0.196 1
1 206 . 2 1 1 A 18 18 ALA C C 18 174.041 176.953 -2.912 1
1 207 . 2 1 1 A 18 18 ALA CA C 18 51.618 53.246 -1.628 1
1 208 . 2 1 1 A 18 18 ALA CB C 18 20.698 19.762 0.936 1
1 209 . 2 1 1 A 18 18 ALA N N 18 121.620 123.485 -1.865 1
1 210 . 2 1 1 A 19 19 SER H H 19 8.744 8.976 -0.232 1
1 211 . 2 1 1 A 19 19 SER HA H 19 4.479 4.113 0.366 1
1 214 . 2 1 1 A 19 19 SER C C 19 169.984 172.107 -2.123 1
1 215 . 2 1 1 A 19 19 SER CA C 19 56.634 56.710 -0.076 1
1 216 . 2 1 1 A 19 19 SER CB C 19 65.044 65.975 -0.931 1
1 217 . 2 1 1 A 19 19 SER N N 19 113.995 116.013 -2.018 1
1 218 . 2 1 1 A 20 20 PHE H H 20 7.753 7.747 0.006 1
1 219 . 2 1 1 A 20 20 PHE HA H 20 3.514 4.400 -0.886 1
1 226 . 2 1 1 A 20 20 PHE C C 20 172.635 174.530 -1.895 1
1 227 . 2 1 1 A 20 20 PHE CA C 20 58.070 58.847 -0.777 1
1 228 . 2 1 1 A 20 20 PHE CB C 20 37.588 39.495 -1.907 1
1 233 . 2 1 1 A 20 20 PHE N N 20 124.690 122.893 1.797 1
1 234 . 2 1 1 A 21 21 ASP H H 21 8.288 7.655 0.633 1
1 235 . 2 1 1 A 21 21 ASP HA H 21 4.351 4.674 -0.323 1
1 238 . 2 1 1 A 21 21 ASP CA C 21 51.826 52.612 -0.786 1
1 239 . 2 1 1 A 21 21 ASP CB C 21 38.598 44.532 -5.934 1
1 240 . 2 1 1 A 21 21 ASP N N 21 127.080 125.889 1.191 1
1 241 . 2 1 1 A 22 22 ASN HA H 22 3.766 4.672 -0.906 1
1 246 . 2 1 1 A 22 22 ASN C C 22 171.688 174.933 -3.245 1
1 247 . 2 1 1 A 22 22 ASN CA C 22 54.954 53.935 1.019 1
1 248 . 2 1 1 A 22 22 ASN CB C 22 37.641 37.811 -0.170 1
1 250 . 2 1 1 A 23 23 PHE H H 23 5.484 7.338 -1.854 1
1 251 . 2 1 1 A 23 23 PHE HA H 23 4.804 4.446 0.358 1
1 259 . 2 1 1 A 23 23 PHE C C 23 169.768 174.847 -5.079 1
1 260 . 2 1 1 A 23 23 PHE CA C 23 54.649 57.488 -2.839 1
1 261 . 2 1 1 A 23 23 PHE CB C 23 39.850 39.612 0.238 1
1 267 . 2 1 1 A 23 23 PHE N N 23 112.858 117.490 -4.632 1
1 268 . 2 1 1 A 24 24 LYS H H 24 8.329 9.033 -0.704 1
1 269 . 2 1 1 A 24 24 LYS HA H 24 3.719 4.452 -0.733 1
1 278 . 2 1 1 A 24 24 LYS C C 24 171.959 175.956 -3.997 1
1 279 . 2 1 1 A 24 24 LYS CA C 24 53.756 54.787 -1.031 1
1 280 . 2 1 1 A 24 24 LYS CB C 24 36.279 33.441 2.838 1
1 284 . 2 1 1 A 24 24 LYS N N 24 119.724 123.101 -3.377 1
1 285 . 2 1 1 A 25 25 LEU H H 25 9.144 8.463 0.681 1
1 286 . 2 1 1 A 25 25 LEU HA H 25 5.462 5.569 -0.107 1
1 296 . 2 1 1 A 25 25 LEU C C 25 174.609 175.753 -1.144 1
1 297 . 2 1 1 A 25 25 LEU CA C 25 53.208 52.757 0.451 1
1 298 . 2 1 1 A 25 25 LEU CB C 25 41.419 45.798 -4.379 1
1 302 . 2 1 1 A 25 25 LEU N N 25 126.849 121.206 5.643 1
1 303 . 2 1 1 A 26 26 THR H H 26 8.956 9.146 -0.190 1
1 304 . 2 1 1 A 26 26 THR HA H 26 4.471 5.169 -0.698 1
1 309 . 2 1 1 A 26 26 THR C C 26 169.524 173.180 -3.656 1
1 310 . 2 1 1 A 26 26 THR CA C 26 58.769 60.578 -1.809 1
1 311 . 2 1 1 A 26 26 THR CB C 26 69.971 71.523 -1.552 1
1 313 . 2 1 1 A 26 26 THR N N 26 113.907 110.346 3.561 1
1 314 . 2 1 1 A 27 27 CYS H H 27 8.507 8.546 -0.039 1
1 315 . 2 1 1 A 27 27 CYS HA H 27 4.509 4.832 -0.323 1
1 318 . 2 1 1 A 27 27 CYS C C 27 169.984 174.974 -4.990 1
1 319 . 2 1 1 A 27 27 CYS CA C 27 57.948 57.765 0.183 1
1 320 . 2 1 1 A 27 27 CYS CB C 27 29.529 30.566 -1.037 1
1 321 . 2 1 1 A 27 27 CYS N N 27 120.842 120.006 0.836 1
1 322 . 2 1 1 A 28 28 SER H H 28 9.044 8.703 0.341 1
1 323 . 2 1 1 A 28 28 SER HA H 28 4.140 4.233 -0.093 1
1 326 . 2 1 1 A 28 28 SER C C 28 172.716 174.495 -1.779 1
1 327 . 2 1 1 A 28 28 SER CA C 28 60.986 61.848 -0.862 1
1 328 . 2 1 1 A 28 28 SER CB C 28 61.437 62.797 -1.360 1
1 329 . 2 1 1 A 28 28 SER N N 28 124.898 118.682 6.216 1
1 330 . 2 1 1 A 29 29 ASN H H 29 7.825 7.634 0.191 1
1 331 . 2 1 1 A 29 29 ASN HA H 29 4.951 4.828 0.123 1
1 336 . 2 1 1 A 29 29 ASN C C 29 171.688 175.939 -4.251 1
1 337 . 2 1 1 A 29 29 ASN CA C 29 52.155 52.679 -0.524 1
1 338 . 2 1 1 A 29 29 ASN CB C 29 36.980 39.393 -2.413 1
1 339 . 2 1 1 A 29 29 ASN N N 29 121.001 119.634 1.367 1
1 341 . 2 1 1 A 30 30 THR H H 30 8.062 8.698 -0.636 1
1 342 . 2 1 1 A 30 30 THR HA H 30 3.901 4.020 -0.119 1
1 347 . 2 1 1 A 30 30 THR C C 30 173.338 176.706 -3.368 1
1 348 . 2 1 1 A 30 30 THR CA C 30 64.874 66.425 -1.551 1
1 349 . 2 1 1 A 30 30 THR CB C 30 67.715 68.616 -0.901 1
1 351 . 2 1 1 A 30 30 THR N N 30 119.799 119.138 0.661 1
1 352 . 2 1 1 A 31 31 LYS H H 31 8.015 8.253 -0.238 1
1 353 . 2 1 1 A 31 31 LYS HA H 31 4.119 3.926 0.193 1
1 362 . 2 1 1 A 31 31 LYS C C 31 174.231 178.533 -4.302 1
1 363 . 2 1 1 A 31 31 LYS CA C 31 58.286 59.752 -1.466 1
1 364 . 2 1 1 A 31 31 LYS CB C 31 31.547 32.174 -0.627 1
1 368 . 2 1 1 A 31 31 LYS N N 31 122.845 122.253 0.592 1
1 369 . 2 1 1 A 32 32 PHE H H 32 7.739 8.698 -0.959 1
1 370 . 2 1 1 A 32 32 PHE HA H 32 4.652 4.275 0.377 1
1 378 . 2 1 1 A 32 32 PHE C C 32 174.691 177.584 -2.893 1
1 379 . 2 1 1 A 32 32 PHE CA C 32 59.954 61.915 -1.961 1
1 380 . 2 1 1 A 32 32 PHE CB C 32 38.444 39.472 -1.028 1
1 386 . 2 1 1 A 32 32 PHE N N 32 120.100 121.140 -1.040 1
1 387 . 2 1 1 A 33 33 ALA H H 33 6.955 8.025 -1.070 1
1 388 . 2 1 1 A 33 33 ALA HA H 33 3.555 4.092 -0.537 1
1 392 . 2 1 1 A 33 33 ALA C C 33 175.502 179.085 -3.583 1
1 393 . 2 1 1 A 33 33 ALA CA C 33 54.703 54.944 -0.241 1
1 394 . 2 1 1 A 33 33 ALA CB C 33 17.085 18.227 -1.142 1
1 395 . 2 1 1 A 33 33 ALA N N 33 116.140 120.911 -4.771 1
1 396 . 2 1 1 A 34 34 ASP H H 34 8.795 8.502 0.293 1
1 397 . 2 1 1 A 34 34 ASP HA H 34 4.367 4.394 -0.027 1
1 400 . 2 1 1 A 34 34 ASP C C 34 176.854 178.375 -1.521 1
1 401 . 2 1 1 A 34 34 ASP CA C 34 56.911 57.873 -0.962 1
1 402 . 2 1 1 A 34 34 ASP CB C 34 39.495 41.597 -2.102 1
1 403 . 2 1 1 A 34 34 ASP N N 34 118.170 118.793 -0.623 1
1 404 . 2 1 1 A 35 35 ASP H H 35 8.791 8.193 0.598 1
1 405 . 2 1 1 A 35 35 ASP HA H 35 4.360 4.361 -0.001 1
1 408 . 2 1 1 A 35 35 ASP C C 35 177.233 178.693 -1.460 1
1 409 . 2 1 1 A 35 35 ASP CA C 35 56.890 57.229 -0.339 1
1 410 . 2 1 1 A 35 35 ASP CB C 35 39.291 40.976 -1.685 1
1 411 . 2 1 1 A 35 35 ASP N N 35 121.921 119.609 2.312 1
1 412 . 2 1 1 A 36 36 LEU H H 36 7.792 7.867 -0.075 1
1 413 . 2 1 1 A 36 36 LEU HA H 36 4.162 3.992 0.170 1
1 423 . 2 1 1 A 36 36 LEU C C 36 176.097 179.192 -3.095 1
1 424 . 2 1 1 A 36 36 LEU CA C 36 57.508 58.049 -0.541 1
1 425 . 2 1 1 A 36 36 LEU CB C 36 41.523 41.499 0.024 1
1 429 . 2 1 1 A 36 36 LEU N N 36 121.822 120.253 1.569 1
1 430 . 2 1 1 A 37 37 ASN H H 37 9.015 8.594 0.421 1
1 431 . 2 1 1 A 37 37 ASN HA H 37 4.733 4.643 0.090 1
1 436 . 2 1 1 A 37 37 ASN C C 37 176.232 178.552 -2.320 1
1 437 . 2 1 1 A 37 37 ASN CA C 37 54.288 56.439 -2.151 1
1 438 . 2 1 1 A 37 37 ASN CB C 37 37.337 37.856 -0.519 1
1 439 . 2 1 1 A 37 37 ASN N N 37 116.904 117.697 -0.793 1
1 441 . 2 1 1 A 38 38 GLN H H 38 8.218 7.968 0.250 1
1 442 . 2 1 1 A 38 38 GLN HA H 38 4.074 4.091 -0.017 1
1 447 . 2 1 1 A 38 38 GLN C C 38 175.773 178.843 -3.070 1
1 448 . 2 1 1 A 38 38 GLN CA C 38 58.134 58.899 -0.765 1
1 449 . 2 1 1 A 38 38 GLN CB C 38 27.676 28.566 -0.890 1
1 451 . 2 1 1 A 38 38 GLN N N 38 121.443 120.560 0.883 1
1 452 . 2 1 1 A 39 39 MET H H 39 7.487 8.039 -0.552 1
1 453 . 2 1 1 A 39 39 MET HA H 39 3.967 4.094 -0.127 1
1 461 . 2 1 1 A 39 39 MET C C 39 176.259 178.143 -1.884 1
1 462 . 2 1 1 A 39 39 MET CA C 39 58.374 58.376 -0.002 1
1 463 . 2 1 1 A 39 39 MET CB C 39 33.000 32.664 0.336 1
1 466 . 2 1 1 A 39 39 MET N N 39 118.793 119.460 -0.667 1
1 467 . 2 1 1 A 40 40 THR H H 40 7.873 7.524 0.349 1
1 468 . 2 1 1 A 40 40 THR HA H 40 3.769 3.968 -0.199 1
1 473 . 2 1 1 A 40 40 THR C C 40 173.906 175.752 -1.846 1
1 474 . 2 1 1 A 40 40 THR CA C 40 61.739 62.808 -1.069 1
1 475 . 2 1 1 A 40 40 THR CB C 40 68.427 69.671 -1.244 1
1 477 . 2 1 1 A 40 40 THR N N 40 108.945 108.539 0.406 1
1 478 . 2 1 1 A 41 41 GLY H H 41 7.199 7.804 -0.605 1
1 479 . 2 1 1 A 41 41 GLY HA2 H 41 3.899 3.931 -0.032 1
1 480 . 2 1 1 A 41 41 GLY HA3 H 41 3.662 3.960 -0.298 1
1 481 . 2 1 1 A 41 41 GLY C C 41 171.661 174.459 -2.798 1
1 482 . 2 1 1 A 41 41 GLY CA C 41 44.926 45.455 -0.529 1
1 483 . 2 1 1 A 41 41 GLY N N 41 106.430 111.096 -4.666 1
1 484 . 2 1 1 A 42 42 PHE H H 42 7.876 8.091 -0.215 1
1 485 . 2 1 1 A 42 42 PHE HA H 42 4.682 4.485 0.197 1
1 493 . 2 1 1 A 42 42 PHE C C 42 171.499 174.671 -3.172 1
1 494 . 2 1 1 A 42 42 PHE CA C 42 57.793 59.224 -1.431 1
1 495 . 2 1 1 A 42 42 PHE CB C 42 39.422 39.731 -0.309 1
1 501 . 2 1 1 A 42 42 PHE N N 42 122.221 121.845 0.376 1
1 502 . 2 1 1 A 43 43 THR H H 43 8.418 8.634 -0.216 1
1 503 . 2 1 1 A 43 43 THR HA H 43 3.665 4.258 -0.593 1
1 508 . 2 1 1 A 43 43 THR C C 43 168.767 173.291 -4.524 1
1 509 . 2 1 1 A 43 43 THR CA C 43 59.002 60.400 -1.398 1
1 510 . 2 1 1 A 43 43 THR CB C 43 70.919 71.406 -0.487 1
1 512 . 2 1 1 A 43 43 THR N N 43 123.470 122.939 0.531 1
1 513 . 2 1 1 A 44 44 LYS H H 44 7.999 8.101 -0.102 1
1 514 . 2 1 1 A 44 44 LYS HA H 44 3.924 4.729 -0.805 1
1 523 . 2 1 1 A 44 44 LYS CA C 44 54.785 54.377 0.408 1
1 524 . 2 1 1 A 44 44 LYS CB C 44 31.047 31.406 -0.359 1
1 528 . 2 1 1 A 44 44 LYS N N 44 124.728 124.544 0.184 1
1 529 . 2 1 1 A 45 45 PRO HA H 45 4.581 4.565 0.016 1
1 536 . 2 1 1 A 45 45 PRO C C 45 172.770 177.012 -4.242 1
1 537 . 2 1 1 A 45 45 PRO CA C 45 60.970 62.640 -1.670 1
1 538 . 2 1 1 A 45 45 PRO CB C 45 33.754 32.513 1.241 1
1 541 . 2 1 1 A 46 46 ALA H H 46 8.715 8.485 0.230 1
1 542 . 2 1 1 A 46 46 ALA HA H 46 4.674 4.689 -0.015 1
1 546 . 2 1 1 A 46 46 ALA C C 46 175.827 178.512 -2.685 1
1 547 . 2 1 1 A 46 46 ALA CA C 46 50.851 53.054 -2.203 1
1 548 . 2 1 1 A 46 46 ALA CB C 46 20.458 19.238 1.220 1
1 549 . 2 1 1 A 46 46 ALA N N 46 123.249 124.839 -1.590 1
1 550 . 2 1 1 A 47 47 SER H H 47 8.518 9.021 -0.503 1
1 551 . 2 1 1 A 47 47 SER HA H 47 4.202 4.364 -0.162 1
1 554 . 2 1 1 A 47 47 SER C C 47 171.769 174.341 -2.572 1
1 555 . 2 1 1 A 47 47 SER CA C 47 58.740 60.215 -1.475 1
1 556 . 2 1 1 A 47 47 SER CB C 47 62.419 63.986 -1.567 1
1 557 . 2 1 1 A 47 47 SER N N 47 117.696 117.226 0.470 1
1 558 . 2 1 1 A 48 48 ARG H H 48 7.276 7.659 -0.383 1
1 559 . 2 1 1 A 48 48 ARG HA H 48 4.466 4.757 -0.291 1
1 566 . 2 1 1 A 48 48 ARG C C 48 170.417 173.774 -3.357 1
1 567 . 2 1 1 A 48 48 ARG CA C 48 54.164 54.846 -0.682 1
1 568 . 2 1 1 A 48 48 ARG CB C 48 29.775 33.060 -3.285 1
1 571 . 2 1 1 A 48 48 ARG N N 48 115.830 117.142 -1.312 1
1 572 . 2 1 1 A 49 49 GLU H H 49 8.681 8.658 0.023 1
1 573 . 2 1 1 A 49 49 GLU HA H 49 5.373 5.143 0.230 1
1 578 . 2 1 1 A 49 49 GLU C C 49 172.716 175.282 -2.566 1
1 579 . 2 1 1 A 49 49 GLU CA C 49 53.744 55.425 -1.681 1
1 580 . 2 1 1 A 49 49 GLU CB C 49 32.057 30.894 1.163 1
1 582 . 2 1 1 A 49 49 GLU N N 49 119.800 119.636 0.164 1
1 583 . 2 1 1 A 50 50 LEU H H 50 8.720 8.850 -0.130 1
1 584 . 2 1 1 A 50 50 LEU HA H 50 4.821 4.486 0.335 1
1 594 . 2 1 1 A 50 50 LEU C C 50 171.932 176.322 -4.390 1
1 595 . 2 1 1 A 50 50 LEU CA C 50 52.447 54.246 -1.799 1
1 596 . 2 1 1 A 50 50 LEU CB C 50 44.748 42.567 2.181 1
1 600 . 2 1 1 A 50 50 LEU N N 50 124.747 126.709 -1.962 1
1 601 . 2 1 1 A 51 51 SER H H 51 9.560 8.703 0.857 1
1 602 . 2 1 1 A 51 51 SER HA H 51 4.881 5.234 -0.353 1
1 605 . 2 1 1 A 51 51 SER C C 51 171.769 174.079 -2.310 1
1 606 . 2 1 1 A 51 51 SER CA C 51 55.707 57.878 -2.171 1
1 607 . 2 1 1 A 51 51 SER CB C 51 64.701 63.953 0.748 1
1 608 . 2 1 1 A 51 51 SER N N 51 119.156 121.464 -2.308 1
1 609 . 2 1 1 A 52 52 VAL H H 52 8.416 8.834 -0.418 1
1 610 . 2 1 1 A 52 52 VAL HA H 52 5.196 4.899 0.297 1
1 618 . 2 1 1 A 52 52 VAL CA C 52 59.207 61.632 -2.425 1
1 619 . 2 1 1 A 52 52 VAL CB C 52 33.156 32.959 0.197 1
1 622 . 2 1 1 A 52 52 VAL N N 52 121.797 127.437 -5.640 1
1 623 . 2 1 1 A 53 53 THR H H 53 8.383 8.657 -0.274 1
1 624 . 2 1 1 A 53 53 THR HA H 53 4.358 5.043 -0.685 1
1 629 . 2 1 1 A 53 53 THR C C 53 169.741 172.624 -2.883 1
1 630 . 2 1 1 A 53 53 THR CA C 53 58.375 59.254 -0.879 1
1 631 . 2 1 1 A 53 53 THR CB C 53 70.707 71.740 -1.033 1
1 633 . 2 1 1 A 53 53 THR N N 53 117.287 117.114 0.173 1
1 634 . 2 1 1 A 54 54 PHE H H 54 8.737 8.887 -0.150 1
1 635 . 2 1 1 A 54 54 PHE HA H 54 4.536 5.009 -0.473 1
1 643 . 2 1 1 A 54 54 PHE C C 54 172.986 175.484 -2.498 1
1 644 . 2 1 1 A 54 54 PHE CA C 54 57.064 56.138 0.926 1
1 645 . 2 1 1 A 54 54 PHE CB C 54 38.755 40.882 -2.127 1
1 651 . 2 1 1 A 54 54 PHE N N 54 118.180 120.331 -2.151 1
1 652 . 2 1 1 A 55 55 PHE H H 55 9.167 8.904 0.263 1
1 653 . 2 1 1 A 55 55 PHE HA H 55 3.715 4.486 -0.771 1
1 660 . 2 1 1 A 55 55 PHE CA C 55 57.908 57.432 0.476 1
1 661 . 2 1 1 A 55 55 PHE CB C 55 39.594 39.301 0.293 1
1 666 . 2 1 1 A 55 55 PHE N N 55 128.290 124.536 3.754 1
1 667 . 2 1 1 A 56 56 PRO HA H 56 2.356 3.542 -1.186 1
1 674 . 2 1 1 A 56 56 PRO C C 56 171.012 175.380 -4.368 1
1 675 . 2 1 1 A 56 56 PRO CA C 56 62.611 63.447 -0.836 1
1 676 . 2 1 1 A 56 56 PRO CB C 56 32.522 32.092 0.430 1
1 679 . 2 1 1 A 57 57 ASP H H 57 9.009 8.173 0.836 1
1 680 . 2 1 1 A 57 57 ASP HA H 57 4.289 4.424 -0.135 1
1 683 . 2 1 1 A 57 57 ASP C C 57 173.257 176.446 -3.189 1
1 684 . 2 1 1 A 57 57 ASP CA C 57 53.752 54.229 -0.477 1
1 685 . 2 1 1 A 57 57 ASP CB C 57 40.067 41.042 -0.975 1
1 686 . 2 1 1 A 57 57 ASP N N 57 127.876 122.387 5.489 1
1 687 . 2 1 1 A 58 58 LEU H H 58 8.368 8.330 0.038 1
1 688 . 2 1 1 A 58 58 LEU HA H 58 4.229 4.849 -0.620 1
1 698 . 2 1 1 A 58 58 LEU C C 58 174.285 177.513 -3.228 1
1 699 . 2 1 1 A 58 58 LEU CA C 58 52.468 53.799 -1.331 1
1 700 . 2 1 1 A 58 58 LEU CB C 58 40.258 42.065 -1.807 1
1 704 . 2 1 1 A 58 58 LEU N N 58 128.010 121.714 6.296 1
1 705 . 2 1 1 A 59 59 ASN H H 59 8.430 8.141 0.289 1
1 706 . 2 1 1 A 59 59 ASN HA H 59 4.198 4.355 -0.157 1
1 711 . 2 1 1 A 59 59 ASN C C 59 173.636 177.008 -3.372 1
1 712 . 2 1 1 A 59 59 ASN CA C 59 54.945 55.891 -0.946 1
1 713 . 2 1 1 A 59 59 ASN CB C 59 38.175 37.928 0.247 1
1 714 . 2 1 1 A 59 59 ASN N N 59 116.745 118.758 -2.013 1
1 716 . 2 1 1 A 60 60 GLY H H 60 8.083 7.850 0.233 1
1 717 . 2 1 1 A 60 60 GLY HA2 H 60 3.766 4.011 -0.245 1
1 718 . 2 1 1 A 60 60 GLY HA3 H 60 3.326 4.025 -0.699 1
1 719 . 2 1 1 A 60 60 GLY C C 60 169.876 174.560 -4.684 1
1 720 . 2 1 1 A 60 60 GLY CA C 60 44.285 44.672 -0.387 1
1 721 . 2 1 1 A 60 60 GLY N N 60 110.045 108.645 1.400 1
1 722 . 2 1 1 A 61 61 ASP H H 61 8.084 8.894 -0.810 1
1 723 . 2 1 1 A 61 61 ASP HA H 61 4.200 4.358 -0.158 1
1 726 . 2 1 1 A 61 61 ASP C C 61 172.283 175.540 -3.257 1
1 727 . 2 1 1 A 61 61 ASP CA C 61 56.865 56.233 0.632 1
1 728 . 2 1 1 A 61 61 ASP CB C 61 42.113 40.796 1.317 1
1 729 . 2 1 1 A 61 61 ASP N N 61 121.395 119.816 1.579 1
1 730 . 2 1 1 A 62 62 VAL H H 62 8.387 7.818 0.569 1
1 731 . 2 1 1 A 62 62 VAL HA H 62 4.096 4.694 -0.598 1
1 739 . 2 1 1 A 62 62 VAL C C 62 171.255 174.255 -3.000 1
1 740 . 2 1 1 A 62 62 VAL CA C 62 58.914 60.385 -1.471 1
1 741 . 2 1 1 A 62 62 VAL CB C 62 34.433 35.682 -1.249 1
1 744 . 2 1 1 A 62 62 VAL N N 62 117.701 116.752 0.949 1
1 745 . 2 1 1 A 63 63 VAL H H 63 8.251 8.578 -0.327 1
1 746 . 2 1 1 A 63 63 VAL HA H 63 4.637 4.895 -0.258 1
1 754 . 2 1 1 A 63 63 VAL C C 63 171.282 174.855 -3.573 1
1 755 . 2 1 1 A 63 63 VAL CA C 63 59.233 60.048 -0.815 1
1 756 . 2 1 1 A 63 63 VAL CB C 63 33.531 34.906 -1.375 1
1 759 . 2 1 1 A 63 63 VAL N N 63 125.341 125.571 -0.230 1
1 760 . 2 1 1 A 64 64 ALA H H 64 9.316 8.659 0.657 1
1 761 . 2 1 1 A 64 64 ALA HA H 64 5.036 5.344 -0.308 1
1 765 . 2 1 1 A 64 64 ALA C C 64 173.825 175.504 -1.679 1
1 766 . 2 1 1 A 64 64 ALA CA C 64 49.059 50.610 -1.551 1
1 767 . 2 1 1 A 64 64 ALA CB C 64 20.323 22.867 -2.544 1
1 768 . 2 1 1 A 64 64 ALA N N 64 128.526 125.062 3.464 1
1 769 . 2 1 1 A 65 65 ILE H H 65 9.451 9.249 0.202 1
1 770 . 2 1 1 A 65 65 ILE HA H 65 4.475 4.789 -0.314 1
1 780 . 2 1 1 A 65 65 ILE C C 65 172.121 175.091 -2.970 1
1 781 . 2 1 1 A 65 65 ILE CA C 65 56.490 59.538 -3.048 1
1 782 . 2 1 1 A 65 65 ILE CB C 65 37.474 41.778 -4.304 1
1 786 . 2 1 1 A 65 65 ILE N N 65 126.677 120.477 6.200 1
1 787 . 2 1 1 A 66 66 ASP H H 66 9.165 8.906 0.259 1
1 788 . 2 1 1 A 66 66 ASP HA H 66 4.045 4.726 -0.681 1
1 791 . 2 1 1 A 66 66 ASP C C 66 174.663 176.628 -1.965 1
1 792 . 2 1 1 A 66 66 ASP CA C 66 54.199 54.200 -0.001 1
1 793 . 2 1 1 A 66 66 ASP CB C 66 42.211 41.535 0.676 1
1 794 . 2 1 1 A 66 66 ASP N N 66 128.723 125.840 2.883 1
1 795 . 2 1 1 A 67 67 TYR H H 67 8.919 8.729 0.190 1
1 796 . 2 1 1 A 67 67 TYR HA H 67 4.344 4.380 -0.036 1
1 801 . 2 1 1 A 67 67 TYR C C 67 173.257 177.158 -3.901 1
1 802 . 2 1 1 A 67 67 TYR CA C 67 59.614 61.751 -2.137 1
1 803 . 2 1 1 A 67 67 TYR CB C 67 39.338 39.013 0.325 1
1 806 . 2 1 1 A 67 67 TYR N N 67 127.739 121.443 6.296 1
1 807 . 2 1 1 A 68 68 ARG H H 68 9.459 8.314 1.145 1
1 808 . 2 1 1 A 68 68 ARG HA H 68 3.923 3.823 0.100 1
1 815 . 2 1 1 A 68 68 ARG C C 68 174.150 177.026 -2.876 1
1 816 . 2 1 1 A 68 68 ARG CA C 68 57.691 58.201 -0.510 1
1 817 . 2 1 1 A 68 68 ARG CB C 68 27.945 29.422 -1.477 1
1 820 . 2 1 1 A 68 68 ARG N N 68 121.666 117.665 4.001 1
1 821 . 2 1 1 A 69 69 HIS H H 69 8.146 7.687 0.459 1
1 822 . 2 1 1 A 69 69 HIS HA H 69 4.538 4.497 0.041 1
1 826 . 2 1 1 A 69 69 HIS C C 69 171.391 174.834 -3.443 1
1 827 . 2 1 1 A 69 69 HIS CA C 69 55.405 56.098 -0.693 1
1 828 . 2 1 1 A 69 69 HIS CB C 69 29.458 29.708 -0.250 1
1 830 . 2 1 1 A 69 69 HIS N N 69 117.372 117.040 0.332 1
1 831 . 2 1 1 A 70 70 TYR H H 70 7.468 7.487 -0.019 1
1 832 . 2 1 1 A 70 70 TYR HA H 70 3.431 3.524 -0.093 1
1 839 . 2 1 1 A 70 70 TYR C C 70 171.904 174.147 -2.243 1
1 840 . 2 1 1 A 70 70 TYR CA C 70 60.020 55.475 4.545 1
1 841 . 2 1 1 A 70 70 TYR CB C 70 37.554 35.895 1.659 1
1 846 . 2 1 1 A 70 70 TYR N N 70 121.636 121.713 -0.077 1
1 847 . 2 1 1 A 71 71 SER H H 71 5.657 8.802 -3.145 1
1 848 . 2 1 1 A 71 71 SER HA H 71 3.958 4.179 -0.221 1
1 851 . 2 1 1 A 71 71 SER C C 71 170.390 175.098 -4.708 1
1 852 . 2 1 1 A 71 71 SER CA C 71 55.267 58.860 -3.593 1
1 853 . 2 1 1 A 71 71 SER CB C 71 64.410 63.878 0.532 1
1 854 . 2 1 1 A 71 71 SER N N 71 120.240 122.160 -1.920 1
1 855 . 2 1 1 A 72 72 ALA H H 72 8.461 8.861 -0.400 1
1 856 . 2 1 1 A 72 72 ALA HA H 72 3.757 3.929 -0.172 1
1 860 . 2 1 1 A 72 72 ALA CA C 72 54.250 54.208 0.042 1
1 861 . 2 1 1 A 72 72 ALA CB C 72 17.423 18.315 -0.892 1
1 862 . 2 1 1 A 72 72 ALA N N 72 123.497 126.953 -3.456 1
1 863 . 2 1 1 A 73 73 SER HA H 73 3.904 3.888 0.016 1
1 866 . 2 1 1 A 73 73 SER C C 73 172.500 175.604 -3.104 1
1 867 . 2 1 1 A 73 73 SER CA C 73 59.873 61.956 -2.083 1
1 868 . 2 1 1 A 73 73 SER CB C 73 61.769 62.838 -1.069 1
1 869 . 2 1 1 A 74 74 PHE H H 74 7.508 7.746 -0.238 1
1 870 . 2 1 1 A 74 74 PHE HA H 74 5.163 4.668 0.495 1
1 877 . 2 1 1 A 74 74 PHE C C 74 173.987 176.818 -2.831 1
1 878 . 2 1 1 A 74 74 PHE CA C 74 53.320 58.691 -5.371 1
1 879 . 2 1 1 A 74 74 PHE CB C 74 37.854 38.612 -0.758 1
1 884 . 2 1 1 A 74 74 PHE N N 74 118.853 117.607 1.246 1
1 885 . 2 1 1 A 75 75 LYS H H 75 7.245 8.454 -1.209 1
1 886 . 2 1 1 A 75 75 LYS HA H 75 4.200 4.198 0.002 1
1 895 . 2 1 1 A 75 75 LYS C C 75 173.717 176.961 -3.244 1
1 896 . 2 1 1 A 75 75 LYS CA C 75 59.003 58.801 0.202 1
1 897 . 2 1 1 A 75 75 LYS CB C 75 31.846 32.088 -0.242 1
1 901 . 2 1 1 A 75 75 LYS N N 75 121.129 119.102 2.027 1
1 902 . 2 1 1 A 76 76 LYS H H 76 7.841 7.612 0.229 1
1 903 . 2 1 1 A 76 76 LYS HA H 76 3.738 2.266 1.472 1
1 912 . 2 1 1 A 76 76 LYS C C 76 170.200 175.380 -5.180 1
1 913 . 2 1 1 A 76 76 LYS CA C 76 55.114 54.798 0.316 1
1 914 . 2 1 1 A 76 76 LYS CB C 76 32.393 32.043 0.350 1
1 918 . 2 1 1 A 76 76 LYS N N 76 114.423 117.321 -2.898 1
1 919 . 2 1 1 A 77 77 GLY H H 77 7.239 7.303 -0.064 1
1 920 . 2 1 1 A 77 77 GLY HA2 H 77 3.737 4.037 -0.300 1
1 921 . 2 1 1 A 77 77 GLY HA3 H 77 4.771 4.046 0.725 1
1 922 . 2 1 1 A 77 77 GLY C C 77 170.795 172.440 -1.645 1
1 923 . 2 1 1 A 77 77 GLY CA C 77 43.770 43.968 -0.198 1
1 924 . 2 1 1 A 77 77 GLY N N 77 103.318 107.204 -3.886 1
1 925 . 2 1 1 A 78 78 ALA H H 78 6.868 8.334 -1.466 1
1 926 . 2 1 1 A 78 78 ALA HA H 78 4.982 5.144 -0.162 1
1 930 . 2 1 1 A 78 78 ALA C C 78 171.904 175.634 -3.730 1
1 931 . 2 1 1 A 78 78 ALA CA C 78 49.907 51.203 -1.296 1
1 932 . 2 1 1 A 78 78 ALA CB C 78 22.601 23.551 -0.950 1
1 933 . 2 1 1 A 78 78 ALA N N 78 117.057 121.273 -4.216 1
1 934 . 2 1 1 A 79 79 LYS H H 79 8.765 8.887 -0.122 1
1 935 . 2 1 1 A 79 79 LYS HA H 79 4.636 4.876 -0.240 1
1 944 . 2 1 1 A 79 79 LYS C C 79 171.039 174.597 -3.558 1
1 945 . 2 1 1 A 79 79 LYS CA C 79 54.485 54.280 0.205 1
1 946 . 2 1 1 A 79 79 LYS CB C 79 35.963 36.092 -0.129 1
1 950 . 2 1 1 A 79 79 LYS N N 79 117.018 116.043 0.975 1
1 951 . 2 1 1 A 80 80 LEU H H 80 8.782 8.862 -0.080 1
1 952 . 2 1 1 A 80 80 LEU HA H 80 4.459 4.447 0.012 1
1 962 . 2 1 1 A 80 80 LEU C C 80 173.095 177.595 -4.500 1
1 963 . 2 1 1 A 80 80 LEU CA C 80 52.743 53.459 -0.716 1
1 964 . 2 1 1 A 80 80 LEU CB C 80 42.494 44.229 -1.735 1
1 968 . 2 1 1 A 80 80 LEU N N 80 122.496 123.211 -0.715 1
1 969 . 2 1 1 A 81 81 LEU H H 81 8.636 8.679 -0.043 1
1 970 . 2 1 1 A 81 81 LEU HA H 81 3.578 4.003 -0.425 1
1 980 . 2 1 1 A 81 81 LEU CA C 81 57.316 58.529 -1.213 1
1 981 . 2 1 1 A 81 81 LEU CB C 81 39.032 42.027 -2.995 1
1 985 . 2 1 1 A 81 81 LEU N N 81 125.060 124.539 0.521 1
1 986 . 2 1 1 A 82 82 HIS H H 82 8.379 7.752 0.627 1
1 987 . 2 1 1 A 82 82 HIS HA H 82 4.551 4.785 -0.234 1
1 992 . 2 1 1 A 82 82 HIS C C 82 172.635 173.823 -1.188 1
1 993 . 2 1 1 A 82 82 HIS CA C 82 55.432 55.091 0.341 1
1 994 . 2 1 1 A 82 82 HIS CB C 82 29.646 31.406 -1.760 1
1 997 . 2 1 1 A 82 82 HIS N N 82 114.387 110.699 3.688 1
1 998 . 2 1 1 A 83 83 LYS H H 83 8.023 7.607 0.416 1
1 999 . 2 1 1 A 83 83 LYS HA H 83 4.670 4.513 0.157 1
1 1008 . 2 1 1 A 83 83 LYS CA C 83 52.041 53.063 -1.022 1
1 1009 . 2 1 1 A 83 83 LYS CB C 83 32.741 33.555 -0.814 1
1 1013 . 2 1 1 A 83 83 LYS N N 83 122.886 120.135 2.751 1
1 1014 . 2 1 1 A 84 84 PRO HA H 84 4.585 4.622 -0.037 1
1 1021 . 2 1 1 A 84 84 PRO C C 84 172.797 176.119 -3.322 1
1 1022 . 2 1 1 A 84 84 PRO CA C 84 62.050 62.413 -0.363 1
1 1023 . 2 1 1 A 84 84 PRO CB C 84 32.770 32.917 -0.147 1
1 1026 . 2 1 1 A 85 85 ILE H H 85 6.185 8.197 -2.012 1
1 1027 . 2 1 1 A 85 85 ILE HA H 85 5.743 5.475 0.268 1
1 1037 . 2 1 1 A 85 85 ILE C C 85 174.366 174.097 0.269 1
1 1038 . 2 1 1 A 85 85 ILE CA C 85 57.032 58.495 -1.463 1
1 1039 . 2 1 1 A 85 85 ILE CB C 85 41.265 42.061 -0.796 1
1 1043 . 2 1 1 A 85 85 ILE N N 85 107.777 116.057 -8.280 1
1 1044 . 2 1 1 A 86 86 VAL H H 86 7.552 8.703 -1.151 1
1 1045 . 2 1 1 A 86 86 VAL HA H 86 4.278 4.623 -0.345 1
1 1053 . 2 1 1 A 86 86 VAL CA C 86 59.345 58.930 0.415 1
1 1054 . 2 1 1 A 86 86 VAL CB C 86 34.990 35.703 -0.713 1
1 1057 . 2 1 1 A 86 86 VAL N N 86 109.584 115.914 -6.330 1
1 1058 . 2 1 1 A 87 87 TRP H H 87 10.036 8.589 1.447 1
1 1059 . 2 1 1 A 87 87 TRP HA H 87 6.158 5.338 0.820 1
1 1068 . 2 1 1 A 87 87 TRP C C 87 174.393 176.681 -2.288 1
1 1069 . 2 1 1 A 87 87 TRP CA C 87 55.238 56.680 -1.442 1
1 1070 . 2 1 1 A 87 87 TRP CB C 87 32.786 29.949 2.837 1
1 1076 . 2 1 1 A 87 87 TRP N N 87 122.256 124.779 -2.523 1
1 1078 . 2 1 1 A 88 88 HIS H H 88 8.802 9.231 -0.429 1
1 1079 . 2 1 1 A 88 88 HIS HA H 88 5.383 6.059 -0.676 1
1 1085 . 2 1 1 A 88 88 HIS CA C 88 53.902 53.851 0.051 1
1 1086 . 2 1 1 A 88 88 HIS CB C 88 37.553 33.026 4.527 1
1 1089 . 2 1 1 A 88 88 HIS N N 88 116.636 120.461 -3.825 1
1 1090 . 2 1 1 A 89 89 ILE H H 89 9.197 8.913 0.284 1
1 1091 . 2 1 1 A 89 89 ILE HA H 89 4.022 4.280 -0.258 1
1 1101 . 2 1 1 A 89 89 ILE C C 89 174.582 176.012 -1.430 1
1 1102 . 2 1 1 A 89 89 ILE CA C 89 61.042 60.180 0.862 1
1 1103 . 2 1 1 A 89 89 ILE CB C 89 40.176 40.141 0.035 1
1 1107 . 2 1 1 A 89 89 ILE N N 89 118.669 120.944 -2.275 1
1 1108 . 2 1 1 A 90 90 ASN H H 90 9.688 9.279 0.409 1
1 1109 . 2 1 1 A 90 90 ASN HA H 90 4.281 4.290 -0.009 1
1 1114 . 2 1 1 A 90 90 ASN C C 90 171.418 174.481 -3.063 1
1 1115 . 2 1 1 A 90 90 ASN CA C 90 53.724 54.576 -0.852 1
1 1116 . 2 1 1 A 90 90 ASN CB C 90 36.919 36.966 -0.047 1
1 1117 . 2 1 1 A 90 90 ASN N N 90 128.710 126.990 1.720 1
1 1119 . 2 1 1 A 91 91 GLN H H 91 10.928 8.245 2.683 1
1 1120 . 2 1 1 A 91 91 GLN HA H 91 2.586 3.293 -0.707 1
1 1127 . 2 1 1 A 91 91 GLN C C 91 170.146 174.066 -3.920 1
1 1128 . 2 1 1 A 91 91 GLN CA C 91 55.444 57.113 -1.669 1
1 1129 . 2 1 1 A 91 91 GLN CB C 91 23.948 26.741 -2.793 1
1 1131 . 2 1 1 A 91 91 GLN N N 91 112.871 108.875 3.996 1
1 1133 . 2 1 1 A 92 92 ALA H H 92 7.692 8.115 -0.423 1
1 1134 . 2 1 1 A 92 92 ALA HA H 92 4.979 5.181 -0.202 1
1 1138 . 2 1 1 A 92 92 ALA C C 92 174.068 175.450 -1.382 1
1 1139 . 2 1 1 A 92 92 ALA CA C 92 49.792 50.452 -0.660 1
1 1140 . 2 1 1 A 92 92 ALA CB C 92 21.832 22.525 -0.693 1
1 1141 . 2 1 1 A 92 92 ALA N N 92 118.287 120.350 -2.063 1
1 1142 . 2 1 1 A 93 93 THR H H 93 9.026 9.040 -0.014 1
1 1143 . 2 1 1 A 93 93 THR HA H 93 5.281 5.228 0.053 1
1 1148 . 2 1 1 A 93 93 THR C C 93 170.768 173.876 -3.108 1
1 1149 . 2 1 1 A 93 93 THR CA C 93 58.597 60.764 -2.167 1
1 1150 . 2 1 1 A 93 93 THR CB C 93 70.855 71.013 -0.158 1
1 1152 . 2 1 1 A 93 93 THR N N 93 114.894 115.368 -0.474 1
1 1153 . 2 1 1 A 94 94 THR H H 94 8.292 8.595 -0.303 1
1 1154 . 2 1 1 A 94 94 THR HA H 94 4.903 5.030 -0.127 1
1 1159 . 2 1 1 A 94 94 THR CA C 94 58.800 59.356 -0.556 1
1 1160 . 2 1 1 A 94 94 THR CB C 94 71.488 72.469 -0.981 1
1 1162 . 2 1 1 A 94 94 THR N N 94 119.907 117.614 2.293 1
1 1163 . 2 1 1 A 95 95 LYS HA H 95 4.056 4.201 -0.145 1
1 1172 . 2 1 1 A 95 95 LYS CA C 95 59.376 60.384 -1.008 1
1 1173 . 2 1 1 A 95 95 LYS CB C 95 31.083 32.130 -1.047 1
1 1177 . 2 1 1 A 96 96 THR H H 96 7.773 7.983 -0.210 1
1 1178 . 2 1 1 A 96 96 THR HA H 96 3.798 4.102 -0.304 1
1 1183 . 2 1 1 A 96 96 THR C C 96 171.850 176.222 -4.372 1
1 1184 . 2 1 1 A 96 96 THR CA C 96 64.506 66.726 -2.220 1
1 1185 . 2 1 1 A 96 96 THR CB C 96 68.405 68.543 -0.138 1
1 1187 . 2 1 1 A 96 96 THR N N 96 113.841 118.008 -4.167 1
1 1188 . 2 1 1 A 97 97 THR H H 97 6.795 7.629 -0.834 1
1 1189 . 2 1 1 A 97 97 THR HA H 97 3.604 4.431 -0.827 1
1 1194 . 2 1 1 A 97 97 THR C C 97 171.959 176.467 -4.508 1
1 1195 . 2 1 1 A 97 97 THR CA C 97 61.209 63.085 -1.876 1
1 1196 . 2 1 1 A 97 97 THR CB C 97 67.962 69.347 -1.385 1
1 1198 . 2 1 1 A 97 97 THR N N 97 105.731 110.881 -5.150 1
1 1199 . 2 1 1 A 98 98 PHE H H 98 7.410 8.268 -0.858 1
1 1200 . 2 1 1 A 98 98 PHE HA H 98 4.220 4.165 0.055 1
1 1207 . 2 1 1 A 98 98 PHE C C 98 174.528 177.515 -2.987 1
1 1208 . 2 1 1 A 98 98 PHE CA C 98 61.879 61.549 0.330 1
1 1209 . 2 1 1 A 98 98 PHE CB C 98 38.875 39.145 -0.270 1
1 1214 . 2 1 1 A 98 98 PHE N N 98 126.402 123.004 3.398 1
1 1215 . 2 1 1 A 99 99 LYS H H 99 9.459 8.106 1.353 1
1 1216 . 2 1 1 A 99 99 LYS HA H 99 4.089 3.255 0.834 1
1 1225 . 2 1 1 A 99 99 LYS CA C 99 60.763 61.034 -0.271 1
1 1226 . 2 1 1 A 99 99 LYS CB C 99 28.635 30.942 -2.307 1
1 1230 . 2 1 1 A 99 99 LYS N N 99 121.490 117.619 3.871 1
1 1231 . 2 1 1 A 100 100 PRO HA H 100 4.922 4.546 0.376 1
1 1238 . 2 1 1 A 100 100 PRO C C 100 177.314 179.056 -1.742 1
1 1239 . 2 1 1 A 100 100 PRO CA C 100 66.173 65.300 0.873 1
1 1240 . 2 1 1 A 100 100 PRO CB C 100 31.535 30.725 0.810 1
1 1243 . 2 1 1 A 101 101 ASN H H 101 8.530 8.207 0.323 1
1 1244 . 2 1 1 A 101 101 ASN HA H 101 5.244 4.518 0.726 1
1 1249 . 2 1 1 A 101 101 ASN C C 101 175.204 177.814 -2.610 1
1 1250 . 2 1 1 A 101 101 ASN CA C 101 54.555 55.741 -1.186 1
1 1251 . 2 1 1 A 101 101 ASN CB C 101 36.187 37.864 -1.677 1
1 1252 . 2 1 1 A 101 101 ASN N N 101 115.238 116.724 -1.486 1
1 1254 . 2 1 1 A 102 102 THR H H 102 8.488 7.956 0.532 1
1 1255 . 2 1 1 A 102 102 THR HA H 102 4.184 3.971 0.213 1
1 1260 . 2 1 1 A 102 102 THR C C 102 171.472 177.035 -5.563 1
1 1261 . 2 1 1 A 102 102 THR CA C 102 67.543 65.665 1.878 1
1 1262 . 2 1 1 A 102 102 THR CB C 102 67.001 67.981 -0.980 1
1 1264 . 2 1 1 A 102 102 THR N N 102 120.254 111.602 8.652 1
1 1265 . 2 1 1 A 103 103 TRP H H 103 7.283 7.624 -0.341 1
1 1266 . 2 1 1 A 103 103 TRP HA H 103 3.986 4.286 -0.300 1
1 1275 . 2 1 1 A 103 103 TRP C C 103 175.800 178.229 -2.429 1
1 1276 . 2 1 1 A 103 103 TRP CA C 103 60.856 59.711 1.145 1
1 1277 . 2 1 1 A 103 103 TRP CB C 103 27.948 29.192 -1.244 1
1 1283 . 2 1 1 A 103 103 TRP N N 103 121.763 121.356 0.407 1
1 1285 . 2 1 1 A 104 104 CYS H H 104 8.233 7.563 0.670 1
1 1286 . 2 1 1 A 104 104 CYS HA H 104 4.272 4.002 0.270 1
1 1289 . 2 1 1 A 104 104 CYS C C 104 176.259 177.001 -0.742 1
1 1290 . 2 1 1 A 104 104 CYS CA C 104 65.226 62.359 2.867 1
1 1291 . 2 1 1 A 104 104 CYS CB C 104 26.949 26.395 0.554 1
1 1292 . 2 1 1 A 104 104 CYS N N 104 118.046 119.123 -1.077 1
1 1293 . 2 1 1 A 105 105 LEU H H 105 8.726 7.974 0.752 1
1 1294 . 2 1 1 A 105 105 LEU HA H 105 4.000 3.985 0.015 1
1 1304 . 2 1 1 A 105 105 LEU C C 105 176.205 178.880 -2.675 1
1 1305 . 2 1 1 A 105 105 LEU CA C 105 57.810 57.884 -0.074 1
1 1306 . 2 1 1 A 105 105 LEU CB C 105 40.484 41.413 -0.929 1
1 1310 . 2 1 1 A 105 105 LEU N N 105 120.557 121.016 -0.459 1
1 1311 . 2 1 1 A 106 106 ARG H H 106 6.990 7.790 -0.800 1
1 1312 . 2 1 1 A 106 106 ARG HA H 106 2.054 2.458 -0.404 1
1 1319 . 2 1 1 A 106 106 ARG C C 106 177.179 177.683 -0.504 1
1 1320 . 2 1 1 A 106 106 ARG CA C 106 57.405 58.139 -0.734 1
1 1321 . 2 1 1 A 106 106 ARG CB C 106 29.269 29.376 -0.107 1
1 1324 . 2 1 1 A 106 106 ARG N N 106 118.050 117.988 0.062 1
1 1325 . 2 1 1 A 107 107 CYS H H 107 7.623 7.922 -0.299 1
1 1326 . 2 1 1 A 107 107 CYS HA H 107 4.031 4.351 -0.320 1
1 1329 . 2 1 1 A 107 107 CYS C C 107 172.337 177.362 -5.025 1
1 1330 . 2 1 1 A 107 107 CYS CA C 107 63.291 62.974 0.317 1
1 1331 . 2 1 1 A 107 107 CYS CB C 107 26.214 27.390 -1.176 1
1 1332 . 2 1 1 A 107 107 CYS N N 107 117.028 118.373 -1.345 1
1 1333 . 2 1 1 A 108 108 LEU H H 108 7.484 7.604 -0.120 1
1 1334 . 2 1 1 A 108 108 LEU HA H 108 4.159 4.082 0.077 1
1 1344 . 2 1 1 A 108 108 LEU C C 108 174.582 177.502 -2.920 1
1 1345 . 2 1 1 A 108 108 LEU CA C 108 54.203 56.849 -2.646 1
1 1346 . 2 1 1 A 108 108 LEU CB C 108 41.621 41.815 -0.194 1
1 1350 . 2 1 1 A 108 108 LEU N N 108 117.680 118.623 -0.943 1
1 1351 . 2 1 1 A 109 109 TRP H H 109 7.427 7.799 -0.372 1
1 1352 . 2 1 1 A 109 109 TRP HA H 109 4.828 4.979 -0.151 1
1 1361 . 2 1 1 A 109 109 TRP C C 109 173.176 176.668 -3.492 1
1 1362 . 2 1 1 A 109 109 TRP CA C 109 56.353 58.242 -1.889 1
1 1363 . 2 1 1 A 109 109 TRP CB C 109 29.743 30.481 -0.738 1
1 1369 . 2 1 1 A 109 109 TRP N N 109 119.087 120.902 -1.815 1
1 1371 . 2 1 1 A 110 110 SER H H 110 8.199 8.578 -0.379 1
1 1372 . 2 1 1 A 110 110 SER HA H 110 4.688 4.876 -0.188 1
1 1375 . 2 1 1 A 110 110 SER C C 110 171.769 173.989 -2.220 1
1 1376 . 2 1 1 A 110 110 SER CA C 110 56.324 57.015 -0.691 1
1 1377 . 2 1 1 A 110 110 SER CB C 110 64.513 63.760 0.753 1
1 1378 . 2 1 1 A 110 110 SER N N 110 115.602 118.908 -3.306 1
1 1379 . 2 1 1 A 111 111 THR H H 111 8.268 8.413 -0.145 1
1 1380 . 2 1 1 A 111 111 THR HA H 111 4.425 4.582 -0.157 1
1 1385 . 2 1 1 A 111 111 THR C C 111 171.526 173.720 -2.194 1
1 1386 . 2 1 1 A 111 111 THR CA C 111 60.861 62.906 -2.045 1
1 1387 . 2 1 1 A 111 111 THR CB C 111 69.202 68.963 0.239 1
1 1389 . 2 1 1 A 111 111 THR N N 111 114.394 113.205 1.189 1
1 1390 . 2 1 1 A 112 112 LYS H H 112 8.240 8.829 -0.589 1
1 1391 . 2 1 1 A 112 112 LYS HA H 112 4.530 4.092 0.438 1
1 1400 . 2 1 1 A 112 112 LYS CA C 112 53.768 57.069 -3.301 1
1 1401 . 2 1 1 A 112 112 LYS CB C 112 32.067 31.248 0.819 1
1 1405 . 2 1 1 A 112 112 LYS N N 112 125.207 121.886 3.321 1
1 1406 . 2 1 1 A 113 113 PRO HA H 113 4.380 4.619 -0.239 1
1 1413 . 2 1 1 A 113 113 PRO C C 113 174.095 177.125 -3.030 1
1 1414 . 2 1 1 A 113 113 PRO CA C 113 62.381 62.939 -0.558 1
1 1415 . 2 1 1 A 113 113 PRO CB C 113 31.408 32.555 -1.147 1
1 1418 . 2 1 1 A 114 114 VAL H H 114 8.195 8.337 -0.142 1
1 1419 . 2 1 1 A 114 114 VAL HA H 114 4.029 3.800 0.229 1
1 1427 . 2 1 1 A 114 114 VAL C C 114 173.122 175.513 -2.391 1
1 1428 . 2 1 1 A 114 114 VAL CA C 114 61.335 62.580 -1.245 1
1 1429 . 2 1 1 A 114 114 VAL CB C 114 32.153 29.672 2.481 1
1 1432 . 2 1 1 A 114 114 VAL N N 114 120.113 117.309 2.804 1
1 1433 . 2 1 1 A 115 115 ASP H H 115 8.345 8.365 -0.020 1
1 1434 . 2 1 1 A 115 115 ASP HA H 115 4.592 4.676 -0.084 1
1 1437 . 2 1 1 A 115 115 ASP C C 115 172.608 177.068 -4.460 1
1 1438 . 2 1 1 A 115 115 ASP CA C 115 53.202 55.760 -2.558 1
1 1439 . 2 1 1 A 115 115 ASP CB C 115 40.552 41.660 -1.108 1
1 1440 . 2 1 1 A 115 115 ASP N N 115 123.853 125.744 -1.891 1
1 1 . 3 1 1 A 2 2 TYR HA H 2 4.617 4.940 -0.323 1
1 7 . 3 1 1 A 2 2 TYR C C 2 172.716 175.058 -2.342 1
1 8 . 3 1 1 A 2 2 TYR CA C 2 56.943 58.047 -1.104 1
1 9 . 3 1 1 A 2 2 TYR CB C 2 38.050 40.636 -2.586 1
1 14 . 3 1 1 A 2 2 TYR N N 2 121.461 123.458 -1.997 1
1 15 . 3 1 1 A 3 3 THR H H 3 7.984 8.657 -0.673 1
1 16 . 3 1 1 A 3 3 THR HA H 3 4.684 4.356 0.328 1
1 21 . 3 1 1 A 3 3 THR C C 3 170.931 173.770 -2.839 1
1 22 . 3 1 1 A 3 3 THR CA C 3 60.870 61.285 -0.415 1
1 23 . 3 1 1 A 3 3 THR CB C 3 69.270 69.415 -0.145 1
1 25 . 3 1 1 A 3 3 THR N N 3 117.624 123.477 -5.853 1
1 26 . 3 1 1 A 4 4 GLU H H 4 8.290 7.882 0.408 1
1 27 . 3 1 1 A 4 4 GLU HA H 4 4.183 4.074 0.109 1
1 32 . 3 1 1 A 4 4 GLU C C 4 173.013 175.727 -2.714 1
1 33 . 3 1 1 A 4 4 GLU CA C 4 55.876 57.270 -1.394 1
1 34 . 3 1 1 A 4 4 GLU CB C 4 29.779 28.551 1.228 1
1 36 . 3 1 1 A 4 4 GLU N N 4 123.377 120.643 2.734 1
1 37 . 3 1 1 A 5 5 GLN H H 5 8.329 8.679 -0.350 1
1 38 . 3 1 1 A 5 5 GLN HA H 5 4.392 4.270 0.122 1
1 43 . 3 1 1 A 5 5 GLN CA C 5 52.634 56.710 -4.076 1
1 44 . 3 1 1 A 5 5 GLN CB C 5 28.759 27.583 1.176 1
1 46 . 3 1 1 A 5 5 GLN N N 5 122.599 125.849 -3.250 1
1 47 . 3 1 1 A 6 6 PRO HA H 6 4.323 4.971 -0.648 1
1 54 . 3 1 1 A 6 6 PRO C C 6 173.636 176.785 -3.149 1
1 55 . 3 1 1 A 6 6 PRO CA C 6 62.080 62.576 -0.496 1
1 56 . 3 1 1 A 6 6 PRO CB C 6 30.785 32.217 -1.432 1
1 59 . 3 1 1 A 7 7 ILE H H 7 8.160 8.553 -0.393 1
1 60 . 3 1 1 A 7 7 ILE HA H 7 3.871 3.828 0.043 1
1 70 . 3 1 1 A 7 7 ILE C C 7 172.770 176.326 -3.556 1
1 71 . 3 1 1 A 7 7 ILE CA C 7 60.589 61.586 -0.997 1
1 72 . 3 1 1 A 7 7 ILE CB C 7 38.318 37.306 1.012 1
1 76 . 3 1 1 A 7 7 ILE N N 7 121.913 122.824 -0.911 1
1 77 . 3 1 1 A 8 8 ASP H H 8 8.126 8.605 -0.479 1
1 78 . 3 1 1 A 8 8 ASP HA H 8 4.584 4.095 0.489 1
1 81 . 3 1 1 A 8 8 ASP C C 8 171.742 175.320 -3.578 1
1 82 . 3 1 1 A 8 8 ASP CA C 8 53.265 55.286 -2.021 1
1 83 . 3 1 1 A 8 8 ASP CB C 8 39.521 39.864 -0.343 1
1 84 . 3 1 1 A 8 8 ASP N N 8 124.858 127.421 -2.563 1
1 85 . 3 1 1 A 9 9 LEU H H 9 7.374 8.153 -0.779 1
1 86 . 3 1 1 A 9 9 LEU HA H 9 4.506 4.635 -0.129 1
1 96 . 3 1 1 A 9 9 LEU C C 9 174.041 175.753 -1.712 1
1 97 . 3 1 1 A 9 9 LEU CA C 9 53.779 54.301 -0.522 1
1 98 . 3 1 1 A 9 9 LEU CB C 9 43.411 43.107 0.304 1
1 102 . 3 1 1 A 9 9 LEU N N 9 122.151 119.192 2.959 1
1 103 . 3 1 1 A 10 10 VAL H H 10 8.827 8.979 -0.152 1
1 104 . 3 1 1 A 10 10 VAL HA H 10 4.841 4.962 -0.121 1
1 112 . 3 1 1 A 10 10 VAL CA C 10 57.706 59.271 -1.565 1
1 113 . 3 1 1 A 10 10 VAL CB C 10 33.895 34.978 -1.083 1
1 116 . 3 1 1 A 10 10 VAL N N 10 120.738 122.066 -1.328 1
1 117 . 3 1 1 A 11 11 PRO HA H 11 4.766 5.117 -0.351 1
1 124 . 3 1 1 A 11 11 PRO C C 11 173.149 175.184 -2.035 1
1 125 . 3 1 1 A 11 11 PRO CA C 11 62.417 62.760 -0.343 1
1 126 . 3 1 1 A 11 11 PRO CB C 11 32.119 32.543 -0.424 1
1 129 . 3 1 1 A 12 12 THR H H 12 7.408 8.381 -0.973 1
1 130 . 3 1 1 A 12 12 THR HA H 12 4.280 4.852 -0.572 1
1 135 . 3 1 1 A 12 12 THR C C 12 166.981 172.578 -5.597 1
1 136 . 3 1 1 A 12 12 THR CA C 12 59.142 59.746 -0.604 1
1 137 . 3 1 1 A 12 12 THR CB C 12 68.812 70.307 -1.495 1
1 139 . 3 1 1 A 12 12 THR N N 12 115.177 116.375 -1.198 1
1 140 . 3 1 1 A 13 13 GLN H H 13 7.953 8.720 -0.767 1
1 141 . 3 1 1 A 13 13 GLN HA H 13 5.073 5.005 0.068 1
1 146 . 3 1 1 A 13 13 GLN CA C 13 52.836 53.067 -0.231 1
1 147 . 3 1 1 A 13 13 GLN CB C 13 28.566 32.011 -3.445 1
1 149 . 3 1 1 A 13 13 GLN N N 13 113.324 119.331 -6.007 1
1 150 . 3 1 1 A 14 14 PRO HA H 14 4.340 4.628 -0.288 1
1 157 . 3 1 1 A 14 14 PRO C C 14 173.392 176.773 -3.381 1
1 158 . 3 1 1 A 14 14 PRO CA C 14 62.498 62.669 -0.171 1
1 159 . 3 1 1 A 14 14 PRO CB C 14 31.565 32.166 -0.601 1
1 162 . 3 1 1 A 15 15 LEU H H 15 8.764 8.383 0.381 1
1 163 . 3 1 1 A 15 15 LEU HA H 15 4.511 4.464 0.047 1
1 173 . 3 1 1 A 15 15 LEU CA C 15 52.597 53.654 -1.057 1
1 174 . 3 1 1 A 15 15 LEU CB C 15 40.769 41.565 -0.796 1
1 178 . 3 1 1 A 15 15 LEU N N 15 124.665 122.101 2.564 1
1 179 . 3 1 1 A 16 16 PRO HA H 16 4.325 4.431 -0.106 1
1 186 . 3 1 1 A 16 16 PRO CA C 16 63.358 63.245 0.113 1
1 187 . 3 1 1 A 16 16 PRO CB C 16 31.187 32.380 -1.193 1
1 190 . 3 1 1 A 17 17 ASN H H 17 8.682 8.956 -0.274 1
1 191 . 3 1 1 A 17 17 ASN HA H 17 4.586 4.490 0.096 1
1 196 . 3 1 1 A 17 17 ASN C C 17 174.691 174.690 0.001 1
1 197 . 3 1 1 A 17 17 ASN CA C 17 52.745 53.990 -1.245 1
1 198 . 3 1 1 A 17 17 ASN CB C 17 36.762 36.286 0.476 1
1 199 . 3 1 1 A 17 17 ASN N N 17 114.315 120.573 -6.258 1
1 201 . 3 1 1 A 18 18 ALA H H 18 7.283 7.840 -0.557 1
1 202 . 3 1 1 A 18 18 ALA HA H 18 4.569 4.967 -0.398 1
1 206 . 3 1 1 A 18 18 ALA C C 18 174.041 176.637 -2.596 1
1 207 . 3 1 1 A 18 18 ALA CA C 18 51.618 52.372 -0.754 1
1 208 . 3 1 1 A 18 18 ALA CB C 18 20.698 20.619 0.079 1
1 209 . 3 1 1 A 18 18 ALA N N 18 121.620 123.125 -1.505 1
1 210 . 3 1 1 A 19 19 SER H H 19 8.744 9.197 -0.453 1
1 211 . 3 1 1 A 19 19 SER HA H 19 4.479 4.616 -0.137 1
1 214 . 3 1 1 A 19 19 SER C C 19 169.984 171.942 -1.958 1
1 215 . 3 1 1 A 19 19 SER CA C 19 56.634 56.812 -0.178 1
1 216 . 3 1 1 A 19 19 SER CB C 19 65.044 66.186 -1.142 1
1 217 . 3 1 1 A 19 19 SER N N 19 113.995 114.497 -0.502 1
1 218 . 3 1 1 A 20 20 PHE H H 20 7.753 7.960 -0.207 1
1 219 . 3 1 1 A 20 20 PHE HA H 20 3.514 4.065 -0.551 1
1 226 . 3 1 1 A 20 20 PHE C C 20 172.635 174.348 -1.713 1
1 227 . 3 1 1 A 20 20 PHE CA C 20 58.070 58.833 -0.763 1
1 228 . 3 1 1 A 20 20 PHE CB C 20 37.588 39.236 -1.648 1
1 233 . 3 1 1 A 20 20 PHE N N 20 124.690 126.980 -2.290 1
1 234 . 3 1 1 A 21 21 ASP H H 21 8.288 6.954 1.334 1
1 235 . 3 1 1 A 21 21 ASP HA H 21 4.351 4.614 -0.263 1
1 238 . 3 1 1 A 21 21 ASP CA C 21 51.826 52.255 -0.429 1
1 239 . 3 1 1 A 21 21 ASP CB C 21 38.598 44.468 -5.870 1
1 240 . 3 1 1 A 21 21 ASP N N 21 127.080 125.559 1.521 1
1 241 . 3 1 1 A 22 22 ASN HA H 22 3.766 4.666 -0.900 1
1 246 . 3 1 1 A 22 22 ASN C C 22 171.688 175.065 -3.377 1
1 247 . 3 1 1 A 22 22 ASN CA C 22 54.954 54.217 0.737 1
1 248 . 3 1 1 A 22 22 ASN CB C 22 37.641 37.989 -0.348 1
1 250 . 3 1 1 A 23 23 PHE H H 23 5.484 7.272 -1.788 1
1 251 . 3 1 1 A 23 23 PHE HA H 23 4.804 4.483 0.321 1
1 259 . 3 1 1 A 23 23 PHE C C 23 169.768 174.975 -5.207 1
1 260 . 3 1 1 A 23 23 PHE CA C 23 54.649 57.686 -3.037 1
1 261 . 3 1 1 A 23 23 PHE CB C 23 39.850 39.532 0.318 1
1 267 . 3 1 1 A 23 23 PHE N N 23 112.858 117.875 -5.017 1
1 268 . 3 1 1 A 24 24 LYS H H 24 8.329 9.065 -0.736 1
1 269 . 3 1 1 A 24 24 LYS HA H 24 3.719 3.653 0.066 1
1 278 . 3 1 1 A 24 24 LYS C C 24 171.959 175.761 -3.802 1
1 279 . 3 1 1 A 24 24 LYS CA C 24 53.756 54.910 -1.154 1
1 280 . 3 1 1 A 24 24 LYS CB C 24 36.279 33.038 3.241 1
1 284 . 3 1 1 A 24 24 LYS N N 24 119.724 123.325 -3.601 1
1 285 . 3 1 1 A 25 25 LEU H H 25 9.144 8.133 1.011 1
1 286 . 3 1 1 A 25 25 LEU HA H 25 5.462 5.232 0.230 1
1 296 . 3 1 1 A 25 25 LEU C C 25 174.609 176.036 -1.427 1
1 297 . 3 1 1 A 25 25 LEU CA C 25 53.208 53.332 -0.124 1
1 298 . 3 1 1 A 25 25 LEU CB C 25 41.419 44.402 -2.983 1
1 302 . 3 1 1 A 25 25 LEU N N 25 126.849 124.676 2.173 1
1 303 . 3 1 1 A 26 26 THR H H 26 8.956 8.820 0.136 1
1 304 . 3 1 1 A 26 26 THR HA H 26 4.471 5.256 -0.785 1
1 309 . 3 1 1 A 26 26 THR C C 26 169.524 173.159 -3.635 1
1 310 . 3 1 1 A 26 26 THR CA C 26 58.769 59.844 -1.075 1
1 311 . 3 1 1 A 26 26 THR CB C 26 69.971 72.280 -2.309 1
1 313 . 3 1 1 A 26 26 THR N N 26 113.907 113.235 0.672 1
1 314 . 3 1 1 A 27 27 CYS H H 27 8.507 8.567 -0.060 1
1 315 . 3 1 1 A 27 27 CYS HA H 27 4.509 4.929 -0.420 1
1 318 . 3 1 1 A 27 27 CYS C C 27 169.984 174.118 -4.134 1
1 319 . 3 1 1 A 27 27 CYS CA C 27 57.948 58.510 -0.562 1
1 320 . 3 1 1 A 27 27 CYS CB C 27 29.529 30.663 -1.134 1
1 321 . 3 1 1 A 27 27 CYS N N 27 120.842 118.866 1.976 1
1 322 . 3 1 1 A 28 28 SER H H 28 9.044 8.830 0.214 1
1 323 . 3 1 1 A 28 28 SER HA H 28 4.140 4.268 -0.128 1
1 326 . 3 1 1 A 28 28 SER C C 28 172.716 174.566 -1.850 1
1 327 . 3 1 1 A 28 28 SER CA C 28 60.986 61.931 -0.945 1
1 328 . 3 1 1 A 28 28 SER CB C 28 61.437 62.824 -1.387 1
1 329 . 3 1 1 A 28 28 SER N N 28 124.898 118.754 6.144 1
1 330 . 3 1 1 A 29 29 ASN H H 29 7.825 7.436 0.389 1
1 331 . 3 1 1 A 29 29 ASN HA H 29 4.951 4.697 0.254 1
1 336 . 3 1 1 A 29 29 ASN C C 29 171.688 176.013 -4.325 1
1 337 . 3 1 1 A 29 29 ASN CA C 29 52.155 53.215 -1.060 1
1 338 . 3 1 1 A 29 29 ASN CB C 29 36.980 39.264 -2.284 1
1 339 . 3 1 1 A 29 29 ASN N N 29 121.001 119.523 1.478 1
1 341 . 3 1 1 A 30 30 THR H H 30 8.062 8.631 -0.569 1
1 342 . 3 1 1 A 30 30 THR HA H 30 3.901 4.029 -0.128 1
1 347 . 3 1 1 A 30 30 THR C C 30 173.338 176.783 -3.445 1
1 348 . 3 1 1 A 30 30 THR CA C 30 64.874 66.186 -1.312 1
1 349 . 3 1 1 A 30 30 THR CB C 30 67.715 68.645 -0.930 1
1 351 . 3 1 1 A 30 30 THR N N 30 119.799 119.524 0.275 1
1 352 . 3 1 1 A 31 31 LYS H H 31 8.015 8.325 -0.310 1
1 353 . 3 1 1 A 31 31 LYS HA H 31 4.119 3.944 0.175 1
1 362 . 3 1 1 A 31 31 LYS C C 31 174.231 178.471 -4.240 1
1 363 . 3 1 1 A 31 31 LYS CA C 31 58.286 59.659 -1.373 1
1 364 . 3 1 1 A 31 31 LYS CB C 31 31.547 32.149 -0.602 1
1 368 . 3 1 1 A 31 31 LYS N N 31 122.845 122.404 0.441 1
1 369 . 3 1 1 A 32 32 PHE H H 32 7.739 8.800 -1.061 1
1 370 . 3 1 1 A 32 32 PHE HA H 32 4.652 4.257 0.395 1
1 378 . 3 1 1 A 32 32 PHE C C 32 174.691 177.170 -2.479 1
1 379 . 3 1 1 A 32 32 PHE CA C 32 59.954 61.899 -1.945 1
1 380 . 3 1 1 A 32 32 PHE CB C 32 38.444 39.398 -0.954 1
1 386 . 3 1 1 A 32 32 PHE N N 32 120.100 121.180 -1.080 1
1 387 . 3 1 1 A 33 33 ALA H H 33 6.955 8.018 -1.063 1
1 388 . 3 1 1 A 33 33 ALA HA H 33 3.555 4.130 -0.575 1
1 392 . 3 1 1 A 33 33 ALA C C 33 175.502 179.395 -3.893 1
1 393 . 3 1 1 A 33 33 ALA CA C 33 54.703 55.037 -0.334 1
1 394 . 3 1 1 A 33 33 ALA CB C 33 17.085 18.165 -1.080 1
1 395 . 3 1 1 A 33 33 ALA N N 33 116.140 120.890 -4.750 1
1 396 . 3 1 1 A 34 34 ASP H H 34 8.795 8.496 0.299 1
1 397 . 3 1 1 A 34 34 ASP HA H 34 4.367 4.388 -0.021 1
1 400 . 3 1 1 A 34 34 ASP C C 34 176.854 178.028 -1.174 1
1 401 . 3 1 1 A 34 34 ASP CA C 34 56.911 57.394 -0.483 1
1 402 . 3 1 1 A 34 34 ASP CB C 34 39.495 41.259 -1.764 1
1 403 . 3 1 1 A 34 34 ASP N N 34 118.170 118.799 -0.629 1
1 404 . 3 1 1 A 35 35 ASP H H 35 8.791 8.618 0.173 1
1 405 . 3 1 1 A 35 35 ASP HA H 35 4.360 4.371 -0.011 1
1 408 . 3 1 1 A 35 35 ASP C C 35 177.233 178.719 -1.486 1
1 409 . 3 1 1 A 35 35 ASP CA C 35 56.890 57.577 -0.687 1
1 410 . 3 1 1 A 35 35 ASP CB C 35 39.291 42.295 -3.004 1
1 411 . 3 1 1 A 35 35 ASP N N 35 121.921 119.563 2.358 1
1 412 . 3 1 1 A 36 36 LEU H H 36 7.792 7.780 0.012 1
1 413 . 3 1 1 A 36 36 LEU HA H 36 4.162 4.011 0.151 1
1 423 . 3 1 1 A 36 36 LEU C C 36 176.097 179.320 -3.223 1
1 424 . 3 1 1 A 36 36 LEU CA C 36 57.508 58.122 -0.614 1
1 425 . 3 1 1 A 36 36 LEU CB C 36 41.523 41.441 0.082 1
1 429 . 3 1 1 A 36 36 LEU N N 36 121.822 119.584 2.238 1
1 430 . 3 1 1 A 37 37 ASN H H 37 9.015 8.875 0.140 1
1 431 . 3 1 1 A 37 37 ASN HA H 37 4.733 4.510 0.223 1
1 436 . 3 1 1 A 37 37 ASN C C 37 176.232 178.476 -2.244 1
1 437 . 3 1 1 A 37 37 ASN CA C 37 54.288 56.601 -2.313 1
1 438 . 3 1 1 A 37 37 ASN CB C 37 37.337 38.093 -0.756 1
1 439 . 3 1 1 A 37 37 ASN N N 37 116.904 118.074 -1.170 1
1 441 . 3 1 1 A 38 38 GLN H H 38 8.218 7.715 0.503 1
1 442 . 3 1 1 A 38 38 GLN HA H 38 4.074 4.237 -0.163 1
1 447 . 3 1 1 A 38 38 GLN C C 38 175.773 178.935 -3.162 1
1 448 . 3 1 1 A 38 38 GLN CA C 38 58.134 58.416 -0.282 1
1 449 . 3 1 1 A 38 38 GLN CB C 38 27.676 27.903 -0.227 1
1 451 . 3 1 1 A 38 38 GLN N N 38 121.443 120.437 1.006 1
1 452 . 3 1 1 A 39 39 MET H H 39 7.487 8.185 -0.698 1
1 453 . 3 1 1 A 39 39 MET HA H 39 3.967 4.291 -0.324 1
1 461 . 3 1 1 A 39 39 MET C C 39 176.259 177.808 -1.549 1
1 462 . 3 1 1 A 39 39 MET CA C 39 58.374 58.077 0.297 1
1 463 . 3 1 1 A 39 39 MET CB C 39 33.000 32.531 0.469 1
1 466 . 3 1 1 A 39 39 MET N N 39 118.793 118.948 -0.155 1
1 467 . 3 1 1 A 40 40 THR H H 40 7.873 7.377 0.496 1
1 468 . 3 1 1 A 40 40 THR HA H 40 3.769 3.985 -0.216 1
1 473 . 3 1 1 A 40 40 THR C C 40 173.906 175.589 -1.683 1
1 474 . 3 1 1 A 40 40 THR CA C 40 61.739 62.763 -1.024 1
1 475 . 3 1 1 A 40 40 THR CB C 40 68.427 69.303 -0.876 1
1 477 . 3 1 1 A 40 40 THR N N 40 108.945 108.565 0.380 1
1 478 . 3 1 1 A 41 41 GLY H H 41 7.199 7.835 -0.636 1
1 479 . 3 1 1 A 41 41 GLY HA2 H 41 3.899 3.920 -0.021 1
1 480 . 3 1 1 A 41 41 GLY HA3 H 41 3.662 3.939 -0.277 1
1 481 . 3 1 1 A 41 41 GLY C C 41 171.661 174.485 -2.824 1
1 482 . 3 1 1 A 41 41 GLY CA C 41 44.926 45.512 -0.586 1
1 483 . 3 1 1 A 41 41 GLY N N 41 106.430 111.313 -4.883 1
1 484 . 3 1 1 A 42 42 PHE H H 42 7.876 8.216 -0.340 1
1 485 . 3 1 1 A 42 42 PHE HA H 42 4.682 4.609 0.073 1
1 493 . 3 1 1 A 42 42 PHE C C 42 171.499 174.788 -3.289 1
1 494 . 3 1 1 A 42 42 PHE CA C 42 57.793 59.190 -1.397 1
1 495 . 3 1 1 A 42 42 PHE CB C 42 39.422 39.702 -0.280 1
1 501 . 3 1 1 A 42 42 PHE N N 42 122.221 121.451 0.770 1
1 502 . 3 1 1 A 43 43 THR H H 43 8.418 8.416 0.002 1
1 503 . 3 1 1 A 43 43 THR HA H 43 3.665 4.186 -0.521 1
1 508 . 3 1 1 A 43 43 THR C C 43 168.767 173.660 -4.893 1
1 509 . 3 1 1 A 43 43 THR CA C 43 59.002 60.934 -1.932 1
1 510 . 3 1 1 A 43 43 THR CB C 43 70.919 71.371 -0.452 1
1 512 . 3 1 1 A 43 43 THR N N 43 123.470 123.237 0.233 1
1 513 . 3 1 1 A 44 44 LYS H H 44 7.999 8.131 -0.132 1
1 514 . 3 1 1 A 44 44 LYS HA H 44 3.924 4.562 -0.638 1
1 523 . 3 1 1 A 44 44 LYS CA C 44 54.785 54.899 -0.114 1
1 524 . 3 1 1 A 44 44 LYS CB C 44 31.047 31.425 -0.378 1
1 528 . 3 1 1 A 44 44 LYS N N 44 124.728 126.303 -1.575 1
1 529 . 3 1 1 A 45 45 PRO HA H 45 4.581 4.706 -0.125 1
1 536 . 3 1 1 A 45 45 PRO C C 45 172.770 177.035 -4.265 1
1 537 . 3 1 1 A 45 45 PRO CA C 45 60.970 62.522 -1.552 1
1 538 . 3 1 1 A 45 45 PRO CB C 45 33.754 32.378 1.376 1
1 541 . 3 1 1 A 46 46 ALA H H 46 8.715 8.450 0.265 1
1 542 . 3 1 1 A 46 46 ALA HA H 46 4.674 4.738 -0.064 1
1 546 . 3 1 1 A 46 46 ALA C C 46 175.827 177.502 -1.675 1
1 547 . 3 1 1 A 46 46 ALA CA C 46 50.851 52.549 -1.698 1
1 548 . 3 1 1 A 46 46 ALA CB C 46 20.458 19.344 1.114 1
1 549 . 3 1 1 A 46 46 ALA N N 46 123.249 124.714 -1.465 1
1 550 . 3 1 1 A 47 47 SER H H 47 8.518 9.003 -0.485 1
1 551 . 3 1 1 A 47 47 SER HA H 47 4.202 4.655 -0.453 1
1 554 . 3 1 1 A 47 47 SER C C 47 171.769 174.080 -2.311 1
1 555 . 3 1 1 A 47 47 SER CA C 47 58.740 59.340 -0.600 1
1 556 . 3 1 1 A 47 47 SER CB C 47 62.419 64.315 -1.896 1
1 557 . 3 1 1 A 47 47 SER N N 47 117.696 116.283 1.413 1
1 558 . 3 1 1 A 48 48 ARG H H 48 7.276 7.593 -0.317 1
1 559 . 3 1 1 A 48 48 ARG HA H 48 4.466 4.889 -0.423 1
1 566 . 3 1 1 A 48 48 ARG C C 48 170.417 174.735 -4.318 1
1 567 . 3 1 1 A 48 48 ARG CA C 48 54.164 54.681 -0.517 1
1 568 . 3 1 1 A 48 48 ARG CB C 48 29.775 35.297 -5.522 1
1 571 . 3 1 1 A 48 48 ARG N N 48 115.830 118.348 -2.518 1
1 572 . 3 1 1 A 49 49 GLU H H 49 8.681 8.786 -0.105 1
1 573 . 3 1 1 A 49 49 GLU HA H 49 5.373 5.036 0.337 1
1 578 . 3 1 1 A 49 49 GLU C C 49 172.716 175.657 -2.941 1
1 579 . 3 1 1 A 49 49 GLU CA C 49 53.744 55.315 -1.571 1
1 580 . 3 1 1 A 49 49 GLU CB C 49 32.057 31.070 0.987 1
1 582 . 3 1 1 A 49 49 GLU N N 49 119.800 120.457 -0.657 1
1 583 . 3 1 1 A 50 50 LEU H H 50 8.720 9.107 -0.387 1
1 584 . 3 1 1 A 50 50 LEU HA H 50 4.821 4.317 0.504 1
1 594 . 3 1 1 A 50 50 LEU C C 50 171.932 175.783 -3.851 1
1 595 . 3 1 1 A 50 50 LEU CA C 50 52.447 55.151 -2.704 1
1 596 . 3 1 1 A 50 50 LEU CB C 50 44.748 42.584 2.164 1
1 600 . 3 1 1 A 50 50 LEU N N 50 124.747 126.202 -1.455 1
1 601 . 3 1 1 A 51 51 SER H H 51 9.560 8.482 1.078 1
1 602 . 3 1 1 A 51 51 SER HA H 51 4.881 5.388 -0.507 1
1 605 . 3 1 1 A 51 51 SER C C 51 171.769 172.767 -0.998 1
1 606 . 3 1 1 A 51 51 SER CA C 51 55.707 56.891 -1.184 1
1 607 . 3 1 1 A 51 51 SER CB C 51 64.701 65.964 -1.263 1
1 608 . 3 1 1 A 51 51 SER N N 51 119.156 113.947 5.209 1
1 609 . 3 1 1 A 52 52 VAL H H 52 8.416 8.643 -0.227 1
1 610 . 3 1 1 A 52 52 VAL HA H 52 5.196 5.267 -0.071 1
1 618 . 3 1 1 A 52 52 VAL CA C 52 59.207 60.246 -1.039 1
1 619 . 3 1 1 A 52 52 VAL CB C 52 33.156 35.517 -2.361 1
1 622 . 3 1 1 A 52 52 VAL N N 52 121.797 123.320 -1.523 1
1 623 . 3 1 1 A 53 53 THR H H 53 8.383 8.628 -0.245 1
1 624 . 3 1 1 A 53 53 THR HA H 53 4.358 5.081 -0.723 1
1 629 . 3 1 1 A 53 53 THR C C 53 169.741 172.899 -3.158 1
1 630 . 3 1 1 A 53 53 THR CA C 53 58.375 59.742 -1.367 1
1 631 . 3 1 1 A 53 53 THR CB C 53 70.707 71.842 -1.135 1
1 633 . 3 1 1 A 53 53 THR N N 53 117.287 117.760 -0.473 1
1 634 . 3 1 1 A 54 54 PHE H H 54 8.737 9.060 -0.323 1
1 635 . 3 1 1 A 54 54 PHE HA H 54 4.536 4.793 -0.257 1
1 643 . 3 1 1 A 54 54 PHE C C 54 172.986 175.824 -2.838 1
1 644 . 3 1 1 A 54 54 PHE CA C 54 57.064 57.227 -0.163 1
1 645 . 3 1 1 A 54 54 PHE CB C 54 38.755 39.548 -0.793 1
1 651 . 3 1 1 A 54 54 PHE N N 54 118.180 123.491 -5.311 1
1 652 . 3 1 1 A 55 55 PHE H H 55 9.167 8.549 0.618 1
1 653 . 3 1 1 A 55 55 PHE HA H 55 3.715 4.436 -0.721 1
1 660 . 3 1 1 A 55 55 PHE CA C 55 57.908 57.526 0.382 1
1 661 . 3 1 1 A 55 55 PHE CB C 55 39.594 39.364 0.230 1
1 666 . 3 1 1 A 55 55 PHE N N 55 128.290 125.038 3.252 1
1 667 . 3 1 1 A 56 56 PRO HA H 56 2.356 3.566 -1.210 1
1 674 . 3 1 1 A 56 56 PRO C C 56 171.012 175.645 -4.633 1
1 675 . 3 1 1 A 56 56 PRO CA C 56 62.611 63.566 -0.955 1
1 676 . 3 1 1 A 56 56 PRO CB C 56 32.522 32.038 0.484 1
1 679 . 3 1 1 A 57 57 ASP H H 57 9.009 7.584 1.425 1
1 680 . 3 1 1 A 57 57 ASP HA H 57 4.289 4.494 -0.205 1
1 683 . 3 1 1 A 57 57 ASP C C 57 173.257 177.088 -3.831 1
1 684 . 3 1 1 A 57 57 ASP CA C 57 53.752 54.564 -0.812 1
1 685 . 3 1 1 A 57 57 ASP CB C 57 40.067 41.362 -1.295 1
1 686 . 3 1 1 A 57 57 ASP N N 57 127.876 121.454 6.422 1
1 687 . 3 1 1 A 58 58 LEU H H 58 8.368 8.363 0.005 1
1 688 . 3 1 1 A 58 58 LEU HA H 58 4.229 4.927 -0.698 1
1 698 . 3 1 1 A 58 58 LEU C C 58 174.285 177.431 -3.146 1
1 699 . 3 1 1 A 58 58 LEU CA C 58 52.468 53.694 -1.226 1
1 700 . 3 1 1 A 58 58 LEU CB C 58 40.258 42.021 -1.763 1
1 704 . 3 1 1 A 58 58 LEU N N 58 128.010 118.376 9.634 1
1 705 . 3 1 1 A 59 59 ASN H H 59 8.430 8.217 0.213 1
1 706 . 3 1 1 A 59 59 ASN HA H 59 4.198 4.434 -0.236 1
1 711 . 3 1 1 A 59 59 ASN C C 59 173.636 177.030 -3.394 1
1 712 . 3 1 1 A 59 59 ASN CA C 59 54.945 55.723 -0.778 1
1 713 . 3 1 1 A 59 59 ASN CB C 59 38.175 38.191 -0.016 1
1 714 . 3 1 1 A 59 59 ASN N N 59 116.745 119.144 -2.399 1
1 716 . 3 1 1 A 60 60 GLY H H 60 8.083 7.922 0.161 1
1 717 . 3 1 1 A 60 60 GLY HA2 H 60 3.766 3.997 -0.231 1
1 718 . 3 1 1 A 60 60 GLY HA3 H 60 3.326 4.009 -0.683 1
1 719 . 3 1 1 A 60 60 GLY C C 60 169.876 174.542 -4.666 1
1 720 . 3 1 1 A 60 60 GLY CA C 60 44.285 45.252 -0.967 1
1 721 . 3 1 1 A 60 60 GLY N N 60 110.045 107.585 2.460 1
1 722 . 3 1 1 A 61 61 ASP H H 61 8.084 8.731 -0.647 1
1 723 . 3 1 1 A 61 61 ASP HA H 61 4.200 4.464 -0.264 1
1 726 . 3 1 1 A 61 61 ASP C C 61 172.283 176.086 -3.803 1
1 727 . 3 1 1 A 61 61 ASP CA C 61 56.865 55.265 1.600 1
1 728 . 3 1 1 A 61 61 ASP CB C 61 42.113 41.742 0.371 1
1 729 . 3 1 1 A 61 61 ASP N N 61 121.395 119.438 1.957 1
1 730 . 3 1 1 A 62 62 VAL H H 62 8.387 7.396 0.991 1
1 731 . 3 1 1 A 62 62 VAL HA H 62 4.096 4.744 -0.648 1
1 739 . 3 1 1 A 62 62 VAL C C 62 171.255 174.252 -2.997 1
1 740 . 3 1 1 A 62 62 VAL CA C 62 58.914 60.342 -1.428 1
1 741 . 3 1 1 A 62 62 VAL CB C 62 34.433 36.263 -1.830 1
1 744 . 3 1 1 A 62 62 VAL N N 62 117.701 118.026 -0.325 1
1 745 . 3 1 1 A 63 63 VAL H H 63 8.251 8.576 -0.325 1
1 746 . 3 1 1 A 63 63 VAL HA H 63 4.637 4.947 -0.310 1
1 754 . 3 1 1 A 63 63 VAL C C 63 171.282 174.455 -3.173 1
1 755 . 3 1 1 A 63 63 VAL CA C 63 59.233 60.326 -1.093 1
1 756 . 3 1 1 A 63 63 VAL CB C 63 33.531 34.929 -1.398 1
1 759 . 3 1 1 A 63 63 VAL N N 63 125.341 125.190 0.151 1
1 760 . 3 1 1 A 64 64 ALA H H 64 9.316 8.860 0.456 1
1 761 . 3 1 1 A 64 64 ALA HA H 64 5.036 5.346 -0.310 1
1 765 . 3 1 1 A 64 64 ALA C C 64 173.825 175.862 -2.037 1
1 766 . 3 1 1 A 64 64 ALA CA C 64 49.059 50.088 -1.029 1
1 767 . 3 1 1 A 64 64 ALA CB C 64 20.323 22.116 -1.793 1
1 768 . 3 1 1 A 64 64 ALA N N 64 128.526 127.047 1.479 1
1 769 . 3 1 1 A 65 65 ILE H H 65 9.451 9.378 0.073 1
1 770 . 3 1 1 A 65 65 ILE HA H 65 4.475 4.723 -0.248 1
1 780 . 3 1 1 A 65 65 ILE C C 65 172.121 174.595 -2.474 1
1 781 . 3 1 1 A 65 65 ILE CA C 65 56.490 59.571 -3.081 1
1 782 . 3 1 1 A 65 65 ILE CB C 65 37.474 41.428 -3.954 1
1 786 . 3 1 1 A 65 65 ILE N N 65 126.677 121.609 5.068 1
1 787 . 3 1 1 A 66 66 ASP H H 66 9.165 8.728 0.437 1
1 788 . 3 1 1 A 66 66 ASP HA H 66 4.045 4.036 0.009 1
1 791 . 3 1 1 A 66 66 ASP C C 66 174.663 177.168 -2.505 1
1 792 . 3 1 1 A 66 66 ASP CA C 66 54.199 54.505 -0.306 1
1 793 . 3 1 1 A 66 66 ASP CB C 66 42.211 42.692 -0.481 1
1 794 . 3 1 1 A 66 66 ASP N N 66 128.723 126.519 2.204 1
1 795 . 3 1 1 A 67 67 TYR H H 67 8.919 8.902 0.017 1
1 796 . 3 1 1 A 67 67 TYR HA H 67 4.344 4.120 0.224 1
1 801 . 3 1 1 A 67 67 TYR C C 67 173.257 177.242 -3.985 1
1 802 . 3 1 1 A 67 67 TYR CA C 67 59.614 61.709 -2.095 1
1 803 . 3 1 1 A 67 67 TYR CB C 67 39.338 38.877 0.461 1
1 806 . 3 1 1 A 67 67 TYR N N 67 127.739 128.379 -0.640 1
1 807 . 3 1 1 A 68 68 ARG H H 68 9.459 8.304 1.155 1
1 808 . 3 1 1 A 68 68 ARG HA H 68 3.923 4.039 -0.116 1
1 815 . 3 1 1 A 68 68 ARG C C 68 174.150 177.807 -3.657 1
1 816 . 3 1 1 A 68 68 ARG CA C 68 57.691 59.424 -1.733 1
1 817 . 3 1 1 A 68 68 ARG CB C 68 27.945 30.221 -2.276 1
1 820 . 3 1 1 A 68 68 ARG N N 68 121.666 118.881 2.785 1
1 821 . 3 1 1 A 69 69 HIS H H 69 8.146 7.980 0.166 1
1 822 . 3 1 1 A 69 69 HIS HA H 69 4.538 4.552 -0.014 1
1 826 . 3 1 1 A 69 69 HIS C C 69 171.391 174.804 -3.413 1
1 827 . 3 1 1 A 69 69 HIS CA C 69 55.405 56.576 -1.171 1
1 828 . 3 1 1 A 69 69 HIS CB C 69 29.458 29.535 -0.077 1
1 830 . 3 1 1 A 69 69 HIS N N 69 117.372 114.799 2.573 1
1 831 . 3 1 1 A 70 70 TYR H H 70 7.468 7.695 -0.227 1
1 832 . 3 1 1 A 70 70 TYR HA H 70 3.431 3.685 -0.254 1
1 839 . 3 1 1 A 70 70 TYR C C 70 171.904 174.230 -2.326 1
1 840 . 3 1 1 A 70 70 TYR CA C 70 60.020 55.734 4.286 1
1 841 . 3 1 1 A 70 70 TYR CB C 70 37.554 36.870 0.684 1
1 846 . 3 1 1 A 70 70 TYR N N 70 121.636 122.145 -0.509 1
1 847 . 3 1 1 A 71 71 SER H H 71 5.657 8.640 -2.983 1
1 848 . 3 1 1 A 71 71 SER HA H 71 3.958 4.528 -0.570 1
1 851 . 3 1 1 A 71 71 SER C C 71 170.390 175.395 -5.005 1
1 852 . 3 1 1 A 71 71 SER CA C 71 55.267 56.291 -1.024 1
1 853 . 3 1 1 A 71 71 SER CB C 71 64.410 65.064 -0.654 1
1 854 . 3 1 1 A 71 71 SER N N 71 120.240 123.784 -3.544 1
1 855 . 3 1 1 A 72 72 ALA H H 72 8.461 8.850 -0.389 1
1 856 . 3 1 1 A 72 72 ALA HA H 72 3.757 3.746 0.011 1
1 860 . 3 1 1 A 72 72 ALA CA C 72 54.250 55.061 -0.811 1
1 861 . 3 1 1 A 72 72 ALA CB C 72 17.423 18.231 -0.808 1
1 862 . 3 1 1 A 72 72 ALA N N 72 123.497 128.411 -4.914 1
1 863 . 3 1 1 A 73 73 SER HA H 73 3.904 3.853 0.051 1
1 866 . 3 1 1 A 73 73 SER C C 73 172.500 175.384 -2.884 1
1 867 . 3 1 1 A 73 73 SER CA C 73 59.873 61.971 -2.098 1
1 868 . 3 1 1 A 73 73 SER CB C 73 61.769 62.734 -0.965 1
1 869 . 3 1 1 A 74 74 PHE H H 74 7.508 7.516 -0.008 1
1 870 . 3 1 1 A 74 74 PHE HA H 74 5.163 4.725 0.438 1
1 877 . 3 1 1 A 74 74 PHE C C 74 173.987 176.646 -2.659 1
1 878 . 3 1 1 A 74 74 PHE CA C 74 53.320 58.321 -5.001 1
1 879 . 3 1 1 A 74 74 PHE CB C 74 37.854 38.754 -0.900 1
1 884 . 3 1 1 A 74 74 PHE N N 74 118.853 117.326 1.527 1
1 885 . 3 1 1 A 75 75 LYS H H 75 7.245 8.054 -0.809 1
1 886 . 3 1 1 A 75 75 LYS HA H 75 4.200 4.087 0.113 1
1 895 . 3 1 1 A 75 75 LYS C C 75 173.717 177.174 -3.457 1
1 896 . 3 1 1 A 75 75 LYS CA C 75 59.003 59.362 -0.359 1
1 897 . 3 1 1 A 75 75 LYS CB C 75 31.846 31.980 -0.134 1
1 901 . 3 1 1 A 75 75 LYS N N 75 121.129 120.386 0.743 1
1 902 . 3 1 1 A 76 76 LYS H H 76 7.841 7.721 0.120 1
1 903 . 3 1 1 A 76 76 LYS HA H 76 3.738 2.469 1.269 1
1 912 . 3 1 1 A 76 76 LYS C C 76 170.200 175.439 -5.239 1
1 913 . 3 1 1 A 76 76 LYS CA C 76 55.114 54.481 0.633 1
1 914 . 3 1 1 A 76 76 LYS CB C 76 32.393 32.630 -0.237 1
1 918 . 3 1 1 A 76 76 LYS N N 76 114.423 117.474 -3.051 1
1 919 . 3 1 1 A 77 77 GLY H H 77 7.239 7.282 -0.043 1
1 920 . 3 1 1 A 77 77 GLY HA2 H 77 3.737 4.089 -0.352 1
1 921 . 3 1 1 A 77 77 GLY HA3 H 77 4.771 4.090 0.681 1
1 922 . 3 1 1 A 77 77 GLY C C 77 170.795 172.437 -1.642 1
1 923 . 3 1 1 A 77 77 GLY CA C 77 43.770 44.016 -0.246 1
1 924 . 3 1 1 A 77 77 GLY N N 77 103.318 107.405 -4.087 1
1 925 . 3 1 1 A 78 78 ALA H H 78 6.868 8.365 -1.497 1
1 926 . 3 1 1 A 78 78 ALA HA H 78 4.982 5.136 -0.154 1
1 930 . 3 1 1 A 78 78 ALA C C 78 171.904 175.424 -3.520 1
1 931 . 3 1 1 A 78 78 ALA CA C 78 49.907 51.280 -1.373 1
1 932 . 3 1 1 A 78 78 ALA CB C 78 22.601 23.459 -0.858 1
1 933 . 3 1 1 A 78 78 ALA N N 78 117.057 121.061 -4.004 1
1 934 . 3 1 1 A 79 79 LYS H H 79 8.765 8.810 -0.045 1
1 935 . 3 1 1 A 79 79 LYS HA H 79 4.636 4.971 -0.335 1
1 944 . 3 1 1 A 79 79 LYS C C 79 171.039 174.462 -3.423 1
1 945 . 3 1 1 A 79 79 LYS CA C 79 54.485 54.616 -0.131 1
1 946 . 3 1 1 A 79 79 LYS CB C 79 35.963 36.283 -0.320 1
1 950 . 3 1 1 A 79 79 LYS N N 79 117.018 115.706 1.312 1
1 951 . 3 1 1 A 80 80 LEU H H 80 8.782 8.890 -0.108 1
1 952 . 3 1 1 A 80 80 LEU HA H 80 4.459 4.600 -0.141 1
1 962 . 3 1 1 A 80 80 LEU C C 80 173.095 177.410 -4.315 1
1 963 . 3 1 1 A 80 80 LEU CA C 80 52.743 53.201 -0.458 1
1 964 . 3 1 1 A 80 80 LEU CB C 80 42.494 44.115 -1.621 1
1 968 . 3 1 1 A 80 80 LEU N N 80 122.496 123.308 -0.812 1
1 969 . 3 1 1 A 81 81 LEU H H 81 8.636 8.635 0.001 1
1 970 . 3 1 1 A 81 81 LEU HA H 81 3.578 3.964 -0.386 1
1 980 . 3 1 1 A 81 81 LEU CA C 81 57.316 58.252 -0.936 1
1 981 . 3 1 1 A 81 81 LEU CB C 81 39.032 41.841 -2.809 1
1 985 . 3 1 1 A 81 81 LEU N N 81 125.060 121.689 3.371 1
1 986 . 3 1 1 A 82 82 HIS H H 82 8.379 7.343 1.036 1
1 987 . 3 1 1 A 82 82 HIS HA H 82 4.551 4.798 -0.247 1
1 992 . 3 1 1 A 82 82 HIS C C 82 172.635 174.023 -1.388 1
1 993 . 3 1 1 A 82 82 HIS CA C 82 55.432 55.101 0.331 1
1 994 . 3 1 1 A 82 82 HIS CB C 82 29.646 31.017 -1.371 1
1 997 . 3 1 1 A 82 82 HIS N N 82 114.387 110.832 3.555 1
1 998 . 3 1 1 A 83 83 LYS H H 83 8.023 7.529 0.494 1
1 999 . 3 1 1 A 83 83 LYS HA H 83 4.670 4.673 -0.003 1
1 1008 . 3 1 1 A 83 83 LYS CA C 83 52.041 53.032 -0.991 1
1 1009 . 3 1 1 A 83 83 LYS CB C 83 32.741 34.361 -1.620 1
1 1013 . 3 1 1 A 83 83 LYS N N 83 122.886 119.384 3.502 1
1 1014 . 3 1 1 A 84 84 PRO HA H 84 4.585 4.631 -0.046 1
1 1021 . 3 1 1 A 84 84 PRO C C 84 172.797 176.255 -3.458 1
1 1022 . 3 1 1 A 84 84 PRO CA C 84 62.050 62.453 -0.403 1
1 1023 . 3 1 1 A 84 84 PRO CB C 84 32.770 32.499 0.271 1
1 1026 . 3 1 1 A 85 85 ILE H H 85 6.185 7.663 -1.478 1
1 1027 . 3 1 1 A 85 85 ILE HA H 85 5.743 5.267 0.476 1
1 1037 . 3 1 1 A 85 85 ILE C C 85 174.366 174.447 -0.081 1
1 1038 . 3 1 1 A 85 85 ILE CA C 85 57.032 58.325 -1.293 1
1 1039 . 3 1 1 A 85 85 ILE CB C 85 41.265 41.703 -0.438 1
1 1043 . 3 1 1 A 85 85 ILE N N 85 107.777 116.065 -8.288 1
1 1044 . 3 1 1 A 86 86 VAL H H 86 7.552 8.556 -1.004 1
1 1045 . 3 1 1 A 86 86 VAL HA H 86 4.278 4.739 -0.461 1
1 1053 . 3 1 1 A 86 86 VAL CA C 86 59.345 58.663 0.682 1
1 1054 . 3 1 1 A 86 86 VAL CB C 86 34.990 35.096 -0.106 1
1 1057 . 3 1 1 A 86 86 VAL N N 86 109.584 117.497 -7.913 1
1 1058 . 3 1 1 A 87 87 TRP H H 87 10.036 8.722 1.314 1
1 1059 . 3 1 1 A 87 87 TRP HA H 87 6.158 5.724 0.434 1
1 1068 . 3 1 1 A 87 87 TRP C C 87 174.393 176.373 -1.980 1
1 1069 . 3 1 1 A 87 87 TRP CA C 87 55.238 56.760 -1.522 1
1 1070 . 3 1 1 A 87 87 TRP CB C 87 32.786 31.886 0.900 1
1 1076 . 3 1 1 A 87 87 TRP N N 87 122.256 122.653 -0.397 1
1 1078 . 3 1 1 A 88 88 HIS H H 88 8.802 8.880 -0.078 1
1 1079 . 3 1 1 A 88 88 HIS HA H 88 5.383 6.050 -0.667 1
1 1085 . 3 1 1 A 88 88 HIS CA C 88 53.902 53.995 -0.093 1
1 1086 . 3 1 1 A 88 88 HIS CB C 88 37.553 33.744 3.809 1
1 1089 . 3 1 1 A 88 88 HIS N N 88 116.636 117.231 -0.595 1
1 1090 . 3 1 1 A 89 89 ILE H H 89 9.197 9.004 0.193 1
1 1091 . 3 1 1 A 89 89 ILE HA H 89 4.022 4.344 -0.322 1
1 1101 . 3 1 1 A 89 89 ILE C C 89 174.582 175.904 -1.322 1
1 1102 . 3 1 1 A 89 89 ILE CA C 89 61.042 60.666 0.376 1
1 1103 . 3 1 1 A 89 89 ILE CB C 89 40.176 39.114 1.062 1
1 1107 . 3 1 1 A 89 89 ILE N N 89 118.669 122.005 -3.336 1
1 1108 . 3 1 1 A 90 90 ASN H H 90 9.688 7.852 1.836 1
1 1109 . 3 1 1 A 90 90 ASN HA H 90 4.281 4.870 -0.589 1
1 1114 . 3 1 1 A 90 90 ASN C C 90 171.418 174.803 -3.385 1
1 1115 . 3 1 1 A 90 90 ASN CA C 90 53.724 52.241 1.483 1
1 1116 . 3 1 1 A 90 90 ASN CB C 90 36.919 38.519 -1.600 1
1 1117 . 3 1 1 A 90 90 ASN N N 90 128.710 117.960 10.750 1
1 1119 . 3 1 1 A 91 91 GLN H H 91 10.928 7.708 3.220 1
1 1120 . 3 1 1 A 91 91 GLN HA H 91 2.586 2.683 -0.097 1
1 1127 . 3 1 1 A 91 91 GLN C C 91 170.146 173.989 -3.843 1
1 1128 . 3 1 1 A 91 91 GLN CA C 91 55.444 56.638 -1.194 1
1 1129 . 3 1 1 A 91 91 GLN CB C 91 23.948 26.170 -2.222 1
1 1131 . 3 1 1 A 91 91 GLN N N 91 112.871 112.179 0.692 1
1 1133 . 3 1 1 A 92 92 ALA H H 92 7.692 7.477 0.215 1
1 1134 . 3 1 1 A 92 92 ALA HA H 92 4.979 5.259 -0.280 1
1 1138 . 3 1 1 A 92 92 ALA C C 92 174.068 175.418 -1.350 1
1 1139 . 3 1 1 A 92 92 ALA CA C 92 49.792 51.114 -1.322 1
1 1140 . 3 1 1 A 92 92 ALA CB C 92 21.832 23.348 -1.516 1
1 1141 . 3 1 1 A 92 92 ALA N N 92 118.287 119.368 -1.081 1
1 1142 . 3 1 1 A 93 93 THR H H 93 9.026 9.089 -0.063 1
1 1143 . 3 1 1 A 93 93 THR HA H 93 5.281 5.478 -0.197 1
1 1148 . 3 1 1 A 93 93 THR C C 93 170.768 172.911 -2.143 1
1 1149 . 3 1 1 A 93 93 THR CA C 93 58.597 60.114 -1.517 1
1 1150 . 3 1 1 A 93 93 THR CB C 93 70.855 72.622 -1.767 1
1 1152 . 3 1 1 A 93 93 THR N N 93 114.894 113.421 1.473 1
1 1153 . 3 1 1 A 94 94 THR H H 94 8.292 8.369 -0.077 1
1 1154 . 3 1 1 A 94 94 THR HA H 94 4.903 4.950 -0.047 1
1 1159 . 3 1 1 A 94 94 THR CA C 94 58.800 59.480 -0.680 1
1 1160 . 3 1 1 A 94 94 THR CB C 94 71.488 72.396 -0.908 1
1 1162 . 3 1 1 A 94 94 THR N N 94 119.907 117.957 1.950 1
1 1163 . 3 1 1 A 95 95 LYS HA H 95 4.056 4.165 -0.109 1
1 1172 . 3 1 1 A 95 95 LYS CA C 95 59.376 59.220 0.156 1
1 1173 . 3 1 1 A 95 95 LYS CB C 95 31.083 32.031 -0.948 1
1 1177 . 3 1 1 A 96 96 THR H H 96 7.773 7.874 -0.101 1
1 1178 . 3 1 1 A 96 96 THR HA H 96 3.798 4.087 -0.289 1
1 1183 . 3 1 1 A 96 96 THR C C 96 171.850 176.543 -4.693 1
1 1184 . 3 1 1 A 96 96 THR CA C 96 64.506 66.996 -2.490 1
1 1185 . 3 1 1 A 96 96 THR CB C 96 68.405 68.670 -0.265 1
1 1187 . 3 1 1 A 96 96 THR N N 96 113.841 116.317 -2.476 1
1 1188 . 3 1 1 A 97 97 THR H H 97 6.795 8.056 -1.261 1
1 1189 . 3 1 1 A 97 97 THR HA H 97 3.604 4.387 -0.783 1
1 1194 . 3 1 1 A 97 97 THR C C 97 171.959 176.217 -4.258 1
1 1195 . 3 1 1 A 97 97 THR CA C 97 61.209 63.417 -2.208 1
1 1196 . 3 1 1 A 97 97 THR CB C 97 67.962 69.210 -1.248 1
1 1198 . 3 1 1 A 97 97 THR N N 97 105.731 110.355 -4.624 1
1 1199 . 3 1 1 A 98 98 PHE H H 98 7.410 8.154 -0.744 1
1 1200 . 3 1 1 A 98 98 PHE HA H 98 4.220 3.995 0.225 1
1 1207 . 3 1 1 A 98 98 PHE C C 98 174.528 177.144 -2.616 1
1 1208 . 3 1 1 A 98 98 PHE CA C 98 61.879 61.797 0.082 1
1 1209 . 3 1 1 A 98 98 PHE CB C 98 38.875 39.353 -0.478 1
1 1214 . 3 1 1 A 98 98 PHE N N 98 126.402 123.060 3.342 1
1 1215 . 3 1 1 A 99 99 LYS H H 99 9.459 8.021 1.438 1
1 1216 . 3 1 1 A 99 99 LYS HA H 99 4.089 3.183 0.906 1
1 1225 . 3 1 1 A 99 99 LYS CA C 99 60.763 61.048 -0.285 1
1 1226 . 3 1 1 A 99 99 LYS CB C 99 28.635 31.010 -2.375 1
1 1230 . 3 1 1 A 99 99 LYS N N 99 121.490 117.247 4.243 1
1 1231 . 3 1 1 A 100 100 PRO HA H 100 4.922 4.598 0.324 1
1 1238 . 3 1 1 A 100 100 PRO C C 100 177.314 179.016 -1.702 1
1 1239 . 3 1 1 A 100 100 PRO CA C 100 66.173 65.213 0.960 1
1 1240 . 3 1 1 A 100 100 PRO CB C 100 31.535 30.966 0.569 1
1 1243 . 3 1 1 A 101 101 ASN H H 101 8.530 8.298 0.232 1
1 1244 . 3 1 1 A 101 101 ASN HA H 101 5.244 4.499 0.745 1
1 1249 . 3 1 1 A 101 101 ASN C C 101 175.204 177.751 -2.547 1
1 1250 . 3 1 1 A 101 101 ASN CA C 101 54.555 55.661 -1.106 1
1 1251 . 3 1 1 A 101 101 ASN CB C 101 36.187 38.227 -2.040 1
1 1252 . 3 1 1 A 101 101 ASN N N 101 115.238 116.049 -0.811 1
1 1254 . 3 1 1 A 102 102 THR H H 102 8.488 7.866 0.622 1
1 1255 . 3 1 1 A 102 102 THR HA H 102 4.184 3.915 0.269 1
1 1260 . 3 1 1 A 102 102 THR C C 102 171.472 176.784 -5.312 1
1 1261 . 3 1 1 A 102 102 THR CA C 102 67.543 65.606 1.937 1
1 1262 . 3 1 1 A 102 102 THR CB C 102 67.001 67.772 -0.771 1
1 1264 . 3 1 1 A 102 102 THR N N 102 120.254 111.237 9.017 1
1 1265 . 3 1 1 A 103 103 TRP H H 103 7.283 7.988 -0.705 1
1 1266 . 3 1 1 A 103 103 TRP HA H 103 3.986 4.412 -0.426 1
1 1275 . 3 1 1 A 103 103 TRP C C 103 175.800 178.612 -2.812 1
1 1276 . 3 1 1 A 103 103 TRP CA C 103 60.856 59.956 0.900 1
1 1277 . 3 1 1 A 103 103 TRP CB C 103 27.948 28.929 -0.981 1
1 1283 . 3 1 1 A 103 103 TRP N N 103 121.763 121.372 0.391 1
1 1285 . 3 1 1 A 104 104 CYS H H 104 8.233 7.778 0.455 1
1 1286 . 3 1 1 A 104 104 CYS HA H 104 4.272 4.131 0.141 1
1 1289 . 3 1 1 A 104 104 CYS C C 104 176.259 176.905 -0.646 1
1 1290 . 3 1 1 A 104 104 CYS CA C 104 65.226 62.370 2.856 1
1 1291 . 3 1 1 A 104 104 CYS CB C 104 26.949 27.057 -0.108 1
1 1292 . 3 1 1 A 104 104 CYS N N 104 118.046 119.255 -1.209 1
1 1293 . 3 1 1 A 105 105 LEU H H 105 8.726 7.938 0.788 1
1 1294 . 3 1 1 A 105 105 LEU HA H 105 4.000 3.970 0.030 1
1 1304 . 3 1 1 A 105 105 LEU C C 105 176.205 179.087 -2.882 1
1 1305 . 3 1 1 A 105 105 LEU CA C 105 57.810 57.905 -0.095 1
1 1306 . 3 1 1 A 105 105 LEU CB C 105 40.484 41.337 -0.853 1
1 1310 . 3 1 1 A 105 105 LEU N N 105 120.557 120.948 -0.391 1
1 1311 . 3 1 1 A 106 106 ARG H H 106 6.990 8.048 -1.058 1
1 1312 . 3 1 1 A 106 106 ARG HA H 106 2.054 2.611 -0.557 1
1 1319 . 3 1 1 A 106 106 ARG C C 106 177.179 177.868 -0.689 1
1 1320 . 3 1 1 A 106 106 ARG CA C 106 57.405 58.224 -0.819 1
1 1321 . 3 1 1 A 106 106 ARG CB C 106 29.269 29.227 0.042 1
1 1324 . 3 1 1 A 106 106 ARG N N 106 118.050 118.103 -0.053 1
1 1325 . 3 1 1 A 107 107 CYS H H 107 7.623 7.645 -0.022 1
1 1326 . 3 1 1 A 107 107 CYS HA H 107 4.031 4.318 -0.287 1
1 1329 . 3 1 1 A 107 107 CYS C C 107 172.337 175.432 -3.095 1
1 1330 . 3 1 1 A 107 107 CYS CA C 107 63.291 60.882 2.409 1
1 1331 . 3 1 1 A 107 107 CYS CB C 107 26.214 27.095 -0.881 1
1 1332 . 3 1 1 A 107 107 CYS N N 107 117.028 119.089 -2.061 1
1 1333 . 3 1 1 A 108 108 LEU H H 108 7.484 7.625 -0.141 1
1 1334 . 3 1 1 A 108 108 LEU HA H 108 4.159 4.253 -0.094 1
1 1344 . 3 1 1 A 108 108 LEU C C 108 174.582 177.146 -2.564 1
1 1345 . 3 1 1 A 108 108 LEU CA C 108 54.203 54.362 -0.159 1
1 1346 . 3 1 1 A 108 108 LEU CB C 108 41.621 42.084 -0.463 1
1 1350 . 3 1 1 A 108 108 LEU N N 108 117.680 117.616 0.064 1
1 1351 . 3 1 1 A 109 109 TRP H H 109 7.427 7.493 -0.066 1
1 1352 . 3 1 1 A 109 109 TRP HA H 109 4.828 5.059 -0.231 1
1 1361 . 3 1 1 A 109 109 TRP C C 109 173.176 176.626 -3.450 1
1 1362 . 3 1 1 A 109 109 TRP CA C 109 56.353 58.617 -2.264 1
1 1363 . 3 1 1 A 109 109 TRP CB C 109 29.743 30.452 -0.709 1
1 1369 . 3 1 1 A 109 109 TRP N N 109 119.087 121.437 -2.350 1
1 1371 . 3 1 1 A 110 110 SER H H 110 8.199 8.872 -0.673 1
1 1372 . 3 1 1 A 110 110 SER HA H 110 4.688 4.654 0.034 1
1 1375 . 3 1 1 A 110 110 SER C C 110 171.769 174.041 -2.272 1
1 1376 . 3 1 1 A 110 110 SER CA C 110 56.324 58.211 -1.887 1
1 1377 . 3 1 1 A 110 110 SER CB C 110 64.513 64.111 0.402 1
1 1378 . 3 1 1 A 110 110 SER N N 110 115.602 118.523 -2.921 1
1 1379 . 3 1 1 A 111 111 THR H H 111 8.268 8.717 -0.449 1
1 1380 . 3 1 1 A 111 111 THR HA H 111 4.425 5.433 -1.008 1
1 1385 . 3 1 1 A 111 111 THR C C 111 171.526 173.789 -2.263 1
1 1386 . 3 1 1 A 111 111 THR CA C 111 60.861 60.395 0.466 1
1 1387 . 3 1 1 A 111 111 THR CB C 111 69.202 70.959 -1.757 1
1 1389 . 3 1 1 A 111 111 THR N N 111 114.394 113.186 1.208 1
1 1390 . 3 1 1 A 112 112 LYS H H 112 8.240 8.928 -0.688 1
1 1391 . 3 1 1 A 112 112 LYS HA H 112 4.530 4.969 -0.439 1
1 1400 . 3 1 1 A 112 112 LYS CA C 112 53.768 52.967 0.801 1
1 1401 . 3 1 1 A 112 112 LYS CB C 112 32.067 33.584 -1.517 1
1 1405 . 3 1 1 A 112 112 LYS N N 112 125.207 125.712 -0.505 1
1 1406 . 3 1 1 A 113 113 PRO HA H 113 4.380 4.453 -0.073 1
1 1413 . 3 1 1 A 113 113 PRO C C 113 174.095 177.053 -2.958 1
1 1414 . 3 1 1 A 113 113 PRO CA C 113 62.381 63.258 -0.877 1
1 1415 . 3 1 1 A 113 113 PRO CB C 113 31.408 32.273 -0.865 1
1 1418 . 3 1 1 A 114 114 VAL H H 114 8.195 8.701 -0.506 1
1 1419 . 3 1 1 A 114 114 VAL HA H 114 4.029 3.890 0.139 1
1 1427 . 3 1 1 A 114 114 VAL C C 114 173.122 175.803 -2.681 1
1 1428 . 3 1 1 A 114 114 VAL CA C 114 61.335 63.269 -1.934 1
1 1429 . 3 1 1 A 114 114 VAL CB C 114 32.153 29.644 2.509 1
1 1432 . 3 1 1 A 114 114 VAL N N 114 120.113 121.902 -1.789 1
1 1433 . 3 1 1 A 115 115 ASP H H 115 8.345 7.955 0.390 1
1 1434 . 3 1 1 A 115 115 ASP HA H 115 4.592 4.402 0.190 1
1 1437 . 3 1 1 A 115 115 ASP C C 115 172.608 176.135 -3.527 1
1 1438 . 3 1 1 A 115 115 ASP CA C 115 53.202 56.598 -3.396 1
1 1439 . 3 1 1 A 115 115 ASP CB C 115 40.552 41.690 -1.138 1
1 1440 . 3 1 1 A 115 115 ASP N N 115 123.853 122.869 0.984 1
1 1 . 4 1 1 A 2 2 TYR HA H 2 4.617 5.060 -0.443 1
1 7 . 4 1 1 A 2 2 TYR C C 2 172.716 174.955 -2.239 1
1 8 . 4 1 1 A 2 2 TYR CA C 2 56.943 56.952 -0.009 1
1 9 . 4 1 1 A 2 2 TYR CB C 2 38.050 42.935 -4.885 1
1 14 . 4 1 1 A 2 2 TYR N N 2 121.461 114.191 7.270 1
1 15 . 4 1 1 A 3 3 THR H H 3 7.984 9.041 -1.057 1
1 16 . 4 1 1 A 3 3 THR HA H 3 4.684 4.747 -0.063 1
1 21 . 4 1 1 A 3 3 THR C C 3 170.931 173.933 -3.002 1
1 22 . 4 1 1 A 3 3 THR CA C 3 60.870 61.018 -0.148 1
1 23 . 4 1 1 A 3 3 THR CB C 3 69.270 69.428 -0.158 1
1 25 . 4 1 1 A 3 3 THR N N 3 117.624 117.242 0.382 1
1 26 . 4 1 1 A 4 4 GLU H H 4 8.290 7.992 0.298 1
1 27 . 4 1 1 A 4 4 GLU HA H 4 4.183 4.362 -0.179 1
1 32 . 4 1 1 A 4 4 GLU C C 4 173.013 176.484 -3.471 1
1 33 . 4 1 1 A 4 4 GLU CA C 4 55.876 55.999 -0.123 1
1 34 . 4 1 1 A 4 4 GLU CB C 4 29.779 30.468 -0.689 1
1 36 . 4 1 1 A 4 4 GLU N N 4 123.377 123.462 -0.085 1
1 37 . 4 1 1 A 5 5 GLN H H 5 8.329 8.460 -0.131 1
1 38 . 4 1 1 A 5 5 GLN HA H 5 4.392 4.469 -0.077 1
1 43 . 4 1 1 A 5 5 GLN CA C 5 52.634 54.488 -1.854 1
1 44 . 4 1 1 A 5 5 GLN CB C 5 28.759 27.846 0.913 1
1 46 . 4 1 1 A 5 5 GLN N N 5 122.599 122.210 0.389 1
1 47 . 4 1 1 A 6 6 PRO HA H 6 4.323 4.995 -0.672 1
1 54 . 4 1 1 A 6 6 PRO C C 6 173.636 176.432 -2.796 1
1 55 . 4 1 1 A 6 6 PRO CA C 6 62.080 62.604 -0.524 1
1 56 . 4 1 1 A 6 6 PRO CB C 6 30.785 32.380 -1.595 1
1 59 . 4 1 1 A 7 7 ILE H H 7 8.160 8.645 -0.485 1
1 60 . 4 1 1 A 7 7 ILE HA H 7 3.871 4.057 -0.186 1
1 70 . 4 1 1 A 7 7 ILE C C 7 172.770 176.335 -3.565 1
1 71 . 4 1 1 A 7 7 ILE CA C 7 60.589 60.839 -0.250 1
1 72 . 4 1 1 A 7 7 ILE CB C 7 38.318 36.174 2.144 1
1 76 . 4 1 1 A 7 7 ILE N N 7 121.913 122.062 -0.149 1
1 77 . 4 1 1 A 8 8 ASP H H 8 8.126 8.552 -0.426 1
1 78 . 4 1 1 A 8 8 ASP HA H 8 4.584 4.210 0.374 1
1 81 . 4 1 1 A 8 8 ASP C C 8 171.742 175.694 -3.952 1
1 82 . 4 1 1 A 8 8 ASP CA C 8 53.265 55.299 -2.034 1
1 83 . 4 1 1 A 8 8 ASP CB C 8 39.521 39.681 -0.160 1
1 84 . 4 1 1 A 8 8 ASP N N 8 124.858 123.057 1.801 1
1 85 . 4 1 1 A 9 9 LEU H H 9 7.374 7.940 -0.566 1
1 86 . 4 1 1 A 9 9 LEU HA H 9 4.506 4.523 -0.017 1
1 96 . 4 1 1 A 9 9 LEU C C 9 174.041 175.737 -1.696 1
1 97 . 4 1 1 A 9 9 LEU CA C 9 53.779 54.624 -0.845 1
1 98 . 4 1 1 A 9 9 LEU CB C 9 43.411 43.098 0.313 1
1 102 . 4 1 1 A 9 9 LEU N N 9 122.151 120.608 1.543 1
1 103 . 4 1 1 A 10 10 VAL H H 10 8.827 8.674 0.153 1
1 104 . 4 1 1 A 10 10 VAL HA H 10 4.841 5.099 -0.258 1
1 112 . 4 1 1 A 10 10 VAL CA C 10 57.706 58.022 -0.316 1
1 113 . 4 1 1 A 10 10 VAL CB C 10 33.895 34.579 -0.684 1
1 116 . 4 1 1 A 10 10 VAL N N 10 120.738 120.011 0.727 1
1 117 . 4 1 1 A 11 11 PRO HA H 11 4.766 5.025 -0.259 1
1 124 . 4 1 1 A 11 11 PRO C C 11 173.149 175.111 -1.962 1
1 125 . 4 1 1 A 11 11 PRO CA C 11 62.417 62.675 -0.258 1
1 126 . 4 1 1 A 11 11 PRO CB C 11 32.119 33.351 -1.232 1
1 129 . 4 1 1 A 12 12 THR H H 12 7.408 8.380 -0.972 1
1 130 . 4 1 1 A 12 12 THR HA H 12 4.280 4.915 -0.635 1
1 135 . 4 1 1 A 12 12 THR C C 12 166.981 172.657 -5.676 1
1 136 . 4 1 1 A 12 12 THR CA C 12 59.142 59.853 -0.711 1
1 137 . 4 1 1 A 12 12 THR CB C 12 68.812 70.476 -1.664 1
1 139 . 4 1 1 A 12 12 THR N N 12 115.177 115.822 -0.645 1
1 140 . 4 1 1 A 13 13 GLN H H 13 7.953 8.734 -0.781 1
1 141 . 4 1 1 A 13 13 GLN HA H 13 5.073 5.060 0.013 1
1 146 . 4 1 1 A 13 13 GLN CA C 13 52.836 53.061 -0.225 1
1 147 . 4 1 1 A 13 13 GLN CB C 13 28.566 31.977 -3.411 1
1 149 . 4 1 1 A 13 13 GLN N N 13 113.324 120.104 -6.780 1
1 150 . 4 1 1 A 14 14 PRO HA H 14 4.340 4.550 -0.210 1
1 157 . 4 1 1 A 14 14 PRO C C 14 173.392 176.835 -3.443 1
1 158 . 4 1 1 A 14 14 PRO CA C 14 62.498 62.696 -0.198 1
1 159 . 4 1 1 A 14 14 PRO CB C 14 31.565 32.061 -0.496 1
1 162 . 4 1 1 A 15 15 LEU H H 15 8.764 8.351 0.413 1
1 163 . 4 1 1 A 15 15 LEU HA H 15 4.511 4.470 0.041 1
1 173 . 4 1 1 A 15 15 LEU CA C 15 52.597 53.566 -0.969 1
1 174 . 4 1 1 A 15 15 LEU CB C 15 40.769 41.080 -0.311 1
1 178 . 4 1 1 A 15 15 LEU N N 15 124.665 124.120 0.545 1
1 179 . 4 1 1 A 16 16 PRO HA H 16 4.325 4.333 -0.008 1
1 186 . 4 1 1 A 16 16 PRO CA C 16 63.358 63.653 -0.295 1
1 187 . 4 1 1 A 16 16 PRO CB C 16 31.187 32.100 -0.913 1
1 190 . 4 1 1 A 17 17 ASN H H 17 8.682 9.001 -0.319 1
1 191 . 4 1 1 A 17 17 ASN HA H 17 4.586 4.390 0.196 1
1 196 . 4 1 1 A 17 17 ASN C C 17 174.691 174.562 0.129 1
1 197 . 4 1 1 A 17 17 ASN CA C 17 52.745 55.181 -2.436 1
1 198 . 4 1 1 A 17 17 ASN CB C 17 36.762 36.481 0.281 1
1 199 . 4 1 1 A 17 17 ASN N N 17 114.315 114.271 0.044 1
1 201 . 4 1 1 A 18 18 ALA H H 18 7.283 8.020 -0.737 1
1 202 . 4 1 1 A 18 18 ALA HA H 18 4.569 4.347 0.222 1
1 206 . 4 1 1 A 18 18 ALA C C 18 174.041 176.917 -2.876 1
1 207 . 4 1 1 A 18 18 ALA CA C 18 51.618 53.418 -1.800 1
1 208 . 4 1 1 A 18 18 ALA CB C 18 20.698 19.587 1.111 1
1 209 . 4 1 1 A 18 18 ALA N N 18 121.620 123.570 -1.950 1
1 210 . 4 1 1 A 19 19 SER H H 19 8.744 9.120 -0.376 1
1 211 . 4 1 1 A 19 19 SER HA H 19 4.479 4.668 -0.189 1
1 214 . 4 1 1 A 19 19 SER C C 19 169.984 172.195 -2.211 1
1 215 . 4 1 1 A 19 19 SER CA C 19 56.634 56.983 -0.349 1
1 216 . 4 1 1 A 19 19 SER CB C 19 65.044 66.099 -1.055 1
1 217 . 4 1 1 A 19 19 SER N N 19 113.995 116.513 -2.518 1
1 218 . 4 1 1 A 20 20 PHE H H 20 7.753 8.171 -0.418 1
1 219 . 4 1 1 A 20 20 PHE HA H 20 3.514 4.240 -0.726 1
1 226 . 4 1 1 A 20 20 PHE C C 20 172.635 173.903 -1.268 1
1 227 . 4 1 1 A 20 20 PHE CA C 20 58.070 58.880 -0.810 1
1 228 . 4 1 1 A 20 20 PHE CB C 20 37.588 39.392 -1.804 1
1 233 . 4 1 1 A 20 20 PHE N N 20 124.690 123.537 1.153 1
1 234 . 4 1 1 A 21 21 ASP H H 21 8.288 7.456 0.832 1
1 235 . 4 1 1 A 21 21 ASP HA H 21 4.351 4.631 -0.280 1
1 238 . 4 1 1 A 21 21 ASP CA C 21 51.826 51.552 0.274 1
1 239 . 4 1 1 A 21 21 ASP CB C 21 38.598 43.426 -4.828 1
1 240 . 4 1 1 A 21 21 ASP N N 21 127.080 126.563 0.517 1
1 241 . 4 1 1 A 22 22 ASN HA H 22 3.766 4.643 -0.877 1
1 246 . 4 1 1 A 22 22 ASN C C 22 171.688 174.946 -3.258 1
1 247 . 4 1 1 A 22 22 ASN CA C 22 54.954 53.310 1.644 1
1 248 . 4 1 1 A 22 22 ASN CB C 22 37.641 39.079 -1.438 1
1 250 . 4 1 1 A 23 23 PHE H H 23 5.484 7.083 -1.599 1
1 251 . 4 1 1 A 23 23 PHE HA H 23 4.804 4.383 0.421 1
1 259 . 4 1 1 A 23 23 PHE C C 23 169.768 174.911 -5.143 1
1 260 . 4 1 1 A 23 23 PHE CA C 23 54.649 57.665 -3.016 1
1 261 . 4 1 1 A 23 23 PHE CB C 23 39.850 39.323 0.527 1
1 267 . 4 1 1 A 23 23 PHE N N 23 112.858 118.612 -5.754 1
1 268 . 4 1 1 A 24 24 LYS H H 24 8.329 8.859 -0.530 1
1 269 . 4 1 1 A 24 24 LYS HA H 24 3.719 4.417 -0.698 1
1 278 . 4 1 1 A 24 24 LYS C C 24 171.959 175.987 -4.028 1
1 279 . 4 1 1 A 24 24 LYS CA C 24 53.756 54.787 -1.031 1
1 280 . 4 1 1 A 24 24 LYS CB C 24 36.279 33.550 2.729 1
1 284 . 4 1 1 A 24 24 LYS N N 24 119.724 123.082 -3.358 1
1 285 . 4 1 1 A 25 25 LEU H H 25 9.144 8.394 0.750 1
1 286 . 4 1 1 A 25 25 LEU HA H 25 5.462 5.392 0.070 1
1 296 . 4 1 1 A 25 25 LEU C C 25 174.609 175.619 -1.010 1
1 297 . 4 1 1 A 25 25 LEU CA C 25 53.208 52.841 0.367 1
1 298 . 4 1 1 A 25 25 LEU CB C 25 41.419 45.307 -3.888 1
1 302 . 4 1 1 A 25 25 LEU N N 25 126.849 121.030 5.819 1
1 303 . 4 1 1 A 26 26 THR H H 26 8.956 8.980 -0.024 1
1 304 . 4 1 1 A 26 26 THR HA H 26 4.471 5.220 -0.749 1
1 309 . 4 1 1 A 26 26 THR C C 26 169.524 172.982 -3.458 1
1 310 . 4 1 1 A 26 26 THR CA C 26 58.769 59.968 -1.199 1
1 311 . 4 1 1 A 26 26 THR CB C 26 69.971 72.009 -2.038 1
1 313 . 4 1 1 A 26 26 THR N N 26 113.907 111.300 2.607 1
1 314 . 4 1 1 A 27 27 CYS H H 27 8.507 8.684 -0.177 1
1 315 . 4 1 1 A 27 27 CYS HA H 27 4.509 4.726 -0.217 1
1 318 . 4 1 1 A 27 27 CYS C C 27 169.984 174.671 -4.687 1
1 319 . 4 1 1 A 27 27 CYS CA C 27 57.948 57.548 0.400 1
1 320 . 4 1 1 A 27 27 CYS CB C 27 29.529 30.709 -1.180 1
1 321 . 4 1 1 A 27 27 CYS N N 27 120.842 118.875 1.967 1
1 322 . 4 1 1 A 28 28 SER H H 28 9.044 8.645 0.399 1
1 323 . 4 1 1 A 28 28 SER HA H 28 4.140 4.257 -0.117 1
1 326 . 4 1 1 A 28 28 SER C C 28 172.716 174.510 -1.794 1
1 327 . 4 1 1 A 28 28 SER CA C 28 60.986 61.667 -0.681 1
1 328 . 4 1 1 A 28 28 SER CB C 28 61.437 62.484 -1.047 1
1 329 . 4 1 1 A 28 28 SER N N 28 124.898 118.166 6.732 1
1 330 . 4 1 1 A 29 29 ASN H H 29 7.825 8.024 -0.199 1
1 331 . 4 1 1 A 29 29 ASN HA H 29 4.951 4.832 0.119 1
1 336 . 4 1 1 A 29 29 ASN C C 29 171.688 175.901 -4.213 1
1 337 . 4 1 1 A 29 29 ASN CA C 29 52.155 53.023 -0.868 1
1 338 . 4 1 1 A 29 29 ASN CB C 29 36.980 39.390 -2.410 1
1 339 . 4 1 1 A 29 29 ASN N N 29 121.001 118.995 2.006 1
1 341 . 4 1 1 A 30 30 THR H H 30 8.062 8.805 -0.743 1
1 342 . 4 1 1 A 30 30 THR HA H 30 3.901 4.013 -0.112 1
1 347 . 4 1 1 A 30 30 THR C C 30 173.338 176.449 -3.111 1
1 348 . 4 1 1 A 30 30 THR CA C 30 64.874 66.450 -1.576 1
1 349 . 4 1 1 A 30 30 THR CB C 30 67.715 68.605 -0.890 1
1 351 . 4 1 1 A 30 30 THR N N 30 119.799 119.301 0.498 1
1 352 . 4 1 1 A 31 31 LYS H H 31 8.015 8.200 -0.185 1
1 353 . 4 1 1 A 31 31 LYS HA H 31 4.119 3.984 0.135 1
1 362 . 4 1 1 A 31 31 LYS C C 31 174.231 178.618 -4.387 1
1 363 . 4 1 1 A 31 31 LYS CA C 31 58.286 59.736 -1.450 1
1 364 . 4 1 1 A 31 31 LYS CB C 31 31.547 32.342 -0.795 1
1 368 . 4 1 1 A 31 31 LYS N N 31 122.845 122.326 0.519 1
1 369 . 4 1 1 A 32 32 PHE H H 32 7.739 8.292 -0.553 1
1 370 . 4 1 1 A 32 32 PHE HA H 32 4.652 4.248 0.404 1
1 378 . 4 1 1 A 32 32 PHE C C 32 174.691 177.072 -2.381 1
1 379 . 4 1 1 A 32 32 PHE CA C 32 59.954 61.912 -1.958 1
1 380 . 4 1 1 A 32 32 PHE CB C 32 38.444 39.486 -1.042 1
1 386 . 4 1 1 A 32 32 PHE N N 32 120.100 121.100 -1.000 1
1 387 . 4 1 1 A 33 33 ALA H H 33 6.955 8.084 -1.129 1
1 388 . 4 1 1 A 33 33 ALA HA H 33 3.555 4.133 -0.578 1
1 392 . 4 1 1 A 33 33 ALA C C 33 175.502 179.125 -3.623 1
1 393 . 4 1 1 A 33 33 ALA CA C 33 54.703 55.310 -0.607 1
1 394 . 4 1 1 A 33 33 ALA CB C 33 17.085 18.191 -1.106 1
1 395 . 4 1 1 A 33 33 ALA N N 33 116.140 120.997 -4.857 1
1 396 . 4 1 1 A 34 34 ASP H H 34 8.795 8.328 0.467 1
1 397 . 4 1 1 A 34 34 ASP HA H 34 4.367 4.523 -0.156 1
1 400 . 4 1 1 A 34 34 ASP C C 34 176.854 178.182 -1.328 1
1 401 . 4 1 1 A 34 34 ASP CA C 34 56.911 56.910 0.001 1
1 402 . 4 1 1 A 34 34 ASP CB C 34 39.495 40.787 -1.292 1
1 403 . 4 1 1 A 34 34 ASP N N 34 118.170 118.500 -0.330 1
1 404 . 4 1 1 A 35 35 ASP H H 35 8.791 8.564 0.227 1
1 405 . 4 1 1 A 35 35 ASP HA H 35 4.360 4.498 -0.138 1
1 408 . 4 1 1 A 35 35 ASP C C 35 177.233 179.068 -1.835 1
1 409 . 4 1 1 A 35 35 ASP CA C 35 56.890 57.483 -0.593 1
1 410 . 4 1 1 A 35 35 ASP CB C 35 39.291 40.657 -1.366 1
1 411 . 4 1 1 A 35 35 ASP N N 35 121.921 119.451 2.470 1
1 412 . 4 1 1 A 36 36 LEU H H 36 7.792 7.982 -0.190 1
1 413 . 4 1 1 A 36 36 LEU HA H 36 4.162 3.914 0.248 1
1 423 . 4 1 1 A 36 36 LEU C C 36 176.097 179.455 -3.358 1
1 424 . 4 1 1 A 36 36 LEU CA C 36 57.508 58.026 -0.518 1
1 425 . 4 1 1 A 36 36 LEU CB C 36 41.523 41.423 0.100 1
1 429 . 4 1 1 A 36 36 LEU N N 36 121.822 121.013 0.809 1
1 430 . 4 1 1 A 37 37 ASN H H 37 9.015 8.739 0.276 1
1 431 . 4 1 1 A 37 37 ASN HA H 37 4.733 4.548 0.185 1
1 436 . 4 1 1 A 37 37 ASN C C 37 176.232 178.569 -2.337 1
1 437 . 4 1 1 A 37 37 ASN CA C 37 54.288 56.541 -2.253 1
1 438 . 4 1 1 A 37 37 ASN CB C 37 37.337 38.118 -0.781 1
1 439 . 4 1 1 A 37 37 ASN N N 37 116.904 117.681 -0.777 1
1 441 . 4 1 1 A 38 38 GLN H H 38 8.218 8.010 0.208 1
1 442 . 4 1 1 A 38 38 GLN HA H 38 4.074 4.143 -0.069 1
1 447 . 4 1 1 A 38 38 GLN C C 38 175.773 178.882 -3.109 1
1 448 . 4 1 1 A 38 38 GLN CA C 38 58.134 58.892 -0.758 1
1 449 . 4 1 1 A 38 38 GLN CB C 38 27.676 28.094 -0.418 1
1 451 . 4 1 1 A 38 38 GLN N N 38 121.443 120.151 1.292 1
1 452 . 4 1 1 A 39 39 MET H H 39 7.487 8.176 -0.689 1
1 453 . 4 1 1 A 39 39 MET HA H 39 3.967 4.298 -0.331 1
1 461 . 4 1 1 A 39 39 MET C C 39 176.259 177.992 -1.733 1
1 462 . 4 1 1 A 39 39 MET CA C 39 58.374 57.970 0.404 1
1 463 . 4 1 1 A 39 39 MET CB C 39 33.000 34.209 -1.209 1
1 466 . 4 1 1 A 39 39 MET N N 39 118.793 119.236 -0.443 1
1 467 . 4 1 1 A 40 40 THR H H 40 7.873 7.356 0.517 1
1 468 . 4 1 1 A 40 40 THR HA H 40 3.769 4.251 -0.482 1
1 473 . 4 1 1 A 40 40 THR C C 40 173.906 174.555 -0.649 1
1 474 . 4 1 1 A 40 40 THR CA C 40 61.739 62.527 -0.788 1
1 475 . 4 1 1 A 40 40 THR CB C 40 68.427 69.176 -0.749 1
1 477 . 4 1 1 A 40 40 THR N N 40 108.945 112.002 -3.057 1
1 478 . 4 1 1 A 41 41 GLY H H 41 7.199 7.474 -0.275 1
1 479 . 4 1 1 A 41 41 GLY HA2 H 41 3.899 3.855 0.044 1
1 480 . 4 1 1 A 41 41 GLY HA3 H 41 3.662 3.888 -0.226 1
1 481 . 4 1 1 A 41 41 GLY C C 41 171.661 174.709 -3.048 1
1 482 . 4 1 1 A 41 41 GLY CA C 41 44.926 46.273 -1.347 1
1 483 . 4 1 1 A 41 41 GLY N N 41 106.430 110.708 -4.278 1
1 484 . 4 1 1 A 42 42 PHE H H 42 7.876 8.215 -0.339 1
1 485 . 4 1 1 A 42 42 PHE HA H 42 4.682 4.708 -0.026 1
1 493 . 4 1 1 A 42 42 PHE C C 42 171.499 174.761 -3.262 1
1 494 . 4 1 1 A 42 42 PHE CA C 42 57.793 59.102 -1.309 1
1 495 . 4 1 1 A 42 42 PHE CB C 42 39.422 39.750 -0.328 1
1 501 . 4 1 1 A 42 42 PHE N N 42 122.221 120.753 1.468 1
1 502 . 4 1 1 A 43 43 THR H H 43 8.418 8.370 0.048 1
1 503 . 4 1 1 A 43 43 THR HA H 43 3.665 4.082 -0.417 1
1 508 . 4 1 1 A 43 43 THR C C 43 168.767 172.708 -3.941 1
1 509 . 4 1 1 A 43 43 THR CA C 43 59.002 60.351 -1.349 1
1 510 . 4 1 1 A 43 43 THR CB C 43 70.919 72.447 -1.528 1
1 512 . 4 1 1 A 43 43 THR N N 43 123.470 122.830 0.640 1
1 513 . 4 1 1 A 44 44 LYS H H 44 7.999 8.090 -0.091 1
1 514 . 4 1 1 A 44 44 LYS HA H 44 3.924 4.710 -0.786 1
1 523 . 4 1 1 A 44 44 LYS CA C 44 54.785 54.289 0.496 1
1 524 . 4 1 1 A 44 44 LYS CB C 44 31.047 31.645 -0.598 1
1 528 . 4 1 1 A 44 44 LYS N N 44 124.728 124.010 0.718 1
1 529 . 4 1 1 A 45 45 PRO HA H 45 4.581 4.640 -0.059 1
1 536 . 4 1 1 A 45 45 PRO C C 45 172.770 176.902 -4.132 1
1 537 . 4 1 1 A 45 45 PRO CA C 45 60.970 62.667 -1.697 1
1 538 . 4 1 1 A 45 45 PRO CB C 45 33.754 32.475 1.279 1
1 541 . 4 1 1 A 46 46 ALA H H 46 8.715 8.417 0.298 1
1 542 . 4 1 1 A 46 46 ALA HA H 46 4.674 4.884 -0.210 1
1 546 . 4 1 1 A 46 46 ALA C C 46 175.827 178.006 -2.179 1
1 547 . 4 1 1 A 46 46 ALA CA C 46 50.851 51.966 -1.115 1
1 548 . 4 1 1 A 46 46 ALA CB C 46 20.458 19.517 0.941 1
1 549 . 4 1 1 A 46 46 ALA N N 46 123.249 125.063 -1.814 1
1 550 . 4 1 1 A 47 47 SER H H 47 8.518 9.185 -0.667 1
1 551 . 4 1 1 A 47 47 SER HA H 47 4.202 4.321 -0.119 1
1 554 . 4 1 1 A 47 47 SER C C 47 171.769 174.349 -2.580 1
1 555 . 4 1 1 A 47 47 SER CA C 47 58.740 61.228 -2.488 1
1 556 . 4 1 1 A 47 47 SER CB C 47 62.419 63.414 -0.995 1
1 557 . 4 1 1 A 47 47 SER N N 47 117.696 115.504 2.192 1
1 558 . 4 1 1 A 48 48 ARG H H 48 7.276 7.686 -0.410 1
1 559 . 4 1 1 A 48 48 ARG HA H 48 4.466 4.723 -0.257 1
1 566 . 4 1 1 A 48 48 ARG C C 48 170.417 173.577 -3.160 1
1 567 . 4 1 1 A 48 48 ARG CA C 48 54.164 54.567 -0.403 1
1 568 . 4 1 1 A 48 48 ARG CB C 48 29.775 32.949 -3.174 1
1 571 . 4 1 1 A 48 48 ARG N N 48 115.830 116.184 -0.354 1
1 572 . 4 1 1 A 49 49 GLU H H 49 8.681 8.553 0.128 1
1 573 . 4 1 1 A 49 49 GLU HA H 49 5.373 5.090 0.283 1
1 578 . 4 1 1 A 49 49 GLU C C 49 172.716 175.911 -3.195 1
1 579 . 4 1 1 A 49 49 GLU CA C 49 53.744 55.215 -1.471 1
1 580 . 4 1 1 A 49 49 GLU CB C 49 32.057 30.999 1.058 1
1 582 . 4 1 1 A 49 49 GLU N N 49 119.800 119.426 0.374 1
1 583 . 4 1 1 A 50 50 LEU H H 50 8.720 8.948 -0.228 1
1 584 . 4 1 1 A 50 50 LEU HA H 50 4.821 4.352 0.469 1
1 594 . 4 1 1 A 50 50 LEU C C 50 171.932 175.686 -3.754 1
1 595 . 4 1 1 A 50 50 LEU CA C 50 52.447 54.909 -2.462 1
1 596 . 4 1 1 A 50 50 LEU CB C 50 44.748 42.475 2.273 1
1 600 . 4 1 1 A 50 50 LEU N N 50 124.747 126.645 -1.898 1
1 601 . 4 1 1 A 51 51 SER H H 51 9.560 8.426 1.134 1
1 602 . 4 1 1 A 51 51 SER HA H 51 4.881 5.073 -0.192 1
1 605 . 4 1 1 A 51 51 SER C C 51 171.769 172.688 -0.919 1
1 606 . 4 1 1 A 51 51 SER CA C 51 55.707 57.432 -1.725 1
1 607 . 4 1 1 A 51 51 SER CB C 51 64.701 65.899 -1.198 1
1 608 . 4 1 1 A 51 51 SER N N 51 119.156 116.360 2.796 1
1 609 . 4 1 1 A 52 52 VAL H H 52 8.416 8.897 -0.481 1
1 610 . 4 1 1 A 52 52 VAL HA H 52 5.196 4.682 0.514 1
1 618 . 4 1 1 A 52 52 VAL CA C 52 59.207 61.236 -2.029 1
1 619 . 4 1 1 A 52 52 VAL CB C 52 33.156 32.582 0.574 1
1 622 . 4 1 1 A 52 52 VAL N N 52 121.797 126.928 -5.131 1
1 623 . 4 1 1 A 53 53 THR H H 53 8.383 8.526 -0.143 1
1 624 . 4 1 1 A 53 53 THR HA H 53 4.358 4.774 -0.416 1
1 629 . 4 1 1 A 53 53 THR C C 53 169.741 172.815 -3.074 1
1 630 . 4 1 1 A 53 53 THR CA C 53 58.375 59.388 -1.013 1
1 631 . 4 1 1 A 53 53 THR CB C 53 70.707 72.092 -1.385 1
1 633 . 4 1 1 A 53 53 THR N N 53 117.287 113.987 3.300 1
1 634 . 4 1 1 A 54 54 PHE H H 54 8.737 8.825 -0.088 1
1 635 . 4 1 1 A 54 54 PHE HA H 54 4.536 4.715 -0.179 1
1 643 . 4 1 1 A 54 54 PHE C C 54 172.986 174.940 -1.954 1
1 644 . 4 1 1 A 54 54 PHE CA C 54 57.064 55.847 1.217 1
1 645 . 4 1 1 A 54 54 PHE CB C 54 38.755 40.289 -1.534 1
1 651 . 4 1 1 A 54 54 PHE N N 54 118.180 119.430 -1.250 1
1 652 . 4 1 1 A 55 55 PHE H H 55 9.167 9.142 0.025 1
1 653 . 4 1 1 A 55 55 PHE HA H 55 3.715 4.468 -0.753 1
1 660 . 4 1 1 A 55 55 PHE CA C 55 57.908 56.921 0.987 1
1 661 . 4 1 1 A 55 55 PHE CB C 55 39.594 38.686 0.908 1
1 666 . 4 1 1 A 55 55 PHE N N 55 128.290 124.009 4.281 1
1 667 . 4 1 1 A 56 56 PRO HA H 56 2.356 4.207 -1.851 1
1 674 . 4 1 1 A 56 56 PRO C C 56 171.012 175.087 -4.075 1
1 675 . 4 1 1 A 56 56 PRO CA C 56 62.611 62.203 0.408 1
1 676 . 4 1 1 A 56 56 PRO CB C 56 32.522 31.514 1.008 1
1 679 . 4 1 1 A 57 57 ASP H H 57 9.009 8.501 0.508 1
1 680 . 4 1 1 A 57 57 ASP HA H 57 4.289 4.927 -0.638 1
1 683 . 4 1 1 A 57 57 ASP C C 57 173.257 173.702 -0.445 1
1 684 . 4 1 1 A 57 57 ASP CA C 57 53.752 54.069 -0.317 1
1 685 . 4 1 1 A 57 57 ASP CB C 57 40.067 43.741 -3.674 1
1 686 . 4 1 1 A 57 57 ASP N N 57 127.876 121.909 5.967 1
1 687 . 4 1 1 A 58 58 LEU H H 58 8.368 8.630 -0.262 1
1 688 . 4 1 1 A 58 58 LEU HA H 58 4.229 4.729 -0.500 1
1 698 . 4 1 1 A 58 58 LEU C C 58 174.285 176.681 -2.396 1
1 699 . 4 1 1 A 58 58 LEU CA C 58 52.468 53.227 -0.759 1
1 700 . 4 1 1 A 58 58 LEU CB C 58 40.258 41.752 -1.494 1
1 704 . 4 1 1 A 58 58 LEU N N 58 128.010 122.293 5.717 1
1 705 . 4 1 1 A 59 59 ASN H H 59 8.430 8.022 0.408 1
1 706 . 4 1 1 A 59 59 ASN HA H 59 4.198 4.877 -0.679 1
1 711 . 4 1 1 A 59 59 ASN C C 59 173.636 175.872 -2.236 1
1 712 . 4 1 1 A 59 59 ASN CA C 59 54.945 52.703 2.242 1
1 713 . 4 1 1 A 59 59 ASN CB C 59 38.175 39.898 -1.723 1
1 714 . 4 1 1 A 59 59 ASN N N 59 116.745 118.649 -1.904 1
1 716 . 4 1 1 A 60 60 GLY H H 60 8.083 7.991 0.092 1
1 717 . 4 1 1 A 60 60 GLY HA2 H 60 3.766 3.988 -0.222 1
1 718 . 4 1 1 A 60 60 GLY HA3 H 60 3.326 4.013 -0.687 1
1 719 . 4 1 1 A 60 60 GLY C C 60 169.876 174.639 -4.763 1
1 720 . 4 1 1 A 60 60 GLY CA C 60 44.285 44.420 -0.135 1
1 721 . 4 1 1 A 60 60 GLY N N 60 110.045 107.259 2.786 1
1 722 . 4 1 1 A 61 61 ASP H H 61 8.084 8.873 -0.789 1
1 723 . 4 1 1 A 61 61 ASP HA H 61 4.200 4.670 -0.470 1
1 726 . 4 1 1 A 61 61 ASP C C 61 172.283 175.588 -3.305 1
1 727 . 4 1 1 A 61 61 ASP CA C 61 56.865 54.541 2.324 1
1 728 . 4 1 1 A 61 61 ASP CB C 61 42.113 42.345 -0.232 1
1 729 . 4 1 1 A 61 61 ASP N N 61 121.395 120.173 1.222 1
1 730 . 4 1 1 A 62 62 VAL H H 62 8.387 7.834 0.553 1
1 731 . 4 1 1 A 62 62 VAL HA H 62 4.096 4.729 -0.633 1
1 739 . 4 1 1 A 62 62 VAL C C 62 171.255 174.313 -3.058 1
1 740 . 4 1 1 A 62 62 VAL CA C 62 58.914 60.171 -1.257 1
1 741 . 4 1 1 A 62 62 VAL CB C 62 34.433 36.664 -2.231 1
1 744 . 4 1 1 A 62 62 VAL N N 62 117.701 117.110 0.591 1
1 745 . 4 1 1 A 63 63 VAL H H 63 8.251 8.252 -0.001 1
1 746 . 4 1 1 A 63 63 VAL HA H 63 4.637 4.895 -0.258 1
1 754 . 4 1 1 A 63 63 VAL C C 63 171.282 174.170 -2.888 1
1 755 . 4 1 1 A 63 63 VAL CA C 63 59.233 59.718 -0.485 1
1 756 . 4 1 1 A 63 63 VAL CB C 63 33.531 36.160 -2.629 1
1 759 . 4 1 1 A 63 63 VAL N N 63 125.341 124.900 0.441 1
1 760 . 4 1 1 A 64 64 ALA H H 64 9.316 8.352 0.964 1
1 761 . 4 1 1 A 64 64 ALA HA H 64 5.036 5.368 -0.332 1
1 765 . 4 1 1 A 64 64 ALA C C 64 173.825 175.318 -1.493 1
1 766 . 4 1 1 A 64 64 ALA CA C 64 49.059 50.264 -1.205 1
1 767 . 4 1 1 A 64 64 ALA CB C 64 20.323 23.749 -3.426 1
1 768 . 4 1 1 A 64 64 ALA N N 64 128.526 124.446 4.080 1
1 769 . 4 1 1 A 65 65 ILE H H 65 9.451 9.091 0.360 1
1 770 . 4 1 1 A 65 65 ILE HA H 65 4.475 4.602 -0.127 1
1 780 . 4 1 1 A 65 65 ILE C C 65 172.121 174.879 -2.758 1
1 781 . 4 1 1 A 65 65 ILE CA C 65 56.490 59.553 -3.063 1
1 782 . 4 1 1 A 65 65 ILE CB C 65 37.474 41.495 -4.021 1
1 786 . 4 1 1 A 65 65 ILE N N 65 126.677 119.154 7.523 1
1 787 . 4 1 1 A 66 66 ASP H H 66 9.165 8.877 0.288 1
1 788 . 4 1 1 A 66 66 ASP HA H 66 4.045 4.750 -0.705 1
1 791 . 4 1 1 A 66 66 ASP C C 66 174.663 176.708 -2.045 1
1 792 . 4 1 1 A 66 66 ASP CA C 66 54.199 54.354 -0.155 1
1 793 . 4 1 1 A 66 66 ASP CB C 66 42.211 41.219 0.992 1
1 794 . 4 1 1 A 66 66 ASP N N 66 128.723 124.465 4.258 1
1 795 . 4 1 1 A 67 67 TYR H H 67 8.919 9.383 -0.464 1
1 796 . 4 1 1 A 67 67 TYR HA H 67 4.344 4.305 0.039 1
1 801 . 4 1 1 A 67 67 TYR C C 67 173.257 177.430 -4.173 1
1 802 . 4 1 1 A 67 67 TYR CA C 67 59.614 61.733 -2.119 1
1 803 . 4 1 1 A 67 67 TYR CB C 67 39.338 39.040 0.298 1
1 806 . 4 1 1 A 67 67 TYR N N 67 127.739 121.521 6.218 1
1 807 . 4 1 1 A 68 68 ARG H H 68 9.459 8.732 0.727 1
1 808 . 4 1 1 A 68 68 ARG HA H 68 3.923 3.996 -0.073 1
1 815 . 4 1 1 A 68 68 ARG C C 68 174.150 177.779 -3.629 1
1 816 . 4 1 1 A 68 68 ARG CA C 68 57.691 59.562 -1.871 1
1 817 . 4 1 1 A 68 68 ARG CB C 68 27.945 30.135 -2.190 1
1 820 . 4 1 1 A 68 68 ARG N N 68 121.666 118.695 2.971 1
1 821 . 4 1 1 A 69 69 HIS H H 69 8.146 8.301 -0.155 1
1 822 . 4 1 1 A 69 69 HIS HA H 69 4.538 4.584 -0.046 1
1 826 . 4 1 1 A 69 69 HIS C C 69 171.391 175.356 -3.965 1
1 827 . 4 1 1 A 69 69 HIS CA C 69 55.405 56.823 -1.418 1
1 828 . 4 1 1 A 69 69 HIS CB C 69 29.458 29.777 -0.319 1
1 830 . 4 1 1 A 69 69 HIS N N 69 117.372 115.715 1.657 1
1 831 . 4 1 1 A 70 70 TYR H H 70 7.468 7.590 -0.122 1
1 832 . 4 1 1 A 70 70 TYR HA H 70 3.431 3.918 -0.487 1
1 839 . 4 1 1 A 70 70 TYR C C 70 171.904 174.650 -2.746 1
1 840 . 4 1 1 A 70 70 TYR CA C 70 60.020 55.552 4.468 1
1 841 . 4 1 1 A 70 70 TYR CB C 70 37.554 36.196 1.358 1
1 846 . 4 1 1 A 70 70 TYR N N 70 121.636 121.927 -0.291 1
1 847 . 4 1 1 A 71 71 SER H H 71 5.657 9.102 -3.445 1
1 848 . 4 1 1 A 71 71 SER HA H 71 3.958 4.413 -0.455 1
1 851 . 4 1 1 A 71 71 SER C C 71 170.390 175.346 -4.956 1
1 852 . 4 1 1 A 71 71 SER CA C 71 55.267 58.493 -3.226 1
1 853 . 4 1 1 A 71 71 SER CB C 71 64.410 63.886 0.524 1
1 854 . 4 1 1 A 71 71 SER N N 71 120.240 122.740 -2.500 1
1 855 . 4 1 1 A 72 72 ALA H H 72 8.461 8.762 -0.301 1
1 856 . 4 1 1 A 72 72 ALA HA H 72 3.757 4.170 -0.413 1
1 860 . 4 1 1 A 72 72 ALA CA C 72 54.250 53.077 1.173 1
1 861 . 4 1 1 A 72 72 ALA CB C 72 17.423 18.582 -1.159 1
1 862 . 4 1 1 A 72 72 ALA N N 72 123.497 128.664 -5.167 1
1 863 . 4 1 1 A 73 73 SER HA H 73 3.904 3.865 0.039 1
1 866 . 4 1 1 A 73 73 SER C C 73 172.500 175.736 -3.236 1
1 867 . 4 1 1 A 73 73 SER CA C 73 59.873 62.267 -2.394 1
1 868 . 4 1 1 A 73 73 SER CB C 73 61.769 62.426 -0.657 1
1 869 . 4 1 1 A 74 74 PHE H H 74 7.508 7.259 0.249 1
1 870 . 4 1 1 A 74 74 PHE HA H 74 5.163 4.705 0.458 1
1 877 . 4 1 1 A 74 74 PHE C C 74 173.987 176.476 -2.489 1
1 878 . 4 1 1 A 74 74 PHE CA C 74 53.320 58.700 -5.380 1
1 879 . 4 1 1 A 74 74 PHE CB C 74 37.854 38.453 -0.599 1
1 884 . 4 1 1 A 74 74 PHE N N 74 118.853 117.732 1.121 1
1 885 . 4 1 1 A 75 75 LYS H H 75 7.245 7.984 -0.739 1
1 886 . 4 1 1 A 75 75 LYS HA H 75 4.200 4.150 0.050 1
1 895 . 4 1 1 A 75 75 LYS C C 75 173.717 177.405 -3.688 1
1 896 . 4 1 1 A 75 75 LYS CA C 75 59.003 59.200 -0.197 1
1 897 . 4 1 1 A 75 75 LYS CB C 75 31.846 31.498 0.348 1
1 901 . 4 1 1 A 75 75 LYS N N 75 121.129 122.630 -1.501 1
1 902 . 4 1 1 A 76 76 LYS H H 76 7.841 7.884 -0.043 1
1 903 . 4 1 1 A 76 76 LYS HA H 76 3.738 2.842 0.896 1
1 912 . 4 1 1 A 76 76 LYS C C 76 170.200 175.504 -5.304 1
1 913 . 4 1 1 A 76 76 LYS CA C 76 55.114 54.261 0.853 1
1 914 . 4 1 1 A 76 76 LYS CB C 76 32.393 32.386 0.007 1
1 918 . 4 1 1 A 76 76 LYS N N 76 114.423 116.146 -1.723 1
1 919 . 4 1 1 A 77 77 GLY H H 77 7.239 7.426 -0.187 1
1 920 . 4 1 1 A 77 77 GLY HA2 H 77 3.737 4.123 -0.386 1
1 921 . 4 1 1 A 77 77 GLY HA3 H 77 4.771 4.128 0.643 1
1 922 . 4 1 1 A 77 77 GLY C C 77 170.795 172.445 -1.650 1
1 923 . 4 1 1 A 77 77 GLY CA C 77 43.770 44.134 -0.364 1
1 924 . 4 1 1 A 77 77 GLY N N 77 103.318 107.322 -4.004 1
1 925 . 4 1 1 A 78 78 ALA H H 78 6.868 8.265 -1.397 1
1 926 . 4 1 1 A 78 78 ALA HA H 78 4.982 5.188 -0.206 1
1 930 . 4 1 1 A 78 78 ALA C C 78 171.904 175.471 -3.567 1
1 931 . 4 1 1 A 78 78 ALA CA C 78 49.907 51.234 -1.327 1
1 932 . 4 1 1 A 78 78 ALA CB C 78 22.601 23.588 -0.987 1
1 933 . 4 1 1 A 78 78 ALA N N 78 117.057 120.821 -3.764 1
1 934 . 4 1 1 A 79 79 LYS H H 79 8.765 8.951 -0.186 1
1 935 . 4 1 1 A 79 79 LYS HA H 79 4.636 4.983 -0.347 1
1 944 . 4 1 1 A 79 79 LYS C C 79 171.039 174.164 -3.125 1
1 945 . 4 1 1 A 79 79 LYS CA C 79 54.485 54.057 0.428 1
1 946 . 4 1 1 A 79 79 LYS CB C 79 35.963 36.456 -0.493 1
1 950 . 4 1 1 A 79 79 LYS N N 79 117.018 115.690 1.328 1
1 951 . 4 1 1 A 80 80 LEU H H 80 8.782 8.709 0.073 1
1 952 . 4 1 1 A 80 80 LEU HA H 80 4.459 4.621 -0.162 1
1 962 . 4 1 1 A 80 80 LEU C C 80 173.095 177.567 -4.472 1
1 963 . 4 1 1 A 80 80 LEU CA C 80 52.743 52.462 0.281 1
1 964 . 4 1 1 A 80 80 LEU CB C 80 42.494 44.709 -2.215 1
1 968 . 4 1 1 A 80 80 LEU N N 80 122.496 121.788 0.708 1
1 969 . 4 1 1 A 81 81 LEU H H 81 8.636 8.638 -0.002 1
1 970 . 4 1 1 A 81 81 LEU HA H 81 3.578 4.009 -0.431 1
1 980 . 4 1 1 A 81 81 LEU CA C 81 57.316 58.750 -1.434 1
1 981 . 4 1 1 A 81 81 LEU CB C 81 39.032 42.140 -3.108 1
1 985 . 4 1 1 A 81 81 LEU N N 81 125.060 124.836 0.224 1
1 986 . 4 1 1 A 82 82 HIS H H 82 8.379 7.568 0.811 1
1 987 . 4 1 1 A 82 82 HIS HA H 82 4.551 4.810 -0.259 1
1 992 . 4 1 1 A 82 82 HIS C C 82 172.635 174.904 -2.269 1
1 993 . 4 1 1 A 82 82 HIS CA C 82 55.432 55.461 -0.029 1
1 994 . 4 1 1 A 82 82 HIS CB C 82 29.646 31.576 -1.930 1
1 997 . 4 1 1 A 82 82 HIS N N 82 114.387 111.890 2.497 1
1 998 . 4 1 1 A 83 83 LYS H H 83 8.023 7.321 0.702 1
1 999 . 4 1 1 A 83 83 LYS HA H 83 4.670 4.253 0.417 1
1 1008 . 4 1 1 A 83 83 LYS CA C 83 52.041 53.821 -1.780 1
1 1009 . 4 1 1 A 83 83 LYS CB C 83 32.741 31.371 1.370 1
1 1013 . 4 1 1 A 83 83 LYS N N 83 122.886 121.287 1.599 1
1 1014 . 4 1 1 A 84 84 PRO HA H 84 4.585 4.701 -0.116 1
1 1021 . 4 1 1 A 84 84 PRO C C 84 172.797 176.466 -3.669 1
1 1022 . 4 1 1 A 84 84 PRO CA C 84 62.050 62.465 -0.415 1
1 1023 . 4 1 1 A 84 84 PRO CB C 84 32.770 32.393 0.377 1
1 1026 . 4 1 1 A 85 85 ILE H H 85 6.185 7.723 -1.538 1
1 1027 . 4 1 1 A 85 85 ILE HA H 85 5.743 5.312 0.431 1
1 1037 . 4 1 1 A 85 85 ILE C C 85 174.366 174.109 0.257 1
1 1038 . 4 1 1 A 85 85 ILE CA C 85 57.032 58.355 -1.323 1
1 1039 . 4 1 1 A 85 85 ILE CB C 85 41.265 41.876 -0.611 1
1 1043 . 4 1 1 A 85 85 ILE N N 85 107.777 116.653 -8.876 1
1 1044 . 4 1 1 A 86 86 VAL H H 86 7.552 8.703 -1.151 1
1 1045 . 4 1 1 A 86 86 VAL HA H 86 4.278 4.759 -0.481 1
1 1053 . 4 1 1 A 86 86 VAL CA C 86 59.345 58.896 0.449 1
1 1054 . 4 1 1 A 86 86 VAL CB C 86 34.990 35.653 -0.663 1
1 1057 . 4 1 1 A 86 86 VAL N N 86 109.584 116.929 -7.345 1
1 1058 . 4 1 1 A 87 87 TRP H H 87 10.036 8.765 1.271 1
1 1059 . 4 1 1 A 87 87 TRP HA H 87 6.158 5.302 0.856 1
1 1068 . 4 1 1 A 87 87 TRP C C 87 174.393 176.757 -2.364 1
1 1069 . 4 1 1 A 87 87 TRP CA C 87 55.238 56.345 -1.107 1
1 1070 . 4 1 1 A 87 87 TRP CB C 87 32.786 30.345 2.441 1
1 1076 . 4 1 1 A 87 87 TRP N N 87 122.256 124.710 -2.454 1
1 1078 . 4 1 1 A 88 88 HIS H H 88 8.802 9.056 -0.254 1
1 1079 . 4 1 1 A 88 88 HIS HA H 88 5.383 6.227 -0.844 1
1 1085 . 4 1 1 A 88 88 HIS CA C 88 53.902 53.986 -0.084 1
1 1086 . 4 1 1 A 88 88 HIS CB C 88 37.553 33.055 4.498 1
1 1089 . 4 1 1 A 88 88 HIS N N 88 116.636 120.177 -3.541 1
1 1090 . 4 1 1 A 89 89 ILE H H 89 9.197 9.100 0.097 1
1 1091 . 4 1 1 A 89 89 ILE HA H 89 4.022 4.267 -0.245 1
1 1101 . 4 1 1 A 89 89 ILE C C 89 174.582 176.178 -1.596 1
1 1102 . 4 1 1 A 89 89 ILE CA C 89 61.042 60.282 0.760 1
1 1103 . 4 1 1 A 89 89 ILE CB C 89 40.176 40.338 -0.162 1
1 1107 . 4 1 1 A 89 89 ILE N N 89 118.669 120.558 -1.889 1
1 1108 . 4 1 1 A 90 90 ASN H H 90 9.688 8.947 0.741 1
1 1109 . 4 1 1 A 90 90 ASN HA H 90 4.281 4.335 -0.054 1
1 1114 . 4 1 1 A 90 90 ASN C C 90 171.418 174.071 -2.653 1
1 1115 . 4 1 1 A 90 90 ASN CA C 90 53.724 53.885 -0.161 1
1 1116 . 4 1 1 A 90 90 ASN CB C 90 36.919 36.037 0.882 1
1 1117 . 4 1 1 A 90 90 ASN N N 90 128.710 125.550 3.160 1
1 1119 . 4 1 1 A 91 91 GLN H H 91 10.928 8.302 2.626 1
1 1120 . 4 1 1 A 91 91 GLN HA H 91 2.586 2.708 -0.122 1
1 1127 . 4 1 1 A 91 91 GLN C C 91 170.146 174.286 -4.140 1
1 1128 . 4 1 1 A 91 91 GLN CA C 91 55.444 56.845 -1.401 1
1 1129 . 4 1 1 A 91 91 GLN CB C 91 23.948 26.648 -2.700 1
1 1131 . 4 1 1 A 91 91 GLN N N 91 112.871 111.599 1.272 1
1 1133 . 4 1 1 A 92 92 ALA H H 92 7.692 7.847 -0.155 1
1 1134 . 4 1 1 A 92 92 ALA HA H 92 4.979 5.236 -0.257 1
1 1138 . 4 1 1 A 92 92 ALA C C 92 174.068 175.846 -1.778 1
1 1139 . 4 1 1 A 92 92 ALA CA C 92 49.792 50.984 -1.192 1
1 1140 . 4 1 1 A 92 92 ALA CB C 92 21.832 22.151 -0.319 1
1 1141 . 4 1 1 A 92 92 ALA N N 92 118.287 120.571 -2.284 1
1 1142 . 4 1 1 A 93 93 THR H H 93 9.026 8.852 0.174 1
1 1143 . 4 1 1 A 93 93 THR HA H 93 5.281 5.470 -0.189 1
1 1148 . 4 1 1 A 93 93 THR C C 93 170.768 172.601 -1.833 1
1 1149 . 4 1 1 A 93 93 THR CA C 93 58.597 60.129 -1.532 1
1 1150 . 4 1 1 A 93 93 THR CB C 93 70.855 71.969 -1.114 1
1 1152 . 4 1 1 A 93 93 THR N N 93 114.894 113.150 1.744 1
1 1153 . 4 1 1 A 94 94 THR H H 94 8.292 8.764 -0.472 1
1 1154 . 4 1 1 A 94 94 THR HA H 94 4.903 4.919 -0.016 1
1 1159 . 4 1 1 A 94 94 THR CA C 94 58.800 59.469 -0.669 1
1 1160 . 4 1 1 A 94 94 THR CB C 94 71.488 72.317 -0.829 1
1 1162 . 4 1 1 A 94 94 THR N N 94 119.907 118.413 1.494 1
1 1163 . 4 1 1 A 95 95 LYS HA H 95 4.056 4.083 -0.027 1
1 1172 . 4 1 1 A 95 95 LYS CA C 95 59.376 58.652 0.724 1
1 1173 . 4 1 1 A 95 95 LYS CB C 95 31.083 32.422 -1.339 1
1 1177 . 4 1 1 A 96 96 THR H H 96 7.773 7.621 0.152 1
1 1178 . 4 1 1 A 96 96 THR HA H 96 3.798 4.231 -0.433 1
1 1183 . 4 1 1 A 96 96 THR C C 96 171.850 176.174 -4.324 1
1 1184 . 4 1 1 A 96 96 THR CA C 96 64.506 66.295 -1.789 1
1 1185 . 4 1 1 A 96 96 THR CB C 96 68.405 68.878 -0.473 1
1 1187 . 4 1 1 A 96 96 THR N N 96 113.841 114.593 -0.752 1
1 1188 . 4 1 1 A 97 97 THR H H 97 6.795 7.733 -0.938 1
1 1189 . 4 1 1 A 97 97 THR HA H 97 3.604 4.678 -1.074 1
1 1194 . 4 1 1 A 97 97 THR C C 97 171.959 176.293 -4.334 1
1 1195 . 4 1 1 A 97 97 THR CA C 97 61.209 62.169 -0.960 1
1 1196 . 4 1 1 A 97 97 THR CB C 97 67.962 70.219 -2.257 1
1 1198 . 4 1 1 A 97 97 THR N N 97 105.731 110.179 -4.448 1
1 1199 . 4 1 1 A 98 98 PHE H H 98 7.410 8.171 -0.761 1
1 1200 . 4 1 1 A 98 98 PHE HA H 98 4.220 4.088 0.132 1
1 1207 . 4 1 1 A 98 98 PHE C C 98 174.528 177.553 -3.025 1
1 1208 . 4 1 1 A 98 98 PHE CA C 98 61.879 61.702 0.177 1
1 1209 . 4 1 1 A 98 98 PHE CB C 98 38.875 39.209 -0.334 1
1 1214 . 4 1 1 A 98 98 PHE N N 98 126.402 123.495 2.907 1
1 1215 . 4 1 1 A 99 99 LYS H H 99 9.459 8.242 1.217 1
1 1216 . 4 1 1 A 99 99 LYS HA H 99 4.089 3.504 0.585 1
1 1225 . 4 1 1 A 99 99 LYS CA C 99 60.763 61.275 -0.512 1
1 1226 . 4 1 1 A 99 99 LYS CB C 99 28.635 30.994 -2.359 1
1 1230 . 4 1 1 A 99 99 LYS N N 99 121.490 117.525 3.965 1
1 1231 . 4 1 1 A 100 100 PRO HA H 100 4.922 4.609 0.313 1
1 1238 . 4 1 1 A 100 100 PRO C C 100 177.314 178.926 -1.612 1
1 1239 . 4 1 1 A 100 100 PRO CA C 100 66.173 65.400 0.773 1
1 1240 . 4 1 1 A 100 100 PRO CB C 100 31.535 31.018 0.517 1
1 1243 . 4 1 1 A 101 101 ASN H H 101 8.530 8.309 0.221 1
1 1244 . 4 1 1 A 101 101 ASN HA H 101 5.244 4.525 0.719 1
1 1249 . 4 1 1 A 101 101 ASN C C 101 175.204 177.848 -2.644 1
1 1250 . 4 1 1 A 101 101 ASN CA C 101 54.555 56.102 -1.547 1
1 1251 . 4 1 1 A 101 101 ASN CB C 101 36.187 37.909 -1.722 1
1 1252 . 4 1 1 A 101 101 ASN N N 101 115.238 116.543 -1.305 1
1 1254 . 4 1 1 A 102 102 THR H H 102 8.488 7.960 0.528 1
1 1255 . 4 1 1 A 102 102 THR HA H 102 4.184 3.909 0.275 1
1 1260 . 4 1 1 A 102 102 THR C C 102 171.472 176.892 -5.420 1
1 1261 . 4 1 1 A 102 102 THR CA C 102 67.543 65.655 1.888 1
1 1262 . 4 1 1 A 102 102 THR CB C 102 67.001 67.906 -0.905 1
1 1264 . 4 1 1 A 102 102 THR N N 102 120.254 112.278 7.976 1
1 1265 . 4 1 1 A 103 103 TRP H H 103 7.283 7.905 -0.622 1
1 1266 . 4 1 1 A 103 103 TRP HA H 103 3.986 4.292 -0.306 1
1 1275 . 4 1 1 A 103 103 TRP C C 103 175.800 178.290 -2.490 1
1 1276 . 4 1 1 A 103 103 TRP CA C 103 60.856 59.726 1.130 1
1 1277 . 4 1 1 A 103 103 TRP CB C 103 27.948 29.260 -1.312 1
1 1283 . 4 1 1 A 103 103 TRP N N 103 121.763 121.381 0.382 1
1 1285 . 4 1 1 A 104 104 CYS H H 104 8.233 7.736 0.497 1
1 1286 . 4 1 1 A 104 104 CYS HA H 104 4.272 4.092 0.180 1
1 1289 . 4 1 1 A 104 104 CYS C C 104 176.259 176.968 -0.709 1
1 1290 . 4 1 1 A 104 104 CYS CA C 104 65.226 62.471 2.755 1
1 1291 . 4 1 1 A 104 104 CYS CB C 104 26.949 26.859 0.090 1
1 1292 . 4 1 1 A 104 104 CYS N N 104 118.046 119.286 -1.240 1
1 1293 . 4 1 1 A 105 105 LEU H H 105 8.726 8.226 0.500 1
1 1294 . 4 1 1 A 105 105 LEU HA H 105 4.000 3.941 0.059 1
1 1304 . 4 1 1 A 105 105 LEU C C 105 176.205 178.906 -2.701 1
1 1305 . 4 1 1 A 105 105 LEU CA C 105 57.810 57.968 -0.158 1
1 1306 . 4 1 1 A 105 105 LEU CB C 105 40.484 41.420 -0.936 1
1 1310 . 4 1 1 A 105 105 LEU N N 105 120.557 121.153 -0.596 1
1 1311 . 4 1 1 A 106 106 ARG H H 106 6.990 8.021 -1.031 1
1 1312 . 4 1 1 A 106 106 ARG HA H 106 2.054 2.471 -0.417 1
1 1319 . 4 1 1 A 106 106 ARG C C 106 177.179 178.218 -1.039 1
1 1320 . 4 1 1 A 106 106 ARG CA C 106 57.405 58.200 -0.795 1
1 1321 . 4 1 1 A 106 106 ARG CB C 106 29.269 29.235 0.034 1
1 1324 . 4 1 1 A 106 106 ARG N N 106 118.050 118.011 0.039 1
1 1325 . 4 1 1 A 107 107 CYS H H 107 7.623 7.880 -0.257 1
1 1326 . 4 1 1 A 107 107 CYS HA H 107 4.031 4.235 -0.204 1
1 1329 . 4 1 1 A 107 107 CYS C C 107 172.337 177.204 -4.867 1
1 1330 . 4 1 1 A 107 107 CYS CA C 107 63.291 61.924 1.367 1
1 1331 . 4 1 1 A 107 107 CYS CB C 107 26.214 27.075 -0.861 1
1 1332 . 4 1 1 A 107 107 CYS N N 107 117.028 118.968 -1.940 1
1 1333 . 4 1 1 A 108 108 LEU H H 108 7.484 7.724 -0.240 1
1 1334 . 4 1 1 A 108 108 LEU HA H 108 4.159 4.127 0.032 1
1 1344 . 4 1 1 A 108 108 LEU C C 108 174.582 177.785 -3.203 1
1 1345 . 4 1 1 A 108 108 LEU CA C 108 54.203 57.500 -3.297 1
1 1346 . 4 1 1 A 108 108 LEU CB C 108 41.621 41.980 -0.359 1
1 1350 . 4 1 1 A 108 108 LEU N N 108 117.680 119.015 -1.335 1
1 1351 . 4 1 1 A 109 109 TRP H H 109 7.427 7.742 -0.315 1
1 1352 . 4 1 1 A 109 109 TRP HA H 109 4.828 5.012 -0.184 1
1 1361 . 4 1 1 A 109 109 TRP C C 109 173.176 176.757 -3.581 1
1 1362 . 4 1 1 A 109 109 TRP CA C 109 56.353 58.473 -2.120 1
1 1363 . 4 1 1 A 109 109 TRP CB C 109 29.743 30.633 -0.890 1
1 1369 . 4 1 1 A 109 109 TRP N N 109 119.087 120.568 -1.481 1
1 1371 . 4 1 1 A 110 110 SER H H 110 8.199 8.598 -0.399 1
1 1372 . 4 1 1 A 110 110 SER HA H 110 4.688 4.895 -0.207 1
1 1375 . 4 1 1 A 110 110 SER C C 110 171.769 174.128 -2.359 1
1 1376 . 4 1 1 A 110 110 SER CA C 110 56.324 58.383 -2.059 1
1 1377 . 4 1 1 A 110 110 SER CB C 110 64.513 64.507 0.006 1
1 1378 . 4 1 1 A 110 110 SER N N 110 115.602 118.447 -2.845 1
1 1379 . 4 1 1 A 111 111 THR H H 111 8.268 8.644 -0.376 1
1 1380 . 4 1 1 A 111 111 THR HA H 111 4.425 4.592 -0.167 1
1 1385 . 4 1 1 A 111 111 THR C C 111 171.526 174.418 -2.892 1
1 1386 . 4 1 1 A 111 111 THR CA C 111 60.861 61.472 -0.611 1
1 1387 . 4 1 1 A 111 111 THR CB C 111 69.202 69.891 -0.689 1
1 1389 . 4 1 1 A 111 111 THR N N 111 114.394 115.875 -1.481 1
1 1390 . 4 1 1 A 112 112 LYS H H 112 8.240 8.906 -0.666 1
1 1391 . 4 1 1 A 112 112 LYS HA H 112 4.530 4.377 0.153 1
1 1400 . 4 1 1 A 112 112 LYS CA C 112 53.768 57.108 -3.340 1
1 1401 . 4 1 1 A 112 112 LYS CB C 112 32.067 31.563 0.504 1
1 1405 . 4 1 1 A 112 112 LYS N N 112 125.207 120.883 4.324 1
1 1406 . 4 1 1 A 113 113 PRO HA H 113 4.380 4.608 -0.228 1
1 1413 . 4 1 1 A 113 113 PRO C C 113 174.095 176.975 -2.880 1
1 1414 . 4 1 1 A 113 113 PRO CA C 113 62.381 62.951 -0.570 1
1 1415 . 4 1 1 A 113 113 PRO CB C 113 31.408 32.446 -1.038 1
1 1418 . 4 1 1 A 114 114 VAL H H 114 8.195 8.580 -0.385 1
1 1419 . 4 1 1 A 114 114 VAL HA H 114 4.029 4.607 -0.578 1
1 1427 . 4 1 1 A 114 114 VAL C C 114 173.122 175.476 -2.354 1
1 1428 . 4 1 1 A 114 114 VAL CA C 114 61.335 60.806 0.529 1
1 1429 . 4 1 1 A 114 114 VAL CB C 114 32.153 32.474 -0.321 1
1 1432 . 4 1 1 A 114 114 VAL N N 114 120.113 122.471 -2.358 1
1 1433 . 4 1 1 A 115 115 ASP H H 115 8.345 8.146 0.199 1
1 1434 . 4 1 1 A 115 115 ASP HA H 115 4.592 4.885 -0.293 1
1 1437 . 4 1 1 A 115 115 ASP C C 115 172.608 175.296 -2.688 1
1 1438 . 4 1 1 A 115 115 ASP CA C 115 53.202 53.181 0.021 1
1 1439 . 4 1 1 A 115 115 ASP CB C 115 40.552 41.870 -1.318 1
1 1440 . 4 1 1 A 115 115 ASP N N 115 123.853 122.148 1.705 1
1 1 . 5 1 1 A 2 2 TYR HA H 2 4.617 4.328 0.289 1
1 7 . 5 1 1 A 2 2 TYR C C 2 172.716 176.894 -4.178 1
1 8 . 5 1 1 A 2 2 TYR CA C 2 56.943 61.596 -4.653 1
1 9 . 5 1 1 A 2 2 TYR CB C 2 38.050 37.679 0.371 1
1 14 . 5 1 1 A 2 2 TYR N N 2 121.461 118.598 2.863 1
1 15 . 5 1 1 A 3 3 THR H H 3 7.984 8.108 -0.124 1
1 16 . 5 1 1 A 3 3 THR HA H 3 4.684 4.529 0.155 1
1 21 . 5 1 1 A 3 3 THR C C 3 170.931 174.364 -3.433 1
1 22 . 5 1 1 A 3 3 THR CA C 3 60.870 61.565 -0.695 1
1 23 . 5 1 1 A 3 3 THR CB C 3 69.270 70.129 -0.859 1
1 25 . 5 1 1 A 3 3 THR N N 3 117.624 112.545 5.079 1
1 26 . 5 1 1 A 4 4 GLU H H 4 8.290 7.516 0.774 1
1 27 . 5 1 1 A 4 4 GLU HA H 4 4.183 4.248 -0.065 1
1 32 . 5 1 1 A 4 4 GLU C C 4 173.013 175.831 -2.818 1
1 33 . 5 1 1 A 4 4 GLU CA C 4 55.876 55.072 0.804 1
1 34 . 5 1 1 A 4 4 GLU CB C 4 29.779 28.111 1.668 1
1 36 . 5 1 1 A 4 4 GLU N N 4 123.377 123.445 -0.068 1
1 37 . 5 1 1 A 5 5 GLN H H 5 8.329 8.228 0.101 1
1 38 . 5 1 1 A 5 5 GLN HA H 5 4.392 4.045 0.347 1
1 43 . 5 1 1 A 5 5 GLN CA C 5 52.634 56.503 -3.869 1
1 44 . 5 1 1 A 5 5 GLN CB C 5 28.759 27.567 1.192 1
1 46 . 5 1 1 A 5 5 GLN N N 5 122.599 124.668 -2.069 1
1 47 . 5 1 1 A 6 6 PRO HA H 6 4.323 4.460 -0.137 1
1 54 . 5 1 1 A 6 6 PRO C C 6 173.636 176.365 -2.729 1
1 55 . 5 1 1 A 6 6 PRO CA C 6 62.080 62.619 -0.539 1
1 56 . 5 1 1 A 6 6 PRO CB C 6 30.785 31.874 -1.089 1
1 59 . 5 1 1 A 7 7 ILE H H 7 8.160 8.656 -0.496 1
1 60 . 5 1 1 A 7 7 ILE HA H 7 3.871 3.973 -0.102 1
1 70 . 5 1 1 A 7 7 ILE C C 7 172.770 176.186 -3.416 1
1 71 . 5 1 1 A 7 7 ILE CA C 7 60.589 60.720 -0.131 1
1 72 . 5 1 1 A 7 7 ILE CB C 7 38.318 36.681 1.637 1
1 76 . 5 1 1 A 7 7 ILE N N 7 121.913 122.003 -0.090 1
1 77 . 5 1 1 A 8 8 ASP H H 8 8.126 8.752 -0.626 1
1 78 . 5 1 1 A 8 8 ASP HA H 8 4.584 4.058 0.526 1
1 81 . 5 1 1 A 8 8 ASP C C 8 171.742 174.780 -3.038 1
1 82 . 5 1 1 A 8 8 ASP CA C 8 53.265 55.013 -1.748 1
1 83 . 5 1 1 A 8 8 ASP CB C 8 39.521 39.355 0.166 1
1 84 . 5 1 1 A 8 8 ASP N N 8 124.858 126.793 -1.935 1
1 85 . 5 1 1 A 9 9 LEU H H 9 7.374 7.700 -0.326 1
1 86 . 5 1 1 A 9 9 LEU HA H 9 4.506 4.681 -0.175 1
1 96 . 5 1 1 A 9 9 LEU C C 9 174.041 175.493 -1.452 1
1 97 . 5 1 1 A 9 9 LEU CA C 9 53.779 53.811 -0.032 1
1 98 . 5 1 1 A 9 9 LEU CB C 9 43.411 43.648 -0.237 1
1 102 . 5 1 1 A 9 9 LEU N N 9 122.151 118.680 3.471 1
1 103 . 5 1 1 A 10 10 VAL H H 10 8.827 8.708 0.119 1
1 104 . 5 1 1 A 10 10 VAL HA H 10 4.841 5.027 -0.186 1
1 112 . 5 1 1 A 10 10 VAL CA C 10 57.706 58.462 -0.756 1
1 113 . 5 1 1 A 10 10 VAL CB C 10 33.895 34.934 -1.039 1
1 116 . 5 1 1 A 10 10 VAL N N 10 120.738 119.981 0.757 1
1 117 . 5 1 1 A 11 11 PRO HA H 11 4.766 4.867 -0.101 1
1 124 . 5 1 1 A 11 11 PRO C C 11 173.149 175.163 -2.014 1
1 125 . 5 1 1 A 11 11 PRO CA C 11 62.417 62.899 -0.482 1
1 126 . 5 1 1 A 11 11 PRO CB C 11 32.119 33.321 -1.202 1
1 129 . 5 1 1 A 12 12 THR H H 12 7.408 8.446 -1.038 1
1 130 . 5 1 1 A 12 12 THR HA H 12 4.280 4.802 -0.522 1
1 135 . 5 1 1 A 12 12 THR C C 12 166.981 172.560 -5.579 1
1 136 . 5 1 1 A 12 12 THR CA C 12 59.142 59.971 -0.829 1
1 137 . 5 1 1 A 12 12 THR CB C 12 68.812 70.211 -1.399 1
1 139 . 5 1 1 A 12 12 THR N N 12 115.177 116.107 -0.930 1
1 140 . 5 1 1 A 13 13 GLN H H 13 7.953 8.701 -0.748 1
1 141 . 5 1 1 A 13 13 GLN HA H 13 5.073 4.907 0.166 1
1 146 . 5 1 1 A 13 13 GLN CA C 13 52.836 53.127 -0.291 1
1 147 . 5 1 1 A 13 13 GLN CB C 13 28.566 32.006 -3.440 1
1 149 . 5 1 1 A 13 13 GLN N N 13 113.324 119.281 -5.957 1
1 150 . 5 1 1 A 14 14 PRO HA H 14 4.340 4.641 -0.301 1
1 157 . 5 1 1 A 14 14 PRO C C 14 173.392 176.761 -3.369 1
1 158 . 5 1 1 A 14 14 PRO CA C 14 62.498 62.658 -0.160 1
1 159 . 5 1 1 A 14 14 PRO CB C 14 31.565 32.227 -0.662 1
1 162 . 5 1 1 A 15 15 LEU H H 15 8.764 8.349 0.415 1
1 163 . 5 1 1 A 15 15 LEU HA H 15 4.511 4.495 0.016 1
1 173 . 5 1 1 A 15 15 LEU CA C 15 52.597 53.492 -0.895 1
1 174 . 5 1 1 A 15 15 LEU CB C 15 40.769 40.991 -0.222 1
1 178 . 5 1 1 A 15 15 LEU N N 15 124.665 122.286 2.379 1
1 179 . 5 1 1 A 16 16 PRO HA H 16 4.325 4.372 -0.047 1
1 186 . 5 1 1 A 16 16 PRO CA C 16 63.358 63.505 -0.147 1
1 187 . 5 1 1 A 16 16 PRO CB C 16 31.187 32.071 -0.884 1
1 190 . 5 1 1 A 17 17 ASN H H 17 8.682 8.929 -0.247 1
1 191 . 5 1 1 A 17 17 ASN HA H 17 4.586 4.495 0.091 1
1 196 . 5 1 1 A 17 17 ASN C C 17 174.691 174.930 -0.239 1
1 197 . 5 1 1 A 17 17 ASN CA C 17 52.745 54.069 -1.324 1
1 198 . 5 1 1 A 17 17 ASN CB C 17 36.762 36.271 0.491 1
1 199 . 5 1 1 A 17 17 ASN N N 17 114.315 120.986 -6.671 1
1 201 . 5 1 1 A 18 18 ALA H H 18 7.283 7.816 -0.533 1
1 202 . 5 1 1 A 18 18 ALA HA H 18 4.569 4.408 0.161 1
1 206 . 5 1 1 A 18 18 ALA C C 18 174.041 176.860 -2.819 1
1 207 . 5 1 1 A 18 18 ALA CA C 18 51.618 53.224 -1.606 1
1 208 . 5 1 1 A 18 18 ALA CB C 18 20.698 19.882 0.816 1
1 209 . 5 1 1 A 18 18 ALA N N 18 121.620 123.617 -1.997 1
1 210 . 5 1 1 A 19 19 SER H H 19 8.744 8.959 -0.215 1
1 211 . 5 1 1 A 19 19 SER HA H 19 4.479 4.975 -0.496 1
1 214 . 5 1 1 A 19 19 SER C C 19 169.984 172.563 -2.579 1
1 215 . 5 1 1 A 19 19 SER CA C 19 56.634 56.859 -0.225 1
1 216 . 5 1 1 A 19 19 SER CB C 19 65.044 66.211 -1.167 1
1 217 . 5 1 1 A 19 19 SER N N 19 113.995 114.059 -0.064 1
1 218 . 5 1 1 A 20 20 PHE H H 20 7.753 8.075 -0.322 1
1 219 . 5 1 1 A 20 20 PHE HA H 20 3.514 4.126 -0.612 1
1 226 . 5 1 1 A 20 20 PHE C C 20 172.635 174.499 -1.864 1
1 227 . 5 1 1 A 20 20 PHE CA C 20 58.070 58.826 -0.756 1
1 228 . 5 1 1 A 20 20 PHE CB C 20 37.588 39.167 -1.579 1
1 233 . 5 1 1 A 20 20 PHE N N 20 124.690 124.917 -0.227 1
1 234 . 5 1 1 A 21 21 ASP H H 21 8.288 7.590 0.698 1
1 235 . 5 1 1 A 21 21 ASP HA H 21 4.351 4.736 -0.385 1
1 238 . 5 1 1 A 21 21 ASP CA C 21 51.826 52.859 -1.033 1
1 239 . 5 1 1 A 21 21 ASP CB C 21 38.598 43.991 -5.393 1
1 240 . 5 1 1 A 21 21 ASP N N 21 127.080 126.240 0.840 1
1 241 . 5 1 1 A 22 22 ASN HA H 22 3.766 4.262 -0.496 1
1 246 . 5 1 1 A 22 22 ASN C C 22 171.688 175.661 -3.973 1
1 247 . 5 1 1 A 22 22 ASN CA C 22 54.954 55.256 -0.302 1
1 248 . 5 1 1 A 22 22 ASN CB C 22 37.641 38.316 -0.675 1
1 250 . 5 1 1 A 23 23 PHE H H 23 5.484 7.502 -2.018 1
1 251 . 5 1 1 A 23 23 PHE HA H 23 4.804 4.558 0.246 1
1 259 . 5 1 1 A 23 23 PHE C C 23 169.768 174.706 -4.938 1
1 260 . 5 1 1 A 23 23 PHE CA C 23 54.649 57.553 -2.904 1
1 261 . 5 1 1 A 23 23 PHE CB C 23 39.850 39.563 0.287 1
1 267 . 5 1 1 A 23 23 PHE N N 23 112.858 117.979 -5.121 1
1 268 . 5 1 1 A 24 24 LYS H H 24 8.329 8.686 -0.357 1
1 269 . 5 1 1 A 24 24 LYS HA H 24 3.719 4.725 -1.006 1
1 278 . 5 1 1 A 24 24 LYS C C 24 171.959 175.122 -3.163 1
1 279 . 5 1 1 A 24 24 LYS CA C 24 53.756 53.938 -0.182 1
1 280 . 5 1 1 A 24 24 LYS CB C 24 36.279 35.479 0.800 1
1 284 . 5 1 1 A 24 24 LYS N N 24 119.724 120.949 -1.225 1
1 285 . 5 1 1 A 25 25 LEU H H 25 9.144 8.242 0.902 1
1 286 . 5 1 1 A 25 25 LEU HA H 25 5.462 5.164 0.298 1
1 296 . 5 1 1 A 25 25 LEU C C 25 174.609 176.315 -1.706 1
1 297 . 5 1 1 A 25 25 LEU CA C 25 53.208 53.705 -0.497 1
1 298 . 5 1 1 A 25 25 LEU CB C 25 41.419 43.056 -1.637 1
1 302 . 5 1 1 A 25 25 LEU N N 25 126.849 126.048 0.801 1
1 303 . 5 1 1 A 26 26 THR H H 26 8.956 9.182 -0.226 1
1 304 . 5 1 1 A 26 26 THR HA H 26 4.471 5.243 -0.772 1
1 309 . 5 1 1 A 26 26 THR C C 26 169.524 173.159 -3.635 1
1 310 . 5 1 1 A 26 26 THR CA C 26 58.769 59.732 -0.963 1
1 311 . 5 1 1 A 26 26 THR CB C 26 69.971 71.884 -1.913 1
1 313 . 5 1 1 A 26 26 THR N N 26 113.907 114.155 -0.248 1
1 314 . 5 1 1 A 27 27 CYS H H 27 8.507 8.505 0.002 1
1 315 . 5 1 1 A 27 27 CYS HA H 27 4.509 4.849 -0.340 1
1 318 . 5 1 1 A 27 27 CYS C C 27 169.984 174.864 -4.880 1
1 319 . 5 1 1 A 27 27 CYS CA C 27 57.948 57.892 0.056 1
1 320 . 5 1 1 A 27 27 CYS CB C 27 29.529 30.786 -1.257 1
1 321 . 5 1 1 A 27 27 CYS N N 27 120.842 119.335 1.507 1
1 322 . 5 1 1 A 28 28 SER H H 28 9.044 8.797 0.247 1
1 323 . 5 1 1 A 28 28 SER HA H 28 4.140 4.230 -0.090 1
1 326 . 5 1 1 A 28 28 SER C C 28 172.716 174.918 -2.202 1
1 327 . 5 1 1 A 28 28 SER CA C 28 60.986 61.787 -0.801 1
1 328 . 5 1 1 A 28 28 SER CB C 28 61.437 62.701 -1.264 1
1 329 . 5 1 1 A 28 28 SER N N 28 124.898 119.149 5.749 1
1 330 . 5 1 1 A 29 29 ASN H H 29 7.825 7.892 -0.067 1
1 331 . 5 1 1 A 29 29 ASN HA H 29 4.951 4.836 0.115 1
1 336 . 5 1 1 A 29 29 ASN C C 29 171.688 176.376 -4.688 1
1 337 . 5 1 1 A 29 29 ASN CA C 29 52.155 53.411 -1.256 1
1 338 . 5 1 1 A 29 29 ASN CB C 29 36.980 38.709 -1.729 1
1 339 . 5 1 1 A 29 29 ASN N N 29 121.001 118.205 2.796 1
1 341 . 5 1 1 A 30 30 THR H H 30 8.062 8.685 -0.623 1
1 342 . 5 1 1 A 30 30 THR HA H 30 3.901 4.030 -0.129 1
1 347 . 5 1 1 A 30 30 THR C C 30 173.338 176.654 -3.316 1
1 348 . 5 1 1 A 30 30 THR CA C 30 64.874 66.011 -1.137 1
1 349 . 5 1 1 A 30 30 THR CB C 30 67.715 68.819 -1.104 1
1 351 . 5 1 1 A 30 30 THR N N 30 119.799 117.778 2.021 1
1 352 . 5 1 1 A 31 31 LYS H H 31 8.015 8.201 -0.186 1
1 353 . 5 1 1 A 31 31 LYS HA H 31 4.119 4.046 0.073 1
1 362 . 5 1 1 A 31 31 LYS C C 31 174.231 178.568 -4.337 1
1 363 . 5 1 1 A 31 31 LYS CA C 31 58.286 59.755 -1.469 1
1 364 . 5 1 1 A 31 31 LYS CB C 31 31.547 32.425 -0.878 1
1 368 . 5 1 1 A 31 31 LYS N N 31 122.845 122.470 0.375 1
1 369 . 5 1 1 A 32 32 PHE H H 32 7.739 8.289 -0.550 1
1 370 . 5 1 1 A 32 32 PHE HA H 32 4.652 4.246 0.406 1
1 378 . 5 1 1 A 32 32 PHE C C 32 174.691 176.906 -2.215 1
1 379 . 5 1 1 A 32 32 PHE CA C 32 59.954 61.874 -1.920 1
1 380 . 5 1 1 A 32 32 PHE CB C 32 38.444 39.413 -0.969 1
1 386 . 5 1 1 A 32 32 PHE N N 32 120.100 120.969 -0.869 1
1 387 . 5 1 1 A 33 33 ALA H H 33 6.955 7.888 -0.933 1
1 388 . 5 1 1 A 33 33 ALA HA H 33 3.555 3.855 -0.300 1
1 392 . 5 1 1 A 33 33 ALA C C 33 175.502 179.443 -3.941 1
1 393 . 5 1 1 A 33 33 ALA CA C 33 54.703 55.212 -0.509 1
1 394 . 5 1 1 A 33 33 ALA CB C 33 17.085 18.171 -1.086 1
1 395 . 5 1 1 A 33 33 ALA N N 33 116.140 120.975 -4.835 1
1 396 . 5 1 1 A 34 34 ASP H H 34 8.795 8.668 0.127 1
1 397 . 5 1 1 A 34 34 ASP HA H 34 4.367 4.429 -0.062 1
1 400 . 5 1 1 A 34 34 ASP C C 34 176.854 178.099 -1.245 1
1 401 . 5 1 1 A 34 34 ASP CA C 34 56.911 57.689 -0.778 1
1 402 . 5 1 1 A 34 34 ASP CB C 34 39.495 41.200 -1.705 1
1 403 . 5 1 1 A 34 34 ASP N N 34 118.170 118.333 -0.163 1
1 404 . 5 1 1 A 35 35 ASP H H 35 8.791 8.265 0.526 1
1 405 . 5 1 1 A 35 35 ASP HA H 35 4.360 4.413 -0.053 1
1 408 . 5 1 1 A 35 35 ASP C C 35 177.233 178.611 -1.378 1
1 409 . 5 1 1 A 35 35 ASP CA C 35 56.890 56.980 -0.090 1
1 410 . 5 1 1 A 35 35 ASP CB C 35 39.291 40.889 -1.598 1
1 411 . 5 1 1 A 35 35 ASP N N 35 121.921 119.800 2.121 1
1 412 . 5 1 1 A 36 36 LEU H H 36 7.792 8.139 -0.347 1
1 413 . 5 1 1 A 36 36 LEU HA H 36 4.162 3.918 0.244 1
1 423 . 5 1 1 A 36 36 LEU C C 36 176.097 179.445 -3.348 1
1 424 . 5 1 1 A 36 36 LEU CA C 36 57.508 57.942 -0.434 1
1 425 . 5 1 1 A 36 36 LEU CB C 36 41.523 41.174 0.349 1
1 429 . 5 1 1 A 36 36 LEU N N 36 121.822 119.877 1.945 1
1 430 . 5 1 1 A 37 37 ASN H H 37 9.015 8.587 0.428 1
1 431 . 5 1 1 A 37 37 ASN HA H 37 4.733 4.465 0.268 1
1 436 . 5 1 1 A 37 37 ASN C C 37 176.232 178.573 -2.341 1
1 437 . 5 1 1 A 37 37 ASN CA C 37 54.288 56.489 -2.201 1
1 438 . 5 1 1 A 37 37 ASN CB C 37 37.337 37.834 -0.497 1
1 439 . 5 1 1 A 37 37 ASN N N 37 116.904 118.092 -1.188 1
1 441 . 5 1 1 A 38 38 GLN H H 38 8.218 7.615 0.603 1
1 442 . 5 1 1 A 38 38 GLN HA H 38 4.074 4.094 -0.020 1
1 447 . 5 1 1 A 38 38 GLN C C 38 175.773 179.189 -3.416 1
1 448 . 5 1 1 A 38 38 GLN CA C 38 58.134 58.998 -0.864 1
1 449 . 5 1 1 A 38 38 GLN CB C 38 27.676 28.571 -0.895 1
1 451 . 5 1 1 A 38 38 GLN N N 38 121.443 120.151 1.292 1
1 452 . 5 1 1 A 39 39 MET H H 39 7.487 7.965 -0.478 1
1 453 . 5 1 1 A 39 39 MET HA H 39 3.967 4.287 -0.320 1
1 461 . 5 1 1 A 39 39 MET C C 39 176.259 176.973 -0.714 1
1 462 . 5 1 1 A 39 39 MET CA C 39 58.374 57.836 0.538 1
1 463 . 5 1 1 A 39 39 MET CB C 39 33.000 32.622 0.378 1
1 466 . 5 1 1 A 39 39 MET N N 39 118.793 119.418 -0.625 1
1 467 . 5 1 1 A 40 40 THR H H 40 7.873 7.844 0.029 1
1 468 . 5 1 1 A 40 40 THR HA H 40 3.769 4.376 -0.607 1
1 473 . 5 1 1 A 40 40 THR C C 40 173.906 174.499 -0.593 1
1 474 . 5 1 1 A 40 40 THR CA C 40 61.739 62.762 -1.023 1
1 475 . 5 1 1 A 40 40 THR CB C 40 68.427 70.164 -1.737 1
1 477 . 5 1 1 A 40 40 THR N N 40 108.945 111.417 -2.472 1
1 478 . 5 1 1 A 41 41 GLY H H 41 7.199 7.497 -0.298 1
1 479 . 5 1 1 A 41 41 GLY HA2 H 41 3.899 4.070 -0.171 1
1 480 . 5 1 1 A 41 41 GLY HA3 H 41 3.662 4.112 -0.450 1
1 481 . 5 1 1 A 41 41 GLY C C 41 171.661 174.643 -2.982 1
1 482 . 5 1 1 A 41 41 GLY CA C 41 44.926 45.030 -0.104 1
1 483 . 5 1 1 A 41 41 GLY N N 41 106.430 109.367 -2.937 1
1 484 . 5 1 1 A 42 42 PHE H H 42 7.876 8.017 -0.141 1
1 485 . 5 1 1 A 42 42 PHE HA H 42 4.682 4.583 0.099 1
1 493 . 5 1 1 A 42 42 PHE C C 42 171.499 174.711 -3.212 1
1 494 . 5 1 1 A 42 42 PHE CA C 42 57.793 59.180 -1.387 1
1 495 . 5 1 1 A 42 42 PHE CB C 42 39.422 39.820 -0.398 1
1 501 . 5 1 1 A 42 42 PHE N N 42 122.221 121.990 0.231 1
1 502 . 5 1 1 A 43 43 THR H H 43 8.418 8.538 -0.120 1
1 503 . 5 1 1 A 43 43 THR HA H 43 3.665 4.073 -0.408 1
1 508 . 5 1 1 A 43 43 THR C C 43 168.767 173.148 -4.381 1
1 509 . 5 1 1 A 43 43 THR CA C 43 59.002 60.378 -1.376 1
1 510 . 5 1 1 A 43 43 THR CB C 43 70.919 72.171 -1.252 1
1 512 . 5 1 1 A 43 43 THR N N 43 123.470 122.939 0.531 1
1 513 . 5 1 1 A 44 44 LYS H H 44 7.999 7.904 0.095 1
1 514 . 5 1 1 A 44 44 LYS HA H 44 3.924 4.569 -0.645 1
1 523 . 5 1 1 A 44 44 LYS CA C 44 54.785 54.819 -0.034 1
1 524 . 5 1 1 A 44 44 LYS CB C 44 31.047 31.489 -0.442 1
1 528 . 5 1 1 A 44 44 LYS N N 44 124.728 125.523 -0.795 1
1 529 . 5 1 1 A 45 45 PRO HA H 45 4.581 4.526 0.055 1
1 536 . 5 1 1 A 45 45 PRO C C 45 172.770 176.880 -4.110 1
1 537 . 5 1 1 A 45 45 PRO CA C 45 60.970 62.651 -1.681 1
1 538 . 5 1 1 A 45 45 PRO CB C 45 33.754 32.680 1.074 1
1 541 . 5 1 1 A 46 46 ALA H H 46 8.715 8.573 0.142 1
1 542 . 5 1 1 A 46 46 ALA HA H 46 4.674 4.838 -0.164 1
1 546 . 5 1 1 A 46 46 ALA C C 46 175.827 178.650 -2.823 1
1 547 . 5 1 1 A 46 46 ALA CA C 46 50.851 52.556 -1.705 1
1 548 . 5 1 1 A 46 46 ALA CB C 46 20.458 18.941 1.517 1
1 549 . 5 1 1 A 46 46 ALA N N 46 123.249 124.983 -1.734 1
1 550 . 5 1 1 A 47 47 SER H H 47 8.518 8.650 -0.132 1
1 551 . 5 1 1 A 47 47 SER HA H 47 4.202 4.349 -0.147 1
1 554 . 5 1 1 A 47 47 SER C C 47 171.769 174.672 -2.903 1
1 555 . 5 1 1 A 47 47 SER CA C 47 58.740 61.108 -2.368 1
1 556 . 5 1 1 A 47 47 SER CB C 47 62.419 63.877 -1.458 1
1 557 . 5 1 1 A 47 47 SER N N 47 117.696 117.856 -0.160 1
1 558 . 5 1 1 A 48 48 ARG H H 48 7.276 7.887 -0.611 1
1 559 . 5 1 1 A 48 48 ARG HA H 48 4.466 4.902 -0.436 1
1 566 . 5 1 1 A 48 48 ARG C C 48 170.417 173.778 -3.361 1
1 567 . 5 1 1 A 48 48 ARG CA C 48 54.164 54.199 -0.035 1
1 568 . 5 1 1 A 48 48 ARG CB C 48 29.775 33.660 -3.885 1
1 571 . 5 1 1 A 48 48 ARG N N 48 115.830 116.158 -0.328 1
1 572 . 5 1 1 A 49 49 GLU H H 49 8.681 8.704 -0.023 1
1 573 . 5 1 1 A 49 49 GLU HA H 49 5.373 5.608 -0.235 1
1 578 . 5 1 1 A 49 49 GLU C C 49 172.716 175.163 -2.447 1
1 579 . 5 1 1 A 49 49 GLU CA C 49 53.744 54.650 -0.906 1
1 580 . 5 1 1 A 49 49 GLU CB C 49 32.057 33.662 -1.605 1
1 582 . 5 1 1 A 49 49 GLU N N 49 119.800 118.974 0.826 1
1 583 . 5 1 1 A 50 50 LEU H H 50 8.720 8.901 -0.181 1
1 584 . 5 1 1 A 50 50 LEU HA H 50 4.821 5.087 -0.266 1
1 594 . 5 1 1 A 50 50 LEU C C 50 171.932 176.530 -4.598 1
1 595 . 5 1 1 A 50 50 LEU CA C 50 52.447 53.483 -1.036 1
1 596 . 5 1 1 A 50 50 LEU CB C 50 44.748 45.416 -0.668 1
1 600 . 5 1 1 A 50 50 LEU N N 50 124.747 124.252 0.495 1
1 601 . 5 1 1 A 51 51 SER H H 51 9.560 9.081 0.479 1
1 602 . 5 1 1 A 51 51 SER HA H 51 4.881 5.343 -0.462 1
1 605 . 5 1 1 A 51 51 SER C C 51 171.769 173.747 -1.978 1
1 606 . 5 1 1 A 51 51 SER CA C 51 55.707 56.928 -1.221 1
1 607 . 5 1 1 A 51 51 SER CB C 51 64.701 65.497 -0.796 1
1 608 . 5 1 1 A 51 51 SER N N 51 119.156 118.768 0.388 1
1 609 . 5 1 1 A 52 52 VAL H H 52 8.416 8.073 0.343 1
1 610 . 5 1 1 A 52 52 VAL HA H 52 5.196 5.076 0.120 1
1 618 . 5 1 1 A 52 52 VAL CA C 52 59.207 60.378 -1.171 1
1 619 . 5 1 1 A 52 52 VAL CB C 52 33.156 34.773 -1.617 1
1 622 . 5 1 1 A 52 52 VAL N N 52 121.797 120.550 1.247 1
1 623 . 5 1 1 A 53 53 THR H H 53 8.383 8.674 -0.291 1
1 624 . 5 1 1 A 53 53 THR HA H 53 4.358 4.904 -0.546 1
1 629 . 5 1 1 A 53 53 THR C C 53 169.741 172.157 -2.416 1
1 630 . 5 1 1 A 53 53 THR CA C 53 58.375 60.226 -1.851 1
1 631 . 5 1 1 A 53 53 THR CB C 53 70.707 71.614 -0.907 1
1 633 . 5 1 1 A 53 53 THR N N 53 117.287 117.128 0.159 1
1 634 . 5 1 1 A 54 54 PHE H H 54 8.737 8.975 -0.238 1
1 635 . 5 1 1 A 54 54 PHE HA H 54 4.536 5.039 -0.503 1
1 643 . 5 1 1 A 54 54 PHE C C 54 172.986 175.243 -2.257 1
1 644 . 5 1 1 A 54 54 PHE CA C 54 57.064 55.895 1.169 1
1 645 . 5 1 1 A 54 54 PHE CB C 54 38.755 40.189 -1.434 1
1 651 . 5 1 1 A 54 54 PHE N N 54 118.180 121.711 -3.531 1
1 652 . 5 1 1 A 55 55 PHE H H 55 9.167 9.119 0.048 1
1 653 . 5 1 1 A 55 55 PHE HA H 55 3.715 4.551 -0.836 1
1 660 . 5 1 1 A 55 55 PHE CA C 55 57.908 57.100 0.808 1
1 661 . 5 1 1 A 55 55 PHE CB C 55 39.594 38.786 0.808 1
1 666 . 5 1 1 A 55 55 PHE N N 55 128.290 124.144 4.146 1
1 667 . 5 1 1 A 56 56 PRO HA H 56 2.356 4.133 -1.777 1
1 674 . 5 1 1 A 56 56 PRO C C 56 171.012 174.838 -3.826 1
1 675 . 5 1 1 A 56 56 PRO CA C 56 62.611 62.168 0.443 1
1 676 . 5 1 1 A 56 56 PRO CB C 56 32.522 31.424 1.098 1
1 679 . 5 1 1 A 57 57 ASP H H 57 9.009 8.302 0.707 1
1 680 . 5 1 1 A 57 57 ASP HA H 57 4.289 4.908 -0.619 1
1 683 . 5 1 1 A 57 57 ASP C C 57 173.257 173.720 -0.463 1
1 684 . 5 1 1 A 57 57 ASP CA C 57 53.752 54.003 -0.251 1
1 685 . 5 1 1 A 57 57 ASP CB C 57 40.067 43.609 -3.542 1
1 686 . 5 1 1 A 57 57 ASP N N 57 127.876 122.147 5.729 1
1 687 . 5 1 1 A 58 58 LEU H H 58 8.368 8.655 -0.287 1
1 688 . 5 1 1 A 58 58 LEU HA H 58 4.229 4.680 -0.451 1
1 698 . 5 1 1 A 58 58 LEU C C 58 174.285 176.858 -2.573 1
1 699 . 5 1 1 A 58 58 LEU CA C 58 52.468 53.227 -0.759 1
1 700 . 5 1 1 A 58 58 LEU CB C 58 40.258 41.800 -1.542 1
1 704 . 5 1 1 A 58 58 LEU N N 58 128.010 122.406 5.604 1
1 705 . 5 1 1 A 59 59 ASN H H 59 8.430 8.055 0.375 1
1 706 . 5 1 1 A 59 59 ASN HA H 59 4.198 4.867 -0.669 1
1 711 . 5 1 1 A 59 59 ASN C C 59 173.636 175.444 -1.808 1
1 712 . 5 1 1 A 59 59 ASN CA C 59 54.945 52.898 2.047 1
1 713 . 5 1 1 A 59 59 ASN CB C 59 38.175 39.713 -1.538 1
1 714 . 5 1 1 A 59 59 ASN N N 59 116.745 118.406 -1.661 1
1 716 . 5 1 1 A 60 60 GLY H H 60 8.083 7.922 0.161 1
1 717 . 5 1 1 A 60 60 GLY HA2 H 60 3.766 3.979 -0.213 1
1 718 . 5 1 1 A 60 60 GLY HA3 H 60 3.326 4.001 -0.675 1
1 719 . 5 1 1 A 60 60 GLY C C 60 169.876 174.267 -4.391 1
1 720 . 5 1 1 A 60 60 GLY CA C 60 44.285 44.749 -0.464 1
1 721 . 5 1 1 A 60 60 GLY N N 60 110.045 107.917 2.128 1
1 722 . 5 1 1 A 61 61 ASP H H 61 8.084 8.044 0.040 1
1 723 . 5 1 1 A 61 61 ASP HA H 61 4.200 4.449 -0.249 1
1 726 . 5 1 1 A 61 61 ASP C C 61 172.283 176.159 -3.876 1
1 727 . 5 1 1 A 61 61 ASP CA C 61 56.865 55.884 0.981 1
1 728 . 5 1 1 A 61 61 ASP CB C 61 42.113 41.837 0.276 1
1 729 . 5 1 1 A 61 61 ASP N N 61 121.395 119.149 2.246 1
1 730 . 5 1 1 A 62 62 VAL H H 62 8.387 7.767 0.620 1
1 731 . 5 1 1 A 62 62 VAL HA H 62 4.096 4.550 -0.454 1
1 739 . 5 1 1 A 62 62 VAL C C 62 171.255 174.452 -3.197 1
1 740 . 5 1 1 A 62 62 VAL CA C 62 58.914 60.518 -1.604 1
1 741 . 5 1 1 A 62 62 VAL CB C 62 34.433 35.286 -0.853 1
1 744 . 5 1 1 A 62 62 VAL N N 62 117.701 118.285 -0.584 1
1 745 . 5 1 1 A 63 63 VAL H H 63 8.251 8.418 -0.167 1
1 746 . 5 1 1 A 63 63 VAL HA H 63 4.637 4.909 -0.272 1
1 754 . 5 1 1 A 63 63 VAL C C 63 171.282 174.509 -3.227 1
1 755 . 5 1 1 A 63 63 VAL CA C 63 59.233 59.794 -0.561 1
1 756 . 5 1 1 A 63 63 VAL CB C 63 33.531 35.789 -2.258 1
1 759 . 5 1 1 A 63 63 VAL N N 63 125.341 125.467 -0.126 1
1 760 . 5 1 1 A 64 64 ALA H H 64 9.316 8.664 0.652 1
1 761 . 5 1 1 A 64 64 ALA HA H 64 5.036 5.285 -0.249 1
1 765 . 5 1 1 A 64 64 ALA C C 64 173.825 175.893 -2.068 1
1 766 . 5 1 1 A 64 64 ALA CA C 64 49.059 50.505 -1.446 1
1 767 . 5 1 1 A 64 64 ALA CB C 64 20.323 23.112 -2.789 1
1 768 . 5 1 1 A 64 64 ALA N N 64 128.526 124.475 4.051 1
1 769 . 5 1 1 A 65 65 ILE H H 65 9.451 9.019 0.432 1
1 770 . 5 1 1 A 65 65 ILE HA H 65 4.475 4.841 -0.366 1
1 780 . 5 1 1 A 65 65 ILE C C 65 172.121 174.938 -2.817 1
1 781 . 5 1 1 A 65 65 ILE CA C 65 56.490 59.849 -3.359 1
1 782 . 5 1 1 A 65 65 ILE CB C 65 37.474 41.018 -3.544 1
1 786 . 5 1 1 A 65 65 ILE N N 65 126.677 120.811 5.866 1
1 787 . 5 1 1 A 66 66 ASP H H 66 9.165 8.773 0.392 1
1 788 . 5 1 1 A 66 66 ASP HA H 66 4.045 4.331 -0.286 1
1 791 . 5 1 1 A 66 66 ASP C C 66 174.663 177.067 -2.404 1
1 792 . 5 1 1 A 66 66 ASP CA C 66 54.199 54.397 -0.198 1
1 793 . 5 1 1 A 66 66 ASP CB C 66 42.211 42.781 -0.570 1
1 794 . 5 1 1 A 66 66 ASP N N 66 128.723 126.788 1.935 1
1 795 . 5 1 1 A 67 67 TYR H H 67 8.919 9.115 -0.196 1
1 796 . 5 1 1 A 67 67 TYR HA H 67 4.344 4.233 0.111 1
1 801 . 5 1 1 A 67 67 TYR C C 67 173.257 177.402 -4.145 1
1 802 . 5 1 1 A 67 67 TYR CA C 67 59.614 61.793 -2.179 1
1 803 . 5 1 1 A 67 67 TYR CB C 67 39.338 38.911 0.427 1
1 806 . 5 1 1 A 67 67 TYR N N 67 127.739 128.132 -0.393 1
1 807 . 5 1 1 A 68 68 ARG H H 68 9.459 8.848 0.611 1
1 808 . 5 1 1 A 68 68 ARG HA H 68 3.923 4.139 -0.216 1
1 815 . 5 1 1 A 68 68 ARG C C 68 174.150 176.956 -2.806 1
1 816 . 5 1 1 A 68 68 ARG CA C 68 57.691 58.251 -0.560 1
1 817 . 5 1 1 A 68 68 ARG CB C 68 27.945 29.819 -1.874 1
1 820 . 5 1 1 A 68 68 ARG N N 68 121.666 117.495 4.171 1
1 821 . 5 1 1 A 69 69 HIS H H 69 8.146 7.700 0.446 1
1 822 . 5 1 1 A 69 69 HIS HA H 69 4.538 4.877 -0.339 1
1 826 . 5 1 1 A 69 69 HIS C C 69 171.391 174.495 -3.104 1
1 827 . 5 1 1 A 69 69 HIS CA C 69 55.405 55.685 -0.280 1
1 828 . 5 1 1 A 69 69 HIS CB C 69 29.458 30.778 -1.320 1
1 830 . 5 1 1 A 69 69 HIS N N 69 117.372 116.488 0.884 1
1 831 . 5 1 1 A 70 70 TYR H H 70 7.468 7.492 -0.024 1
1 832 . 5 1 1 A 70 70 TYR HA H 70 3.431 2.968 0.463 1
1 839 . 5 1 1 A 70 70 TYR C C 70 171.904 174.117 -2.213 1
1 840 . 5 1 1 A 70 70 TYR CA C 70 60.020 55.384 4.636 1
1 841 . 5 1 1 A 70 70 TYR CB C 70 37.554 35.658 1.896 1
1 846 . 5 1 1 A 70 70 TYR N N 70 121.636 122.107 -0.471 1
1 847 . 5 1 1 A 71 71 SER H H 71 5.657 9.082 -3.425 1
1 848 . 5 1 1 A 71 71 SER HA H 71 3.958 4.438 -0.480 1
1 851 . 5 1 1 A 71 71 SER C C 71 170.390 175.664 -5.274 1
1 852 . 5 1 1 A 71 71 SER CA C 71 55.267 57.141 -1.874 1
1 853 . 5 1 1 A 71 71 SER CB C 71 64.410 64.363 0.047 1
1 854 . 5 1 1 A 71 71 SER N N 71 120.240 122.150 -1.910 1
1 855 . 5 1 1 A 72 72 ALA H H 72 8.461 8.856 -0.395 1
1 856 . 5 1 1 A 72 72 ALA HA H 72 3.757 4.021 -0.264 1
1 860 . 5 1 1 A 72 72 ALA CA C 72 54.250 53.923 0.327 1
1 861 . 5 1 1 A 72 72 ALA CB C 72 17.423 18.440 -1.017 1
1 862 . 5 1 1 A 72 72 ALA N N 72 123.497 130.392 -6.895 1
1 863 . 5 1 1 A 73 73 SER HA H 73 3.904 3.918 -0.014 1
1 866 . 5 1 1 A 73 73 SER C C 73 172.500 175.585 -3.085 1
1 867 . 5 1 1 A 73 73 SER CA C 73 59.873 61.932 -2.059 1
1 868 . 5 1 1 A 73 73 SER CB C 73 61.769 62.804 -1.035 1
1 869 . 5 1 1 A 74 74 PHE H H 74 7.508 7.509 -0.001 1
1 870 . 5 1 1 A 74 74 PHE HA H 74 5.163 4.666 0.497 1
1 877 . 5 1 1 A 74 74 PHE C C 74 173.987 176.247 -2.260 1
1 878 . 5 1 1 A 74 74 PHE CA C 74 53.320 58.630 -5.310 1
1 879 . 5 1 1 A 74 74 PHE CB C 74 37.854 38.579 -0.725 1
1 884 . 5 1 1 A 74 74 PHE N N 74 118.853 117.947 0.906 1
1 885 . 5 1 1 A 75 75 LYS H H 75 7.245 7.984 -0.739 1
1 886 . 5 1 1 A 75 75 LYS HA H 75 4.200 4.005 0.195 1
1 895 . 5 1 1 A 75 75 LYS C C 75 173.717 177.798 -4.081 1
1 896 . 5 1 1 A 75 75 LYS CA C 75 59.003 59.871 -0.868 1
1 897 . 5 1 1 A 75 75 LYS CB C 75 31.846 32.085 -0.239 1
1 901 . 5 1 1 A 75 75 LYS N N 75 121.129 122.712 -1.583 1
1 902 . 5 1 1 A 76 76 LYS H H 76 7.841 7.816 0.025 1
1 903 . 5 1 1 A 76 76 LYS HA H 76 3.738 2.443 1.295 1
1 912 . 5 1 1 A 76 76 LYS C C 76 170.200 175.394 -5.194 1
1 913 . 5 1 1 A 76 76 LYS CA C 76 55.114 54.477 0.637 1
1 914 . 5 1 1 A 76 76 LYS CB C 76 32.393 32.155 0.238 1
1 918 . 5 1 1 A 76 76 LYS N N 76 114.423 116.294 -1.871 1
1 919 . 5 1 1 A 77 77 GLY H H 77 7.239 7.197 0.042 1
1 920 . 5 1 1 A 77 77 GLY HA2 H 77 3.737 4.007 -0.270 1
1 921 . 5 1 1 A 77 77 GLY HA3 H 77 4.771 4.007 0.764 1
1 922 . 5 1 1 A 77 77 GLY C C 77 170.795 172.328 -1.533 1
1 923 . 5 1 1 A 77 77 GLY CA C 77 43.770 44.012 -0.242 1
1 924 . 5 1 1 A 77 77 GLY N N 77 103.318 107.154 -3.836 1
1 925 . 5 1 1 A 78 78 ALA H H 78 6.868 8.265 -1.397 1
1 926 . 5 1 1 A 78 78 ALA HA H 78 4.982 5.105 -0.123 1
1 930 . 5 1 1 A 78 78 ALA C C 78 171.904 175.736 -3.832 1
1 931 . 5 1 1 A 78 78 ALA CA C 78 49.907 51.276 -1.369 1
1 932 . 5 1 1 A 78 78 ALA CB C 78 22.601 23.290 -0.689 1
1 933 . 5 1 1 A 78 78 ALA N N 78 117.057 120.487 -3.430 1
1 934 . 5 1 1 A 79 79 LYS H H 79 8.765 8.987 -0.222 1
1 935 . 5 1 1 A 79 79 LYS HA H 79 4.636 4.874 -0.238 1
1 944 . 5 1 1 A 79 79 LYS C C 79 171.039 174.025 -2.986 1
1 945 . 5 1 1 A 79 79 LYS CA C 79 54.485 54.495 -0.010 1
1 946 . 5 1 1 A 79 79 LYS CB C 79 35.963 35.931 0.032 1
1 950 . 5 1 1 A 79 79 LYS N N 79 117.018 115.831 1.187 1
1 951 . 5 1 1 A 80 80 LEU H H 80 8.782 8.889 -0.107 1
1 952 . 5 1 1 A 80 80 LEU HA H 80 4.459 4.658 -0.199 1
1 962 . 5 1 1 A 80 80 LEU C C 80 173.095 177.719 -4.624 1
1 963 . 5 1 1 A 80 80 LEU CA C 80 52.743 52.478 0.265 1
1 964 . 5 1 1 A 80 80 LEU CB C 80 42.494 44.654 -2.160 1
1 968 . 5 1 1 A 80 80 LEU N N 80 122.496 121.383 1.113 1
1 969 . 5 1 1 A 81 81 LEU H H 81 8.636 8.576 0.060 1
1 970 . 5 1 1 A 81 81 LEU HA H 81 3.578 3.975 -0.397 1
1 980 . 5 1 1 A 81 81 LEU CA C 81 57.316 58.858 -1.542 1
1 981 . 5 1 1 A 81 81 LEU CB C 81 39.032 42.144 -3.112 1
1 985 . 5 1 1 A 81 81 LEU N N 81 125.060 126.185 -1.125 1
1 986 . 5 1 1 A 82 82 HIS H H 82 8.379 7.666 0.713 1
1 987 . 5 1 1 A 82 82 HIS HA H 82 4.551 4.817 -0.266 1
1 992 . 5 1 1 A 82 82 HIS C C 82 172.635 173.990 -1.355 1
1 993 . 5 1 1 A 82 82 HIS CA C 82 55.432 55.081 0.351 1
1 994 . 5 1 1 A 82 82 HIS CB C 82 29.646 31.750 -2.104 1
1 997 . 5 1 1 A 82 82 HIS N N 82 114.387 111.989 2.398 1
1 998 . 5 1 1 A 83 83 LYS H H 83 8.023 7.417 0.606 1
1 999 . 5 1 1 A 83 83 LYS HA H 83 4.670 4.496 0.174 1
1 1008 . 5 1 1 A 83 83 LYS CA C 83 52.041 52.851 -0.810 1
1 1009 . 5 1 1 A 83 83 LYS CB C 83 32.741 33.896 -1.155 1
1 1013 . 5 1 1 A 83 83 LYS N N 83 122.886 119.142 3.744 1
1 1014 . 5 1 1 A 84 84 PRO HA H 84 4.585 4.654 -0.069 1
1 1021 . 5 1 1 A 84 84 PRO C C 84 172.797 176.128 -3.331 1
1 1022 . 5 1 1 A 84 84 PRO CA C 84 62.050 62.410 -0.360 1
1 1023 . 5 1 1 A 84 84 PRO CB C 84 32.770 32.960 -0.190 1
1 1026 . 5 1 1 A 85 85 ILE H H 85 6.185 8.220 -2.035 1
1 1027 . 5 1 1 A 85 85 ILE HA H 85 5.743 5.275 0.468 1
1 1037 . 5 1 1 A 85 85 ILE C C 85 174.366 174.227 0.139 1
1 1038 . 5 1 1 A 85 85 ILE CA C 85 57.032 58.539 -1.507 1
1 1039 . 5 1 1 A 85 85 ILE CB C 85 41.265 42.117 -0.852 1
1 1043 . 5 1 1 A 85 85 ILE N N 85 107.777 115.767 -7.990 1
1 1044 . 5 1 1 A 86 86 VAL H H 86 7.552 8.698 -1.146 1
1 1045 . 5 1 1 A 86 86 VAL HA H 86 4.278 4.792 -0.514 1
1 1053 . 5 1 1 A 86 86 VAL CA C 86 59.345 58.437 0.908 1
1 1054 . 5 1 1 A 86 86 VAL CB C 86 34.990 35.669 -0.679 1
1 1057 . 5 1 1 A 86 86 VAL N N 86 109.584 116.871 -7.287 1
1 1058 . 5 1 1 A 87 87 TRP H H 87 10.036 8.740 1.296 1
1 1059 . 5 1 1 A 87 87 TRP HA H 87 6.158 5.569 0.589 1
1 1068 . 5 1 1 A 87 87 TRP C C 87 174.393 176.738 -2.345 1
1 1069 . 5 1 1 A 87 87 TRP CA C 87 55.238 55.965 -0.727 1
1 1070 . 5 1 1 A 87 87 TRP CB C 87 32.786 30.438 2.348 1
1 1076 . 5 1 1 A 87 87 TRP N N 87 122.256 123.586 -1.330 1
1 1078 . 5 1 1 A 88 88 HIS H H 88 8.802 9.346 -0.544 1
1 1079 . 5 1 1 A 88 88 HIS HA H 88 5.383 5.528 -0.145 1
1 1085 . 5 1 1 A 88 88 HIS CA C 88 53.902 53.677 0.225 1
1 1086 . 5 1 1 A 88 88 HIS CB C 88 37.553 32.974 4.579 1
1 1089 . 5 1 1 A 88 88 HIS N N 88 116.636 121.096 -4.460 1
1 1090 . 5 1 1 A 89 89 ILE H H 89 9.197 8.399 0.798 1
1 1091 . 5 1 1 A 89 89 ILE HA H 89 4.022 4.335 -0.313 1
1 1101 . 5 1 1 A 89 89 ILE C C 89 174.582 176.182 -1.600 1
1 1102 . 5 1 1 A 89 89 ILE CA C 89 61.042 60.234 0.808 1
1 1103 . 5 1 1 A 89 89 ILE CB C 89 40.176 40.361 -0.185 1
1 1107 . 5 1 1 A 89 89 ILE N N 89 118.669 120.348 -1.679 1
1 1108 . 5 1 1 A 90 90 ASN H H 90 9.688 9.019 0.669 1
1 1109 . 5 1 1 A 90 90 ASN HA H 90 4.281 4.360 -0.079 1
1 1114 . 5 1 1 A 90 90 ASN C C 90 171.418 174.180 -2.762 1
1 1115 . 5 1 1 A 90 90 ASN CA C 90 53.724 53.918 -0.194 1
1 1116 . 5 1 1 A 90 90 ASN CB C 90 36.919 36.107 0.812 1
1 1117 . 5 1 1 A 90 90 ASN N N 90 128.710 125.944 2.766 1
1 1119 . 5 1 1 A 91 91 GLN H H 91 10.928 8.321 2.607 1
1 1120 . 5 1 1 A 91 91 GLN HA H 91 2.586 2.974 -0.388 1
1 1127 . 5 1 1 A 91 91 GLN C C 91 170.146 174.068 -3.922 1
1 1128 . 5 1 1 A 91 91 GLN CA C 91 55.444 56.767 -1.323 1
1 1129 . 5 1 1 A 91 91 GLN CB C 91 23.948 26.155 -2.207 1
1 1131 . 5 1 1 A 91 91 GLN N N 91 112.871 112.347 0.524 1
1 1133 . 5 1 1 A 92 92 ALA H H 92 7.692 7.615 0.077 1
1 1134 . 5 1 1 A 92 92 ALA HA H 92 4.979 5.054 -0.075 1
1 1138 . 5 1 1 A 92 92 ALA C C 92 174.068 175.192 -1.124 1
1 1139 . 5 1 1 A 92 92 ALA CA C 92 49.792 50.620 -0.828 1
1 1140 . 5 1 1 A 92 92 ALA CB C 92 21.832 22.975 -1.143 1
1 1141 . 5 1 1 A 92 92 ALA N N 92 118.287 119.072 -0.785 1
1 1142 . 5 1 1 A 93 93 THR H H 93 9.026 9.045 -0.019 1
1 1143 . 5 1 1 A 93 93 THR HA H 93 5.281 5.329 -0.048 1
1 1148 . 5 1 1 A 93 93 THR C C 93 170.768 173.062 -2.294 1
1 1149 . 5 1 1 A 93 93 THR CA C 93 58.597 60.147 -1.550 1
1 1150 . 5 1 1 A 93 93 THR CB C 93 70.855 72.487 -1.632 1
1 1152 . 5 1 1 A 93 93 THR N N 93 114.894 113.737 1.157 1
1 1153 . 5 1 1 A 94 94 THR H H 94 8.292 8.328 -0.036 1
1 1154 . 5 1 1 A 94 94 THR HA H 94 4.903 4.915 -0.012 1
1 1159 . 5 1 1 A 94 94 THR CA C 94 58.800 59.340 -0.540 1
1 1160 . 5 1 1 A 94 94 THR CB C 94 71.488 71.712 -0.224 1
1 1162 . 5 1 1 A 94 94 THR N N 94 119.907 117.174 2.733 1
1 1163 . 5 1 1 A 95 95 LYS HA H 95 4.056 4.134 -0.078 1
1 1172 . 5 1 1 A 95 95 LYS CA C 95 59.376 59.393 -0.017 1
1 1173 . 5 1 1 A 95 95 LYS CB C 95 31.083 32.172 -1.089 1
1 1177 . 5 1 1 A 96 96 THR H H 96 7.773 7.850 -0.077 1
1 1178 . 5 1 1 A 96 96 THR HA H 96 3.798 4.180 -0.382 1
1 1183 . 5 1 1 A 96 96 THR C C 96 171.850 175.976 -4.126 1
1 1184 . 5 1 1 A 96 96 THR CA C 96 64.506 66.368 -1.862 1
1 1185 . 5 1 1 A 96 96 THR CB C 96 68.405 68.746 -0.341 1
1 1187 . 5 1 1 A 96 96 THR N N 96 113.841 116.178 -2.337 1
1 1188 . 5 1 1 A 97 97 THR H H 97 6.795 8.003 -1.208 1
1 1189 . 5 1 1 A 97 97 THR HA H 97 3.604 4.806 -1.202 1
1 1194 . 5 1 1 A 97 97 THR C C 97 171.959 175.792 -3.833 1
1 1195 . 5 1 1 A 97 97 THR CA C 97 61.209 61.448 -0.239 1
1 1196 . 5 1 1 A 97 97 THR CB C 97 67.962 69.582 -1.620 1
1 1198 . 5 1 1 A 97 97 THR N N 97 105.731 109.271 -3.540 1
1 1199 . 5 1 1 A 98 98 PHE H H 98 7.410 7.947 -0.537 1
1 1200 . 5 1 1 A 98 98 PHE HA H 98 4.220 4.199 0.021 1
1 1207 . 5 1 1 A 98 98 PHE C C 98 174.528 177.374 -2.846 1
1 1208 . 5 1 1 A 98 98 PHE CA C 98 61.879 61.612 0.267 1
1 1209 . 5 1 1 A 98 98 PHE CB C 98 38.875 39.466 -0.591 1
1 1214 . 5 1 1 A 98 98 PHE N N 98 126.402 122.761 3.641 1
1 1215 . 5 1 1 A 99 99 LYS H H 99 9.459 8.319 1.140 1
1 1216 . 5 1 1 A 99 99 LYS HA H 99 4.089 3.474 0.615 1
1 1225 . 5 1 1 A 99 99 LYS CA C 99 60.763 61.219 -0.456 1
1 1226 . 5 1 1 A 99 99 LYS CB C 99 28.635 31.125 -2.490 1
1 1230 . 5 1 1 A 99 99 LYS N N 99 121.490 117.916 3.574 1
1 1231 . 5 1 1 A 100 100 PRO HA H 100 4.922 4.643 0.279 1
1 1238 . 5 1 1 A 100 100 PRO C C 100 177.314 179.165 -1.851 1
1 1239 . 5 1 1 A 100 100 PRO CA C 100 66.173 65.355 0.818 1
1 1240 . 5 1 1 A 100 100 PRO CB C 100 31.535 30.970 0.565 1
1 1243 . 5 1 1 A 101 101 ASN H H 101 8.530 8.299 0.231 1
1 1244 . 5 1 1 A 101 101 ASN HA H 101 5.244 4.500 0.744 1
1 1249 . 5 1 1 A 101 101 ASN C C 101 175.204 177.799 -2.595 1
1 1250 . 5 1 1 A 101 101 ASN CA C 101 54.555 56.086 -1.531 1
1 1251 . 5 1 1 A 101 101 ASN CB C 101 36.187 37.979 -1.792 1
1 1252 . 5 1 1 A 101 101 ASN N N 101 115.238 115.866 -0.628 1
1 1254 . 5 1 1 A 102 102 THR H H 102 8.488 7.937 0.551 1
1 1255 . 5 1 1 A 102 102 THR HA H 102 4.184 3.986 0.198 1
1 1260 . 5 1 1 A 102 102 THR C C 102 171.472 177.097 -5.625 1
1 1261 . 5 1 1 A 102 102 THR CA C 102 67.543 65.358 2.185 1
1 1262 . 5 1 1 A 102 102 THR CB C 102 67.001 68.129 -1.128 1
1 1264 . 5 1 1 A 102 102 THR N N 102 120.254 111.849 8.405 1
1 1265 . 5 1 1 A 103 103 TRP H H 103 7.283 7.525 -0.242 1
1 1266 . 5 1 1 A 103 103 TRP HA H 103 3.986 4.312 -0.326 1
1 1275 . 5 1 1 A 103 103 TRP C C 103 175.800 178.578 -2.778 1
1 1276 . 5 1 1 A 103 103 TRP CA C 103 60.856 59.507 1.349 1
1 1277 . 5 1 1 A 103 103 TRP CB C 103 27.948 29.295 -1.347 1
1 1283 . 5 1 1 A 103 103 TRP N N 103 121.763 121.380 0.383 1
1 1285 . 5 1 1 A 104 104 CYS H H 104 8.233 8.067 0.166 1
1 1286 . 5 1 1 A 104 104 CYS HA H 104 4.272 4.067 0.205 1
1 1289 . 5 1 1 A 104 104 CYS C C 104 176.259 176.952 -0.693 1
1 1290 . 5 1 1 A 104 104 CYS CA C 104 65.226 62.323 2.903 1
1 1291 . 5 1 1 A 104 104 CYS CB C 104 26.949 26.991 -0.042 1
1 1292 . 5 1 1 A 104 104 CYS N N 104 118.046 119.115 -1.069 1
1 1293 . 5 1 1 A 105 105 LEU H H 105 8.726 7.966 0.760 1
1 1294 . 5 1 1 A 105 105 LEU HA H 105 4.000 3.937 0.063 1
1 1304 . 5 1 1 A 105 105 LEU C C 105 176.205 178.968 -2.763 1
1 1305 . 5 1 1 A 105 105 LEU CA C 105 57.810 58.061 -0.251 1
1 1306 . 5 1 1 A 105 105 LEU CB C 105 40.484 41.065 -0.581 1
1 1310 . 5 1 1 A 105 105 LEU N N 105 120.557 121.212 -0.655 1
1 1311 . 5 1 1 A 106 106 ARG H H 106 6.990 7.937 -0.947 1
1 1312 . 5 1 1 A 106 106 ARG HA H 106 2.054 2.600 -0.546 1
1 1319 . 5 1 1 A 106 106 ARG C C 106 177.179 178.070 -0.891 1
1 1320 . 5 1 1 A 106 106 ARG CA C 106 57.405 58.343 -0.938 1
1 1321 . 5 1 1 A 106 106 ARG CB C 106 29.269 29.298 -0.029 1
1 1324 . 5 1 1 A 106 106 ARG N N 106 118.050 117.804 0.246 1
1 1325 . 5 1 1 A 107 107 CYS H H 107 7.623 7.682 -0.059 1
1 1326 . 5 1 1 A 107 107 CYS HA H 107 4.031 4.297 -0.266 1
1 1329 . 5 1 1 A 107 107 CYS C C 107 172.337 176.672 -4.335 1
1 1330 . 5 1 1 A 107 107 CYS CA C 107 63.291 61.744 1.547 1
1 1331 . 5 1 1 A 107 107 CYS CB C 107 26.214 27.467 -1.253 1
1 1332 . 5 1 1 A 107 107 CYS N N 107 117.028 118.960 -1.932 1
1 1333 . 5 1 1 A 108 108 LEU H H 108 7.484 7.526 -0.042 1
1 1334 . 5 1 1 A 108 108 LEU HA H 108 4.159 4.278 -0.119 1
1 1344 . 5 1 1 A 108 108 LEU C C 108 174.582 177.451 -2.869 1
1 1345 . 5 1 1 A 108 108 LEU CA C 108 54.203 55.418 -1.215 1
1 1346 . 5 1 1 A 108 108 LEU CB C 108 41.621 42.562 -0.941 1
1 1350 . 5 1 1 A 108 108 LEU N N 108 117.680 117.805 -0.125 1
1 1351 . 5 1 1 A 109 109 TRP H H 109 7.427 7.809 -0.382 1
1 1352 . 5 1 1 A 109 109 TRP HA H 109 4.828 5.065 -0.237 1
1 1361 . 5 1 1 A 109 109 TRP C C 109 173.176 176.271 -3.095 1
1 1362 . 5 1 1 A 109 109 TRP CA C 109 56.353 58.087 -1.734 1
1 1363 . 5 1 1 A 109 109 TRP CB C 109 29.743 30.231 -0.488 1
1 1369 . 5 1 1 A 109 109 TRP N N 109 119.087 120.952 -1.865 1
1 1371 . 5 1 1 A 110 110 SER H H 110 8.199 9.044 -0.845 1
1 1372 . 5 1 1 A 110 110 SER HA H 110 4.688 5.024 -0.336 1
1 1375 . 5 1 1 A 110 110 SER C C 110 171.769 173.948 -2.179 1
1 1376 . 5 1 1 A 110 110 SER CA C 110 56.324 56.613 -0.289 1
1 1377 . 5 1 1 A 110 110 SER CB C 110 64.513 64.825 -0.312 1
1 1378 . 5 1 1 A 110 110 SER N N 110 115.602 117.662 -2.060 1
1 1379 . 5 1 1 A 111 111 THR H H 111 8.268 8.597 -0.329 1
1 1380 . 5 1 1 A 111 111 THR HA H 111 4.425 4.485 -0.060 1
1 1385 . 5 1 1 A 111 111 THR C C 111 171.526 174.581 -3.055 1
1 1386 . 5 1 1 A 111 111 THR CA C 111 60.861 62.380 -1.519 1
1 1387 . 5 1 1 A 111 111 THR CB C 111 69.202 69.955 -0.753 1
1 1389 . 5 1 1 A 111 111 THR N N 111 114.394 119.009 -4.615 1
1 1390 . 5 1 1 A 112 112 LYS H H 112 8.240 8.139 0.101 1
1 1391 . 5 1 1 A 112 112 LYS HA H 112 4.530 4.287 0.243 1
1 1400 . 5 1 1 A 112 112 LYS CA C 112 53.768 54.693 -0.925 1
1 1401 . 5 1 1 A 112 112 LYS CB C 112 32.067 33.383 -1.316 1
1 1405 . 5 1 1 A 112 112 LYS N N 112 125.207 123.954 1.253 1
1 1406 . 5 1 1 A 113 113 PRO HA H 113 4.380 4.584 -0.204 1
1 1413 . 5 1 1 A 113 113 PRO C C 113 174.095 176.450 -2.355 1
1 1414 . 5 1 1 A 113 113 PRO CA C 113 62.381 63.099 -0.718 1
1 1415 . 5 1 1 A 113 113 PRO CB C 113 31.408 32.483 -1.075 1
1 1418 . 5 1 1 A 114 114 VAL H H 114 8.195 8.266 -0.071 1
1 1419 . 5 1 1 A 114 114 VAL HA H 114 4.029 4.262 -0.233 1
1 1427 . 5 1 1 A 114 114 VAL C C 114 173.122 176.970 -3.848 1
1 1428 . 5 1 1 A 114 114 VAL CA C 114 61.335 61.758 -0.423 1
1 1429 . 5 1 1 A 114 114 VAL CB C 114 32.153 32.066 0.087 1
1 1432 . 5 1 1 A 114 114 VAL N N 114 120.113 120.282 -0.169 1
1 1433 . 5 1 1 A 115 115 ASP H H 115 8.345 7.914 0.431 1
1 1434 . 5 1 1 A 115 115 ASP HA H 115 4.592 4.411 0.181 1
1 1437 . 5 1 1 A 115 115 ASP C C 115 172.608 175.951 -3.343 1
1 1438 . 5 1 1 A 115 115 ASP CA C 115 53.202 57.070 -3.868 1
1 1439 . 5 1 1 A 115 115 ASP CB C 115 40.552 41.490 -0.938 1
1 1440 . 5 1 1 A 115 115 ASP N N 115 123.853 122.546 1.307 1
1 1 . 6 1 1 A 2 2 TYR HA H 2 4.617 4.650 -0.033 1
1 7 . 6 1 1 A 2 2 TYR C C 2 172.716 175.595 -2.879 1
1 8 . 6 1 1 A 2 2 TYR CA C 2 56.943 59.116 -2.173 1
1 9 . 6 1 1 A 2 2 TYR CB C 2 38.050 39.605 -1.555 1
1 14 . 6 1 1 A 2 2 TYR N N 2 121.461 125.774 -4.313 1
1 15 . 6 1 1 A 3 3 THR H H 3 7.984 8.260 -0.276 1
1 16 . 6 1 1 A 3 3 THR HA H 3 4.684 4.356 0.328 1
1 21 . 6 1 1 A 3 3 THR C C 3 170.931 173.888 -2.957 1
1 22 . 6 1 1 A 3 3 THR CA C 3 60.870 60.758 0.112 1
1 23 . 6 1 1 A 3 3 THR CB C 3 69.270 70.110 -0.840 1
1 25 . 6 1 1 A 3 3 THR N N 3 117.624 122.752 -5.128 1
1 26 . 6 1 1 A 4 4 GLU H H 4 8.290 6.711 1.579 1
1 27 . 6 1 1 A 4 4 GLU HA H 4 4.183 4.368 -0.185 1
1 32 . 6 1 1 A 4 4 GLU C C 4 173.013 175.002 -1.989 1
1 33 . 6 1 1 A 4 4 GLU CA C 4 55.876 56.818 -0.942 1
1 34 . 6 1 1 A 4 4 GLU CB C 4 29.779 29.196 0.583 1
1 36 . 6 1 1 A 4 4 GLU N N 4 123.377 120.329 3.048 1
1 37 . 6 1 1 A 5 5 GLN H H 5 8.329 8.402 -0.073 1
1 38 . 6 1 1 A 5 5 GLN HA H 5 4.392 4.528 -0.136 1
1 43 . 6 1 1 A 5 5 GLN CA C 5 52.634 54.402 -1.768 1
1 44 . 6 1 1 A 5 5 GLN CB C 5 28.759 27.486 1.273 1
1 46 . 6 1 1 A 5 5 GLN N N 5 122.599 121.736 0.863 1
1 47 . 6 1 1 A 6 6 PRO HA H 6 4.323 3.829 0.494 1
1 54 . 6 1 1 A 6 6 PRO C C 6 173.636 175.940 -2.304 1
1 55 . 6 1 1 A 6 6 PRO CA C 6 62.080 62.045 0.035 1
1 56 . 6 1 1 A 6 6 PRO CB C 6 30.785 31.855 -1.070 1
1 59 . 6 1 1 A 7 7 ILE H H 7 8.160 8.025 0.135 1
1 60 . 6 1 1 A 7 7 ILE HA H 7 3.871 3.972 -0.101 1
1 70 . 6 1 1 A 7 7 ILE C C 7 172.770 176.156 -3.386 1
1 71 . 6 1 1 A 7 7 ILE CA C 7 60.589 60.737 -0.148 1
1 72 . 6 1 1 A 7 7 ILE CB C 7 38.318 36.748 1.570 1
1 76 . 6 1 1 A 7 7 ILE N N 7 121.913 121.366 0.547 1
1 77 . 6 1 1 A 8 8 ASP H H 8 8.126 8.663 -0.537 1
1 78 . 6 1 1 A 8 8 ASP HA H 8 4.584 4.099 0.485 1
1 81 . 6 1 1 A 8 8 ASP C C 8 171.742 174.861 -3.119 1
1 82 . 6 1 1 A 8 8 ASP CA C 8 53.265 55.478 -2.213 1
1 83 . 6 1 1 A 8 8 ASP CB C 8 39.521 39.803 -0.282 1
1 84 . 6 1 1 A 8 8 ASP N N 8 124.858 126.076 -1.218 1
1 85 . 6 1 1 A 9 9 LEU H H 9 7.374 7.835 -0.461 1
1 86 . 6 1 1 A 9 9 LEU HA H 9 4.506 4.395 0.111 1
1 96 . 6 1 1 A 9 9 LEU C C 9 174.041 175.839 -1.798 1
1 97 . 6 1 1 A 9 9 LEU CA C 9 53.779 54.760 -0.981 1
1 98 . 6 1 1 A 9 9 LEU CB C 9 43.411 42.812 0.599 1
1 102 . 6 1 1 A 9 9 LEU N N 9 122.151 120.561 1.590 1
1 103 . 6 1 1 A 10 10 VAL H H 10 8.827 8.538 0.289 1
1 104 . 6 1 1 A 10 10 VAL HA H 10 4.841 5.001 -0.160 1
1 112 . 6 1 1 A 10 10 VAL CA C 10 57.706 58.199 -0.493 1
1 113 . 6 1 1 A 10 10 VAL CB C 10 33.895 34.690 -0.795 1
1 116 . 6 1 1 A 10 10 VAL N N 10 120.738 118.991 1.747 1
1 117 . 6 1 1 A 11 11 PRO HA H 11 4.766 4.880 -0.114 1
1 124 . 6 1 1 A 11 11 PRO C C 11 173.149 175.165 -2.016 1
1 125 . 6 1 1 A 11 11 PRO CA C 11 62.417 62.839 -0.422 1
1 126 . 6 1 1 A 11 11 PRO CB C 11 32.119 33.350 -1.231 1
1 129 . 6 1 1 A 12 12 THR H H 12 7.408 8.699 -1.291 1
1 130 . 6 1 1 A 12 12 THR HA H 12 4.280 4.733 -0.453 1
1 135 . 6 1 1 A 12 12 THR C C 12 166.981 172.647 -5.666 1
1 136 . 6 1 1 A 12 12 THR CA C 12 59.142 59.869 -0.727 1
1 137 . 6 1 1 A 12 12 THR CB C 12 68.812 69.886 -1.074 1
1 139 . 6 1 1 A 12 12 THR N N 12 115.177 116.120 -0.943 1
1 140 . 6 1 1 A 13 13 GLN H H 13 7.953 8.709 -0.756 1
1 141 . 6 1 1 A 13 13 GLN HA H 13 5.073 4.958 0.115 1
1 146 . 6 1 1 A 13 13 GLN CA C 13 52.836 53.245 -0.409 1
1 147 . 6 1 1 A 13 13 GLN CB C 13 28.566 32.057 -3.491 1
1 149 . 6 1 1 A 13 13 GLN N N 13 113.324 119.498 -6.174 1
1 150 . 6 1 1 A 14 14 PRO HA H 14 4.340 4.463 -0.123 1
1 157 . 6 1 1 A 14 14 PRO C C 14 173.392 176.570 -3.178 1
1 158 . 6 1 1 A 14 14 PRO CA C 14 62.498 62.459 0.039 1
1 159 . 6 1 1 A 14 14 PRO CB C 14 31.565 32.127 -0.562 1
1 162 . 6 1 1 A 15 15 LEU H H 15 8.764 8.298 0.466 1
1 163 . 6 1 1 A 15 15 LEU HA H 15 4.511 4.392 0.119 1
1 173 . 6 1 1 A 15 15 LEU CA C 15 52.597 53.690 -1.093 1
1 174 . 6 1 1 A 15 15 LEU CB C 15 40.769 41.423 -0.654 1
1 178 . 6 1 1 A 15 15 LEU N N 15 124.665 124.178 0.487 1
1 179 . 6 1 1 A 16 16 PRO HA H 16 4.325 4.318 0.007 1
1 186 . 6 1 1 A 16 16 PRO CA C 16 63.358 63.755 -0.397 1
1 187 . 6 1 1 A 16 16 PRO CB C 16 31.187 31.849 -0.662 1
1 190 . 6 1 1 A 17 17 ASN H H 17 8.682 8.993 -0.311 1
1 191 . 6 1 1 A 17 17 ASN HA H 17 4.586 4.474 0.112 1
1 196 . 6 1 1 A 17 17 ASN C C 17 174.691 175.146 -0.455 1
1 197 . 6 1 1 A 17 17 ASN CA C 17 52.745 55.783 -3.038 1
1 198 . 6 1 1 A 17 17 ASN CB C 17 36.762 36.663 0.099 1
1 199 . 6 1 1 A 17 17 ASN N N 17 114.315 114.431 -0.116 1
1 201 . 6 1 1 A 18 18 ALA H H 18 7.283 8.548 -1.265 1
1 202 . 6 1 1 A 18 18 ALA HA H 18 4.569 4.227 0.342 1
1 206 . 6 1 1 A 18 18 ALA C C 18 174.041 176.939 -2.898 1
1 207 . 6 1 1 A 18 18 ALA CA C 18 51.618 54.233 -2.615 1
1 208 . 6 1 1 A 18 18 ALA CB C 18 20.698 18.398 2.300 1
1 209 . 6 1 1 A 18 18 ALA N N 18 121.620 121.685 -0.065 1
1 210 . 6 1 1 A 19 19 SER H H 19 8.744 9.104 -0.360 1
1 211 . 6 1 1 A 19 19 SER HA H 19 4.479 5.065 -0.586 1
1 214 . 6 1 1 A 19 19 SER C C 19 169.984 172.679 -2.695 1
1 215 . 6 1 1 A 19 19 SER CA C 19 56.634 57.712 -1.078 1
1 216 . 6 1 1 A 19 19 SER CB C 19 65.044 65.859 -0.815 1
1 217 . 6 1 1 A 19 19 SER N N 19 113.995 112.734 1.261 1
1 218 . 6 1 1 A 20 20 PHE H H 20 7.753 8.431 -0.678 1
1 219 . 6 1 1 A 20 20 PHE HA H 20 3.514 4.346 -0.832 1
1 226 . 6 1 1 A 20 20 PHE C C 20 172.635 174.539 -1.904 1
1 227 . 6 1 1 A 20 20 PHE CA C 20 58.070 57.603 0.467 1
1 228 . 6 1 1 A 20 20 PHE CB C 20 37.588 38.447 -0.859 1
1 233 . 6 1 1 A 20 20 PHE N N 20 124.690 126.822 -2.132 1
1 234 . 6 1 1 A 21 21 ASP H H 21 8.288 8.928 -0.640 1
1 235 . 6 1 1 A 21 21 ASP HA H 21 4.351 4.680 -0.329 1
1 238 . 6 1 1 A 21 21 ASP CA C 21 51.826 52.724 -0.898 1
1 239 . 6 1 1 A 21 21 ASP CB C 21 38.598 41.519 -2.921 1
1 240 . 6 1 1 A 21 21 ASP N N 21 127.080 126.315 0.765 1
1 241 . 6 1 1 A 22 22 ASN HA H 22 3.766 4.618 -0.852 1
1 246 . 6 1 1 A 22 22 ASN C C 22 171.688 174.800 -3.112 1
1 247 . 6 1 1 A 22 22 ASN CA C 22 54.954 53.020 1.934 1
1 248 . 6 1 1 A 22 22 ASN CB C 22 37.641 38.806 -1.165 1
1 250 . 6 1 1 A 23 23 PHE H H 23 5.484 7.725 -2.241 1
1 251 . 6 1 1 A 23 23 PHE HA H 23 4.804 4.648 0.156 1
1 259 . 6 1 1 A 23 23 PHE C C 23 169.768 174.754 -4.986 1
1 260 . 6 1 1 A 23 23 PHE CA C 23 54.649 57.019 -2.370 1
1 261 . 6 1 1 A 23 23 PHE CB C 23 39.850 39.645 0.205 1
1 267 . 6 1 1 A 23 23 PHE N N 23 112.858 117.765 -4.907 1
1 268 . 6 1 1 A 24 24 LYS H H 24 8.329 8.432 -0.103 1
1 269 . 6 1 1 A 24 24 LYS HA H 24 3.719 4.505 -0.786 1
1 278 . 6 1 1 A 24 24 LYS C C 24 171.959 175.235 -3.276 1
1 279 . 6 1 1 A 24 24 LYS CA C 24 53.756 53.932 -0.176 1
1 280 . 6 1 1 A 24 24 LYS CB C 24 36.279 35.656 0.623 1
1 284 . 6 1 1 A 24 24 LYS N N 24 119.724 120.346 -0.622 1
1 285 . 6 1 1 A 25 25 LEU H H 25 9.144 7.723 1.421 1
1 286 . 6 1 1 A 25 25 LEU HA H 25 5.462 4.641 0.821 1
1 296 . 6 1 1 A 25 25 LEU C C 25 174.609 176.065 -1.456 1
1 297 . 6 1 1 A 25 25 LEU CA C 25 53.208 54.204 -0.996 1
1 298 . 6 1 1 A 25 25 LEU CB C 25 41.419 42.602 -1.183 1
1 302 . 6 1 1 A 25 25 LEU N N 25 126.849 126.460 0.389 1
1 303 . 6 1 1 A 26 26 THR H H 26 8.956 8.571 0.385 1
1 304 . 6 1 1 A 26 26 THR HA H 26 4.471 5.197 -0.726 1
1 309 . 6 1 1 A 26 26 THR C C 26 169.524 173.026 -3.502 1
1 310 . 6 1 1 A 26 26 THR CA C 26 58.769 59.859 -1.090 1
1 311 . 6 1 1 A 26 26 THR CB C 26 69.971 72.491 -2.520 1
1 313 . 6 1 1 A 26 26 THR N N 26 113.907 112.559 1.348 1
1 314 . 6 1 1 A 27 27 CYS H H 27 8.507 8.625 -0.118 1
1 315 . 6 1 1 A 27 27 CYS HA H 27 4.509 4.858 -0.349 1
1 318 . 6 1 1 A 27 27 CYS C C 27 169.984 174.078 -4.094 1
1 319 . 6 1 1 A 27 27 CYS CA C 27 57.948 57.914 0.034 1
1 320 . 6 1 1 A 27 27 CYS CB C 27 29.529 30.682 -1.153 1
1 321 . 6 1 1 A 27 27 CYS N N 27 120.842 119.140 1.702 1
1 322 . 6 1 1 A 28 28 SER H H 28 9.044 8.777 0.267 1
1 323 . 6 1 1 A 28 28 SER HA H 28 4.140 4.248 -0.108 1
1 326 . 6 1 1 A 28 28 SER C C 28 172.716 174.502 -1.786 1
1 327 . 6 1 1 A 28 28 SER CA C 28 60.986 61.813 -0.827 1
1 328 . 6 1 1 A 28 28 SER CB C 28 61.437 62.742 -1.305 1
1 329 . 6 1 1 A 28 28 SER N N 28 124.898 118.201 6.697 1
1 330 . 6 1 1 A 29 29 ASN H H 29 7.825 7.655 0.170 1
1 331 . 6 1 1 A 29 29 ASN HA H 29 4.951 4.785 0.166 1
1 336 . 6 1 1 A 29 29 ASN C C 29 171.688 175.828 -4.140 1
1 337 . 6 1 1 A 29 29 ASN CA C 29 52.155 52.755 -0.600 1
1 338 . 6 1 1 A 29 29 ASN CB C 29 36.980 38.991 -2.011 1
1 339 . 6 1 1 A 29 29 ASN N N 29 121.001 119.576 1.425 1
1 341 . 6 1 1 A 30 30 THR H H 30 8.062 8.700 -0.638 1
1 342 . 6 1 1 A 30 30 THR HA H 30 3.901 4.014 -0.113 1
1 347 . 6 1 1 A 30 30 THR C C 30 173.338 176.650 -3.312 1
1 348 . 6 1 1 A 30 30 THR CA C 30 64.874 66.032 -1.158 1
1 349 . 6 1 1 A 30 30 THR CB C 30 67.715 68.850 -1.135 1
1 351 . 6 1 1 A 30 30 THR N N 30 119.799 119.045 0.754 1
1 352 . 6 1 1 A 31 31 LYS H H 31 8.015 8.189 -0.174 1
1 353 . 6 1 1 A 31 31 LYS HA H 31 4.119 4.038 0.081 1
1 362 . 6 1 1 A 31 31 LYS C C 31 174.231 178.618 -4.387 1
1 363 . 6 1 1 A 31 31 LYS CA C 31 58.286 59.672 -1.386 1
1 364 . 6 1 1 A 31 31 LYS CB C 31 31.547 32.628 -1.081 1
1 368 . 6 1 1 A 31 31 LYS N N 31 122.845 122.226 0.619 1
1 369 . 6 1 1 A 32 32 PHE H H 32 7.739 8.871 -1.132 1
1 370 . 6 1 1 A 32 32 PHE HA H 32 4.652 4.230 0.422 1
1 378 . 6 1 1 A 32 32 PHE C C 32 174.691 177.210 -2.519 1
1 379 . 6 1 1 A 32 32 PHE CA C 32 59.954 61.888 -1.934 1
1 380 . 6 1 1 A 32 32 PHE CB C 32 38.444 39.399 -0.955 1
1 386 . 6 1 1 A 32 32 PHE N N 32 120.100 120.757 -0.657 1
1 387 . 6 1 1 A 33 33 ALA H H 33 6.955 8.140 -1.185 1
1 388 . 6 1 1 A 33 33 ALA HA H 33 3.555 4.003 -0.448 1
1 392 . 6 1 1 A 33 33 ALA C C 33 175.502 179.638 -4.136 1
1 393 . 6 1 1 A 33 33 ALA CA C 33 54.703 54.970 -0.267 1
1 394 . 6 1 1 A 33 33 ALA CB C 33 17.085 18.006 -0.921 1
1 395 . 6 1 1 A 33 33 ALA N N 33 116.140 120.814 -4.674 1
1 396 . 6 1 1 A 34 34 ASP H H 34 8.795 8.451 0.344 1
1 397 . 6 1 1 A 34 34 ASP HA H 34 4.367 4.325 0.042 1
1 400 . 6 1 1 A 34 34 ASP C C 34 176.854 178.288 -1.434 1
1 401 . 6 1 1 A 34 34 ASP CA C 34 56.911 57.338 -0.427 1
1 402 . 6 1 1 A 34 34 ASP CB C 34 39.495 41.126 -1.631 1
1 403 . 6 1 1 A 34 34 ASP N N 34 118.170 118.629 -0.459 1
1 404 . 6 1 1 A 35 35 ASP H H 35 8.791 8.540 0.251 1
1 405 . 6 1 1 A 35 35 ASP HA H 35 4.360 4.431 -0.071 1
1 408 . 6 1 1 A 35 35 ASP C C 35 177.233 179.123 -1.890 1
1 409 . 6 1 1 A 35 35 ASP CA C 35 56.890 57.388 -0.498 1
1 410 . 6 1 1 A 35 35 ASP CB C 35 39.291 40.553 -1.262 1
1 411 . 6 1 1 A 35 35 ASP N N 35 121.921 119.180 2.741 1
1 412 . 6 1 1 A 36 36 LEU H H 36 7.792 8.068 -0.276 1
1 413 . 6 1 1 A 36 36 LEU HA H 36 4.162 3.953 0.209 1
1 423 . 6 1 1 A 36 36 LEU C C 36 176.097 179.237 -3.140 1
1 424 . 6 1 1 A 36 36 LEU CA C 36 57.508 58.001 -0.493 1
1 425 . 6 1 1 A 36 36 LEU CB C 36 41.523 41.408 0.115 1
1 429 . 6 1 1 A 36 36 LEU N N 36 121.822 120.978 0.844 1
1 430 . 6 1 1 A 37 37 ASN H H 37 9.015 8.616 0.399 1
1 431 . 6 1 1 A 37 37 ASN HA H 37 4.733 4.395 0.338 1
1 436 . 6 1 1 A 37 37 ASN C C 37 176.232 178.561 -2.329 1
1 437 . 6 1 1 A 37 37 ASN CA C 37 54.288 56.510 -2.222 1
1 438 . 6 1 1 A 37 37 ASN CB C 37 37.337 37.840 -0.503 1
1 439 . 6 1 1 A 37 37 ASN N N 37 116.904 118.249 -1.345 1
1 441 . 6 1 1 A 38 38 GLN H H 38 8.218 7.771 0.447 1
1 442 . 6 1 1 A 38 38 GLN HA H 38 4.074 4.134 -0.060 1
1 447 . 6 1 1 A 38 38 GLN C C 38 175.773 178.928 -3.155 1
1 448 . 6 1 1 A 38 38 GLN CA C 38 58.134 58.956 -0.822 1
1 449 . 6 1 1 A 38 38 GLN CB C 38 27.676 28.518 -0.842 1
1 451 . 6 1 1 A 38 38 GLN N N 38 121.443 120.154 1.289 1
1 452 . 6 1 1 A 39 39 MET H H 39 7.487 7.958 -0.471 1
1 453 . 6 1 1 A 39 39 MET HA H 39 3.967 4.322 -0.355 1
1 461 . 6 1 1 A 39 39 MET C C 39 176.259 178.265 -2.006 1
1 462 . 6 1 1 A 39 39 MET CA C 39 58.374 57.956 0.418 1
1 463 . 6 1 1 A 39 39 MET CB C 39 33.000 34.116 -1.116 1
1 466 . 6 1 1 A 39 39 MET N N 39 118.793 118.563 0.230 1
1 467 . 6 1 1 A 40 40 THR H H 40 7.873 7.451 0.422 1
1 468 . 6 1 1 A 40 40 THR HA H 40 3.769 4.265 -0.496 1
1 473 . 6 1 1 A 40 40 THR C C 40 173.906 174.577 -0.671 1
1 474 . 6 1 1 A 40 40 THR CA C 40 61.739 63.130 -1.391 1
1 475 . 6 1 1 A 40 40 THR CB C 40 68.427 68.967 -0.540 1
1 477 . 6 1 1 A 40 40 THR N N 40 108.945 112.731 -3.786 1
1 478 . 6 1 1 A 41 41 GLY H H 41 7.199 7.750 -0.551 1
1 479 . 6 1 1 A 41 41 GLY HA2 H 41 3.899 3.944 -0.045 1
1 480 . 6 1 1 A 41 41 GLY HA3 H 41 3.662 3.972 -0.310 1
1 481 . 6 1 1 A 41 41 GLY C C 41 171.661 174.522 -2.861 1
1 482 . 6 1 1 A 41 41 GLY CA C 41 44.926 45.613 -0.687 1
1 483 . 6 1 1 A 41 41 GLY N N 41 106.430 109.905 -3.475 1
1 484 . 6 1 1 A 42 42 PHE H H 42 7.876 8.109 -0.233 1
1 485 . 6 1 1 A 42 42 PHE HA H 42 4.682 4.608 0.074 1
1 493 . 6 1 1 A 42 42 PHE C C 42 171.499 174.739 -3.240 1
1 494 . 6 1 1 A 42 42 PHE CA C 42 57.793 59.421 -1.628 1
1 495 . 6 1 1 A 42 42 PHE CB C 42 39.422 40.014 -0.592 1
1 501 . 6 1 1 A 42 42 PHE N N 42 122.221 121.881 0.340 1
1 502 . 6 1 1 A 43 43 THR H H 43 8.418 8.281 0.137 1
1 503 . 6 1 1 A 43 43 THR HA H 43 3.665 4.084 -0.419 1
1 508 . 6 1 1 A 43 43 THR C C 43 168.767 172.863 -4.096 1
1 509 . 6 1 1 A 43 43 THR CA C 43 59.002 60.105 -1.103 1
1 510 . 6 1 1 A 43 43 THR CB C 43 70.919 72.240 -1.321 1
1 512 . 6 1 1 A 43 43 THR N N 43 123.470 122.127 1.343 1
1 513 . 6 1 1 A 44 44 LYS H H 44 7.999 8.036 -0.037 1
1 514 . 6 1 1 A 44 44 LYS HA H 44 3.924 4.638 -0.714 1
1 523 . 6 1 1 A 44 44 LYS CA C 44 54.785 54.380 0.405 1
1 524 . 6 1 1 A 44 44 LYS CB C 44 31.047 31.363 -0.316 1
1 528 . 6 1 1 A 44 44 LYS N N 44 124.728 123.830 0.898 1
1 529 . 6 1 1 A 45 45 PRO HA H 45 4.581 4.503 0.078 1
1 536 . 6 1 1 A 45 45 PRO C C 45 172.770 177.086 -4.316 1
1 537 . 6 1 1 A 45 45 PRO CA C 45 60.970 62.701 -1.731 1
1 538 . 6 1 1 A 45 45 PRO CB C 45 33.754 32.397 1.357 1
1 541 . 6 1 1 A 46 46 ALA H H 46 8.715 8.500 0.215 1
1 542 . 6 1 1 A 46 46 ALA HA H 46 4.674 4.765 -0.091 1
1 546 . 6 1 1 A 46 46 ALA C C 46 175.827 178.533 -2.706 1
1 547 . 6 1 1 A 46 46 ALA CA C 46 50.851 53.127 -2.276 1
1 548 . 6 1 1 A 46 46 ALA CB C 46 20.458 19.337 1.121 1
1 549 . 6 1 1 A 46 46 ALA N N 46 123.249 125.257 -2.008 1
1 550 . 6 1 1 A 47 47 SER H H 47 8.518 9.096 -0.578 1
1 551 . 6 1 1 A 47 47 SER HA H 47 4.202 4.402 -0.200 1
1 554 . 6 1 1 A 47 47 SER C C 47 171.769 174.331 -2.562 1
1 555 . 6 1 1 A 47 47 SER CA C 47 58.740 60.181 -1.441 1
1 556 . 6 1 1 A 47 47 SER CB C 47 62.419 64.043 -1.624 1
1 557 . 6 1 1 A 47 47 SER N N 47 117.696 117.277 0.419 1
1 558 . 6 1 1 A 48 48 ARG H H 48 7.276 7.724 -0.448 1
1 559 . 6 1 1 A 48 48 ARG HA H 48 4.466 4.727 -0.261 1
1 566 . 6 1 1 A 48 48 ARG C C 48 170.417 173.444 -3.027 1
1 567 . 6 1 1 A 48 48 ARG CA C 48 54.164 54.706 -0.542 1
1 568 . 6 1 1 A 48 48 ARG CB C 48 29.775 32.882 -3.107 1
1 571 . 6 1 1 A 48 48 ARG N N 48 115.830 117.606 -1.776 1
1 572 . 6 1 1 A 49 49 GLU H H 49 8.681 8.508 0.173 1
1 573 . 6 1 1 A 49 49 GLU HA H 49 5.373 5.290 0.083 1
1 578 . 6 1 1 A 49 49 GLU C C 49 172.716 175.167 -2.451 1
1 579 . 6 1 1 A 49 49 GLU CA C 49 53.744 54.693 -0.949 1
1 580 . 6 1 1 A 49 49 GLU CB C 49 32.057 33.267 -1.210 1
1 582 . 6 1 1 A 49 49 GLU N N 49 119.800 119.027 0.773 1
1 583 . 6 1 1 A 50 50 LEU H H 50 8.720 9.072 -0.352 1
1 584 . 6 1 1 A 50 50 LEU HA H 50 4.821 5.133 -0.312 1
1 594 . 6 1 1 A 50 50 LEU C C 50 171.932 175.700 -3.768 1
1 595 . 6 1 1 A 50 50 LEU CA C 50 52.447 53.365 -0.918 1
1 596 . 6 1 1 A 50 50 LEU CB C 50 44.748 45.829 -1.081 1
1 600 . 6 1 1 A 50 50 LEU N N 50 124.747 123.046 1.701 1
1 601 . 6 1 1 A 51 51 SER H H 51 9.560 8.905 0.655 1
1 602 . 6 1 1 A 51 51 SER HA H 51 4.881 5.362 -0.481 1
1 605 . 6 1 1 A 51 51 SER C C 51 171.769 171.976 -0.207 1
1 606 . 6 1 1 A 51 51 SER CA C 51 55.707 56.647 -0.940 1
1 607 . 6 1 1 A 51 51 SER CB C 51 64.701 66.292 -1.591 1
1 608 . 6 1 1 A 51 51 SER N N 51 119.156 115.005 4.151 1
1 609 . 6 1 1 A 52 52 VAL H H 52 8.416 8.276 0.140 1
1 610 . 6 1 1 A 52 52 VAL HA H 52 5.196 5.261 -0.065 1
1 618 . 6 1 1 A 52 52 VAL CA C 52 59.207 59.830 -0.623 1
1 619 . 6 1 1 A 52 52 VAL CB C 52 33.156 35.882 -2.726 1
1 622 . 6 1 1 A 52 52 VAL N N 52 121.797 122.280 -0.483 1
1 623 . 6 1 1 A 53 53 THR H H 53 8.383 8.622 -0.239 1
1 624 . 6 1 1 A 53 53 THR HA H 53 4.358 5.115 -0.757 1
1 629 . 6 1 1 A 53 53 THR C C 53 169.741 172.990 -3.249 1
1 630 . 6 1 1 A 53 53 THR CA C 53 58.375 59.319 -0.944 1
1 631 . 6 1 1 A 53 53 THR CB C 53 70.707 72.553 -1.846 1
1 633 . 6 1 1 A 53 53 THR N N 53 117.287 114.505 2.782 1
1 634 . 6 1 1 A 54 54 PHE H H 54 8.737 8.791 -0.054 1
1 635 . 6 1 1 A 54 54 PHE HA H 54 4.536 4.862 -0.326 1
1 643 . 6 1 1 A 54 54 PHE C C 54 172.986 175.242 -2.256 1
1 644 . 6 1 1 A 54 54 PHE CA C 54 57.064 56.346 0.718 1
1 645 . 6 1 1 A 54 54 PHE CB C 54 38.755 42.280 -3.525 1
1 651 . 6 1 1 A 54 54 PHE N N 54 118.180 118.132 0.048 1
1 652 . 6 1 1 A 55 55 PHE H H 55 9.167 9.177 -0.010 1
1 653 . 6 1 1 A 55 55 PHE HA H 55 3.715 4.506 -0.791 1
1 660 . 6 1 1 A 55 55 PHE CA C 55 57.908 57.538 0.370 1
1 661 . 6 1 1 A 55 55 PHE CB C 55 39.594 39.453 0.141 1
1 666 . 6 1 1 A 55 55 PHE N N 55 128.290 124.168 4.122 1
1 667 . 6 1 1 A 56 56 PRO HA H 56 2.356 3.846 -1.490 1
1 674 . 6 1 1 A 56 56 PRO C C 56 171.012 175.560 -4.548 1
1 675 . 6 1 1 A 56 56 PRO CA C 56 62.611 63.807 -1.196 1
1 676 . 6 1 1 A 56 56 PRO CB C 56 32.522 31.819 0.703 1
1 679 . 6 1 1 A 57 57 ASP H H 57 9.009 7.865 1.144 1
1 680 . 6 1 1 A 57 57 ASP HA H 57 4.289 4.396 -0.107 1
1 683 . 6 1 1 A 57 57 ASP C C 57 173.257 176.348 -3.091 1
1 684 . 6 1 1 A 57 57 ASP CA C 57 53.752 54.235 -0.483 1
1 685 . 6 1 1 A 57 57 ASP CB C 57 40.067 41.528 -1.461 1
1 686 . 6 1 1 A 57 57 ASP N N 57 127.876 121.358 6.518 1
1 687 . 6 1 1 A 58 58 LEU H H 58 8.368 8.320 0.048 1
1 688 . 6 1 1 A 58 58 LEU HA H 58 4.229 4.893 -0.664 1
1 698 . 6 1 1 A 58 58 LEU C C 58 174.285 177.306 -3.021 1
1 699 . 6 1 1 A 58 58 LEU CA C 58 52.468 53.933 -1.465 1
1 700 . 6 1 1 A 58 58 LEU CB C 58 40.258 42.455 -2.197 1
1 704 . 6 1 1 A 58 58 LEU N N 58 128.010 122.113 5.897 1
1 705 . 6 1 1 A 59 59 ASN H H 59 8.430 7.968 0.462 1
1 706 . 6 1 1 A 59 59 ASN HA H 59 4.198 4.673 -0.475 1
1 711 . 6 1 1 A 59 59 ASN C C 59 173.636 176.316 -2.680 1
1 712 . 6 1 1 A 59 59 ASN CA C 59 54.945 54.789 0.156 1
1 713 . 6 1 1 A 59 59 ASN CB C 59 38.175 39.065 -0.890 1
1 714 . 6 1 1 A 59 59 ASN N N 59 116.745 116.983 -0.238 1
1 716 . 6 1 1 A 60 60 GLY H H 60 8.083 7.927 0.156 1
1 717 . 6 1 1 A 60 60 GLY HA2 H 60 3.766 4.023 -0.257 1
1 718 . 6 1 1 A 60 60 GLY HA3 H 60 3.326 4.043 -0.717 1
1 719 . 6 1 1 A 60 60 GLY C C 60 169.876 175.038 -5.162 1
1 720 . 6 1 1 A 60 60 GLY CA C 60 44.285 45.146 -0.861 1
1 721 . 6 1 1 A 60 60 GLY N N 60 110.045 107.723 2.322 1
1 722 . 6 1 1 A 61 61 ASP H H 61 8.084 8.859 -0.775 1
1 723 . 6 1 1 A 61 61 ASP HA H 61 4.200 4.427 -0.227 1
1 726 . 6 1 1 A 61 61 ASP C C 61 172.283 175.470 -3.187 1
1 727 . 6 1 1 A 61 61 ASP CA C 61 56.865 56.377 0.488 1
1 728 . 6 1 1 A 61 61 ASP CB C 61 42.113 40.793 1.320 1
1 729 . 6 1 1 A 61 61 ASP N N 61 121.395 120.322 1.073 1
1 730 . 6 1 1 A 62 62 VAL H H 62 8.387 7.771 0.616 1
1 731 . 6 1 1 A 62 62 VAL HA H 62 4.096 4.657 -0.561 1
1 739 . 6 1 1 A 62 62 VAL C C 62 171.255 174.519 -3.264 1
1 740 . 6 1 1 A 62 62 VAL CA C 62 58.914 60.487 -1.573 1
1 741 . 6 1 1 A 62 62 VAL CB C 62 34.433 35.553 -1.120 1
1 744 . 6 1 1 A 62 62 VAL N N 62 117.701 117.151 0.550 1
1 745 . 6 1 1 A 63 63 VAL H H 63 8.251 8.351 -0.100 1
1 746 . 6 1 1 A 63 63 VAL HA H 63 4.637 4.861 -0.224 1
1 754 . 6 1 1 A 63 63 VAL C C 63 171.282 174.616 -3.334 1
1 755 . 6 1 1 A 63 63 VAL CA C 63 59.233 59.881 -0.648 1
1 756 . 6 1 1 A 63 63 VAL CB C 63 33.531 35.628 -2.097 1
1 759 . 6 1 1 A 63 63 VAL N N 63 125.341 124.802 0.539 1
1 760 . 6 1 1 A 64 64 ALA H H 64 9.316 8.864 0.452 1
1 761 . 6 1 1 A 64 64 ALA HA H 64 5.036 5.345 -0.309 1
1 765 . 6 1 1 A 64 64 ALA C C 64 173.825 175.588 -1.763 1
1 766 . 6 1 1 A 64 64 ALA CA C 64 49.059 50.200 -1.141 1
1 767 . 6 1 1 A 64 64 ALA CB C 64 20.323 23.662 -3.339 1
1 768 . 6 1 1 A 64 64 ALA N N 64 128.526 125.158 3.368 1
1 769 . 6 1 1 A 65 65 ILE H H 65 9.451 9.289 0.162 1
1 770 . 6 1 1 A 65 65 ILE HA H 65 4.475 4.621 -0.146 1
1 780 . 6 1 1 A 65 65 ILE C C 65 172.121 174.719 -2.598 1
1 781 . 6 1 1 A 65 65 ILE CA C 65 56.490 59.931 -3.441 1
1 782 . 6 1 1 A 65 65 ILE CB C 65 37.474 42.244 -4.770 1
1 786 . 6 1 1 A 65 65 ILE N N 65 126.677 120.367 6.310 1
1 787 . 6 1 1 A 66 66 ASP H H 66 9.165 8.691 0.474 1
1 788 . 6 1 1 A 66 66 ASP HA H 66 4.045 4.136 -0.091 1
1 791 . 6 1 1 A 66 66 ASP C C 66 174.663 177.180 -2.517 1
1 792 . 6 1 1 A 66 66 ASP CA C 66 54.199 54.511 -0.312 1
1 793 . 6 1 1 A 66 66 ASP CB C 66 42.211 42.124 0.087 1
1 794 . 6 1 1 A 66 66 ASP N N 66 128.723 126.998 1.725 1
1 795 . 6 1 1 A 67 67 TYR H H 67 8.919 9.338 -0.419 1
1 796 . 6 1 1 A 67 67 TYR HA H 67 4.344 4.228 0.116 1
1 801 . 6 1 1 A 67 67 TYR C C 67 173.257 177.154 -3.897 1
1 802 . 6 1 1 A 67 67 TYR CA C 67 59.614 61.683 -2.069 1
1 803 . 6 1 1 A 67 67 TYR CB C 67 39.338 38.943 0.395 1
1 806 . 6 1 1 A 67 67 TYR N N 67 127.739 128.469 -0.730 1
1 807 . 6 1 1 A 68 68 ARG H H 68 9.459 8.350 1.109 1
1 808 . 6 1 1 A 68 68 ARG HA H 68 3.923 3.974 -0.051 1
1 815 . 6 1 1 A 68 68 ARG C C 68 174.150 176.749 -2.599 1
1 816 . 6 1 1 A 68 68 ARG CA C 68 57.691 58.197 -0.506 1
1 817 . 6 1 1 A 68 68 ARG CB C 68 27.945 29.758 -1.813 1
1 820 . 6 1 1 A 68 68 ARG N N 68 121.666 117.762 3.904 1
1 821 . 6 1 1 A 69 69 HIS H H 69 8.146 7.505 0.641 1
1 822 . 6 1 1 A 69 69 HIS HA H 69 4.538 4.599 -0.061 1
1 826 . 6 1 1 A 69 69 HIS C C 69 171.391 174.560 -3.169 1
1 827 . 6 1 1 A 69 69 HIS CA C 69 55.405 55.805 -0.400 1
1 828 . 6 1 1 A 69 69 HIS CB C 69 29.458 29.825 -0.367 1
1 830 . 6 1 1 A 69 69 HIS N N 69 117.372 116.725 0.647 1
1 831 . 6 1 1 A 70 70 TYR H H 70 7.468 7.452 0.016 1
1 832 . 6 1 1 A 70 70 TYR HA H 70 3.431 3.457 -0.026 1
1 839 . 6 1 1 A 70 70 TYR C C 70 171.904 174.418 -2.514 1
1 840 . 6 1 1 A 70 70 TYR CA C 70 60.020 55.451 4.569 1
1 841 . 6 1 1 A 70 70 TYR CB C 70 37.554 35.924 1.630 1
1 846 . 6 1 1 A 70 70 TYR N N 70 121.636 122.028 -0.392 1
1 847 . 6 1 1 A 71 71 SER H H 71 5.657 8.996 -3.339 1
1 848 . 6 1 1 A 71 71 SER HA H 71 3.958 4.310 -0.352 1
1 851 . 6 1 1 A 71 71 SER C C 71 170.390 175.529 -5.139 1
1 852 . 6 1 1 A 71 71 SER CA C 71 55.267 58.699 -3.432 1
1 853 . 6 1 1 A 71 71 SER CB C 71 64.410 64.159 0.251 1
1 854 . 6 1 1 A 71 71 SER N N 71 120.240 122.842 -2.602 1
1 855 . 6 1 1 A 72 72 ALA H H 72 8.461 8.854 -0.393 1
1 856 . 6 1 1 A 72 72 ALA HA H 72 3.757 3.892 -0.135 1
1 860 . 6 1 1 A 72 72 ALA CA C 72 54.250 54.793 -0.543 1
1 861 . 6 1 1 A 72 72 ALA CB C 72 17.423 18.262 -0.839 1
1 862 . 6 1 1 A 72 72 ALA N N 72 123.497 126.725 -3.228 1
1 863 . 6 1 1 A 73 73 SER HA H 73 3.904 4.014 -0.110 1
1 866 . 6 1 1 A 73 73 SER C C 73 172.500 175.300 -2.800 1
1 867 . 6 1 1 A 73 73 SER CA C 73 59.873 61.626 -1.753 1
1 868 . 6 1 1 A 73 73 SER CB C 73 61.769 62.471 -0.702 1
1 869 . 6 1 1 A 74 74 PHE H H 74 7.508 7.849 -0.341 1
1 870 . 6 1 1 A 74 74 PHE HA H 74 5.163 4.923 0.240 1
1 877 . 6 1 1 A 74 74 PHE C C 74 173.987 176.082 -2.095 1
1 878 . 6 1 1 A 74 74 PHE CA C 74 53.320 57.147 -3.827 1
1 879 . 6 1 1 A 74 74 PHE CB C 74 37.854 39.306 -1.452 1
1 884 . 6 1 1 A 74 74 PHE N N 74 118.853 117.904 0.949 1
1 885 . 6 1 1 A 75 75 LYS H H 75 7.245 7.481 -0.236 1
1 886 . 6 1 1 A 75 75 LYS HA H 75 4.200 4.089 0.111 1
1 895 . 6 1 1 A 75 75 LYS C C 75 173.717 178.211 -4.494 1
1 896 . 6 1 1 A 75 75 LYS CA C 75 59.003 60.155 -1.152 1
1 897 . 6 1 1 A 75 75 LYS CB C 75 31.846 32.541 -0.695 1
1 901 . 6 1 1 A 75 75 LYS N N 75 121.129 122.756 -1.627 1
1 902 . 6 1 1 A 76 76 LYS H H 76 7.841 7.611 0.230 1
1 903 . 6 1 1 A 76 76 LYS HA H 76 3.738 2.725 1.013 1
1 912 . 6 1 1 A 76 76 LYS C C 76 170.200 175.630 -5.430 1
1 913 . 6 1 1 A 76 76 LYS CA C 76 55.114 55.333 -0.219 1
1 914 . 6 1 1 A 76 76 LYS CB C 76 32.393 32.309 0.084 1
1 918 . 6 1 1 A 76 76 LYS N N 76 114.423 116.359 -1.936 1
1 919 . 6 1 1 A 77 77 GLY H H 77 7.239 7.226 0.013 1
1 920 . 6 1 1 A 77 77 GLY HA2 H 77 3.737 3.972 -0.235 1
1 921 . 6 1 1 A 77 77 GLY HA3 H 77 4.771 3.992 0.779 1
1 922 . 6 1 1 A 77 77 GLY C C 77 170.795 171.877 -1.082 1
1 923 . 6 1 1 A 77 77 GLY CA C 77 43.770 44.229 -0.459 1
1 924 . 6 1 1 A 77 77 GLY N N 77 103.318 106.915 -3.597 1
1 925 . 6 1 1 A 78 78 ALA H H 78 6.868 8.308 -1.440 1
1 926 . 6 1 1 A 78 78 ALA HA H 78 4.982 5.123 -0.141 1
1 930 . 6 1 1 A 78 78 ALA C C 78 171.904 175.505 -3.601 1
1 931 . 6 1 1 A 78 78 ALA CA C 78 49.907 51.217 -1.310 1
1 932 . 6 1 1 A 78 78 ALA CB C 78 22.601 23.315 -0.714 1
1 933 . 6 1 1 A 78 78 ALA N N 78 117.057 120.935 -3.878 1
1 934 . 6 1 1 A 79 79 LYS H H 79 8.765 8.921 -0.156 1
1 935 . 6 1 1 A 79 79 LYS HA H 79 4.636 4.944 -0.308 1
1 944 . 6 1 1 A 79 79 LYS C C 79 171.039 174.240 -3.201 1
1 945 . 6 1 1 A 79 79 LYS CA C 79 54.485 54.065 0.420 1
1 946 . 6 1 1 A 79 79 LYS CB C 79 35.963 36.134 -0.171 1
1 950 . 6 1 1 A 79 79 LYS N N 79 117.018 115.668 1.350 1
1 951 . 6 1 1 A 80 80 LEU H H 80 8.782 8.709 0.073 1
1 952 . 6 1 1 A 80 80 LEU HA H 80 4.459 4.388 0.071 1
1 962 . 6 1 1 A 80 80 LEU C C 80 173.095 177.231 -4.136 1
1 963 . 6 1 1 A 80 80 LEU CA C 80 52.743 52.373 0.370 1
1 964 . 6 1 1 A 80 80 LEU CB C 80 42.494 44.165 -1.671 1
1 968 . 6 1 1 A 80 80 LEU N N 80 122.496 122.498 -0.002 1
1 969 . 6 1 1 A 81 81 LEU H H 81 8.636 8.637 -0.001 1
1 970 . 6 1 1 A 81 81 LEU HA H 81 3.578 4.018 -0.440 1
1 980 . 6 1 1 A 81 81 LEU CA C 81 57.316 58.569 -1.253 1
1 981 . 6 1 1 A 81 81 LEU CB C 81 39.032 42.054 -3.022 1
1 985 . 6 1 1 A 81 81 LEU N N 81 125.060 125.031 0.029 1
1 986 . 6 1 1 A 82 82 HIS H H 82 8.379 7.594 0.785 1
1 987 . 6 1 1 A 82 82 HIS HA H 82 4.551 4.777 -0.226 1
1 992 . 6 1 1 A 82 82 HIS C C 82 172.635 174.353 -1.718 1
1 993 . 6 1 1 A 82 82 HIS CA C 82 55.432 55.363 0.069 1
1 994 . 6 1 1 A 82 82 HIS CB C 82 29.646 31.515 -1.869 1
1 997 . 6 1 1 A 82 82 HIS N N 82 114.387 111.214 3.173 1
1 998 . 6 1 1 A 83 83 LYS H H 83 8.023 7.440 0.583 1
1 999 . 6 1 1 A 83 83 LYS HA H 83 4.670 4.354 0.316 1
1 1008 . 6 1 1 A 83 83 LYS CA C 83 52.041 53.386 -1.345 1
1 1009 . 6 1 1 A 83 83 LYS CB C 83 32.741 32.652 0.089 1
1 1013 . 6 1 1 A 83 83 LYS N N 83 122.886 120.957 1.929 1
1 1014 . 6 1 1 A 84 84 PRO HA H 84 4.585 4.738 -0.153 1
1 1021 . 6 1 1 A 84 84 PRO C C 84 172.797 176.419 -3.622 1
1 1022 . 6 1 1 A 84 84 PRO CA C 84 62.050 62.266 -0.216 1
1 1023 . 6 1 1 A 84 84 PRO CB C 84 32.770 32.408 0.362 1
1 1026 . 6 1 1 A 85 85 ILE H H 85 6.185 8.158 -1.973 1
1 1027 . 6 1 1 A 85 85 ILE HA H 85 5.743 5.249 0.494 1
1 1037 . 6 1 1 A 85 85 ILE C C 85 174.366 174.262 0.104 1
1 1038 . 6 1 1 A 85 85 ILE CA C 85 57.032 58.503 -1.471 1
1 1039 . 6 1 1 A 85 85 ILE CB C 85 41.265 42.056 -0.791 1
1 1043 . 6 1 1 A 85 85 ILE N N 85 107.777 116.360 -8.583 1
1 1044 . 6 1 1 A 86 86 VAL H H 86 7.552 8.703 -1.151 1
1 1045 . 6 1 1 A 86 86 VAL HA H 86 4.278 4.739 -0.461 1
1 1053 . 6 1 1 A 86 86 VAL CA C 86 59.345 58.741 0.604 1
1 1054 . 6 1 1 A 86 86 VAL CB C 86 34.990 35.874 -0.884 1
1 1057 . 6 1 1 A 86 86 VAL N N 86 109.584 114.422 -4.838 1
1 1058 . 6 1 1 A 87 87 TRP H H 87 10.036 8.475 1.561 1
1 1059 . 6 1 1 A 87 87 TRP HA H 87 6.158 5.269 0.889 1
1 1068 . 6 1 1 A 87 87 TRP C C 87 174.393 176.583 -2.190 1
1 1069 . 6 1 1 A 87 87 TRP CA C 87 55.238 57.209 -1.971 1
1 1070 . 6 1 1 A 87 87 TRP CB C 87 32.786 30.819 1.967 1
1 1076 . 6 1 1 A 87 87 TRP N N 87 122.256 124.508 -2.252 1
1 1078 . 6 1 1 A 88 88 HIS H H 88 8.802 9.146 -0.344 1
1 1079 . 6 1 1 A 88 88 HIS HA H 88 5.383 5.834 -0.451 1
1 1085 . 6 1 1 A 88 88 HIS CA C 88 53.902 53.882 0.020 1
1 1086 . 6 1 1 A 88 88 HIS CB C 88 37.553 32.697 4.856 1
1 1089 . 6 1 1 A 88 88 HIS N N 88 116.636 118.149 -1.513 1
1 1090 . 6 1 1 A 89 89 ILE H H 89 9.197 8.747 0.450 1
1 1091 . 6 1 1 A 89 89 ILE HA H 89 4.022 4.309 -0.287 1
1 1101 . 6 1 1 A 89 89 ILE C C 89 174.582 175.978 -1.396 1
1 1102 . 6 1 1 A 89 89 ILE CA C 89 61.042 60.311 0.731 1
1 1103 . 6 1 1 A 89 89 ILE CB C 89 40.176 40.276 -0.100 1
1 1107 . 6 1 1 A 89 89 ILE N N 89 118.669 119.520 -0.851 1
1 1108 . 6 1 1 A 90 90 ASN H H 90 9.688 9.405 0.283 1
1 1109 . 6 1 1 A 90 90 ASN HA H 90 4.281 4.334 -0.053 1
1 1114 . 6 1 1 A 90 90 ASN C C 90 171.418 174.396 -2.978 1
1 1115 . 6 1 1 A 90 90 ASN CA C 90 53.724 54.576 -0.852 1
1 1116 . 6 1 1 A 90 90 ASN CB C 90 36.919 36.965 -0.046 1
1 1117 . 6 1 1 A 90 90 ASN N N 90 128.710 126.840 1.870 1
1 1119 . 6 1 1 A 91 91 GLN H H 91 10.928 8.350 2.578 1
1 1120 . 6 1 1 A 91 91 GLN HA H 91 2.586 3.213 -0.627 1
1 1127 . 6 1 1 A 91 91 GLN C C 91 170.146 173.998 -3.852 1
1 1128 . 6 1 1 A 91 91 GLN CA C 91 55.444 56.826 -1.382 1
1 1129 . 6 1 1 A 91 91 GLN CB C 91 23.948 26.030 -2.082 1
1 1131 . 6 1 1 A 91 91 GLN N N 91 112.871 109.077 3.794 1
1 1133 . 6 1 1 A 92 92 ALA H H 92 7.692 7.835 -0.143 1
1 1134 . 6 1 1 A 92 92 ALA HA H 92 4.979 4.976 0.003 1
1 1138 . 6 1 1 A 92 92 ALA C C 92 174.068 175.861 -1.793 1
1 1139 . 6 1 1 A 92 92 ALA CA C 92 49.792 50.966 -1.174 1
1 1140 . 6 1 1 A 92 92 ALA CB C 92 21.832 21.950 -0.118 1
1 1141 . 6 1 1 A 92 92 ALA N N 92 118.287 119.812 -1.525 1
1 1142 . 6 1 1 A 93 93 THR H H 93 9.026 9.192 -0.166 1
1 1143 . 6 1 1 A 93 93 THR HA H 93 5.281 4.894 0.387 1
1 1148 . 6 1 1 A 93 93 THR C C 93 170.768 174.203 -3.435 1
1 1149 . 6 1 1 A 93 93 THR CA C 93 58.597 61.267 -2.670 1
1 1150 . 6 1 1 A 93 93 THR CB C 93 70.855 69.308 1.547 1
1 1152 . 6 1 1 A 93 93 THR N N 93 114.894 120.476 -5.582 1
1 1153 . 6 1 1 A 94 94 THR H H 94 8.292 8.848 -0.556 1
1 1154 . 6 1 1 A 94 94 THR HA H 94 4.903 4.794 0.109 1
1 1159 . 6 1 1 A 94 94 THR CA C 94 58.800 60.581 -1.781 1
1 1160 . 6 1 1 A 94 94 THR CB C 94 71.488 71.358 0.130 1
1 1162 . 6 1 1 A 94 94 THR N N 94 119.907 119.010 0.897 1
1 1163 . 6 1 1 A 95 95 LYS HA H 95 4.056 4.500 -0.444 1
1 1172 . 6 1 1 A 95 95 LYS CA C 95 59.376 58.496 0.880 1
1 1173 . 6 1 1 A 95 95 LYS CB C 95 31.083 32.175 -1.092 1
1 1177 . 6 1 1 A 96 96 THR H H 96 7.773 7.732 0.041 1
1 1178 . 6 1 1 A 96 96 THR HA H 96 3.798 4.270 -0.472 1
1 1183 . 6 1 1 A 96 96 THR C C 96 171.850 176.300 -4.450 1
1 1184 . 6 1 1 A 96 96 THR CA C 96 64.506 64.836 -0.330 1
1 1185 . 6 1 1 A 96 96 THR CB C 96 68.405 69.516 -1.111 1
1 1187 . 6 1 1 A 96 96 THR N N 96 113.841 113.510 0.331 1
1 1188 . 6 1 1 A 97 97 THR H H 97 6.795 7.788 -0.993 1
1 1189 . 6 1 1 A 97 97 THR HA H 97 3.604 4.588 -0.984 1
1 1194 . 6 1 1 A 97 97 THR C C 97 171.959 176.385 -4.426 1
1 1195 . 6 1 1 A 97 97 THR CA C 97 61.209 62.615 -1.406 1
1 1196 . 6 1 1 A 97 97 THR CB C 97 67.962 69.918 -1.956 1
1 1198 . 6 1 1 A 97 97 THR N N 97 105.731 111.655 -5.924 1
1 1199 . 6 1 1 A 98 98 PHE H H 98 7.410 8.468 -1.058 1
1 1200 . 6 1 1 A 98 98 PHE HA H 98 4.220 4.131 0.089 1
1 1207 . 6 1 1 A 98 98 PHE C C 98 174.528 177.244 -2.716 1
1 1208 . 6 1 1 A 98 98 PHE CA C 98 61.879 61.698 0.181 1
1 1209 . 6 1 1 A 98 98 PHE CB C 98 38.875 39.343 -0.468 1
1 1214 . 6 1 1 A 98 98 PHE N N 98 126.402 123.690 2.712 1
1 1215 . 6 1 1 A 99 99 LYS H H 99 9.459 8.065 1.394 1
1 1216 . 6 1 1 A 99 99 LYS HA H 99 4.089 3.256 0.833 1
1 1225 . 6 1 1 A 99 99 LYS CA C 99 60.763 61.099 -0.336 1
1 1226 . 6 1 1 A 99 99 LYS CB C 99 28.635 31.010 -2.375 1
1 1230 . 6 1 1 A 99 99 LYS N N 99 121.490 117.098 4.392 1
1 1231 . 6 1 1 A 100 100 PRO HA H 100 4.922 4.570 0.352 1
1 1238 . 6 1 1 A 100 100 PRO C C 100 177.314 179.154 -1.840 1
1 1239 . 6 1 1 A 100 100 PRO CA C 100 66.173 65.225 0.948 1
1 1240 . 6 1 1 A 100 100 PRO CB C 100 31.535 31.046 0.489 1
1 1243 . 6 1 1 A 101 101 ASN H H 101 8.530 8.229 0.301 1
1 1244 . 6 1 1 A 101 101 ASN HA H 101 5.244 4.502 0.742 1
1 1249 . 6 1 1 A 101 101 ASN C C 101 175.204 177.753 -2.549 1
1 1250 . 6 1 1 A 101 101 ASN CA C 101 54.555 55.684 -1.129 1
1 1251 . 6 1 1 A 101 101 ASN CB C 101 36.187 37.798 -1.611 1
1 1252 . 6 1 1 A 101 101 ASN N N 101 115.238 115.834 -0.596 1
1 1254 . 6 1 1 A 102 102 THR H H 102 8.488 7.677 0.811 1
1 1255 . 6 1 1 A 102 102 THR HA H 102 4.184 3.941 0.243 1
1 1260 . 6 1 1 A 102 102 THR C C 102 171.472 176.876 -5.404 1
1 1261 . 6 1 1 A 102 102 THR CA C 102 67.543 65.721 1.822 1
1 1262 . 6 1 1 A 102 102 THR CB C 102 67.001 67.892 -0.891 1
1 1264 . 6 1 1 A 102 102 THR N N 102 120.254 111.233 9.021 1
1 1265 . 6 1 1 A 103 103 TRP H H 103 7.283 7.712 -0.429 1
1 1266 . 6 1 1 A 103 103 TRP HA H 103 3.986 4.261 -0.275 1
1 1275 . 6 1 1 A 103 103 TRP C C 103 175.800 178.297 -2.497 1
1 1276 . 6 1 1 A 103 103 TRP CA C 103 60.856 59.786 1.070 1
1 1277 . 6 1 1 A 103 103 TRP CB C 103 27.948 29.044 -1.096 1
1 1283 . 6 1 1 A 103 103 TRP N N 103 121.763 121.160 0.603 1
1 1285 . 6 1 1 A 104 104 CYS H H 104 8.233 7.513 0.720 1
1 1286 . 6 1 1 A 104 104 CYS HA H 104 4.272 3.934 0.338 1
1 1289 . 6 1 1 A 104 104 CYS C C 104 176.259 176.879 -0.620 1
1 1290 . 6 1 1 A 104 104 CYS CA C 104 65.226 62.398 2.828 1
1 1291 . 6 1 1 A 104 104 CYS CB C 104 26.949 26.121 0.828 1
1 1292 . 6 1 1 A 104 104 CYS N N 104 118.046 119.040 -0.994 1
1 1293 . 6 1 1 A 105 105 LEU H H 105 8.726 8.226 0.500 1
1 1294 . 6 1 1 A 105 105 LEU HA H 105 4.000 3.891 0.109 1
1 1304 . 6 1 1 A 105 105 LEU C C 105 176.205 178.807 -2.602 1
1 1305 . 6 1 1 A 105 105 LEU CA C 105 57.810 57.890 -0.080 1
1 1306 . 6 1 1 A 105 105 LEU CB C 105 40.484 41.349 -0.865 1
1 1310 . 6 1 1 A 105 105 LEU N N 105 120.557 120.794 -0.237 1
1 1311 . 6 1 1 A 106 106 ARG H H 106 6.990 7.614 -0.624 1
1 1312 . 6 1 1 A 106 106 ARG HA H 106 2.054 2.603 -0.549 1
1 1319 . 6 1 1 A 106 106 ARG C C 106 177.179 176.875 0.304 1
1 1320 . 6 1 1 A 106 106 ARG CA C 106 57.405 58.047 -0.642 1
1 1321 . 6 1 1 A 106 106 ARG CB C 106 29.269 29.375 -0.106 1
1 1324 . 6 1 1 A 106 106 ARG N N 106 118.050 117.644 0.406 1
1 1325 . 6 1 1 A 107 107 CYS H H 107 7.623 7.829 -0.206 1
1 1326 . 6 1 1 A 107 107 CYS HA H 107 4.031 4.448 -0.417 1
1 1329 . 6 1 1 A 107 107 CYS C C 107 172.337 175.677 -3.340 1
1 1330 . 6 1 1 A 107 107 CYS CA C 107 63.291 59.156 4.135 1
1 1331 . 6 1 1 A 107 107 CYS CB C 107 26.214 28.319 -2.105 1
1 1332 . 6 1 1 A 107 107 CYS N N 107 117.028 118.074 -1.046 1
1 1333 . 6 1 1 A 108 108 LEU H H 108 7.484 7.744 -0.260 1
1 1334 . 6 1 1 A 108 108 LEU HA H 108 4.159 4.222 -0.063 1
1 1344 . 6 1 1 A 108 108 LEU C C 108 174.582 176.840 -2.258 1
1 1345 . 6 1 1 A 108 108 LEU CA C 108 54.203 54.407 -0.204 1
1 1346 . 6 1 1 A 108 108 LEU CB C 108 41.621 42.220 -0.599 1
1 1350 . 6 1 1 A 108 108 LEU N N 108 117.680 118.138 -0.458 1
1 1351 . 6 1 1 A 109 109 TRP H H 109 7.427 7.779 -0.352 1
1 1352 . 6 1 1 A 109 109 TRP HA H 109 4.828 4.995 -0.167 1
1 1361 . 6 1 1 A 109 109 TRP C C 109 173.176 176.399 -3.223 1
1 1362 . 6 1 1 A 109 109 TRP CA C 109 56.353 58.243 -1.890 1
1 1363 . 6 1 1 A 109 109 TRP CB C 109 29.743 30.060 -0.317 1
1 1369 . 6 1 1 A 109 109 TRP N N 109 119.087 121.239 -2.152 1
1 1371 . 6 1 1 A 110 110 SER H H 110 8.199 8.866 -0.667 1
1 1372 . 6 1 1 A 110 110 SER HA H 110 4.688 5.064 -0.376 1
1 1375 . 6 1 1 A 110 110 SER C C 110 171.769 173.870 -2.101 1
1 1376 . 6 1 1 A 110 110 SER CA C 110 56.324 56.108 0.216 1
1 1377 . 6 1 1 A 110 110 SER CB C 110 64.513 65.758 -1.245 1
1 1378 . 6 1 1 A 110 110 SER N N 110 115.602 116.496 -0.894 1
1 1379 . 6 1 1 A 111 111 THR H H 111 8.268 8.540 -0.272 1
1 1380 . 6 1 1 A 111 111 THR HA H 111 4.425 4.685 -0.260 1
1 1385 . 6 1 1 A 111 111 THR C C 111 171.526 174.127 -2.601 1
1 1386 . 6 1 1 A 111 111 THR CA C 111 60.861 60.852 0.009 1
1 1387 . 6 1 1 A 111 111 THR CB C 111 69.202 70.723 -1.521 1
1 1389 . 6 1 1 A 111 111 THR N N 111 114.394 116.231 -1.837 1
1 1390 . 6 1 1 A 112 112 LYS H H 112 8.240 8.953 -0.713 1
1 1391 . 6 1 1 A 112 112 LYS HA H 112 4.530 3.920 0.610 1
1 1400 . 6 1 1 A 112 112 LYS CA C 112 53.768 57.169 -3.401 1
1 1401 . 6 1 1 A 112 112 LYS CB C 112 32.067 31.075 0.992 1
1 1405 . 6 1 1 A 112 112 LYS N N 112 125.207 121.221 3.986 1
1 1406 . 6 1 1 A 113 113 PRO HA H 113 4.380 4.740 -0.360 1
1 1413 . 6 1 1 A 113 113 PRO C C 113 174.095 176.137 -2.042 1
1 1414 . 6 1 1 A 113 113 PRO CA C 113 62.381 62.570 -0.189 1
1 1415 . 6 1 1 A 113 113 PRO CB C 113 31.408 32.570 -1.162 1
1 1418 . 6 1 1 A 114 114 VAL H H 114 8.195 8.741 -0.546 1
1 1419 . 6 1 1 A 114 114 VAL HA H 114 4.029 4.388 -0.359 1
1 1427 . 6 1 1 A 114 114 VAL C C 114 173.122 174.762 -1.640 1
1 1428 . 6 1 1 A 114 114 VAL CA C 114 61.335 60.573 0.762 1
1 1429 . 6 1 1 A 114 114 VAL CB C 114 32.153 32.533 -0.380 1
1 1432 . 6 1 1 A 114 114 VAL N N 114 120.113 121.013 -0.900 1
1 1433 . 6 1 1 A 115 115 ASP H H 115 8.345 8.392 -0.047 1
1 1434 . 6 1 1 A 115 115 ASP HA H 115 4.592 4.247 0.345 1
1 1437 . 6 1 1 A 115 115 ASP C C 115 172.608 175.503 -2.895 1
1 1438 . 6 1 1 A 115 115 ASP CA C 115 53.202 55.657 -2.455 1
1 1439 . 6 1 1 A 115 115 ASP CB C 115 40.552 39.291 1.261 1
1 1440 . 6 1 1 A 115 115 ASP N N 115 123.853 126.019 -2.166 1
1 1 . 7 1 1 A 2 2 TYR HA H 2 4.617 4.882 -0.265 1
1 7 . 7 1 1 A 2 2 TYR C C 2 172.716 173.962 -1.246 1
1 8 . 7 1 1 A 2 2 TYR CA C 2 56.943 57.699 -0.756 1
1 9 . 7 1 1 A 2 2 TYR CB C 2 38.050 41.217 -3.167 1
1 14 . 7 1 1 A 2 2 TYR N N 2 121.461 126.129 -4.668 1
1 15 . 7 1 1 A 3 3 THR H H 3 7.984 8.044 -0.060 1
1 16 . 7 1 1 A 3 3 THR HA H 3 4.684 4.658 0.026 1
1 21 . 7 1 1 A 3 3 THR C C 3 170.931 174.090 -3.159 1
1 22 . 7 1 1 A 3 3 THR CA C 3 60.870 61.427 -0.557 1
1 23 . 7 1 1 A 3 3 THR CB C 3 69.270 69.808 -0.538 1
1 25 . 7 1 1 A 3 3 THR N N 3 117.624 116.597 1.027 1
1 26 . 7 1 1 A 4 4 GLU H H 4 8.290 7.480 0.810 1
1 27 . 7 1 1 A 4 4 GLU HA H 4 4.183 4.121 0.062 1
1 32 . 7 1 1 A 4 4 GLU C C 4 173.013 176.484 -3.471 1
1 33 . 7 1 1 A 4 4 GLU CA C 4 55.876 56.744 -0.868 1
1 34 . 7 1 1 A 4 4 GLU CB C 4 29.779 30.305 -0.526 1
1 36 . 7 1 1 A 4 4 GLU N N 4 123.377 123.869 -0.492 1
1 37 . 7 1 1 A 5 5 GLN H H 5 8.329 8.436 -0.107 1
1 38 . 7 1 1 A 5 5 GLN HA H 5 4.392 4.436 -0.044 1
1 43 . 7 1 1 A 5 5 GLN CA C 5 52.634 54.364 -1.730 1
1 44 . 7 1 1 A 5 5 GLN CB C 5 28.759 27.945 0.814 1
1 46 . 7 1 1 A 5 5 GLN N N 5 122.599 126.086 -3.487 1
1 47 . 7 1 1 A 6 6 PRO HA H 6 4.323 5.048 -0.725 1
1 54 . 7 1 1 A 6 6 PRO C C 6 173.636 176.438 -2.802 1
1 55 . 7 1 1 A 6 6 PRO CA C 6 62.080 62.697 -0.617 1
1 56 . 7 1 1 A 6 6 PRO CB C 6 30.785 32.311 -1.526 1
1 59 . 7 1 1 A 7 7 ILE H H 7 8.160 8.339 -0.179 1
1 60 . 7 1 1 A 7 7 ILE HA H 7 3.871 4.037 -0.166 1
1 70 . 7 1 1 A 7 7 ILE C C 7 172.770 176.312 -3.542 1
1 71 . 7 1 1 A 7 7 ILE CA C 7 60.589 60.761 -0.172 1
1 72 . 7 1 1 A 7 7 ILE CB C 7 38.318 36.109 2.209 1
1 76 . 7 1 1 A 7 7 ILE N N 7 121.913 122.144 -0.231 1
1 77 . 7 1 1 A 8 8 ASP H H 8 8.126 8.589 -0.463 1
1 78 . 7 1 1 A 8 8 ASP HA H 8 4.584 4.160 0.424 1
1 81 . 7 1 1 A 8 8 ASP C C 8 171.742 175.281 -3.539 1
1 82 . 7 1 1 A 8 8 ASP CA C 8 53.265 55.639 -2.374 1
1 83 . 7 1 1 A 8 8 ASP CB C 8 39.521 39.995 -0.474 1
1 84 . 7 1 1 A 8 8 ASP N N 8 124.858 125.337 -0.479 1
1 85 . 7 1 1 A 9 9 LEU H H 9 7.374 7.935 -0.561 1
1 86 . 7 1 1 A 9 9 LEU HA H 9 4.506 4.572 -0.066 1
1 96 . 7 1 1 A 9 9 LEU C C 9 174.041 175.866 -1.825 1
1 97 . 7 1 1 A 9 9 LEU CA C 9 53.779 54.751 -0.972 1
1 98 . 7 1 1 A 9 9 LEU CB C 9 43.411 43.033 0.378 1
1 102 . 7 1 1 A 9 9 LEU N N 9 122.151 120.618 1.533 1
1 103 . 7 1 1 A 10 10 VAL H H 10 8.827 8.847 -0.020 1
1 104 . 7 1 1 A 10 10 VAL HA H 10 4.841 5.030 -0.189 1
1 112 . 7 1 1 A 10 10 VAL CA C 10 57.706 58.361 -0.655 1
1 113 . 7 1 1 A 10 10 VAL CB C 10 33.895 34.679 -0.784 1
1 116 . 7 1 1 A 10 10 VAL N N 10 120.738 120.616 0.122 1
1 117 . 7 1 1 A 11 11 PRO HA H 11 4.766 4.980 -0.214 1
1 124 . 7 1 1 A 11 11 PRO C C 11 173.149 175.212 -2.063 1
1 125 . 7 1 1 A 11 11 PRO CA C 11 62.417 62.831 -0.414 1
1 126 . 7 1 1 A 11 11 PRO CB C 11 32.119 32.612 -0.493 1
1 129 . 7 1 1 A 12 12 THR H H 12 7.408 8.195 -0.787 1
1 130 . 7 1 1 A 12 12 THR HA H 12 4.280 4.886 -0.606 1
1 135 . 7 1 1 A 12 12 THR C C 12 166.981 172.515 -5.534 1
1 136 . 7 1 1 A 12 12 THR CA C 12 59.142 59.461 -0.319 1
1 137 . 7 1 1 A 12 12 THR CB C 12 68.812 70.562 -1.750 1
1 139 . 7 1 1 A 12 12 THR N N 12 115.177 116.671 -1.494 1
1 140 . 7 1 1 A 13 13 GLN H H 13 7.953 8.826 -0.873 1
1 141 . 7 1 1 A 13 13 GLN HA H 13 5.073 5.020 0.053 1
1 146 . 7 1 1 A 13 13 GLN CA C 13 52.836 53.330 -0.494 1
1 147 . 7 1 1 A 13 13 GLN CB C 13 28.566 32.013 -3.447 1
1 149 . 7 1 1 A 13 13 GLN N N 13 113.324 119.418 -6.094 1
1 150 . 7 1 1 A 14 14 PRO HA H 14 4.340 4.671 -0.331 1
1 157 . 7 1 1 A 14 14 PRO C C 14 173.392 176.536 -3.144 1
1 158 . 7 1 1 A 14 14 PRO CA C 14 62.498 62.381 0.117 1
1 159 . 7 1 1 A 14 14 PRO CB C 14 31.565 33.022 -1.457 1
1 162 . 7 1 1 A 15 15 LEU H H 15 8.764 8.430 0.334 1
1 163 . 7 1 1 A 15 15 LEU HA H 15 4.511 4.780 -0.269 1
1 173 . 7 1 1 A 15 15 LEU CA C 15 52.597 51.844 0.753 1
1 174 . 7 1 1 A 15 15 LEU CB C 15 40.769 43.607 -2.838 1
1 178 . 7 1 1 A 15 15 LEU N N 15 124.665 117.747 6.918 1
1 179 . 7 1 1 A 16 16 PRO HA H 16 4.325 4.408 -0.083 1
1 186 . 7 1 1 A 16 16 PRO CA C 16 63.358 63.291 0.067 1
1 187 . 7 1 1 A 16 16 PRO CB C 16 31.187 32.346 -1.159 1
1 190 . 7 1 1 A 17 17 ASN H H 17 8.682 9.015 -0.333 1
1 191 . 7 1 1 A 17 17 ASN HA H 17 4.586 4.376 0.210 1
1 196 . 7 1 1 A 17 17 ASN C C 17 174.691 174.656 0.035 1
1 197 . 7 1 1 A 17 17 ASN CA C 17 52.745 55.247 -2.502 1
1 198 . 7 1 1 A 17 17 ASN CB C 17 36.762 36.834 -0.072 1
1 199 . 7 1 1 A 17 17 ASN N N 17 114.315 114.269 0.046 1
1 201 . 7 1 1 A 18 18 ALA H H 18 7.283 7.985 -0.702 1
1 202 . 7 1 1 A 18 18 ALA HA H 18 4.569 4.359 0.210 1
1 206 . 7 1 1 A 18 18 ALA C C 18 174.041 177.071 -3.030 1
1 207 . 7 1 1 A 18 18 ALA CA C 18 51.618 53.325 -1.707 1
1 208 . 7 1 1 A 18 18 ALA CB C 18 20.698 19.597 1.101 1
1 209 . 7 1 1 A 18 18 ALA N N 18 121.620 123.499 -1.879 1
1 210 . 7 1 1 A 19 19 SER H H 19 8.744 9.296 -0.552 1
1 211 . 7 1 1 A 19 19 SER HA H 19 4.479 5.093 -0.614 1
1 214 . 7 1 1 A 19 19 SER C C 19 169.984 172.193 -2.209 1
1 215 . 7 1 1 A 19 19 SER CA C 19 56.634 56.321 0.313 1
1 216 . 7 1 1 A 19 19 SER CB C 19 65.044 65.744 -0.700 1
1 217 . 7 1 1 A 19 19 SER N N 19 113.995 117.531 -3.536 1
1 218 . 7 1 1 A 20 20 PHE H H 20 7.753 8.063 -0.310 1
1 219 . 7 1 1 A 20 20 PHE HA H 20 3.514 4.278 -0.764 1
1 226 . 7 1 1 A 20 20 PHE C C 20 172.635 174.520 -1.885 1
1 227 . 7 1 1 A 20 20 PHE CA C 20 58.070 59.158 -1.088 1
1 228 . 7 1 1 A 20 20 PHE CB C 20 37.588 39.342 -1.754 1
1 233 . 7 1 1 A 20 20 PHE N N 20 124.690 126.762 -2.072 1
1 234 . 7 1 1 A 21 21 ASP H H 21 8.288 8.204 0.084 1
1 235 . 7 1 1 A 21 21 ASP HA H 21 4.351 4.747 -0.396 1
1 238 . 7 1 1 A 21 21 ASP CA C 21 51.826 53.422 -1.596 1
1 239 . 7 1 1 A 21 21 ASP CB C 21 38.598 44.934 -6.336 1
1 240 . 7 1 1 A 21 21 ASP N N 21 127.080 126.663 0.417 1
1 241 . 7 1 1 A 22 22 ASN HA H 22 3.766 4.570 -0.804 1
1 246 . 7 1 1 A 22 22 ASN C C 22 171.688 174.871 -3.183 1
1 247 . 7 1 1 A 22 22 ASN CA C 22 54.954 53.105 1.849 1
1 248 . 7 1 1 A 22 22 ASN CB C 22 37.641 37.498 0.143 1
1 250 . 7 1 1 A 23 23 PHE H H 23 5.484 7.702 -2.218 1
1 251 . 7 1 1 A 23 23 PHE HA H 23 4.804 4.577 0.227 1
1 259 . 7 1 1 A 23 23 PHE C C 23 169.768 174.853 -5.085 1
1 260 . 7 1 1 A 23 23 PHE CA C 23 54.649 57.430 -2.781 1
1 261 . 7 1 1 A 23 23 PHE CB C 23 39.850 39.571 0.279 1
1 267 . 7 1 1 A 23 23 PHE N N 23 112.858 117.680 -4.822 1
1 268 . 7 1 1 A 24 24 LYS H H 24 8.329 8.906 -0.577 1
1 269 . 7 1 1 A 24 24 LYS HA H 24 3.719 3.893 -0.174 1
1 278 . 7 1 1 A 24 24 LYS C C 24 171.959 175.883 -3.924 1
1 279 . 7 1 1 A 24 24 LYS CA C 24 53.756 54.647 -0.891 1
1 280 . 7 1 1 A 24 24 LYS CB C 24 36.279 33.324 2.955 1
1 284 . 7 1 1 A 24 24 LYS N N 24 119.724 122.630 -2.906 1
1 285 . 7 1 1 A 25 25 LEU H H 25 9.144 8.375 0.769 1
1 286 . 7 1 1 A 25 25 LEU HA H 25 5.462 5.591 -0.129 1
1 296 . 7 1 1 A 25 25 LEU C C 25 174.609 175.600 -0.991 1
1 297 . 7 1 1 A 25 25 LEU CA C 25 53.208 52.751 0.457 1
1 298 . 7 1 1 A 25 25 LEU CB C 25 41.419 45.900 -4.481 1
1 302 . 7 1 1 A 25 25 LEU N N 25 126.849 120.964 5.885 1
1 303 . 7 1 1 A 26 26 THR H H 26 8.956 8.874 0.082 1
1 304 . 7 1 1 A 26 26 THR HA H 26 4.471 5.254 -0.783 1
1 309 . 7 1 1 A 26 26 THR C C 26 169.524 172.954 -3.430 1
1 310 . 7 1 1 A 26 26 THR CA C 26 58.769 59.714 -0.945 1
1 311 . 7 1 1 A 26 26 THR CB C 26 69.971 72.687 -2.716 1
1 313 . 7 1 1 A 26 26 THR N N 26 113.907 109.895 4.012 1
1 314 . 7 1 1 A 27 27 CYS H H 27 8.507 8.649 -0.142 1
1 315 . 7 1 1 A 27 27 CYS HA H 27 4.509 4.838 -0.329 1
1 318 . 7 1 1 A 27 27 CYS C C 27 169.984 173.823 -3.839 1
1 319 . 7 1 1 A 27 27 CYS CA C 27 57.948 57.798 0.150 1
1 320 . 7 1 1 A 27 27 CYS CB C 27 29.529 30.512 -0.983 1
1 321 . 7 1 1 A 27 27 CYS N N 27 120.842 119.398 1.444 1
1 322 . 7 1 1 A 28 28 SER H H 28 9.044 8.640 0.404 1
1 323 . 7 1 1 A 28 28 SER HA H 28 4.140 4.251 -0.111 1
1 326 . 7 1 1 A 28 28 SER C C 28 172.716 175.476 -2.760 1
1 327 . 7 1 1 A 28 28 SER CA C 28 60.986 61.891 -0.905 1
1 328 . 7 1 1 A 28 28 SER CB C 28 61.437 62.959 -1.522 1
1 329 . 7 1 1 A 28 28 SER N N 28 124.898 118.935 5.963 1
1 330 . 7 1 1 A 29 29 ASN H H 29 7.825 7.472 0.353 1
1 331 . 7 1 1 A 29 29 ASN HA H 29 4.951 4.794 0.157 1
1 336 . 7 1 1 A 29 29 ASN C C 29 171.688 175.912 -4.224 1
1 337 . 7 1 1 A 29 29 ASN CA C 29 52.155 52.975 -0.820 1
1 338 . 7 1 1 A 29 29 ASN CB C 29 36.980 39.076 -2.096 1
1 339 . 7 1 1 A 29 29 ASN N N 29 121.001 117.794 3.207 1
1 341 . 7 1 1 A 30 30 THR H H 30 8.062 8.706 -0.644 1
1 342 . 7 1 1 A 30 30 THR HA H 30 3.901 4.031 -0.130 1
1 347 . 7 1 1 A 30 30 THR C C 30 173.338 176.825 -3.487 1
1 348 . 7 1 1 A 30 30 THR CA C 30 64.874 66.351 -1.477 1
1 349 . 7 1 1 A 30 30 THR CB C 30 67.715 68.656 -0.941 1
1 351 . 7 1 1 A 30 30 THR N N 30 119.799 118.960 0.839 1
1 352 . 7 1 1 A 31 31 LYS H H 31 8.015 8.258 -0.243 1
1 353 . 7 1 1 A 31 31 LYS HA H 31 4.119 3.942 0.177 1
1 362 . 7 1 1 A 31 31 LYS C C 31 174.231 178.471 -4.240 1
1 363 . 7 1 1 A 31 31 LYS CA C 31 58.286 59.443 -1.157 1
1 364 . 7 1 1 A 31 31 LYS CB C 31 31.547 32.285 -0.738 1
1 368 . 7 1 1 A 31 31 LYS N N 31 122.845 122.734 0.111 1
1 369 . 7 1 1 A 32 32 PHE H H 32 7.739 8.473 -0.734 1
1 370 . 7 1 1 A 32 32 PHE HA H 32 4.652 4.281 0.371 1
1 378 . 7 1 1 A 32 32 PHE C C 32 174.691 177.487 -2.796 1
1 379 . 7 1 1 A 32 32 PHE CA C 32 59.954 61.963 -2.009 1
1 380 . 7 1 1 A 32 32 PHE CB C 32 38.444 39.444 -1.000 1
1 386 . 7 1 1 A 32 32 PHE N N 32 120.100 120.959 -0.859 1
1 387 . 7 1 1 A 33 33 ALA H H 33 6.955 8.023 -1.068 1
1 388 . 7 1 1 A 33 33 ALA HA H 33 3.555 4.101 -0.546 1
1 392 . 7 1 1 A 33 33 ALA C C 33 175.502 179.622 -4.120 1
1 393 . 7 1 1 A 33 33 ALA CA C 33 54.703 54.939 -0.236 1
1 394 . 7 1 1 A 33 33 ALA CB C 33 17.085 18.303 -1.218 1
1 395 . 7 1 1 A 33 33 ALA N N 33 116.140 120.927 -4.787 1
1 396 . 7 1 1 A 34 34 ASP H H 34 8.795 8.231 0.564 1
1 397 . 7 1 1 A 34 34 ASP HA H 34 4.367 4.454 -0.087 1
1 400 . 7 1 1 A 34 34 ASP C C 34 176.854 178.219 -1.365 1
1 401 . 7 1 1 A 34 34 ASP CA C 34 56.911 57.617 -0.706 1
1 402 . 7 1 1 A 34 34 ASP CB C 34 39.495 41.424 -1.929 1
1 403 . 7 1 1 A 34 34 ASP N N 34 118.170 118.677 -0.507 1
1 404 . 7 1 1 A 35 35 ASP H H 35 8.791 8.472 0.319 1
1 405 . 7 1 1 A 35 35 ASP HA H 35 4.360 4.404 -0.044 1
1 408 . 7 1 1 A 35 35 ASP C C 35 177.233 178.778 -1.545 1
1 409 . 7 1 1 A 35 35 ASP CA C 35 56.890 57.715 -0.825 1
1 410 . 7 1 1 A 35 35 ASP CB C 35 39.291 41.464 -2.173 1
1 411 . 7 1 1 A 35 35 ASP N N 35 121.921 119.877 2.044 1
1 412 . 7 1 1 A 36 36 LEU H H 36 7.792 8.087 -0.295 1
1 413 . 7 1 1 A 36 36 LEU HA H 36 4.162 3.935 0.227 1
1 423 . 7 1 1 A 36 36 LEU C C 36 176.097 179.229 -3.132 1
1 424 . 7 1 1 A 36 36 LEU CA C 36 57.508 57.763 -0.255 1
1 425 . 7 1 1 A 36 36 LEU CB C 36 41.523 41.388 0.135 1
1 429 . 7 1 1 A 36 36 LEU N N 36 121.822 120.280 1.542 1
1 430 . 7 1 1 A 37 37 ASN H H 37 9.015 8.689 0.326 1
1 431 . 7 1 1 A 37 37 ASN HA H 37 4.733 4.749 -0.016 1
1 436 . 7 1 1 A 37 37 ASN C C 37 176.232 178.555 -2.323 1
1 437 . 7 1 1 A 37 37 ASN CA C 37 54.288 56.528 -2.240 1
1 438 . 7 1 1 A 37 37 ASN CB C 37 37.337 37.935 -0.598 1
1 439 . 7 1 1 A 37 37 ASN N N 37 116.904 117.875 -0.971 1
1 441 . 7 1 1 A 38 38 GLN H H 38 8.218 8.012 0.206 1
1 442 . 7 1 1 A 38 38 GLN HA H 38 4.074 4.113 -0.039 1
1 447 . 7 1 1 A 38 38 GLN C C 38 175.773 178.808 -3.035 1
1 448 . 7 1 1 A 38 38 GLN CA C 38 58.134 59.108 -0.974 1
1 449 . 7 1 1 A 38 38 GLN CB C 38 27.676 28.353 -0.677 1
1 451 . 7 1 1 A 38 38 GLN N N 38 121.443 119.775 1.668 1
1 452 . 7 1 1 A 39 39 MET H H 39 7.487 8.105 -0.618 1
1 453 . 7 1 1 A 39 39 MET HA H 39 3.967 4.248 -0.281 1
1 461 . 7 1 1 A 39 39 MET C C 39 176.259 178.237 -1.978 1
1 462 . 7 1 1 A 39 39 MET CA C 39 58.374 58.159 0.215 1
1 463 . 7 1 1 A 39 39 MET CB C 39 33.000 33.120 -0.120 1
1 466 . 7 1 1 A 39 39 MET N N 39 118.793 118.934 -0.141 1
1 467 . 7 1 1 A 40 40 THR H H 40 7.873 7.659 0.214 1
1 468 . 7 1 1 A 40 40 THR HA H 40 3.769 4.038 -0.269 1
1 473 . 7 1 1 A 40 40 THR C C 40 173.906 175.815 -1.909 1
1 474 . 7 1 1 A 40 40 THR CA C 40 61.739 63.074 -1.335 1
1 475 . 7 1 1 A 40 40 THR CB C 40 68.427 69.996 -1.569 1
1 477 . 7 1 1 A 40 40 THR N N 40 108.945 108.880 0.065 1
1 478 . 7 1 1 A 41 41 GLY H H 41 7.199 7.957 -0.758 1
1 479 . 7 1 1 A 41 41 GLY HA2 H 41 3.899 3.914 -0.015 1
1 480 . 7 1 1 A 41 41 GLY HA3 H 41 3.662 3.961 -0.299 1
1 481 . 7 1 1 A 41 41 GLY C C 41 171.661 174.384 -2.723 1
1 482 . 7 1 1 A 41 41 GLY CA C 41 44.926 45.645 -0.719 1
1 483 . 7 1 1 A 41 41 GLY N N 41 106.430 111.245 -4.815 1
1 484 . 7 1 1 A 42 42 PHE H H 42 7.876 7.926 -0.050 1
1 485 . 7 1 1 A 42 42 PHE HA H 42 4.682 4.509 0.173 1
1 493 . 7 1 1 A 42 42 PHE C C 42 171.499 174.772 -3.273 1
1 494 . 7 1 1 A 42 42 PHE CA C 42 57.793 59.389 -1.596 1
1 495 . 7 1 1 A 42 42 PHE CB C 42 39.422 39.798 -0.376 1
1 501 . 7 1 1 A 42 42 PHE N N 42 122.221 122.015 0.206 1
1 502 . 7 1 1 A 43 43 THR H H 43 8.418 8.290 0.128 1
1 503 . 7 1 1 A 43 43 THR HA H 43 3.665 4.122 -0.457 1
1 508 . 7 1 1 A 43 43 THR C C 43 168.767 173.331 -4.564 1
1 509 . 7 1 1 A 43 43 THR CA C 43 59.002 60.402 -1.400 1
1 510 . 7 1 1 A 43 43 THR CB C 43 70.919 72.249 -1.330 1
1 512 . 7 1 1 A 43 43 THR N N 43 123.470 122.375 1.095 1
1 513 . 7 1 1 A 44 44 LYS H H 44 7.999 8.082 -0.083 1
1 514 . 7 1 1 A 44 44 LYS HA H 44 3.924 4.670 -0.746 1
1 523 . 7 1 1 A 44 44 LYS CA C 44 54.785 54.756 0.029 1
1 524 . 7 1 1 A 44 44 LYS CB C 44 31.047 31.481 -0.434 1
1 528 . 7 1 1 A 44 44 LYS N N 44 124.728 125.931 -1.203 1
1 529 . 7 1 1 A 45 45 PRO HA H 45 4.581 4.572 0.009 1
1 536 . 7 1 1 A 45 45 PRO C C 45 172.770 176.891 -4.121 1
1 537 . 7 1 1 A 45 45 PRO CA C 45 60.970 62.509 -1.539 1
1 538 . 7 1 1 A 45 45 PRO CB C 45 33.754 32.455 1.299 1
1 541 . 7 1 1 A 46 46 ALA H H 46 8.715 8.542 0.173 1
1 542 . 7 1 1 A 46 46 ALA HA H 46 4.674 4.756 -0.082 1
1 546 . 7 1 1 A 46 46 ALA C C 46 175.827 178.049 -2.222 1
1 547 . 7 1 1 A 46 46 ALA CA C 46 50.851 52.224 -1.373 1
1 548 . 7 1 1 A 46 46 ALA CB C 46 20.458 18.900 1.558 1
1 549 . 7 1 1 A 46 46 ALA N N 46 123.249 124.974 -1.725 1
1 550 . 7 1 1 A 47 47 SER H H 47 8.518 8.456 0.062 1
1 551 . 7 1 1 A 47 47 SER HA H 47 4.202 4.329 -0.127 1
1 554 . 7 1 1 A 47 47 SER C C 47 171.769 174.274 -2.505 1
1 555 . 7 1 1 A 47 47 SER CA C 47 58.740 60.676 -1.936 1
1 556 . 7 1 1 A 47 47 SER CB C 47 62.419 63.356 -0.937 1
1 557 . 7 1 1 A 47 47 SER N N 47 117.696 118.789 -1.093 1
1 558 . 7 1 1 A 48 48 ARG H H 48 7.276 7.656 -0.380 1
1 559 . 7 1 1 A 48 48 ARG HA H 48 4.466 4.792 -0.326 1
1 566 . 7 1 1 A 48 48 ARG C C 48 170.417 173.606 -3.189 1
1 567 . 7 1 1 A 48 48 ARG CA C 48 54.164 54.567 -0.403 1
1 568 . 7 1 1 A 48 48 ARG CB C 48 29.775 33.686 -3.911 1
1 571 . 7 1 1 A 48 48 ARG N N 48 115.830 116.519 -0.689 1
1 572 . 7 1 1 A 49 49 GLU H H 49 8.681 8.792 -0.111 1
1 573 . 7 1 1 A 49 49 GLU HA H 49 5.373 5.060 0.313 1
1 578 . 7 1 1 A 49 49 GLU C C 49 172.716 175.201 -2.485 1
1 579 . 7 1 1 A 49 49 GLU CA C 49 53.744 55.296 -1.552 1
1 580 . 7 1 1 A 49 49 GLU CB C 49 32.057 31.195 0.862 1
1 582 . 7 1 1 A 49 49 GLU N N 49 119.800 120.091 -0.291 1
1 583 . 7 1 1 A 50 50 LEU H H 50 8.720 9.083 -0.363 1
1 584 . 7 1 1 A 50 50 LEU HA H 50 4.821 4.804 0.017 1
1 594 . 7 1 1 A 50 50 LEU C C 50 171.932 176.462 -4.530 1
1 595 . 7 1 1 A 50 50 LEU CA C 50 52.447 53.798 -1.351 1
1 596 . 7 1 1 A 50 50 LEU CB C 50 44.748 42.480 2.268 1
1 600 . 7 1 1 A 50 50 LEU N N 50 124.747 126.662 -1.915 1
1 601 . 7 1 1 A 51 51 SER H H 51 9.560 8.668 0.892 1
1 602 . 7 1 1 A 51 51 SER HA H 51 4.881 4.877 0.004 1
1 605 . 7 1 1 A 51 51 SER C C 51 171.769 173.692 -1.923 1
1 606 . 7 1 1 A 51 51 SER CA C 51 55.707 58.398 -2.691 1
1 607 . 7 1 1 A 51 51 SER CB C 51 64.701 64.097 0.604 1
1 608 . 7 1 1 A 51 51 SER N N 51 119.156 121.286 -2.130 1
1 609 . 7 1 1 A 52 52 VAL H H 52 8.416 8.671 -0.255 1
1 610 . 7 1 1 A 52 52 VAL HA H 52 5.196 5.162 0.034 1
1 618 . 7 1 1 A 52 52 VAL CA C 52 59.207 60.580 -1.373 1
1 619 . 7 1 1 A 52 52 VAL CB C 52 33.156 34.934 -1.778 1
1 622 . 7 1 1 A 52 52 VAL N N 52 121.797 124.579 -2.782 1
1 623 . 7 1 1 A 53 53 THR H H 53 8.383 8.762 -0.379 1
1 624 . 7 1 1 A 53 53 THR HA H 53 4.358 5.091 -0.733 1
1 629 . 7 1 1 A 53 53 THR C C 53 169.741 173.060 -3.319 1
1 630 . 7 1 1 A 53 53 THR CA C 53 58.375 59.262 -0.887 1
1 631 . 7 1 1 A 53 53 THR CB C 53 70.707 71.769 -1.062 1
1 633 . 7 1 1 A 53 53 THR N N 53 117.287 117.078 0.209 1
1 634 . 7 1 1 A 54 54 PHE H H 54 8.737 9.024 -0.287 1
1 635 . 7 1 1 A 54 54 PHE HA H 54 4.536 4.676 -0.140 1
1 643 . 7 1 1 A 54 54 PHE C C 54 172.986 175.823 -2.837 1
1 644 . 7 1 1 A 54 54 PHE CA C 54 57.064 56.840 0.224 1
1 645 . 7 1 1 A 54 54 PHE CB C 54 38.755 39.812 -1.057 1
1 651 . 7 1 1 A 54 54 PHE N N 54 118.180 122.555 -4.375 1
1 652 . 7 1 1 A 55 55 PHE H H 55 9.167 8.827 0.340 1
1 653 . 7 1 1 A 55 55 PHE HA H 55 3.715 4.546 -0.831 1
1 660 . 7 1 1 A 55 55 PHE CA C 55 57.908 57.042 0.866 1
1 661 . 7 1 1 A 55 55 PHE CB C 55 39.594 38.788 0.806 1
1 666 . 7 1 1 A 55 55 PHE N N 55 128.290 123.827 4.463 1
1 667 . 7 1 1 A 56 56 PRO HA H 56 2.356 3.678 -1.322 1
1 674 . 7 1 1 A 56 56 PRO C C 56 171.012 174.745 -3.733 1
1 675 . 7 1 1 A 56 56 PRO CA C 56 62.611 61.767 0.844 1
1 676 . 7 1 1 A 56 56 PRO CB C 56 32.522 29.648 2.874 1
1 679 . 7 1 1 A 57 57 ASP H H 57 9.009 8.513 0.496 1
1 680 . 7 1 1 A 57 57 ASP HA H 57 4.289 4.764 -0.475 1
1 683 . 7 1 1 A 57 57 ASP C C 57 173.257 174.837 -1.580 1
1 684 . 7 1 1 A 57 57 ASP CA C 57 53.752 53.374 0.378 1
1 685 . 7 1 1 A 57 57 ASP CB C 57 40.067 43.155 -3.088 1
1 686 . 7 1 1 A 57 57 ASP N N 57 127.876 122.548 5.328 1
1 687 . 7 1 1 A 58 58 LEU H H 58 8.368 8.493 -0.125 1
1 688 . 7 1 1 A 58 58 LEU HA H 58 4.229 4.754 -0.525 1
1 698 . 7 1 1 A 58 58 LEU C C 58 174.285 177.191 -2.906 1
1 699 . 7 1 1 A 58 58 LEU CA C 58 52.468 53.384 -0.916 1
1 700 . 7 1 1 A 58 58 LEU CB C 58 40.258 41.656 -1.398 1
1 704 . 7 1 1 A 58 58 LEU N N 58 128.010 121.126 6.884 1
1 705 . 7 1 1 A 59 59 ASN H H 59 8.430 7.938 0.492 1
1 706 . 7 1 1 A 59 59 ASN HA H 59 4.198 4.876 -0.678 1
1 711 . 7 1 1 A 59 59 ASN C C 59 173.636 175.699 -2.063 1
1 712 . 7 1 1 A 59 59 ASN CA C 59 54.945 53.583 1.362 1
1 713 . 7 1 1 A 59 59 ASN CB C 59 38.175 39.492 -1.317 1
1 714 . 7 1 1 A 59 59 ASN N N 59 116.745 117.724 -0.979 1
1 716 . 7 1 1 A 60 60 GLY H H 60 8.083 7.819 0.264 1
1 717 . 7 1 1 A 60 60 GLY HA2 H 60 3.766 4.015 -0.249 1
1 718 . 7 1 1 A 60 60 GLY HA3 H 60 3.326 4.030 -0.704 1
1 719 . 7 1 1 A 60 60 GLY C C 60 169.876 174.898 -5.022 1
1 720 . 7 1 1 A 60 60 GLY CA C 60 44.285 44.982 -0.697 1
1 721 . 7 1 1 A 60 60 GLY N N 60 110.045 107.726 2.319 1
1 722 . 7 1 1 A 61 61 ASP H H 61 8.084 8.913 -0.829 1
1 723 . 7 1 1 A 61 61 ASP HA H 61 4.200 4.460 -0.260 1
1 726 . 7 1 1 A 61 61 ASP C C 61 172.283 175.787 -3.504 1
1 727 . 7 1 1 A 61 61 ASP CA C 61 56.865 56.163 0.702 1
1 728 . 7 1 1 A 61 61 ASP CB C 61 42.113 41.050 1.063 1
1 729 . 7 1 1 A 61 61 ASP N N 61 121.395 120.262 1.133 1
1 730 . 7 1 1 A 62 62 VAL H H 62 8.387 7.855 0.532 1
1 731 . 7 1 1 A 62 62 VAL HA H 62 4.096 4.629 -0.533 1
1 739 . 7 1 1 A 62 62 VAL C C 62 171.255 174.465 -3.210 1
1 740 . 7 1 1 A 62 62 VAL CA C 62 58.914 60.127 -1.213 1
1 741 . 7 1 1 A 62 62 VAL CB C 62 34.433 35.502 -1.069 1
1 744 . 7 1 1 A 62 62 VAL N N 62 117.701 117.035 0.666 1
1 745 . 7 1 1 A 63 63 VAL H H 63 8.251 8.493 -0.242 1
1 746 . 7 1 1 A 63 63 VAL HA H 63 4.637 5.010 -0.373 1
1 754 . 7 1 1 A 63 63 VAL C C 63 171.282 174.757 -3.475 1
1 755 . 7 1 1 A 63 63 VAL CA C 63 59.233 60.135 -0.902 1
1 756 . 7 1 1 A 63 63 VAL CB C 63 33.531 34.533 -1.002 1
1 759 . 7 1 1 A 63 63 VAL N N 63 125.341 124.270 1.071 1
1 760 . 7 1 1 A 64 64 ALA H H 64 9.316 8.957 0.359 1
1 761 . 7 1 1 A 64 64 ALA HA H 64 5.036 5.225 -0.189 1
1 765 . 7 1 1 A 64 64 ALA C C 64 173.825 175.811 -1.986 1
1 766 . 7 1 1 A 64 64 ALA CA C 64 49.059 50.597 -1.538 1
1 767 . 7 1 1 A 64 64 ALA CB C 64 20.323 22.310 -1.987 1
1 768 . 7 1 1 A 64 64 ALA N N 64 128.526 126.235 2.291 1
1 769 . 7 1 1 A 65 65 ILE H H 65 9.451 9.387 0.064 1
1 770 . 7 1 1 A 65 65 ILE HA H 65 4.475 4.713 -0.238 1
1 780 . 7 1 1 A 65 65 ILE C C 65 172.121 175.057 -2.936 1
1 781 . 7 1 1 A 65 65 ILE CA C 65 56.490 59.611 -3.121 1
1 782 . 7 1 1 A 65 65 ILE CB C 65 37.474 41.411 -3.937 1
1 786 . 7 1 1 A 65 65 ILE N N 65 126.677 121.719 4.958 1
1 787 . 7 1 1 A 66 66 ASP H H 66 9.165 8.748 0.417 1
1 788 . 7 1 1 A 66 66 ASP HA H 66 4.045 4.702 -0.657 1
1 791 . 7 1 1 A 66 66 ASP C C 66 174.663 176.833 -2.170 1
1 792 . 7 1 1 A 66 66 ASP CA C 66 54.199 54.643 -0.444 1
1 793 . 7 1 1 A 66 66 ASP CB C 66 42.211 41.288 0.923 1
1 794 . 7 1 1 A 66 66 ASP N N 66 128.723 124.991 3.732 1
1 795 . 7 1 1 A 67 67 TYR H H 67 8.919 8.941 -0.022 1
1 796 . 7 1 1 A 67 67 TYR HA H 67 4.344 4.353 -0.009 1
1 801 . 7 1 1 A 67 67 TYR C C 67 173.257 177.225 -3.968 1
1 802 . 7 1 1 A 67 67 TYR CA C 67 59.614 61.808 -2.194 1
1 803 . 7 1 1 A 67 67 TYR CB C 67 39.338 38.946 0.392 1
1 806 . 7 1 1 A 67 67 TYR N N 67 127.739 121.453 6.286 1
1 807 . 7 1 1 A 68 68 ARG H H 68 9.459 8.507 0.952 1
1 808 . 7 1 1 A 68 68 ARG HA H 68 3.923 4.057 -0.134 1
1 815 . 7 1 1 A 68 68 ARG C C 68 174.150 177.202 -3.052 1
1 816 . 7 1 1 A 68 68 ARG CA C 68 57.691 58.371 -0.680 1
1 817 . 7 1 1 A 68 68 ARG CB C 68 27.945 29.725 -1.780 1
1 820 . 7 1 1 A 68 68 ARG N N 68 121.666 118.109 3.557 1
1 821 . 7 1 1 A 69 69 HIS H H 69 8.146 7.881 0.265 1
1 822 . 7 1 1 A 69 69 HIS HA H 69 4.538 4.488 0.050 1
1 826 . 7 1 1 A 69 69 HIS C C 69 171.391 175.027 -3.636 1
1 827 . 7 1 1 A 69 69 HIS CA C 69 55.405 57.014 -1.609 1
1 828 . 7 1 1 A 69 69 HIS CB C 69 29.458 29.588 -0.130 1
1 830 . 7 1 1 A 69 69 HIS N N 69 117.372 117.129 0.243 1
1 831 . 7 1 1 A 70 70 TYR H H 70 7.468 7.479 -0.011 1
1 832 . 7 1 1 A 70 70 TYR HA H 70 3.431 3.418 0.013 1
1 839 . 7 1 1 A 70 70 TYR C C 70 171.904 174.093 -2.189 1
1 840 . 7 1 1 A 70 70 TYR CA C 70 60.020 55.473 4.547 1
1 841 . 7 1 1 A 70 70 TYR CB C 70 37.554 36.629 0.925 1
1 846 . 7 1 1 A 70 70 TYR N N 70 121.636 122.001 -0.365 1
1 847 . 7 1 1 A 71 71 SER H H 71 5.657 8.884 -3.227 1
1 848 . 7 1 1 A 71 71 SER HA H 71 3.958 4.478 -0.520 1
1 851 . 7 1 1 A 71 71 SER C C 71 170.390 175.314 -4.924 1
1 852 . 7 1 1 A 71 71 SER CA C 71 55.267 56.932 -1.665 1
1 853 . 7 1 1 A 71 71 SER CB C 71 64.410 64.404 0.006 1
1 854 . 7 1 1 A 71 71 SER N N 71 120.240 123.472 -3.232 1
1 855 . 7 1 1 A 72 72 ALA H H 72 8.461 8.855 -0.394 1
1 856 . 7 1 1 A 72 72 ALA HA H 72 3.757 3.793 -0.036 1
1 860 . 7 1 1 A 72 72 ALA CA C 72 54.250 55.132 -0.882 1
1 861 . 7 1 1 A 72 72 ALA CB C 72 17.423 18.223 -0.800 1
1 862 . 7 1 1 A 72 72 ALA N N 72 123.497 128.895 -5.398 1
1 863 . 7 1 1 A 73 73 SER HA H 73 3.904 3.900 0.004 1
1 866 . 7 1 1 A 73 73 SER C C 73 172.500 175.246 -2.746 1
1 867 . 7 1 1 A 73 73 SER CA C 73 59.873 61.806 -1.933 1
1 868 . 7 1 1 A 73 73 SER CB C 73 61.769 62.640 -0.871 1
1 869 . 7 1 1 A 74 74 PHE H H 74 7.508 7.751 -0.243 1
1 870 . 7 1 1 A 74 74 PHE HA H 74 5.163 4.815 0.348 1
1 877 . 7 1 1 A 74 74 PHE C C 74 173.987 176.494 -2.507 1
1 878 . 7 1 1 A 74 74 PHE CA C 74 53.320 57.459 -4.139 1
1 879 . 7 1 1 A 74 74 PHE CB C 74 37.854 39.038 -1.184 1
1 884 . 7 1 1 A 74 74 PHE N N 74 118.853 117.160 1.693 1
1 885 . 7 1 1 A 75 75 LYS H H 75 7.245 8.042 -0.797 1
1 886 . 7 1 1 A 75 75 LYS HA H 75 4.200 4.135 0.065 1
1 895 . 7 1 1 A 75 75 LYS C C 75 173.717 176.954 -3.237 1
1 896 . 7 1 1 A 75 75 LYS CA C 75 59.003 58.215 0.788 1
1 897 . 7 1 1 A 75 75 LYS CB C 75 31.846 32.092 -0.246 1
1 901 . 7 1 1 A 75 75 LYS N N 75 121.129 118.852 2.277 1
1 902 . 7 1 1 A 76 76 LYS H H 76 7.841 7.654 0.187 1
1 903 . 7 1 1 A 76 76 LYS HA H 76 3.738 2.209 1.529 1
1 912 . 7 1 1 A 76 76 LYS C C 76 170.200 175.503 -5.303 1
1 913 . 7 1 1 A 76 76 LYS CA C 76 55.114 54.821 0.293 1
1 914 . 7 1 1 A 76 76 LYS CB C 76 32.393 32.008 0.385 1
1 918 . 7 1 1 A 76 76 LYS N N 76 114.423 117.416 -2.993 1
1 919 . 7 1 1 A 77 77 GLY H H 77 7.239 7.289 -0.050 1
1 920 . 7 1 1 A 77 77 GLY HA2 H 77 3.737 4.027 -0.290 1
1 921 . 7 1 1 A 77 77 GLY HA3 H 77 4.771 4.035 0.736 1
1 922 . 7 1 1 A 77 77 GLY C C 77 170.795 172.352 -1.557 1
1 923 . 7 1 1 A 77 77 GLY CA C 77 43.770 44.068 -0.298 1
1 924 . 7 1 1 A 77 77 GLY N N 77 103.318 106.717 -3.399 1
1 925 . 7 1 1 A 78 78 ALA H H 78 6.868 8.141 -1.273 1
1 926 . 7 1 1 A 78 78 ALA HA H 78 4.982 5.100 -0.118 1
1 930 . 7 1 1 A 78 78 ALA C C 78 171.904 175.507 -3.603 1
1 931 . 7 1 1 A 78 78 ALA CA C 78 49.907 51.297 -1.390 1
1 932 . 7 1 1 A 78 78 ALA CB C 78 22.601 23.349 -0.748 1
1 933 . 7 1 1 A 78 78 ALA N N 78 117.057 120.524 -3.467 1
1 934 . 7 1 1 A 79 79 LYS H H 79 8.765 8.865 -0.100 1
1 935 . 7 1 1 A 79 79 LYS HA H 79 4.636 4.946 -0.310 1
1 944 . 7 1 1 A 79 79 LYS C C 79 171.039 174.362 -3.323 1
1 945 . 7 1 1 A 79 79 LYS CA C 79 54.485 54.106 0.379 1
1 946 . 7 1 1 A 79 79 LYS CB C 79 35.963 36.199 -0.236 1
1 950 . 7 1 1 A 79 79 LYS N N 79 117.018 116.814 0.204 1
1 951 . 7 1 1 A 80 80 LEU H H 80 8.782 8.960 -0.178 1
1 952 . 7 1 1 A 80 80 LEU HA H 80 4.459 4.504 -0.045 1
1 962 . 7 1 1 A 80 80 LEU C C 80 173.095 177.356 -4.261 1
1 963 . 7 1 1 A 80 80 LEU CA C 80 52.743 52.411 0.332 1
1 964 . 7 1 1 A 80 80 LEU CB C 80 42.494 43.705 -1.211 1
1 968 . 7 1 1 A 80 80 LEU N N 80 122.496 123.046 -0.550 1
1 969 . 7 1 1 A 81 81 LEU H H 81 8.636 8.605 0.031 1
1 970 . 7 1 1 A 81 81 LEU HA H 81 3.578 4.068 -0.490 1
1 980 . 7 1 1 A 81 81 LEU CA C 81 57.316 58.135 -0.819 1
1 981 . 7 1 1 A 81 81 LEU CB C 81 39.032 42.118 -3.086 1
1 985 . 7 1 1 A 81 81 LEU N N 81 125.060 125.895 -0.835 1
1 986 . 7 1 1 A 82 82 HIS H H 82 8.379 7.644 0.735 1
1 987 . 7 1 1 A 82 82 HIS HA H 82 4.551 4.806 -0.255 1
1 992 . 7 1 1 A 82 82 HIS C C 82 172.635 175.553 -2.918 1
1 993 . 7 1 1 A 82 82 HIS CA C 82 55.432 55.714 -0.282 1
1 994 . 7 1 1 A 82 82 HIS CB C 82 29.646 31.782 -2.136 1
1 997 . 7 1 1 A 82 82 HIS N N 82 114.387 111.312 3.075 1
1 998 . 7 1 1 A 83 83 LYS H H 83 8.023 6.911 1.112 1
1 999 . 7 1 1 A 83 83 LYS HA H 83 4.670 4.085 0.585 1
1 1008 . 7 1 1 A 83 83 LYS CA C 83 52.041 54.381 -2.340 1
1 1009 . 7 1 1 A 83 83 LYS CB C 83 32.741 31.202 1.539 1
1 1013 . 7 1 1 A 83 83 LYS N N 83 122.886 121.939 0.947 1
1 1014 . 7 1 1 A 84 84 PRO HA H 84 4.585 4.588 -0.003 1
1 1021 . 7 1 1 A 84 84 PRO C C 84 172.797 176.280 -3.483 1
1 1022 . 7 1 1 A 84 84 PRO CA C 84 62.050 62.557 -0.507 1
1 1023 . 7 1 1 A 84 84 PRO CB C 84 32.770 32.811 -0.041 1
1 1026 . 7 1 1 A 85 85 ILE H H 85 6.185 7.690 -1.505 1
1 1027 . 7 1 1 A 85 85 ILE HA H 85 5.743 5.401 0.342 1
1 1037 . 7 1 1 A 85 85 ILE C C 85 174.366 173.927 0.439 1
1 1038 . 7 1 1 A 85 85 ILE CA C 85 57.032 58.464 -1.432 1
1 1039 . 7 1 1 A 85 85 ILE CB C 85 41.265 42.222 -0.957 1
1 1043 . 7 1 1 A 85 85 ILE N N 85 107.777 115.894 -8.117 1
1 1044 . 7 1 1 A 86 86 VAL H H 86 7.552 8.592 -1.040 1
1 1045 . 7 1 1 A 86 86 VAL HA H 86 4.278 4.707 -0.429 1
1 1053 . 7 1 1 A 86 86 VAL CA C 86 59.345 58.582 0.763 1
1 1054 . 7 1 1 A 86 86 VAL CB C 86 34.990 35.959 -0.969 1
1 1057 . 7 1 1 A 86 86 VAL N N 86 109.584 115.369 -5.785 1
1 1058 . 7 1 1 A 87 87 TRP H H 87 10.036 8.615 1.421 1
1 1059 . 7 1 1 A 87 87 TRP HA H 87 6.158 5.809 0.349 1
1 1068 . 7 1 1 A 87 87 TRP C C 87 174.393 176.391 -1.998 1
1 1069 . 7 1 1 A 87 87 TRP CA C 87 55.238 55.346 -0.108 1
1 1070 . 7 1 1 A 87 87 TRP CB C 87 32.786 30.905 1.881 1
1 1076 . 7 1 1 A 87 87 TRP N N 87 122.256 121.694 0.562 1
1 1078 . 7 1 1 A 88 88 HIS H H 88 8.802 9.287 -0.485 1
1 1079 . 7 1 1 A 88 88 HIS HA H 88 5.383 6.107 -0.724 1
1 1085 . 7 1 1 A 88 88 HIS CA C 88 53.902 53.839 0.063 1
1 1086 . 7 1 1 A 88 88 HIS CB C 88 37.553 32.895 4.658 1
1 1089 . 7 1 1 A 88 88 HIS N N 88 116.636 121.007 -4.371 1
1 1090 . 7 1 1 A 89 89 ILE H H 89 9.197 8.716 0.481 1
1 1091 . 7 1 1 A 89 89 ILE HA H 89 4.022 4.320 -0.298 1
1 1101 . 7 1 1 A 89 89 ILE C C 89 174.582 176.201 -1.619 1
1 1102 . 7 1 1 A 89 89 ILE CA C 89 61.042 60.284 0.758 1
1 1103 . 7 1 1 A 89 89 ILE CB C 89 40.176 39.713 0.463 1
1 1107 . 7 1 1 A 89 89 ILE N N 89 118.669 121.728 -3.059 1
1 1108 . 7 1 1 A 90 90 ASN H H 90 9.688 8.782 0.906 1
1 1109 . 7 1 1 A 90 90 ASN HA H 90 4.281 4.275 0.006 1
1 1114 . 7 1 1 A 90 90 ASN C C 90 171.418 174.164 -2.746 1
1 1115 . 7 1 1 A 90 90 ASN CA C 90 53.724 53.838 -0.114 1
1 1116 . 7 1 1 A 90 90 ASN CB C 90 36.919 35.998 0.921 1
1 1117 . 7 1 1 A 90 90 ASN N N 90 128.710 125.682 3.028 1
1 1119 . 7 1 1 A 91 91 GLN H H 91 10.928 8.207 2.721 1
1 1120 . 7 1 1 A 91 91 GLN HA H 91 2.586 3.477 -0.891 1
1 1127 . 7 1 1 A 91 91 GLN C C 91 170.146 174.144 -3.998 1
1 1128 . 7 1 1 A 91 91 GLN CA C 91 55.444 57.054 -1.610 1
1 1129 . 7 1 1 A 91 91 GLN CB C 91 23.948 26.217 -2.269 1
1 1131 . 7 1 1 A 91 91 GLN N N 91 112.871 111.996 0.875 1
1 1133 . 7 1 1 A 92 92 ALA H H 92 7.692 7.266 0.426 1
1 1134 . 7 1 1 A 92 92 ALA HA H 92 4.979 5.210 -0.231 1
1 1138 . 7 1 1 A 92 92 ALA C C 92 174.068 175.272 -1.204 1
1 1139 . 7 1 1 A 92 92 ALA CA C 92 49.792 51.227 -1.435 1
1 1140 . 7 1 1 A 92 92 ALA CB C 92 21.832 23.858 -2.026 1
1 1141 . 7 1 1 A 92 92 ALA N N 92 118.287 118.548 -0.261 1
1 1142 . 7 1 1 A 93 93 THR H H 93 9.026 9.028 -0.002 1
1 1143 . 7 1 1 A 93 93 THR HA H 93 5.281 5.499 -0.218 1
1 1148 . 7 1 1 A 93 93 THR C C 93 170.768 173.316 -2.548 1
1 1149 . 7 1 1 A 93 93 THR CA C 93 58.597 59.892 -1.295 1
1 1150 . 7 1 1 A 93 93 THR CB C 93 70.855 72.331 -1.476 1
1 1152 . 7 1 1 A 93 93 THR N N 93 114.894 113.657 1.237 1
1 1153 . 7 1 1 A 94 94 THR H H 94 8.292 8.899 -0.607 1
1 1154 . 7 1 1 A 94 94 THR HA H 94 4.903 4.995 -0.092 1
1 1159 . 7 1 1 A 94 94 THR CA C 94 58.800 59.405 -0.605 1
1 1160 . 7 1 1 A 94 94 THR CB C 94 71.488 72.383 -0.895 1
1 1162 . 7 1 1 A 94 94 THR N N 94 119.907 117.867 2.040 1
1 1163 . 7 1 1 A 95 95 LYS HA H 95 4.056 4.113 -0.057 1
1 1172 . 7 1 1 A 95 95 LYS CA C 95 59.376 60.286 -0.910 1
1 1173 . 7 1 1 A 95 95 LYS CB C 95 31.083 32.337 -1.254 1
1 1177 . 7 1 1 A 96 96 THR H H 96 7.773 8.053 -0.280 1
1 1178 . 7 1 1 A 96 96 THR HA H 96 3.798 4.157 -0.359 1
1 1183 . 7 1 1 A 96 96 THR C C 96 171.850 176.691 -4.841 1
1 1184 . 7 1 1 A 96 96 THR CA C 96 64.506 66.801 -2.295 1
1 1185 . 7 1 1 A 96 96 THR CB C 96 68.405 68.395 0.010 1
1 1187 . 7 1 1 A 96 96 THR N N 96 113.841 118.061 -4.220 1
1 1188 . 7 1 1 A 97 97 THR H H 97 6.795 7.870 -1.075 1
1 1189 . 7 1 1 A 97 97 THR HA H 97 3.604 4.413 -0.809 1
1 1194 . 7 1 1 A 97 97 THR C C 97 171.959 176.638 -4.679 1
1 1195 . 7 1 1 A 97 97 THR CA C 97 61.209 63.977 -2.768 1
1 1196 . 7 1 1 A 97 97 THR CB C 97 67.962 69.211 -1.249 1
1 1198 . 7 1 1 A 97 97 THR N N 97 105.731 111.587 -5.856 1
1 1199 . 7 1 1 A 98 98 PHE H H 98 7.410 8.329 -0.919 1
1 1200 . 7 1 1 A 98 98 PHE HA H 98 4.220 4.143 0.077 1
1 1207 . 7 1 1 A 98 98 PHE C C 98 174.528 177.831 -3.303 1
1 1208 . 7 1 1 A 98 98 PHE CA C 98 61.879 61.496 0.383 1
1 1209 . 7 1 1 A 98 98 PHE CB C 98 38.875 39.239 -0.364 1
1 1214 . 7 1 1 A 98 98 PHE N N 98 126.402 123.927 2.475 1
1 1215 . 7 1 1 A 99 99 LYS H H 99 9.459 8.182 1.277 1
1 1216 . 7 1 1 A 99 99 LYS HA H 99 4.089 3.398 0.691 1
1 1225 . 7 1 1 A 99 99 LYS CA C 99 60.763 61.228 -0.465 1
1 1226 . 7 1 1 A 99 99 LYS CB C 99 28.635 30.992 -2.357 1
1 1230 . 7 1 1 A 99 99 LYS N N 99 121.490 117.619 3.871 1
1 1231 . 7 1 1 A 100 100 PRO HA H 100 4.922 4.571 0.351 1
1 1238 . 7 1 1 A 100 100 PRO C C 100 177.314 178.854 -1.540 1
1 1239 . 7 1 1 A 100 100 PRO CA C 100 66.173 65.507 0.666 1
1 1240 . 7 1 1 A 100 100 PRO CB C 100 31.535 30.547 0.988 1
1 1243 . 7 1 1 A 101 101 ASN H H 101 8.530 8.352 0.178 1
1 1244 . 7 1 1 A 101 101 ASN HA H 101 5.244 4.511 0.733 1
1 1249 . 7 1 1 A 101 101 ASN C C 101 175.204 177.685 -2.481 1
1 1250 . 7 1 1 A 101 101 ASN CA C 101 54.555 55.714 -1.159 1
1 1251 . 7 1 1 A 101 101 ASN CB C 101 36.187 37.813 -1.626 1
1 1252 . 7 1 1 A 101 101 ASN N N 101 115.238 115.629 -0.391 1
1 1254 . 7 1 1 A 102 102 THR H H 102 8.488 7.600 0.888 1
1 1255 . 7 1 1 A 102 102 THR HA H 102 4.184 3.965 0.219 1
1 1260 . 7 1 1 A 102 102 THR C C 102 171.472 176.073 -4.601 1
1 1261 . 7 1 1 A 102 102 THR CA C 102 67.543 65.333 2.210 1
1 1262 . 7 1 1 A 102 102 THR CB C 102 67.001 68.253 -1.252 1
1 1264 . 7 1 1 A 102 102 THR N N 102 120.254 111.377 8.877 1
1 1265 . 7 1 1 A 103 103 TRP H H 103 7.283 7.933 -0.650 1
1 1266 . 7 1 1 A 103 103 TRP HA H 103 3.986 4.504 -0.518 1
1 1275 . 7 1 1 A 103 103 TRP C C 103 175.800 177.337 -1.537 1
1 1276 . 7 1 1 A 103 103 TRP CA C 103 60.856 58.685 2.171 1
1 1277 . 7 1 1 A 103 103 TRP CB C 103 27.948 28.422 -0.474 1
1 1283 . 7 1 1 A 103 103 TRP N N 103 121.763 121.238 0.525 1
1 1285 . 7 1 1 A 104 104 CYS H H 104 8.233 7.914 0.319 1
1 1286 . 7 1 1 A 104 104 CYS HA H 104 4.272 4.454 -0.182 1
1 1289 . 7 1 1 A 104 104 CYS C C 104 176.259 176.836 -0.577 1
1 1290 . 7 1 1 A 104 104 CYS CA C 104 65.226 61.250 3.976 1
1 1291 . 7 1 1 A 104 104 CYS CB C 104 26.949 28.116 -1.167 1
1 1292 . 7 1 1 A 104 104 CYS N N 104 118.046 118.534 -0.488 1
1 1293 . 7 1 1 A 105 105 LEU H H 105 8.726 7.656 1.070 1
1 1294 . 7 1 1 A 105 105 LEU HA H 105 4.000 3.970 0.030 1
1 1304 . 7 1 1 A 105 105 LEU C C 105 176.205 178.855 -2.650 1
1 1305 . 7 1 1 A 105 105 LEU CA C 105 57.810 57.888 -0.078 1
1 1306 . 7 1 1 A 105 105 LEU CB C 105 40.484 41.308 -0.824 1
1 1310 . 7 1 1 A 105 105 LEU N N 105 120.557 121.289 -0.732 1
1 1311 . 7 1 1 A 106 106 ARG H H 106 6.990 8.041 -1.051 1
1 1312 . 7 1 1 A 106 106 ARG HA H 106 2.054 2.696 -0.642 1
1 1319 . 7 1 1 A 106 106 ARG C C 106 177.179 177.570 -0.391 1
1 1320 . 7 1 1 A 106 106 ARG CA C 106 57.405 57.852 -0.447 1
1 1321 . 7 1 1 A 106 106 ARG CB C 106 29.269 29.339 -0.070 1
1 1324 . 7 1 1 A 106 106 ARG N N 106 118.050 117.743 0.307 1
1 1325 . 7 1 1 A 107 107 CYS H H 107 7.623 7.793 -0.170 1
1 1326 . 7 1 1 A 107 107 CYS HA H 107 4.031 4.336 -0.305 1
1 1329 . 7 1 1 A 107 107 CYS C C 107 172.337 177.098 -4.761 1
1 1330 . 7 1 1 A 107 107 CYS CA C 107 63.291 61.328 1.963 1
1 1331 . 7 1 1 A 107 107 CYS CB C 107 26.214 27.374 -1.160 1
1 1332 . 7 1 1 A 107 107 CYS N N 107 117.028 118.693 -1.665 1
1 1333 . 7 1 1 A 108 108 LEU H H 108 7.484 7.419 0.065 1
1 1334 . 7 1 1 A 108 108 LEU HA H 108 4.159 4.069 0.090 1
1 1344 . 7 1 1 A 108 108 LEU C C 108 174.582 177.632 -3.050 1
1 1345 . 7 1 1 A 108 108 LEU CA C 108 54.203 56.761 -2.558 1
1 1346 . 7 1 1 A 108 108 LEU CB C 108 41.621 41.875 -0.254 1
1 1350 . 7 1 1 A 108 108 LEU N N 108 117.680 118.409 -0.729 1
1 1351 . 7 1 1 A 109 109 TRP H H 109 7.427 7.841 -0.414 1
1 1352 . 7 1 1 A 109 109 TRP HA H 109 4.828 4.944 -0.116 1
1 1361 . 7 1 1 A 109 109 TRP C C 109 173.176 176.774 -3.598 1
1 1362 . 7 1 1 A 109 109 TRP CA C 109 56.353 58.927 -2.574 1
1 1363 . 7 1 1 A 109 109 TRP CB C 109 29.743 30.054 -0.311 1
1 1369 . 7 1 1 A 109 109 TRP N N 109 119.087 120.948 -1.861 1
1 1371 . 7 1 1 A 110 110 SER H H 110 8.199 8.595 -0.396 1
1 1372 . 7 1 1 A 110 110 SER HA H 110 4.688 4.611 0.077 1
1 1375 . 7 1 1 A 110 110 SER C C 110 171.769 174.173 -2.404 1
1 1376 . 7 1 1 A 110 110 SER CA C 110 56.324 58.692 -2.368 1
1 1377 . 7 1 1 A 110 110 SER CB C 110 64.513 63.762 0.751 1
1 1378 . 7 1 1 A 110 110 SER N N 110 115.602 120.482 -4.880 1
1 1379 . 7 1 1 A 111 111 THR H H 111 8.268 8.410 -0.142 1
1 1380 . 7 1 1 A 111 111 THR HA H 111 4.425 4.479 -0.054 1
1 1385 . 7 1 1 A 111 111 THR C C 111 171.526 174.630 -3.104 1
1 1386 . 7 1 1 A 111 111 THR CA C 111 60.861 61.712 -0.851 1
1 1387 . 7 1 1 A 111 111 THR CB C 111 69.202 70.603 -1.401 1
1 1389 . 7 1 1 A 111 111 THR N N 111 114.394 117.730 -3.336 1
1 1390 . 7 1 1 A 112 112 LYS H H 112 8.240 8.065 0.175 1
1 1391 . 7 1 1 A 112 112 LYS HA H 112 4.530 4.228 0.302 1
1 1400 . 7 1 1 A 112 112 LYS CA C 112 53.768 54.781 -1.013 1
1 1401 . 7 1 1 A 112 112 LYS CB C 112 32.067 33.524 -1.457 1
1 1405 . 7 1 1 A 112 112 LYS N N 112 125.207 122.971 2.236 1
1 1406 . 7 1 1 A 113 113 PRO HA H 113 4.380 4.652 -0.272 1
1 1413 . 7 1 1 A 113 113 PRO C C 113 174.095 176.145 -2.050 1
1 1414 . 7 1 1 A 113 113 PRO CA C 113 62.381 62.906 -0.525 1
1 1415 . 7 1 1 A 113 113 PRO CB C 113 31.408 32.552 -1.144 1
1 1418 . 7 1 1 A 114 114 VAL H H 114 8.195 8.304 -0.109 1
1 1419 . 7 1 1 A 114 114 VAL HA H 114 4.029 4.144 -0.115 1
1 1427 . 7 1 1 A 114 114 VAL C C 114 173.122 176.533 -3.411 1
1 1428 . 7 1 1 A 114 114 VAL CA C 114 61.335 62.036 -0.701 1
1 1429 . 7 1 1 A 114 114 VAL CB C 114 32.153 31.747 0.406 1
1 1432 . 7 1 1 A 114 114 VAL N N 114 120.113 119.828 0.285 1
1 1433 . 7 1 1 A 115 115 ASP H H 115 8.345 8.085 0.260 1
1 1434 . 7 1 1 A 115 115 ASP HA H 115 4.592 4.426 0.166 1
1 1437 . 7 1 1 A 115 115 ASP C C 115 172.608 176.048 -3.440 1
1 1438 . 7 1 1 A 115 115 ASP CA C 115 53.202 55.926 -2.724 1
1 1439 . 7 1 1 A 115 115 ASP CB C 115 40.552 42.165 -1.613 1
1 1440 . 7 1 1 A 115 115 ASP N N 115 123.853 121.514 2.339 1
1 1 . 8 1 1 A 2 2 TYR HA H 2 4.617 4.468 0.149 1
1 7 . 8 1 1 A 2 2 TYR C C 2 172.716 176.358 -3.642 1
1 8 . 8 1 1 A 2 2 TYR CA C 2 56.943 59.526 -2.583 1
1 9 . 8 1 1 A 2 2 TYR CB C 2 38.050 39.382 -1.332 1
1 14 . 8 1 1 A 2 2 TYR N N 2 121.461 119.375 2.086 1
1 15 . 8 1 1 A 3 3 THR H H 3 7.984 8.195 -0.211 1
1 16 . 8 1 1 A 3 3 THR HA H 3 4.684 4.796 -0.112 1
1 21 . 8 1 1 A 3 3 THR C C 3 170.931 174.195 -3.264 1
1 22 . 8 1 1 A 3 3 THR CA C 3 60.870 61.077 -0.207 1
1 23 . 8 1 1 A 3 3 THR CB C 3 69.270 68.752 0.518 1
1 25 . 8 1 1 A 3 3 THR N N 3 117.624 119.655 -2.031 1
1 26 . 8 1 1 A 4 4 GLU H H 4 8.290 7.970 0.320 1
1 27 . 8 1 1 A 4 4 GLU HA H 4 4.183 4.625 -0.442 1
1 32 . 8 1 1 A 4 4 GLU C C 4 173.013 176.443 -3.430 1
1 33 . 8 1 1 A 4 4 GLU CA C 4 55.876 56.390 -0.514 1
1 34 . 8 1 1 A 4 4 GLU CB C 4 29.779 28.747 1.032 1
1 36 . 8 1 1 A 4 4 GLU N N 4 123.377 120.866 2.511 1
1 37 . 8 1 1 A 5 5 GLN H H 5 8.329 8.171 0.158 1
1 38 . 8 1 1 A 5 5 GLN HA H 5 4.392 4.404 -0.012 1
1 43 . 8 1 1 A 5 5 GLN CA C 5 52.634 55.671 -3.037 1
1 44 . 8 1 1 A 5 5 GLN CB C 5 28.759 28.602 0.157 1
1 46 . 8 1 1 A 5 5 GLN N N 5 122.599 120.535 2.064 1
1 47 . 8 1 1 A 6 6 PRO HA H 6 4.323 4.856 -0.533 1
1 54 . 8 1 1 A 6 6 PRO C C 6 173.636 175.920 -2.284 1
1 55 . 8 1 1 A 6 6 PRO CA C 6 62.080 62.489 -0.409 1
1 56 . 8 1 1 A 6 6 PRO CB C 6 30.785 32.535 -1.750 1
1 59 . 8 1 1 A 7 7 ILE H H 7 8.160 8.378 -0.218 1
1 60 . 8 1 1 A 7 7 ILE HA H 7 3.871 4.285 -0.414 1
1 70 . 8 1 1 A 7 7 ILE C C 7 172.770 175.494 -2.724 1
1 71 . 8 1 1 A 7 7 ILE CA C 7 60.589 60.451 0.138 1
1 72 . 8 1 1 A 7 7 ILE CB C 7 38.318 36.084 2.234 1
1 76 . 8 1 1 A 7 7 ILE N N 7 121.913 120.953 0.960 1
1 77 . 8 1 1 A 8 8 ASP H H 8 8.126 8.139 -0.013 1
1 78 . 8 1 1 A 8 8 ASP HA H 8 4.584 4.200 0.384 1
1 81 . 8 1 1 A 8 8 ASP C C 8 171.742 175.954 -4.212 1
1 82 . 8 1 1 A 8 8 ASP CA C 8 53.265 55.623 -2.358 1
1 83 . 8 1 1 A 8 8 ASP CB C 8 39.521 40.647 -1.126 1
1 84 . 8 1 1 A 8 8 ASP N N 8 124.858 119.325 5.533 1
1 85 . 8 1 1 A 9 9 LEU H H 9 7.374 8.052 -0.678 1
1 86 . 8 1 1 A 9 9 LEU HA H 9 4.506 4.468 0.038 1
1 96 . 8 1 1 A 9 9 LEU C C 9 174.041 175.873 -1.832 1
1 97 . 8 1 1 A 9 9 LEU CA C 9 53.779 55.579 -1.800 1
1 98 . 8 1 1 A 9 9 LEU CB C 9 43.411 42.690 0.721 1
1 102 . 8 1 1 A 9 9 LEU N N 9 122.151 120.821 1.330 1
1 103 . 8 1 1 A 10 10 VAL H H 10 8.827 9.031 -0.204 1
1 104 . 8 1 1 A 10 10 VAL HA H 10 4.841 5.029 -0.188 1
1 112 . 8 1 1 A 10 10 VAL CA C 10 57.706 58.095 -0.389 1
1 113 . 8 1 1 A 10 10 VAL CB C 10 33.895 34.688 -0.793 1
1 116 . 8 1 1 A 10 10 VAL N N 10 120.738 120.816 -0.078 1
1 117 . 8 1 1 A 11 11 PRO HA H 11 4.766 4.949 -0.183 1
1 124 . 8 1 1 A 11 11 PRO C C 11 173.149 175.076 -1.927 1
1 125 . 8 1 1 A 11 11 PRO CA C 11 62.417 62.728 -0.311 1
1 126 . 8 1 1 A 11 11 PRO CB C 11 32.119 32.865 -0.746 1
1 129 . 8 1 1 A 12 12 THR H H 12 7.408 8.426 -1.018 1
1 130 . 8 1 1 A 12 12 THR HA H 12 4.280 4.861 -0.581 1
1 135 . 8 1 1 A 12 12 THR C C 12 166.981 172.039 -5.058 1
1 136 . 8 1 1 A 12 12 THR CA C 12 59.142 60.150 -1.008 1
1 137 . 8 1 1 A 12 12 THR CB C 12 68.812 70.050 -1.238 1
1 139 . 8 1 1 A 12 12 THR N N 12 115.177 116.347 -1.170 1
1 140 . 8 1 1 A 13 13 GLN H H 13 7.953 8.702 -0.749 1
1 141 . 8 1 1 A 13 13 GLN HA H 13 5.073 4.832 0.241 1
1 146 . 8 1 1 A 13 13 GLN CA C 13 52.836 52.475 0.361 1
1 147 . 8 1 1 A 13 13 GLN CB C 13 28.566 32.360 -3.794 1
1 149 . 8 1 1 A 13 13 GLN N N 13 113.324 120.990 -7.666 1
1 150 . 8 1 1 A 14 14 PRO HA H 14 4.340 4.677 -0.337 1
1 157 . 8 1 1 A 14 14 PRO C C 14 173.392 176.735 -3.343 1
1 158 . 8 1 1 A 14 14 PRO CA C 14 62.498 62.446 0.052 1
1 159 . 8 1 1 A 14 14 PRO CB C 14 31.565 32.389 -0.824 1
1 162 . 8 1 1 A 15 15 LEU H H 15 8.764 8.365 0.399 1
1 163 . 8 1 1 A 15 15 LEU HA H 15 4.511 4.831 -0.320 1
1 173 . 8 1 1 A 15 15 LEU CA C 15 52.597 52.737 -0.140 1
1 174 . 8 1 1 A 15 15 LEU CB C 15 40.769 42.485 -1.716 1
1 178 . 8 1 1 A 15 15 LEU N N 15 124.665 118.561 6.104 1
1 179 . 8 1 1 A 16 16 PRO HA H 16 4.325 4.572 -0.247 1
1 186 . 8 1 1 A 16 16 PRO CA C 16 63.358 62.475 0.883 1
1 187 . 8 1 1 A 16 16 PRO CB C 16 31.187 32.725 -1.538 1
1 190 . 8 1 1 A 17 17 ASN H H 17 8.682 8.985 -0.303 1
1 191 . 8 1 1 A 17 17 ASN HA H 17 4.586 4.363 0.223 1
1 196 . 8 1 1 A 17 17 ASN C C 17 174.691 174.581 0.110 1
1 197 . 8 1 1 A 17 17 ASN CA C 17 52.745 55.314 -2.569 1
1 198 . 8 1 1 A 17 17 ASN CB C 17 36.762 36.225 0.537 1
1 199 . 8 1 1 A 17 17 ASN N N 17 114.315 113.947 0.368 1
1 201 . 8 1 1 A 18 18 ALA H H 18 7.283 8.364 -1.081 1
1 202 . 8 1 1 A 18 18 ALA HA H 18 4.569 4.550 0.019 1
1 206 . 8 1 1 A 18 18 ALA C C 18 174.041 176.810 -2.769 1
1 207 . 8 1 1 A 18 18 ALA CA C 18 51.618 53.182 -1.564 1
1 208 . 8 1 1 A 18 18 ALA CB C 18 20.698 20.060 0.638 1
1 209 . 8 1 1 A 18 18 ALA N N 18 121.620 123.546 -1.926 1
1 210 . 8 1 1 A 19 19 SER H H 19 8.744 8.733 0.011 1
1 211 . 8 1 1 A 19 19 SER HA H 19 4.479 4.911 -0.432 1
1 214 . 8 1 1 A 19 19 SER C C 19 169.984 172.240 -2.256 1
1 215 . 8 1 1 A 19 19 SER CA C 19 56.634 56.523 0.111 1
1 216 . 8 1 1 A 19 19 SER CB C 19 65.044 65.874 -0.830 1
1 217 . 8 1 1 A 19 19 SER N N 19 113.995 115.928 -1.933 1
1 218 . 8 1 1 A 20 20 PHE H H 20 7.753 8.023 -0.270 1
1 219 . 8 1 1 A 20 20 PHE HA H 20 3.514 4.132 -0.618 1
1 226 . 8 1 1 A 20 20 PHE C C 20 172.635 174.227 -1.592 1
1 227 . 8 1 1 A 20 20 PHE CA C 20 58.070 58.949 -0.879 1
1 228 . 8 1 1 A 20 20 PHE CB C 20 37.588 39.201 -1.613 1
1 233 . 8 1 1 A 20 20 PHE N N 20 124.690 126.301 -1.611 1
1 234 . 8 1 1 A 21 21 ASP H H 21 8.288 8.197 0.091 1
1 235 . 8 1 1 A 21 21 ASP HA H 21 4.351 4.782 -0.431 1
1 238 . 8 1 1 A 21 21 ASP CA C 21 51.826 51.818 0.008 1
1 239 . 8 1 1 A 21 21 ASP CB C 21 38.598 44.157 -5.559 1
1 240 . 8 1 1 A 21 21 ASP N N 21 127.080 125.469 1.611 1
1 241 . 8 1 1 A 22 22 ASN HA H 22 3.766 4.659 -0.893 1
1 246 . 8 1 1 A 22 22 ASN C C 22 171.688 174.838 -3.150 1
1 247 . 8 1 1 A 22 22 ASN CA C 22 54.954 53.462 1.492 1
1 248 . 8 1 1 A 22 22 ASN CB C 22 37.641 38.140 -0.499 1
1 250 . 8 1 1 A 23 23 PHE H H 23 5.484 7.151 -1.667 1
1 251 . 8 1 1 A 23 23 PHE HA H 23 4.804 4.627 0.177 1
1 259 . 8 1 1 A 23 23 PHE C C 23 169.768 174.972 -5.204 1
1 260 . 8 1 1 A 23 23 PHE CA C 23 54.649 57.229 -2.580 1
1 261 . 8 1 1 A 23 23 PHE CB C 23 39.850 39.742 0.108 1
1 267 . 8 1 1 A 23 23 PHE N N 23 112.858 117.527 -4.669 1
1 268 . 8 1 1 A 24 24 LYS H H 24 8.329 9.098 -0.769 1
1 269 . 8 1 1 A 24 24 LYS HA H 24 3.719 4.298 -0.579 1
1 278 . 8 1 1 A 24 24 LYS C C 24 171.959 176.025 -4.066 1
1 279 . 8 1 1 A 24 24 LYS CA C 24 53.756 55.073 -1.317 1
1 280 . 8 1 1 A 24 24 LYS CB C 24 36.279 33.344 2.935 1
1 284 . 8 1 1 A 24 24 LYS N N 24 119.724 123.665 -3.941 1
1 285 . 8 1 1 A 25 25 LEU H H 25 9.144 8.076 1.068 1
1 286 . 8 1 1 A 25 25 LEU HA H 25 5.462 5.165 0.297 1
1 296 . 8 1 1 A 25 25 LEU C C 25 174.609 175.885 -1.276 1
1 297 . 8 1 1 A 25 25 LEU CA C 25 53.208 53.414 -0.206 1
1 298 . 8 1 1 A 25 25 LEU CB C 25 41.419 43.997 -2.578 1
1 302 . 8 1 1 A 25 25 LEU N N 25 126.849 124.800 2.049 1
1 303 . 8 1 1 A 26 26 THR H H 26 8.956 9.170 -0.214 1
1 304 . 8 1 1 A 26 26 THR HA H 26 4.471 5.317 -0.846 1
1 309 . 8 1 1 A 26 26 THR C C 26 169.524 173.100 -3.576 1
1 310 . 8 1 1 A 26 26 THR CA C 26 58.769 59.855 -1.086 1
1 311 . 8 1 1 A 26 26 THR CB C 26 69.971 72.676 -2.705 1
1 313 . 8 1 1 A 26 26 THR N N 26 113.907 113.108 0.799 1
1 314 . 8 1 1 A 27 27 CYS H H 27 8.507 8.565 -0.058 1
1 315 . 8 1 1 A 27 27 CYS HA H 27 4.509 4.814 -0.305 1
1 318 . 8 1 1 A 27 27 CYS C C 27 169.984 173.969 -3.985 1
1 319 . 8 1 1 A 27 27 CYS CA C 27 57.948 57.779 0.169 1
1 320 . 8 1 1 A 27 27 CYS CB C 27 29.529 30.885 -1.356 1
1 321 . 8 1 1 A 27 27 CYS N N 27 120.842 119.227 1.615 1
1 322 . 8 1 1 A 28 28 SER H H 28 9.044 8.726 0.318 1
1 323 . 8 1 1 A 28 28 SER HA H 28 4.140 4.204 -0.064 1
1 326 . 8 1 1 A 28 28 SER C C 28 172.716 175.818 -3.102 1
1 327 . 8 1 1 A 28 28 SER CA C 28 60.986 62.483 -1.497 1
1 328 . 8 1 1 A 28 28 SER CB C 28 61.437 62.915 -1.478 1
1 329 . 8 1 1 A 28 28 SER N N 28 124.898 119.037 5.861 1
1 330 . 8 1 1 A 29 29 ASN H H 29 7.825 7.684 0.141 1
1 331 . 8 1 1 A 29 29 ASN HA H 29 4.951 4.744 0.207 1
1 336 . 8 1 1 A 29 29 ASN C C 29 171.688 176.048 -4.360 1
1 337 . 8 1 1 A 29 29 ASN CA C 29 52.155 53.248 -1.093 1
1 338 . 8 1 1 A 29 29 ASN CB C 29 36.980 39.276 -2.296 1
1 339 . 8 1 1 A 29 29 ASN N N 29 121.001 117.541 3.460 1
1 341 . 8 1 1 A 30 30 THR H H 30 8.062 8.726 -0.664 1
1 342 . 8 1 1 A 30 30 THR HA H 30 3.901 4.063 -0.162 1
1 347 . 8 1 1 A 30 30 THR C C 30 173.338 176.695 -3.357 1
1 348 . 8 1 1 A 30 30 THR CA C 30 64.874 65.970 -1.096 1
1 349 . 8 1 1 A 30 30 THR CB C 30 67.715 68.882 -1.167 1
1 351 . 8 1 1 A 30 30 THR N N 30 119.799 119.671 0.128 1
1 352 . 8 1 1 A 31 31 LYS H H 31 8.015 8.214 -0.199 1
1 353 . 8 1 1 A 31 31 LYS HA H 31 4.119 3.979 0.140 1
1 362 . 8 1 1 A 31 31 LYS C C 31 174.231 178.507 -4.276 1
1 363 . 8 1 1 A 31 31 LYS CA C 31 58.286 59.819 -1.533 1
1 364 . 8 1 1 A 31 31 LYS CB C 31 31.547 32.273 -0.726 1
1 368 . 8 1 1 A 31 31 LYS N N 31 122.845 122.481 0.364 1
1 369 . 8 1 1 A 32 32 PHE H H 32 7.739 8.596 -0.857 1
1 370 . 8 1 1 A 32 32 PHE HA H 32 4.652 4.234 0.418 1
1 378 . 8 1 1 A 32 32 PHE C C 32 174.691 177.192 -2.501 1
1 379 . 8 1 1 A 32 32 PHE CA C 32 59.954 61.835 -1.881 1
1 380 . 8 1 1 A 32 32 PHE CB C 32 38.444 39.385 -0.941 1
1 386 . 8 1 1 A 32 32 PHE N N 32 120.100 121.082 -0.982 1
1 387 . 8 1 1 A 33 33 ALA H H 33 6.955 8.201 -1.246 1
1 388 . 8 1 1 A 33 33 ALA HA H 33 3.555 4.094 -0.539 1
1 392 . 8 1 1 A 33 33 ALA C C 33 175.502 179.840 -4.338 1
1 393 . 8 1 1 A 33 33 ALA CA C 33 54.703 54.994 -0.291 1
1 394 . 8 1 1 A 33 33 ALA CB C 33 17.085 18.178 -1.093 1
1 395 . 8 1 1 A 33 33 ALA N N 33 116.140 120.953 -4.813 1
1 396 . 8 1 1 A 34 34 ASP H H 34 8.795 8.366 0.429 1
1 397 . 8 1 1 A 34 34 ASP HA H 34 4.367 4.394 -0.027 1
1 400 . 8 1 1 A 34 34 ASP C C 34 176.854 177.863 -1.009 1
1 401 . 8 1 1 A 34 34 ASP CA C 34 56.911 57.335 -0.424 1
1 402 . 8 1 1 A 34 34 ASP CB C 34 39.495 40.969 -1.474 1
1 403 . 8 1 1 A 34 34 ASP N N 34 118.170 118.679 -0.509 1
1 404 . 8 1 1 A 35 35 ASP H H 35 8.791 8.376 0.415 1
1 405 . 8 1 1 A 35 35 ASP HA H 35 4.360 4.365 -0.005 1
1 408 . 8 1 1 A 35 35 ASP C C 35 177.233 178.848 -1.615 1
1 409 . 8 1 1 A 35 35 ASP CA C 35 56.890 57.327 -0.437 1
1 410 . 8 1 1 A 35 35 ASP CB C 35 39.291 41.093 -1.802 1
1 411 . 8 1 1 A 35 35 ASP N N 35 121.921 119.843 2.078 1
1 412 . 8 1 1 A 36 36 LEU H H 36 7.792 8.200 -0.408 1
1 413 . 8 1 1 A 36 36 LEU HA H 36 4.162 3.889 0.273 1
1 423 . 8 1 1 A 36 36 LEU C C 36 176.097 179.453 -3.356 1
1 424 . 8 1 1 A 36 36 LEU CA C 36 57.508 58.039 -0.531 1
1 425 . 8 1 1 A 36 36 LEU CB C 36 41.523 41.448 0.075 1
1 429 . 8 1 1 A 36 36 LEU N N 36 121.822 119.700 2.122 1
1 430 . 8 1 1 A 37 37 ASN H H 37 9.015 8.485 0.530 1
1 431 . 8 1 1 A 37 37 ASN HA H 37 4.733 4.551 0.182 1
1 436 . 8 1 1 A 37 37 ASN C C 37 176.232 178.632 -2.400 1
1 437 . 8 1 1 A 37 37 ASN CA C 37 54.288 56.614 -2.326 1
1 438 . 8 1 1 A 37 37 ASN CB C 37 37.337 38.044 -0.707 1
1 439 . 8 1 1 A 37 37 ASN N N 37 116.904 117.108 -0.204 1
1 441 . 8 1 1 A 38 38 GLN H H 38 8.218 7.411 0.807 1
1 442 . 8 1 1 A 38 38 GLN HA H 38 4.074 4.158 -0.084 1
1 447 . 8 1 1 A 38 38 GLN C C 38 175.773 179.012 -3.239 1
1 448 . 8 1 1 A 38 38 GLN CA C 38 58.134 58.631 -0.497 1
1 449 . 8 1 1 A 38 38 GLN CB C 38 27.676 28.307 -0.631 1
1 451 . 8 1 1 A 38 38 GLN N N 38 121.443 120.826 0.617 1
1 452 . 8 1 1 A 39 39 MET H H 39 7.487 7.885 -0.398 1
1 453 . 8 1 1 A 39 39 MET HA H 39 3.967 4.223 -0.256 1
1 461 . 8 1 1 A 39 39 MET C C 39 176.259 177.059 -0.800 1
1 462 . 8 1 1 A 39 39 MET CA C 39 58.374 58.444 -0.070 1
1 463 . 8 1 1 A 39 39 MET CB C 39 33.000 32.853 0.147 1
1 466 . 8 1 1 A 39 39 MET N N 39 118.793 119.733 -0.940 1
1 467 . 8 1 1 A 40 40 THR H H 40 7.873 7.298 0.575 1
1 468 . 8 1 1 A 40 40 THR HA H 40 3.769 4.406 -0.637 1
1 473 . 8 1 1 A 40 40 THR C C 40 173.906 174.910 -1.004 1
1 474 . 8 1 1 A 40 40 THR CA C 40 61.739 62.228 -0.489 1
1 475 . 8 1 1 A 40 40 THR CB C 40 68.427 69.028 -0.601 1
1 477 . 8 1 1 A 40 40 THR N N 40 108.945 110.991 -2.046 1
1 478 . 8 1 1 A 41 41 GLY H H 41 7.199 8.002 -0.803 1
1 479 . 8 1 1 A 41 41 GLY HA2 H 41 3.899 3.970 -0.071 1
1 480 . 8 1 1 A 41 41 GLY HA3 H 41 3.662 3.971 -0.309 1
1 481 . 8 1 1 A 41 41 GLY C C 41 171.661 174.574 -2.913 1
1 482 . 8 1 1 A 41 41 GLY CA C 41 44.926 46.430 -1.504 1
1 483 . 8 1 1 A 41 41 GLY N N 41 106.430 111.026 -4.596 1
1 484 . 8 1 1 A 42 42 PHE H H 42 7.876 8.157 -0.281 1
1 485 . 8 1 1 A 42 42 PHE HA H 42 4.682 4.654 0.028 1
1 493 . 8 1 1 A 42 42 PHE C C 42 171.499 174.922 -3.423 1
1 494 . 8 1 1 A 42 42 PHE CA C 42 57.793 59.364 -1.571 1
1 495 . 8 1 1 A 42 42 PHE CB C 42 39.422 39.912 -0.490 1
1 501 . 8 1 1 A 42 42 PHE N N 42 122.221 120.971 1.250 1
1 502 . 8 1 1 A 43 43 THR H H 43 8.418 8.504 -0.086 1
1 503 . 8 1 1 A 43 43 THR HA H 43 3.665 4.239 -0.574 1
1 508 . 8 1 1 A 43 43 THR C C 43 168.767 173.655 -4.888 1
1 509 . 8 1 1 A 43 43 THR CA C 43 59.002 60.498 -1.496 1
1 510 . 8 1 1 A 43 43 THR CB C 43 70.919 71.218 -0.299 1
1 512 . 8 1 1 A 43 43 THR N N 43 123.470 122.142 1.328 1
1 513 . 8 1 1 A 44 44 LYS H H 44 7.999 8.211 -0.212 1
1 514 . 8 1 1 A 44 44 LYS HA H 44 3.924 4.666 -0.742 1
1 523 . 8 1 1 A 44 44 LYS CA C 44 54.785 53.933 0.852 1
1 524 . 8 1 1 A 44 44 LYS CB C 44 31.047 31.697 -0.650 1
1 528 . 8 1 1 A 44 44 LYS N N 44 124.728 124.202 0.526 1
1 529 . 8 1 1 A 45 45 PRO HA H 45 4.581 4.477 0.104 1
1 536 . 8 1 1 A 45 45 PRO C C 45 172.770 176.939 -4.169 1
1 537 . 8 1 1 A 45 45 PRO CA C 45 60.970 62.571 -1.601 1
1 538 . 8 1 1 A 45 45 PRO CB C 45 33.754 32.681 1.073 1
1 541 . 8 1 1 A 46 46 ALA H H 46 8.715 8.570 0.145 1
1 542 . 8 1 1 A 46 46 ALA HA H 46 4.674 4.780 -0.106 1
1 546 . 8 1 1 A 46 46 ALA C C 46 175.827 178.334 -2.507 1
1 547 . 8 1 1 A 46 46 ALA CA C 46 50.851 52.444 -1.593 1
1 548 . 8 1 1 A 46 46 ALA CB C 46 20.458 19.343 1.115 1
1 549 . 8 1 1 A 46 46 ALA N N 46 123.249 125.225 -1.976 1
1 550 . 8 1 1 A 47 47 SER H H 47 8.518 8.517 0.001 1
1 551 . 8 1 1 A 47 47 SER HA H 47 4.202 4.435 -0.233 1
1 554 . 8 1 1 A 47 47 SER C C 47 171.769 174.489 -2.720 1
1 555 . 8 1 1 A 47 47 SER CA C 47 58.740 60.738 -1.998 1
1 556 . 8 1 1 A 47 47 SER CB C 47 62.419 63.806 -1.387 1
1 557 . 8 1 1 A 47 47 SER N N 47 117.696 118.380 -0.684 1
1 558 . 8 1 1 A 48 48 ARG H H 48 7.276 7.320 -0.044 1
1 559 . 8 1 1 A 48 48 ARG HA H 48 4.466 4.867 -0.401 1
1 566 . 8 1 1 A 48 48 ARG C C 48 170.417 174.280 -3.863 1
1 567 . 8 1 1 A 48 48 ARG CA C 48 54.164 54.467 -0.303 1
1 568 . 8 1 1 A 48 48 ARG CB C 48 29.775 33.814 -4.039 1
1 571 . 8 1 1 A 48 48 ARG N N 48 115.830 116.810 -0.980 1
1 572 . 8 1 1 A 49 49 GLU H H 49 8.681 8.810 -0.129 1
1 573 . 8 1 1 A 49 49 GLU HA H 49 5.373 5.047 0.326 1
1 578 . 8 1 1 A 49 49 GLU C C 49 172.716 175.088 -2.372 1
1 579 . 8 1 1 A 49 49 GLU CA C 49 53.744 55.335 -1.591 1
1 580 . 8 1 1 A 49 49 GLU CB C 49 32.057 30.760 1.297 1
1 582 . 8 1 1 A 49 49 GLU N N 49 119.800 120.181 -0.381 1
1 583 . 8 1 1 A 50 50 LEU H H 50 8.720 8.891 -0.171 1
1 584 . 8 1 1 A 50 50 LEU HA H 50 4.821 4.505 0.316 1
1 594 . 8 1 1 A 50 50 LEU C C 50 171.932 176.566 -4.634 1
1 595 . 8 1 1 A 50 50 LEU CA C 50 52.447 54.741 -2.294 1
1 596 . 8 1 1 A 50 50 LEU CB C 50 44.748 41.330 3.418 1
1 600 . 8 1 1 A 50 50 LEU N N 50 124.747 125.843 -1.096 1
1 601 . 8 1 1 A 51 51 SER H H 51 9.560 8.433 1.127 1
1 602 . 8 1 1 A 51 51 SER HA H 51 4.881 4.746 0.135 1
1 605 . 8 1 1 A 51 51 SER C C 51 171.769 174.623 -2.854 1
1 606 . 8 1 1 A 51 51 SER CA C 51 55.707 57.804 -2.097 1
1 607 . 8 1 1 A 51 51 SER CB C 51 64.701 63.882 0.819 1
1 608 . 8 1 1 A 51 51 SER N N 51 119.156 120.423 -1.267 1
1 609 . 8 1 1 A 52 52 VAL H H 52 8.416 8.371 0.045 1
1 610 . 8 1 1 A 52 52 VAL HA H 52 5.196 4.743 0.453 1
1 618 . 8 1 1 A 52 52 VAL CA C 52 59.207 61.587 -2.380 1
1 619 . 8 1 1 A 52 52 VAL CB C 52 33.156 32.666 0.490 1
1 622 . 8 1 1 A 52 52 VAL N N 52 121.797 123.180 -1.383 1
1 623 . 8 1 1 A 53 53 THR H H 53 8.383 8.279 0.104 1
1 624 . 8 1 1 A 53 53 THR HA H 53 4.358 4.856 -0.498 1
1 629 . 8 1 1 A 53 53 THR C C 53 169.741 172.026 -2.285 1
1 630 . 8 1 1 A 53 53 THR CA C 53 58.375 59.723 -1.348 1
1 631 . 8 1 1 A 53 53 THR CB C 53 70.707 71.724 -1.017 1
1 633 . 8 1 1 A 53 53 THR N N 53 117.287 115.572 1.715 1
1 634 . 8 1 1 A 54 54 PHE H H 54 8.737 8.824 -0.087 1
1 635 . 8 1 1 A 54 54 PHE HA H 54 4.536 4.997 -0.461 1
1 643 . 8 1 1 A 54 54 PHE C C 54 172.986 175.660 -2.674 1
1 644 . 8 1 1 A 54 54 PHE CA C 54 57.064 56.444 0.620 1
1 645 . 8 1 1 A 54 54 PHE CB C 54 38.755 40.236 -1.481 1
1 651 . 8 1 1 A 54 54 PHE N N 54 118.180 121.680 -3.500 1
1 652 . 8 1 1 A 55 55 PHE H H 55 9.167 8.834 0.333 1
1 653 . 8 1 1 A 55 55 PHE HA H 55 3.715 4.535 -0.820 1
1 660 . 8 1 1 A 55 55 PHE CA C 55 57.908 57.032 0.876 1
1 661 . 8 1 1 A 55 55 PHE CB C 55 39.594 38.779 0.815 1
1 666 . 8 1 1 A 55 55 PHE N N 55 128.290 123.686 4.604 1
1 667 . 8 1 1 A 56 56 PRO HA H 56 2.356 3.767 -1.411 1
1 674 . 8 1 1 A 56 56 PRO C C 56 171.012 174.733 -3.721 1
1 675 . 8 1 1 A 56 56 PRO CA C 56 62.611 61.852 0.759 1
1 676 . 8 1 1 A 56 56 PRO CB C 56 32.522 29.808 2.714 1
1 679 . 8 1 1 A 57 57 ASP H H 57 9.009 8.489 0.520 1
1 680 . 8 1 1 A 57 57 ASP HA H 57 4.289 4.981 -0.692 1
1 683 . 8 1 1 A 57 57 ASP C C 57 173.257 174.004 -0.747 1
1 684 . 8 1 1 A 57 57 ASP CA C 57 53.752 53.285 0.467 1
1 685 . 8 1 1 A 57 57 ASP CB C 57 40.067 44.321 -4.254 1
1 686 . 8 1 1 A 57 57 ASP N N 57 127.876 122.614 5.262 1
1 687 . 8 1 1 A 58 58 LEU H H 58 8.368 8.627 -0.259 1
1 688 . 8 1 1 A 58 58 LEU HA H 58 4.229 4.696 -0.467 1
1 698 . 8 1 1 A 58 58 LEU C C 58 174.285 177.007 -2.722 1
1 699 . 8 1 1 A 58 58 LEU CA C 58 52.468 53.292 -0.824 1
1 700 . 8 1 1 A 58 58 LEU CB C 58 40.258 41.902 -1.644 1
1 704 . 8 1 1 A 58 58 LEU N N 58 128.010 122.260 5.750 1
1 705 . 8 1 1 A 59 59 ASN H H 59 8.430 7.861 0.569 1
1 706 . 8 1 1 A 59 59 ASN HA H 59 4.198 4.855 -0.657 1
1 711 . 8 1 1 A 59 59 ASN C C 59 173.636 175.598 -1.962 1
1 712 . 8 1 1 A 59 59 ASN CA C 59 54.945 53.574 1.371 1
1 713 . 8 1 1 A 59 59 ASN CB C 59 38.175 39.581 -1.406 1
1 714 . 8 1 1 A 59 59 ASN N N 59 116.745 118.477 -1.732 1
1 716 . 8 1 1 A 60 60 GLY H H 60 8.083 7.879 0.204 1
1 717 . 8 1 1 A 60 60 GLY HA2 H 60 3.766 3.978 -0.212 1
1 718 . 8 1 1 A 60 60 GLY HA3 H 60 3.326 4.003 -0.677 1
1 719 . 8 1 1 A 60 60 GLY C C 60 169.876 174.759 -4.883 1
1 720 . 8 1 1 A 60 60 GLY CA C 60 44.285 44.877 -0.592 1
1 721 . 8 1 1 A 60 60 GLY N N 60 110.045 107.734 2.311 1
1 722 . 8 1 1 A 61 61 ASP H H 61 8.084 8.710 -0.626 1
1 723 . 8 1 1 A 61 61 ASP HA H 61 4.200 4.439 -0.239 1
1 726 . 8 1 1 A 61 61 ASP C C 61 172.283 175.382 -3.099 1
1 727 . 8 1 1 A 61 61 ASP CA C 61 56.865 55.658 1.207 1
1 728 . 8 1 1 A 61 61 ASP CB C 61 42.113 40.758 1.355 1
1 729 . 8 1 1 A 61 61 ASP N N 61 121.395 120.488 0.907 1
1 730 . 8 1 1 A 62 62 VAL H H 62 8.387 7.798 0.589 1
1 731 . 8 1 1 A 62 62 VAL HA H 62 4.096 4.660 -0.564 1
1 739 . 8 1 1 A 62 62 VAL C C 62 171.255 174.365 -3.110 1
1 740 . 8 1 1 A 62 62 VAL CA C 62 58.914 60.419 -1.505 1
1 741 . 8 1 1 A 62 62 VAL CB C 62 34.433 35.648 -1.215 1
1 744 . 8 1 1 A 62 62 VAL N N 62 117.701 116.871 0.830 1
1 745 . 8 1 1 A 63 63 VAL H H 63 8.251 8.563 -0.312 1
1 746 . 8 1 1 A 63 63 VAL HA H 63 4.637 4.731 -0.094 1
1 754 . 8 1 1 A 63 63 VAL C C 63 171.282 174.968 -3.686 1
1 755 . 8 1 1 A 63 63 VAL CA C 63 59.233 60.277 -1.044 1
1 756 . 8 1 1 A 63 63 VAL CB C 63 33.531 34.135 -0.604 1
1 759 . 8 1 1 A 63 63 VAL N N 63 125.341 126.125 -0.784 1
1 760 . 8 1 1 A 64 64 ALA H H 64 9.316 9.043 0.273 1
1 761 . 8 1 1 A 64 64 ALA HA H 64 5.036 5.345 -0.309 1
1 765 . 8 1 1 A 64 64 ALA C C 64 173.825 175.858 -2.033 1
1 766 . 8 1 1 A 64 64 ALA CA C 64 49.059 50.313 -1.254 1
1 767 . 8 1 1 A 64 64 ALA CB C 64 20.323 21.769 -1.446 1
1 768 . 8 1 1 A 64 64 ALA N N 64 128.526 126.695 1.831 1
1 769 . 8 1 1 A 65 65 ILE H H 65 9.451 9.325 0.126 1
1 770 . 8 1 1 A 65 65 ILE HA H 65 4.475 4.835 -0.360 1
1 780 . 8 1 1 A 65 65 ILE C C 65 172.121 175.037 -2.916 1
1 781 . 8 1 1 A 65 65 ILE CA C 65 56.490 59.590 -3.100 1
1 782 . 8 1 1 A 65 65 ILE CB C 65 37.474 41.293 -3.819 1
1 786 . 8 1 1 A 65 65 ILE N N 65 126.677 122.483 4.194 1
1 787 . 8 1 1 A 66 66 ASP H H 66 9.165 8.797 0.368 1
1 788 . 8 1 1 A 66 66 ASP HA H 66 4.045 4.662 -0.617 1
1 791 . 8 1 1 A 66 66 ASP C C 66 174.663 177.355 -2.692 1
1 792 . 8 1 1 A 66 66 ASP CA C 66 54.199 54.770 -0.571 1
1 793 . 8 1 1 A 66 66 ASP CB C 66 42.211 42.625 -0.414 1
1 794 . 8 1 1 A 66 66 ASP N N 66 128.723 126.527 2.196 1
1 795 . 8 1 1 A 67 67 TYR H H 67 8.919 8.878 0.041 1
1 796 . 8 1 1 A 67 67 TYR HA H 67 4.344 4.116 0.228 1
1 801 . 8 1 1 A 67 67 TYR C C 67 173.257 177.420 -4.163 1
1 802 . 8 1 1 A 67 67 TYR CA C 67 59.614 61.737 -2.123 1
1 803 . 8 1 1 A 67 67 TYR CB C 67 39.338 38.962 0.376 1
1 806 . 8 1 1 A 67 67 TYR N N 67 127.739 128.329 -0.590 1
1 807 . 8 1 1 A 68 68 ARG H H 68 9.459 8.254 1.205 1
1 808 . 8 1 1 A 68 68 ARG HA H 68 3.923 4.055 -0.132 1
1 815 . 8 1 1 A 68 68 ARG C C 68 174.150 177.409 -3.259 1
1 816 . 8 1 1 A 68 68 ARG CA C 68 57.691 57.678 0.013 1
1 817 . 8 1 1 A 68 68 ARG CB C 68 27.945 29.710 -1.765 1
1 820 . 8 1 1 A 68 68 ARG N N 68 121.666 117.831 3.835 1
1 821 . 8 1 1 A 69 69 HIS H H 69 8.146 7.845 0.301 1
1 822 . 8 1 1 A 69 69 HIS HA H 69 4.538 4.756 -0.218 1
1 826 . 8 1 1 A 69 69 HIS C C 69 171.391 174.403 -3.012 1
1 827 . 8 1 1 A 69 69 HIS CA C 69 55.405 55.590 -0.185 1
1 828 . 8 1 1 A 69 69 HIS CB C 69 29.458 30.484 -1.026 1
1 830 . 8 1 1 A 69 69 HIS N N 69 117.372 115.033 2.339 1
1 831 . 8 1 1 A 70 70 TYR H H 70 7.468 7.363 0.105 1
1 832 . 8 1 1 A 70 70 TYR HA H 70 3.431 3.559 -0.128 1
1 839 . 8 1 1 A 70 70 TYR C C 70 171.904 174.133 -2.229 1
1 840 . 8 1 1 A 70 70 TYR CA C 70 60.020 55.364 4.656 1
1 841 . 8 1 1 A 70 70 TYR CB C 70 37.554 35.621 1.933 1
1 846 . 8 1 1 A 70 70 TYR N N 70 121.636 121.521 0.115 1
1 847 . 8 1 1 A 71 71 SER H H 71 5.657 8.985 -3.328 1
1 848 . 8 1 1 A 71 71 SER HA H 71 3.958 4.383 -0.425 1
1 851 . 8 1 1 A 71 71 SER C C 71 170.390 175.531 -5.141 1
1 852 . 8 1 1 A 71 71 SER CA C 71 55.267 58.282 -3.015 1
1 853 . 8 1 1 A 71 71 SER CB C 71 64.410 64.230 0.180 1
1 854 . 8 1 1 A 71 71 SER N N 71 120.240 121.544 -1.304 1
1 855 . 8 1 1 A 72 72 ALA H H 72 8.461 8.909 -0.448 1
1 856 . 8 1 1 A 72 72 ALA HA H 72 3.757 4.009 -0.252 1
1 860 . 8 1 1 A 72 72 ALA CA C 72 54.250 53.953 0.297 1
1 861 . 8 1 1 A 72 72 ALA CB C 72 17.423 18.544 -1.121 1
1 862 . 8 1 1 A 72 72 ALA N N 72 123.497 128.909 -5.412 1
1 863 . 8 1 1 A 73 73 SER HA H 73 3.904 3.867 0.037 1
1 866 . 8 1 1 A 73 73 SER C C 73 172.500 175.811 -3.311 1
1 867 . 8 1 1 A 73 73 SER CA C 73 59.873 62.179 -2.306 1
1 868 . 8 1 1 A 73 73 SER CB C 73 61.769 62.393 -0.624 1
1 869 . 8 1 1 A 74 74 PHE H H 74 7.508 7.631 -0.123 1
1 870 . 8 1 1 A 74 74 PHE HA H 74 5.163 4.705 0.458 1
1 877 . 8 1 1 A 74 74 PHE C C 74 173.987 176.230 -2.243 1
1 878 . 8 1 1 A 74 74 PHE CA C 74 53.320 58.678 -5.358 1
1 879 . 8 1 1 A 74 74 PHE CB C 74 37.854 38.517 -0.663 1
1 884 . 8 1 1 A 74 74 PHE N N 74 118.853 117.685 1.168 1
1 885 . 8 1 1 A 75 75 LYS H H 75 7.245 7.911 -0.666 1
1 886 . 8 1 1 A 75 75 LYS HA H 75 4.200 4.109 0.091 1
1 895 . 8 1 1 A 75 75 LYS C C 75 173.717 177.373 -3.656 1
1 896 . 8 1 1 A 75 75 LYS CA C 75 59.003 59.483 -0.480 1
1 897 . 8 1 1 A 75 75 LYS CB C 75 31.846 31.907 -0.061 1
1 901 . 8 1 1 A 75 75 LYS N N 75 121.129 122.608 -1.479 1
1 902 . 8 1 1 A 76 76 LYS H H 76 7.841 7.910 -0.069 1
1 903 . 8 1 1 A 76 76 LYS HA H 76 3.738 2.557 1.181 1
1 912 . 8 1 1 A 76 76 LYS C C 76 170.200 175.547 -5.347 1
1 913 . 8 1 1 A 76 76 LYS CA C 76 55.114 54.221 0.893 1
1 914 . 8 1 1 A 76 76 LYS CB C 76 32.393 32.475 -0.082 1
1 918 . 8 1 1 A 76 76 LYS N N 76 114.423 115.620 -1.197 1
1 919 . 8 1 1 A 77 77 GLY H H 77 7.239 7.260 -0.021 1
1 920 . 8 1 1 A 77 77 GLY HA2 H 77 3.737 4.055 -0.318 1
1 921 . 8 1 1 A 77 77 GLY HA3 H 77 4.771 4.065 0.706 1
1 922 . 8 1 1 A 77 77 GLY C C 77 170.795 172.363 -1.568 1
1 923 . 8 1 1 A 77 77 GLY CA C 77 43.770 44.013 -0.243 1
1 924 . 8 1 1 A 77 77 GLY N N 77 103.318 106.995 -3.677 1
1 925 . 8 1 1 A 78 78 ALA H H 78 6.868 8.141 -1.273 1
1 926 . 8 1 1 A 78 78 ALA HA H 78 4.982 5.159 -0.177 1
1 930 . 8 1 1 A 78 78 ALA C C 78 171.904 175.576 -3.672 1
1 931 . 8 1 1 A 78 78 ALA CA C 78 49.907 51.357 -1.450 1
1 932 . 8 1 1 A 78 78 ALA CB C 78 22.601 23.420 -0.819 1
1 933 . 8 1 1 A 78 78 ALA N N 78 117.057 120.748 -3.691 1
1 934 . 8 1 1 A 79 79 LYS H H 79 8.765 8.996 -0.231 1
1 935 . 8 1 1 A 79 79 LYS HA H 79 4.636 5.038 -0.402 1
1 944 . 8 1 1 A 79 79 LYS C C 79 171.039 174.094 -3.055 1
1 945 . 8 1 1 A 79 79 LYS CA C 79 54.485 54.103 0.382 1
1 946 . 8 1 1 A 79 79 LYS CB C 79 35.963 36.692 -0.729 1
1 950 . 8 1 1 A 79 79 LYS N N 79 117.018 115.800 1.218 1
1 951 . 8 1 1 A 80 80 LEU H H 80 8.782 8.948 -0.166 1
1 952 . 8 1 1 A 80 80 LEU HA H 80 4.459 4.610 -0.151 1
1 962 . 8 1 1 A 80 80 LEU C C 80 173.095 177.155 -4.060 1
1 963 . 8 1 1 A 80 80 LEU CA C 80 52.743 52.257 0.486 1
1 964 . 8 1 1 A 80 80 LEU CB C 80 42.494 44.564 -2.070 1
1 968 . 8 1 1 A 80 80 LEU N N 80 122.496 122.037 0.459 1
1 969 . 8 1 1 A 81 81 LEU H H 81 8.636 8.571 0.065 1
1 970 . 8 1 1 A 81 81 LEU HA H 81 3.578 4.022 -0.444 1
1 980 . 8 1 1 A 81 81 LEU CA C 81 57.316 58.748 -1.432 1
1 981 . 8 1 1 A 81 81 LEU CB C 81 39.032 42.147 -3.115 1
1 985 . 8 1 1 A 81 81 LEU N N 81 125.060 124.812 0.248 1
1 986 . 8 1 1 A 82 82 HIS H H 82 8.379 7.628 0.751 1
1 987 . 8 1 1 A 82 82 HIS HA H 82 4.551 4.826 -0.275 1
1 992 . 8 1 1 A 82 82 HIS C C 82 172.635 174.640 -2.005 1
1 993 . 8 1 1 A 82 82 HIS CA C 82 55.432 55.362 0.070 1
1 994 . 8 1 1 A 82 82 HIS CB C 82 29.646 31.531 -1.885 1
1 997 . 8 1 1 A 82 82 HIS N N 82 114.387 111.350 3.037 1
1 998 . 8 1 1 A 83 83 LYS H H 83 8.023 7.423 0.600 1
1 999 . 8 1 1 A 83 83 LYS HA H 83 4.670 4.274 0.396 1
1 1008 . 8 1 1 A 83 83 LYS CA C 83 52.041 53.748 -1.707 1
1 1009 . 8 1 1 A 83 83 LYS CB C 83 32.741 31.627 1.114 1
1 1013 . 8 1 1 A 83 83 LYS N N 83 122.886 121.289 1.597 1
1 1014 . 8 1 1 A 84 84 PRO HA H 84 4.585 4.643 -0.058 1
1 1021 . 8 1 1 A 84 84 PRO C C 84 172.797 175.728 -2.931 1
1 1022 . 8 1 1 A 84 84 PRO CA C 84 62.050 62.166 -0.116 1
1 1023 . 8 1 1 A 84 84 PRO CB C 84 32.770 32.754 0.016 1
1 1026 . 8 1 1 A 85 85 ILE H H 85 6.185 8.172 -1.987 1
1 1027 . 8 1 1 A 85 85 ILE HA H 85 5.743 5.412 0.331 1
1 1037 . 8 1 1 A 85 85 ILE C C 85 174.366 174.227 0.139 1
1 1038 . 8 1 1 A 85 85 ILE CA C 85 57.032 58.557 -1.525 1
1 1039 . 8 1 1 A 85 85 ILE CB C 85 41.265 42.275 -1.010 1
1 1043 . 8 1 1 A 85 85 ILE N N 85 107.777 115.462 -7.685 1
1 1044 . 8 1 1 A 86 86 VAL H H 86 7.552 8.454 -0.902 1
1 1045 . 8 1 1 A 86 86 VAL HA H 86 4.278 4.877 -0.599 1
1 1053 . 8 1 1 A 86 86 VAL CA C 86 59.345 58.637 0.708 1
1 1054 . 8 1 1 A 86 86 VAL CB C 86 34.990 35.410 -0.420 1
1 1057 . 8 1 1 A 86 86 VAL N N 86 109.584 115.332 -5.748 1
1 1058 . 8 1 1 A 87 87 TRP H H 87 10.036 8.928 1.108 1
1 1059 . 8 1 1 A 87 87 TRP HA H 87 6.158 5.586 0.572 1
1 1068 . 8 1 1 A 87 87 TRP C C 87 174.393 176.535 -2.142 1
1 1069 . 8 1 1 A 87 87 TRP CA C 87 55.238 56.203 -0.965 1
1 1070 . 8 1 1 A 87 87 TRP CB C 87 32.786 30.509 2.277 1
1 1076 . 8 1 1 A 87 87 TRP N N 87 122.256 123.583 -1.327 1
1 1078 . 8 1 1 A 88 88 HIS H H 88 8.802 9.180 -0.378 1
1 1079 . 8 1 1 A 88 88 HIS HA H 88 5.383 5.982 -0.599 1
1 1085 . 8 1 1 A 88 88 HIS CA C 88 53.902 53.690 0.212 1
1 1086 . 8 1 1 A 88 88 HIS CB C 88 37.553 33.197 4.356 1
1 1089 . 8 1 1 A 88 88 HIS N N 88 116.636 119.593 -2.957 1
1 1090 . 8 1 1 A 89 89 ILE H H 89 9.197 8.780 0.417 1
1 1091 . 8 1 1 A 89 89 ILE HA H 89 4.022 4.297 -0.275 1
1 1101 . 8 1 1 A 89 89 ILE C C 89 174.582 176.179 -1.597 1
1 1102 . 8 1 1 A 89 89 ILE CA C 89 61.042 60.255 0.787 1
1 1103 . 8 1 1 A 89 89 ILE CB C 89 40.176 39.893 0.283 1
1 1107 . 8 1 1 A 89 89 ILE N N 89 118.669 120.706 -2.037 1
1 1108 . 8 1 1 A 90 90 ASN H H 90 9.688 8.772 0.916 1
1 1109 . 8 1 1 A 90 90 ASN HA H 90 4.281 4.292 -0.011 1
1 1114 . 8 1 1 A 90 90 ASN C C 90 171.418 174.300 -2.882 1
1 1115 . 8 1 1 A 90 90 ASN CA C 90 53.724 53.865 -0.141 1
1 1116 . 8 1 1 A 90 90 ASN CB C 90 36.919 35.972 0.947 1
1 1117 . 8 1 1 A 90 90 ASN N N 90 128.710 125.390 3.320 1
1 1119 . 8 1 1 A 91 91 GLN H H 91 10.928 8.245 2.683 1
1 1120 . 8 1 1 A 91 91 GLN HA H 91 2.586 3.498 -0.912 1
1 1127 . 8 1 1 A 91 91 GLN C C 91 170.146 174.281 -4.135 1
1 1128 . 8 1 1 A 91 91 GLN CA C 91 55.444 57.264 -1.820 1
1 1129 . 8 1 1 A 91 91 GLN CB C 91 23.948 26.643 -2.695 1
1 1131 . 8 1 1 A 91 91 GLN N N 91 112.871 112.031 0.840 1
1 1133 . 8 1 1 A 92 92 ALA H H 92 7.692 7.897 -0.205 1
1 1134 . 8 1 1 A 92 92 ALA HA H 92 4.979 5.078 -0.099 1
1 1138 . 8 1 1 A 92 92 ALA C C 92 174.068 175.350 -1.282 1
1 1139 . 8 1 1 A 92 92 ALA CA C 92 49.792 50.617 -0.825 1
1 1140 . 8 1 1 A 92 92 ALA CB C 92 21.832 22.303 -0.471 1
1 1141 . 8 1 1 A 92 92 ALA N N 92 118.287 120.548 -2.261 1
1 1142 . 8 1 1 A 93 93 THR H H 93 9.026 9.020 0.006 1
1 1143 . 8 1 1 A 93 93 THR HA H 93 5.281 5.435 -0.154 1
1 1148 . 8 1 1 A 93 93 THR C C 93 170.768 173.067 -2.299 1
1 1149 . 8 1 1 A 93 93 THR CA C 93 58.597 60.132 -1.535 1
1 1150 . 8 1 1 A 93 93 THR CB C 93 70.855 72.599 -1.744 1
1 1152 . 8 1 1 A 93 93 THR N N 93 114.894 113.408 1.486 1
1 1153 . 8 1 1 A 94 94 THR H H 94 8.292 8.807 -0.515 1
1 1154 . 8 1 1 A 94 94 THR HA H 94 4.903 5.007 -0.104 1
1 1159 . 8 1 1 A 94 94 THR CA C 94 58.800 59.458 -0.658 1
1 1160 . 8 1 1 A 94 94 THR CB C 94 71.488 72.388 -0.900 1
1 1162 . 8 1 1 A 94 94 THR N N 94 119.907 117.130 2.777 1
1 1163 . 8 1 1 A 95 95 LYS HA H 95 4.056 4.162 -0.106 1
1 1172 . 8 1 1 A 95 95 LYS CA C 95 59.376 60.383 -1.007 1
1 1173 . 8 1 1 A 95 95 LYS CB C 95 31.083 32.181 -1.098 1
1 1177 . 8 1 1 A 96 96 THR H H 96 7.773 7.940 -0.167 1
1 1178 . 8 1 1 A 96 96 THR HA H 96 3.798 4.168 -0.370 1
1 1183 . 8 1 1 A 96 96 THR C C 96 171.850 176.281 -4.431 1
1 1184 . 8 1 1 A 96 96 THR CA C 96 64.506 65.852 -1.346 1
1 1185 . 8 1 1 A 96 96 THR CB C 96 68.405 68.847 -0.442 1
1 1187 . 8 1 1 A 96 96 THR N N 96 113.841 118.156 -4.315 1
1 1188 . 8 1 1 A 97 97 THR H H 97 6.795 7.782 -0.987 1
1 1189 . 8 1 1 A 97 97 THR HA H 97 3.604 4.359 -0.755 1
1 1194 . 8 1 1 A 97 97 THR C C 97 171.959 176.420 -4.461 1
1 1195 . 8 1 1 A 97 97 THR CA C 97 61.209 63.786 -2.577 1
1 1196 . 8 1 1 A 97 97 THR CB C 97 67.962 69.225 -1.263 1
1 1198 . 8 1 1 A 97 97 THR N N 97 105.731 111.725 -5.994 1
1 1199 . 8 1 1 A 98 98 PHE H H 98 7.410 8.243 -0.833 1
1 1200 . 8 1 1 A 98 98 PHE HA H 98 4.220 4.053 0.167 1
1 1207 . 8 1 1 A 98 98 PHE C C 98 174.528 177.139 -2.611 1
1 1208 . 8 1 1 A 98 98 PHE CA C 98 61.879 61.766 0.113 1
1 1209 . 8 1 1 A 98 98 PHE CB C 98 38.875 39.208 -0.333 1
1 1214 . 8 1 1 A 98 98 PHE N N 98 126.402 123.631 2.771 1
1 1215 . 8 1 1 A 99 99 LYS H H 99 9.459 7.660 1.799 1
1 1216 . 8 1 1 A 99 99 LYS HA H 99 4.089 3.247 0.842 1
1 1225 . 8 1 1 A 99 99 LYS CA C 99 60.763 61.164 -0.401 1
1 1226 . 8 1 1 A 99 99 LYS CB C 99 28.635 30.733 -2.098 1
1 1230 . 8 1 1 A 99 99 LYS N N 99 121.490 117.471 4.019 1
1 1231 . 8 1 1 A 100 100 PRO HA H 100 4.922 4.503 0.419 1
1 1238 . 8 1 1 A 100 100 PRO C C 100 177.314 178.859 -1.545 1
1 1239 . 8 1 1 A 100 100 PRO CA C 100 66.173 65.919 0.254 1
1 1240 . 8 1 1 A 100 100 PRO CB C 100 31.535 30.421 1.114 1
1 1243 . 8 1 1 A 101 101 ASN H H 101 8.530 8.463 0.067 1
1 1244 . 8 1 1 A 101 101 ASN HA H 101 5.244 4.515 0.729 1
1 1249 . 8 1 1 A 101 101 ASN C C 101 175.204 177.847 -2.643 1
1 1250 . 8 1 1 A 101 101 ASN CA C 101 54.555 55.700 -1.145 1
1 1251 . 8 1 1 A 101 101 ASN CB C 101 36.187 37.725 -1.538 1
1 1252 . 8 1 1 A 101 101 ASN N N 101 115.238 115.781 -0.543 1
1 1254 . 8 1 1 A 102 102 THR H H 102 8.488 7.998 0.490 1
1 1255 . 8 1 1 A 102 102 THR HA H 102 4.184 3.980 0.204 1
1 1260 . 8 1 1 A 102 102 THR C C 102 171.472 176.702 -5.230 1
1 1261 . 8 1 1 A 102 102 THR CA C 102 67.543 65.757 1.786 1
1 1262 . 8 1 1 A 102 102 THR CB C 102 67.001 67.997 -0.996 1
1 1264 . 8 1 1 A 102 102 THR N N 102 120.254 111.118 9.136 1
1 1265 . 8 1 1 A 103 103 TRP H H 103 7.283 7.728 -0.445 1
1 1266 . 8 1 1 A 103 103 TRP HA H 103 3.986 4.266 -0.280 1
1 1275 . 8 1 1 A 103 103 TRP C C 103 175.800 178.050 -2.250 1
1 1276 . 8 1 1 A 103 103 TRP CA C 103 60.856 59.850 1.006 1
1 1277 . 8 1 1 A 103 103 TRP CB C 103 27.948 28.504 -0.556 1
1 1283 . 8 1 1 A 103 103 TRP N N 103 121.763 121.217 0.546 1
1 1285 . 8 1 1 A 104 104 CYS H H 104 8.233 7.736 0.497 1
1 1286 . 8 1 1 A 104 104 CYS HA H 104 4.272 3.977 0.295 1
1 1289 . 8 1 1 A 104 104 CYS C C 104 176.259 176.967 -0.708 1
1 1290 . 8 1 1 A 104 104 CYS CA C 104 65.226 62.307 2.919 1
1 1291 . 8 1 1 A 104 104 CYS CB C 104 26.949 26.402 0.547 1
1 1292 . 8 1 1 A 104 104 CYS N N 104 118.046 119.227 -1.181 1
1 1293 . 8 1 1 A 105 105 LEU H H 105 8.726 8.290 0.436 1
1 1294 . 8 1 1 A 105 105 LEU HA H 105 4.000 3.883 0.117 1
1 1304 . 8 1 1 A 105 105 LEU C C 105 176.205 178.856 -2.651 1
1 1305 . 8 1 1 A 105 105 LEU CA C 105 57.810 58.029 -0.219 1
1 1306 . 8 1 1 A 105 105 LEU CB C 105 40.484 41.381 -0.897 1
1 1310 . 8 1 1 A 105 105 LEU N N 105 120.557 120.712 -0.155 1
1 1311 . 8 1 1 A 106 106 ARG H H 106 6.990 7.912 -0.922 1
1 1312 . 8 1 1 A 106 106 ARG HA H 106 2.054 2.399 -0.345 1
1 1319 . 8 1 1 A 106 106 ARG C C 106 177.179 178.253 -1.074 1
1 1320 . 8 1 1 A 106 106 ARG CA C 106 57.405 58.146 -0.741 1
1 1321 . 8 1 1 A 106 106 ARG CB C 106 29.269 29.312 -0.043 1
1 1324 . 8 1 1 A 106 106 ARG N N 106 118.050 117.974 0.076 1
1 1325 . 8 1 1 A 107 107 CYS H H 107 7.623 8.113 -0.490 1
1 1326 . 8 1 1 A 107 107 CYS HA H 107 4.031 4.188 -0.157 1
1 1329 . 8 1 1 A 107 107 CYS C C 107 172.337 177.017 -4.680 1
1 1330 . 8 1 1 A 107 107 CYS CA C 107 63.291 61.916 1.375 1
1 1331 . 8 1 1 A 107 107 CYS CB C 107 26.214 27.080 -0.866 1
1 1332 . 8 1 1 A 107 107 CYS N N 107 117.028 119.054 -2.026 1
1 1333 . 8 1 1 A 108 108 LEU H H 108 7.484 7.587 -0.103 1
1 1334 . 8 1 1 A 108 108 LEU HA H 108 4.159 3.989 0.170 1
1 1344 . 8 1 1 A 108 108 LEU C C 108 174.582 177.890 -3.308 1
1 1345 . 8 1 1 A 108 108 LEU CA C 108 54.203 57.358 -3.155 1
1 1346 . 8 1 1 A 108 108 LEU CB C 108 41.621 41.956 -0.335 1
1 1350 . 8 1 1 A 108 108 LEU N N 108 117.680 119.070 -1.390 1
1 1351 . 8 1 1 A 109 109 TRP H H 109 7.427 7.294 0.133 1
1 1352 . 8 1 1 A 109 109 TRP HA H 109 4.828 5.033 -0.205 1
1 1361 . 8 1 1 A 109 109 TRP C C 109 173.176 176.372 -3.196 1
1 1362 . 8 1 1 A 109 109 TRP CA C 109 56.353 59.099 -2.746 1
1 1363 . 8 1 1 A 109 109 TRP CB C 109 29.743 30.148 -0.405 1
1 1369 . 8 1 1 A 109 109 TRP N N 109 119.087 120.373 -1.286 1
1 1371 . 8 1 1 A 110 110 SER H H 110 8.199 9.021 -0.822 1
1 1372 . 8 1 1 A 110 110 SER HA H 110 4.688 4.781 -0.093 1
1 1375 . 8 1 1 A 110 110 SER C C 110 171.769 174.718 -2.949 1
1 1376 . 8 1 1 A 110 110 SER CA C 110 56.324 58.666 -2.342 1
1 1377 . 8 1 1 A 110 110 SER CB C 110 64.513 64.458 0.055 1
1 1378 . 8 1 1 A 110 110 SER N N 110 115.602 121.155 -5.553 1
1 1379 . 8 1 1 A 111 111 THR H H 111 8.268 8.609 -0.341 1
1 1380 . 8 1 1 A 111 111 THR HA H 111 4.425 4.587 -0.162 1
1 1385 . 8 1 1 A 111 111 THR C C 111 171.526 174.074 -2.548 1
1 1386 . 8 1 1 A 111 111 THR CA C 111 60.861 60.997 -0.136 1
1 1387 . 8 1 1 A 111 111 THR CB C 111 69.202 70.517 -1.315 1
1 1389 . 8 1 1 A 111 111 THR N N 111 114.394 114.389 0.005 1
1 1390 . 8 1 1 A 112 112 LYS H H 112 8.240 8.954 -0.714 1
1 1391 . 8 1 1 A 112 112 LYS HA H 112 4.530 4.042 0.488 1
1 1400 . 8 1 1 A 112 112 LYS CA C 112 53.768 57.052 -3.284 1
1 1401 . 8 1 1 A 112 112 LYS CB C 112 32.067 31.244 0.823 1
1 1405 . 8 1 1 A 112 112 LYS N N 112 125.207 120.932 4.275 1
1 1406 . 8 1 1 A 113 113 PRO HA H 113 4.380 4.498 -0.118 1
1 1413 . 8 1 1 A 113 113 PRO C C 113 174.095 175.896 -1.801 1
1 1414 . 8 1 1 A 113 113 PRO CA C 113 62.381 62.890 -0.509 1
1 1415 . 8 1 1 A 113 113 PRO CB C 113 31.408 32.128 -0.720 1
1 1418 . 8 1 1 A 114 114 VAL H H 114 8.195 8.617 -0.422 1
1 1419 . 8 1 1 A 114 114 VAL HA H 114 4.029 4.407 -0.378 1
1 1427 . 8 1 1 A 114 114 VAL C C 114 173.122 175.331 -2.209 1
1 1428 . 8 1 1 A 114 114 VAL CA C 114 61.335 61.634 -0.299 1
1 1429 . 8 1 1 A 114 114 VAL CB C 114 32.153 32.163 -0.010 1
1 1432 . 8 1 1 A 114 114 VAL N N 114 120.113 123.646 -3.533 1
1 1433 . 8 1 1 A 115 115 ASP H H 115 8.345 8.647 -0.302 1
1 1434 . 8 1 1 A 115 115 ASP HA H 115 4.592 4.856 -0.264 1
1 1437 . 8 1 1 A 115 115 ASP C C 115 172.608 175.994 -3.386 1
1 1438 . 8 1 1 A 115 115 ASP CA C 115 53.202 54.158 -0.956 1
1 1439 . 8 1 1 A 115 115 ASP CB C 115 40.552 42.900 -2.348 1
1 1440 . 8 1 1 A 115 115 ASP N N 115 123.853 125.521 -1.668 1
1 1 . 9 1 1 A 2 2 TYR HA H 2 4.617 4.769 -0.152 1
1 7 . 9 1 1 A 2 2 TYR C C 2 172.716 175.973 -3.257 1
1 8 . 9 1 1 A 2 2 TYR CA C 2 56.943 59.576 -2.633 1
1 9 . 9 1 1 A 2 2 TYR CB C 2 38.050 39.900 -1.850 1
1 14 . 9 1 1 A 2 2 TYR N N 2 121.461 123.106 -1.645 1
1 15 . 9 1 1 A 3 3 THR H H 3 7.984 8.143 -0.159 1
1 16 . 9 1 1 A 3 3 THR HA H 3 4.684 3.996 0.688 1
1 21 . 9 1 1 A 3 3 THR C C 3 170.931 174.048 -3.117 1
1 22 . 9 1 1 A 3 3 THR CA C 3 60.870 63.335 -2.465 1
1 23 . 9 1 1 A 3 3 THR CB C 3 69.270 66.399 2.871 1
1 25 . 9 1 1 A 3 3 THR N N 3 117.624 113.133 4.491 1
1 26 . 9 1 1 A 4 4 GLU H H 4 8.290 7.801 0.489 1
1 27 . 9 1 1 A 4 4 GLU HA H 4 4.183 3.555 0.628 1
1 32 . 9 1 1 A 4 4 GLU C C 4 173.013 175.190 -2.177 1
1 33 . 9 1 1 A 4 4 GLU CA C 4 55.876 57.456 -1.580 1
1 34 . 9 1 1 A 4 4 GLU CB C 4 29.779 29.283 0.496 1
1 36 . 9 1 1 A 4 4 GLU N N 4 123.377 119.198 4.179 1
1 37 . 9 1 1 A 5 5 GLN H H 5 8.329 8.450 -0.121 1
1 38 . 9 1 1 A 5 5 GLN HA H 5 4.392 4.360 0.032 1
1 43 . 9 1 1 A 5 5 GLN CA C 5 52.634 54.676 -2.042 1
1 44 . 9 1 1 A 5 5 GLN CB C 5 28.759 28.002 0.757 1
1 46 . 9 1 1 A 5 5 GLN N N 5 122.599 121.558 1.041 1
1 47 . 9 1 1 A 6 6 PRO HA H 6 4.323 4.407 -0.084 1
1 54 . 9 1 1 A 6 6 PRO C C 6 173.636 176.206 -2.570 1
1 55 . 9 1 1 A 6 6 PRO CA C 6 62.080 62.421 -0.341 1
1 56 . 9 1 1 A 6 6 PRO CB C 6 30.785 31.697 -0.912 1
1 59 . 9 1 1 A 7 7 ILE H H 7 8.160 8.503 -0.343 1
1 60 . 9 1 1 A 7 7 ILE HA H 7 3.871 4.114 -0.243 1
1 70 . 9 1 1 A 7 7 ILE C C 7 172.770 176.110 -3.340 1
1 71 . 9 1 1 A 7 7 ILE CA C 7 60.589 60.682 -0.093 1
1 72 . 9 1 1 A 7 7 ILE CB C 7 38.318 35.995 2.323 1
1 76 . 9 1 1 A 7 7 ILE N N 7 121.913 122.048 -0.135 1
1 77 . 9 1 1 A 8 8 ASP H H 8 8.126 8.604 -0.478 1
1 78 . 9 1 1 A 8 8 ASP HA H 8 4.584 4.130 0.454 1
1 81 . 9 1 1 A 8 8 ASP C C 8 171.742 175.022 -3.280 1
1 82 . 9 1 1 A 8 8 ASP CA C 8 53.265 55.526 -2.261 1
1 83 . 9 1 1 A 8 8 ASP CB C 8 39.521 39.849 -0.328 1
1 84 . 9 1 1 A 8 8 ASP N N 8 124.858 123.800 1.058 1
1 85 . 9 1 1 A 9 9 LEU H H 9 7.374 7.969 -0.595 1
1 86 . 9 1 1 A 9 9 LEU HA H 9 4.506 4.292 0.214 1
1 96 . 9 1 1 A 9 9 LEU C C 9 174.041 175.837 -1.796 1
1 97 . 9 1 1 A 9 9 LEU CA C 9 53.779 55.483 -1.704 1
1 98 . 9 1 1 A 9 9 LEU CB C 9 43.411 42.593 0.818 1
1 102 . 9 1 1 A 9 9 LEU N N 9 122.151 120.069 2.082 1
1 103 . 9 1 1 A 10 10 VAL H H 10 8.827 8.936 -0.109 1
1 104 . 9 1 1 A 10 10 VAL HA H 10 4.841 5.009 -0.168 1
1 112 . 9 1 1 A 10 10 VAL CA C 10 57.706 58.251 -0.545 1
1 113 . 9 1 1 A 10 10 VAL CB C 10 33.895 34.488 -0.593 1
1 116 . 9 1 1 A 10 10 VAL N N 10 120.738 120.974 -0.236 1
1 117 . 9 1 1 A 11 11 PRO HA H 11 4.766 5.158 -0.392 1
1 124 . 9 1 1 A 11 11 PRO C C 11 173.149 175.064 -1.915 1
1 125 . 9 1 1 A 11 11 PRO CA C 11 62.417 62.432 -0.015 1
1 126 . 9 1 1 A 11 11 PRO CB C 11 32.119 33.121 -1.002 1
1 129 . 9 1 1 A 12 12 THR H H 12 7.408 8.668 -1.260 1
1 130 . 9 1 1 A 12 12 THR HA H 12 4.280 4.842 -0.562 1
1 135 . 9 1 1 A 12 12 THR C C 12 166.981 172.653 -5.672 1
1 136 . 9 1 1 A 12 12 THR CA C 12 59.142 60.075 -0.933 1
1 137 . 9 1 1 A 12 12 THR CB C 12 68.812 70.099 -1.287 1
1 139 . 9 1 1 A 12 12 THR N N 12 115.177 116.337 -1.160 1
1 140 . 9 1 1 A 13 13 GLN H H 13 7.953 8.728 -0.775 1
1 141 . 9 1 1 A 13 13 GLN HA H 13 5.073 5.027 0.046 1
1 146 . 9 1 1 A 13 13 GLN CA C 13 52.836 52.989 -0.153 1
1 147 . 9 1 1 A 13 13 GLN CB C 13 28.566 32.148 -3.582 1
1 149 . 9 1 1 A 13 13 GLN N N 13 113.324 119.823 -6.499 1
1 150 . 9 1 1 A 14 14 PRO HA H 14 4.340 4.692 -0.352 1
1 157 . 9 1 1 A 14 14 PRO C C 14 173.392 176.479 -3.087 1
1 158 . 9 1 1 A 14 14 PRO CA C 14 62.498 62.336 0.162 1
1 159 . 9 1 1 A 14 14 PRO CB C 14 31.565 32.507 -0.942 1
1 162 . 9 1 1 A 15 15 LEU H H 15 8.764 8.406 0.358 1
1 163 . 9 1 1 A 15 15 LEU HA H 15 4.511 4.493 0.018 1
1 173 . 9 1 1 A 15 15 LEU CA C 15 52.597 53.448 -0.851 1
1 174 . 9 1 1 A 15 15 LEU CB C 15 40.769 41.028 -0.259 1
1 178 . 9 1 1 A 15 15 LEU N N 15 124.665 122.031 2.634 1
1 179 . 9 1 1 A 16 16 PRO HA H 16 4.325 4.341 -0.016 1
1 186 . 9 1 1 A 16 16 PRO CA C 16 63.358 63.739 -0.381 1
1 187 . 9 1 1 A 16 16 PRO CB C 16 31.187 31.836 -0.649 1
1 190 . 9 1 1 A 17 17 ASN H H 17 8.682 8.968 -0.286 1
1 191 . 9 1 1 A 17 17 ASN HA H 17 4.586 4.361 0.225 1
1 196 . 9 1 1 A 17 17 ASN C C 17 174.691 174.650 0.041 1
1 197 . 9 1 1 A 17 17 ASN CA C 17 52.745 55.033 -2.288 1
1 198 . 9 1 1 A 17 17 ASN CB C 17 36.762 37.312 -0.550 1
1 199 . 9 1 1 A 17 17 ASN N N 17 114.315 115.068 -0.753 1
1 201 . 9 1 1 A 18 18 ALA H H 18 7.283 7.617 -0.334 1
1 202 . 9 1 1 A 18 18 ALA HA H 18 4.569 4.377 0.192 1
1 206 . 9 1 1 A 18 18 ALA C C 18 174.041 177.347 -3.306 1
1 207 . 9 1 1 A 18 18 ALA CA C 18 51.618 53.336 -1.718 1
1 208 . 9 1 1 A 18 18 ALA CB C 18 20.698 19.119 1.579 1
1 209 . 9 1 1 A 18 18 ALA N N 18 121.620 122.604 -0.984 1
1 210 . 9 1 1 A 19 19 SER H H 19 8.744 9.156 -0.412 1
1 211 . 9 1 1 A 19 19 SER HA H 19 4.479 4.825 -0.346 1
1 214 . 9 1 1 A 19 19 SER C C 19 169.984 172.377 -2.393 1
1 215 . 9 1 1 A 19 19 SER CA C 19 56.634 57.803 -1.169 1
1 216 . 9 1 1 A 19 19 SER CB C 19 65.044 66.603 -1.559 1
1 217 . 9 1 1 A 19 19 SER N N 19 113.995 119.691 -5.696 1
1 218 . 9 1 1 A 20 20 PHE H H 20 7.753 7.768 -0.015 1
1 219 . 9 1 1 A 20 20 PHE HA H 20 3.514 3.697 -0.183 1
1 226 . 9 1 1 A 20 20 PHE C C 20 172.635 174.177 -1.542 1
1 227 . 9 1 1 A 20 20 PHE CA C 20 58.070 58.365 -0.295 1
1 228 . 9 1 1 A 20 20 PHE CB C 20 37.588 38.826 -1.238 1
1 233 . 9 1 1 A 20 20 PHE N N 20 124.690 126.310 -1.620 1
1 234 . 9 1 1 A 21 21 ASP H H 21 8.288 7.552 0.736 1
1 235 . 9 1 1 A 21 21 ASP HA H 21 4.351 4.745 -0.394 1
1 238 . 9 1 1 A 21 21 ASP CA C 21 51.826 51.816 0.010 1
1 239 . 9 1 1 A 21 21 ASP CB C 21 38.598 45.103 -6.505 1
1 240 . 9 1 1 A 21 21 ASP N N 21 127.080 123.748 3.332 1
1 241 . 9 1 1 A 22 22 ASN HA H 22 3.766 4.683 -0.917 1
1 246 . 9 1 1 A 22 22 ASN C C 22 171.688 175.017 -3.329 1
1 247 . 9 1 1 A 22 22 ASN CA C 22 54.954 53.332 1.622 1
1 248 . 9 1 1 A 22 22 ASN CB C 22 37.641 37.836 -0.195 1
1 250 . 9 1 1 A 23 23 PHE H H 23 5.484 7.242 -1.758 1
1 251 . 9 1 1 A 23 23 PHE HA H 23 4.804 4.414 0.390 1
1 259 . 9 1 1 A 23 23 PHE C C 23 169.768 174.614 -4.846 1
1 260 . 9 1 1 A 23 23 PHE CA C 23 54.649 56.906 -2.257 1
1 261 . 9 1 1 A 23 23 PHE CB C 23 39.850 39.400 0.450 1
1 267 . 9 1 1 A 23 23 PHE N N 23 112.858 117.961 -5.103 1
1 268 . 9 1 1 A 24 24 LYS H H 24 8.329 8.841 -0.512 1
1 269 . 9 1 1 A 24 24 LYS HA H 24 3.719 4.248 -0.529 1
1 278 . 9 1 1 A 24 24 LYS C C 24 171.959 176.064 -4.105 1
1 279 . 9 1 1 A 24 24 LYS CA C 24 53.756 54.636 -0.880 1
1 280 . 9 1 1 A 24 24 LYS CB C 24 36.279 33.902 2.377 1
1 284 . 9 1 1 A 24 24 LYS N N 24 119.724 121.825 -2.101 1
1 285 . 9 1 1 A 25 25 LEU H H 25 9.144 8.599 0.545 1
1 286 . 9 1 1 A 25 25 LEU HA H 25 5.462 5.279 0.183 1
1 296 . 9 1 1 A 25 25 LEU C C 25 174.609 175.729 -1.120 1
1 297 . 9 1 1 A 25 25 LEU CA C 25 53.208 52.806 0.402 1
1 298 . 9 1 1 A 25 25 LEU CB C 25 41.419 45.080 -3.661 1
1 302 . 9 1 1 A 25 25 LEU N N 25 126.849 121.463 5.386 1
1 303 . 9 1 1 A 26 26 THR H H 26 8.956 8.756 0.200 1
1 304 . 9 1 1 A 26 26 THR HA H 26 4.471 5.231 -0.760 1
1 309 . 9 1 1 A 26 26 THR C C 26 169.524 172.756 -3.232 1
1 310 . 9 1 1 A 26 26 THR CA C 26 58.769 59.855 -1.086 1
1 311 . 9 1 1 A 26 26 THR CB C 26 69.971 72.646 -2.675 1
1 313 . 9 1 1 A 26 26 THR N N 26 113.907 110.331 3.576 1
1 314 . 9 1 1 A 27 27 CYS H H 27 8.507 8.613 -0.106 1
1 315 . 9 1 1 A 27 27 CYS HA H 27 4.509 4.953 -0.444 1
1 318 . 9 1 1 A 27 27 CYS C C 27 169.984 173.984 -4.000 1
1 319 . 9 1 1 A 27 27 CYS CA C 27 57.948 57.964 -0.016 1
1 320 . 9 1 1 A 27 27 CYS CB C 27 29.529 32.199 -2.670 1
1 321 . 9 1 1 A 27 27 CYS N N 27 120.842 119.601 1.241 1
1 322 . 9 1 1 A 28 28 SER H H 28 9.044 8.254 0.790 1
1 323 . 9 1 1 A 28 28 SER HA H 28 4.140 4.525 -0.385 1
1 326 . 9 1 1 A 28 28 SER C C 28 172.716 174.230 -1.514 1
1 327 . 9 1 1 A 28 28 SER CA C 28 60.986 59.954 1.032 1
1 328 . 9 1 1 A 28 28 SER CB C 28 61.437 63.524 -2.087 1
1 329 . 9 1 1 A 28 28 SER N N 28 124.898 117.680 7.218 1
1 330 . 9 1 1 A 29 29 ASN H H 29 7.825 7.935 -0.110 1
1 331 . 9 1 1 A 29 29 ASN HA H 29 4.951 5.152 -0.201 1
1 336 . 9 1 1 A 29 29 ASN C C 29 171.688 176.102 -4.414 1
1 337 . 9 1 1 A 29 29 ASN CA C 29 52.155 51.973 0.182 1
1 338 . 9 1 1 A 29 29 ASN CB C 29 36.980 40.542 -3.562 1
1 339 . 9 1 1 A 29 29 ASN N N 29 121.001 120.309 0.692 1
1 341 . 9 1 1 A 30 30 THR H H 30 8.062 9.013 -0.951 1
1 342 . 9 1 1 A 30 30 THR HA H 30 3.901 4.059 -0.158 1
1 347 . 9 1 1 A 30 30 THR C C 30 173.338 176.735 -3.397 1
1 348 . 9 1 1 A 30 30 THR CA C 30 64.874 66.481 -1.607 1
1 349 . 9 1 1 A 30 30 THR CB C 30 67.715 68.617 -0.902 1
1 351 . 9 1 1 A 30 30 THR N N 30 119.799 119.631 0.168 1
1 352 . 9 1 1 A 31 31 LYS H H 31 8.015 8.228 -0.213 1
1 353 . 9 1 1 A 31 31 LYS HA H 31 4.119 3.964 0.155 1
1 362 . 9 1 1 A 31 31 LYS C C 31 174.231 178.562 -4.331 1
1 363 . 9 1 1 A 31 31 LYS CA C 31 58.286 59.556 -1.270 1
1 364 . 9 1 1 A 31 31 LYS CB C 31 31.547 32.109 -0.562 1
1 368 . 9 1 1 A 31 31 LYS N N 31 122.845 122.209 0.636 1
1 369 . 9 1 1 A 32 32 PHE H H 32 7.739 8.459 -0.720 1
1 370 . 9 1 1 A 32 32 PHE HA H 32 4.652 4.266 0.386 1
1 378 . 9 1 1 A 32 32 PHE C C 32 174.691 177.581 -2.890 1
1 379 . 9 1 1 A 32 32 PHE CA C 32 59.954 61.979 -2.025 1
1 380 . 9 1 1 A 32 32 PHE CB C 32 38.444 39.178 -0.734 1
1 386 . 9 1 1 A 32 32 PHE N N 32 120.100 121.236 -1.136 1
1 387 . 9 1 1 A 33 33 ALA H H 33 6.955 8.215 -1.260 1
1 388 . 9 1 1 A 33 33 ALA HA H 33 3.555 4.084 -0.529 1
1 392 . 9 1 1 A 33 33 ALA C C 33 175.502 179.511 -4.009 1
1 393 . 9 1 1 A 33 33 ALA CA C 33 54.703 55.024 -0.321 1
1 394 . 9 1 1 A 33 33 ALA CB C 33 17.085 18.084 -0.999 1
1 395 . 9 1 1 A 33 33 ALA N N 33 116.140 120.878 -4.738 1
1 396 . 9 1 1 A 34 34 ASP H H 34 8.795 8.283 0.512 1
1 397 . 9 1 1 A 34 34 ASP HA H 34 4.367 4.394 -0.027 1
1 400 . 9 1 1 A 34 34 ASP C C 34 176.854 178.223 -1.369 1
1 401 . 9 1 1 A 34 34 ASP CA C 34 56.911 57.452 -0.541 1
1 402 . 9 1 1 A 34 34 ASP CB C 34 39.495 41.311 -1.816 1
1 403 . 9 1 1 A 34 34 ASP N N 34 118.170 118.877 -0.707 1
1 404 . 9 1 1 A 35 35 ASP H H 35 8.791 8.587 0.204 1
1 405 . 9 1 1 A 35 35 ASP HA H 35 4.360 4.440 -0.080 1
1 408 . 9 1 1 A 35 35 ASP C C 35 177.233 178.951 -1.718 1
1 409 . 9 1 1 A 35 35 ASP CA C 35 56.890 57.442 -0.552 1
1 410 . 9 1 1 A 35 35 ASP CB C 35 39.291 40.721 -1.430 1
1 411 . 9 1 1 A 35 35 ASP N N 35 121.921 120.065 1.856 1
1 412 . 9 1 1 A 36 36 LEU H H 36 7.792 7.955 -0.163 1
1 413 . 9 1 1 A 36 36 LEU HA H 36 4.162 3.934 0.228 1
1 423 . 9 1 1 A 36 36 LEU C C 36 176.097 179.081 -2.984 1
1 424 . 9 1 1 A 36 36 LEU CA C 36 57.508 58.010 -0.502 1
1 425 . 9 1 1 A 36 36 LEU CB C 36 41.523 41.347 0.176 1
1 429 . 9 1 1 A 36 36 LEU N N 36 121.822 120.794 1.028 1
1 430 . 9 1 1 A 37 37 ASN H H 37 9.015 8.411 0.604 1
1 431 . 9 1 1 A 37 37 ASN HA H 37 4.733 4.547 0.186 1
1 436 . 9 1 1 A 37 37 ASN C C 37 176.232 178.443 -2.211 1
1 437 . 9 1 1 A 37 37 ASN CA C 37 54.288 56.293 -2.005 1
1 438 . 9 1 1 A 37 37 ASN CB C 37 37.337 37.875 -0.538 1
1 439 . 9 1 1 A 37 37 ASN N N 37 116.904 117.665 -0.761 1
1 441 . 9 1 1 A 38 38 GLN H H 38 8.218 7.789 0.429 1
1 442 . 9 1 1 A 38 38 GLN HA H 38 4.074 4.191 -0.117 1
1 447 . 9 1 1 A 38 38 GLN C C 38 175.773 177.490 -1.717 1
1 448 . 9 1 1 A 38 38 GLN CA C 38 58.134 58.204 -0.070 1
1 449 . 9 1 1 A 38 38 GLN CB C 38 27.676 28.584 -0.908 1
1 451 . 9 1 1 A 38 38 GLN N N 38 121.443 119.742 1.701 1
1 452 . 9 1 1 A 39 39 MET H H 39 7.487 7.622 -0.135 1
1 453 . 9 1 1 A 39 39 MET HA H 39 3.967 4.453 -0.486 1
1 461 . 9 1 1 A 39 39 MET C C 39 176.259 177.890 -1.631 1
1 462 . 9 1 1 A 39 39 MET CA C 39 58.374 57.703 0.671 1
1 463 . 9 1 1 A 39 39 MET CB C 39 33.000 33.034 -0.034 1
1 466 . 9 1 1 A 39 39 MET N N 39 118.793 118.596 0.197 1
1 467 . 9 1 1 A 40 40 THR H H 40 7.873 7.496 0.377 1
1 468 . 9 1 1 A 40 40 THR HA H 40 3.769 4.054 -0.285 1
1 473 . 9 1 1 A 40 40 THR C C 40 173.906 175.564 -1.658 1
1 474 . 9 1 1 A 40 40 THR CA C 40 61.739 62.722 -0.983 1
1 475 . 9 1 1 A 40 40 THR CB C 40 68.427 69.502 -1.075 1
1 477 . 9 1 1 A 40 40 THR N N 40 108.945 108.382 0.563 1
1 478 . 9 1 1 A 41 41 GLY H H 41 7.199 7.905 -0.706 1
1 479 . 9 1 1 A 41 41 GLY HA2 H 41 3.899 3.854 0.045 1
1 480 . 9 1 1 A 41 41 GLY HA3 H 41 3.662 3.856 -0.194 1
1 481 . 9 1 1 A 41 41 GLY C C 41 171.661 174.370 -2.709 1
1 482 . 9 1 1 A 41 41 GLY CA C 41 44.926 45.342 -0.416 1
1 483 . 9 1 1 A 41 41 GLY N N 41 106.430 111.098 -4.668 1
1 484 . 9 1 1 A 42 42 PHE H H 42 7.876 7.858 0.018 1
1 485 . 9 1 1 A 42 42 PHE HA H 42 4.682 4.594 0.088 1
1 493 . 9 1 1 A 42 42 PHE C C 42 171.499 174.898 -3.399 1
1 494 . 9 1 1 A 42 42 PHE CA C 42 57.793 59.242 -1.449 1
1 495 . 9 1 1 A 42 42 PHE CB C 42 39.422 39.778 -0.356 1
1 501 . 9 1 1 A 42 42 PHE N N 42 122.221 121.687 0.534 1
1 502 . 9 1 1 A 43 43 THR H H 43 8.418 8.563 -0.145 1
1 503 . 9 1 1 A 43 43 THR HA H 43 3.665 4.148 -0.483 1
1 508 . 9 1 1 A 43 43 THR C C 43 168.767 173.504 -4.737 1
1 509 . 9 1 1 A 43 43 THR CA C 43 59.002 60.704 -1.702 1
1 510 . 9 1 1 A 43 43 THR CB C 43 70.919 71.262 -0.343 1
1 512 . 9 1 1 A 43 43 THR N N 43 123.470 123.217 0.253 1
1 513 . 9 1 1 A 44 44 LYS H H 44 7.999 8.094 -0.095 1
1 514 . 9 1 1 A 44 44 LYS HA H 44 3.924 4.580 -0.656 1
1 523 . 9 1 1 A 44 44 LYS CA C 44 54.785 54.867 -0.082 1
1 524 . 9 1 1 A 44 44 LYS CB C 44 31.047 31.395 -0.348 1
1 528 . 9 1 1 A 44 44 LYS N N 44 124.728 126.176 -1.448 1
1 529 . 9 1 1 A 45 45 PRO HA H 45 4.581 4.541 0.040 1
1 536 . 9 1 1 A 45 45 PRO C C 45 172.770 177.056 -4.286 1
1 537 . 9 1 1 A 45 45 PRO CA C 45 60.970 62.644 -1.674 1
1 538 . 9 1 1 A 45 45 PRO CB C 45 33.754 32.392 1.362 1
1 541 . 9 1 1 A 46 46 ALA H H 46 8.715 8.495 0.220 1
1 542 . 9 1 1 A 46 46 ALA HA H 46 4.674 4.930 -0.256 1
1 546 . 9 1 1 A 46 46 ALA C C 46 175.827 178.047 -2.220 1
1 547 . 9 1 1 A 46 46 ALA CA C 46 50.851 52.136 -1.285 1
1 548 . 9 1 1 A 46 46 ALA CB C 46 20.458 19.639 0.819 1
1 549 . 9 1 1 A 46 46 ALA N N 46 123.249 125.242 -1.993 1
1 550 . 9 1 1 A 47 47 SER H H 47 8.518 9.107 -0.589 1
1 551 . 9 1 1 A 47 47 SER HA H 47 4.202 4.514 -0.312 1
1 554 . 9 1 1 A 47 47 SER C C 47 171.769 174.707 -2.938 1
1 555 . 9 1 1 A 47 47 SER CA C 47 58.740 60.328 -1.588 1
1 556 . 9 1 1 A 47 47 SER CB C 47 62.419 64.267 -1.848 1
1 557 . 9 1 1 A 47 47 SER N N 47 117.696 115.993 1.703 1
1 558 . 9 1 1 A 48 48 ARG H H 48 7.276 7.700 -0.424 1
1 559 . 9 1 1 A 48 48 ARG HA H 48 4.466 4.688 -0.222 1
1 566 . 9 1 1 A 48 48 ARG C C 48 170.417 173.394 -2.977 1
1 567 . 9 1 1 A 48 48 ARG CA C 48 54.164 54.842 -0.678 1
1 568 . 9 1 1 A 48 48 ARG CB C 48 29.775 32.850 -3.075 1
1 571 . 9 1 1 A 48 48 ARG N N 48 115.830 114.988 0.842 1
1 572 . 9 1 1 A 49 49 GLU H H 49 8.681 8.698 -0.017 1
1 573 . 9 1 1 A 49 49 GLU HA H 49 5.373 5.263 0.110 1
1 578 . 9 1 1 A 49 49 GLU C C 49 172.716 175.429 -2.713 1
1 579 . 9 1 1 A 49 49 GLU CA C 49 53.744 54.859 -1.115 1
1 580 . 9 1 1 A 49 49 GLU CB C 49 32.057 32.094 -0.037 1
1 582 . 9 1 1 A 49 49 GLU N N 49 119.800 118.493 1.307 1
1 583 . 9 1 1 A 50 50 LEU H H 50 8.720 9.007 -0.287 1
1 584 . 9 1 1 A 50 50 LEU HA H 50 4.821 4.813 0.008 1
1 594 . 9 1 1 A 50 50 LEU C C 50 171.932 175.113 -3.181 1
1 595 . 9 1 1 A 50 50 LEU CA C 50 52.447 53.800 -1.353 1
1 596 . 9 1 1 A 50 50 LEU CB C 50 44.748 43.264 1.484 1
1 600 . 9 1 1 A 50 50 LEU N N 50 124.747 125.700 -0.953 1
1 601 . 9 1 1 A 51 51 SER H H 51 9.560 8.514 1.046 1
1 602 . 9 1 1 A 51 51 SER HA H 51 4.881 5.405 -0.524 1
1 605 . 9 1 1 A 51 51 SER C C 51 171.769 172.506 -0.737 1
1 606 . 9 1 1 A 51 51 SER CA C 51 55.707 57.306 -1.599 1
1 607 . 9 1 1 A 51 51 SER CB C 51 64.701 66.572 -1.871 1
1 608 . 9 1 1 A 51 51 SER N N 51 119.156 115.878 3.278 1
1 609 . 9 1 1 A 52 52 VAL H H 52 8.416 8.962 -0.546 1
1 610 . 9 1 1 A 52 52 VAL HA H 52 5.196 4.851 0.345 1
1 618 . 9 1 1 A 52 52 VAL CA C 52 59.207 61.087 -1.880 1
1 619 . 9 1 1 A 52 52 VAL CB C 52 33.156 33.826 -0.670 1
1 622 . 9 1 1 A 52 52 VAL N N 52 121.797 124.570 -2.773 1
1 623 . 9 1 1 A 53 53 THR H H 53 8.383 8.736 -0.353 1
1 624 . 9 1 1 A 53 53 THR HA H 53 4.358 5.168 -0.810 1
1 629 . 9 1 1 A 53 53 THR C C 53 169.741 173.406 -3.665 1
1 630 . 9 1 1 A 53 53 THR CA C 53 58.375 59.648 -1.273 1
1 631 . 9 1 1 A 53 53 THR CB C 53 70.707 71.363 -0.656 1
1 633 . 9 1 1 A 53 53 THR N N 53 117.287 118.361 -1.074 1
1 634 . 9 1 1 A 54 54 PHE H H 54 8.737 9.011 -0.274 1
1 635 . 9 1 1 A 54 54 PHE HA H 54 4.536 4.794 -0.258 1
1 643 . 9 1 1 A 54 54 PHE C C 54 172.986 175.829 -2.843 1
1 644 . 9 1 1 A 54 54 PHE CA C 54 57.064 56.987 0.077 1
1 645 . 9 1 1 A 54 54 PHE CB C 54 38.755 39.528 -0.773 1
1 651 . 9 1 1 A 54 54 PHE N N 54 118.180 123.289 -5.109 1
1 652 . 9 1 1 A 55 55 PHE H H 55 9.167 8.916 0.251 1
1 653 . 9 1 1 A 55 55 PHE HA H 55 3.715 4.589 -0.874 1
1 660 . 9 1 1 A 55 55 PHE CA C 55 57.908 57.093 0.815 1
1 661 . 9 1 1 A 55 55 PHE CB C 55 39.594 38.811 0.783 1
1 666 . 9 1 1 A 55 55 PHE N N 55 128.290 124.053 4.237 1
1 667 . 9 1 1 A 56 56 PRO HA H 56 2.356 3.438 -1.082 1
1 674 . 9 1 1 A 56 56 PRO C C 56 171.012 174.799 -3.787 1
1 675 . 9 1 1 A 56 56 PRO CA C 56 62.611 61.742 0.869 1
1 676 . 9 1 1 A 56 56 PRO CB C 56 32.522 29.950 2.572 1
1 679 . 9 1 1 A 57 57 ASP H H 57 9.009 8.451 0.558 1
1 680 . 9 1 1 A 57 57 ASP HA H 57 4.289 4.819 -0.530 1
1 683 . 9 1 1 A 57 57 ASP C C 57 173.257 174.188 -0.931 1
1 684 . 9 1 1 A 57 57 ASP CA C 57 53.752 53.498 0.254 1
1 685 . 9 1 1 A 57 57 ASP CB C 57 40.067 43.908 -3.841 1
1 686 . 9 1 1 A 57 57 ASP N N 57 127.876 122.570 5.306 1
1 687 . 9 1 1 A 58 58 LEU H H 58 8.368 8.587 -0.219 1
1 688 . 9 1 1 A 58 58 LEU HA H 58 4.229 4.808 -0.579 1
1 698 . 9 1 1 A 58 58 LEU C C 58 174.285 177.342 -3.057 1
1 699 . 9 1 1 A 58 58 LEU CA C 58 52.468 53.251 -0.783 1
1 700 . 9 1 1 A 58 58 LEU CB C 58 40.258 41.690 -1.432 1
1 704 . 9 1 1 A 58 58 LEU N N 58 128.010 121.883 6.127 1
1 705 . 9 1 1 A 59 59 ASN H H 59 8.430 8.051 0.379 1
1 706 . 9 1 1 A 59 59 ASN HA H 59 4.198 4.758 -0.560 1
1 711 . 9 1 1 A 59 59 ASN C C 59 173.636 176.440 -2.804 1
1 712 . 9 1 1 A 59 59 ASN CA C 59 54.945 55.303 -0.358 1
1 713 . 9 1 1 A 59 59 ASN CB C 59 38.175 38.942 -0.767 1
1 714 . 9 1 1 A 59 59 ASN N N 59 116.745 119.592 -2.847 1
1 716 . 9 1 1 A 60 60 GLY H H 60 8.083 7.725 0.358 1
1 717 . 9 1 1 A 60 60 GLY HA2 H 60 3.766 4.026 -0.260 1
1 718 . 9 1 1 A 60 60 GLY HA3 H 60 3.326 4.037 -0.711 1
1 719 . 9 1 1 A 60 60 GLY C C 60 169.876 174.889 -5.013 1
1 720 . 9 1 1 A 60 60 GLY CA C 60 44.285 44.995 -0.710 1
1 721 . 9 1 1 A 60 60 GLY N N 60 110.045 107.972 2.073 1
1 722 . 9 1 1 A 61 61 ASP H H 61 8.084 8.763 -0.679 1
1 723 . 9 1 1 A 61 61 ASP HA H 61 4.200 4.451 -0.251 1
1 726 . 9 1 1 A 61 61 ASP C C 61 172.283 175.454 -3.171 1
1 727 . 9 1 1 A 61 61 ASP CA C 61 56.865 55.786 1.079 1
1 728 . 9 1 1 A 61 61 ASP CB C 61 42.113 40.931 1.182 1
1 729 . 9 1 1 A 61 61 ASP N N 61 121.395 119.413 1.982 1
1 730 . 9 1 1 A 62 62 VAL H H 62 8.387 7.833 0.554 1
1 731 . 9 1 1 A 62 62 VAL HA H 62 4.096 4.698 -0.602 1
1 739 . 9 1 1 A 62 62 VAL C C 62 171.255 174.322 -3.067 1
1 740 . 9 1 1 A 62 62 VAL CA C 62 58.914 60.117 -1.203 1
1 741 . 9 1 1 A 62 62 VAL CB C 62 34.433 36.024 -1.591 1
1 744 . 9 1 1 A 62 62 VAL N N 62 117.701 118.042 -0.341 1
1 745 . 9 1 1 A 63 63 VAL H H 63 8.251 8.147 0.104 1
1 746 . 9 1 1 A 63 63 VAL HA H 63 4.637 4.983 -0.346 1
1 754 . 9 1 1 A 63 63 VAL C C 63 171.282 174.411 -3.129 1
1 755 . 9 1 1 A 63 63 VAL CA C 63 59.233 59.962 -0.729 1
1 756 . 9 1 1 A 63 63 VAL CB C 63 33.531 35.690 -2.159 1
1 759 . 9 1 1 A 63 63 VAL N N 63 125.341 125.012 0.329 1
1 760 . 9 1 1 A 64 64 ALA H H 64 9.316 9.064 0.252 1
1 761 . 9 1 1 A 64 64 ALA HA H 64 5.036 5.595 -0.559 1
1 765 . 9 1 1 A 64 64 ALA C C 64 173.825 175.899 -2.074 1
1 766 . 9 1 1 A 64 64 ALA CA C 64 49.059 50.274 -1.215 1
1 767 . 9 1 1 A 64 64 ALA CB C 64 20.323 23.245 -2.922 1
1 768 . 9 1 1 A 64 64 ALA N N 64 128.526 126.237 2.289 1
1 769 . 9 1 1 A 65 65 ILE H H 65 9.451 9.311 0.140 1
1 770 . 9 1 1 A 65 65 ILE HA H 65 4.475 4.885 -0.410 1
1 780 . 9 1 1 A 65 65 ILE C C 65 172.121 175.017 -2.896 1
1 781 . 9 1 1 A 65 65 ILE CA C 65 56.490 59.656 -3.166 1
1 782 . 9 1 1 A 65 65 ILE CB C 65 37.474 41.676 -4.202 1
1 786 . 9 1 1 A 65 65 ILE N N 65 126.677 120.790 5.887 1
1 787 . 9 1 1 A 66 66 ASP H H 66 9.165 8.714 0.451 1
1 788 . 9 1 1 A 66 66 ASP HA H 66 4.045 3.923 0.122 1
1 791 . 9 1 1 A 66 66 ASP C C 66 174.663 177.074 -2.411 1
1 792 . 9 1 1 A 66 66 ASP CA C 66 54.199 54.389 -0.190 1
1 793 . 9 1 1 A 66 66 ASP CB C 66 42.211 42.038 0.173 1
1 794 . 9 1 1 A 66 66 ASP N N 66 128.723 126.960 1.763 1
1 795 . 9 1 1 A 67 67 TYR H H 67 8.919 9.144 -0.225 1
1 796 . 9 1 1 A 67 67 TYR HA H 67 4.344 4.211 0.133 1
1 801 . 9 1 1 A 67 67 TYR C C 67 173.257 177.138 -3.881 1
1 802 . 9 1 1 A 67 67 TYR CA C 67 59.614 62.075 -2.461 1
1 803 . 9 1 1 A 67 67 TYR CB C 67 39.338 38.990 0.348 1
1 806 . 9 1 1 A 67 67 TYR N N 67 127.739 128.383 -0.644 1
1 807 . 9 1 1 A 68 68 ARG H H 68 9.459 8.455 1.004 1
1 808 . 9 1 1 A 68 68 ARG HA H 68 3.923 4.001 -0.078 1
1 815 . 9 1 1 A 68 68 ARG C C 68 174.150 177.758 -3.608 1
1 816 . 9 1 1 A 68 68 ARG CA C 68 57.691 59.463 -1.772 1
1 817 . 9 1 1 A 68 68 ARG CB C 68 27.945 29.988 -2.043 1
1 820 . 9 1 1 A 68 68 ARG N N 68 121.666 118.387 3.279 1
1 821 . 9 1 1 A 69 69 HIS H H 69 8.146 7.779 0.367 1
1 822 . 9 1 1 A 69 69 HIS HA H 69 4.538 4.501 0.037 1
1 826 . 9 1 1 A 69 69 HIS C C 69 171.391 174.767 -3.376 1
1 827 . 9 1 1 A 69 69 HIS CA C 69 55.405 56.411 -1.006 1
1 828 . 9 1 1 A 69 69 HIS CB C 69 29.458 29.357 0.101 1
1 830 . 9 1 1 A 69 69 HIS N N 69 117.372 115.521 1.851 1
1 831 . 9 1 1 A 70 70 TYR H H 70 7.468 7.588 -0.120 1
1 832 . 9 1 1 A 70 70 TYR HA H 70 3.431 3.619 -0.188 1
1 839 . 9 1 1 A 70 70 TYR C C 70 171.904 174.528 -2.624 1
1 840 . 9 1 1 A 70 70 TYR CA C 70 60.020 55.569 4.451 1
1 841 . 9 1 1 A 70 70 TYR CB C 70 37.554 36.691 0.863 1
1 846 . 9 1 1 A 70 70 TYR N N 70 121.636 122.359 -0.723 1
1 847 . 9 1 1 A 71 71 SER H H 71 5.657 9.208 -3.551 1
1 848 . 9 1 1 A 71 71 SER HA H 71 3.958 4.431 -0.473 1
1 851 . 9 1 1 A 71 71 SER C C 71 170.390 175.177 -4.787 1
1 852 . 9 1 1 A 71 71 SER CA C 71 55.267 57.487 -2.220 1
1 853 . 9 1 1 A 71 71 SER CB C 71 64.410 64.379 0.031 1
1 854 . 9 1 1 A 71 71 SER N N 71 120.240 122.357 -2.117 1
1 855 . 9 1 1 A 72 72 ALA H H 72 8.461 8.898 -0.437 1
1 856 . 9 1 1 A 72 72 ALA HA H 72 3.757 3.964 -0.207 1
1 860 . 9 1 1 A 72 72 ALA CA C 72 54.250 54.118 0.132 1
1 861 . 9 1 1 A 72 72 ALA CB C 72 17.423 18.347 -0.924 1
1 862 . 9 1 1 A 72 72 ALA N N 72 123.497 126.838 -3.341 1
1 863 . 9 1 1 A 73 73 SER HA H 73 3.904 3.835 0.069 1
1 866 . 9 1 1 A 73 73 SER C C 73 172.500 175.815 -3.315 1
1 867 . 9 1 1 A 73 73 SER CA C 73 59.873 62.046 -2.173 1
1 868 . 9 1 1 A 73 73 SER CB C 73 61.769 62.104 -0.335 1
1 869 . 9 1 1 A 74 74 PHE H H 74 7.508 7.541 -0.033 1
1 870 . 9 1 1 A 74 74 PHE HA H 74 5.163 4.717 0.446 1
1 877 . 9 1 1 A 74 74 PHE C C 74 173.987 176.474 -2.487 1
1 878 . 9 1 1 A 74 74 PHE CA C 74 53.320 58.815 -5.495 1
1 879 . 9 1 1 A 74 74 PHE CB C 74 37.854 38.450 -0.596 1
1 884 . 9 1 1 A 74 74 PHE N N 74 118.853 117.528 1.325 1
1 885 . 9 1 1 A 75 75 LYS H H 75 7.245 7.748 -0.503 1
1 886 . 9 1 1 A 75 75 LYS HA H 75 4.200 3.999 0.201 1
1 895 . 9 1 1 A 75 75 LYS C C 75 173.717 177.561 -3.844 1
1 896 . 9 1 1 A 75 75 LYS CA C 75 59.003 59.776 -0.773 1
1 897 . 9 1 1 A 75 75 LYS CB C 75 31.846 32.038 -0.192 1
1 901 . 9 1 1 A 75 75 LYS N N 75 121.129 122.708 -1.579 1
1 902 . 9 1 1 A 76 76 LYS H H 76 7.841 7.845 -0.004 1
1 903 . 9 1 1 A 76 76 LYS HA H 76 3.738 2.463 1.275 1
1 912 . 9 1 1 A 76 76 LYS C C 76 170.200 175.400 -5.200 1
1 913 . 9 1 1 A 76 76 LYS CA C 76 55.114 54.597 0.517 1
1 914 . 9 1 1 A 76 76 LYS CB C 76 32.393 32.696 -0.303 1
1 918 . 9 1 1 A 76 76 LYS N N 76 114.423 116.016 -1.593 1
1 919 . 9 1 1 A 77 77 GLY H H 77 7.239 7.057 0.182 1
1 920 . 9 1 1 A 77 77 GLY HA2 H 77 3.737 4.051 -0.314 1
1 921 . 9 1 1 A 77 77 GLY HA3 H 77 4.771 4.082 0.689 1
1 922 . 9 1 1 A 77 77 GLY C C 77 170.795 171.806 -1.011 1
1 923 . 9 1 1 A 77 77 GLY CA C 77 43.770 44.344 -0.574 1
1 924 . 9 1 1 A 77 77 GLY N N 77 103.318 107.265 -3.947 1
1 925 . 9 1 1 A 78 78 ALA H H 78 6.868 8.308 -1.440 1
1 926 . 9 1 1 A 78 78 ALA HA H 78 4.982 5.279 -0.297 1
1 930 . 9 1 1 A 78 78 ALA C C 78 171.904 175.733 -3.829 1
1 931 . 9 1 1 A 78 78 ALA CA C 78 49.907 51.297 -1.390 1
1 932 . 9 1 1 A 78 78 ALA CB C 78 22.601 23.483 -0.882 1
1 933 . 9 1 1 A 78 78 ALA N N 78 117.057 120.836 -3.779 1
1 934 . 9 1 1 A 79 79 LYS H H 79 8.765 8.995 -0.230 1
1 935 . 9 1 1 A 79 79 LYS HA H 79 4.636 4.935 -0.299 1
1 944 . 9 1 1 A 79 79 LYS C C 79 171.039 174.068 -3.029 1
1 945 . 9 1 1 A 79 79 LYS CA C 79 54.485 54.297 0.188 1
1 946 . 9 1 1 A 79 79 LYS CB C 79 35.963 36.370 -0.407 1
1 950 . 9 1 1 A 79 79 LYS N N 79 117.018 115.712 1.306 1
1 951 . 9 1 1 A 80 80 LEU H H 80 8.782 8.855 -0.073 1
1 952 . 9 1 1 A 80 80 LEU HA H 80 4.459 4.569 -0.110 1
1 962 . 9 1 1 A 80 80 LEU C C 80 173.095 177.498 -4.403 1
1 963 . 9 1 1 A 80 80 LEU CA C 80 52.743 52.344 0.399 1
1 964 . 9 1 1 A 80 80 LEU CB C 80 42.494 44.480 -1.986 1
1 968 . 9 1 1 A 80 80 LEU N N 80 122.496 121.245 1.251 1
1 969 . 9 1 1 A 81 81 LEU H H 81 8.636 8.489 0.147 1
1 970 . 9 1 1 A 81 81 LEU HA H 81 3.578 3.998 -0.420 1
1 980 . 9 1 1 A 81 81 LEU CA C 81 57.316 58.754 -1.438 1
1 981 . 9 1 1 A 81 81 LEU CB C 81 39.032 42.112 -3.080 1
1 985 . 9 1 1 A 81 81 LEU N N 81 125.060 125.348 -0.288 1
1 986 . 9 1 1 A 82 82 HIS H H 82 8.379 7.660 0.719 1
1 987 . 9 1 1 A 82 82 HIS HA H 82 4.551 4.795 -0.244 1
1 992 . 9 1 1 A 82 82 HIS C C 82 172.635 173.762 -1.127 1
1 993 . 9 1 1 A 82 82 HIS CA C 82 55.432 55.122 0.310 1
1 994 . 9 1 1 A 82 82 HIS CB C 82 29.646 31.803 -2.157 1
1 997 . 9 1 1 A 82 82 HIS N N 82 114.387 111.341 3.046 1
1 998 . 9 1 1 A 83 83 LYS H H 83 8.023 7.556 0.467 1
1 999 . 9 1 1 A 83 83 LYS HA H 83 4.670 4.400 0.270 1
1 1008 . 9 1 1 A 83 83 LYS CA C 83 52.041 52.886 -0.845 1
1 1009 . 9 1 1 A 83 83 LYS CB C 83 32.741 33.251 -0.510 1
1 1013 . 9 1 1 A 83 83 LYS N N 83 122.886 120.205 2.681 1
1 1014 . 9 1 1 A 84 84 PRO HA H 84 4.585 4.601 -0.016 1
1 1021 . 9 1 1 A 84 84 PRO C C 84 172.797 176.173 -3.376 1
1 1022 . 9 1 1 A 84 84 PRO CA C 84 62.050 62.306 -0.256 1
1 1023 . 9 1 1 A 84 84 PRO CB C 84 32.770 32.582 0.188 1
1 1026 . 9 1 1 A 85 85 ILE H H 85 6.185 8.193 -2.008 1
1 1027 . 9 1 1 A 85 85 ILE HA H 85 5.743 5.413 0.330 1
1 1037 . 9 1 1 A 85 85 ILE C C 85 174.366 174.135 0.231 1
1 1038 . 9 1 1 A 85 85 ILE CA C 85 57.032 58.464 -1.432 1
1 1039 . 9 1 1 A 85 85 ILE CB C 85 41.265 42.096 -0.831 1
1 1043 . 9 1 1 A 85 85 ILE N N 85 107.777 115.970 -8.193 1
1 1044 . 9 1 1 A 86 86 VAL H H 86 7.552 8.738 -1.186 1
1 1045 . 9 1 1 A 86 86 VAL HA H 86 4.278 4.691 -0.413 1
1 1053 . 9 1 1 A 86 86 VAL CA C 86 59.345 59.096 0.249 1
1 1054 . 9 1 1 A 86 86 VAL CB C 86 34.990 35.726 -0.736 1
1 1057 . 9 1 1 A 86 86 VAL N N 86 109.584 115.499 -5.915 1
1 1058 . 9 1 1 A 87 87 TRP H H 87 10.036 8.694 1.342 1
1 1059 . 9 1 1 A 87 87 TRP HA H 87 6.158 5.273 0.885 1
1 1068 . 9 1 1 A 87 87 TRP C C 87 174.393 176.639 -2.246 1
1 1069 . 9 1 1 A 87 87 TRP CA C 87 55.238 56.885 -1.647 1
1 1070 . 9 1 1 A 87 87 TRP CB C 87 32.786 30.901 1.885 1
1 1076 . 9 1 1 A 87 87 TRP N N 87 122.256 124.984 -2.728 1
1 1078 . 9 1 1 A 88 88 HIS H H 88 8.802 9.225 -0.423 1
1 1079 . 9 1 1 A 88 88 HIS HA H 88 5.383 6.011 -0.628 1
1 1085 . 9 1 1 A 88 88 HIS CA C 88 53.902 53.970 -0.068 1
1 1086 . 9 1 1 A 88 88 HIS CB C 88 37.553 33.132 4.421 1
1 1089 . 9 1 1 A 88 88 HIS N N 88 116.636 118.562 -1.926 1
1 1090 . 9 1 1 A 89 89 ILE H H 89 9.197 8.796 0.401 1
1 1091 . 9 1 1 A 89 89 ILE HA H 89 4.022 4.415 -0.393 1
1 1101 . 9 1 1 A 89 89 ILE C C 89 174.582 176.179 -1.597 1
1 1102 . 9 1 1 A 89 89 ILE CA C 89 61.042 60.268 0.774 1
1 1103 . 9 1 1 A 89 89 ILE CB C 89 40.176 40.249 -0.073 1
1 1107 . 9 1 1 A 89 89 ILE N N 89 118.669 120.413 -1.744 1
1 1108 . 9 1 1 A 90 90 ASN H H 90 9.688 9.058 0.630 1
1 1109 . 9 1 1 A 90 90 ASN HA H 90 4.281 4.355 -0.074 1
1 1114 . 9 1 1 A 90 90 ASN C C 90 171.418 174.049 -2.631 1
1 1115 . 9 1 1 A 90 90 ASN CA C 90 53.724 53.848 -0.124 1
1 1116 . 9 1 1 A 90 90 ASN CB C 90 36.919 36.053 0.866 1
1 1117 . 9 1 1 A 90 90 ASN N N 90 128.710 125.690 3.020 1
1 1119 . 9 1 1 A 91 91 GLN H H 91 10.928 8.279 2.649 1
1 1120 . 9 1 1 A 91 91 GLN HA H 91 2.586 2.812 -0.226 1
1 1127 . 9 1 1 A 91 91 GLN C C 91 170.146 174.126 -3.980 1
1 1128 . 9 1 1 A 91 91 GLN CA C 91 55.444 56.795 -1.351 1
1 1129 . 9 1 1 A 91 91 GLN CB C 91 23.948 26.680 -2.732 1
1 1131 . 9 1 1 A 91 91 GLN N N 91 112.871 111.114 1.757 1
1 1133 . 9 1 1 A 92 92 ALA H H 92 7.692 7.809 -0.117 1
1 1134 . 9 1 1 A 92 92 ALA HA H 92 4.979 4.994 -0.015 1
1 1138 . 9 1 1 A 92 92 ALA C C 92 174.068 175.180 -1.112 1
1 1139 . 9 1 1 A 92 92 ALA CA C 92 49.792 50.749 -0.957 1
1 1140 . 9 1 1 A 92 92 ALA CB C 92 21.832 22.359 -0.527 1
1 1141 . 9 1 1 A 92 92 ALA N N 92 118.287 120.087 -1.800 1
1 1142 . 9 1 1 A 93 93 THR H H 93 9.026 8.989 0.037 1
1 1143 . 9 1 1 A 93 93 THR HA H 93 5.281 5.537 -0.256 1
1 1148 . 9 1 1 A 93 93 THR C C 93 170.768 173.449 -2.681 1
1 1149 . 9 1 1 A 93 93 THR CA C 93 58.597 59.728 -1.131 1
1 1150 . 9 1 1 A 93 93 THR CB C 93 70.855 72.156 -1.301 1
1 1152 . 9 1 1 A 93 93 THR N N 93 114.894 113.214 1.680 1
1 1153 . 9 1 1 A 94 94 THR H H 94 8.292 8.947 -0.655 1
1 1154 . 9 1 1 A 94 94 THR HA H 94 4.903 4.964 -0.061 1
1 1159 . 9 1 1 A 94 94 THR CA C 94 58.800 59.382 -0.582 1
1 1160 . 9 1 1 A 94 94 THR CB C 94 71.488 71.857 -0.369 1
1 1162 . 9 1 1 A 94 94 THR N N 94 119.907 117.065 2.842 1
1 1163 . 9 1 1 A 95 95 LYS HA H 95 4.056 4.185 -0.129 1
1 1172 . 9 1 1 A 95 95 LYS CA C 95 59.376 60.048 -0.672 1
1 1173 . 9 1 1 A 95 95 LYS CB C 95 31.083 32.235 -1.152 1
1 1177 . 9 1 1 A 96 96 THR H H 96 7.773 8.024 -0.251 1
1 1178 . 9 1 1 A 96 96 THR HA H 96 3.798 4.145 -0.347 1
1 1183 . 9 1 1 A 96 96 THR C C 96 171.850 176.664 -4.814 1
1 1184 . 9 1 1 A 96 96 THR CA C 96 64.506 66.463 -1.957 1
1 1185 . 9 1 1 A 96 96 THR CB C 96 68.405 68.521 -0.116 1
1 1187 . 9 1 1 A 96 96 THR N N 96 113.841 117.712 -3.871 1
1 1188 . 9 1 1 A 97 97 THR H H 97 6.795 7.824 -1.029 1
1 1189 . 9 1 1 A 97 97 THR HA H 97 3.604 4.344 -0.740 1
1 1194 . 9 1 1 A 97 97 THR C C 97 171.959 176.535 -4.576 1
1 1195 . 9 1 1 A 97 97 THR CA C 97 61.209 64.027 -2.818 1
1 1196 . 9 1 1 A 97 97 THR CB C 97 67.962 69.166 -1.204 1
1 1198 . 9 1 1 A 97 97 THR N N 97 105.731 112.854 -7.123 1
1 1199 . 9 1 1 A 98 98 PHE H H 98 7.410 8.083 -0.673 1
1 1200 . 9 1 1 A 98 98 PHE HA H 98 4.220 4.173 0.047 1
1 1207 . 9 1 1 A 98 98 PHE C C 98 174.528 177.803 -3.275 1
1 1208 . 9 1 1 A 98 98 PHE CA C 98 61.879 61.494 0.385 1
1 1209 . 9 1 1 A 98 98 PHE CB C 98 38.875 39.219 -0.344 1
1 1214 . 9 1 1 A 98 98 PHE N N 98 126.402 123.905 2.497 1
1 1215 . 9 1 1 A 99 99 LYS H H 99 9.459 7.668 1.791 1
1 1216 . 9 1 1 A 99 99 LYS HA H 99 4.089 3.312 0.777 1
1 1225 . 9 1 1 A 99 99 LYS CA C 99 60.763 61.164 -0.401 1
1 1226 . 9 1 1 A 99 99 LYS CB C 99 28.635 30.942 -2.307 1
1 1230 . 9 1 1 A 99 99 LYS N N 99 121.490 118.131 3.359 1
1 1231 . 9 1 1 A 100 100 PRO HA H 100 4.922 4.589 0.333 1
1 1238 . 9 1 1 A 100 100 PRO C C 100 177.314 179.130 -1.816 1
1 1239 . 9 1 1 A 100 100 PRO CA C 100 66.173 65.614 0.559 1
1 1240 . 9 1 1 A 100 100 PRO CB C 100 31.535 30.368 1.167 1
1 1243 . 9 1 1 A 101 101 ASN H H 101 8.530 8.409 0.121 1
1 1244 . 9 1 1 A 101 101 ASN HA H 101 5.244 4.504 0.740 1
1 1249 . 9 1 1 A 101 101 ASN C C 101 175.204 177.847 -2.643 1
1 1250 . 9 1 1 A 101 101 ASN CA C 101 54.555 56.248 -1.693 1
1 1251 . 9 1 1 A 101 101 ASN CB C 101 36.187 38.442 -2.255 1
1 1252 . 9 1 1 A 101 101 ASN N N 101 115.238 115.903 -0.665 1
1 1254 . 9 1 1 A 102 102 THR H H 102 8.488 7.653 0.835 1
1 1255 . 9 1 1 A 102 102 THR HA H 102 4.184 4.041 0.143 1
1 1260 . 9 1 1 A 102 102 THR C C 102 171.472 176.447 -4.975 1
1 1261 . 9 1 1 A 102 102 THR CA C 102 67.543 64.936 2.607 1
1 1262 . 9 1 1 A 102 102 THR CB C 102 67.001 68.429 -1.428 1
1 1264 . 9 1 1 A 102 102 THR N N 102 120.254 113.067 7.187 1
1 1265 . 9 1 1 A 103 103 TRP H H 103 7.283 7.423 -0.140 1
1 1266 . 9 1 1 A 103 103 TRP HA H 103 3.986 4.385 -0.399 1
1 1275 . 9 1 1 A 103 103 TRP C C 103 175.800 177.505 -1.705 1
1 1276 . 9 1 1 A 103 103 TRP CA C 103 60.856 60.539 0.317 1
1 1277 . 9 1 1 A 103 103 TRP CB C 103 27.948 28.599 -0.651 1
1 1283 . 9 1 1 A 103 103 TRP N N 103 121.763 121.357 0.406 1
1 1285 . 9 1 1 A 104 104 CYS H H 104 8.233 8.230 0.003 1
1 1286 . 9 1 1 A 104 104 CYS HA H 104 4.272 4.465 -0.193 1
1 1289 . 9 1 1 A 104 104 CYS C C 104 176.259 176.127 0.132 1
1 1290 . 9 1 1 A 104 104 CYS CA C 104 65.226 60.170 5.056 1
1 1291 . 9 1 1 A 104 104 CYS CB C 104 26.949 28.294 -1.345 1
1 1292 . 9 1 1 A 104 104 CYS N N 104 118.046 118.482 -0.436 1
1 1293 . 9 1 1 A 105 105 LEU H H 105 8.726 7.692 1.034 1
1 1294 . 9 1 1 A 105 105 LEU HA H 105 4.000 4.117 -0.117 1
1 1304 . 9 1 1 A 105 105 LEU C C 105 176.205 179.274 -3.069 1
1 1305 . 9 1 1 A 105 105 LEU CA C 105 57.810 57.337 0.473 1
1 1306 . 9 1 1 A 105 105 LEU CB C 105 40.484 41.701 -1.217 1
1 1310 . 9 1 1 A 105 105 LEU N N 105 120.557 122.429 -1.872 1
1 1311 . 9 1 1 A 106 106 ARG H H 106 6.990 8.073 -1.083 1
1 1312 . 9 1 1 A 106 106 ARG HA H 106 2.054 2.637 -0.583 1
1 1319 . 9 1 1 A 106 106 ARG C C 106 177.179 177.146 0.033 1
1 1320 . 9 1 1 A 106 106 ARG CA C 106 57.405 57.819 -0.414 1
1 1321 . 9 1 1 A 106 106 ARG CB C 106 29.269 29.395 -0.126 1
1 1324 . 9 1 1 A 106 106 ARG N N 106 118.050 117.993 0.057 1
1 1325 . 9 1 1 A 107 107 CYS H H 107 7.623 7.617 0.006 1
1 1326 . 9 1 1 A 107 107 CYS HA H 107 4.031 4.402 -0.371 1
1 1329 . 9 1 1 A 107 107 CYS C C 107 172.337 175.501 -3.164 1
1 1330 . 9 1 1 A 107 107 CYS CA C 107 63.291 60.363 2.928 1
1 1331 . 9 1 1 A 107 107 CYS CB C 107 26.214 27.499 -1.285 1
1 1332 . 9 1 1 A 107 107 CYS N N 107 117.028 118.283 -1.255 1
1 1333 . 9 1 1 A 108 108 LEU H H 108 7.484 7.859 -0.375 1
1 1334 . 9 1 1 A 108 108 LEU HA H 108 4.159 4.314 -0.155 1
1 1344 . 9 1 1 A 108 108 LEU C C 108 174.582 177.352 -2.770 1
1 1345 . 9 1 1 A 108 108 LEU CA C 108 54.203 54.694 -0.491 1
1 1346 . 9 1 1 A 108 108 LEU CB C 108 41.621 42.447 -0.826 1
1 1350 . 9 1 1 A 108 108 LEU N N 108 117.680 118.084 -0.404 1
1 1351 . 9 1 1 A 109 109 TRP H H 109 7.427 7.597 -0.170 1
1 1352 . 9 1 1 A 109 109 TRP HA H 109 4.828 5.016 -0.188 1
1 1361 . 9 1 1 A 109 109 TRP C C 109 173.176 176.309 -3.133 1
1 1362 . 9 1 1 A 109 109 TRP CA C 109 56.353 58.269 -1.916 1
1 1363 . 9 1 1 A 109 109 TRP CB C 109 29.743 30.524 -0.781 1
1 1369 . 9 1 1 A 109 109 TRP N N 109 119.087 121.336 -2.249 1
1 1371 . 9 1 1 A 110 110 SER H H 110 8.199 8.719 -0.520 1
1 1372 . 9 1 1 A 110 110 SER HA H 110 4.688 4.951 -0.263 1
1 1375 . 9 1 1 A 110 110 SER C C 110 171.769 174.018 -2.249 1
1 1376 . 9 1 1 A 110 110 SER CA C 110 56.324 57.194 -0.870 1
1 1377 . 9 1 1 A 110 110 SER CB C 110 64.513 63.556 0.957 1
1 1378 . 9 1 1 A 110 110 SER N N 110 115.602 118.799 -3.197 1
1 1379 . 9 1 1 A 111 111 THR H H 111 8.268 8.269 -0.001 1
1 1380 . 9 1 1 A 111 111 THR HA H 111 4.425 4.369 0.056 1
1 1385 . 9 1 1 A 111 111 THR C C 111 171.526 172.433 -0.907 1
1 1386 . 9 1 1 A 111 111 THR CA C 111 60.861 62.450 -1.589 1
1 1387 . 9 1 1 A 111 111 THR CB C 111 69.202 68.803 0.399 1
1 1389 . 9 1 1 A 111 111 THR N N 111 114.394 113.311 1.083 1
1 1390 . 9 1 1 A 112 112 LYS H H 112 8.240 8.708 -0.468 1
1 1391 . 9 1 1 A 112 112 LYS HA H 112 4.530 4.910 -0.380 1
1 1400 . 9 1 1 A 112 112 LYS CA C 112 53.768 52.825 0.943 1
1 1401 . 9 1 1 A 112 112 LYS CB C 112 32.067 34.708 -2.641 1
1 1405 . 9 1 1 A 112 112 LYS N N 112 125.207 121.409 3.798 1
1 1406 . 9 1 1 A 113 113 PRO HA H 113 4.380 4.614 -0.234 1
1 1413 . 9 1 1 A 113 113 PRO C C 113 174.095 177.550 -3.455 1
1 1414 . 9 1 1 A 113 113 PRO CA C 113 62.381 62.523 -0.142 1
1 1415 . 9 1 1 A 113 113 PRO CB C 113 31.408 32.714 -1.306 1
1 1418 . 9 1 1 A 114 114 VAL H H 114 8.195 8.825 -0.630 1
1 1419 . 9 1 1 A 114 114 VAL HA H 114 4.029 3.744 0.285 1
1 1427 . 9 1 1 A 114 114 VAL C C 114 173.122 175.130 -2.008 1
1 1428 . 9 1 1 A 114 114 VAL CA C 114 61.335 63.553 -2.218 1
1 1429 . 9 1 1 A 114 114 VAL CB C 114 32.153 30.661 1.492 1
1 1432 . 9 1 1 A 114 114 VAL N N 114 120.113 121.061 -0.948 1
1 1433 . 9 1 1 A 115 115 ASP H H 115 8.345 7.995 0.350 1
1 1434 . 9 1 1 A 115 115 ASP HA H 115 4.592 4.857 -0.265 1
1 1437 . 9 1 1 A 115 115 ASP C C 115 172.608 174.725 -2.117 1
1 1438 . 9 1 1 A 115 115 ASP CA C 115 53.202 53.135 0.067 1
1 1439 . 9 1 1 A 115 115 ASP CB C 115 40.552 41.492 -0.940 1
1 1440 . 9 1 1 A 115 115 ASP N N 115 123.853 121.491 2.362 1
1 1 . 10 1 1 A 2 2 TYR HA H 2 4.617 5.070 -0.453 1
1 7 . 10 1 1 A 2 2 TYR C C 2 172.716 174.866 -2.150 1
1 8 . 10 1 1 A 2 2 TYR CA C 2 56.943 56.423 0.520 1
1 9 . 10 1 1 A 2 2 TYR CB C 2 38.050 40.739 -2.689 1
1 14 . 10 1 1 A 2 2 TYR N N 2 121.461 121.102 0.359 1
1 15 . 10 1 1 A 3 3 THR H H 3 7.984 8.321 -0.337 1
1 16 . 10 1 1 A 3 3 THR HA H 3 4.684 4.569 0.115 1
1 21 . 10 1 1 A 3 3 THR C C 3 170.931 174.663 -3.732 1
1 22 . 10 1 1 A 3 3 THR CA C 3 60.870 62.037 -1.167 1
1 23 . 10 1 1 A 3 3 THR CB C 3 69.270 69.349 -0.079 1
1 25 . 10 1 1 A 3 3 THR N N 3 117.624 112.098 5.526 1
1 26 . 10 1 1 A 4 4 GLU H H 4 8.290 7.587 0.703 1
1 27 . 10 1 1 A 4 4 GLU HA H 4 4.183 4.165 0.018 1
1 32 . 10 1 1 A 4 4 GLU C C 4 173.013 176.641 -3.628 1
1 33 . 10 1 1 A 4 4 GLU CA C 4 55.876 56.666 -0.790 1
1 34 . 10 1 1 A 4 4 GLU CB C 4 29.779 29.478 0.301 1
1 36 . 10 1 1 A 4 4 GLU N N 4 123.377 122.442 0.935 1
1 37 . 10 1 1 A 5 5 GLN H H 5 8.329 8.491 -0.162 1
1 38 . 10 1 1 A 5 5 GLN HA H 5 4.392 4.622 -0.230 1
1 43 . 10 1 1 A 5 5 GLN CA C 5 52.634 54.252 -1.618 1
1 44 . 10 1 1 A 5 5 GLN CB C 5 28.759 27.751 1.008 1
1 46 . 10 1 1 A 5 5 GLN N N 5 122.599 121.575 1.024 1
1 47 . 10 1 1 A 6 6 PRO HA H 6 4.323 5.062 -0.739 1
1 54 . 10 1 1 A 6 6 PRO C C 6 173.636 176.378 -2.742 1
1 55 . 10 1 1 A 6 6 PRO CA C 6 62.080 62.633 -0.553 1
1 56 . 10 1 1 A 6 6 PRO CB C 6 30.785 32.604 -1.819 1
1 59 . 10 1 1 A 7 7 ILE H H 7 8.160 8.540 -0.380 1
1 60 . 10 1 1 A 7 7 ILE HA H 7 3.871 4.123 -0.252 1
1 70 . 10 1 1 A 7 7 ILE C C 7 172.770 176.078 -3.308 1
1 71 . 10 1 1 A 7 7 ILE CA C 7 60.589 60.561 0.028 1
1 72 . 10 1 1 A 7 7 ILE CB C 7 38.318 35.877 2.441 1
1 76 . 10 1 1 A 7 7 ILE N N 7 121.913 121.615 0.298 1
1 77 . 10 1 1 A 8 8 ASP H H 8 8.126 8.391 -0.265 1
1 78 . 10 1 1 A 8 8 ASP HA H 8 4.584 4.254 0.330 1
1 81 . 10 1 1 A 8 8 ASP C C 8 171.742 175.639 -3.897 1
1 82 . 10 1 1 A 8 8 ASP CA C 8 53.265 55.167 -1.902 1
1 83 . 10 1 1 A 8 8 ASP CB C 8 39.521 39.672 -0.151 1
1 84 . 10 1 1 A 8 8 ASP N N 8 124.858 122.901 1.957 1
1 85 . 10 1 1 A 9 9 LEU H H 9 7.374 7.818 -0.444 1
1 86 . 10 1 1 A 9 9 LEU HA H 9 4.506 4.645 -0.139 1
1 96 . 10 1 1 A 9 9 LEU C C 9 174.041 175.907 -1.866 1
1 97 . 10 1 1 A 9 9 LEU CA C 9 53.779 54.238 -0.459 1
1 98 . 10 1 1 A 9 9 LEU CB C 9 43.411 43.545 -0.134 1
1 102 . 10 1 1 A 9 9 LEU N N 9 122.151 119.587 2.564 1
1 103 . 10 1 1 A 10 10 VAL H H 10 8.827 8.569 0.258 1
1 104 . 10 1 1 A 10 10 VAL HA H 10 4.841 5.023 -0.182 1
1 112 . 10 1 1 A 10 10 VAL CA C 10 57.706 58.559 -0.853 1
1 113 . 10 1 1 A 10 10 VAL CB C 10 33.895 35.052 -1.157 1
1 116 . 10 1 1 A 10 10 VAL N N 10 120.738 119.320 1.418 1
1 117 . 10 1 1 A 11 11 PRO HA H 11 4.766 5.077 -0.311 1
1 124 . 10 1 1 A 11 11 PRO C C 11 173.149 175.424 -2.275 1
1 125 . 10 1 1 A 11 11 PRO CA C 11 62.417 63.129 -0.712 1
1 126 . 10 1 1 A 11 11 PRO CB C 11 32.119 32.249 -0.130 1
1 129 . 10 1 1 A 12 12 THR H H 12 7.408 8.349 -0.941 1
1 130 . 10 1 1 A 12 12 THR HA H 12 4.280 4.896 -0.616 1
1 135 . 10 1 1 A 12 12 THR C C 12 166.981 172.576 -5.595 1
1 136 . 10 1 1 A 12 12 THR CA C 12 59.142 59.555 -0.413 1
1 137 . 10 1 1 A 12 12 THR CB C 12 68.812 70.614 -1.802 1
1 139 . 10 1 1 A 12 12 THR N N 12 115.177 117.037 -1.860 1
1 140 . 10 1 1 A 13 13 GLN H H 13 7.953 8.844 -0.891 1
1 141 . 10 1 1 A 13 13 GLN HA H 13 5.073 4.940 0.133 1
1 146 . 10 1 1 A 13 13 GLN CA C 13 52.836 53.453 -0.617 1
1 147 . 10 1 1 A 13 13 GLN CB C 13 28.566 32.020 -3.454 1
1 149 . 10 1 1 A 13 13 GLN N N 13 113.324 119.094 -5.770 1
1 150 . 10 1 1 A 14 14 PRO HA H 14 4.340 4.463 -0.123 1
1 157 . 10 1 1 A 14 14 PRO C C 14 173.392 177.112 -3.720 1
1 158 . 10 1 1 A 14 14 PRO CA C 14 62.498 62.902 -0.404 1
1 159 . 10 1 1 A 14 14 PRO CB C 14 31.565 31.971 -0.406 1
1 162 . 10 1 1 A 15 15 LEU H H 15 8.764 8.347 0.417 1
1 163 . 10 1 1 A 15 15 LEU HA H 15 4.511 4.668 -0.157 1
1 173 . 10 1 1 A 15 15 LEU CA C 15 52.597 53.296 -0.699 1
1 174 . 10 1 1 A 15 15 LEU CB C 15 40.769 42.075 -1.306 1
1 178 . 10 1 1 A 15 15 LEU N N 15 124.665 119.196 5.469 1
1 179 . 10 1 1 A 16 16 PRO HA H 16 4.325 4.463 -0.138 1
1 186 . 10 1 1 A 16 16 PRO CA C 16 63.358 63.015 0.343 1
1 187 . 10 1 1 A 16 16 PRO CB C 16 31.187 32.643 -1.456 1
1 190 . 10 1 1 A 17 17 ASN H H 17 8.682 9.040 -0.358 1
1 191 . 10 1 1 A 17 17 ASN HA H 17 4.586 4.370 0.216 1
1 196 . 10 1 1 A 17 17 ASN C C 17 174.691 174.517 0.174 1
1 197 . 10 1 1 A 17 17 ASN CA C 17 52.745 55.135 -2.390 1
1 198 . 10 1 1 A 17 17 ASN CB C 17 36.762 36.522 0.240 1
1 199 . 10 1 1 A 17 17 ASN N N 17 114.315 113.775 0.540 1
1 201 . 10 1 1 A 18 18 ALA H H 18 7.283 8.097 -0.814 1
1 202 . 10 1 1 A 18 18 ALA HA H 18 4.569 4.667 -0.098 1
1 206 . 10 1 1 A 18 18 ALA C C 18 174.041 176.978 -2.937 1
1 207 . 10 1 1 A 18 18 ALA CA C 18 51.618 52.921 -1.303 1
1 208 . 10 1 1 A 18 18 ALA CB C 18 20.698 19.979 0.719 1
1 209 . 10 1 1 A 18 18 ALA N N 18 121.620 123.522 -1.902 1
1 210 . 10 1 1 A 19 19 SER H H 19 8.744 9.263 -0.519 1
1 211 . 10 1 1 A 19 19 SER HA H 19 4.479 4.498 -0.019 1
1 214 . 10 1 1 A 19 19 SER C C 19 169.984 172.218 -2.234 1
1 215 . 10 1 1 A 19 19 SER CA C 19 56.634 57.373 -0.739 1
1 216 . 10 1 1 A 19 19 SER CB C 19 65.044 66.897 -1.853 1
1 217 . 10 1 1 A 19 19 SER N N 19 113.995 116.744 -2.749 1
1 218 . 10 1 1 A 20 20 PHE H H 20 7.753 8.160 -0.407 1
1 219 . 10 1 1 A 20 20 PHE HA H 20 3.514 4.429 -0.915 1
1 226 . 10 1 1 A 20 20 PHE C C 20 172.635 174.379 -1.744 1
1 227 . 10 1 1 A 20 20 PHE CA C 20 58.070 58.452 -0.382 1
1 228 . 10 1 1 A 20 20 PHE CB C 20 37.588 39.326 -1.738 1
1 233 . 10 1 1 A 20 20 PHE N N 20 124.690 124.969 -0.279 1
1 234 . 10 1 1 A 21 21 ASP H H 21 8.288 6.509 1.779 1
1 235 . 10 1 1 A 21 21 ASP HA H 21 4.351 4.651 -0.300 1
1 238 . 10 1 1 A 21 21 ASP CA C 21 51.826 52.238 -0.412 1
1 239 . 10 1 1 A 21 21 ASP CB C 21 38.598 44.480 -5.882 1
1 240 . 10 1 1 A 21 21 ASP N N 21 127.080 124.151 2.929 1
1 241 . 10 1 1 A 22 22 ASN HA H 22 3.766 4.713 -0.947 1
1 246 . 10 1 1 A 22 22 ASN C C 22 171.688 174.958 -3.270 1
1 247 . 10 1 1 A 22 22 ASN CA C 22 54.954 53.769 1.185 1
1 248 . 10 1 1 A 22 22 ASN CB C 22 37.641 37.939 -0.298 1
1 250 . 10 1 1 A 23 23 PHE H H 23 5.484 7.220 -1.736 1
1 251 . 10 1 1 A 23 23 PHE HA H 23 4.804 4.502 0.302 1
1 259 . 10 1 1 A 23 23 PHE C C 23 169.768 174.840 -5.072 1
1 260 . 10 1 1 A 23 23 PHE CA C 23 54.649 56.928 -2.279 1
1 261 . 10 1 1 A 23 23 PHE CB C 23 39.850 39.831 0.019 1
1 267 . 10 1 1 A 23 23 PHE N N 23 112.858 117.054 -4.196 1
1 268 . 10 1 1 A 24 24 LYS H H 24 8.329 9.140 -0.811 1
1 269 . 10 1 1 A 24 24 LYS HA H 24 3.719 4.396 -0.677 1
1 278 . 10 1 1 A 24 24 LYS C C 24 171.959 175.782 -3.823 1
1 279 . 10 1 1 A 24 24 LYS CA C 24 53.756 54.891 -1.135 1
1 280 . 10 1 1 A 24 24 LYS CB C 24 36.279 33.709 2.570 1
1 284 . 10 1 1 A 24 24 LYS N N 24 119.724 123.221 -3.497 1
1 285 . 10 1 1 A 25 25 LEU H H 25 9.144 8.385 0.759 1
1 286 . 10 1 1 A 25 25 LEU HA H 25 5.462 5.525 -0.063 1
1 296 . 10 1 1 A 25 25 LEU C C 25 174.609 175.685 -1.076 1
1 297 . 10 1 1 A 25 25 LEU CA C 25 53.208 52.711 0.497 1
1 298 . 10 1 1 A 25 25 LEU CB C 25 41.419 46.064 -4.645 1
1 302 . 10 1 1 A 25 25 LEU N N 25 126.849 120.715 6.134 1
1 303 . 10 1 1 A 26 26 THR H H 26 8.956 8.776 0.180 1
1 304 . 10 1 1 A 26 26 THR HA H 26 4.471 5.233 -0.762 1
1 309 . 10 1 1 A 26 26 THR C C 26 169.524 172.889 -3.365 1
1 310 . 10 1 1 A 26 26 THR CA C 26 58.769 59.789 -1.020 1
1 311 . 10 1 1 A 26 26 THR CB C 26 69.971 72.762 -2.791 1
1 313 . 10 1 1 A 26 26 THR N N 26 113.907 110.721 3.186 1
1 314 . 10 1 1 A 27 27 CYS H H 27 8.507 8.598 -0.091 1
1 315 . 10 1 1 A 27 27 CYS HA H 27 4.509 4.771 -0.262 1
1 318 . 10 1 1 A 27 27 CYS C C 27 169.984 173.616 -3.632 1
1 319 . 10 1 1 A 27 27 CYS CA C 27 57.948 57.620 0.328 1
1 320 . 10 1 1 A 27 27 CYS CB C 27 29.529 30.928 -1.399 1
1 321 . 10 1 1 A 27 27 CYS N N 27 120.842 119.242 1.600 1
1 322 . 10 1 1 A 28 28 SER H H 28 9.044 8.633 0.411 1
1 323 . 10 1 1 A 28 28 SER HA H 28 4.140 4.234 -0.094 1
1 326 . 10 1 1 A 28 28 SER C C 28 172.716 175.547 -2.831 1
1 327 . 10 1 1 A 28 28 SER CA C 28 60.986 62.126 -1.140 1
1 328 . 10 1 1 A 28 28 SER CB C 28 61.437 62.923 -1.486 1
1 329 . 10 1 1 A 28 28 SER N N 28 124.898 118.448 6.450 1
1 330 . 10 1 1 A 29 29 ASN H H 29 7.825 7.619 0.206 1
1 331 . 10 1 1 A 29 29 ASN HA H 29 4.951 4.844 0.107 1
1 336 . 10 1 1 A 29 29 ASN C C 29 171.688 175.894 -4.206 1
1 337 . 10 1 1 A 29 29 ASN CA C 29 52.155 52.716 -0.561 1
1 338 . 10 1 1 A 29 29 ASN CB C 29 36.980 39.244 -2.264 1
1 339 . 10 1 1 A 29 29 ASN N N 29 121.001 117.970 3.031 1
1 341 . 10 1 1 A 30 30 THR H H 30 8.062 8.739 -0.677 1
1 342 . 10 1 1 A 30 30 THR HA H 30 3.901 4.055 -0.154 1
1 347 . 10 1 1 A 30 30 THR C C 30 173.338 176.731 -3.393 1
1 348 . 10 1 1 A 30 30 THR CA C 30 64.874 66.032 -1.158 1
1 349 . 10 1 1 A 30 30 THR CB C 30 67.715 68.603 -0.888 1
1 351 . 10 1 1 A 30 30 THR N N 30 119.799 118.991 0.808 1
1 352 . 10 1 1 A 31 31 LYS H H 31 8.015 8.158 -0.143 1
1 353 . 10 1 1 A 31 31 LYS HA H 31 4.119 3.923 0.196 1
1 362 . 10 1 1 A 31 31 LYS C C 31 174.231 178.507 -4.276 1
1 363 . 10 1 1 A 31 31 LYS CA C 31 58.286 59.293 -1.007 1
1 364 . 10 1 1 A 31 31 LYS CB C 31 31.547 32.206 -0.659 1
1 368 . 10 1 1 A 31 31 LYS N N 31 122.845 122.373 0.472 1
1 369 . 10 1 1 A 32 32 PHE H H 32 7.739 8.461 -0.722 1
1 370 . 10 1 1 A 32 32 PHE HA H 32 4.652 4.228 0.424 1
1 378 . 10 1 1 A 32 32 PHE C C 32 174.691 176.793 -2.102 1
1 379 . 10 1 1 A 32 32 PHE CA C 32 59.954 61.923 -1.969 1
1 380 . 10 1 1 A 32 32 PHE CB C 32 38.444 39.360 -0.916 1
1 386 . 10 1 1 A 32 32 PHE N N 32 120.100 120.686 -0.586 1
1 387 . 10 1 1 A 33 33 ALA H H 33 6.955 8.170 -1.215 1
1 388 . 10 1 1 A 33 33 ALA HA H 33 3.555 3.963 -0.408 1
1 392 . 10 1 1 A 33 33 ALA C C 33 175.502 179.805 -4.303 1
1 393 . 10 1 1 A 33 33 ALA CA C 33 54.703 55.148 -0.445 1
1 394 . 10 1 1 A 33 33 ALA CB C 33 17.085 18.303 -1.218 1
1 395 . 10 1 1 A 33 33 ALA N N 33 116.140 121.027 -4.887 1
1 396 . 10 1 1 A 34 34 ASP H H 34 8.795 8.356 0.439 1
1 397 . 10 1 1 A 34 34 ASP HA H 34 4.367 4.394 -0.027 1
1 400 . 10 1 1 A 34 34 ASP C C 34 176.854 178.179 -1.325 1
1 401 . 10 1 1 A 34 34 ASP CA C 34 56.911 56.535 0.376 1
1 402 . 10 1 1 A 34 34 ASP CB C 34 39.495 40.661 -1.166 1
1 403 . 10 1 1 A 34 34 ASP N N 34 118.170 118.358 -0.188 1
1 404 . 10 1 1 A 35 35 ASP H H 35 8.791 8.319 0.472 1
1 405 . 10 1 1 A 35 35 ASP HA H 35 4.360 4.425 -0.065 1
1 408 . 10 1 1 A 35 35 ASP C C 35 177.233 178.812 -1.579 1
1 409 . 10 1 1 A 35 35 ASP CA C 35 56.890 57.222 -0.332 1
1 410 . 10 1 1 A 35 35 ASP CB C 35 39.291 41.063 -1.772 1
1 411 . 10 1 1 A 35 35 ASP N N 35 121.921 119.898 2.023 1
1 412 . 10 1 1 A 36 36 LEU H H 36 7.792 8.036 -0.244 1
1 413 . 10 1 1 A 36 36 LEU HA H 36 4.162 4.036 0.126 1
1 423 . 10 1 1 A 36 36 LEU C C 36 176.097 179.222 -3.125 1
1 424 . 10 1 1 A 36 36 LEU CA C 36 57.508 58.053 -0.545 1
1 425 . 10 1 1 A 36 36 LEU CB C 36 41.523 41.441 0.082 1
1 429 . 10 1 1 A 36 36 LEU N N 36 121.822 119.625 2.197 1
1 430 . 10 1 1 A 37 37 ASN H H 37 9.015 8.891 0.124 1
1 431 . 10 1 1 A 37 37 ASN HA H 37 4.733 4.451 0.282 1
1 436 . 10 1 1 A 37 37 ASN C C 37 176.232 178.447 -2.215 1
1 437 . 10 1 1 A 37 37 ASN CA C 37 54.288 56.589 -2.301 1
1 438 . 10 1 1 A 37 37 ASN CB C 37 37.337 38.033 -0.696 1
1 439 . 10 1 1 A 37 37 ASN N N 37 116.904 117.826 -0.922 1
1 441 . 10 1 1 A 38 38 GLN H H 38 8.218 8.260 -0.042 1
1 442 . 10 1 1 A 38 38 GLN HA H 38 4.074 4.067 0.007 1
1 447 . 10 1 1 A 38 38 GLN C C 38 175.773 179.090 -3.317 1
1 448 . 10 1 1 A 38 38 GLN CA C 38 58.134 59.363 -1.229 1
1 449 . 10 1 1 A 38 38 GLN CB C 38 27.676 28.618 -0.942 1
1 451 . 10 1 1 A 38 38 GLN N N 38 121.443 119.194 2.249 1
1 452 . 10 1 1 A 39 39 MET H H 39 7.487 7.809 -0.322 1
1 453 . 10 1 1 A 39 39 MET HA H 39 3.967 4.271 -0.304 1
1 461 . 10 1 1 A 39 39 MET C C 39 176.259 177.742 -1.483 1
1 462 . 10 1 1 A 39 39 MET CA C 39 58.374 58.260 0.114 1
1 463 . 10 1 1 A 39 39 MET CB C 39 33.000 33.094 -0.094 1
1 466 . 10 1 1 A 39 39 MET N N 39 118.793 119.314 -0.521 1
1 467 . 10 1 1 A 40 40 THR H H 40 7.873 7.252 0.621 1
1 468 . 10 1 1 A 40 40 THR HA H 40 3.769 4.270 -0.501 1
1 473 . 10 1 1 A 40 40 THR C C 40 173.906 174.484 -0.578 1
1 474 . 10 1 1 A 40 40 THR CA C 40 61.739 62.373 -0.634 1
1 475 . 10 1 1 A 40 40 THR CB C 40 68.427 69.136 -0.709 1
1 477 . 10 1 1 A 40 40 THR N N 40 108.945 111.763 -2.818 1
1 478 . 10 1 1 A 41 41 GLY H H 41 7.199 7.657 -0.458 1
1 479 . 10 1 1 A 41 41 GLY HA2 H 41 3.899 3.823 0.076 1
1 480 . 10 1 1 A 41 41 GLY HA3 H 41 3.662 3.857 -0.195 1
1 481 . 10 1 1 A 41 41 GLY C C 41 171.661 174.697 -3.036 1
1 482 . 10 1 1 A 41 41 GLY CA C 41 44.926 45.836 -0.910 1
1 483 . 10 1 1 A 41 41 GLY N N 41 106.430 110.406 -3.976 1
1 484 . 10 1 1 A 42 42 PHE H H 42 7.876 8.286 -0.410 1
1 485 . 10 1 1 A 42 42 PHE HA H 42 4.682 4.739 -0.057 1
1 493 . 10 1 1 A 42 42 PHE C C 42 171.499 174.974 -3.475 1
1 494 . 10 1 1 A 42 42 PHE CA C 42 57.793 59.130 -1.337 1
1 495 . 10 1 1 A 42 42 PHE CB C 42 39.422 39.812 -0.390 1
1 501 . 10 1 1 A 42 42 PHE N N 42 122.221 121.318 0.903 1
1 502 . 10 1 1 A 43 43 THR H H 43 8.418 8.291 0.127 1
1 503 . 10 1 1 A 43 43 THR HA H 43 3.665 4.088 -0.423 1
1 508 . 10 1 1 A 43 43 THR C C 43 168.767 171.971 -3.204 1
1 509 . 10 1 1 A 43 43 THR CA C 43 59.002 58.882 0.120 1
1 510 . 10 1 1 A 43 43 THR CB C 43 70.919 71.966 -1.047 1
1 512 . 10 1 1 A 43 43 THR N N 43 123.470 119.490 3.980 1
1 513 . 10 1 1 A 44 44 LYS H H 44 7.999 8.064 -0.065 1
1 514 . 10 1 1 A 44 44 LYS HA H 44 3.924 4.695 -0.771 1
1 523 . 10 1 1 A 44 44 LYS CA C 44 54.785 54.403 0.382 1
1 524 . 10 1 1 A 44 44 LYS CB C 44 31.047 31.375 -0.328 1
1 528 . 10 1 1 A 44 44 LYS N N 44 124.728 124.472 0.256 1
1 529 . 10 1 1 A 45 45 PRO HA H 45 4.581 4.622 -0.041 1
1 536 . 10 1 1 A 45 45 PRO C C 45 172.770 176.883 -4.113 1
1 537 . 10 1 1 A 45 45 PRO CA C 45 60.970 62.524 -1.554 1
1 538 . 10 1 1 A 45 45 PRO CB C 45 33.754 32.163 1.591 1
1 541 . 10 1 1 A 46 46 ALA H H 46 8.715 8.565 0.150 1
1 542 . 10 1 1 A 46 46 ALA HA H 46 4.674 4.833 -0.159 1
1 546 . 10 1 1 A 46 46 ALA C C 46 175.827 178.543 -2.716 1
1 547 . 10 1 1 A 46 46 ALA CA C 46 50.851 52.577 -1.726 1
1 548 . 10 1 1 A 46 46 ALA CB C 46 20.458 19.421 1.037 1
1 549 . 10 1 1 A 46 46 ALA N N 46 123.249 125.079 -1.830 1
1 550 . 10 1 1 A 47 47 SER H H 47 8.518 8.581 -0.063 1
1 551 . 10 1 1 A 47 47 SER HA H 47 4.202 4.430 -0.228 1
1 554 . 10 1 1 A 47 47 SER C C 47 171.769 174.729 -2.960 1
1 555 . 10 1 1 A 47 47 SER CA C 47 58.740 60.861 -2.121 1
1 556 . 10 1 1 A 47 47 SER CB C 47 62.419 63.872 -1.453 1
1 557 . 10 1 1 A 47 47 SER N N 47 117.696 118.158 -0.462 1
1 558 . 10 1 1 A 48 48 ARG H H 48 7.276 7.779 -0.503 1
1 559 . 10 1 1 A 48 48 ARG HA H 48 4.466 4.872 -0.406 1
1 566 . 10 1 1 A 48 48 ARG C C 48 170.417 173.764 -3.347 1
1 567 . 10 1 1 A 48 48 ARG CA C 48 54.164 54.294 -0.130 1
1 568 . 10 1 1 A 48 48 ARG CB C 48 29.775 33.556 -3.781 1
1 571 . 10 1 1 A 48 48 ARG N N 48 115.830 116.182 -0.352 1
1 572 . 10 1 1 A 49 49 GLU H H 49 8.681 8.662 0.019 1
1 573 . 10 1 1 A 49 49 GLU HA H 49 5.373 5.157 0.216 1
1 578 . 10 1 1 A 49 49 GLU C C 49 172.716 175.855 -3.139 1
1 579 . 10 1 1 A 49 49 GLU CA C 49 53.744 55.032 -1.288 1
1 580 . 10 1 1 A 49 49 GLU CB C 49 32.057 31.239 0.818 1
1 582 . 10 1 1 A 49 49 GLU N N 49 119.800 119.309 0.491 1
1 583 . 10 1 1 A 50 50 LEU H H 50 8.720 8.992 -0.272 1
1 584 . 10 1 1 A 50 50 LEU HA H 50 4.821 4.280 0.541 1
1 594 . 10 1 1 A 50 50 LEU C C 50 171.932 176.020 -4.088 1
1 595 . 10 1 1 A 50 50 LEU CA C 50 52.447 55.066 -2.619 1
1 596 . 10 1 1 A 50 50 LEU CB C 50 44.748 42.500 2.248 1
1 600 . 10 1 1 A 50 50 LEU N N 50 124.747 126.478 -1.731 1
1 601 . 10 1 1 A 51 51 SER H H 51 9.560 8.552 1.008 1
1 602 . 10 1 1 A 51 51 SER HA H 51 4.881 5.291 -0.410 1
1 605 . 10 1 1 A 51 51 SER C C 51 171.769 172.740 -0.971 1
1 606 . 10 1 1 A 51 51 SER CA C 51 55.707 56.420 -0.713 1
1 607 . 10 1 1 A 51 51 SER CB C 51 64.701 65.624 -0.923 1
1 608 . 10 1 1 A 51 51 SER N N 51 119.156 115.585 3.571 1
1 609 . 10 1 1 A 52 52 VAL H H 52 8.416 9.168 -0.752 1
1 610 . 10 1 1 A 52 52 VAL HA H 52 5.196 5.196 0.000 1
1 618 . 10 1 1 A 52 52 VAL CA C 52 59.207 60.636 -1.429 1
1 619 . 10 1 1 A 52 52 VAL CB C 52 33.156 34.991 -1.835 1
1 622 . 10 1 1 A 52 52 VAL N N 52 121.797 125.407 -3.610 1
1 623 . 10 1 1 A 53 53 THR H H 53 8.383 8.599 -0.216 1
1 624 . 10 1 1 A 53 53 THR HA H 53 4.358 5.011 -0.653 1
1 629 . 10 1 1 A 53 53 THR C C 53 169.741 172.315 -2.574 1
1 630 . 10 1 1 A 53 53 THR CA C 53 58.375 59.247 -0.872 1
1 631 . 10 1 1 A 53 53 THR CB C 53 70.707 71.914 -1.207 1
1 633 . 10 1 1 A 53 53 THR N N 53 117.287 117.485 -0.198 1
1 634 . 10 1 1 A 54 54 PHE H H 54 8.737 8.916 -0.179 1
1 635 . 10 1 1 A 54 54 PHE HA H 54 4.536 4.979 -0.443 1
1 643 . 10 1 1 A 54 54 PHE C C 54 172.986 175.850 -2.864 1
1 644 . 10 1 1 A 54 54 PHE CA C 54 57.064 56.590 0.474 1
1 645 . 10 1 1 A 54 54 PHE CB C 54 38.755 39.928 -1.173 1
1 651 . 10 1 1 A 54 54 PHE N N 54 118.180 121.757 -3.577 1
1 652 . 10 1 1 A 55 55 PHE H H 55 9.167 9.411 -0.244 1
1 653 . 10 1 1 A 55 55 PHE HA H 55 3.715 4.577 -0.862 1
1 660 . 10 1 1 A 55 55 PHE CA C 55 57.908 57.094 0.814 1
1 661 . 10 1 1 A 55 55 PHE CB C 55 39.594 38.799 0.795 1
1 666 . 10 1 1 A 55 55 PHE N N 55 128.290 124.128 4.162 1
1 667 . 10 1 1 A 56 56 PRO HA H 56 2.356 3.739 -1.383 1
1 674 . 10 1 1 A 56 56 PRO C C 56 171.012 174.890 -3.878 1
1 675 . 10 1 1 A 56 56 PRO CA C 56 62.611 61.879 0.732 1
1 676 . 10 1 1 A 56 56 PRO CB C 56 32.522 30.025 2.497 1
1 679 . 10 1 1 A 57 57 ASP H H 57 9.009 8.450 0.559 1
1 680 . 10 1 1 A 57 57 ASP HA H 57 4.289 4.767 -0.478 1
1 683 . 10 1 1 A 57 57 ASP C C 57 173.257 174.752 -1.495 1
1 684 . 10 1 1 A 57 57 ASP CA C 57 53.752 53.539 0.213 1
1 685 . 10 1 1 A 57 57 ASP CB C 57 40.067 42.908 -2.841 1
1 686 . 10 1 1 A 57 57 ASP N N 57 127.876 122.550 5.326 1
1 687 . 10 1 1 A 58 58 LEU H H 58 8.368 8.475 -0.107 1
1 688 . 10 1 1 A 58 58 LEU HA H 58 4.229 4.738 -0.509 1
1 698 . 10 1 1 A 58 58 LEU C C 58 174.285 177.364 -3.079 1
1 699 . 10 1 1 A 58 58 LEU CA C 58 52.468 53.553 -1.085 1
1 700 . 10 1 1 A 58 58 LEU CB C 58 40.258 41.897 -1.639 1
1 704 . 10 1 1 A 58 58 LEU N N 58 128.010 121.314 6.696 1
1 705 . 10 1 1 A 59 59 ASN H H 59 8.430 8.594 -0.164 1
1 706 . 10 1 1 A 59 59 ASN HA H 59 4.198 4.464 -0.266 1
1 711 . 10 1 1 A 59 59 ASN C C 59 173.636 176.989 -3.353 1
1 712 . 10 1 1 A 59 59 ASN CA C 59 54.945 55.605 -0.660 1
1 713 . 10 1 1 A 59 59 ASN CB C 59 38.175 38.363 -0.188 1
1 714 . 10 1 1 A 59 59 ASN N N 59 116.745 119.095 -2.350 1
1 716 . 10 1 1 A 60 60 GLY H H 60 8.083 7.762 0.321 1
1 717 . 10 1 1 A 60 60 GLY HA2 H 60 3.766 4.049 -0.283 1
1 718 . 10 1 1 A 60 60 GLY HA3 H 60 3.326 4.060 -0.734 1
1 719 . 10 1 1 A 60 60 GLY C C 60 169.876 174.517 -4.641 1
1 720 . 10 1 1 A 60 60 GLY CA C 60 44.285 44.694 -0.409 1
1 721 . 10 1 1 A 60 60 GLY N N 60 110.045 108.542 1.503 1
1 722 . 10 1 1 A 61 61 ASP H H 61 8.084 9.138 -1.054 1
1 723 . 10 1 1 A 61 61 ASP HA H 61 4.200 4.466 -0.266 1
1 726 . 10 1 1 A 61 61 ASP C C 61 172.283 175.617 -3.334 1
1 727 . 10 1 1 A 61 61 ASP CA C 61 56.865 56.294 0.571 1
1 728 . 10 1 1 A 61 61 ASP CB C 61 42.113 41.433 0.680 1
1 729 . 10 1 1 A 61 61 ASP N N 61 121.395 119.628 1.767 1
1 730 . 10 1 1 A 62 62 VAL H H 62 8.387 7.760 0.627 1
1 731 . 10 1 1 A 62 62 VAL HA H 62 4.096 4.757 -0.661 1
1 739 . 10 1 1 A 62 62 VAL C C 62 171.255 174.265 -3.010 1
1 740 . 10 1 1 A 62 62 VAL CA C 62 58.914 60.380 -1.466 1
1 741 . 10 1 1 A 62 62 VAL CB C 62 34.433 36.085 -1.652 1
1 744 . 10 1 1 A 62 62 VAL N N 62 117.701 116.598 1.103 1
1 745 . 10 1 1 A 63 63 VAL H H 63 8.251 8.121 0.130 1
1 746 . 10 1 1 A 63 63 VAL HA H 63 4.637 4.877 -0.240 1
1 754 . 10 1 1 A 63 63 VAL C C 63 171.282 174.327 -3.045 1
1 755 . 10 1 1 A 63 63 VAL CA C 63 59.233 60.256 -1.023 1
1 756 . 10 1 1 A 63 63 VAL CB C 63 33.531 35.250 -1.719 1
1 759 . 10 1 1 A 63 63 VAL N N 63 125.341 125.104 0.237 1
1 760 . 10 1 1 A 64 64 ALA H H 64 9.316 8.962 0.354 1
1 761 . 10 1 1 A 64 64 ALA HA H 64 5.036 5.301 -0.265 1
1 765 . 10 1 1 A 64 64 ALA C C 64 173.825 175.977 -2.152 1
1 766 . 10 1 1 A 64 64 ALA CA C 64 49.059 50.434 -1.375 1
1 767 . 10 1 1 A 64 64 ALA CB C 64 20.323 21.949 -1.626 1
1 768 . 10 1 1 A 64 64 ALA N N 64 128.526 126.995 1.531 1
1 769 . 10 1 1 A 65 65 ILE H H 65 9.451 9.081 0.370 1
1 770 . 10 1 1 A 65 65 ILE HA H 65 4.475 4.588 -0.113 1
1 780 . 10 1 1 A 65 65 ILE C C 65 172.121 175.129 -3.008 1
1 781 . 10 1 1 A 65 65 ILE CA C 65 56.490 59.921 -3.431 1
1 782 . 10 1 1 A 65 65 ILE CB C 65 37.474 38.932 -1.458 1
1 786 . 10 1 1 A 65 65 ILE N N 65 126.677 122.814 3.863 1
1 787 . 10 1 1 A 66 66 ASP H H 66 9.165 8.531 0.634 1
1 788 . 10 1 1 A 66 66 ASP HA H 66 4.045 3.983 0.062 1
1 791 . 10 1 1 A 66 66 ASP C C 66 174.663 177.082 -2.419 1
1 792 . 10 1 1 A 66 66 ASP CA C 66 54.199 54.502 -0.303 1
1 793 . 10 1 1 A 66 66 ASP CB C 66 42.211 42.478 -0.267 1
1 794 . 10 1 1 A 66 66 ASP N N 66 128.723 126.270 2.453 1
1 795 . 10 1 1 A 67 67 TYR H H 67 8.919 9.169 -0.250 1
1 796 . 10 1 1 A 67 67 TYR HA H 67 4.344 4.297 0.047 1
1 801 . 10 1 1 A 67 67 TYR C C 67 173.257 177.211 -3.954 1
1 802 . 10 1 1 A 67 67 TYR CA C 67 59.614 61.851 -2.237 1
1 803 . 10 1 1 A 67 67 TYR CB C 67 39.338 38.989 0.349 1
1 806 . 10 1 1 A 67 67 TYR N N 67 127.739 128.484 -0.745 1
1 807 . 10 1 1 A 68 68 ARG H H 68 9.459 8.572 0.887 1
1 808 . 10 1 1 A 68 68 ARG HA H 68 3.923 3.844 0.079 1
1 815 . 10 1 1 A 68 68 ARG C C 68 174.150 177.713 -3.563 1
1 816 . 10 1 1 A 68 68 ARG CA C 68 57.691 59.460 -1.769 1
1 817 . 10 1 1 A 68 68 ARG CB C 68 27.945 29.973 -2.028 1
1 820 . 10 1 1 A 68 68 ARG N N 68 121.666 118.534 3.132 1
1 821 . 10 1 1 A 69 69 HIS H H 69 8.146 7.961 0.185 1
1 822 . 10 1 1 A 69 69 HIS HA H 69 4.538 4.533 0.005 1
1 826 . 10 1 1 A 69 69 HIS C C 69 171.391 174.732 -3.341 1
1 827 . 10 1 1 A 69 69 HIS CA C 69 55.405 56.850 -1.445 1
1 828 . 10 1 1 A 69 69 HIS CB C 69 29.458 29.616 -0.158 1
1 830 . 10 1 1 A 69 69 HIS N N 69 117.372 115.532 1.840 1
1 831 . 10 1 1 A 70 70 TYR H H 70 7.468 7.520 -0.052 1
1 832 . 10 1 1 A 70 70 TYR HA H 70 3.431 3.279 0.152 1
1 839 . 10 1 1 A 70 70 TYR C C 70 171.904 174.053 -2.149 1
1 840 . 10 1 1 A 70 70 TYR CA C 70 60.020 55.752 4.268 1
1 841 . 10 1 1 A 70 70 TYR CB C 70 37.554 36.910 0.644 1
1 846 . 10 1 1 A 70 70 TYR N N 70 121.636 122.152 -0.516 1
1 847 . 10 1 1 A 71 71 SER H H 71 5.657 8.527 -2.870 1
1 848 . 10 1 1 A 71 71 SER HA H 71 3.958 4.542 -0.584 1
1 851 . 10 1 1 A 71 71 SER C C 71 170.390 175.381 -4.991 1
1 852 . 10 1 1 A 71 71 SER CA C 71 55.267 57.105 -1.838 1
1 853 . 10 1 1 A 71 71 SER CB C 71 64.410 65.499 -1.089 1
1 854 . 10 1 1 A 71 71 SER N N 71 120.240 124.104 -3.864 1
1 855 . 10 1 1 A 72 72 ALA H H 72 8.461 8.880 -0.419 1
1 856 . 10 1 1 A 72 72 ALA HA H 72 3.757 3.963 -0.206 1
1 860 . 10 1 1 A 72 72 ALA CA C 72 54.250 54.308 -0.058 1
1 861 . 10 1 1 A 72 72 ALA CB C 72 17.423 18.312 -0.889 1
1 862 . 10 1 1 A 72 72 ALA N N 72 123.497 125.754 -2.257 1
1 863 . 10 1 1 A 73 73 SER HA H 73 3.904 3.863 0.041 1
1 866 . 10 1 1 A 73 73 SER C C 73 172.500 175.342 -2.842 1
1 867 . 10 1 1 A 73 73 SER CA C 73 59.873 62.041 -2.168 1
1 868 . 10 1 1 A 73 73 SER CB C 73 61.769 62.597 -0.828 1
1 869 . 10 1 1 A 74 74 PHE H H 74 7.508 7.855 -0.347 1
1 870 . 10 1 1 A 74 74 PHE HA H 74 5.163 4.894 0.269 1
1 877 . 10 1 1 A 74 74 PHE C C 74 173.987 176.228 -2.241 1
1 878 . 10 1 1 A 74 74 PHE CA C 74 53.320 57.114 -3.794 1
1 879 . 10 1 1 A 74 74 PHE CB C 74 37.854 39.038 -1.184 1
1 884 . 10 1 1 A 74 74 PHE N N 74 118.853 116.880 1.973 1
1 885 . 10 1 1 A 75 75 LYS H H 75 7.245 7.413 -0.168 1
1 886 . 10 1 1 A 75 75 LYS HA H 75 4.200 4.026 0.174 1
1 895 . 10 1 1 A 75 75 LYS C C 75 173.717 177.691 -3.974 1
1 896 . 10 1 1 A 75 75 LYS CA C 75 59.003 59.995 -0.992 1
1 897 . 10 1 1 A 75 75 LYS CB C 75 31.846 32.118 -0.272 1
1 901 . 10 1 1 A 75 75 LYS N N 75 121.129 122.299 -1.170 1
1 902 . 10 1 1 A 76 76 LYS H H 76 7.841 7.964 -0.123 1
1 903 . 10 1 1 A 76 76 LYS HA H 76 3.738 2.952 0.786 1
1 912 . 10 1 1 A 76 76 LYS C C 76 170.200 175.415 -5.215 1
1 913 . 10 1 1 A 76 76 LYS CA C 76 55.114 54.608 0.506 1
1 914 . 10 1 1 A 76 76 LYS CB C 76 32.393 32.612 -0.219 1
1 918 . 10 1 1 A 76 76 LYS N N 76 114.423 116.318 -1.895 1
1 919 . 10 1 1 A 77 77 GLY H H 77 7.239 7.092 0.147 1
1 920 . 10 1 1 A 77 77 GLY HA2 H 77 3.737 4.076 -0.339 1
1 921 . 10 1 1 A 77 77 GLY HA3 H 77 4.771 4.105 0.666 1
1 922 . 10 1 1 A 77 77 GLY C C 77 170.795 172.405 -1.610 1
1 923 . 10 1 1 A 77 77 GLY CA C 77 43.770 43.997 -0.227 1
1 924 . 10 1 1 A 77 77 GLY N N 77 103.318 107.349 -4.031 1
1 925 . 10 1 1 A 78 78 ALA H H 78 6.868 8.334 -1.466 1
1 926 . 10 1 1 A 78 78 ALA HA H 78 4.982 5.225 -0.243 1
1 930 . 10 1 1 A 78 78 ALA C C 78 171.904 175.929 -4.025 1
1 931 . 10 1 1 A 78 78 ALA CA C 78 49.907 51.259 -1.352 1
1 932 . 10 1 1 A 78 78 ALA CB C 78 22.601 23.607 -1.006 1
1 933 . 10 1 1 A 78 78 ALA N N 78 117.057 120.876 -3.819 1
1 934 . 10 1 1 A 79 79 LYS H H 79 8.765 8.906 -0.141 1
1 935 . 10 1 1 A 79 79 LYS HA H 79 4.636 4.916 -0.280 1
1 944 . 10 1 1 A 79 79 LYS C C 79 171.039 174.385 -3.346 1
1 945 . 10 1 1 A 79 79 LYS CA C 79 54.485 54.135 0.350 1
1 946 . 10 1 1 A 79 79 LYS CB C 79 35.963 36.273 -0.310 1
1 950 . 10 1 1 A 79 79 LYS N N 79 117.018 115.694 1.324 1
1 951 . 10 1 1 A 80 80 LEU H H 80 8.782 8.906 -0.124 1
1 952 . 10 1 1 A 80 80 LEU HA H 80 4.459 4.745 -0.286 1
1 962 . 10 1 1 A 80 80 LEU C C 80 173.095 177.644 -4.549 1
1 963 . 10 1 1 A 80 80 LEU CA C 80 52.743 52.754 -0.011 1
1 964 . 10 1 1 A 80 80 LEU CB C 80 42.494 45.102 -2.608 1
1 968 . 10 1 1 A 80 80 LEU N N 80 122.496 120.378 2.118 1
1 969 . 10 1 1 A 81 81 LEU H H 81 8.636 8.603 0.033 1
1 970 . 10 1 1 A 81 81 LEU HA H 81 3.578 3.993 -0.415 1
1 980 . 10 1 1 A 81 81 LEU CA C 81 57.316 58.768 -1.452 1
1 981 . 10 1 1 A 81 81 LEU CB C 81 39.032 42.209 -3.177 1
1 985 . 10 1 1 A 81 81 LEU N N 81 125.060 125.618 -0.558 1
1 986 . 10 1 1 A 82 82 HIS H H 82 8.379 7.719 0.660 1
1 987 . 10 1 1 A 82 82 HIS HA H 82 4.551 4.830 -0.279 1
1 992 . 10 1 1 A 82 82 HIS C C 82 172.635 173.958 -1.323 1
1 993 . 10 1 1 A 82 82 HIS CA C 82 55.432 55.124 0.308 1
1 994 . 10 1 1 A 82 82 HIS CB C 82 29.646 31.464 -1.818 1
1 997 . 10 1 1 A 82 82 HIS N N 82 114.387 111.670 2.717 1
1 998 . 10 1 1 A 83 83 LYS H H 83 8.023 7.479 0.544 1
1 999 . 10 1 1 A 83 83 LYS HA H 83 4.670 4.497 0.173 1
1 1008 . 10 1 1 A 83 83 LYS CA C 83 52.041 52.921 -0.880 1
1 1009 . 10 1 1 A 83 83 LYS CB C 83 32.741 34.033 -1.292 1
1 1013 . 10 1 1 A 83 83 LYS N N 83 122.886 119.248 3.638 1
1 1014 . 10 1 1 A 84 84 PRO HA H 84 4.585 4.719 -0.134 1
1 1021 . 10 1 1 A 84 84 PRO C C 84 172.797 176.131 -3.334 1
1 1022 . 10 1 1 A 84 84 PRO CA C 84 62.050 62.314 -0.264 1
1 1023 . 10 1 1 A 84 84 PRO CB C 84 32.770 32.486 0.284 1
1 1026 . 10 1 1 A 85 85 ILE H H 85 6.185 8.204 -2.019 1
1 1027 . 10 1 1 A 85 85 ILE HA H 85 5.743 5.348 0.395 1
1 1037 . 10 1 1 A 85 85 ILE C C 85 174.366 174.021 0.345 1
1 1038 . 10 1 1 A 85 85 ILE CA C 85 57.032 58.469 -1.437 1
1 1039 . 10 1 1 A 85 85 ILE CB C 85 41.265 42.051 -0.786 1
1 1043 . 10 1 1 A 85 85 ILE N N 85 107.777 116.185 -8.408 1
1 1044 . 10 1 1 A 86 86 VAL H H 86 7.552 8.639 -1.087 1
1 1045 . 10 1 1 A 86 86 VAL HA H 86 4.278 4.644 -0.366 1
1 1053 . 10 1 1 A 86 86 VAL CA C 86 59.345 58.753 0.592 1
1 1054 . 10 1 1 A 86 86 VAL CB C 86 34.990 36.135 -1.145 1
1 1057 . 10 1 1 A 86 86 VAL N N 86 109.584 116.983 -7.399 1
1 1058 . 10 1 1 A 87 87 TRP H H 87 10.036 8.483 1.553 1
1 1059 . 10 1 1 A 87 87 TRP HA H 87 6.158 5.818 0.340 1
1 1068 . 10 1 1 A 87 87 TRP C C 87 174.393 176.328 -1.935 1
1 1069 . 10 1 1 A 87 87 TRP CA C 87 55.238 54.980 0.258 1
1 1070 . 10 1 1 A 87 87 TRP CB C 87 32.786 31.880 0.906 1
1 1076 . 10 1 1 A 87 87 TRP N N 87 122.256 120.694 1.562 1
1 1078 . 10 1 1 A 88 88 HIS H H 88 8.802 9.116 -0.314 1
1 1079 . 10 1 1 A 88 88 HIS HA H 88 5.383 5.928 -0.545 1
1 1085 . 10 1 1 A 88 88 HIS CA C 88 53.902 53.550 0.352 1
1 1086 . 10 1 1 A 88 88 HIS CB C 88 37.553 33.491 4.062 1
1 1089 . 10 1 1 A 88 88 HIS N N 88 116.636 120.468 -3.832 1
1 1090 . 10 1 1 A 89 89 ILE H H 89 9.197 8.556 0.641 1
1 1091 . 10 1 1 A 89 89 ILE HA H 89 4.022 4.429 -0.407 1
1 1101 . 10 1 1 A 89 89 ILE C C 89 174.582 176.247 -1.665 1
1 1102 . 10 1 1 A 89 89 ILE CA C 89 61.042 60.236 0.806 1
1 1103 . 10 1 1 A 89 89 ILE CB C 89 40.176 40.424 -0.248 1
1 1107 . 10 1 1 A 89 89 ILE N N 89 118.669 120.234 -1.565 1
1 1108 . 10 1 1 A 90 90 ASN H H 90 9.688 9.135 0.553 1
1 1109 . 10 1 1 A 90 90 ASN HA H 90 4.281 4.375 -0.094 1
1 1114 . 10 1 1 A 90 90 ASN C C 90 171.418 174.053 -2.635 1
1 1115 . 10 1 1 A 90 90 ASN CA C 90 53.724 53.864 -0.140 1
1 1116 . 10 1 1 A 90 90 ASN CB C 90 36.919 36.096 0.823 1
1 1117 . 10 1 1 A 90 90 ASN N N 90 128.710 125.919 2.791 1
1 1119 . 10 1 1 A 91 91 GLN H H 91 10.928 8.314 2.614 1
1 1120 . 10 1 1 A 91 91 GLN HA H 91 2.586 2.392 0.194 1
1 1127 . 10 1 1 A 91 91 GLN C C 91 170.146 174.001 -3.855 1
1 1128 . 10 1 1 A 91 91 GLN CA C 91 55.444 56.623 -1.179 1
1 1129 . 10 1 1 A 91 91 GLN CB C 91 23.948 26.541 -2.593 1
1 1131 . 10 1 1 A 91 91 GLN N N 91 112.871 111.419 1.452 1
1 1133 . 10 1 1 A 92 92 ALA H H 92 7.692 7.706 -0.014 1
1 1134 . 10 1 1 A 92 92 ALA HA H 92 4.979 5.109 -0.130 1
1 1138 . 10 1 1 A 92 92 ALA C C 92 174.068 175.620 -1.552 1
1 1139 . 10 1 1 A 92 92 ALA CA C 92 49.792 50.744 -0.952 1
1 1140 . 10 1 1 A 92 92 ALA CB C 92 21.832 22.956 -1.124 1
1 1141 . 10 1 1 A 92 92 ALA N N 92 118.287 120.018 -1.731 1
1 1142 . 10 1 1 A 93 93 THR H H 93 9.026 9.100 -0.074 1
1 1143 . 10 1 1 A 93 93 THR HA H 93 5.281 5.547 -0.266 1
1 1148 . 10 1 1 A 93 93 THR C C 93 170.768 172.559 -1.791 1
1 1149 . 10 1 1 A 93 93 THR CA C 93 58.597 59.745 -1.148 1
1 1150 . 10 1 1 A 93 93 THR CB C 93 70.855 72.473 -1.618 1
1 1152 . 10 1 1 A 93 93 THR N N 93 114.894 113.407 1.487 1
1 1153 . 10 1 1 A 94 94 THR H H 94 8.292 8.320 -0.028 1
1 1154 . 10 1 1 A 94 94 THR HA H 94 4.903 4.862 0.041 1
1 1159 . 10 1 1 A 94 94 THR CA C 94 58.800 60.638 -1.838 1
1 1160 . 10 1 1 A 94 94 THR CB C 94 71.488 70.007 1.481 1
1 1162 . 10 1 1 A 94 94 THR N N 94 119.907 119.046 0.861 1
1 1163 . 10 1 1 A 95 95 LYS HA H 95 4.056 4.187 -0.131 1
1 1172 . 10 1 1 A 95 95 LYS CA C 95 59.376 60.368 -0.992 1
1 1173 . 10 1 1 A 95 95 LYS CB C 95 31.083 32.177 -1.094 1
1 1177 . 10 1 1 A 96 96 THR H H 96 7.773 8.070 -0.297 1
1 1178 . 10 1 1 A 96 96 THR HA H 96 3.798 4.033 -0.235 1
1 1183 . 10 1 1 A 96 96 THR C C 96 171.850 176.956 -5.106 1
1 1184 . 10 1 1 A 96 96 THR CA C 96 64.506 66.371 -1.865 1
1 1185 . 10 1 1 A 96 96 THR CB C 96 68.405 68.475 -0.070 1
1 1187 . 10 1 1 A 96 96 THR N N 96 113.841 115.761 -1.920 1
1 1188 . 10 1 1 A 97 97 THR H H 97 6.795 7.787 -0.992 1
1 1189 . 10 1 1 A 97 97 THR HA H 97 3.604 4.406 -0.802 1
1 1194 . 10 1 1 A 97 97 THR C C 97 171.959 176.487 -4.528 1
1 1195 . 10 1 1 A 97 97 THR CA C 97 61.209 63.787 -2.578 1
1 1196 . 10 1 1 A 97 97 THR CB C 97 67.962 69.244 -1.282 1
1 1198 . 10 1 1 A 97 97 THR N N 97 105.731 110.411 -4.680 1
1 1199 . 10 1 1 A 98 98 PHE H H 98 7.410 8.594 -1.184 1
1 1200 . 10 1 1 A 98 98 PHE HA H 98 4.220 4.046 0.174 1
1 1207 . 10 1 1 A 98 98 PHE C C 98 174.528 177.265 -2.737 1
1 1208 . 10 1 1 A 98 98 PHE CA C 98 61.879 61.768 0.111 1
1 1209 . 10 1 1 A 98 98 PHE CB C 98 38.875 39.290 -0.415 1
1 1214 . 10 1 1 A 98 98 PHE N N 98 126.402 123.888 2.514 1
1 1215 . 10 1 1 A 99 99 LYS H H 99 9.459 7.642 1.817 1
1 1216 . 10 1 1 A 99 99 LYS HA H 99 4.089 3.333 0.756 1
1 1225 . 10 1 1 A 99 99 LYS CA C 99 60.763 61.121 -0.358 1
1 1226 . 10 1 1 A 99 99 LYS CB C 99 28.635 30.893 -2.258 1
1 1230 . 10 1 1 A 99 99 LYS N N 99 121.490 117.516 3.974 1
1 1231 . 10 1 1 A 100 100 PRO HA H 100 4.922 4.593 0.329 1
1 1238 . 10 1 1 A 100 100 PRO C C 100 177.314 178.985 -1.671 1
1 1239 . 10 1 1 A 100 100 PRO CA C 100 66.173 65.130 1.043 1
1 1240 . 10 1 1 A 100 100 PRO CB C 100 31.535 31.216 0.319 1
1 1243 . 10 1 1 A 101 101 ASN H H 101 8.530 8.315 0.215 1
1 1244 . 10 1 1 A 101 101 ASN HA H 101 5.244 4.499 0.745 1
1 1249 . 10 1 1 A 101 101 ASN C C 101 175.204 177.821 -2.617 1
1 1250 . 10 1 1 A 101 101 ASN CA C 101 54.555 55.625 -1.070 1
1 1251 . 10 1 1 A 101 101 ASN CB C 101 36.187 38.480 -2.293 1
1 1252 . 10 1 1 A 101 101 ASN N N 101 115.238 116.299 -1.061 1
1 1254 . 10 1 1 A 102 102 THR H H 102 8.488 7.772 0.716 1
1 1255 . 10 1 1 A 102 102 THR HA H 102 4.184 3.911 0.273 1
1 1260 . 10 1 1 A 102 102 THR C C 102 171.472 176.666 -5.194 1
1 1261 . 10 1 1 A 102 102 THR CA C 102 67.543 65.584 1.959 1
1 1262 . 10 1 1 A 102 102 THR CB C 102 67.001 67.913 -0.912 1
1 1264 . 10 1 1 A 102 102 THR N N 102 120.254 111.391 8.863 1
1 1265 . 10 1 1 A 103 103 TRP H H 103 7.283 8.020 -0.737 1
1 1266 . 10 1 1 A 103 103 TRP HA H 103 3.986 4.294 -0.308 1
1 1275 . 10 1 1 A 103 103 TRP C C 103 175.800 178.114 -2.314 1
1 1276 . 10 1 1 A 103 103 TRP CA C 103 60.856 59.909 0.947 1
1 1277 . 10 1 1 A 103 103 TRP CB C 103 27.948 28.915 -0.967 1
1 1283 . 10 1 1 A 103 103 TRP N N 103 121.763 121.257 0.506 1
1 1285 . 10 1 1 A 104 104 CYS H H 104 8.233 7.769 0.464 1
1 1286 . 10 1 1 A 104 104 CYS HA H 104 4.272 4.146 0.126 1
1 1289 . 10 1 1 A 104 104 CYS C C 104 176.259 176.954 -0.695 1
1 1290 . 10 1 1 A 104 104 CYS CA C 104 65.226 62.291 2.935 1
1 1291 . 10 1 1 A 104 104 CYS CB C 104 26.949 26.895 0.054 1
1 1292 . 10 1 1 A 104 104 CYS N N 104 118.046 119.350 -1.304 1
1 1293 . 10 1 1 A 105 105 LEU H H 105 8.726 8.139 0.587 1
1 1294 . 10 1 1 A 105 105 LEU HA H 105 4.000 3.906 0.094 1
1 1304 . 10 1 1 A 105 105 LEU C C 105 176.205 179.077 -2.872 1
1 1305 . 10 1 1 A 105 105 LEU CA C 105 57.810 57.882 -0.072 1
1 1306 . 10 1 1 A 105 105 LEU CB C 105 40.484 41.348 -0.864 1
1 1310 . 10 1 1 A 105 105 LEU N N 105 120.557 121.356 -0.799 1
1 1311 . 10 1 1 A 106 106 ARG H H 106 6.990 8.102 -1.112 1
1 1312 . 10 1 1 A 106 106 ARG HA H 106 2.054 2.150 -0.096 1
1 1319 . 10 1 1 A 106 106 ARG C C 106 177.179 178.585 -1.406 1
1 1320 . 10 1 1 A 106 106 ARG CA C 106 57.405 58.800 -1.395 1
1 1321 . 10 1 1 A 106 106 ARG CB C 106 29.269 29.304 -0.035 1
1 1324 . 10 1 1 A 106 106 ARG N N 106 118.050 118.112 -0.062 1
1 1325 . 10 1 1 A 107 107 CYS H H 107 7.623 7.584 0.039 1
1 1326 . 10 1 1 A 107 107 CYS HA H 107 4.031 4.256 -0.225 1
1 1329 . 10 1 1 A 107 107 CYS C C 107 172.337 176.681 -4.344 1
1 1330 . 10 1 1 A 107 107 CYS CA C 107 63.291 61.773 1.518 1
1 1331 . 10 1 1 A 107 107 CYS CB C 107 26.214 27.061 -0.847 1
1 1332 . 10 1 1 A 107 107 CYS N N 107 117.028 118.949 -1.921 1
1 1333 . 10 1 1 A 108 108 LEU H H 108 7.484 7.427 0.057 1
1 1334 . 10 1 1 A 108 108 LEU HA H 108 4.159 4.227 -0.068 1
1 1344 . 10 1 1 A 108 108 LEU C C 108 174.582 177.418 -2.836 1
1 1345 . 10 1 1 A 108 108 LEU CA C 108 54.203 56.077 -1.874 1
1 1346 . 10 1 1 A 108 108 LEU CB C 108 41.621 42.516 -0.895 1
1 1350 . 10 1 1 A 108 108 LEU N N 108 117.680 117.856 -0.176 1
1 1351 . 10 1 1 A 109 109 TRP H H 109 7.427 7.725 -0.298 1
1 1352 . 10 1 1 A 109 109 TRP HA H 109 4.828 5.030 -0.202 1
1 1361 . 10 1 1 A 109 109 TRP C C 109 173.176 176.373 -3.197 1
1 1362 . 10 1 1 A 109 109 TRP CA C 109 56.353 58.260 -1.907 1
1 1363 . 10 1 1 A 109 109 TRP CB C 109 29.743 30.415 -0.672 1
1 1369 . 10 1 1 A 109 109 TRP N N 109 119.087 120.209 -1.122 1
1 1371 . 10 1 1 A 110 110 SER H H 110 8.199 8.837 -0.638 1
1 1372 . 10 1 1 A 110 110 SER HA H 110 4.688 5.049 -0.361 1
1 1375 . 10 1 1 A 110 110 SER C C 110 171.769 173.991 -2.222 1
1 1376 . 10 1 1 A 110 110 SER CA C 110 56.324 56.144 0.180 1
1 1377 . 10 1 1 A 110 110 SER CB C 110 64.513 65.037 -0.524 1
1 1378 . 10 1 1 A 110 110 SER N N 110 115.602 118.181 -2.579 1
1 1379 . 10 1 1 A 111 111 THR H H 111 8.268 8.763 -0.495 1
1 1380 . 10 1 1 A 111 111 THR HA H 111 4.425 4.738 -0.313 1
1 1385 . 10 1 1 A 111 111 THR C C 111 171.526 173.333 -1.807 1
1 1386 . 10 1 1 A 111 111 THR CA C 111 60.861 60.952 -0.091 1
1 1387 . 10 1 1 A 111 111 THR CB C 111 69.202 68.213 0.989 1
1 1389 . 10 1 1 A 111 111 THR N N 111 114.394 117.338 -2.944 1
1 1390 . 10 1 1 A 112 112 LYS H H 112 8.240 8.233 0.007 1
1 1391 . 10 1 1 A 112 112 LYS HA H 112 4.530 4.883 -0.353 1
1 1400 . 10 1 1 A 112 112 LYS CA C 112 53.768 52.982 0.786 1
1 1401 . 10 1 1 A 112 112 LYS CB C 112 32.067 35.053 -2.986 1
1 1405 . 10 1 1 A 112 112 LYS N N 112 125.207 126.671 -1.464 1
1 1406 . 10 1 1 A 113 113 PRO HA H 113 4.380 4.722 -0.342 1
1 1413 . 10 1 1 A 113 113 PRO C C 113 174.095 175.940 -1.845 1
1 1414 . 10 1 1 A 113 113 PRO CA C 113 62.381 62.733 -0.352 1
1 1415 . 10 1 1 A 113 113 PRO CB C 113 31.408 31.726 -0.318 1
1 1418 . 10 1 1 A 114 114 VAL H H 114 8.195 8.636 -0.441 1
1 1419 . 10 1 1 A 114 114 VAL HA H 114 4.029 4.476 -0.447 1
1 1427 . 10 1 1 A 114 114 VAL C C 114 173.122 174.784 -1.662 1
1 1428 . 10 1 1 A 114 114 VAL CA C 114 61.335 61.487 -0.152 1
1 1429 . 10 1 1 A 114 114 VAL CB C 114 32.153 32.521 -0.368 1
1 1432 . 10 1 1 A 114 114 VAL N N 114 120.113 123.677 -3.564 1
1 1433 . 10 1 1 A 115 115 ASP H H 115 8.345 8.644 -0.299 1
1 1434 . 10 1 1 A 115 115 ASP HA H 115 4.592 4.779 -0.187 1
1 1437 . 10 1 1 A 115 115 ASP C C 115 172.608 174.824 -2.216 1
1 1438 . 10 1 1 A 115 115 ASP CA C 115 53.202 53.785 -0.583 1
1 1439 . 10 1 1 A 115 115 ASP CB C 115 40.552 40.236 0.316 1
1 1440 . 10 1 1 A 115 115 ASP N N 115 123.853 127.100 -3.247 1
1 1 . 11 1 1 A 2 2 TYR HA H 2 4.617 5.215 -0.598 1
1 7 . 11 1 1 A 2 2 TYR C C 2 172.716 175.201 -2.485 1
1 8 . 11 1 1 A 2 2 TYR CA C 2 56.943 56.382 0.561 1
1 9 . 11 1 1 A 2 2 TYR CB C 2 38.050 41.580 -3.530 1
1 14 . 11 1 1 A 2 2 TYR N N 2 121.461 124.341 -2.880 1
1 15 . 11 1 1 A 3 3 THR H H 3 7.984 8.486 -0.502 1
1 16 . 11 1 1 A 3 3 THR HA H 3 4.684 4.419 0.265 1
1 21 . 11 1 1 A 3 3 THR C C 3 170.931 174.196 -3.265 1
1 22 . 11 1 1 A 3 3 THR CA C 3 60.870 61.264 -0.394 1
1 23 . 11 1 1 A 3 3 THR CB C 3 69.270 70.040 -0.770 1
1 25 . 11 1 1 A 3 3 THR N N 3 117.624 122.854 -5.230 1
1 26 . 11 1 1 A 4 4 GLU H H 4 8.290 7.759 0.531 1
1 27 . 11 1 1 A 4 4 GLU HA H 4 4.183 4.434 -0.251 1
1 32 . 11 1 1 A 4 4 GLU C C 4 173.013 176.452 -3.439 1
1 33 . 11 1 1 A 4 4 GLU CA C 4 55.876 56.798 -0.922 1
1 34 . 11 1 1 A 4 4 GLU CB C 4 29.779 30.695 -0.916 1
1 36 . 11 1 1 A 4 4 GLU N N 4 123.377 121.785 1.592 1
1 37 . 11 1 1 A 5 5 GLN H H 5 8.329 8.359 -0.030 1
1 38 . 11 1 1 A 5 5 GLN HA H 5 4.392 4.496 -0.104 1
1 43 . 11 1 1 A 5 5 GLN CA C 5 52.634 53.934 -1.300 1
1 44 . 11 1 1 A 5 5 GLN CB C 5 28.759 29.236 -0.477 1
1 46 . 11 1 1 A 5 5 GLN N N 5 122.599 122.373 0.226 1
1 47 . 11 1 1 A 6 6 PRO HA H 6 4.323 4.919 -0.596 1
1 54 . 11 1 1 A 6 6 PRO C C 6 173.636 176.374 -2.738 1
1 55 . 11 1 1 A 6 6 PRO CA C 6 62.080 62.597 -0.517 1
1 56 . 11 1 1 A 6 6 PRO CB C 6 30.785 33.003 -2.218 1
1 59 . 11 1 1 A 7 7 ILE H H 7 8.160 9.096 -0.936 1
1 60 . 11 1 1 A 7 7 ILE HA H 7 3.871 4.143 -0.272 1
1 70 . 11 1 1 A 7 7 ILE C C 7 172.770 176.121 -3.351 1
1 71 . 11 1 1 A 7 7 ILE CA C 7 60.589 60.898 -0.309 1
1 72 . 11 1 1 A 7 7 ILE CB C 7 38.318 36.310 2.008 1
1 76 . 11 1 1 A 7 7 ILE N N 7 121.913 121.242 0.671 1
1 77 . 11 1 1 A 8 8 ASP H H 8 8.126 8.811 -0.685 1
1 78 . 11 1 1 A 8 8 ASP HA H 8 4.584 4.161 0.423 1
1 81 . 11 1 1 A 8 8 ASP C C 8 171.742 175.122 -3.380 1
1 82 . 11 1 1 A 8 8 ASP CA C 8 53.265 55.430 -2.165 1
1 83 . 11 1 1 A 8 8 ASP CB C 8 39.521 39.649 -0.128 1
1 84 . 11 1 1 A 8 8 ASP N N 8 124.858 124.269 0.589 1
1 85 . 11 1 1 A 9 9 LEU H H 9 7.374 7.727 -0.353 1
1 86 . 11 1 1 A 9 9 LEU HA H 9 4.506 4.637 -0.131 1
1 96 . 11 1 1 A 9 9 LEU C C 9 174.041 175.858 -1.817 1
1 97 . 11 1 1 A 9 9 LEU CA C 9 53.779 54.350 -0.571 1
1 98 . 11 1 1 A 9 9 LEU CB C 9 43.411 43.253 0.158 1
1 102 . 11 1 1 A 9 9 LEU N N 9 122.151 120.149 2.002 1
1 103 . 11 1 1 A 10 10 VAL H H 10 8.827 8.831 -0.004 1
1 104 . 11 1 1 A 10 10 VAL HA H 10 4.841 4.929 -0.088 1
1 112 . 11 1 1 A 10 10 VAL CA C 10 57.706 58.380 -0.674 1
1 113 . 11 1 1 A 10 10 VAL CB C 10 33.895 35.107 -1.212 1
1 116 . 11 1 1 A 10 10 VAL N N 10 120.738 118.460 2.278 1
1 117 . 11 1 1 A 11 11 PRO HA H 11 4.766 5.047 -0.281 1
1 124 . 11 1 1 A 11 11 PRO C C 11 173.149 175.705 -2.556 1
1 125 . 11 1 1 A 11 11 PRO CA C 11 62.417 62.583 -0.166 1
1 126 . 11 1 1 A 11 11 PRO CB C 11 32.119 31.792 0.327 1
1 129 . 11 1 1 A 12 12 THR H H 12 7.408 8.550 -1.142 1
1 130 . 11 1 1 A 12 12 THR HA H 12 4.280 4.916 -0.636 1
1 135 . 11 1 1 A 12 12 THR C C 12 166.981 172.495 -5.514 1
1 136 . 11 1 1 A 12 12 THR CA C 12 59.142 59.230 -0.088 1
1 137 . 11 1 1 A 12 12 THR CB C 12 68.812 71.078 -2.266 1
1 139 . 11 1 1 A 12 12 THR N N 12 115.177 117.371 -2.194 1
1 140 . 11 1 1 A 13 13 GLN H H 13 7.953 8.890 -0.937 1
1 141 . 11 1 1 A 13 13 GLN HA H 13 5.073 4.964 0.109 1
1 146 . 11 1 1 A 13 13 GLN CA C 13 52.836 53.486 -0.650 1
1 147 . 11 1 1 A 13 13 GLN CB C 13 28.566 32.034 -3.468 1
1 149 . 11 1 1 A 13 13 GLN N N 13 113.324 119.458 -6.134 1
1 150 . 11 1 1 A 14 14 PRO HA H 14 4.340 4.668 -0.328 1
1 157 . 11 1 1 A 14 14 PRO C C 14 173.392 176.363 -2.971 1
1 158 . 11 1 1 A 14 14 PRO CA C 14 62.498 62.343 0.155 1
1 159 . 11 1 1 A 14 14 PRO CB C 14 31.565 33.144 -1.579 1
1 162 . 11 1 1 A 15 15 LEU H H 15 8.764 8.415 0.349 1
1 163 . 11 1 1 A 15 15 LEU HA H 15 4.511 4.897 -0.386 1
1 173 . 11 1 1 A 15 15 LEU CA C 15 52.597 51.398 1.199 1
1 174 . 11 1 1 A 15 15 LEU CB C 15 40.769 44.051 -3.282 1
1 178 . 11 1 1 A 15 15 LEU N N 15 124.665 118.085 6.580 1
1 179 . 11 1 1 A 16 16 PRO HA H 16 4.325 4.527 -0.202 1
1 186 . 11 1 1 A 16 16 PRO CA C 16 63.358 62.816 0.542 1
1 187 . 11 1 1 A 16 16 PRO CB C 16 31.187 32.628 -1.441 1
1 190 . 11 1 1 A 17 17 ASN H H 17 8.682 9.028 -0.346 1
1 191 . 11 1 1 A 17 17 ASN HA H 17 4.586 4.364 0.222 1
1 196 . 11 1 1 A 17 17 ASN C C 17 174.691 174.721 -0.030 1
1 197 . 11 1 1 A 17 17 ASN CA C 17 52.745 55.292 -2.547 1
1 198 . 11 1 1 A 17 17 ASN CB C 17 36.762 36.069 0.693 1
1 199 . 11 1 1 A 17 17 ASN N N 17 114.315 113.857 0.458 1
1 201 . 11 1 1 A 18 18 ALA H H 18 7.283 8.365 -1.082 1
1 202 . 11 1 1 A 18 18 ALA HA H 18 4.569 4.660 -0.091 1
1 206 . 11 1 1 A 18 18 ALA C C 18 174.041 176.984 -2.943 1
1 207 . 11 1 1 A 18 18 ALA CA C 18 51.618 53.196 -1.578 1
1 208 . 11 1 1 A 18 18 ALA CB C 18 20.698 19.767 0.931 1
1 209 . 11 1 1 A 18 18 ALA N N 18 121.620 124.025 -2.405 1
1 210 . 11 1 1 A 19 19 SER H H 19 8.744 8.897 -0.153 1
1 211 . 11 1 1 A 19 19 SER HA H 19 4.479 4.411 0.068 1
1 214 . 11 1 1 A 19 19 SER C C 19 169.984 172.016 -2.032 1
1 215 . 11 1 1 A 19 19 SER CA C 19 56.634 56.115 0.519 1
1 216 . 11 1 1 A 19 19 SER CB C 19 65.044 66.009 -0.965 1
1 217 . 11 1 1 A 19 19 SER N N 19 113.995 117.769 -3.774 1
1 218 . 11 1 1 A 20 20 PHE H H 20 7.753 7.705 0.048 1
1 219 . 11 1 1 A 20 20 PHE HA H 20 3.514 4.366 -0.852 1
1 226 . 11 1 1 A 20 20 PHE C C 20 172.635 174.311 -1.676 1
1 227 . 11 1 1 A 20 20 PHE CA C 20 58.070 58.784 -0.714 1
1 228 . 11 1 1 A 20 20 PHE CB C 20 37.588 39.377 -1.789 1
1 233 . 11 1 1 A 20 20 PHE N N 20 124.690 125.228 -0.538 1
1 234 . 11 1 1 A 21 21 ASP H H 21 8.288 7.587 0.701 1
1 235 . 11 1 1 A 21 21 ASP HA H 21 4.351 4.540 -0.189 1
1 238 . 11 1 1 A 21 21 ASP CA C 21 51.826 52.751 -0.925 1
1 239 . 11 1 1 A 21 21 ASP CB C 21 38.598 42.905 -4.307 1
1 240 . 11 1 1 A 21 21 ASP N N 21 127.080 121.924 5.156 1
1 241 . 11 1 1 A 22 22 ASN HA H 22 3.766 4.694 -0.928 1
1 246 . 11 1 1 A 22 22 ASN C C 22 171.688 175.275 -3.587 1
1 247 . 11 1 1 A 22 22 ASN CA C 22 54.954 54.814 0.140 1
1 248 . 11 1 1 A 22 22 ASN CB C 22 37.641 38.272 -0.631 1
1 250 . 11 1 1 A 23 23 PHE H H 23 5.484 7.793 -2.309 1
1 251 . 11 1 1 A 23 23 PHE HA H 23 4.804 4.462 0.342 1
1 259 . 11 1 1 A 23 23 PHE C C 23 169.768 174.922 -5.154 1
1 260 . 11 1 1 A 23 23 PHE CA C 23 54.649 57.844 -3.195 1
1 261 . 11 1 1 A 23 23 PHE CB C 23 39.850 39.307 0.543 1
1 267 . 11 1 1 A 23 23 PHE N N 23 112.858 118.531 -5.673 1
1 268 . 11 1 1 A 24 24 LYS H H 24 8.329 8.723 -0.394 1
1 269 . 11 1 1 A 24 24 LYS HA H 24 3.719 3.807 -0.088 1
1 278 . 11 1 1 A 24 24 LYS C C 24 171.959 176.012 -4.053 1
1 279 . 11 1 1 A 24 24 LYS CA C 24 53.756 55.346 -1.590 1
1 280 . 11 1 1 A 24 24 LYS CB C 24 36.279 32.856 3.423 1
1 284 . 11 1 1 A 24 24 LYS N N 24 119.724 123.439 -3.715 1
1 285 . 11 1 1 A 25 25 LEU H H 25 9.144 8.345 0.799 1
1 286 . 11 1 1 A 25 25 LEU HA H 25 5.462 5.360 0.102 1
1 296 . 11 1 1 A 25 25 LEU C C 25 174.609 175.547 -0.938 1
1 297 . 11 1 1 A 25 25 LEU CA C 25 53.208 52.828 0.380 1
1 298 . 11 1 1 A 25 25 LEU CB C 25 41.419 46.069 -4.650 1
1 302 . 11 1 1 A 25 25 LEU N N 25 126.849 120.888 5.961 1
1 303 . 11 1 1 A 26 26 THR H H 26 8.956 8.574 0.382 1
1 304 . 11 1 1 A 26 26 THR HA H 26 4.471 5.239 -0.768 1
1 309 . 11 1 1 A 26 26 THR C C 26 169.524 172.752 -3.228 1
1 310 . 11 1 1 A 26 26 THR CA C 26 58.769 59.730 -0.961 1
1 311 . 11 1 1 A 26 26 THR CB C 26 69.971 72.803 -2.832 1
1 313 . 11 1 1 A 26 26 THR N N 26 113.907 109.401 4.506 1
1 314 . 11 1 1 A 27 27 CYS H H 27 8.507 8.519 -0.012 1
1 315 . 11 1 1 A 27 27 CYS HA H 27 4.509 4.746 -0.237 1
1 318 . 11 1 1 A 27 27 CYS C C 27 169.984 174.686 -4.702 1
1 319 . 11 1 1 A 27 27 CYS CA C 27 57.948 57.101 0.847 1
1 320 . 11 1 1 A 27 27 CYS CB C 27 29.529 30.769 -1.240 1
1 321 . 11 1 1 A 27 27 CYS N N 27 120.842 119.071 1.771 1
1 322 . 11 1 1 A 28 28 SER H H 28 9.044 7.776 1.268 1
1 323 . 11 1 1 A 28 28 SER HA H 28 4.140 4.130 0.010 1
1 326 . 11 1 1 A 28 28 SER C C 28 172.716 174.571 -1.855 1
1 327 . 11 1 1 A 28 28 SER CA C 28 60.986 61.435 -0.449 1
1 328 . 11 1 1 A 28 28 SER CB C 28 61.437 62.604 -1.167 1
1 329 . 11 1 1 A 28 28 SER N N 28 124.898 116.875 8.023 1
1 330 . 11 1 1 A 29 29 ASN H H 29 7.825 7.525 0.300 1
1 331 . 11 1 1 A 29 29 ASN HA H 29 4.951 4.961 -0.010 1
1 336 . 11 1 1 A 29 29 ASN C C 29 171.688 175.879 -4.191 1
1 337 . 11 1 1 A 29 29 ASN CA C 29 52.155 52.110 0.045 1
1 338 . 11 1 1 A 29 29 ASN CB C 29 36.980 39.568 -2.588 1
1 339 . 11 1 1 A 29 29 ASN N N 29 121.001 119.218 1.783 1
1 341 . 11 1 1 A 30 30 THR H H 30 8.062 8.817 -0.755 1
1 342 . 11 1 1 A 30 30 THR HA H 30 3.901 3.997 -0.096 1
1 347 . 11 1 1 A 30 30 THR C C 30 173.338 176.641 -3.303 1
1 348 . 11 1 1 A 30 30 THR CA C 30 64.874 66.465 -1.591 1
1 349 . 11 1 1 A 30 30 THR CB C 30 67.715 68.631 -0.916 1
1 351 . 11 1 1 A 30 30 THR N N 30 119.799 119.163 0.636 1
1 352 . 11 1 1 A 31 31 LYS H H 31 8.015 7.730 0.285 1
1 353 . 11 1 1 A 31 31 LYS HA H 31 4.119 4.040 0.079 1
1 362 . 11 1 1 A 31 31 LYS C C 31 174.231 178.442 -4.211 1
1 363 . 11 1 1 A 31 31 LYS CA C 31 58.286 59.166 -0.880 1
1 364 . 11 1 1 A 31 31 LYS CB C 31 31.547 32.227 -0.680 1
1 368 . 11 1 1 A 31 31 LYS N N 31 122.845 122.491 0.354 1
1 369 . 11 1 1 A 32 32 PHE H H 32 7.739 8.816 -1.077 1
1 370 . 11 1 1 A 32 32 PHE HA H 32 4.652 4.226 0.426 1
1 378 . 11 1 1 A 32 32 PHE C C 32 174.691 177.169 -2.478 1
1 379 . 11 1 1 A 32 32 PHE CA C 32 59.954 62.024 -2.070 1
1 380 . 11 1 1 A 32 32 PHE CB C 32 38.444 39.422 -0.978 1
1 386 . 11 1 1 A 32 32 PHE N N 32 120.100 121.236 -1.136 1
1 387 . 11 1 1 A 33 33 ALA H H 33 6.955 8.159 -1.204 1
1 388 . 11 1 1 A 33 33 ALA HA H 33 3.555 4.060 -0.505 1
1 392 . 11 1 1 A 33 33 ALA C C 33 175.502 180.351 -4.849 1
1 393 . 11 1 1 A 33 33 ALA CA C 33 54.703 55.090 -0.387 1
1 394 . 11 1 1 A 33 33 ALA CB C 33 17.085 18.233 -1.148 1
1 395 . 11 1 1 A 33 33 ALA N N 33 116.140 120.946 -4.806 1
1 396 . 11 1 1 A 34 34 ASP H H 34 8.795 7.992 0.803 1
1 397 . 11 1 1 A 34 34 ASP HA H 34 4.367 4.413 -0.046 1
1 400 . 11 1 1 A 34 34 ASP C C 34 176.854 177.877 -1.023 1
1 401 . 11 1 1 A 34 34 ASP CA C 34 56.911 56.816 0.095 1
1 402 . 11 1 1 A 34 34 ASP CB C 34 39.495 40.708 -1.213 1
1 403 . 11 1 1 A 34 34 ASP N N 34 118.170 118.294 -0.124 1
1 404 . 11 1 1 A 35 35 ASP H H 35 8.791 8.215 0.576 1
1 405 . 11 1 1 A 35 35 ASP HA H 35 4.360 4.390 -0.030 1
1 408 . 11 1 1 A 35 35 ASP C C 35 177.233 178.580 -1.347 1
1 409 . 11 1 1 A 35 35 ASP CA C 35 56.890 56.849 0.041 1
1 410 . 11 1 1 A 35 35 ASP CB C 35 39.291 40.831 -1.540 1
1 411 . 11 1 1 A 35 35 ASP N N 35 121.921 119.901 2.020 1
1 412 . 11 1 1 A 36 36 LEU H H 36 7.792 8.284 -0.492 1
1 413 . 11 1 1 A 36 36 LEU HA H 36 4.162 3.908 0.254 1
1 423 . 11 1 1 A 36 36 LEU C C 36 176.097 179.454 -3.357 1
1 424 . 11 1 1 A 36 36 LEU CA C 36 57.508 57.873 -0.365 1
1 425 . 11 1 1 A 36 36 LEU CB C 36 41.523 41.178 0.345 1
1 429 . 11 1 1 A 36 36 LEU N N 36 121.822 119.706 2.116 1
1 430 . 11 1 1 A 37 37 ASN H H 37 9.015 8.451 0.564 1
1 431 . 11 1 1 A 37 37 ASN HA H 37 4.733 4.480 0.253 1
1 436 . 11 1 1 A 37 37 ASN C C 37 176.232 178.159 -1.927 1
1 437 . 11 1 1 A 37 37 ASN CA C 37 54.288 56.499 -2.211 1
1 438 . 11 1 1 A 37 37 ASN CB C 37 37.337 38.042 -0.705 1
1 439 . 11 1 1 A 37 37 ASN N N 37 116.904 118.365 -1.461 1
1 441 . 11 1 1 A 38 38 GLN H H 38 8.218 7.555 0.663 1
1 442 . 11 1 1 A 38 38 GLN HA H 38 4.074 4.135 -0.061 1
1 447 . 11 1 1 A 38 38 GLN C C 38 175.773 178.684 -2.911 1
1 448 . 11 1 1 A 38 38 GLN CA C 38 58.134 58.317 -0.183 1
1 449 . 11 1 1 A 38 38 GLN CB C 38 27.676 27.926 -0.250 1
1 451 . 11 1 1 A 38 38 GLN N N 38 121.443 119.780 1.663 1
1 452 . 11 1 1 A 39 39 MET H H 39 7.487 8.068 -0.581 1
1 453 . 11 1 1 A 39 39 MET HA H 39 3.967 4.211 -0.244 1
1 461 . 11 1 1 A 39 39 MET C C 39 176.259 177.808 -1.549 1
1 462 . 11 1 1 A 39 39 MET CA C 39 58.374 57.900 0.474 1
1 463 . 11 1 1 A 39 39 MET CB C 39 33.000 32.495 0.505 1
1 466 . 11 1 1 A 39 39 MET N N 39 118.793 119.493 -0.700 1
1 467 . 11 1 1 A 40 40 THR H H 40 7.873 7.414 0.459 1
1 468 . 11 1 1 A 40 40 THR HA H 40 3.769 4.144 -0.375 1
1 473 . 11 1 1 A 40 40 THR C C 40 173.906 175.841 -1.935 1
1 474 . 11 1 1 A 40 40 THR CA C 40 61.739 62.321 -0.582 1
1 475 . 11 1 1 A 40 40 THR CB C 40 68.427 69.629 -1.202 1
1 477 . 11 1 1 A 40 40 THR N N 40 108.945 108.442 0.503 1
1 478 . 11 1 1 A 41 41 GLY H H 41 7.199 7.422 -0.223 1
1 479 . 11 1 1 A 41 41 GLY HA2 H 41 3.899 3.791 0.108 1
1 480 . 11 1 1 A 41 41 GLY HA3 H 41 3.662 3.799 -0.137 1
1 481 . 11 1 1 A 41 41 GLY C C 41 171.661 174.248 -2.587 1
1 482 . 11 1 1 A 41 41 GLY CA C 41 44.926 45.568 -0.642 1
1 483 . 11 1 1 A 41 41 GLY N N 41 106.430 111.225 -4.795 1
1 484 . 11 1 1 A 42 42 PHE H H 42 7.876 7.762 0.114 1
1 485 . 11 1 1 A 42 42 PHE HA H 42 4.682 4.541 0.141 1
1 493 . 11 1 1 A 42 42 PHE C C 42 171.499 174.845 -3.346 1
1 494 . 11 1 1 A 42 42 PHE CA C 42 57.793 59.104 -1.311 1
1 495 . 11 1 1 A 42 42 PHE CB C 42 39.422 39.674 -0.252 1
1 501 . 11 1 1 A 42 42 PHE N N 42 122.221 121.568 0.653 1
1 502 . 11 1 1 A 43 43 THR H H 43 8.418 8.005 0.413 1
1 503 . 11 1 1 A 43 43 THR HA H 43 3.665 4.170 -0.505 1
1 508 . 11 1 1 A 43 43 THR C C 43 168.767 173.177 -4.410 1
1 509 . 11 1 1 A 43 43 THR CA C 43 59.002 60.563 -1.561 1
1 510 . 11 1 1 A 43 43 THR CB C 43 70.919 71.728 -0.809 1
1 512 . 11 1 1 A 43 43 THR N N 43 123.470 122.292 1.178 1
1 513 . 11 1 1 A 44 44 LYS H H 44 7.999 8.171 -0.172 1
1 514 . 11 1 1 A 44 44 LYS HA H 44 3.924 4.616 -0.692 1
1 523 . 11 1 1 A 44 44 LYS CA C 44 54.785 54.952 -0.167 1
1 524 . 11 1 1 A 44 44 LYS CB C 44 31.047 31.556 -0.509 1
1 528 . 11 1 1 A 44 44 LYS N N 44 124.728 126.377 -1.649 1
1 529 . 11 1 1 A 45 45 PRO HA H 45 4.581 4.564 0.017 1
1 536 . 11 1 1 A 45 45 PRO C C 45 172.770 176.867 -4.097 1
1 537 . 11 1 1 A 45 45 PRO CA C 45 60.970 62.726 -1.756 1
1 538 . 11 1 1 A 45 45 PRO CB C 45 33.754 32.702 1.052 1
1 541 . 11 1 1 A 46 46 ALA H H 46 8.715 8.523 0.192 1
1 542 . 11 1 1 A 46 46 ALA HA H 46 4.674 4.785 -0.111 1
1 546 . 11 1 1 A 46 46 ALA C C 46 175.827 178.416 -2.589 1
1 547 . 11 1 1 A 46 46 ALA CA C 46 50.851 52.215 -1.364 1
1 548 . 11 1 1 A 46 46 ALA CB C 46 20.458 19.446 1.012 1
1 549 . 11 1 1 A 46 46 ALA N N 46 123.249 125.021 -1.772 1
1 550 . 11 1 1 A 47 47 SER H H 47 8.518 8.872 -0.354 1
1 551 . 11 1 1 A 47 47 SER HA H 47 4.202 4.557 -0.355 1
1 554 . 11 1 1 A 47 47 SER C C 47 171.769 174.675 -2.906 1
1 555 . 11 1 1 A 47 47 SER CA C 47 58.740 59.580 -0.840 1
1 556 . 11 1 1 A 47 47 SER CB C 47 62.419 64.086 -1.667 1
1 557 . 11 1 1 A 47 47 SER N N 47 117.696 117.029 0.667 1
1 558 . 11 1 1 A 48 48 ARG H H 48 7.276 7.732 -0.456 1
1 559 . 11 1 1 A 48 48 ARG HA H 48 4.466 4.681 -0.215 1
1 566 . 11 1 1 A 48 48 ARG C C 48 170.417 173.379 -2.962 1
1 567 . 11 1 1 A 48 48 ARG CA C 48 54.164 54.552 -0.388 1
1 568 . 11 1 1 A 48 48 ARG CB C 48 29.775 33.062 -3.287 1
1 571 . 11 1 1 A 48 48 ARG N N 48 115.830 117.607 -1.777 1
1 572 . 11 1 1 A 49 49 GLU H H 49 8.681 8.569 0.112 1
1 573 . 11 1 1 A 49 49 GLU HA H 49 5.373 5.238 0.135 1
1 578 . 11 1 1 A 49 49 GLU C C 49 172.716 175.017 -2.301 1
1 579 . 11 1 1 A 49 49 GLU CA C 49 53.744 54.561 -0.817 1
1 580 . 11 1 1 A 49 49 GLU CB C 49 32.057 33.372 -1.315 1
1 582 . 11 1 1 A 49 49 GLU N N 49 119.800 118.347 1.453 1
1 583 . 11 1 1 A 50 50 LEU H H 50 8.720 8.823 -0.103 1
1 584 . 11 1 1 A 50 50 LEU HA H 50 4.821 5.091 -0.270 1
1 594 . 11 1 1 A 50 50 LEU C C 50 171.932 176.055 -4.123 1
1 595 . 11 1 1 A 50 50 LEU CA C 50 52.447 53.330 -0.883 1
1 596 . 11 1 1 A 50 50 LEU CB C 50 44.748 46.325 -1.577 1
1 600 . 11 1 1 A 50 50 LEU N N 50 124.747 122.662 2.085 1
1 601 . 11 1 1 A 51 51 SER H H 51 9.560 8.981 0.579 1
1 602 . 11 1 1 A 51 51 SER HA H 51 4.881 5.660 -0.779 1
1 605 . 11 1 1 A 51 51 SER C C 51 171.769 172.649 -0.880 1
1 606 . 11 1 1 A 51 51 SER CA C 51 55.707 56.433 -0.726 1
1 607 . 11 1 1 A 51 51 SER CB C 51 64.701 67.052 -2.351 1
1 608 . 11 1 1 A 51 51 SER N N 51 119.156 115.056 4.100 1
1 609 . 11 1 1 A 52 52 VAL H H 52 8.416 8.625 -0.209 1
1 610 . 11 1 1 A 52 52 VAL HA H 52 5.196 5.231 -0.035 1
1 618 . 11 1 1 A 52 52 VAL CA C 52 59.207 60.281 -1.074 1
1 619 . 11 1 1 A 52 52 VAL CB C 52 33.156 35.936 -2.780 1
1 622 . 11 1 1 A 52 52 VAL N N 52 121.797 122.510 -0.713 1
1 623 . 11 1 1 A 53 53 THR H H 53 8.383 8.847 -0.464 1
1 624 . 11 1 1 A 53 53 THR HA H 53 4.358 5.027 -0.669 1
1 629 . 11 1 1 A 53 53 THR C C 53 169.741 172.709 -2.968 1
1 630 . 11 1 1 A 53 53 THR CA C 53 58.375 58.952 -0.577 1
1 631 . 11 1 1 A 53 53 THR CB C 53 70.707 72.062 -1.355 1
1 633 . 11 1 1 A 53 53 THR N N 53 117.287 117.094 0.193 1
1 634 . 11 1 1 A 54 54 PHE H H 54 8.737 8.626 0.111 1
1 635 . 11 1 1 A 54 54 PHE HA H 54 4.536 5.166 -0.630 1
1 643 . 11 1 1 A 54 54 PHE C C 54 172.986 175.549 -2.563 1
1 644 . 11 1 1 A 54 54 PHE CA C 54 57.064 56.318 0.746 1
1 645 . 11 1 1 A 54 54 PHE CB C 54 38.755 40.937 -2.182 1
1 651 . 11 1 1 A 54 54 PHE N N 54 118.180 119.438 -1.258 1
1 652 . 11 1 1 A 55 55 PHE H H 55 9.167 8.806 0.361 1
1 653 . 11 1 1 A 55 55 PHE HA H 55 3.715 4.531 -0.816 1
1 660 . 11 1 1 A 55 55 PHE CA C 55 57.908 57.523 0.385 1
1 661 . 11 1 1 A 55 55 PHE CB C 55 39.594 39.453 0.141 1
1 666 . 11 1 1 A 55 55 PHE N N 55 128.290 124.681 3.609 1
1 667 . 11 1 1 A 56 56 PRO HA H 56 2.356 3.293 -0.937 1
1 674 . 11 1 1 A 56 56 PRO C C 56 171.012 175.600 -4.588 1
1 675 . 11 1 1 A 56 56 PRO CA C 56 62.611 63.472 -0.861 1
1 676 . 11 1 1 A 56 56 PRO CB C 56 32.522 31.541 0.981 1
1 679 . 11 1 1 A 57 57 ASP H H 57 9.009 8.238 0.771 1
1 680 . 11 1 1 A 57 57 ASP HA H 57 4.289 4.544 -0.255 1
1 683 . 11 1 1 A 57 57 ASP C C 57 173.257 177.054 -3.797 1
1 684 . 11 1 1 A 57 57 ASP CA C 57 53.752 53.863 -0.111 1
1 685 . 11 1 1 A 57 57 ASP CB C 57 40.067 41.074 -1.007 1
1 686 . 11 1 1 A 57 57 ASP N N 57 127.876 122.934 4.942 1
1 687 . 11 1 1 A 58 58 LEU H H 58 8.368 8.274 0.094 1
1 688 . 11 1 1 A 58 58 LEU HA H 58 4.229 4.782 -0.553 1
1 698 . 11 1 1 A 58 58 LEU C C 58 174.285 177.354 -3.069 1
1 699 . 11 1 1 A 58 58 LEU CA C 58 52.468 53.853 -1.385 1
1 700 . 11 1 1 A 58 58 LEU CB C 58 40.258 41.975 -1.717 1
1 704 . 11 1 1 A 58 58 LEU N N 58 128.010 119.400 8.610 1
1 705 . 11 1 1 A 59 59 ASN H H 59 8.430 8.190 0.240 1
1 706 . 11 1 1 A 59 59 ASN HA H 59 4.198 4.659 -0.461 1
1 711 . 11 1 1 A 59 59 ASN C C 59 173.636 176.424 -2.788 1
1 712 . 11 1 1 A 59 59 ASN CA C 59 54.945 55.023 -0.078 1
1 713 . 11 1 1 A 59 59 ASN CB C 59 38.175 38.894 -0.719 1
1 714 . 11 1 1 A 59 59 ASN N N 59 116.745 117.925 -1.180 1
1 716 . 11 1 1 A 60 60 GLY H H 60 8.083 8.056 0.027 1
1 717 . 11 1 1 A 60 60 GLY HA2 H 60 3.766 4.051 -0.285 1
1 718 . 11 1 1 A 60 60 GLY HA3 H 60 3.326 4.053 -0.727 1
1 719 . 11 1 1 A 60 60 GLY C C 60 169.876 174.722 -4.846 1
1 720 . 11 1 1 A 60 60 GLY CA C 60 44.285 44.867 -0.582 1
1 721 . 11 1 1 A 60 60 GLY N N 60 110.045 107.690 2.355 1
1 722 . 11 1 1 A 61 61 ASP H H 61 8.084 8.889 -0.805 1
1 723 . 11 1 1 A 61 61 ASP HA H 61 4.200 4.433 -0.233 1
1 726 . 11 1 1 A 61 61 ASP C C 61 172.283 175.862 -3.579 1
1 727 . 11 1 1 A 61 61 ASP CA C 61 56.865 56.633 0.232 1
1 728 . 11 1 1 A 61 61 ASP CB C 61 42.113 41.178 0.935 1
1 729 . 11 1 1 A 61 61 ASP N N 61 121.395 120.016 1.379 1
1 730 . 11 1 1 A 62 62 VAL H H 62 8.387 7.769 0.618 1
1 731 . 11 1 1 A 62 62 VAL HA H 62 4.096 4.600 -0.504 1
1 739 . 11 1 1 A 62 62 VAL C C 62 171.255 174.508 -3.253 1
1 740 . 11 1 1 A 62 62 VAL CA C 62 58.914 60.084 -1.170 1
1 741 . 11 1 1 A 62 62 VAL CB C 62 34.433 35.171 -0.738 1
1 744 . 11 1 1 A 62 62 VAL N N 62 117.701 116.576 1.125 1
1 745 . 11 1 1 A 63 63 VAL H H 63 8.251 8.430 -0.179 1
1 746 . 11 1 1 A 63 63 VAL HA H 63 4.637 5.094 -0.457 1
1 754 . 11 1 1 A 63 63 VAL C C 63 171.282 174.367 -3.085 1
1 755 . 11 1 1 A 63 63 VAL CA C 63 59.233 59.792 -0.559 1
1 756 . 11 1 1 A 63 63 VAL CB C 63 33.531 36.030 -2.499 1
1 759 . 11 1 1 A 63 63 VAL N N 63 125.341 123.604 1.737 1
1 760 . 11 1 1 A 64 64 ALA H H 64 9.316 8.585 0.731 1
1 761 . 11 1 1 A 64 64 ALA HA H 64 5.036 5.406 -0.370 1
1 765 . 11 1 1 A 64 64 ALA C C 64 173.825 175.539 -1.714 1
1 766 . 11 1 1 A 64 64 ALA CA C 64 49.059 50.337 -1.278 1
1 767 . 11 1 1 A 64 64 ALA CB C 64 20.323 23.933 -3.610 1
1 768 . 11 1 1 A 64 64 ALA N N 64 128.526 124.810 3.716 1
1 769 . 11 1 1 A 65 65 ILE H H 65 9.451 9.079 0.372 1
1 770 . 11 1 1 A 65 65 ILE HA H 65 4.475 4.804 -0.329 1
1 780 . 11 1 1 A 65 65 ILE C C 65 172.121 174.817 -2.696 1
1 781 . 11 1 1 A 65 65 ILE CA C 65 56.490 59.580 -3.090 1
1 782 . 11 1 1 A 65 65 ILE CB C 65 37.474 41.573 -4.099 1
1 786 . 11 1 1 A 65 65 ILE N N 65 126.677 120.005 6.672 1
1 787 . 11 1 1 A 66 66 ASP H H 66 9.165 8.749 0.416 1
1 788 . 11 1 1 A 66 66 ASP HA H 66 4.045 4.123 -0.078 1
1 791 . 11 1 1 A 66 66 ASP C C 66 174.663 177.188 -2.525 1
1 792 . 11 1 1 A 66 66 ASP CA C 66 54.199 54.511 -0.312 1
1 793 . 11 1 1 A 66 66 ASP CB C 66 42.211 42.170 0.041 1
1 794 . 11 1 1 A 66 66 ASP N N 66 128.723 126.039 2.684 1
1 795 . 11 1 1 A 67 67 TYR H H 67 8.919 9.006 -0.087 1
1 796 . 11 1 1 A 67 67 TYR HA H 67 4.344 4.046 0.298 1
1 801 . 11 1 1 A 67 67 TYR C C 67 173.257 177.092 -3.835 1
1 802 . 11 1 1 A 67 67 TYR CA C 67 59.614 61.712 -2.098 1
1 803 . 11 1 1 A 67 67 TYR CB C 67 39.338 38.876 0.462 1
1 806 . 11 1 1 A 67 67 TYR N N 67 127.739 128.426 -0.687 1
1 807 . 11 1 1 A 68 68 ARG H H 68 9.459 8.674 0.785 1
1 808 . 11 1 1 A 68 68 ARG HA H 68 3.923 3.906 0.017 1
1 815 . 11 1 1 A 68 68 ARG C C 68 174.150 177.586 -3.436 1
1 816 . 11 1 1 A 68 68 ARG CA C 68 57.691 58.416 -0.725 1
1 817 . 11 1 1 A 68 68 ARG CB C 68 27.945 29.486 -1.541 1
1 820 . 11 1 1 A 68 68 ARG N N 68 121.666 117.917 3.749 1
1 821 . 11 1 1 A 69 69 HIS H H 69 8.146 7.680 0.466 1
1 822 . 11 1 1 A 69 69 HIS HA H 69 4.538 4.221 0.317 1
1 826 . 11 1 1 A 69 69 HIS C C 69 171.391 175.723 -4.332 1
1 827 . 11 1 1 A 69 69 HIS CA C 69 55.405 58.545 -3.140 1
1 828 . 11 1 1 A 69 69 HIS CB C 69 29.458 30.112 -0.654 1
1 830 . 11 1 1 A 69 69 HIS N N 69 117.372 117.199 0.173 1
1 831 . 11 1 1 A 70 70 TYR H H 70 7.468 7.287 0.181 1
1 832 . 11 1 1 A 70 70 TYR HA H 70 3.431 3.914 -0.483 1
1 839 . 11 1 1 A 70 70 TYR C C 70 171.904 175.545 -3.641 1
1 840 . 11 1 1 A 70 70 TYR CA C 70 60.020 56.654 3.366 1
1 841 . 11 1 1 A 70 70 TYR CB C 70 37.554 37.004 0.550 1
1 846 . 11 1 1 A 70 70 TYR N N 70 121.636 121.745 -0.109 1
1 847 . 11 1 1 A 71 71 SER H H 71 5.657 8.923 -3.266 1
1 848 . 11 1 1 A 71 71 SER HA H 71 3.958 4.569 -0.611 1
1 851 . 11 1 1 A 71 71 SER C C 71 170.390 173.386 -2.996 1
1 852 . 11 1 1 A 71 71 SER CA C 71 55.267 57.848 -2.581 1
1 853 . 11 1 1 A 71 71 SER CB C 71 64.410 63.426 0.984 1
1 854 . 11 1 1 A 71 71 SER N N 71 120.240 125.189 -4.949 1
1 855 . 11 1 1 A 72 72 ALA H H 72 8.461 7.722 0.739 1
1 856 . 11 1 1 A 72 72 ALA HA H 72 3.757 4.060 -0.303 1
1 860 . 11 1 1 A 72 72 ALA CA C 72 54.250 54.148 0.102 1
1 861 . 11 1 1 A 72 72 ALA CB C 72 17.423 16.968 0.455 1
1 862 . 11 1 1 A 72 72 ALA N N 72 123.497 121.834 1.663 1
1 863 . 11 1 1 A 73 73 SER HA H 73 3.904 3.940 -0.036 1
1 866 . 11 1 1 A 73 73 SER C C 73 172.500 174.890 -2.390 1
1 867 . 11 1 1 A 73 73 SER CA C 73 59.873 61.422 -1.549 1
1 868 . 11 1 1 A 73 73 SER CB C 73 61.769 62.547 -0.778 1
1 869 . 11 1 1 A 74 74 PHE H H 74 7.508 8.158 -0.650 1
1 870 . 11 1 1 A 74 74 PHE HA H 74 5.163 4.876 0.287 1
1 877 . 11 1 1 A 74 74 PHE C C 74 173.987 176.450 -2.463 1
1 878 . 11 1 1 A 74 74 PHE CA C 74 53.320 57.179 -3.859 1
1 879 . 11 1 1 A 74 74 PHE CB C 74 37.854 39.144 -1.290 1
1 884 . 11 1 1 A 74 74 PHE N N 74 118.853 117.632 1.221 1
1 885 . 11 1 1 A 75 75 LYS H H 75 7.245 7.965 -0.720 1
1 886 . 11 1 1 A 75 75 LYS HA H 75 4.200 4.066 0.134 1
1 895 . 11 1 1 A 75 75 LYS C C 75 173.717 176.859 -3.142 1
1 896 . 11 1 1 A 75 75 LYS CA C 75 59.003 58.434 0.569 1
1 897 . 11 1 1 A 75 75 LYS CB C 75 31.846 32.140 -0.294 1
1 901 . 11 1 1 A 75 75 LYS N N 75 121.129 118.692 2.437 1
1 902 . 11 1 1 A 76 76 LYS H H 76 7.841 7.539 0.302 1
1 903 . 11 1 1 A 76 76 LYS HA H 76 3.738 2.160 1.578 1
1 912 . 11 1 1 A 76 76 LYS C C 76 170.200 175.754 -5.554 1
1 913 . 11 1 1 A 76 76 LYS CA C 76 55.114 54.544 0.570 1
1 914 . 11 1 1 A 76 76 LYS CB C 76 32.393 31.666 0.727 1
1 918 . 11 1 1 A 76 76 LYS N N 76 114.423 117.148 -2.725 1
1 919 . 11 1 1 A 77 77 GLY H H 77 7.239 7.419 -0.180 1
1 920 . 11 1 1 A 77 77 GLY HA2 H 77 3.737 3.906 -0.169 1
1 921 . 11 1 1 A 77 77 GLY HA3 H 77 4.771 3.980 0.791 1
1 922 . 11 1 1 A 77 77 GLY C C 77 170.795 172.288 -1.493 1
1 923 . 11 1 1 A 77 77 GLY CA C 77 43.770 44.367 -0.597 1
1 924 . 11 1 1 A 77 77 GLY N N 77 103.318 106.244 -2.926 1
1 925 . 11 1 1 A 78 78 ALA H H 78 6.868 8.035 -1.167 1
1 926 . 11 1 1 A 78 78 ALA HA H 78 4.982 5.059 -0.077 1
1 930 . 11 1 1 A 78 78 ALA C C 78 171.904 175.703 -3.799 1
1 931 . 11 1 1 A 78 78 ALA CA C 78 49.907 51.316 -1.409 1
1 932 . 11 1 1 A 78 78 ALA CB C 78 22.601 23.170 -0.569 1
1 933 . 11 1 1 A 78 78 ALA N N 78 117.057 120.645 -3.588 1
1 934 . 11 1 1 A 79 79 LYS H H 79 8.765 8.843 -0.078 1
1 935 . 11 1 1 A 79 79 LYS HA H 79 4.636 4.931 -0.295 1
1 944 . 11 1 1 A 79 79 LYS C C 79 171.039 174.424 -3.385 1
1 945 . 11 1 1 A 79 79 LYS CA C 79 54.485 54.480 0.005 1
1 946 . 11 1 1 A 79 79 LYS CB C 79 35.963 36.240 -0.277 1
1 950 . 11 1 1 A 79 79 LYS N N 79 117.018 115.106 1.912 1
1 951 . 11 1 1 A 80 80 LEU H H 80 8.782 8.911 -0.129 1
1 952 . 11 1 1 A 80 80 LEU HA H 80 4.459 4.364 0.095 1
1 962 . 11 1 1 A 80 80 LEU C C 80 173.095 177.351 -4.256 1
1 963 . 11 1 1 A 80 80 LEU CA C 80 52.743 53.211 -0.468 1
1 964 . 11 1 1 A 80 80 LEU CB C 80 42.494 43.989 -1.495 1
1 968 . 11 1 1 A 80 80 LEU N N 80 122.496 123.518 -1.022 1
1 969 . 11 1 1 A 81 81 LEU H H 81 8.636 8.721 -0.085 1
1 970 . 11 1 1 A 81 81 LEU HA H 81 3.578 4.019 -0.441 1
1 980 . 11 1 1 A 81 81 LEU CA C 81 57.316 58.330 -1.014 1
1 981 . 11 1 1 A 81 81 LEU CB C 81 39.032 42.118 -3.086 1
1 985 . 11 1 1 A 81 81 LEU N N 81 125.060 124.902 0.158 1
1 986 . 11 1 1 A 82 82 HIS H H 82 8.379 7.690 0.689 1
1 987 . 11 1 1 A 82 82 HIS HA H 82 4.551 4.790 -0.239 1
1 992 . 11 1 1 A 82 82 HIS C C 82 172.635 174.040 -1.405 1
1 993 . 11 1 1 A 82 82 HIS CA C 82 55.432 55.085 0.347 1
1 994 . 11 1 1 A 82 82 HIS CB C 82 29.646 31.455 -1.809 1
1 997 . 11 1 1 A 82 82 HIS N N 82 114.387 111.104 3.283 1
1 998 . 11 1 1 A 83 83 LYS H H 83 8.023 7.500 0.523 1
1 999 . 11 1 1 A 83 83 LYS HA H 83 4.670 4.542 0.128 1
1 1008 . 11 1 1 A 83 83 LYS CA C 83 52.041 52.905 -0.864 1
1 1009 . 11 1 1 A 83 83 LYS CB C 83 32.741 33.874 -1.133 1
1 1013 . 11 1 1 A 83 83 LYS N N 83 122.886 119.336 3.550 1
1 1014 . 11 1 1 A 84 84 PRO HA H 84 4.585 4.813 -0.228 1
1 1021 . 11 1 1 A 84 84 PRO C C 84 172.797 176.363 -3.566 1
1 1022 . 11 1 1 A 84 84 PRO CA C 84 62.050 62.405 -0.355 1
1 1023 . 11 1 1 A 84 84 PRO CB C 84 32.770 32.495 0.275 1
1 1026 . 11 1 1 A 85 85 ILE H H 85 6.185 8.234 -2.049 1
1 1027 . 11 1 1 A 85 85 ILE HA H 85 5.743 5.466 0.277 1
1 1037 . 11 1 1 A 85 85 ILE C C 85 174.366 174.021 0.345 1
1 1038 . 11 1 1 A 85 85 ILE CA C 85 57.032 58.554 -1.522 1
1 1039 . 11 1 1 A 85 85 ILE CB C 85 41.265 42.344 -1.079 1
1 1043 . 11 1 1 A 85 85 ILE N N 85 107.777 116.469 -8.692 1
1 1044 . 11 1 1 A 86 86 VAL H H 86 7.552 8.720 -1.168 1
1 1045 . 11 1 1 A 86 86 VAL HA H 86 4.278 4.774 -0.496 1
1 1053 . 11 1 1 A 86 86 VAL CA C 86 59.345 58.649 0.696 1
1 1054 . 11 1 1 A 86 86 VAL CB C 86 34.990 36.044 -1.054 1
1 1057 . 11 1 1 A 86 86 VAL N N 86 109.584 114.799 -5.215 1
1 1058 . 11 1 1 A 87 87 TRP H H 87 10.036 8.856 1.180 1
1 1059 . 11 1 1 A 87 87 TRP HA H 87 6.158 5.561 0.597 1
1 1068 . 11 1 1 A 87 87 TRP C C 87 174.393 176.451 -2.058 1
1 1069 . 11 1 1 A 87 87 TRP CA C 87 55.238 56.093 -0.855 1
1 1070 . 11 1 1 A 87 87 TRP CB C 87 32.786 30.681 2.105 1
1 1076 . 11 1 1 A 87 87 TRP N N 87 122.256 123.007 -0.751 1
1 1078 . 11 1 1 A 88 88 HIS H H 88 8.802 9.095 -0.293 1
1 1079 . 11 1 1 A 88 88 HIS HA H 88 5.383 5.746 -0.363 1
1 1085 . 11 1 1 A 88 88 HIS CA C 88 53.902 53.416 0.486 1
1 1086 . 11 1 1 A 88 88 HIS CB C 88 37.553 33.017 4.536 1
1 1089 . 11 1 1 A 88 88 HIS N N 88 116.636 118.388 -1.752 1
1 1090 . 11 1 1 A 89 89 ILE H H 89 9.197 8.407 0.790 1
1 1091 . 11 1 1 A 89 89 ILE HA H 89 4.022 4.388 -0.366 1
1 1101 . 11 1 1 A 89 89 ILE C C 89 174.582 176.260 -1.678 1
1 1102 . 11 1 1 A 89 89 ILE CA C 89 61.042 60.396 0.646 1
1 1103 . 11 1 1 A 89 89 ILE CB C 89 40.176 40.173 0.003 1
1 1107 . 11 1 1 A 89 89 ILE N N 89 118.669 120.397 -1.728 1
1 1108 . 11 1 1 A 90 90 ASN H H 90 9.688 9.075 0.613 1
1 1109 . 11 1 1 A 90 90 ASN HA H 90 4.281 4.429 -0.148 1
1 1114 . 11 1 1 A 90 90 ASN C C 90 171.418 174.115 -2.697 1
1 1115 . 11 1 1 A 90 90 ASN CA C 90 53.724 53.913 -0.189 1
1 1116 . 11 1 1 A 90 90 ASN CB C 90 36.919 36.125 0.794 1
1 1117 . 11 1 1 A 90 90 ASN N N 90 128.710 126.023 2.687 1
1 1119 . 11 1 1 A 91 91 GLN H H 91 10.928 7.889 3.039 1
1 1120 . 11 1 1 A 91 91 GLN HA H 91 2.586 3.203 -0.617 1
1 1127 . 11 1 1 A 91 91 GLN C C 91 170.146 174.172 -4.026 1
1 1128 . 11 1 1 A 91 91 GLN CA C 91 55.444 56.997 -1.553 1
1 1129 . 11 1 1 A 91 91 GLN CB C 91 23.948 26.854 -2.906 1
1 1131 . 11 1 1 A 91 91 GLN N N 91 112.871 111.659 1.212 1
1 1133 . 11 1 1 A 92 92 ALA H H 92 7.692 7.653 0.039 1
1 1134 . 11 1 1 A 92 92 ALA HA H 92 4.979 5.180 -0.201 1
1 1138 . 11 1 1 A 92 92 ALA C C 92 174.068 175.196 -1.128 1
1 1139 . 11 1 1 A 92 92 ALA CA C 92 49.792 50.764 -0.972 1
1 1140 . 11 1 1 A 92 92 ALA CB C 92 21.832 23.582 -1.750 1
1 1141 . 11 1 1 A 92 92 ALA N N 92 118.287 119.132 -0.845 1
1 1142 . 11 1 1 A 93 93 THR H H 93 9.026 8.995 0.031 1
1 1143 . 11 1 1 A 93 93 THR HA H 93 5.281 5.381 -0.100 1
1 1148 . 11 1 1 A 93 93 THR C C 93 170.768 173.514 -2.746 1
1 1149 . 11 1 1 A 93 93 THR CA C 93 58.597 60.262 -1.665 1
1 1150 . 11 1 1 A 93 93 THR CB C 93 70.855 71.812 -0.957 1
1 1152 . 11 1 1 A 93 93 THR N N 93 114.894 114.321 0.573 1
1 1153 . 11 1 1 A 94 94 THR H H 94 8.292 8.527 -0.235 1
1 1154 . 11 1 1 A 94 94 THR HA H 94 4.903 4.904 -0.001 1
1 1159 . 11 1 1 A 94 94 THR CA C 94 58.800 59.270 -0.470 1
1 1160 . 11 1 1 A 94 94 THR CB C 94 71.488 72.554 -1.066 1
1 1162 . 11 1 1 A 94 94 THR N N 94 119.907 117.012 2.895 1
1 1163 . 11 1 1 A 95 95 LYS HA H 95 4.056 4.226 -0.170 1
1 1172 . 11 1 1 A 95 95 LYS CA C 95 59.376 60.351 -0.975 1
1 1173 . 11 1 1 A 95 95 LYS CB C 95 31.083 32.165 -1.082 1
1 1177 . 11 1 1 A 96 96 THR H H 96 7.773 8.064 -0.291 1
1 1178 . 11 1 1 A 96 96 THR HA H 96 3.798 4.047 -0.249 1
1 1183 . 11 1 1 A 96 96 THR C C 96 171.850 176.426 -4.576 1
1 1184 . 11 1 1 A 96 96 THR CA C 96 64.506 66.707 -2.201 1
1 1185 . 11 1 1 A 96 96 THR CB C 96 68.405 68.834 -0.429 1
1 1187 . 11 1 1 A 96 96 THR N N 96 113.841 116.449 -2.608 1
1 1188 . 11 1 1 A 97 97 THR H H 97 6.795 7.788 -0.993 1
1 1189 . 11 1 1 A 97 97 THR HA H 97 3.604 4.497 -0.893 1
1 1194 . 11 1 1 A 97 97 THR C C 97 171.959 176.440 -4.481 1
1 1195 . 11 1 1 A 97 97 THR CA C 97 61.209 63.807 -2.598 1
1 1196 . 11 1 1 A 97 97 THR CB C 97 67.962 69.270 -1.308 1
1 1198 . 11 1 1 A 97 97 THR N N 97 105.731 110.966 -5.235 1
1 1199 . 11 1 1 A 98 98 PHE H H 98 7.410 8.409 -0.999 1
1 1200 . 11 1 1 A 98 98 PHE HA H 98 4.220 4.049 0.171 1
1 1207 . 11 1 1 A 98 98 PHE C C 98 174.528 177.288 -2.760 1
1 1208 . 11 1 1 A 98 98 PHE CA C 98 61.879 61.763 0.116 1
1 1209 . 11 1 1 A 98 98 PHE CB C 98 38.875 39.293 -0.418 1
1 1214 . 11 1 1 A 98 98 PHE N N 98 126.402 123.616 2.786 1
1 1215 . 11 1 1 A 99 99 LYS H H 99 9.459 7.323 2.136 1
1 1216 . 11 1 1 A 99 99 LYS HA H 99 4.089 3.285 0.804 1
1 1225 . 11 1 1 A 99 99 LYS CA C 99 60.763 60.995 -0.232 1
1 1226 . 11 1 1 A 99 99 LYS CB C 99 28.635 30.885 -2.250 1
1 1230 . 11 1 1 A 99 99 LYS N N 99 121.490 117.584 3.906 1
1 1231 . 11 1 1 A 100 100 PRO HA H 100 4.922 4.569 0.353 1
1 1238 . 11 1 1 A 100 100 PRO C C 100 177.314 178.925 -1.611 1
1 1239 . 11 1 1 A 100 100 PRO CA C 100 66.173 65.369 0.804 1
1 1240 . 11 1 1 A 100 100 PRO CB C 100 31.535 30.948 0.587 1
1 1243 . 11 1 1 A 101 101 ASN H H 101 8.530 8.588 -0.058 1
1 1244 . 11 1 1 A 101 101 ASN HA H 101 5.244 4.459 0.785 1
1 1249 . 11 1 1 A 101 101 ASN C C 101 175.204 177.820 -2.616 1
1 1250 . 11 1 1 A 101 101 ASN CA C 101 54.555 55.628 -1.073 1
1 1251 . 11 1 1 A 101 101 ASN CB C 101 36.187 38.480 -2.293 1
1 1252 . 11 1 1 A 101 101 ASN N N 101 115.238 115.572 -0.334 1
1 1254 . 11 1 1 A 102 102 THR H H 102 8.488 8.412 0.076 1
1 1255 . 11 1 1 A 102 102 THR HA H 102 4.184 3.993 0.191 1
1 1260 . 11 1 1 A 102 102 THR C C 102 171.472 176.450 -4.978 1
1 1261 . 11 1 1 A 102 102 THR CA C 102 67.543 65.144 2.399 1
1 1262 . 11 1 1 A 102 102 THR CB C 102 67.001 68.716 -1.715 1
1 1264 . 11 1 1 A 102 102 THR N N 102 120.254 116.264 3.990 1
1 1265 . 11 1 1 A 103 103 TRP H H 103 7.283 7.400 -0.117 1
1 1266 . 11 1 1 A 103 103 TRP HA H 103 3.986 4.294 -0.308 1
1 1275 . 11 1 1 A 103 103 TRP C C 103 175.800 178.146 -2.346 1
1 1276 . 11 1 1 A 103 103 TRP CA C 103 60.856 59.749 1.107 1
1 1277 . 11 1 1 A 103 103 TRP CB C 103 27.948 28.520 -0.572 1
1 1283 . 11 1 1 A 103 103 TRP N N 103 121.763 120.504 1.259 1
1 1285 . 11 1 1 A 104 104 CYS H H 104 8.233 7.987 0.246 1
1 1286 . 11 1 1 A 104 104 CYS HA H 104 4.272 4.089 0.183 1
1 1289 . 11 1 1 A 104 104 CYS C C 104 176.259 176.991 -0.732 1
1 1290 . 11 1 1 A 104 104 CYS CA C 104 65.226 62.443 2.783 1
1 1291 . 11 1 1 A 104 104 CYS CB C 104 26.949 26.847 0.102 1
1 1292 . 11 1 1 A 104 104 CYS N N 104 118.046 119.065 -1.019 1
1 1293 . 11 1 1 A 105 105 LEU H H 105 8.726 8.049 0.677 1
1 1294 . 11 1 1 A 105 105 LEU HA H 105 4.000 3.974 0.026 1
1 1304 . 11 1 1 A 105 105 LEU C C 105 176.205 178.820 -2.615 1
1 1305 . 11 1 1 A 105 105 LEU CA C 105 57.810 57.952 -0.142 1
1 1306 . 11 1 1 A 105 105 LEU CB C 105 40.484 41.432 -0.948 1
1 1310 . 11 1 1 A 105 105 LEU N N 105 120.557 121.262 -0.705 1
1 1311 . 11 1 1 A 106 106 ARG H H 106 6.990 7.894 -0.904 1
1 1312 . 11 1 1 A 106 106 ARG HA H 106 2.054 2.649 -0.595 1
1 1319 . 11 1 1 A 106 106 ARG C C 106 177.179 177.225 -0.046 1
1 1320 . 11 1 1 A 106 106 ARG CA C 106 57.405 57.902 -0.497 1
1 1321 . 11 1 1 A 106 106 ARG CB C 106 29.269 29.530 -0.261 1
1 1324 . 11 1 1 A 106 106 ARG N N 106 118.050 117.718 0.332 1
1 1325 . 11 1 1 A 107 107 CYS H H 107 7.623 7.789 -0.166 1
1 1326 . 11 1 1 A 107 107 CYS HA H 107 4.031 4.332 -0.301 1
1 1329 . 11 1 1 A 107 107 CYS C C 107 172.337 175.394 -3.057 1
1 1330 . 11 1 1 A 107 107 CYS CA C 107 63.291 60.556 2.735 1
1 1331 . 11 1 1 A 107 107 CYS CB C 107 26.214 27.367 -1.153 1
1 1332 . 11 1 1 A 107 107 CYS N N 107 117.028 118.469 -1.441 1
1 1333 . 11 1 1 A 108 108 LEU H H 108 7.484 7.490 -0.006 1
1 1334 . 11 1 1 A 108 108 LEU HA H 108 4.159 4.236 -0.077 1
1 1344 . 11 1 1 A 108 108 LEU C C 108 174.582 177.210 -2.628 1
1 1345 . 11 1 1 A 108 108 LEU CA C 108 54.203 54.595 -0.392 1
1 1346 . 11 1 1 A 108 108 LEU CB C 108 41.621 42.425 -0.804 1
1 1350 . 11 1 1 A 108 108 LEU N N 108 117.680 118.025 -0.345 1
1 1351 . 11 1 1 A 109 109 TRP H H 109 7.427 7.484 -0.057 1
1 1352 . 11 1 1 A 109 109 TRP HA H 109 4.828 4.967 -0.139 1
1 1361 . 11 1 1 A 109 109 TRP C C 109 173.176 176.389 -3.213 1
1 1362 . 11 1 1 A 109 109 TRP CA C 109 56.353 58.486 -2.133 1
1 1363 . 11 1 1 A 109 109 TRP CB C 109 29.743 30.354 -0.611 1
1 1369 . 11 1 1 A 109 109 TRP N N 109 119.087 121.025 -1.938 1
1 1371 . 11 1 1 A 110 110 SER H H 110 8.199 8.452 -0.253 1
1 1372 . 11 1 1 A 110 110 SER HA H 110 4.688 4.615 0.073 1
1 1375 . 11 1 1 A 110 110 SER C C 110 171.769 174.159 -2.390 1
1 1376 . 11 1 1 A 110 110 SER CA C 110 56.324 58.450 -2.126 1
1 1377 . 11 1 1 A 110 110 SER CB C 110 64.513 64.204 0.309 1
1 1378 . 11 1 1 A 110 110 SER N N 110 115.602 119.301 -3.699 1
1 1379 . 11 1 1 A 111 111 THR H H 111 8.268 8.511 -0.243 1
1 1380 . 11 1 1 A 111 111 THR HA H 111 4.425 4.684 -0.259 1
1 1385 . 11 1 1 A 111 111 THR C C 111 171.526 173.939 -2.413 1
1 1386 . 11 1 1 A 111 111 THR CA C 111 60.861 60.755 0.106 1
1 1387 . 11 1 1 A 111 111 THR CB C 111 69.202 70.799 -1.597 1
1 1389 . 11 1 1 A 111 111 THR N N 111 114.394 115.222 -0.828 1
1 1390 . 11 1 1 A 112 112 LYS H H 112 8.240 8.921 -0.681 1
1 1391 . 11 1 1 A 112 112 LYS HA H 112 4.530 4.174 0.356 1
1 1400 . 11 1 1 A 112 112 LYS CA C 112 53.768 57.096 -3.328 1
1 1401 . 11 1 1 A 112 112 LYS CB C 112 32.067 31.347 0.720 1
1 1405 . 11 1 1 A 112 112 LYS N N 112 125.207 121.115 4.092 1
1 1406 . 11 1 1 A 113 113 PRO HA H 113 4.380 4.484 -0.104 1
1 1413 . 11 1 1 A 113 113 PRO C C 113 174.095 175.885 -1.790 1
1 1414 . 11 1 1 A 113 113 PRO CA C 113 62.381 62.856 -0.475 1
1 1415 . 11 1 1 A 113 113 PRO CB C 113 31.408 31.736 -0.328 1
1 1418 . 11 1 1 A 114 114 VAL H H 114 8.195 8.585 -0.390 1
1 1419 . 11 1 1 A 114 114 VAL HA H 114 4.029 4.311 -0.282 1
1 1427 . 11 1 1 A 114 114 VAL C C 114 173.122 175.654 -2.532 1
1 1428 . 11 1 1 A 114 114 VAL CA C 114 61.335 61.029 0.306 1
1 1429 . 11 1 1 A 114 114 VAL CB C 114 32.153 33.322 -1.169 1
1 1432 . 11 1 1 A 114 114 VAL N N 114 120.113 123.416 -3.303 1
1 1433 . 11 1 1 A 115 115 ASP H H 115 8.345 8.077 0.268 1
1 1434 . 11 1 1 A 115 115 ASP HA H 115 4.592 4.128 0.464 1
1 1437 . 11 1 1 A 115 115 ASP C C 115 172.608 176.074 -3.466 1
1 1438 . 11 1 1 A 115 115 ASP CA C 115 53.202 57.281 -4.079 1
1 1439 . 11 1 1 A 115 115 ASP CB C 115 40.552 41.390 -0.838 1
1 1440 . 11 1 1 A 115 115 ASP N N 115 123.853 124.045 -0.192 1
1 1 . 12 1 1 A 2 2 TYR HA H 2 4.617 4.618 -0.001 1
1 7 . 12 1 1 A 2 2 TYR C C 2 172.716 175.818 -3.102 1
1 8 . 12 1 1 A 2 2 TYR CA C 2 56.943 59.037 -2.094 1
1 9 . 12 1 1 A 2 2 TYR CB C 2 38.050 39.094 -1.044 1
1 14 . 12 1 1 A 2 2 TYR N N 2 121.461 118.921 2.540 1
1 15 . 12 1 1 A 3 3 THR H H 3 7.984 8.778 -0.794 1
1 16 . 12 1 1 A 3 3 THR HA H 3 4.684 4.794 -0.110 1
1 21 . 12 1 1 A 3 3 THR C C 3 170.931 173.658 -2.727 1
1 22 . 12 1 1 A 3 3 THR CA C 3 60.870 60.815 0.055 1
1 23 . 12 1 1 A 3 3 THR CB C 3 69.270 69.581 -0.311 1
1 25 . 12 1 1 A 3 3 THR N N 3 117.624 117.523 0.101 1
1 26 . 12 1 1 A 4 4 GLU H H 4 8.290 7.755 0.535 1
1 27 . 12 1 1 A 4 4 GLU HA H 4 4.183 4.453 -0.270 1
1 32 . 12 1 1 A 4 4 GLU C C 4 173.013 176.283 -3.270 1
1 33 . 12 1 1 A 4 4 GLU CA C 4 55.876 56.845 -0.969 1
1 34 . 12 1 1 A 4 4 GLU CB C 4 29.779 29.699 0.080 1
1 36 . 12 1 1 A 4 4 GLU N N 4 123.377 121.346 2.031 1
1 37 . 12 1 1 A 5 5 GLN H H 5 8.329 8.618 -0.289 1
1 38 . 12 1 1 A 5 5 GLN HA H 5 4.392 4.533 -0.141 1
1 43 . 12 1 1 A 5 5 GLN CA C 5 52.634 54.122 -1.488 1
1 44 . 12 1 1 A 5 5 GLN CB C 5 28.759 28.197 0.562 1
1 46 . 12 1 1 A 5 5 GLN N N 5 122.599 123.130 -0.531 1
1 47 . 12 1 1 A 6 6 PRO HA H 6 4.323 4.125 0.198 1
1 54 . 12 1 1 A 6 6 PRO C C 6 173.636 176.327 -2.691 1
1 55 . 12 1 1 A 6 6 PRO CA C 6 62.080 62.328 -0.248 1
1 56 . 12 1 1 A 6 6 PRO CB C 6 30.785 31.652 -0.867 1
1 59 . 12 1 1 A 7 7 ILE H H 7 8.160 8.286 -0.126 1
1 60 . 12 1 1 A 7 7 ILE HA H 7 3.871 3.837 0.034 1
1 70 . 12 1 1 A 7 7 ILE C C 7 172.770 176.299 -3.529 1
1 71 . 12 1 1 A 7 7 ILE CA C 7 60.589 60.890 -0.301 1
1 72 . 12 1 1 A 7 7 ILE CB C 7 38.318 37.036 1.282 1
1 76 . 12 1 1 A 7 7 ILE N N 7 121.913 121.971 -0.058 1
1 77 . 12 1 1 A 8 8 ASP H H 8 8.126 8.486 -0.360 1
1 78 . 12 1 1 A 8 8 ASP HA H 8 4.584 4.035 0.549 1
1 81 . 12 1 1 A 8 8 ASP C C 8 171.742 175.187 -3.445 1
1 82 . 12 1 1 A 8 8 ASP CA C 8 53.265 55.175 -1.910 1
1 83 . 12 1 1 A 8 8 ASP CB C 8 39.521 39.915 -0.394 1
1 84 . 12 1 1 A 8 8 ASP N N 8 124.858 126.289 -1.431 1
1 85 . 12 1 1 A 9 9 LEU H H 9 7.374 7.999 -0.625 1
1 86 . 12 1 1 A 9 9 LEU HA H 9 4.506 4.116 0.390 1
1 96 . 12 1 1 A 9 9 LEU C C 9 174.041 176.082 -2.041 1
1 97 . 12 1 1 A 9 9 LEU CA C 9 53.779 55.569 -1.790 1
1 98 . 12 1 1 A 9 9 LEU CB C 9 43.411 42.196 1.215 1
1 102 . 12 1 1 A 9 9 LEU N N 9 122.151 120.078 2.073 1
1 103 . 12 1 1 A 10 10 VAL H H 10 8.827 8.236 0.591 1
1 104 . 12 1 1 A 10 10 VAL HA H 10 4.841 4.841 0.000 1
1 112 . 12 1 1 A 10 10 VAL CA C 10 57.706 58.466 -0.760 1
1 113 . 12 1 1 A 10 10 VAL CB C 10 33.895 35.142 -1.247 1
1 116 . 12 1 1 A 10 10 VAL N N 10 120.738 118.294 2.444 1
1 117 . 12 1 1 A 11 11 PRO HA H 11 4.766 5.003 -0.237 1
1 124 . 12 1 1 A 11 11 PRO C C 11 173.149 175.145 -1.996 1
1 125 . 12 1 1 A 11 11 PRO CA C 11 62.417 62.905 -0.488 1
1 126 . 12 1 1 A 11 11 PRO CB C 11 32.119 33.290 -1.171 1
1 129 . 12 1 1 A 12 12 THR H H 12 7.408 8.513 -1.105 1
1 130 . 12 1 1 A 12 12 THR HA H 12 4.280 4.808 -0.528 1
1 135 . 12 1 1 A 12 12 THR C C 12 166.981 172.128 -5.147 1
1 136 . 12 1 1 A 12 12 THR CA C 12 59.142 60.106 -0.964 1
1 137 . 12 1 1 A 12 12 THR CB C 12 68.812 70.038 -1.226 1
1 139 . 12 1 1 A 12 12 THR N N 12 115.177 116.183 -1.006 1
1 140 . 12 1 1 A 13 13 GLN H H 13 7.953 8.646 -0.693 1
1 141 . 12 1 1 A 13 13 GLN HA H 13 5.073 4.856 0.217 1
1 146 . 12 1 1 A 13 13 GLN CA C 13 52.836 52.654 0.182 1
1 147 . 12 1 1 A 13 13 GLN CB C 13 28.566 31.776 -3.210 1
1 149 . 12 1 1 A 13 13 GLN N N 13 113.324 120.816 -7.492 1
1 150 . 12 1 1 A 14 14 PRO HA H 14 4.340 4.529 -0.189 1
1 157 . 12 1 1 A 14 14 PRO C C 14 173.392 176.613 -3.221 1
1 158 . 12 1 1 A 14 14 PRO CA C 14 62.498 62.462 0.036 1
1 159 . 12 1 1 A 14 14 PRO CB C 14 31.565 32.252 -0.687 1
1 162 . 12 1 1 A 15 15 LEU H H 15 8.764 8.416 0.348 1
1 163 . 12 1 1 A 15 15 LEU HA H 15 4.511 4.551 -0.040 1
1 173 . 12 1 1 A 15 15 LEU CA C 15 52.597 53.490 -0.893 1
1 174 . 12 1 1 A 15 15 LEU CB C 15 40.769 41.668 -0.899 1
1 178 . 12 1 1 A 15 15 LEU N N 15 124.665 123.519 1.146 1
1 179 . 12 1 1 A 16 16 PRO HA H 16 4.325 4.638 -0.313 1
1 186 . 12 1 1 A 16 16 PRO CA C 16 63.358 63.249 0.109 1
1 187 . 12 1 1 A 16 16 PRO CB C 16 31.187 32.226 -1.039 1
1 190 . 12 1 1 A 17 17 ASN H H 17 8.682 8.993 -0.311 1
1 191 . 12 1 1 A 17 17 ASN HA H 17 4.586 4.367 0.219 1
1 196 . 12 1 1 A 17 17 ASN C C 17 174.691 174.634 0.057 1
1 197 . 12 1 1 A 17 17 ASN CA C 17 52.745 55.140 -2.395 1
1 198 . 12 1 1 A 17 17 ASN CB C 17 36.762 37.120 -0.358 1
1 199 . 12 1 1 A 17 17 ASN N N 17 114.315 115.195 -0.880 1
1 201 . 12 1 1 A 18 18 ALA H H 18 7.283 7.941 -0.658 1
1 202 . 12 1 1 A 18 18 ALA HA H 18 4.569 4.662 -0.093 1
1 206 . 12 1 1 A 18 18 ALA C C 18 174.041 176.424 -2.383 1
1 207 . 12 1 1 A 18 18 ALA CA C 18 51.618 52.914 -1.296 1
1 208 . 12 1 1 A 18 18 ALA CB C 18 20.698 19.967 0.731 1
1 209 . 12 1 1 A 18 18 ALA N N 18 121.620 123.175 -1.555 1
1 210 . 12 1 1 A 19 19 SER H H 19 8.744 8.935 -0.191 1
1 211 . 12 1 1 A 19 19 SER HA H 19 4.479 4.721 -0.242 1
1 214 . 12 1 1 A 19 19 SER C C 19 169.984 172.625 -2.641 1
1 215 . 12 1 1 A 19 19 SER CA C 19 56.634 57.617 -0.983 1
1 216 . 12 1 1 A 19 19 SER CB C 19 65.044 66.560 -1.516 1
1 217 . 12 1 1 A 19 19 SER N N 19 113.995 116.261 -2.266 1
1 218 . 12 1 1 A 20 20 PHE H H 20 7.753 8.055 -0.302 1
1 219 . 12 1 1 A 20 20 PHE HA H 20 3.514 3.923 -0.409 1
1 226 . 12 1 1 A 20 20 PHE C C 20 172.635 174.030 -1.395 1
1 227 . 12 1 1 A 20 20 PHE CA C 20 58.070 58.957 -0.887 1
1 228 . 12 1 1 A 20 20 PHE CB C 20 37.588 39.141 -1.553 1
1 233 . 12 1 1 A 20 20 PHE N N 20 124.690 126.414 -1.724 1
1 234 . 12 1 1 A 21 21 ASP H H 21 8.288 7.962 0.326 1
1 235 . 12 1 1 A 21 21 ASP HA H 21 4.351 4.710 -0.359 1
1 238 . 12 1 1 A 21 21 ASP CA C 21 51.826 52.274 -0.448 1
1 239 . 12 1 1 A 21 21 ASP CB C 21 38.598 44.121 -5.523 1
1 240 . 12 1 1 A 21 21 ASP N N 21 127.080 125.552 1.528 1
1 241 . 12 1 1 A 22 22 ASN HA H 22 3.766 4.642 -0.876 1
1 246 . 12 1 1 A 22 22 ASN C C 22 171.688 175.337 -3.649 1
1 247 . 12 1 1 A 22 22 ASN CA C 22 54.954 54.006 0.948 1
1 248 . 12 1 1 A 22 22 ASN CB C 22 37.641 38.249 -0.608 1
1 250 . 12 1 1 A 23 23 PHE H H 23 5.484 7.286 -1.802 1
1 251 . 12 1 1 A 23 23 PHE HA H 23 4.804 4.390 0.414 1
1 259 . 12 1 1 A 23 23 PHE C C 23 169.768 174.617 -4.849 1
1 260 . 12 1 1 A 23 23 PHE CA C 23 54.649 57.183 -2.534 1
1 261 . 12 1 1 A 23 23 PHE CB C 23 39.850 39.640 0.210 1
1 267 . 12 1 1 A 23 23 PHE N N 23 112.858 117.780 -4.922 1
1 268 . 12 1 1 A 24 24 LYS H H 24 8.329 8.363 -0.034 1
1 269 . 12 1 1 A 24 24 LYS HA H 24 3.719 4.824 -1.105 1
1 278 . 12 1 1 A 24 24 LYS C C 24 171.959 174.902 -2.943 1
1 279 . 12 1 1 A 24 24 LYS CA C 24 53.756 54.014 -0.258 1
1 280 . 12 1 1 A 24 24 LYS CB C 24 36.279 35.463 0.816 1
1 284 . 12 1 1 A 24 24 LYS N N 24 119.724 120.742 -1.018 1
1 285 . 12 1 1 A 25 25 LEU H H 25 9.144 8.433 0.711 1
1 286 . 12 1 1 A 25 25 LEU HA H 25 5.462 5.199 0.263 1
1 296 . 12 1 1 A 25 25 LEU C C 25 174.609 175.874 -1.265 1
1 297 . 12 1 1 A 25 25 LEU CA C 25 53.208 52.873 0.335 1
1 298 . 12 1 1 A 25 25 LEU CB C 25 41.419 44.704 -3.285 1
1 302 . 12 1 1 A 25 25 LEU N N 25 126.849 120.274 6.575 1
1 303 . 12 1 1 A 26 26 THR H H 26 8.956 8.828 0.128 1
1 304 . 12 1 1 A 26 26 THR HA H 26 4.471 5.359 -0.888 1
1 309 . 12 1 1 A 26 26 THR C C 26 169.524 173.306 -3.782 1
1 310 . 12 1 1 A 26 26 THR CA C 26 58.769 59.779 -1.010 1
1 311 . 12 1 1 A 26 26 THR CB C 26 69.971 71.768 -1.797 1
1 313 . 12 1 1 A 26 26 THR N N 26 113.907 112.946 0.961 1
1 314 . 12 1 1 A 27 27 CYS H H 27 8.507 8.596 -0.089 1
1 315 . 12 1 1 A 27 27 CYS HA H 27 4.509 4.705 -0.196 1
1 318 . 12 1 1 A 27 27 CYS C C 27 169.984 175.097 -5.113 1
1 319 . 12 1 1 A 27 27 CYS CA C 27 57.948 57.055 0.893 1
1 320 . 12 1 1 A 27 27 CYS CB C 27 29.529 30.045 -0.516 1
1 321 . 12 1 1 A 27 27 CYS N N 27 120.842 118.725 2.117 1
1 322 . 12 1 1 A 28 28 SER H H 28 9.044 8.723 0.321 1
1 323 . 12 1 1 A 28 28 SER HA H 28 4.140 4.292 -0.152 1
1 326 . 12 1 1 A 28 28 SER C C 28 172.716 174.590 -1.874 1
1 327 . 12 1 1 A 28 28 SER CA C 28 60.986 61.585 -0.599 1
1 328 . 12 1 1 A 28 28 SER CB C 28 61.437 62.843 -1.406 1
1 329 . 12 1 1 A 28 28 SER N N 28 124.898 115.571 9.327 1
1 330 . 12 1 1 A 29 29 ASN H H 29 7.825 7.754 0.071 1
1 331 . 12 1 1 A 29 29 ASN HA H 29 4.951 4.838 0.113 1
1 336 . 12 1 1 A 29 29 ASN C C 29 171.688 176.082 -4.394 1
1 337 . 12 1 1 A 29 29 ASN CA C 29 52.155 52.741 -0.586 1
1 338 . 12 1 1 A 29 29 ASN CB C 29 36.980 38.991 -2.011 1
1 339 . 12 1 1 A 29 29 ASN N N 29 121.001 119.435 1.566 1
1 341 . 12 1 1 A 30 30 THR H H 30 8.062 8.776 -0.714 1
1 342 . 12 1 1 A 30 30 THR HA H 30 3.901 4.018 -0.117 1
1 347 . 12 1 1 A 30 30 THR C C 30 173.338 176.613 -3.275 1
1 348 . 12 1 1 A 30 30 THR CA C 30 64.874 65.667 -0.793 1
1 349 . 12 1 1 A 30 30 THR CB C 30 67.715 68.325 -0.610 1
1 351 . 12 1 1 A 30 30 THR N N 30 119.799 119.020 0.779 1
1 352 . 12 1 1 A 31 31 LYS H H 31 8.015 8.067 -0.052 1
1 353 . 12 1 1 A 31 31 LYS HA H 31 4.119 4.036 0.083 1
1 362 . 12 1 1 A 31 31 LYS C C 31 174.231 178.924 -4.693 1
1 363 . 12 1 1 A 31 31 LYS CA C 31 58.286 58.881 -0.595 1
1 364 . 12 1 1 A 31 31 LYS CB C 31 31.547 32.019 -0.472 1
1 368 . 12 1 1 A 31 31 LYS N N 31 122.845 121.946 0.899 1
1 369 . 12 1 1 A 32 32 PHE H H 32 7.739 8.243 -0.504 1
1 370 . 12 1 1 A 32 32 PHE HA H 32 4.652 4.265 0.387 1
1 378 . 12 1 1 A 32 32 PHE C C 32 174.691 177.219 -2.528 1
1 379 . 12 1 1 A 32 32 PHE CA C 32 59.954 61.847 -1.893 1
1 380 . 12 1 1 A 32 32 PHE CB C 32 38.444 39.508 -1.064 1
1 386 . 12 1 1 A 32 32 PHE N N 32 120.100 121.039 -0.939 1
1 387 . 12 1 1 A 33 33 ALA H H 33 6.955 8.113 -1.158 1
1 388 . 12 1 1 A 33 33 ALA HA H 33 3.555 4.028 -0.473 1
1 392 . 12 1 1 A 33 33 ALA C C 33 175.502 179.492 -3.990 1
1 393 . 12 1 1 A 33 33 ALA CA C 33 54.703 54.988 -0.285 1
1 394 . 12 1 1 A 33 33 ALA CB C 33 17.085 18.292 -1.207 1
1 395 . 12 1 1 A 33 33 ALA N N 33 116.140 120.909 -4.769 1
1 396 . 12 1 1 A 34 34 ASP H H 34 8.795 8.202 0.593 1
1 397 . 12 1 1 A 34 34 ASP HA H 34 4.367 4.375 -0.008 1
1 400 . 12 1 1 A 34 34 ASP C C 34 176.854 178.351 -1.497 1
1 401 . 12 1 1 A 34 34 ASP CA C 34 56.911 57.544 -0.633 1
1 402 . 12 1 1 A 34 34 ASP CB C 34 39.495 41.278 -1.783 1
1 403 . 12 1 1 A 34 34 ASP N N 34 118.170 118.761 -0.591 1
1 404 . 12 1 1 A 35 35 ASP H H 35 8.791 8.614 0.177 1
1 405 . 12 1 1 A 35 35 ASP HA H 35 4.360 4.457 -0.097 1
1 408 . 12 1 1 A 35 35 ASP C C 35 177.233 179.102 -1.869 1
1 409 . 12 1 1 A 35 35 ASP CA C 35 56.890 57.446 -0.556 1
1 410 . 12 1 1 A 35 35 ASP CB C 35 39.291 40.885 -1.594 1
1 411 . 12 1 1 A 35 35 ASP N N 35 121.921 119.817 2.104 1
1 412 . 12 1 1 A 36 36 LEU H H 36 7.792 8.250 -0.458 1
1 413 . 12 1 1 A 36 36 LEU HA H 36 4.162 3.918 0.244 1
1 423 . 12 1 1 A 36 36 LEU C C 36 176.097 179.367 -3.270 1
1 424 . 12 1 1 A 36 36 LEU CA C 36 57.508 57.988 -0.480 1
1 425 . 12 1 1 A 36 36 LEU CB C 36 41.523 41.364 0.159 1
1 429 . 12 1 1 A 36 36 LEU N N 36 121.822 120.276 1.546 1
1 430 . 12 1 1 A 37 37 ASN H H 37 9.015 8.450 0.565 1
1 431 . 12 1 1 A 37 37 ASN HA H 37 4.733 4.543 0.190 1
1 436 . 12 1 1 A 37 37 ASN C C 37 176.232 178.416 -2.184 1
1 437 . 12 1 1 A 37 37 ASN CA C 37 54.288 56.609 -2.321 1
1 438 . 12 1 1 A 37 37 ASN CB C 37 37.337 37.870 -0.533 1
1 439 . 12 1 1 A 37 37 ASN N N 37 116.904 118.353 -1.449 1
1 441 . 12 1 1 A 38 38 GLN H H 38 8.218 8.055 0.163 1
1 442 . 12 1 1 A 38 38 GLN HA H 38 4.074 4.052 0.022 1
1 447 . 12 1 1 A 38 38 GLN C C 38 175.773 179.244 -3.471 1
1 448 . 12 1 1 A 38 38 GLN CA C 38 58.134 59.244 -1.110 1
1 449 . 12 1 1 A 38 38 GLN CB C 38 27.676 28.540 -0.864 1
1 451 . 12 1 1 A 38 38 GLN N N 38 121.443 118.658 2.785 1
1 452 . 12 1 1 A 39 39 MET H H 39 7.487 8.126 -0.639 1
1 453 . 12 1 1 A 39 39 MET HA H 39 3.967 4.254 -0.287 1
1 461 . 12 1 1 A 39 39 MET C C 39 176.259 176.731 -0.472 1
1 462 . 12 1 1 A 39 39 MET CA C 39 58.374 57.898 0.476 1
1 463 . 12 1 1 A 39 39 MET CB C 39 33.000 32.672 0.328 1
1 466 . 12 1 1 A 39 39 MET N N 39 118.793 119.152 -0.359 1
1 467 . 12 1 1 A 40 40 THR H H 40 7.873 7.813 0.060 1
1 468 . 12 1 1 A 40 40 THR HA H 40 3.769 4.379 -0.610 1
1 473 . 12 1 1 A 40 40 THR C C 40 173.906 174.470 -0.564 1
1 474 . 12 1 1 A 40 40 THR CA C 40 61.739 62.229 -0.490 1
1 475 . 12 1 1 A 40 40 THR CB C 40 68.427 69.664 -1.237 1
1 477 . 12 1 1 A 40 40 THR N N 40 108.945 111.301 -2.356 1
1 478 . 12 1 1 A 41 41 GLY H H 41 7.199 7.865 -0.666 1
1 479 . 12 1 1 A 41 41 GLY HA2 H 41 3.899 3.777 0.122 1
1 480 . 12 1 1 A 41 41 GLY HA3 H 41 3.662 3.828 -0.166 1
1 481 . 12 1 1 A 41 41 GLY C C 41 171.661 174.689 -3.028 1
1 482 . 12 1 1 A 41 41 GLY CA C 41 44.926 45.692 -0.766 1
1 483 . 12 1 1 A 41 41 GLY N N 41 106.430 110.485 -4.055 1
1 484 . 12 1 1 A 42 42 PHE H H 42 7.876 8.137 -0.261 1
1 485 . 12 1 1 A 42 42 PHE HA H 42 4.682 4.700 -0.018 1
1 493 . 12 1 1 A 42 42 PHE C C 42 171.499 174.879 -3.380 1
1 494 . 12 1 1 A 42 42 PHE CA C 42 57.793 58.998 -1.205 1
1 495 . 12 1 1 A 42 42 PHE CB C 42 39.422 39.828 -0.406 1
1 501 . 12 1 1 A 42 42 PHE N N 42 122.221 121.249 0.972 1
1 502 . 12 1 1 A 43 43 THR H H 43 8.418 8.002 0.416 1
1 503 . 12 1 1 A 43 43 THR HA H 43 3.665 4.083 -0.418 1
1 508 . 12 1 1 A 43 43 THR C C 43 168.767 173.169 -4.402 1
1 509 . 12 1 1 A 43 43 THR CA C 43 59.002 60.639 -1.637 1
1 510 . 12 1 1 A 43 43 THR CB C 43 70.919 71.941 -1.022 1
1 512 . 12 1 1 A 43 43 THR N N 43 123.470 121.275 2.195 1
1 513 . 12 1 1 A 44 44 LYS H H 44 7.999 8.077 -0.078 1
1 514 . 12 1 1 A 44 44 LYS HA H 44 3.924 4.610 -0.686 1
1 523 . 12 1 1 A 44 44 LYS CA C 44 54.785 54.892 -0.107 1
1 524 . 12 1 1 A 44 44 LYS CB C 44 31.047 31.536 -0.489 1
1 528 . 12 1 1 A 44 44 LYS N N 44 124.728 126.302 -1.574 1
1 529 . 12 1 1 A 45 45 PRO HA H 45 4.581 4.622 -0.041 1
1 536 . 12 1 1 A 45 45 PRO C C 45 172.770 177.055 -4.285 1
1 537 . 12 1 1 A 45 45 PRO CA C 45 60.970 62.620 -1.650 1
1 538 . 12 1 1 A 45 45 PRO CB C 45 33.754 32.396 1.358 1
1 541 . 12 1 1 A 46 46 ALA H H 46 8.715 8.477 0.238 1
1 542 . 12 1 1 A 46 46 ALA HA H 46 4.674 4.989 -0.315 1
1 546 . 12 1 1 A 46 46 ALA C C 46 175.827 178.032 -2.205 1
1 547 . 12 1 1 A 46 46 ALA CA C 46 50.851 52.185 -1.334 1
1 548 . 12 1 1 A 46 46 ALA CB C 46 20.458 19.347 1.111 1
1 549 . 12 1 1 A 46 46 ALA N N 46 123.249 125.136 -1.887 1
1 550 . 12 1 1 A 47 47 SER H H 47 8.518 9.174 -0.656 1
1 551 . 12 1 1 A 47 47 SER HA H 47 4.202 4.333 -0.131 1
1 554 . 12 1 1 A 47 47 SER C C 47 171.769 174.363 -2.594 1
1 555 . 12 1 1 A 47 47 SER CA C 47 58.740 60.582 -1.842 1
1 556 . 12 1 1 A 47 47 SER CB C 47 62.419 63.745 -1.326 1
1 557 . 12 1 1 A 47 47 SER N N 47 117.696 115.261 2.435 1
1 558 . 12 1 1 A 48 48 ARG H H 48 7.276 7.660 -0.384 1
1 559 . 12 1 1 A 48 48 ARG HA H 48 4.466 4.658 -0.192 1
1 566 . 12 1 1 A 48 48 ARG C C 48 170.417 173.735 -3.318 1
1 567 . 12 1 1 A 48 48 ARG CA C 48 54.164 54.786 -0.622 1
1 568 . 12 1 1 A 48 48 ARG CB C 48 29.775 32.860 -3.085 1
1 571 . 12 1 1 A 48 48 ARG N N 48 115.830 116.922 -1.092 1
1 572 . 12 1 1 A 49 49 GLU H H 49 8.681 8.588 0.093 1
1 573 . 12 1 1 A 49 49 GLU HA H 49 5.373 4.934 0.439 1
1 578 . 12 1 1 A 49 49 GLU C C 49 172.716 175.783 -3.067 1
1 579 . 12 1 1 A 49 49 GLU CA C 49 53.744 55.145 -1.401 1
1 580 . 12 1 1 A 49 49 GLU CB C 49 32.057 30.641 1.416 1
1 582 . 12 1 1 A 49 49 GLU N N 49 119.800 119.870 -0.070 1
1 583 . 12 1 1 A 50 50 LEU H H 50 8.720 8.783 -0.063 1
1 584 . 12 1 1 A 50 50 LEU HA H 50 4.821 4.332 0.489 1
1 594 . 12 1 1 A 50 50 LEU C C 50 171.932 176.307 -4.375 1
1 595 . 12 1 1 A 50 50 LEU CA C 50 52.447 54.778 -2.331 1
1 596 . 12 1 1 A 50 50 LEU CB C 50 44.748 42.362 2.386 1
1 600 . 12 1 1 A 50 50 LEU N N 50 124.747 126.334 -1.587 1
1 601 . 12 1 1 A 51 51 SER H H 51 9.560 8.697 0.863 1
1 602 . 12 1 1 A 51 51 SER HA H 51 4.881 5.578 -0.697 1
1 605 . 12 1 1 A 51 51 SER C C 51 171.769 172.343 -0.574 1
1 606 . 12 1 1 A 51 51 SER CA C 51 55.707 55.960 -0.253 1
1 607 . 12 1 1 A 51 51 SER CB C 51 64.701 67.004 -2.303 1
1 608 . 12 1 1 A 51 51 SER N N 51 119.156 115.966 3.190 1
1 609 . 12 1 1 A 52 52 VAL H H 52 8.416 8.569 -0.153 1
1 610 . 12 1 1 A 52 52 VAL HA H 52 5.196 5.203 -0.007 1
1 618 . 12 1 1 A 52 52 VAL CA C 52 59.207 60.511 -1.304 1
1 619 . 12 1 1 A 52 52 VAL CB C 52 33.156 35.753 -2.597 1
1 622 . 12 1 1 A 52 52 VAL N N 52 121.797 122.235 -0.438 1
1 623 . 12 1 1 A 53 53 THR H H 53 8.383 8.473 -0.090 1
1 624 . 12 1 1 A 53 53 THR HA H 53 4.358 4.955 -0.597 1
1 629 . 12 1 1 A 53 53 THR C C 53 169.741 172.086 -2.345 1
1 630 . 12 1 1 A 53 53 THR CA C 53 58.375 59.716 -1.341 1
1 631 . 12 1 1 A 53 53 THR CB C 53 70.707 71.853 -1.146 1
1 633 . 12 1 1 A 53 53 THR N N 53 117.287 118.121 -0.834 1
1 634 . 12 1 1 A 54 54 PHE H H 54 8.737 8.932 -0.195 1
1 635 . 12 1 1 A 54 54 PHE HA H 54 4.536 5.040 -0.504 1
1 643 . 12 1 1 A 54 54 PHE C C 54 172.986 175.328 -2.342 1
1 644 . 12 1 1 A 54 54 PHE CA C 54 57.064 56.204 0.860 1
1 645 . 12 1 1 A 54 54 PHE CB C 54 38.755 40.528 -1.773 1
1 651 . 12 1 1 A 54 54 PHE N N 54 118.180 121.071 -2.891 1
1 652 . 12 1 1 A 55 55 PHE H H 55 9.167 8.922 0.245 1
1 653 . 12 1 1 A 55 55 PHE HA H 55 3.715 4.515 -0.800 1
1 660 . 12 1 1 A 55 55 PHE CA C 55 57.908 57.034 0.874 1
1 661 . 12 1 1 A 55 55 PHE CB C 55 39.594 38.813 0.781 1
1 666 . 12 1 1 A 55 55 PHE N N 55 128.290 123.787 4.503 1
1 667 . 12 1 1 A 56 56 PRO HA H 56 2.356 4.211 -1.855 1
1 674 . 12 1 1 A 56 56 PRO C C 56 171.012 174.917 -3.905 1
1 675 . 12 1 1 A 56 56 PRO CA C 56 62.611 62.068 0.543 1
1 676 . 12 1 1 A 56 56 PRO CB C 56 32.522 30.131 2.391 1
1 679 . 12 1 1 A 57 57 ASP H H 57 9.009 8.640 0.369 1
1 680 . 12 1 1 A 57 57 ASP HA H 57 4.289 4.887 -0.598 1
1 683 . 12 1 1 A 57 57 ASP C C 57 173.257 174.508 -1.251 1
1 684 . 12 1 1 A 57 57 ASP CA C 57 53.752 53.439 0.313 1
1 685 . 12 1 1 A 57 57 ASP CB C 57 40.067 44.066 -3.999 1
1 686 . 12 1 1 A 57 57 ASP N N 57 127.876 122.641 5.235 1
1 687 . 12 1 1 A 58 58 LEU H H 58 8.368 8.477 -0.109 1
1 688 . 12 1 1 A 58 58 LEU HA H 58 4.229 4.789 -0.560 1
1 698 . 12 1 1 A 58 58 LEU C C 58 174.285 177.473 -3.188 1
1 699 . 12 1 1 A 58 58 LEU CA C 58 52.468 53.694 -1.226 1
1 700 . 12 1 1 A 58 58 LEU CB C 58 40.258 42.101 -1.843 1
1 704 . 12 1 1 A 58 58 LEU N N 58 128.010 121.902 6.108 1
1 705 . 12 1 1 A 59 59 ASN H H 59 8.430 8.349 0.081 1
1 706 . 12 1 1 A 59 59 ASN HA H 59 4.198 4.482 -0.284 1
1 711 . 12 1 1 A 59 59 ASN C C 59 173.636 176.762 -3.126 1
1 712 . 12 1 1 A 59 59 ASN CA C 59 54.945 55.605 -0.660 1
1 713 . 12 1 1 A 59 59 ASN CB C 59 38.175 38.434 -0.259 1
1 714 . 12 1 1 A 59 59 ASN N N 59 116.745 118.676 -1.931 1
1 716 . 12 1 1 A 60 60 GLY H H 60 8.083 7.543 0.540 1
1 717 . 12 1 1 A 60 60 GLY HA2 H 60 3.766 4.003 -0.237 1
1 718 . 12 1 1 A 60 60 GLY HA3 H 60 3.326 4.020 -0.694 1
1 719 . 12 1 1 A 60 60 GLY C C 60 169.876 174.583 -4.707 1
1 720 . 12 1 1 A 60 60 GLY CA C 60 44.285 44.919 -0.634 1
1 721 . 12 1 1 A 60 60 GLY N N 60 110.045 107.799 2.246 1
1 722 . 12 1 1 A 61 61 ASP H H 61 8.084 8.706 -0.622 1
1 723 . 12 1 1 A 61 61 ASP HA H 61 4.200 4.401 -0.201 1
1 726 . 12 1 1 A 61 61 ASP C C 61 172.283 175.546 -3.263 1
1 727 . 12 1 1 A 61 61 ASP CA C 61 56.865 56.095 0.770 1
1 728 . 12 1 1 A 61 61 ASP CB C 61 42.113 40.768 1.345 1
1 729 . 12 1 1 A 61 61 ASP N N 61 121.395 119.544 1.851 1
1 730 . 12 1 1 A 62 62 VAL H H 62 8.387 7.621 0.766 1
1 731 . 12 1 1 A 62 62 VAL HA H 62 4.096 4.683 -0.587 1
1 739 . 12 1 1 A 62 62 VAL C C 62 171.255 174.158 -2.903 1
1 740 . 12 1 1 A 62 62 VAL CA C 62 58.914 60.465 -1.551 1
1 741 . 12 1 1 A 62 62 VAL CB C 62 34.433 35.678 -1.245 1
1 744 . 12 1 1 A 62 62 VAL N N 62 117.701 118.370 -0.669 1
1 745 . 12 1 1 A 63 63 VAL H H 63 8.251 8.224 0.027 1
1 746 . 12 1 1 A 63 63 VAL HA H 63 4.637 4.953 -0.316 1
1 754 . 12 1 1 A 63 63 VAL C C 63 171.282 174.278 -2.996 1
1 755 . 12 1 1 A 63 63 VAL CA C 63 59.233 60.012 -0.779 1
1 756 . 12 1 1 A 63 63 VAL CB C 63 33.531 35.269 -1.738 1
1 759 . 12 1 1 A 63 63 VAL N N 63 125.341 125.237 0.104 1
1 760 . 12 1 1 A 64 64 ALA H H 64 9.316 8.989 0.327 1
1 761 . 12 1 1 A 64 64 ALA HA H 64 5.036 5.246 -0.210 1
1 765 . 12 1 1 A 64 64 ALA C C 64 173.825 175.967 -2.142 1
1 766 . 12 1 1 A 64 64 ALA CA C 64 49.059 50.149 -1.090 1
1 767 . 12 1 1 A 64 64 ALA CB C 64 20.323 21.727 -1.404 1
1 768 . 12 1 1 A 64 64 ALA N N 64 128.526 126.680 1.846 1
1 769 . 12 1 1 A 65 65 ILE H H 65 9.451 9.224 0.227 1
1 770 . 12 1 1 A 65 65 ILE HA H 65 4.475 4.869 -0.394 1
1 780 . 12 1 1 A 65 65 ILE C C 65 172.121 175.214 -3.093 1
1 781 . 12 1 1 A 65 65 ILE CA C 65 56.490 59.606 -3.116 1
1 782 . 12 1 1 A 65 65 ILE CB C 65 37.474 40.929 -3.455 1
1 786 . 12 1 1 A 65 65 ILE N N 65 126.677 122.410 4.267 1
1 787 . 12 1 1 A 66 66 ASP H H 66 9.165 8.753 0.412 1
1 788 . 12 1 1 A 66 66 ASP HA H 66 4.045 4.806 -0.761 1
1 791 . 12 1 1 A 66 66 ASP C C 66 174.663 176.149 -1.486 1
1 792 . 12 1 1 A 66 66 ASP CA C 66 54.199 53.683 0.516 1
1 793 . 12 1 1 A 66 66 ASP CB C 66 42.211 41.675 0.536 1
1 794 . 12 1 1 A 66 66 ASP N N 66 128.723 124.591 4.132 1
1 795 . 12 1 1 A 67 67 TYR H H 67 8.919 8.910 0.009 1
1 796 . 12 1 1 A 67 67 TYR HA H 67 4.344 4.236 0.108 1
1 801 . 12 1 1 A 67 67 TYR C C 67 173.257 177.130 -3.873 1
1 802 . 12 1 1 A 67 67 TYR CA C 67 59.614 61.818 -2.204 1
1 803 . 12 1 1 A 67 67 TYR CB C 67 39.338 38.957 0.381 1
1 806 . 12 1 1 A 67 67 TYR N N 67 127.739 121.475 6.264 1
1 807 . 12 1 1 A 68 68 ARG H H 68 9.459 8.506 0.953 1
1 808 . 12 1 1 A 68 68 ARG HA H 68 3.923 4.040 -0.117 1
1 815 . 12 1 1 A 68 68 ARG C C 68 174.150 177.023 -2.873 1
1 816 . 12 1 1 A 68 68 ARG CA C 68 57.691 58.295 -0.604 1
1 817 . 12 1 1 A 68 68 ARG CB C 68 27.945 29.500 -1.555 1
1 820 . 12 1 1 A 68 68 ARG N N 68 121.666 118.010 3.656 1
1 821 . 12 1 1 A 69 69 HIS H H 69 8.146 7.903 0.243 1
1 822 . 12 1 1 A 69 69 HIS HA H 69 4.538 4.488 0.050 1
1 826 . 12 1 1 A 69 69 HIS C C 69 171.391 174.911 -3.520 1
1 827 . 12 1 1 A 69 69 HIS CA C 69 55.405 56.180 -0.775 1
1 828 . 12 1 1 A 69 69 HIS CB C 69 29.458 29.575 -0.117 1
1 830 . 12 1 1 A 69 69 HIS N N 69 117.372 116.672 0.700 1
1 831 . 12 1 1 A 70 70 TYR H H 70 7.468 7.363 0.105 1
1 832 . 12 1 1 A 70 70 TYR HA H 70 3.431 3.591 -0.160 1
1 839 . 12 1 1 A 70 70 TYR C C 70 171.904 174.210 -2.306 1
1 840 . 12 1 1 A 70 70 TYR CA C 70 60.020 55.514 4.506 1
1 841 . 12 1 1 A 70 70 TYR CB C 70 37.554 36.628 0.926 1
1 846 . 12 1 1 A 70 70 TYR N N 70 121.636 122.163 -0.527 1
1 847 . 12 1 1 A 71 71 SER H H 71 5.657 8.999 -3.342 1
1 848 . 12 1 1 A 71 71 SER HA H 71 3.958 4.366 -0.408 1
1 851 . 12 1 1 A 71 71 SER C C 71 170.390 175.123 -4.733 1
1 852 . 12 1 1 A 71 71 SER CA C 71 55.267 58.225 -2.958 1
1 853 . 12 1 1 A 71 71 SER CB C 71 64.410 64.373 0.037 1
1 854 . 12 1 1 A 71 71 SER N N 71 120.240 123.192 -2.952 1
1 855 . 12 1 1 A 72 72 ALA H H 72 8.461 8.924 -0.463 1
1 856 . 12 1 1 A 72 72 ALA HA H 72 3.757 4.073 -0.316 1
1 860 . 12 1 1 A 72 72 ALA CA C 72 54.250 53.738 0.512 1
1 861 . 12 1 1 A 72 72 ALA CB C 72 17.423 18.531 -1.108 1
1 862 . 12 1 1 A 72 72 ALA N N 72 123.497 126.137 -2.640 1
1 863 . 12 1 1 A 73 73 SER HA H 73 3.904 3.933 -0.029 1
1 866 . 12 1 1 A 73 73 SER C C 73 172.500 175.144 -2.644 1
1 867 . 12 1 1 A 73 73 SER CA C 73 59.873 61.492 -1.619 1
1 868 . 12 1 1 A 73 73 SER CB C 73 61.769 62.626 -0.857 1
1 869 . 12 1 1 A 74 74 PHE H H 74 7.508 7.544 -0.036 1
1 870 . 12 1 1 A 74 74 PHE HA H 74 5.163 4.841 0.322 1
1 877 . 12 1 1 A 74 74 PHE C C 74 173.987 176.052 -2.065 1
1 878 . 12 1 1 A 74 74 PHE CA C 74 53.320 57.322 -4.002 1
1 879 . 12 1 1 A 74 74 PHE CB C 74 37.854 38.997 -1.143 1
1 884 . 12 1 1 A 74 74 PHE N N 74 118.853 117.460 1.393 1
1 885 . 12 1 1 A 75 75 LYS H H 75 7.245 7.896 -0.651 1
1 886 . 12 1 1 A 75 75 LYS HA H 75 4.200 3.984 0.216 1
1 895 . 12 1 1 A 75 75 LYS C C 75 173.717 177.649 -3.932 1
1 896 . 12 1 1 A 75 75 LYS CA C 75 59.003 59.809 -0.806 1
1 897 . 12 1 1 A 75 75 LYS CB C 75 31.846 32.079 -0.233 1
1 901 . 12 1 1 A 75 75 LYS N N 75 121.129 122.723 -1.594 1
1 902 . 12 1 1 A 76 76 LYS H H 76 7.841 7.787 0.054 1
1 903 . 12 1 1 A 76 76 LYS HA H 76 3.738 2.504 1.234 1
1 912 . 12 1 1 A 76 76 LYS C C 76 170.200 175.467 -5.267 1
1 913 . 12 1 1 A 76 76 LYS CA C 76 55.114 55.042 0.072 1
1 914 . 12 1 1 A 76 76 LYS CB C 76 32.393 32.360 0.033 1
1 918 . 12 1 1 A 76 76 LYS N N 76 114.423 116.343 -1.920 1
1 919 . 12 1 1 A 77 77 GLY H H 77 7.239 7.079 0.160 1
1 920 . 12 1 1 A 77 77 GLY HA2 H 77 3.737 4.053 -0.316 1
1 921 . 12 1 1 A 77 77 GLY HA3 H 77 4.771 4.067 0.704 1
1 922 . 12 1 1 A 77 77 GLY C C 77 170.795 171.966 -1.171 1
1 923 . 12 1 1 A 77 77 GLY CA C 77 43.770 44.022 -0.252 1
1 924 . 12 1 1 A 77 77 GLY N N 77 103.318 107.044 -3.726 1
1 925 . 12 1 1 A 78 78 ALA H H 78 6.868 8.254 -1.386 1
1 926 . 12 1 1 A 78 78 ALA HA H 78 4.982 5.100 -0.118 1
1 930 . 12 1 1 A 78 78 ALA C C 78 171.904 175.638 -3.734 1
1 931 . 12 1 1 A 78 78 ALA CA C 78 49.907 51.292 -1.385 1
1 932 . 12 1 1 A 78 78 ALA CB C 78 22.601 23.249 -0.648 1
1 933 . 12 1 1 A 78 78 ALA N N 78 117.057 120.706 -3.649 1
1 934 . 12 1 1 A 79 79 LYS H H 79 8.765 8.726 0.039 1
1 935 . 12 1 1 A 79 79 LYS HA H 79 4.636 4.873 -0.237 1
1 944 . 12 1 1 A 79 79 LYS C C 79 171.039 173.731 -2.692 1
1 945 . 12 1 1 A 79 79 LYS CA C 79 54.485 54.383 0.102 1
1 946 . 12 1 1 A 79 79 LYS CB C 79 35.963 35.954 0.009 1
1 950 . 12 1 1 A 79 79 LYS N N 79 117.018 115.844 1.174 1
1 951 . 12 1 1 A 80 80 LEU H H 80 8.782 8.704 0.078 1
1 952 . 12 1 1 A 80 80 LEU HA H 80 4.459 4.636 -0.177 1
1 962 . 12 1 1 A 80 80 LEU C C 80 173.095 177.179 -4.084 1
1 963 . 12 1 1 A 80 80 LEU CA C 80 52.743 51.956 0.787 1
1 964 . 12 1 1 A 80 80 LEU CB C 80 42.494 44.380 -1.886 1
1 968 . 12 1 1 A 80 80 LEU N N 80 122.496 121.542 0.954 1
1 969 . 12 1 1 A 81 81 LEU H H 81 8.636 8.472 0.164 1
1 970 . 12 1 1 A 81 81 LEU HA H 81 3.578 4.109 -0.531 1
1 980 . 12 1 1 A 81 81 LEU CA C 81 57.316 58.778 -1.462 1
1 981 . 12 1 1 A 81 81 LEU CB C 81 39.032 42.053 -3.021 1
1 985 . 12 1 1 A 81 81 LEU N N 81 125.060 125.461 -0.401 1
1 986 . 12 1 1 A 82 82 HIS H H 82 8.379 7.440 0.939 1
1 987 . 12 1 1 A 82 82 HIS HA H 82 4.551 4.763 -0.212 1
1 992 . 12 1 1 A 82 82 HIS C C 82 172.635 174.197 -1.562 1
1 993 . 12 1 1 A 82 82 HIS CA C 82 55.432 55.144 0.288 1
1 994 . 12 1 1 A 82 82 HIS CB C 82 29.646 31.567 -1.921 1
1 997 . 12 1 1 A 82 82 HIS N N 82 114.387 111.113 3.274 1
1 998 . 12 1 1 A 83 83 LYS H H 83 8.023 7.610 0.413 1
1 999 . 12 1 1 A 83 83 LYS HA H 83 4.670 4.412 0.258 1
1 1008 . 12 1 1 A 83 83 LYS CA C 83 52.041 53.525 -1.484 1
1 1009 . 12 1 1 A 83 83 LYS CB C 83 32.741 32.616 0.125 1
1 1013 . 12 1 1 A 83 83 LYS N N 83 122.886 120.913 1.973 1
1 1014 . 12 1 1 A 84 84 PRO HA H 84 4.585 4.670 -0.085 1
1 1021 . 12 1 1 A 84 84 PRO C C 84 172.797 176.045 -3.248 1
1 1022 . 12 1 1 A 84 84 PRO CA C 84 62.050 62.218 -0.168 1
1 1023 . 12 1 1 A 84 84 PRO CB C 84 32.770 32.627 0.143 1
1 1026 . 12 1 1 A 85 85 ILE H H 85 6.185 8.145 -1.960 1
1 1027 . 12 1 1 A 85 85 ILE HA H 85 5.743 5.352 0.391 1
1 1037 . 12 1 1 A 85 85 ILE C C 85 174.366 174.272 0.094 1
1 1038 . 12 1 1 A 85 85 ILE CA C 85 57.032 58.461 -1.429 1
1 1039 . 12 1 1 A 85 85 ILE CB C 85 41.265 41.998 -0.733 1
1 1043 . 12 1 1 A 85 85 ILE N N 85 107.777 116.042 -8.265 1
1 1044 . 12 1 1 A 86 86 VAL H H 86 7.552 8.439 -0.887 1
1 1045 . 12 1 1 A 86 86 VAL HA H 86 4.278 4.811 -0.533 1
1 1053 . 12 1 1 A 86 86 VAL CA C 86 59.345 58.637 0.708 1
1 1054 . 12 1 1 A 86 86 VAL CB C 86 34.990 35.771 -0.781 1
1 1057 . 12 1 1 A 86 86 VAL N N 86 109.584 116.787 -7.203 1
1 1058 . 12 1 1 A 87 87 TRP H H 87 10.036 8.743 1.293 1
1 1059 . 12 1 1 A 87 87 TRP HA H 87 6.158 5.844 0.314 1
1 1068 . 12 1 1 A 87 87 TRP C C 87 174.393 176.369 -1.976 1
1 1069 . 12 1 1 A 87 87 TRP CA C 87 55.238 55.565 -0.327 1
1 1070 . 12 1 1 A 87 87 TRP CB C 87 32.786 30.928 1.858 1
1 1076 . 12 1 1 A 87 87 TRP N N 87 122.256 121.756 0.500 1
1 1078 . 12 1 1 A 88 88 HIS H H 88 8.802 9.342 -0.540 1
1 1079 . 12 1 1 A 88 88 HIS HA H 88 5.383 5.906 -0.523 1
1 1085 . 12 1 1 A 88 88 HIS CA C 88 53.902 53.928 -0.026 1
1 1086 . 12 1 1 A 88 88 HIS CB C 88 37.553 33.133 4.420 1
1 1089 . 12 1 1 A 88 88 HIS N N 88 116.636 118.602 -1.966 1
1 1090 . 12 1 1 A 89 89 ILE H H 89 9.197 8.136 1.061 1
1 1091 . 12 1 1 A 89 89 ILE HA H 89 4.022 4.286 -0.264 1
1 1101 . 12 1 1 A 89 89 ILE C C 89 174.582 176.155 -1.573 1
1 1102 . 12 1 1 A 89 89 ILE CA C 89 61.042 60.157 0.885 1
1 1103 . 12 1 1 A 89 89 ILE CB C 89 40.176 40.105 0.071 1
1 1107 . 12 1 1 A 89 89 ILE N N 89 118.669 120.426 -1.757 1
1 1108 . 12 1 1 A 90 90 ASN H H 90 9.688 8.800 0.888 1
1 1109 . 12 1 1 A 90 90 ASN HA H 90 4.281 4.284 -0.003 1
1 1114 . 12 1 1 A 90 90 ASN C C 90 171.418 174.149 -2.731 1
1 1115 . 12 1 1 A 90 90 ASN CA C 90 53.724 53.858 -0.134 1
1 1116 . 12 1 1 A 90 90 ASN CB C 90 36.919 35.976 0.943 1
1 1117 . 12 1 1 A 90 90 ASN N N 90 128.710 125.545 3.165 1
1 1119 . 12 1 1 A 91 91 GLN H H 91 10.928 7.821 3.107 1
1 1120 . 12 1 1 A 91 91 GLN HA H 91 2.586 3.133 -0.547 1
1 1127 . 12 1 1 A 91 91 GLN C C 91 170.146 174.082 -3.936 1
1 1128 . 12 1 1 A 91 91 GLN CA C 91 55.444 56.910 -1.466 1
1 1129 . 12 1 1 A 91 91 GLN CB C 91 23.948 26.069 -2.121 1
1 1131 . 12 1 1 A 91 91 GLN N N 91 112.871 112.010 0.861 1
1 1133 . 12 1 1 A 92 92 ALA H H 92 7.692 7.872 -0.180 1
1 1134 . 12 1 1 A 92 92 ALA HA H 92 4.979 4.861 0.118 1
1 1138 . 12 1 1 A 92 92 ALA C C 92 174.068 175.593 -1.525 1
1 1139 . 12 1 1 A 92 92 ALA CA C 92 49.792 50.561 -0.769 1
1 1140 . 12 1 1 A 92 92 ALA CB C 92 21.832 22.138 -0.306 1
1 1141 . 12 1 1 A 92 92 ALA N N 92 118.287 120.221 -1.934 1
1 1142 . 12 1 1 A 93 93 THR H H 93 9.026 9.102 -0.076 1
1 1143 . 12 1 1 A 93 93 THR HA H 93 5.281 5.447 -0.166 1
1 1148 . 12 1 1 A 93 93 THR C C 93 170.768 172.588 -1.820 1
1 1149 . 12 1 1 A 93 93 THR CA C 93 58.597 60.163 -1.566 1
1 1150 . 12 1 1 A 93 93 THR CB C 93 70.855 72.715 -1.860 1
1 1152 . 12 1 1 A 93 93 THR N N 93 114.894 113.552 1.342 1
1 1153 . 12 1 1 A 94 94 THR H H 94 8.292 8.322 -0.030 1
1 1154 . 12 1 1 A 94 94 THR HA H 94 4.903 4.972 -0.069 1
1 1159 . 12 1 1 A 94 94 THR CA C 94 58.800 60.221 -1.421 1
1 1160 . 12 1 1 A 94 94 THR CB C 94 71.488 70.390 1.098 1
1 1162 . 12 1 1 A 94 94 THR N N 94 119.907 120.517 -0.610 1
1 1163 . 12 1 1 A 95 95 LYS HA H 95 4.056 4.289 -0.233 1
1 1172 . 12 1 1 A 95 95 LYS CA C 95 59.376 60.442 -1.066 1
1 1173 . 12 1 1 A 95 95 LYS CB C 95 31.083 32.148 -1.065 1
1 1177 . 12 1 1 A 96 96 THR H H 96 7.773 8.020 -0.247 1
1 1178 . 12 1 1 A 96 96 THR HA H 96 3.798 4.035 -0.237 1
1 1183 . 12 1 1 A 96 96 THR C C 96 171.850 176.449 -4.599 1
1 1184 . 12 1 1 A 96 96 THR CA C 96 64.506 66.504 -1.998 1
1 1185 . 12 1 1 A 96 96 THR CB C 96 68.405 68.648 -0.243 1
1 1187 . 12 1 1 A 96 96 THR N N 96 113.841 115.708 -1.867 1
1 1188 . 12 1 1 A 97 97 THR H H 97 6.795 7.961 -1.166 1
1 1189 . 12 1 1 A 97 97 THR HA H 97 3.604 4.516 -0.912 1
1 1194 . 12 1 1 A 97 97 THR C C 97 171.959 176.427 -4.468 1
1 1195 . 12 1 1 A 97 97 THR CA C 97 61.209 63.123 -1.914 1
1 1196 . 12 1 1 A 97 97 THR CB C 97 67.962 69.740 -1.778 1
1 1198 . 12 1 1 A 97 97 THR N N 97 105.731 110.191 -4.460 1
1 1199 . 12 1 1 A 98 98 PHE H H 98 7.410 8.565 -1.155 1
1 1200 . 12 1 1 A 98 98 PHE HA H 98 4.220 4.148 0.072 1
1 1207 . 12 1 1 A 98 98 PHE C C 98 174.528 177.179 -2.651 1
1 1208 . 12 1 1 A 98 98 PHE CA C 98 61.879 61.714 0.165 1
1 1209 . 12 1 1 A 98 98 PHE CB C 98 38.875 39.172 -0.297 1
1 1214 . 12 1 1 A 98 98 PHE N N 98 126.402 123.827 2.575 1
1 1215 . 12 1 1 A 99 99 LYS H H 99 9.459 7.724 1.735 1
1 1216 . 12 1 1 A 99 99 LYS HA H 99 4.089 3.269 0.820 1
1 1225 . 12 1 1 A 99 99 LYS CA C 99 60.763 61.104 -0.341 1
1 1226 . 12 1 1 A 99 99 LYS CB C 99 28.635 31.043 -2.408 1
1 1230 . 12 1 1 A 99 99 LYS N N 99 121.490 117.366 4.124 1
1 1231 . 12 1 1 A 100 100 PRO HA H 100 4.922 4.606 0.316 1
1 1238 . 12 1 1 A 100 100 PRO C C 100 177.314 179.142 -1.828 1
1 1239 . 12 1 1 A 100 100 PRO CA C 100 66.173 65.397 0.776 1
1 1240 . 12 1 1 A 100 100 PRO CB C 100 31.535 30.716 0.819 1
1 1243 . 12 1 1 A 101 101 ASN H H 101 8.530 8.238 0.292 1
1 1244 . 12 1 1 A 101 101 ASN HA H 101 5.244 4.535 0.709 1
1 1249 . 12 1 1 A 101 101 ASN C C 101 175.204 177.885 -2.681 1
1 1250 . 12 1 1 A 101 101 ASN CA C 101 54.555 56.134 -1.579 1
1 1251 . 12 1 1 A 101 101 ASN CB C 101 36.187 38.005 -1.818 1
1 1252 . 12 1 1 A 101 101 ASN N N 101 115.238 116.875 -1.637 1
1 1254 . 12 1 1 A 102 102 THR H H 102 8.488 7.852 0.636 1
1 1255 . 12 1 1 A 102 102 THR HA H 102 4.184 3.996 0.188 1
1 1260 . 12 1 1 A 102 102 THR C C 102 171.472 176.954 -5.482 1
1 1261 . 12 1 1 A 102 102 THR CA C 102 67.543 65.510 2.033 1
1 1262 . 12 1 1 A 102 102 THR CB C 102 67.001 68.118 -1.117 1
1 1264 . 12 1 1 A 102 102 THR N N 102 120.254 112.168 8.086 1
1 1265 . 12 1 1 A 103 103 TRP H H 103 7.283 7.521 -0.238 1
1 1266 . 12 1 1 A 103 103 TRP HA H 103 3.986 4.345 -0.359 1
1 1275 . 12 1 1 A 103 103 TRP C C 103 175.800 178.211 -2.411 1
1 1276 . 12 1 1 A 103 103 TRP CA C 103 60.856 59.605 1.251 1
1 1277 . 12 1 1 A 103 103 TRP CB C 103 27.948 29.190 -1.242 1
1 1283 . 12 1 1 A 103 103 TRP N N 103 121.763 121.571 0.192 1
1 1285 . 12 1 1 A 104 104 CYS H H 104 8.233 7.944 0.289 1
1 1286 . 12 1 1 A 104 104 CYS HA H 104 4.272 4.051 0.221 1
1 1289 . 12 1 1 A 104 104 CYS C C 104 176.259 176.987 -0.728 1
1 1290 . 12 1 1 A 104 104 CYS CA C 104 65.226 62.550 2.676 1
1 1291 . 12 1 1 A 104 104 CYS CB C 104 26.949 26.726 0.223 1
1 1292 . 12 1 1 A 104 104 CYS N N 104 118.046 119.139 -1.093 1
1 1293 . 12 1 1 A 105 105 LEU H H 105 8.726 8.096 0.630 1
1 1294 . 12 1 1 A 105 105 LEU HA H 105 4.000 3.998 0.002 1
1 1304 . 12 1 1 A 105 105 LEU C C 105 176.205 178.790 -2.585 1
1 1305 . 12 1 1 A 105 105 LEU CA C 105 57.810 58.015 -0.205 1
1 1306 . 12 1 1 A 105 105 LEU CB C 105 40.484 41.572 -1.088 1
1 1310 . 12 1 1 A 105 105 LEU N N 105 120.557 120.950 -0.393 1
1 1311 . 12 1 1 A 106 106 ARG H H 106 6.990 7.956 -0.966 1
1 1312 . 12 1 1 A 106 106 ARG HA H 106 2.054 2.542 -0.488 1
1 1319 . 12 1 1 A 106 106 ARG C C 106 177.179 177.219 -0.040 1
1 1320 . 12 1 1 A 106 106 ARG CA C 106 57.405 57.733 -0.328 1
1 1321 . 12 1 1 A 106 106 ARG CB C 106 29.269 29.274 -0.005 1
1 1324 . 12 1 1 A 106 106 ARG N N 106 118.050 117.796 0.254 1
1 1325 . 12 1 1 A 107 107 CYS H H 107 7.623 7.882 -0.259 1
1 1326 . 12 1 1 A 107 107 CYS HA H 107 4.031 4.400 -0.369 1
1 1329 . 12 1 1 A 107 107 CYS C C 107 172.337 177.237 -4.900 1
1 1330 . 12 1 1 A 107 107 CYS CA C 107 63.291 62.553 0.738 1
1 1331 . 12 1 1 A 107 107 CYS CB C 107 26.214 27.483 -1.269 1
1 1332 . 12 1 1 A 107 107 CYS N N 107 117.028 117.893 -0.865 1
1 1333 . 12 1 1 A 108 108 LEU H H 108 7.484 7.660 -0.176 1
1 1334 . 12 1 1 A 108 108 LEU HA H 108 4.159 4.135 0.024 1
1 1344 . 12 1 1 A 108 108 LEU C C 108 174.582 177.732 -3.150 1
1 1345 . 12 1 1 A 108 108 LEU CA C 108 54.203 57.022 -2.819 1
1 1346 . 12 1 1 A 108 108 LEU CB C 108 41.621 42.464 -0.843 1
1 1350 . 12 1 1 A 108 108 LEU N N 108 117.680 118.627 -0.947 1
1 1351 . 12 1 1 A 109 109 TRP H H 109 7.427 7.498 -0.071 1
1 1352 . 12 1 1 A 109 109 TRP HA H 109 4.828 4.904 -0.076 1
1 1361 . 12 1 1 A 109 109 TRP C C 109 173.176 176.525 -3.349 1
1 1362 . 12 1 1 A 109 109 TRP CA C 109 56.353 58.430 -2.077 1
1 1363 . 12 1 1 A 109 109 TRP CB C 109 29.743 30.513 -0.770 1
1 1369 . 12 1 1 A 109 109 TRP N N 109 119.087 120.822 -1.735 1
1 1371 . 12 1 1 A 110 110 SER H H 110 8.199 8.896 -0.697 1
1 1372 . 12 1 1 A 110 110 SER HA H 110 4.688 4.651 0.037 1
1 1375 . 12 1 1 A 110 110 SER C C 110 171.769 173.970 -2.201 1
1 1376 . 12 1 1 A 110 110 SER CA C 110 56.324 58.233 -1.909 1
1 1377 . 12 1 1 A 110 110 SER CB C 110 64.513 63.919 0.594 1
1 1378 . 12 1 1 A 110 110 SER N N 110 115.602 118.965 -3.363 1
1 1379 . 12 1 1 A 111 111 THR H H 111 8.268 8.803 -0.535 1
1 1380 . 12 1 1 A 111 111 THR HA H 111 4.425 4.499 -0.074 1
1 1385 . 12 1 1 A 111 111 THR C C 111 171.526 173.821 -2.295 1
1 1386 . 12 1 1 A 111 111 THR CA C 111 60.861 61.500 -0.639 1
1 1387 . 12 1 1 A 111 111 THR CB C 111 69.202 68.631 0.571 1
1 1389 . 12 1 1 A 111 111 THR N N 111 114.394 118.317 -3.923 1
1 1390 . 12 1 1 A 112 112 LYS H H 112 8.240 8.613 -0.373 1
1 1391 . 12 1 1 A 112 112 LYS HA H 112 4.530 4.940 -0.410 1
1 1400 . 12 1 1 A 112 112 LYS CA C 112 53.768 53.451 0.317 1
1 1401 . 12 1 1 A 112 112 LYS CB C 112 32.067 33.096 -1.029 1
1 1405 . 12 1 1 A 112 112 LYS N N 112 125.207 127.077 -1.870 1
1 1406 . 12 1 1 A 113 113 PRO HA H 113 4.380 4.692 -0.312 1
1 1413 . 12 1 1 A 113 113 PRO C C 113 174.095 175.420 -1.325 1
1 1414 . 12 1 1 A 113 113 PRO CA C 113 62.381 62.584 -0.203 1
1 1415 . 12 1 1 A 113 113 PRO CB C 113 31.408 32.638 -1.230 1
1 1418 . 12 1 1 A 114 114 VAL H H 114 8.195 8.759 -0.564 1
1 1419 . 12 1 1 A 114 114 VAL HA H 114 4.029 4.434 -0.405 1
1 1427 . 12 1 1 A 114 114 VAL C C 114 173.122 174.815 -1.693 1
1 1428 . 12 1 1 A 114 114 VAL CA C 114 61.335 60.645 0.690 1
1 1429 . 12 1 1 A 114 114 VAL CB C 114 32.153 32.968 -0.815 1
1 1432 . 12 1 1 A 114 114 VAL N N 114 120.113 122.398 -2.285 1
1 1433 . 12 1 1 A 115 115 ASP H H 115 8.345 9.111 -0.766 1
1 1434 . 12 1 1 A 115 115 ASP HA H 115 4.592 4.353 0.239 1
1 1437 . 12 1 1 A 115 115 ASP C C 115 172.608 175.109 -2.501 1
1 1438 . 12 1 1 A 115 115 ASP CA C 115 53.202 55.405 -2.203 1
1 1439 . 12 1 1 A 115 115 ASP CB C 115 40.552 40.067 0.485 1
1 1440 . 12 1 1 A 115 115 ASP N N 115 123.853 127.871 -4.018 1
1 1 . 13 1 1 A 2 2 TYR HA H 2 4.617 4.690 -0.073 1
1 7 . 13 1 1 A 2 2 TYR C C 2 172.716 175.387 -2.671 1
1 8 . 13 1 1 A 2 2 TYR CA C 2 56.943 57.347 -0.404 1
1 9 . 13 1 1 A 2 2 TYR CB C 2 38.050 38.221 -0.171 1
1 14 . 13 1 1 A 2 2 TYR N N 2 121.461 120.896 0.565 1
1 15 . 13 1 1 A 3 3 THR H H 3 7.984 8.547 -0.563 1
1 16 . 13 1 1 A 3 3 THR HA H 3 4.684 4.381 0.303 1
1 21 . 13 1 1 A 3 3 THR C C 3 170.931 173.769 -2.838 1
1 22 . 13 1 1 A 3 3 THR CA C 3 60.870 60.964 -0.094 1
1 23 . 13 1 1 A 3 3 THR CB C 3 69.270 69.438 -0.168 1
1 25 . 13 1 1 A 3 3 THR N N 3 117.624 122.877 -5.253 1
1 26 . 13 1 1 A 4 4 GLU H H 4 8.290 7.203 1.087 1
1 27 . 13 1 1 A 4 4 GLU HA H 4 4.183 4.329 -0.146 1
1 32 . 13 1 1 A 4 4 GLU C C 4 173.013 176.050 -3.037 1
1 33 . 13 1 1 A 4 4 GLU CA C 4 55.876 56.164 -0.288 1
1 34 . 13 1 1 A 4 4 GLU CB C 4 29.779 31.233 -1.454 1
1 36 . 13 1 1 A 4 4 GLU N N 4 123.377 122.516 0.861 1
1 37 . 13 1 1 A 5 5 GLN H H 5 8.329 8.371 -0.042 1
1 38 . 13 1 1 A 5 5 GLN HA H 5 4.392 4.398 -0.006 1
1 43 . 13 1 1 A 5 5 GLN CA C 5 52.634 54.710 -2.076 1
1 44 . 13 1 1 A 5 5 GLN CB C 5 28.759 28.952 -0.193 1
1 46 . 13 1 1 A 5 5 GLN N N 5 122.599 121.356 1.243 1
1 47 . 13 1 1 A 6 6 PRO HA H 6 4.323 4.721 -0.398 1
1 54 . 13 1 1 A 6 6 PRO C C 6 173.636 176.314 -2.678 1
1 55 . 13 1 1 A 6 6 PRO CA C 6 62.080 62.271 -0.191 1
1 56 . 13 1 1 A 6 6 PRO CB C 6 30.785 32.413 -1.628 1
1 59 . 13 1 1 A 7 7 ILE H H 7 8.160 8.879 -0.719 1
1 60 . 13 1 1 A 7 7 ILE HA H 7 3.871 4.063 -0.192 1
1 70 . 13 1 1 A 7 7 ILE C C 7 172.770 176.418 -3.648 1
1 71 . 13 1 1 A 7 7 ILE CA C 7 60.589 60.723 -0.134 1
1 72 . 13 1 1 A 7 7 ILE CB C 7 38.318 36.300 2.018 1
1 76 . 13 1 1 A 7 7 ILE N N 7 121.913 121.189 0.724 1
1 77 . 13 1 1 A 8 8 ASP H H 8 8.126 8.498 -0.372 1
1 78 . 13 1 1 A 8 8 ASP HA H 8 4.584 4.251 0.333 1
1 81 . 13 1 1 A 8 8 ASP C C 8 171.742 175.935 -4.193 1
1 82 . 13 1 1 A 8 8 ASP CA C 8 53.265 54.969 -1.704 1
1 83 . 13 1 1 A 8 8 ASP CB C 8 39.521 39.391 0.130 1
1 84 . 13 1 1 A 8 8 ASP N N 8 124.858 125.438 -0.580 1
1 85 . 13 1 1 A 9 9 LEU H H 9 7.374 7.831 -0.457 1
1 86 . 13 1 1 A 9 9 LEU HA H 9 4.506 4.612 -0.106 1
1 96 . 13 1 1 A 9 9 LEU C C 9 174.041 175.637 -1.596 1
1 97 . 13 1 1 A 9 9 LEU CA C 9 53.779 54.305 -0.526 1
1 98 . 13 1 1 A 9 9 LEU CB C 9 43.411 42.860 0.551 1
1 102 . 13 1 1 A 9 9 LEU N N 9 122.151 120.271 1.880 1
1 103 . 13 1 1 A 10 10 VAL H H 10 8.827 8.778 0.049 1
1 104 . 13 1 1 A 10 10 VAL HA H 10 4.841 5.031 -0.190 1
1 112 . 13 1 1 A 10 10 VAL CA C 10 57.706 58.177 -0.471 1
1 113 . 13 1 1 A 10 10 VAL CB C 10 33.895 34.572 -0.677 1
1 116 . 13 1 1 A 10 10 VAL N N 10 120.738 121.038 -0.300 1
1 117 . 13 1 1 A 11 11 PRO HA H 11 4.766 4.940 -0.174 1
1 124 . 13 1 1 A 11 11 PRO C C 11 173.149 175.176 -2.027 1
1 125 . 13 1 1 A 11 11 PRO CA C 11 62.417 62.924 -0.507 1
1 126 . 13 1 1 A 11 11 PRO CB C 11 32.119 33.259 -1.140 1
1 129 . 13 1 1 A 12 12 THR H H 12 7.408 8.367 -0.959 1
1 130 . 13 1 1 A 12 12 THR HA H 12 4.280 4.807 -0.527 1
1 135 . 13 1 1 A 12 12 THR C C 12 166.981 172.171 -5.190 1
1 136 . 13 1 1 A 12 12 THR CA C 12 59.142 59.977 -0.835 1
1 137 . 13 1 1 A 12 12 THR CB C 12 68.812 70.165 -1.353 1
1 139 . 13 1 1 A 12 12 THR N N 12 115.177 116.269 -1.092 1
1 140 . 13 1 1 A 13 13 GLN H H 13 7.953 8.626 -0.673 1
1 141 . 13 1 1 A 13 13 GLN HA H 13 5.073 4.896 0.177 1
1 146 . 13 1 1 A 13 13 GLN CA C 13 52.836 52.742 0.094 1
1 147 . 13 1 1 A 13 13 GLN CB C 13 28.566 31.660 -3.094 1
1 149 . 13 1 1 A 13 13 GLN N N 13 113.324 120.852 -7.528 1
1 150 . 13 1 1 A 14 14 PRO HA H 14 4.340 4.648 -0.308 1
1 157 . 13 1 1 A 14 14 PRO C C 14 173.392 176.625 -3.233 1
1 158 . 13 1 1 A 14 14 PRO CA C 14 62.498 62.474 0.024 1
1 159 . 13 1 1 A 14 14 PRO CB C 14 31.565 32.406 -0.841 1
1 162 . 13 1 1 A 15 15 LEU H H 15 8.764 8.430 0.334 1
1 163 . 13 1 1 A 15 15 LEU HA H 15 4.511 4.637 -0.126 1
1 173 . 13 1 1 A 15 15 LEU CA C 15 52.597 53.421 -0.824 1
1 174 . 13 1 1 A 15 15 LEU CB C 15 40.769 41.114 -0.345 1
1 178 . 13 1 1 A 15 15 LEU N N 15 124.665 122.061 2.604 1
1 179 . 13 1 1 A 16 16 PRO HA H 16 4.325 4.693 -0.368 1
1 186 . 13 1 1 A 16 16 PRO CA C 16 63.358 62.855 0.503 1
1 187 . 13 1 1 A 16 16 PRO CB C 16 31.187 32.488 -1.301 1
1 190 . 13 1 1 A 17 17 ASN H H 17 8.682 8.939 -0.257 1
1 191 . 13 1 1 A 17 17 ASN HA H 17 4.586 4.287 0.299 1
1 196 . 13 1 1 A 17 17 ASN C C 17 174.691 174.593 0.098 1
1 197 . 13 1 1 A 17 17 ASN CA C 17 52.745 54.805 -2.060 1
1 198 . 13 1 1 A 17 17 ASN CB C 17 36.762 37.264 -0.502 1
1 199 . 13 1 1 A 17 17 ASN N N 17 114.315 114.742 -0.427 1
1 201 . 13 1 1 A 18 18 ALA H H 18 7.283 7.833 -0.550 1
1 202 . 13 1 1 A 18 18 ALA HA H 18 4.569 4.497 0.072 1
1 206 . 13 1 1 A 18 18 ALA C C 18 174.041 176.689 -2.648 1
1 207 . 13 1 1 A 18 18 ALA CA C 18 51.618 52.875 -1.257 1
1 208 . 13 1 1 A 18 18 ALA CB C 18 20.698 20.015 0.683 1
1 209 . 13 1 1 A 18 18 ALA N N 18 121.620 122.122 -0.502 1
1 210 . 13 1 1 A 19 19 SER H H 19 8.744 9.002 -0.258 1
1 211 . 13 1 1 A 19 19 SER HA H 19 4.479 4.882 -0.403 1
1 214 . 13 1 1 A 19 19 SER C C 19 169.984 172.493 -2.509 1
1 215 . 13 1 1 A 19 19 SER CA C 19 56.634 57.038 -0.404 1
1 216 . 13 1 1 A 19 19 SER CB C 19 65.044 66.298 -1.254 1
1 217 . 13 1 1 A 19 19 SER N N 19 113.995 113.904 0.091 1
1 218 . 13 1 1 A 20 20 PHE H H 20 7.753 8.136 -0.383 1
1 219 . 13 1 1 A 20 20 PHE HA H 20 3.514 3.952 -0.438 1
1 226 . 13 1 1 A 20 20 PHE C C 20 172.635 173.995 -1.360 1
1 227 . 13 1 1 A 20 20 PHE CA C 20 58.070 59.137 -1.067 1
1 228 . 13 1 1 A 20 20 PHE CB C 20 37.588 39.147 -1.559 1
1 233 . 13 1 1 A 20 20 PHE N N 20 124.690 125.536 -0.846 1
1 234 . 13 1 1 A 21 21 ASP H H 21 8.288 7.747 0.541 1
1 235 . 13 1 1 A 21 21 ASP HA H 21 4.351 4.543 -0.192 1
1 238 . 13 1 1 A 21 21 ASP CA C 21 51.826 51.760 0.066 1
1 239 . 13 1 1 A 21 21 ASP CB C 21 38.598 43.922 -5.324 1
1 240 . 13 1 1 A 21 21 ASP N N 21 127.080 126.203 0.877 1
1 241 . 13 1 1 A 22 22 ASN HA H 22 3.766 4.453 -0.687 1
1 246 . 13 1 1 A 22 22 ASN C C 22 171.688 175.011 -3.323 1
1 247 . 13 1 1 A 22 22 ASN CA C 22 54.954 53.342 1.612 1
1 248 . 13 1 1 A 22 22 ASN CB C 22 37.641 39.110 -1.469 1
1 250 . 13 1 1 A 23 23 PHE H H 23 5.484 7.310 -1.826 1
1 251 . 13 1 1 A 23 23 PHE HA H 23 4.804 4.480 0.324 1
1 259 . 13 1 1 A 23 23 PHE C C 23 169.768 174.853 -5.085 1
1 260 . 13 1 1 A 23 23 PHE CA C 23 54.649 57.553 -2.904 1
1 261 . 13 1 1 A 23 23 PHE CB C 23 39.850 39.659 0.191 1
1 267 . 13 1 1 A 23 23 PHE N N 23 112.858 118.072 -5.214 1
1 268 . 13 1 1 A 24 24 LYS H H 24 8.329 9.014 -0.685 1
1 269 . 13 1 1 A 24 24 LYS HA H 24 3.719 4.733 -1.014 1
1 278 . 13 1 1 A 24 24 LYS C C 24 171.959 174.932 -2.973 1
1 279 . 13 1 1 A 24 24 LYS CA C 24 53.756 54.041 -0.285 1
1 280 . 13 1 1 A 24 24 LYS CB C 24 36.279 35.489 0.790 1
1 284 . 13 1 1 A 24 24 LYS N N 24 119.724 121.639 -1.915 1
1 285 . 13 1 1 A 25 25 LEU H H 25 9.144 8.217 0.927 1
1 286 . 13 1 1 A 25 25 LEU HA H 25 5.462 5.366 0.096 1
1 296 . 13 1 1 A 25 25 LEU C C 25 174.609 175.783 -1.174 1
1 297 . 13 1 1 A 25 25 LEU CA C 25 53.208 53.419 -0.211 1
1 298 . 13 1 1 A 25 25 LEU CB C 25 41.419 44.029 -2.610 1
1 302 . 13 1 1 A 25 25 LEU N N 25 126.849 124.502 2.347 1
1 303 . 13 1 1 A 26 26 THR H H 26 8.956 8.953 0.003 1
1 304 . 13 1 1 A 26 26 THR HA H 26 4.471 5.244 -0.773 1
1 309 . 13 1 1 A 26 26 THR C C 26 169.524 172.934 -3.410 1
1 310 . 13 1 1 A 26 26 THR CA C 26 58.769 59.779 -1.010 1
1 311 . 13 1 1 A 26 26 THR CB C 26 69.971 72.771 -2.800 1
1 313 . 13 1 1 A 26 26 THR N N 26 113.907 113.470 0.437 1
1 314 . 13 1 1 A 27 27 CYS H H 27 8.507 8.521 -0.014 1
1 315 . 13 1 1 A 27 27 CYS HA H 27 4.509 4.825 -0.316 1
1 318 . 13 1 1 A 27 27 CYS C C 27 169.984 174.589 -4.605 1
1 319 . 13 1 1 A 27 27 CYS CA C 27 57.948 57.782 0.166 1
1 320 . 13 1 1 A 27 27 CYS CB C 27 29.529 31.065 -1.536 1
1 321 . 13 1 1 A 27 27 CYS N N 27 120.842 119.029 1.813 1
1 322 . 13 1 1 A 28 28 SER H H 28 9.044 8.972 0.072 1
1 323 . 13 1 1 A 28 28 SER HA H 28 4.140 4.153 -0.013 1
1 326 . 13 1 1 A 28 28 SER C C 28 172.716 175.109 -2.393 1
1 327 . 13 1 1 A 28 28 SER CA C 28 60.986 61.547 -0.561 1
1 328 . 13 1 1 A 28 28 SER CB C 28 61.437 63.545 -2.108 1
1 329 . 13 1 1 A 28 28 SER N N 28 124.898 120.387 4.511 1
1 330 . 13 1 1 A 29 29 ASN H H 29 7.825 7.610 0.215 1
1 331 . 13 1 1 A 29 29 ASN HA H 29 4.951 4.795 0.156 1
1 336 . 13 1 1 A 29 29 ASN C C 29 171.688 175.901 -4.213 1
1 337 . 13 1 1 A 29 29 ASN CA C 29 52.155 53.118 -0.963 1
1 338 . 13 1 1 A 29 29 ASN CB C 29 36.980 38.956 -1.976 1
1 339 . 13 1 1 A 29 29 ASN N N 29 121.001 118.759 2.242 1
1 341 . 13 1 1 A 30 30 THR H H 30 8.062 8.694 -0.632 1
1 342 . 13 1 1 A 30 30 THR HA H 30 3.901 4.027 -0.126 1
1 347 . 13 1 1 A 30 30 THR C C 30 173.338 176.695 -3.357 1
1 348 . 13 1 1 A 30 30 THR CA C 30 64.874 66.085 -1.211 1
1 349 . 13 1 1 A 30 30 THR CB C 30 67.715 68.763 -1.048 1
1 351 . 13 1 1 A 30 30 THR N N 30 119.799 119.059 0.740 1
1 352 . 13 1 1 A 31 31 LYS H H 31 8.015 8.174 -0.159 1
1 353 . 13 1 1 A 31 31 LYS HA H 31 4.119 3.961 0.158 1
1 362 . 13 1 1 A 31 31 LYS C C 31 174.231 178.366 -4.135 1
1 363 . 13 1 1 A 31 31 LYS CA C 31 58.286 59.607 -1.321 1
1 364 . 13 1 1 A 31 31 LYS CB C 31 31.547 32.459 -0.912 1
1 368 . 13 1 1 A 31 31 LYS N N 31 122.845 122.383 0.462 1
1 369 . 13 1 1 A 32 32 PHE H H 32 7.739 8.515 -0.776 1
1 370 . 13 1 1 A 32 32 PHE HA H 32 4.652 4.111 0.541 1
1 378 . 13 1 1 A 32 32 PHE C C 32 174.691 177.143 -2.452 1
1 379 . 13 1 1 A 32 32 PHE CA C 32 59.954 61.979 -2.025 1
1 380 . 13 1 1 A 32 32 PHE CB C 32 38.444 39.377 -0.933 1
1 386 . 13 1 1 A 32 32 PHE N N 32 120.100 120.979 -0.879 1
1 387 . 13 1 1 A 33 33 ALA H H 33 6.955 8.124 -1.169 1
1 388 . 13 1 1 A 33 33 ALA HA H 33 3.555 4.028 -0.473 1
1 392 . 13 1 1 A 33 33 ALA C C 33 175.502 179.355 -3.853 1
1 393 . 13 1 1 A 33 33 ALA CA C 33 54.703 55.004 -0.301 1
1 394 . 13 1 1 A 33 33 ALA CB C 33 17.085 18.127 -1.042 1
1 395 . 13 1 1 A 33 33 ALA N N 33 116.140 120.995 -4.855 1
1 396 . 13 1 1 A 34 34 ASP H H 34 8.795 8.196 0.599 1
1 397 . 13 1 1 A 34 34 ASP HA H 34 4.367 4.374 -0.007 1
1 400 . 13 1 1 A 34 34 ASP C C 34 176.854 177.970 -1.116 1
1 401 . 13 1 1 A 34 34 ASP CA C 34 56.911 57.471 -0.560 1
1 402 . 13 1 1 A 34 34 ASP CB C 34 39.495 41.248 -1.753 1
1 403 . 13 1 1 A 34 34 ASP N N 34 118.170 118.825 -0.655 1
1 404 . 13 1 1 A 35 35 ASP H H 35 8.791 8.402 0.389 1
1 405 . 13 1 1 A 35 35 ASP HA H 35 4.360 4.322 0.038 1
1 408 . 13 1 1 A 35 35 ASP C C 35 177.233 178.832 -1.599 1
1 409 . 13 1 1 A 35 35 ASP CA C 35 56.890 57.759 -0.869 1
1 410 . 13 1 1 A 35 35 ASP CB C 35 39.291 41.553 -2.262 1
1 411 . 13 1 1 A 35 35 ASP N N 35 121.921 120.014 1.907 1
1 412 . 13 1 1 A 36 36 LEU H H 36 7.792 8.044 -0.252 1
1 413 . 13 1 1 A 36 36 LEU HA H 36 4.162 3.940 0.222 1
1 423 . 13 1 1 A 36 36 LEU C C 36 176.097 179.362 -3.265 1
1 424 . 13 1 1 A 36 36 LEU CA C 36 57.508 57.984 -0.476 1
1 425 . 13 1 1 A 36 36 LEU CB C 36 41.523 41.474 0.049 1
1 429 . 13 1 1 A 36 36 LEU N N 36 121.822 120.472 1.350 1
1 430 . 13 1 1 A 37 37 ASN H H 37 9.015 8.690 0.325 1
1 431 . 13 1 1 A 37 37 ASN HA H 37 4.733 4.500 0.233 1
1 436 . 13 1 1 A 37 37 ASN C C 37 176.232 178.484 -2.252 1
1 437 . 13 1 1 A 37 37 ASN CA C 37 54.288 56.681 -2.393 1
1 438 . 13 1 1 A 37 37 ASN CB C 37 37.337 37.839 -0.502 1
1 439 . 13 1 1 A 37 37 ASN N N 37 116.904 117.975 -1.071 1
1 441 . 13 1 1 A 38 38 GLN H H 38 8.218 8.212 0.006 1
1 442 . 13 1 1 A 38 38 GLN HA H 38 4.074 4.093 -0.019 1
1 447 . 13 1 1 A 38 38 GLN C C 38 175.773 178.908 -3.135 1
1 448 . 13 1 1 A 38 38 GLN CA C 38 58.134 59.124 -0.990 1
1 449 . 13 1 1 A 38 38 GLN CB C 38 27.676 28.168 -0.492 1
1 451 . 13 1 1 A 38 38 GLN N N 38 121.443 118.812 2.631 1
1 452 . 13 1 1 A 39 39 MET H H 39 7.487 7.928 -0.441 1
1 453 . 13 1 1 A 39 39 MET HA H 39 3.967 4.292 -0.325 1
1 461 . 13 1 1 A 39 39 MET C C 39 176.259 177.840 -1.581 1
1 462 . 13 1 1 A 39 39 MET CA C 39 58.374 58.158 0.216 1
1 463 . 13 1 1 A 39 39 MET CB C 39 33.000 33.355 -0.355 1
1 466 . 13 1 1 A 39 39 MET N N 39 118.793 118.685 0.108 1
1 467 . 13 1 1 A 40 40 THR H H 40 7.873 7.323 0.550 1
1 468 . 13 1 1 A 40 40 THR HA H 40 3.769 4.368 -0.599 1
1 473 . 13 1 1 A 40 40 THR C C 40 173.906 174.490 -0.584 1
1 474 . 13 1 1 A 40 40 THR CA C 40 61.739 62.955 -1.216 1
1 475 . 13 1 1 A 40 40 THR CB C 40 68.427 69.321 -0.894 1
1 477 . 13 1 1 A 40 40 THR N N 40 108.945 111.250 -2.305 1
1 478 . 13 1 1 A 41 41 GLY H H 41 7.199 7.574 -0.375 1
1 479 . 13 1 1 A 41 41 GLY HA2 H 41 3.899 4.083 -0.184 1
1 480 . 13 1 1 A 41 41 GLY HA3 H 41 3.662 4.146 -0.484 1
1 481 . 13 1 1 A 41 41 GLY C C 41 171.661 174.582 -2.921 1
1 482 . 13 1 1 A 41 41 GLY CA C 41 44.926 45.139 -0.213 1
1 483 . 13 1 1 A 41 41 GLY N N 41 106.430 109.252 -2.822 1
1 484 . 13 1 1 A 42 42 PHE H H 42 7.876 7.858 0.018 1
1 485 . 13 1 1 A 42 42 PHE HA H 42 4.682 4.673 0.009 1
1 493 . 13 1 1 A 42 42 PHE C C 42 171.499 174.773 -3.274 1
1 494 . 13 1 1 A 42 42 PHE CA C 42 57.793 59.274 -1.481 1
1 495 . 13 1 1 A 42 42 PHE CB C 42 39.422 39.810 -0.388 1
1 501 . 13 1 1 A 42 42 PHE N N 42 122.221 122.191 0.030 1
1 502 . 13 1 1 A 43 43 THR H H 43 8.418 8.539 -0.121 1
1 503 . 13 1 1 A 43 43 THR HA H 43 3.665 4.254 -0.589 1
1 508 . 13 1 1 A 43 43 THR C C 43 168.767 173.255 -4.488 1
1 509 . 13 1 1 A 43 43 THR CA C 43 59.002 60.449 -1.447 1
1 510 . 13 1 1 A 43 43 THR CB C 43 70.919 72.276 -1.357 1
1 512 . 13 1 1 A 43 43 THR N N 43 123.470 122.979 0.491 1
1 513 . 13 1 1 A 44 44 LYS H H 44 7.999 8.172 -0.173 1
1 514 . 13 1 1 A 44 44 LYS HA H 44 3.924 4.717 -0.793 1
1 523 . 13 1 1 A 44 44 LYS CA C 44 54.785 54.014 0.771 1
1 524 . 13 1 1 A 44 44 LYS CB C 44 31.047 31.759 -0.712 1
1 528 . 13 1 1 A 44 44 LYS N N 44 124.728 123.493 1.235 1
1 529 . 13 1 1 A 45 45 PRO HA H 45 4.581 4.501 0.080 1
1 536 . 13 1 1 A 45 45 PRO C C 45 172.770 177.236 -4.466 1
1 537 . 13 1 1 A 45 45 PRO CA C 45 60.970 62.605 -1.635 1
1 538 . 13 1 1 A 45 45 PRO CB C 45 33.754 32.273 1.481 1
1 541 . 13 1 1 A 46 46 ALA H H 46 8.715 8.485 0.230 1
1 542 . 13 1 1 A 46 46 ALA HA H 46 4.674 4.863 -0.189 1
1 546 . 13 1 1 A 46 46 ALA C C 46 175.827 178.050 -2.223 1
1 547 . 13 1 1 A 46 46 ALA CA C 46 50.851 52.703 -1.852 1
1 548 . 13 1 1 A 46 46 ALA CB C 46 20.458 19.419 1.039 1
1 549 . 13 1 1 A 46 46 ALA N N 46 123.249 125.401 -2.152 1
1 550 . 13 1 1 A 47 47 SER H H 47 8.518 8.755 -0.237 1
1 551 . 13 1 1 A 47 47 SER HA H 47 4.202 4.296 -0.094 1
1 554 . 13 1 1 A 47 47 SER C C 47 171.769 174.344 -2.575 1
1 555 . 13 1 1 A 47 47 SER CA C 47 58.740 60.706 -1.966 1
1 556 . 13 1 1 A 47 47 SER CB C 47 62.419 63.521 -1.102 1
1 557 . 13 1 1 A 47 47 SER N N 47 117.696 116.369 1.327 1
1 558 . 13 1 1 A 48 48 ARG H H 48 7.276 7.661 -0.385 1
1 559 . 13 1 1 A 48 48 ARG HA H 48 4.466 4.651 -0.185 1
1 566 . 13 1 1 A 48 48 ARG C C 48 170.417 173.479 -3.062 1
1 567 . 13 1 1 A 48 48 ARG CA C 48 54.164 54.988 -0.824 1
1 568 . 13 1 1 A 48 48 ARG CB C 48 29.775 32.442 -2.667 1
1 571 . 13 1 1 A 48 48 ARG N N 48 115.830 116.641 -0.811 1
1 572 . 13 1 1 A 49 49 GLU H H 49 8.681 8.725 -0.044 1
1 573 . 13 1 1 A 49 49 GLU HA H 49 5.373 5.302 0.071 1
1 578 . 13 1 1 A 49 49 GLU C C 49 172.716 175.411 -2.695 1
1 579 . 13 1 1 A 49 49 GLU CA C 49 53.744 54.937 -1.193 1
1 580 . 13 1 1 A 49 49 GLU CB C 49 32.057 32.204 -0.147 1
1 582 . 13 1 1 A 49 49 GLU N N 49 119.800 118.393 1.407 1
1 583 . 13 1 1 A 50 50 LEU H H 50 8.720 9.256 -0.536 1
1 584 . 13 1 1 A 50 50 LEU HA H 50 4.821 5.074 -0.253 1
1 594 . 13 1 1 A 50 50 LEU C C 50 171.932 175.858 -3.926 1
1 595 . 13 1 1 A 50 50 LEU CA C 50 52.447 53.348 -0.901 1
1 596 . 13 1 1 A 50 50 LEU CB C 50 44.748 43.828 0.920 1
1 600 . 13 1 1 A 50 50 LEU N N 50 124.747 126.833 -2.086 1
1 601 . 13 1 1 A 51 51 SER H H 51 9.560 8.835 0.725 1
1 602 . 13 1 1 A 51 51 SER HA H 51 4.881 5.432 -0.551 1
1 605 . 13 1 1 A 51 51 SER C C 51 171.769 173.294 -1.525 1
1 606 . 13 1 1 A 51 51 SER CA C 51 55.707 57.767 -2.060 1
1 607 . 13 1 1 A 51 51 SER CB C 51 64.701 64.853 -0.152 1
1 608 . 13 1 1 A 51 51 SER N N 51 119.156 121.616 -2.460 1
1 609 . 13 1 1 A 52 52 VAL H H 52 8.416 8.684 -0.268 1
1 610 . 13 1 1 A 52 52 VAL HA H 52 5.196 5.108 0.088 1
1 618 . 13 1 1 A 52 52 VAL CA C 52 59.207 60.680 -1.473 1
1 619 . 13 1 1 A 52 52 VAL CB C 52 33.156 34.474 -1.318 1
1 622 . 13 1 1 A 52 52 VAL N N 52 121.797 123.560 -1.763 1
1 623 . 13 1 1 A 53 53 THR H H 53 8.383 8.664 -0.281 1
1 624 . 13 1 1 A 53 53 THR HA H 53 4.358 4.859 -0.501 1
1 629 . 13 1 1 A 53 53 THR C C 53 169.741 172.235 -2.494 1
1 630 . 13 1 1 A 53 53 THR CA C 53 58.375 60.431 -2.056 1
1 631 . 13 1 1 A 53 53 THR CB C 53 70.707 71.698 -0.991 1
1 633 . 13 1 1 A 53 53 THR N N 53 117.287 117.067 0.220 1
1 634 . 13 1 1 A 54 54 PHE H H 54 8.737 8.977 -0.240 1
1 635 . 13 1 1 A 54 54 PHE HA H 54 4.536 5.165 -0.629 1
1 643 . 13 1 1 A 54 54 PHE C C 54 172.986 175.485 -2.499 1
1 644 . 13 1 1 A 54 54 PHE CA C 54 57.064 56.426 0.638 1
1 645 . 13 1 1 A 54 54 PHE CB C 54 38.755 40.157 -1.402 1
1 651 . 13 1 1 A 54 54 PHE N N 54 118.180 122.990 -4.810 1
1 652 . 13 1 1 A 55 55 PHE H H 55 9.167 8.977 0.190 1
1 653 . 13 1 1 A 55 55 PHE HA H 55 3.715 4.557 -0.842 1
1 660 . 13 1 1 A 55 55 PHE CA C 55 57.908 57.062 0.846 1
1 661 . 13 1 1 A 55 55 PHE CB C 55 39.594 38.746 0.848 1
1 666 . 13 1 1 A 55 55 PHE N N 55 128.290 123.890 4.400 1
1 667 . 13 1 1 A 56 56 PRO HA H 56 2.356 3.926 -1.570 1
1 674 . 13 1 1 A 56 56 PRO C C 56 171.012 174.653 -3.641 1
1 675 . 13 1 1 A 56 56 PRO CA C 56 62.611 62.182 0.429 1
1 676 . 13 1 1 A 56 56 PRO CB C 56 32.522 30.118 2.404 1
1 679 . 13 1 1 A 57 57 ASP H H 57 9.009 8.475 0.534 1
1 680 . 13 1 1 A 57 57 ASP HA H 57 4.289 4.962 -0.673 1
1 683 . 13 1 1 A 57 57 ASP C C 57 173.257 174.323 -1.066 1
1 684 . 13 1 1 A 57 57 ASP CA C 57 53.752 53.121 0.631 1
1 685 . 13 1 1 A 57 57 ASP CB C 57 40.067 44.069 -4.002 1
1 686 . 13 1 1 A 57 57 ASP N N 57 127.876 122.533 5.343 1
1 687 . 13 1 1 A 58 58 LEU H H 58 8.368 8.464 -0.096 1
1 688 . 13 1 1 A 58 58 LEU HA H 58 4.229 4.757 -0.528 1
1 698 . 13 1 1 A 58 58 LEU C C 58 174.285 177.384 -3.099 1
1 699 . 13 1 1 A 58 58 LEU CA C 58 52.468 53.145 -0.677 1
1 700 . 13 1 1 A 58 58 LEU CB C 58 40.258 41.562 -1.304 1
1 704 . 13 1 1 A 58 58 LEU N N 58 128.010 121.940 6.070 1
1 705 . 13 1 1 A 59 59 ASN H H 59 8.430 8.054 0.376 1
1 706 . 13 1 1 A 59 59 ASN HA H 59 4.198 4.557 -0.359 1
1 711 . 13 1 1 A 59 59 ASN C C 59 173.636 177.030 -3.394 1
1 712 . 13 1 1 A 59 59 ASN CA C 59 54.945 55.690 -0.745 1
1 713 . 13 1 1 A 59 59 ASN CB C 59 38.175 38.698 -0.523 1
1 714 . 13 1 1 A 59 59 ASN N N 59 116.745 119.599 -2.854 1
1 716 . 13 1 1 A 60 60 GLY H H 60 8.083 7.902 0.181 1
1 717 . 13 1 1 A 60 60 GLY HA2 H 60 3.766 4.019 -0.253 1
1 718 . 13 1 1 A 60 60 GLY HA3 H 60 3.326 4.036 -0.710 1
1 719 . 13 1 1 A 60 60 GLY C C 60 169.876 174.464 -4.588 1
1 720 . 13 1 1 A 60 60 GLY CA C 60 44.285 44.925 -0.640 1
1 721 . 13 1 1 A 60 60 GLY N N 60 110.045 108.381 1.664 1
1 722 . 13 1 1 A 61 61 ASP H H 61 8.084 8.434 -0.350 1
1 723 . 13 1 1 A 61 61 ASP HA H 61 4.200 4.497 -0.297 1
1 726 . 13 1 1 A 61 61 ASP C C 61 172.283 175.639 -3.356 1
1 727 . 13 1 1 A 61 61 ASP CA C 61 56.865 54.873 1.992 1
1 728 . 13 1 1 A 61 61 ASP CB C 61 42.113 41.036 1.077 1
1 729 . 13 1 1 A 61 61 ASP N N 61 121.395 119.473 1.922 1
1 730 . 13 1 1 A 62 62 VAL H H 62 8.387 7.534 0.853 1
1 731 . 13 1 1 A 62 62 VAL HA H 62 4.096 4.726 -0.630 1
1 739 . 13 1 1 A 62 62 VAL C C 62 171.255 174.287 -3.032 1
1 740 . 13 1 1 A 62 62 VAL CA C 62 58.914 60.194 -1.280 1
1 741 . 13 1 1 A 62 62 VAL CB C 62 34.433 36.364 -1.931 1
1 744 . 13 1 1 A 62 62 VAL N N 62 117.701 118.571 -0.870 1
1 745 . 13 1 1 A 63 63 VAL H H 63 8.251 8.236 0.015 1
1 746 . 13 1 1 A 63 63 VAL HA H 63 4.637 4.942 -0.305 1
1 754 . 13 1 1 A 63 63 VAL C C 63 171.282 174.431 -3.149 1
1 755 . 13 1 1 A 63 63 VAL CA C 63 59.233 59.873 -0.640 1
1 756 . 13 1 1 A 63 63 VAL CB C 63 33.531 35.921 -2.390 1
1 759 . 13 1 1 A 63 63 VAL N N 63 125.341 124.974 0.367 1
1 760 . 13 1 1 A 64 64 ALA H H 64 9.316 9.250 0.066 1
1 761 . 13 1 1 A 64 64 ALA HA H 64 5.036 5.310 -0.274 1
1 765 . 13 1 1 A 64 64 ALA C C 64 173.825 175.980 -2.155 1
1 766 . 13 1 1 A 64 64 ALA CA C 64 49.059 50.649 -1.590 1
1 767 . 13 1 1 A 64 64 ALA CB C 64 20.323 22.406 -2.083 1
1 768 . 13 1 1 A 64 64 ALA N N 64 128.526 126.176 2.350 1
1 769 . 13 1 1 A 65 65 ILE H H 65 9.451 9.150 0.301 1
1 770 . 13 1 1 A 65 65 ILE HA H 65 4.475 4.813 -0.338 1
1 780 . 13 1 1 A 65 65 ILE C C 65 172.121 175.089 -2.968 1
1 781 . 13 1 1 A 65 65 ILE CA C 65 56.490 59.653 -3.163 1
1 782 . 13 1 1 A 65 65 ILE CB C 65 37.474 40.996 -3.522 1
1 786 . 13 1 1 A 65 65 ILE N N 65 126.677 122.723 3.954 1
1 787 . 13 1 1 A 66 66 ASP H H 66 9.165 8.512 0.653 1
1 788 . 13 1 1 A 66 66 ASP HA H 66 4.045 3.832 0.213 1
1 791 . 13 1 1 A 66 66 ASP C C 66 174.663 177.194 -2.531 1
1 792 . 13 1 1 A 66 66 ASP CA C 66 54.199 54.606 -0.407 1
1 793 . 13 1 1 A 66 66 ASP CB C 66 42.211 42.348 -0.137 1
1 794 . 13 1 1 A 66 66 ASP N N 66 128.723 125.977 2.746 1
1 795 . 13 1 1 A 67 67 TYR H H 67 8.919 9.283 -0.364 1
1 796 . 13 1 1 A 67 67 TYR HA H 67 4.344 4.232 0.112 1
1 801 . 13 1 1 A 67 67 TYR C C 67 173.257 177.350 -4.093 1
1 802 . 13 1 1 A 67 67 TYR CA C 67 59.614 61.829 -2.215 1
1 803 . 13 1 1 A 67 67 TYR CB C 67 39.338 38.980 0.358 1
1 806 . 13 1 1 A 67 67 TYR N N 67 127.739 127.744 -0.005 1
1 807 . 13 1 1 A 68 68 ARG H H 68 9.459 8.373 1.086 1
1 808 . 13 1 1 A 68 68 ARG HA H 68 3.923 4.050 -0.127 1
1 815 . 13 1 1 A 68 68 ARG C C 68 174.150 177.401 -3.251 1
1 816 . 13 1 1 A 68 68 ARG CA C 68 57.691 58.597 -0.906 1
1 817 . 13 1 1 A 68 68 ARG CB C 68 27.945 30.082 -2.137 1
1 820 . 13 1 1 A 68 68 ARG N N 68 121.666 117.886 3.780 1
1 821 . 13 1 1 A 69 69 HIS H H 69 8.146 8.011 0.135 1
1 822 . 13 1 1 A 69 69 HIS HA H 69 4.538 4.587 -0.049 1
1 826 . 13 1 1 A 69 69 HIS C C 69 171.391 175.204 -3.813 1
1 827 . 13 1 1 A 69 69 HIS CA C 69 55.405 56.773 -1.368 1
1 828 . 13 1 1 A 69 69 HIS CB C 69 29.458 29.665 -0.207 1
1 830 . 13 1 1 A 69 69 HIS N N 69 117.372 117.250 0.122 1
1 831 . 13 1 1 A 70 70 TYR H H 70 7.468 7.509 -0.041 1
1 832 . 13 1 1 A 70 70 TYR HA H 70 3.431 3.345 0.086 1
1 839 . 13 1 1 A 70 70 TYR C C 70 171.904 174.222 -2.318 1
1 840 . 13 1 1 A 70 70 TYR CA C 70 60.020 55.688 4.332 1
1 841 . 13 1 1 A 70 70 TYR CB C 70 37.554 36.546 1.008 1
1 846 . 13 1 1 A 70 70 TYR N N 70 121.636 122.173 -0.537 1
1 847 . 13 1 1 A 71 71 SER H H 71 5.657 9.232 -3.575 1
1 848 . 13 1 1 A 71 71 SER HA H 71 3.958 4.484 -0.526 1
1 851 . 13 1 1 A 71 71 SER C C 71 170.390 175.534 -5.144 1
1 852 . 13 1 1 A 71 71 SER CA C 71 55.267 57.566 -2.299 1
1 853 . 13 1 1 A 71 71 SER CB C 71 64.410 64.267 0.143 1
1 854 . 13 1 1 A 71 71 SER N N 71 120.240 123.232 -2.992 1
1 855 . 13 1 1 A 72 72 ALA H H 72 8.461 8.869 -0.408 1
1 856 . 13 1 1 A 72 72 ALA HA H 72 3.757 3.863 -0.106 1
1 860 . 13 1 1 A 72 72 ALA CA C 72 54.250 54.535 -0.285 1
1 861 . 13 1 1 A 72 72 ALA CB C 72 17.423 18.217 -0.794 1
1 862 . 13 1 1 A 72 72 ALA N N 72 123.497 130.474 -6.977 1
1 863 . 13 1 1 A 73 73 SER HA H 73 3.904 3.949 -0.045 1
1 866 . 13 1 1 A 73 73 SER C C 73 172.500 175.392 -2.892 1
1 867 . 13 1 1 A 73 73 SER CA C 73 59.873 61.684 -1.811 1
1 868 . 13 1 1 A 73 73 SER CB C 73 61.769 62.754 -0.985 1
1 869 . 13 1 1 A 74 74 PHE H H 74 7.508 7.617 -0.109 1
1 870 . 13 1 1 A 74 74 PHE HA H 74 5.163 4.788 0.375 1
1 877 . 13 1 1 A 74 74 PHE C C 74 173.987 176.223 -2.236 1
1 878 . 13 1 1 A 74 74 PHE CA C 74 53.320 57.681 -4.361 1
1 879 . 13 1 1 A 74 74 PHE CB C 74 37.854 38.802 -0.948 1
1 884 . 13 1 1 A 74 74 PHE N N 74 118.853 117.550 1.303 1
1 885 . 13 1 1 A 75 75 LYS H H 75 7.245 7.994 -0.749 1
1 886 . 13 1 1 A 75 75 LYS HA H 75 4.200 4.058 0.142 1
1 895 . 13 1 1 A 75 75 LYS C C 75 173.717 177.669 -3.952 1
1 896 . 13 1 1 A 75 75 LYS CA C 75 59.003 59.755 -0.752 1
1 897 . 13 1 1 A 75 75 LYS CB C 75 31.846 31.876 -0.030 1
1 901 . 13 1 1 A 75 75 LYS N N 75 121.129 122.842 -1.713 1
1 902 . 13 1 1 A 76 76 LYS H H 76 7.841 7.768 0.073 1
1 903 . 13 1 1 A 76 76 LYS HA H 76 3.738 2.418 1.320 1
1 912 . 13 1 1 A 76 76 LYS C C 76 170.200 175.399 -5.199 1
1 913 . 13 1 1 A 76 76 LYS CA C 76 55.114 54.431 0.683 1
1 914 . 13 1 1 A 76 76 LYS CB C 76 32.393 32.549 -0.156 1
1 918 . 13 1 1 A 76 76 LYS N N 76 114.423 116.150 -1.727 1
1 919 . 13 1 1 A 77 77 GLY H H 77 7.239 7.410 -0.171 1
1 920 . 13 1 1 A 77 77 GLY HA2 H 77 3.737 3.994 -0.257 1
1 921 . 13 1 1 A 77 77 GLY HA3 H 77 4.771 4.015 0.756 1
1 922 . 13 1 1 A 77 77 GLY C C 77 170.795 172.358 -1.563 1
1 923 . 13 1 1 A 77 77 GLY CA C 77 43.770 43.968 -0.198 1
1 924 . 13 1 1 A 77 77 GLY N N 77 103.318 107.089 -3.771 1
1 925 . 13 1 1 A 78 78 ALA H H 78 6.868 8.239 -1.371 1
1 926 . 13 1 1 A 78 78 ALA HA H 78 4.982 5.146 -0.164 1
1 930 . 13 1 1 A 78 78 ALA C C 78 171.904 175.692 -3.788 1
1 931 . 13 1 1 A 78 78 ALA CA C 78 49.907 51.262 -1.355 1
1 932 . 13 1 1 A 78 78 ALA CB C 78 22.601 23.378 -0.777 1
1 933 . 13 1 1 A 78 78 ALA N N 78 117.057 120.774 -3.717 1
1 934 . 13 1 1 A 79 79 LYS H H 79 8.765 9.095 -0.330 1
1 935 . 13 1 1 A 79 79 LYS HA H 79 4.636 4.900 -0.264 1
1 944 . 13 1 1 A 79 79 LYS C C 79 171.039 173.735 -2.696 1
1 945 . 13 1 1 A 79 79 LYS CA C 79 54.485 54.314 0.171 1
1 946 . 13 1 1 A 79 79 LYS CB C 79 35.963 36.324 -0.361 1
1 950 . 13 1 1 A 79 79 LYS N N 79 117.018 115.680 1.338 1
1 951 . 13 1 1 A 80 80 LEU H H 80 8.782 8.975 -0.193 1
1 952 . 13 1 1 A 80 80 LEU HA H 80 4.459 4.921 -0.462 1
1 962 . 13 1 1 A 80 80 LEU C C 80 173.095 176.952 -3.857 1
1 963 . 13 1 1 A 80 80 LEU CA C 80 52.743 52.489 0.254 1
1 964 . 13 1 1 A 80 80 LEU CB C 80 42.494 45.095 -2.601 1
1 968 . 13 1 1 A 80 80 LEU N N 80 122.496 121.430 1.066 1
1 969 . 13 1 1 A 81 81 LEU H H 81 8.636 8.526 0.110 1
1 970 . 13 1 1 A 81 81 LEU HA H 81 3.578 4.237 -0.659 1
1 980 . 13 1 1 A 81 81 LEU CA C 81 57.316 58.815 -1.499 1
1 981 . 13 1 1 A 81 81 LEU CB C 81 39.032 42.303 -3.271 1
1 985 . 13 1 1 A 81 81 LEU N N 81 125.060 125.830 -0.770 1
1 986 . 13 1 1 A 82 82 HIS H H 82 8.379 7.612 0.767 1
1 987 . 13 1 1 A 82 82 HIS HA H 82 4.551 4.843 -0.292 1
1 992 . 13 1 1 A 82 82 HIS C C 82 172.635 173.953 -1.318 1
1 993 . 13 1 1 A 82 82 HIS CA C 82 55.432 55.133 0.299 1
1 994 . 13 1 1 A 82 82 HIS CB C 82 29.646 31.475 -1.829 1
1 997 . 13 1 1 A 82 82 HIS N N 82 114.387 111.717 2.670 1
1 998 . 13 1 1 A 83 83 LYS H H 83 8.023 7.424 0.599 1
1 999 . 13 1 1 A 83 83 LYS HA H 83 4.670 4.574 0.096 1
1 1008 . 13 1 1 A 83 83 LYS CA C 83 52.041 53.006 -0.965 1
1 1009 . 13 1 1 A 83 83 LYS CB C 83 32.741 34.354 -1.613 1
1 1013 . 13 1 1 A 83 83 LYS N N 83 122.886 119.291 3.595 1
1 1014 . 13 1 1 A 84 84 PRO HA H 84 4.585 4.657 -0.072 1
1 1021 . 13 1 1 A 84 84 PRO C C 84 172.797 176.178 -3.381 1
1 1022 . 13 1 1 A 84 84 PRO CA C 84 62.050 62.298 -0.248 1
1 1023 . 13 1 1 A 84 84 PRO CB C 84 32.770 32.664 0.106 1
1 1026 . 13 1 1 A 85 85 ILE H H 85 6.185 8.141 -1.956 1
1 1027 . 13 1 1 A 85 85 ILE HA H 85 5.743 5.273 0.470 1
1 1037 . 13 1 1 A 85 85 ILE C C 85 174.366 174.668 -0.302 1
1 1038 . 13 1 1 A 85 85 ILE CA C 85 57.032 58.327 -1.295 1
1 1039 . 13 1 1 A 85 85 ILE CB C 85 41.265 41.672 -0.407 1
1 1043 . 13 1 1 A 85 85 ILE N N 85 107.777 116.007 -8.230 1
1 1044 . 13 1 1 A 86 86 VAL H H 86 7.552 8.379 -0.827 1
1 1045 . 13 1 1 A 86 86 VAL HA H 86 4.278 4.826 -0.548 1
1 1053 . 13 1 1 A 86 86 VAL CA C 86 59.345 58.811 0.534 1
1 1054 . 13 1 1 A 86 86 VAL CB C 86 34.990 35.134 -0.144 1
1 1057 . 13 1 1 A 86 86 VAL N N 86 109.584 118.722 -9.138 1
1 1058 . 13 1 1 A 87 87 TRP H H 87 10.036 8.775 1.261 1
1 1059 . 13 1 1 A 87 87 TRP HA H 87 6.158 5.739 0.419 1
1 1068 . 13 1 1 A 87 87 TRP C C 87 174.393 176.418 -2.025 1
1 1069 . 13 1 1 A 87 87 TRP CA C 87 55.238 56.315 -1.077 1
1 1070 . 13 1 1 A 87 87 TRP CB C 87 32.786 31.882 0.904 1
1 1076 . 13 1 1 A 87 87 TRP N N 87 122.256 122.336 -0.080 1
1 1078 . 13 1 1 A 88 88 HIS H H 88 8.802 9.087 -0.285 1
1 1079 . 13 1 1 A 88 88 HIS HA H 88 5.383 5.908 -0.525 1
1 1085 . 13 1 1 A 88 88 HIS CA C 88 53.902 53.657 0.245 1
1 1086 . 13 1 1 A 88 88 HIS CB C 88 37.553 33.020 4.533 1
1 1089 . 13 1 1 A 88 88 HIS N N 88 116.636 117.558 -0.922 1
1 1090 . 13 1 1 A 89 89 ILE H H 89 9.197 8.863 0.334 1
1 1091 . 13 1 1 A 89 89 ILE HA H 89 4.022 4.416 -0.394 1
1 1101 . 13 1 1 A 89 89 ILE C C 89 174.582 176.040 -1.458 1
1 1102 . 13 1 1 A 89 89 ILE CA C 89 61.042 60.819 0.223 1
1 1103 . 13 1 1 A 89 89 ILE CB C 89 40.176 39.697 0.479 1
1 1107 . 13 1 1 A 89 89 ILE N N 89 118.669 122.037 -3.368 1
1 1108 . 13 1 1 A 90 90 ASN H H 90 9.688 7.773 1.915 1
1 1109 . 13 1 1 A 90 90 ASN HA H 90 4.281 4.854 -0.573 1
1 1114 . 13 1 1 A 90 90 ASN C C 90 171.418 174.708 -3.290 1
1 1115 . 13 1 1 A 90 90 ASN CA C 90 53.724 52.081 1.643 1
1 1116 . 13 1 1 A 90 90 ASN CB C 90 36.919 38.663 -1.744 1
1 1117 . 13 1 1 A 90 90 ASN N N 90 128.710 117.637 11.073 1
1 1119 . 13 1 1 A 91 91 GLN H H 91 10.928 8.183 2.745 1
1 1120 . 13 1 1 A 91 91 GLN HA H 91 2.586 2.608 -0.022 1
1 1127 . 13 1 1 A 91 91 GLN C C 91 170.146 174.051 -3.905 1
1 1128 . 13 1 1 A 91 91 GLN CA C 91 55.444 56.570 -1.126 1
1 1129 . 13 1 1 A 91 91 GLN CB C 91 23.948 26.239 -2.291 1
1 1131 . 13 1 1 A 91 91 GLN N N 91 112.871 112.277 0.594 1
1 1133 . 13 1 1 A 92 92 ALA H H 92 7.692 7.191 0.501 1
1 1134 . 13 1 1 A 92 92 ALA HA H 92 4.979 4.844 0.135 1
1 1138 . 13 1 1 A 92 92 ALA C C 92 174.068 175.322 -1.254 1
1 1139 . 13 1 1 A 92 92 ALA CA C 92 49.792 51.102 -1.310 1
1 1140 . 13 1 1 A 92 92 ALA CB C 92 21.832 23.093 -1.261 1
1 1141 . 13 1 1 A 92 92 ALA N N 92 118.287 118.522 -0.235 1
1 1142 . 13 1 1 A 93 93 THR H H 93 9.026 9.116 -0.090 1
1 1143 . 13 1 1 A 93 93 THR HA H 93 5.281 5.463 -0.182 1
1 1148 . 13 1 1 A 93 93 THR C C 93 170.768 172.843 -2.075 1
1 1149 . 13 1 1 A 93 93 THR CA C 93 58.597 60.018 -1.421 1
1 1150 . 13 1 1 A 93 93 THR CB C 93 70.855 72.415 -1.560 1
1 1152 . 13 1 1 A 93 93 THR N N 93 114.894 113.263 1.631 1
1 1153 . 13 1 1 A 94 94 THR H H 94 8.292 8.445 -0.153 1
1 1154 . 13 1 1 A 94 94 THR HA H 94 4.903 4.854 0.049 1
1 1159 . 13 1 1 A 94 94 THR CA C 94 58.800 59.585 -0.785 1
1 1160 . 13 1 1 A 94 94 THR CB C 94 71.488 71.650 -0.162 1
1 1162 . 13 1 1 A 94 94 THR N N 94 119.907 116.532 3.375 1
1 1163 . 13 1 1 A 95 95 LYS HA H 95 4.056 4.144 -0.088 1
1 1172 . 13 1 1 A 95 95 LYS CA C 95 59.376 59.509 -0.133 1
1 1173 . 13 1 1 A 95 95 LYS CB C 95 31.083 31.997 -0.914 1
1 1177 . 13 1 1 A 96 96 THR H H 96 7.773 7.853 -0.080 1
1 1178 . 13 1 1 A 96 96 THR HA H 96 3.798 4.107 -0.309 1
1 1183 . 13 1 1 A 96 96 THR C C 96 171.850 176.097 -4.247 1
1 1184 . 13 1 1 A 96 96 THR CA C 96 64.506 66.679 -2.173 1
1 1185 . 13 1 1 A 96 96 THR CB C 96 68.405 68.452 -0.047 1
1 1187 . 13 1 1 A 96 96 THR N N 96 113.841 116.156 -2.315 1
1 1188 . 13 1 1 A 97 97 THR H H 97 6.795 7.460 -0.665 1
1 1189 . 13 1 1 A 97 97 THR HA H 97 3.604 4.648 -1.044 1
1 1194 . 13 1 1 A 97 97 THR C C 97 171.959 176.198 -4.239 1
1 1195 . 13 1 1 A 97 97 THR CA C 97 61.209 61.835 -0.626 1
1 1196 . 13 1 1 A 97 97 THR CB C 97 67.962 69.930 -1.968 1
1 1198 . 13 1 1 A 97 97 THR N N 97 105.731 109.780 -4.049 1
1 1199 . 13 1 1 A 98 98 PHE H H 98 7.410 7.890 -0.480 1
1 1200 . 13 1 1 A 98 98 PHE HA H 98 4.220 4.088 0.132 1
1 1207 . 13 1 1 A 98 98 PHE C C 98 174.528 177.042 -2.514 1
1 1208 . 13 1 1 A 98 98 PHE CA C 98 61.879 61.601 0.278 1
1 1209 . 13 1 1 A 98 98 PHE CB C 98 38.875 39.148 -0.273 1
1 1214 . 13 1 1 A 98 98 PHE N N 98 126.402 122.957 3.445 1
1 1215 . 13 1 1 A 99 99 LYS H H 99 9.459 8.074 1.385 1
1 1216 . 13 1 1 A 99 99 LYS HA H 99 4.089 3.353 0.736 1
1 1225 . 13 1 1 A 99 99 LYS CA C 99 60.763 61.178 -0.415 1
1 1226 . 13 1 1 A 99 99 LYS CB C 99 28.635 30.582 -1.947 1
1 1230 . 13 1 1 A 99 99 LYS N N 99 121.490 117.525 3.965 1
1 1231 . 13 1 1 A 100 100 PRO HA H 100 4.922 4.609 0.313 1
1 1238 . 13 1 1 A 100 100 PRO C C 100 177.314 178.902 -1.588 1
1 1239 . 13 1 1 A 100 100 PRO CA C 100 66.173 65.564 0.609 1
1 1240 . 13 1 1 A 100 100 PRO CB C 100 31.535 30.542 0.993 1
1 1243 . 13 1 1 A 101 101 ASN H H 101 8.530 8.321 0.209 1
1 1244 . 13 1 1 A 101 101 ASN HA H 101 5.244 4.561 0.683 1
1 1249 . 13 1 1 A 101 101 ASN C C 101 175.204 177.856 -2.652 1
1 1250 . 13 1 1 A 101 101 ASN CA C 101 54.555 55.796 -1.241 1
1 1251 . 13 1 1 A 101 101 ASN CB C 101 36.187 38.141 -1.954 1
1 1252 . 13 1 1 A 101 101 ASN N N 101 115.238 115.546 -0.308 1
1 1254 . 13 1 1 A 102 102 THR H H 102 8.488 8.057 0.431 1
1 1255 . 13 1 1 A 102 102 THR HA H 102 4.184 3.974 0.210 1
1 1260 . 13 1 1 A 102 102 THR C C 102 171.472 176.743 -5.271 1
1 1261 . 13 1 1 A 102 102 THR CA C 102 67.543 65.510 2.033 1
1 1262 . 13 1 1 A 102 102 THR CB C 102 67.001 68.031 -1.030 1
1 1264 . 13 1 1 A 102 102 THR N N 102 120.254 111.631 8.623 1
1 1265 . 13 1 1 A 103 103 TRP H H 103 7.283 8.107 -0.824 1
1 1266 . 13 1 1 A 103 103 TRP HA H 103 3.986 4.351 -0.365 1
1 1275 . 13 1 1 A 103 103 TRP C C 103 175.800 177.889 -2.089 1
1 1276 . 13 1 1 A 103 103 TRP CA C 103 60.856 60.562 0.294 1
1 1277 . 13 1 1 A 103 103 TRP CB C 103 27.948 28.479 -0.531 1
1 1283 . 13 1 1 A 103 103 TRP N N 103 121.763 121.569 0.194 1
1 1285 . 13 1 1 A 104 104 CYS H H 104 8.233 7.921 0.312 1
1 1286 . 13 1 1 A 104 104 CYS HA H 104 4.272 4.284 -0.012 1
1 1289 . 13 1 1 A 104 104 CYS C C 104 176.259 176.806 -0.547 1
1 1290 . 13 1 1 A 104 104 CYS CA C 104 65.226 62.042 3.184 1
1 1291 . 13 1 1 A 104 104 CYS CB C 104 26.949 27.163 -0.214 1
1 1292 . 13 1 1 A 104 104 CYS N N 104 118.046 119.176 -1.130 1
1 1293 . 13 1 1 A 105 105 LEU H H 105 8.726 7.844 0.882 1
1 1294 . 13 1 1 A 105 105 LEU HA H 105 4.000 3.893 0.107 1
1 1304 . 13 1 1 A 105 105 LEU C C 105 176.205 178.816 -2.611 1
1 1305 . 13 1 1 A 105 105 LEU CA C 105 57.810 58.010 -0.200 1
1 1306 . 13 1 1 A 105 105 LEU CB C 105 40.484 41.416 -0.932 1
1 1310 . 13 1 1 A 105 105 LEU N N 105 120.557 121.316 -0.759 1
1 1311 . 13 1 1 A 106 106 ARG H H 106 6.990 7.691 -0.701 1
1 1312 . 13 1 1 A 106 106 ARG HA H 106 2.054 2.475 -0.421 1
1 1319 . 13 1 1 A 106 106 ARG C C 106 177.179 177.562 -0.383 1
1 1320 . 13 1 1 A 106 106 ARG CA C 106 57.405 58.049 -0.644 1
1 1321 . 13 1 1 A 106 106 ARG CB C 106 29.269 29.416 -0.147 1
1 1324 . 13 1 1 A 106 106 ARG N N 106 118.050 117.964 0.086 1
1 1325 . 13 1 1 A 107 107 CYS H H 107 7.623 7.695 -0.072 1
1 1326 . 13 1 1 A 107 107 CYS HA H 107 4.031 4.379 -0.348 1
1 1329 . 13 1 1 A 107 107 CYS C C 107 172.337 177.160 -4.823 1
1 1330 . 13 1 1 A 107 107 CYS CA C 107 63.291 61.740 1.551 1
1 1331 . 13 1 1 A 107 107 CYS CB C 107 26.214 27.420 -1.206 1
1 1332 . 13 1 1 A 107 107 CYS N N 107 117.028 118.814 -1.786 1
1 1333 . 13 1 1 A 108 108 LEU H H 108 7.484 7.598 -0.114 1
1 1334 . 13 1 1 A 108 108 LEU HA H 108 4.159 4.251 -0.092 1
1 1344 . 13 1 1 A 108 108 LEU C C 108 174.582 177.638 -3.056 1
1 1345 . 13 1 1 A 108 108 LEU CA C 108 54.203 56.626 -2.423 1
1 1346 . 13 1 1 A 108 108 LEU CB C 108 41.621 42.426 -0.805 1
1 1350 . 13 1 1 A 108 108 LEU N N 108 117.680 118.614 -0.934 1
1 1351 . 13 1 1 A 109 109 TRP H H 109 7.427 7.641 -0.214 1
1 1352 . 13 1 1 A 109 109 TRP HA H 109 4.828 4.984 -0.156 1
1 1361 . 13 1 1 A 109 109 TRP C C 109 173.176 176.444 -3.268 1
1 1362 . 13 1 1 A 109 109 TRP CA C 109 56.353 58.522 -2.169 1
1 1363 . 13 1 1 A 109 109 TRP CB C 109 29.743 30.494 -0.751 1
1 1369 . 13 1 1 A 109 109 TRP N N 109 119.087 120.294 -1.207 1
1 1371 . 13 1 1 A 110 110 SER H H 110 8.199 8.470 -0.271 1
1 1372 . 13 1 1 A 110 110 SER HA H 110 4.688 4.878 -0.190 1
1 1375 . 13 1 1 A 110 110 SER C C 110 171.769 174.841 -3.072 1
1 1376 . 13 1 1 A 110 110 SER CA C 110 56.324 58.429 -2.105 1
1 1377 . 13 1 1 A 110 110 SER CB C 110 64.513 64.364 0.149 1
1 1378 . 13 1 1 A 110 110 SER N N 110 115.602 119.778 -4.176 1
1 1379 . 13 1 1 A 111 111 THR H H 111 8.268 8.623 -0.355 1
1 1380 . 13 1 1 A 111 111 THR HA H 111 4.425 4.717 -0.292 1
1 1385 . 13 1 1 A 111 111 THR C C 111 171.526 174.161 -2.635 1
1 1386 . 13 1 1 A 111 111 THR CA C 111 60.861 61.141 -0.280 1
1 1387 . 13 1 1 A 111 111 THR CB C 111 69.202 70.592 -1.390 1
1 1389 . 13 1 1 A 111 111 THR N N 111 114.394 115.181 -0.787 1
1 1390 . 13 1 1 A 112 112 LYS H H 112 8.240 8.874 -0.634 1
1 1391 . 13 1 1 A 112 112 LYS HA H 112 4.530 4.303 0.227 1
1 1400 . 13 1 1 A 112 112 LYS CA C 112 53.768 57.060 -3.292 1
1 1401 . 13 1 1 A 112 112 LYS CB C 112 32.067 31.551 0.516 1
1 1405 . 13 1 1 A 112 112 LYS N N 112 125.207 120.730 4.477 1
1 1406 . 13 1 1 A 113 113 PRO HA H 113 4.380 4.653 -0.273 1
1 1413 . 13 1 1 A 113 113 PRO C C 113 174.095 175.555 -1.460 1
1 1414 . 13 1 1 A 113 113 PRO CA C 113 62.381 62.744 -0.363 1
1 1415 . 13 1 1 A 113 113 PRO CB C 113 31.408 33.181 -1.773 1
1 1418 . 13 1 1 A 114 114 VAL H H 114 8.195 8.090 0.105 1
1 1419 . 13 1 1 A 114 114 VAL HA H 114 4.029 4.726 -0.697 1
1 1427 . 13 1 1 A 114 114 VAL C C 114 173.122 174.330 -1.208 1
1 1428 . 13 1 1 A 114 114 VAL CA C 114 61.335 60.302 1.033 1
1 1429 . 13 1 1 A 114 114 VAL CB C 114 32.153 31.696 0.457 1
1 1432 . 13 1 1 A 114 114 VAL N N 114 120.113 115.047 5.066 1
1 1433 . 13 1 1 A 115 115 ASP H H 115 8.345 8.845 -0.500 1
1 1434 . 13 1 1 A 115 115 ASP HA H 115 4.592 4.851 -0.259 1
1 1437 . 13 1 1 A 115 115 ASP C C 115 172.608 175.561 -2.953 1
1 1438 . 13 1 1 A 115 115 ASP CA C 115 53.202 53.239 -0.037 1
1 1439 . 13 1 1 A 115 115 ASP CB C 115 40.552 41.079 -0.527 1
1 1440 . 13 1 1 A 115 115 ASP N N 115 123.853 126.084 -2.231 1
1 1 . 14 1 1 A 2 2 TYR HA H 2 4.617 4.453 0.164 1
1 7 . 14 1 1 A 2 2 TYR C C 2 172.716 174.826 -2.110 1
1 8 . 14 1 1 A 2 2 TYR CA C 2 56.943 58.533 -1.590 1
1 9 . 14 1 1 A 2 2 TYR CB C 2 38.050 37.899 0.151 1
1 14 . 14 1 1 A 2 2 TYR N N 2 121.461 127.181 -5.720 1
1 15 . 14 1 1 A 3 3 THR H H 3 7.984 7.555 0.429 1
1 16 . 14 1 1 A 3 3 THR HA H 3 4.684 4.535 0.149 1
1 21 . 14 1 1 A 3 3 THR C C 3 170.931 173.945 -3.014 1
1 22 . 14 1 1 A 3 3 THR CA C 3 60.870 60.878 -0.008 1
1 23 . 14 1 1 A 3 3 THR CB C 3 69.270 70.087 -0.817 1
1 25 . 14 1 1 A 3 3 THR N N 3 117.624 116.974 0.650 1
1 26 . 14 1 1 A 4 4 GLU H H 4 8.290 6.866 1.424 1
1 27 . 14 1 1 A 4 4 GLU HA H 4 4.183 4.231 -0.048 1
1 32 . 14 1 1 A 4 4 GLU C C 4 173.013 174.844 -1.831 1
1 33 . 14 1 1 A 4 4 GLU CA C 4 55.876 56.761 -0.885 1
1 34 . 14 1 1 A 4 4 GLU CB C 4 29.779 29.295 0.484 1
1 36 . 14 1 1 A 4 4 GLU N N 4 123.377 120.344 3.033 1
1 37 . 14 1 1 A 5 5 GLN H H 5 8.329 8.382 -0.053 1
1 38 . 14 1 1 A 5 5 GLN HA H 5 4.392 4.585 -0.193 1
1 43 . 14 1 1 A 5 5 GLN CA C 5 52.634 53.835 -1.201 1
1 44 . 14 1 1 A 5 5 GLN CB C 5 28.759 28.066 0.693 1
1 46 . 14 1 1 A 5 5 GLN N N 5 122.599 121.807 0.792 1
1 47 . 14 1 1 A 6 6 PRO HA H 6 4.323 4.237 0.086 1
1 54 . 14 1 1 A 6 6 PRO C C 6 173.636 176.228 -2.592 1
1 55 . 14 1 1 A 6 6 PRO CA C 6 62.080 62.122 -0.042 1
1 56 . 14 1 1 A 6 6 PRO CB C 6 30.785 32.528 -1.743 1
1 59 . 14 1 1 A 7 7 ILE H H 7 8.160 8.875 -0.715 1
1 60 . 14 1 1 A 7 7 ILE HA H 7 3.871 4.115 -0.244 1
1 70 . 14 1 1 A 7 7 ILE C C 7 172.770 176.194 -3.424 1
1 71 . 14 1 1 A 7 7 ILE CA C 7 60.589 60.993 -0.404 1
1 72 . 14 1 1 A 7 7 ILE CB C 7 38.318 36.280 2.038 1
1 76 . 14 1 1 A 7 7 ILE N N 7 121.913 121.391 0.522 1
1 77 . 14 1 1 A 8 8 ASP H H 8 8.126 8.797 -0.671 1
1 78 . 14 1 1 A 8 8 ASP HA H 8 4.584 4.145 0.439 1
1 81 . 14 1 1 A 8 8 ASP C C 8 171.742 174.593 -2.851 1
1 82 . 14 1 1 A 8 8 ASP CA C 8 53.265 55.539 -2.274 1
1 83 . 14 1 1 A 8 8 ASP CB C 8 39.521 39.818 -0.297 1
1 84 . 14 1 1 A 8 8 ASP N N 8 124.858 123.858 1.000 1
1 85 . 14 1 1 A 9 9 LEU H H 9 7.374 7.835 -0.461 1
1 86 . 14 1 1 A 9 9 LEU HA H 9 4.506 4.569 -0.063 1
1 96 . 14 1 1 A 9 9 LEU C C 9 174.041 175.712 -1.671 1
1 97 . 14 1 1 A 9 9 LEU CA C 9 53.779 54.314 -0.535 1
1 98 . 14 1 1 A 9 9 LEU CB C 9 43.411 43.403 0.008 1
1 102 . 14 1 1 A 9 9 LEU N N 9 122.151 119.651 2.500 1
1 103 . 14 1 1 A 10 10 VAL H H 10 8.827 8.765 0.062 1
1 104 . 14 1 1 A 10 10 VAL HA H 10 4.841 5.020 -0.179 1
1 112 . 14 1 1 A 10 10 VAL CA C 10 57.706 58.127 -0.421 1
1 113 . 14 1 1 A 10 10 VAL CB C 10 33.895 34.434 -0.539 1
1 116 . 14 1 1 A 10 10 VAL N N 10 120.738 119.728 1.010 1
1 117 . 14 1 1 A 11 11 PRO HA H 11 4.766 4.785 -0.019 1
1 124 . 14 1 1 A 11 11 PRO C C 11 173.149 175.028 -1.879 1
1 125 . 14 1 1 A 11 11 PRO CA C 11 62.417 62.837 -0.420 1
1 126 . 14 1 1 A 11 11 PRO CB C 11 32.119 33.315 -1.196 1
1 129 . 14 1 1 A 12 12 THR H H 12 7.408 8.623 -1.215 1
1 130 . 14 1 1 A 12 12 THR HA H 12 4.280 4.833 -0.553 1
1 135 . 14 1 1 A 12 12 THR C C 12 166.981 172.449 -5.468 1
1 136 . 14 1 1 A 12 12 THR CA C 12 59.142 60.350 -1.208 1
1 137 . 14 1 1 A 12 12 THR CB C 12 68.812 69.857 -1.045 1
1 139 . 14 1 1 A 12 12 THR N N 12 115.177 116.074 -0.897 1
1 140 . 14 1 1 A 13 13 GLN H H 13 7.953 8.841 -0.888 1
1 141 . 14 1 1 A 13 13 GLN HA H 13 5.073 5.075 -0.002 1
1 146 . 14 1 1 A 13 13 GLN CA C 13 52.836 53.492 -0.656 1
1 147 . 14 1 1 A 13 13 GLN CB C 13 28.566 32.062 -3.496 1
1 149 . 14 1 1 A 13 13 GLN N N 13 113.324 119.539 -6.215 1
1 150 . 14 1 1 A 14 14 PRO HA H 14 4.340 4.599 -0.259 1
1 157 . 14 1 1 A 14 14 PRO C C 14 173.392 176.649 -3.257 1
1 158 . 14 1 1 A 14 14 PRO CA C 14 62.498 62.394 0.104 1
1 159 . 14 1 1 A 14 14 PRO CB C 14 31.565 32.495 -0.930 1
1 162 . 14 1 1 A 15 15 LEU H H 15 8.764 8.411 0.353 1
1 163 . 14 1 1 A 15 15 LEU HA H 15 4.511 4.796 -0.285 1
1 173 . 14 1 1 A 15 15 LEU CA C 15 52.597 52.098 0.499 1
1 174 . 14 1 1 A 15 15 LEU CB C 15 40.769 43.580 -2.811 1
1 178 . 14 1 1 A 15 15 LEU N N 15 124.665 117.632 7.033 1
1 179 . 14 1 1 A 16 16 PRO HA H 16 4.325 4.458 -0.133 1
1 186 . 14 1 1 A 16 16 PRO CA C 16 63.358 63.266 0.092 1
1 187 . 14 1 1 A 16 16 PRO CB C 16 31.187 32.407 -1.220 1
1 190 . 14 1 1 A 17 17 ASN H H 17 8.682 8.997 -0.315 1
1 191 . 14 1 1 A 17 17 ASN HA H 17 4.586 4.389 0.197 1
1 196 . 14 1 1 A 17 17 ASN C C 17 174.691 174.561 0.130 1
1 197 . 14 1 1 A 17 17 ASN CA C 17 52.745 55.167 -2.422 1
1 198 . 14 1 1 A 17 17 ASN CB C 17 36.762 36.472 0.290 1
1 199 . 14 1 1 A 17 17 ASN N N 17 114.315 113.893 0.422 1
1 201 . 14 1 1 A 18 18 ALA H H 18 7.283 7.992 -0.709 1
1 202 . 14 1 1 A 18 18 ALA HA H 18 4.569 4.377 0.192 1
1 206 . 14 1 1 A 18 18 ALA C C 18 174.041 177.019 -2.978 1
1 207 . 14 1 1 A 18 18 ALA CA C 18 51.618 53.117 -1.499 1
1 208 . 14 1 1 A 18 18 ALA CB C 18 20.698 19.652 1.046 1
1 209 . 14 1 1 A 18 18 ALA N N 18 121.620 123.637 -2.017 1
1 210 . 14 1 1 A 19 19 SER H H 19 8.744 9.088 -0.344 1
1 211 . 14 1 1 A 19 19 SER HA H 19 4.479 4.695 -0.216 1
1 214 . 14 1 1 A 19 19 SER C C 19 169.984 172.202 -2.218 1
1 215 . 14 1 1 A 19 19 SER CA C 19 56.634 56.748 -0.114 1
1 216 . 14 1 1 A 19 19 SER CB C 19 65.044 66.087 -1.043 1
1 217 . 14 1 1 A 19 19 SER N N 19 113.995 116.341 -2.346 1
1 218 . 14 1 1 A 20 20 PHE H H 20 7.753 7.768 -0.015 1
1 219 . 14 1 1 A 20 20 PHE HA H 20 3.514 3.578 -0.064 1
1 226 . 14 1 1 A 20 20 PHE C C 20 172.635 173.827 -1.192 1
1 227 . 14 1 1 A 20 20 PHE CA C 20 58.070 57.949 0.121 1
1 228 . 14 1 1 A 20 20 PHE CB C 20 37.588 38.287 -0.699 1
1 233 . 14 1 1 A 20 20 PHE N N 20 124.690 123.512 1.178 1
1 234 . 14 1 1 A 21 21 ASP H H 21 8.288 8.434 -0.146 1
1 235 . 14 1 1 A 21 21 ASP HA H 21 4.351 4.543 -0.192 1
1 238 . 14 1 1 A 21 21 ASP CA C 21 51.826 53.221 -1.395 1
1 239 . 14 1 1 A 21 21 ASP CB C 21 38.598 42.222 -3.624 1
1 240 . 14 1 1 A 21 21 ASP N N 21 127.080 128.103 -1.023 1
1 241 . 14 1 1 A 22 22 ASN HA H 22 3.766 4.468 -0.702 1
1 246 . 14 1 1 A 22 22 ASN C C 22 171.688 175.022 -3.334 1
1 247 . 14 1 1 A 22 22 ASN CA C 22 54.954 53.381 1.573 1
1 248 . 14 1 1 A 22 22 ASN CB C 22 37.641 37.835 -0.194 1
1 250 . 14 1 1 A 23 23 PHE H H 23 5.484 7.691 -2.207 1
1 251 . 14 1 1 A 23 23 PHE HA H 23 4.804 4.492 0.312 1
1 259 . 14 1 1 A 23 23 PHE C C 23 169.768 174.967 -5.199 1
1 260 . 14 1 1 A 23 23 PHE CA C 23 54.649 57.694 -3.045 1
1 261 . 14 1 1 A 23 23 PHE CB C 23 39.850 39.515 0.335 1
1 267 . 14 1 1 A 23 23 PHE N N 23 112.858 117.945 -5.087 1
1 268 . 14 1 1 A 24 24 LYS H H 24 8.329 8.961 -0.632 1
1 269 . 14 1 1 A 24 24 LYS HA H 24 3.719 4.705 -0.986 1
1 278 . 14 1 1 A 24 24 LYS C C 24 171.959 176.148 -4.189 1
1 279 . 14 1 1 A 24 24 LYS CA C 24 53.756 54.780 -1.024 1
1 280 . 14 1 1 A 24 24 LYS CB C 24 36.279 33.957 2.322 1
1 284 . 14 1 1 A 24 24 LYS N N 24 119.724 123.127 -3.403 1
1 285 . 14 1 1 A 25 25 LEU H H 25 9.144 8.668 0.476 1
1 286 . 14 1 1 A 25 25 LEU HA H 25 5.462 5.430 0.032 1
1 296 . 14 1 1 A 25 25 LEU C C 25 174.609 175.767 -1.158 1
1 297 . 14 1 1 A 25 25 LEU CA C 25 53.208 52.795 0.413 1
1 298 . 14 1 1 A 25 25 LEU CB C 25 41.419 44.786 -3.367 1
1 302 . 14 1 1 A 25 25 LEU N N 25 126.849 121.129 5.720 1
1 303 . 14 1 1 A 26 26 THR H H 26 8.956 9.109 -0.153 1
1 304 . 14 1 1 A 26 26 THR HA H 26 4.471 5.282 -0.811 1
1 309 . 14 1 1 A 26 26 THR C C 26 169.524 172.928 -3.404 1
1 310 . 14 1 1 A 26 26 THR CA C 26 58.769 59.704 -0.935 1
1 311 . 14 1 1 A 26 26 THR CB C 26 69.971 72.551 -2.580 1
1 313 . 14 1 1 A 26 26 THR N N 26 113.907 110.349 3.558 1
1 314 . 14 1 1 A 27 27 CYS H H 27 8.507 8.551 -0.044 1
1 315 . 14 1 1 A 27 27 CYS HA H 27 4.509 4.775 -0.266 1
1 318 . 14 1 1 A 27 27 CYS C C 27 169.984 174.358 -4.374 1
1 319 . 14 1 1 A 27 27 CYS CA C 27 57.948 58.013 -0.065 1
1 320 . 14 1 1 A 27 27 CYS CB C 27 29.529 31.732 -2.203 1
1 321 . 14 1 1 A 27 27 CYS N N 27 120.842 118.859 1.983 1
1 322 . 14 1 1 A 28 28 SER H H 28 9.044 8.557 0.487 1
1 323 . 14 1 1 A 28 28 SER HA H 28 4.140 4.137 0.003 1
1 326 . 14 1 1 A 28 28 SER C C 28 172.716 175.427 -2.711 1
1 327 . 14 1 1 A 28 28 SER CA C 28 60.986 62.058 -1.072 1
1 328 . 14 1 1 A 28 28 SER CB C 28 61.437 62.613 -1.176 1
1 329 . 14 1 1 A 28 28 SER N N 28 124.898 118.138 6.760 1
1 330 . 14 1 1 A 29 29 ASN H H 29 7.825 7.813 0.012 1
1 331 . 14 1 1 A 29 29 ASN HA H 29 4.951 4.739 0.212 1
1 336 . 14 1 1 A 29 29 ASN C C 29 171.688 176.047 -4.359 1
1 337 . 14 1 1 A 29 29 ASN CA C 29 52.155 53.361 -1.206 1
1 338 . 14 1 1 A 29 29 ASN CB C 29 36.980 39.770 -2.790 1
1 339 . 14 1 1 A 29 29 ASN N N 29 121.001 117.523 3.478 1
1 341 . 14 1 1 A 30 30 THR H H 30 8.062 8.758 -0.696 1
1 342 . 14 1 1 A 30 30 THR HA H 30 3.901 4.000 -0.099 1
1 347 . 14 1 1 A 30 30 THR C C 30 173.338 176.803 -3.465 1
1 348 . 14 1 1 A 30 30 THR CA C 30 64.874 66.162 -1.288 1
1 349 . 14 1 1 A 30 30 THR CB C 30 67.715 68.564 -0.849 1
1 351 . 14 1 1 A 30 30 THR N N 30 119.799 119.734 0.065 1
1 352 . 14 1 1 A 31 31 LYS H H 31 8.015 7.810 0.205 1
1 353 . 14 1 1 A 31 31 LYS HA H 31 4.119 4.001 0.118 1
1 362 . 14 1 1 A 31 31 LYS C C 31 174.231 178.450 -4.219 1
1 363 . 14 1 1 A 31 31 LYS CA C 31 58.286 59.228 -0.942 1
1 364 . 14 1 1 A 31 31 LYS CB C 31 31.547 32.312 -0.765 1
1 368 . 14 1 1 A 31 31 LYS N N 31 122.845 122.228 0.617 1
1 369 . 14 1 1 A 32 32 PHE H H 32 7.739 8.727 -0.988 1
1 370 . 14 1 1 A 32 32 PHE HA H 32 4.652 4.246 0.406 1
1 378 . 14 1 1 A 32 32 PHE C C 32 174.691 177.328 -2.637 1
1 379 . 14 1 1 A 32 32 PHE CA C 32 59.954 61.946 -1.992 1
1 380 . 14 1 1 A 32 32 PHE CB C 32 38.444 39.346 -0.902 1
1 386 . 14 1 1 A 32 32 PHE N N 32 120.100 121.191 -1.091 1
1 387 . 14 1 1 A 33 33 ALA H H 33 6.955 8.328 -1.373 1
1 388 . 14 1 1 A 33 33 ALA HA H 33 3.555 4.173 -0.618 1
1 392 . 14 1 1 A 33 33 ALA C C 33 175.502 179.217 -3.715 1
1 393 . 14 1 1 A 33 33 ALA CA C 33 54.703 55.041 -0.338 1
1 394 . 14 1 1 A 33 33 ALA CB C 33 17.085 18.146 -1.061 1
1 395 . 14 1 1 A 33 33 ALA N N 33 116.140 120.892 -4.752 1
1 396 . 14 1 1 A 34 34 ASP H H 34 8.795 8.072 0.723 1
1 397 . 14 1 1 A 34 34 ASP HA H 34 4.367 4.330 0.037 1
1 400 . 14 1 1 A 34 34 ASP C C 34 176.854 178.082 -1.228 1
1 401 . 14 1 1 A 34 34 ASP CA C 34 56.911 57.090 -0.179 1
1 402 . 14 1 1 A 34 34 ASP CB C 34 39.495 41.179 -1.684 1
1 403 . 14 1 1 A 34 34 ASP N N 34 118.170 118.663 -0.493 1
1 404 . 14 1 1 A 35 35 ASP H H 35 8.791 8.537 0.254 1
1 405 . 14 1 1 A 35 35 ASP HA H 35 4.360 4.358 0.002 1
1 408 . 14 1 1 A 35 35 ASP C C 35 177.233 178.704 -1.471 1
1 409 . 14 1 1 A 35 35 ASP CA C 35 56.890 57.580 -0.690 1
1 410 . 14 1 1 A 35 35 ASP CB C 35 39.291 41.671 -2.380 1
1 411 . 14 1 1 A 35 35 ASP N N 35 121.921 119.722 2.199 1
1 412 . 14 1 1 A 36 36 LEU H H 36 7.792 8.139 -0.347 1
1 413 . 14 1 1 A 36 36 LEU HA H 36 4.162 3.945 0.217 1
1 423 . 14 1 1 A 36 36 LEU C C 36 176.097 179.704 -3.607 1
1 424 . 14 1 1 A 36 36 LEU CA C 36 57.508 58.109 -0.601 1
1 425 . 14 1 1 A 36 36 LEU CB C 36 41.523 41.440 0.083 1
1 429 . 14 1 1 A 36 36 LEU N N 36 121.822 119.723 2.099 1
1 430 . 14 1 1 A 37 37 ASN H H 37 9.015 8.338 0.677 1
1 431 . 14 1 1 A 37 37 ASN HA H 37 4.733 4.588 0.145 1
1 436 . 14 1 1 A 37 37 ASN C C 37 176.232 178.490 -2.258 1
1 437 . 14 1 1 A 37 37 ASN CA C 37 54.288 56.539 -2.251 1
1 438 . 14 1 1 A 37 37 ASN CB C 37 37.337 37.923 -0.586 1
1 439 . 14 1 1 A 37 37 ASN N N 37 116.904 117.378 -0.474 1
1 441 . 14 1 1 A 38 38 GLN H H 38 8.218 7.865 0.353 1
1 442 . 14 1 1 A 38 38 GLN HA H 38 4.074 4.100 -0.026 1
1 447 . 14 1 1 A 38 38 GLN C C 38 175.773 179.009 -3.236 1
1 448 . 14 1 1 A 38 38 GLN CA C 38 58.134 59.052 -0.918 1
1 449 . 14 1 1 A 38 38 GLN CB C 38 27.676 28.747 -1.071 1
1 451 . 14 1 1 A 38 38 GLN N N 38 121.443 120.159 1.284 1
1 452 . 14 1 1 A 39 39 MET H H 39 7.487 7.866 -0.379 1
1 453 . 14 1 1 A 39 39 MET HA H 39 3.967 4.250 -0.283 1
1 461 . 14 1 1 A 39 39 MET C C 39 176.259 178.484 -2.225 1
1 462 . 14 1 1 A 39 39 MET CA C 39 58.374 58.178 0.196 1
1 463 . 14 1 1 A 39 39 MET CB C 39 33.000 32.843 0.157 1
1 466 . 14 1 1 A 39 39 MET N N 39 118.793 119.040 -0.247 1
1 467 . 14 1 1 A 40 40 THR H H 40 7.873 7.378 0.495 1
1 468 . 14 1 1 A 40 40 THR HA H 40 3.769 4.091 -0.322 1
1 473 . 14 1 1 A 40 40 THR C C 40 173.906 174.539 -0.633 1
1 474 . 14 1 1 A 40 40 THR CA C 40 61.739 64.236 -2.497 1
1 475 . 14 1 1 A 40 40 THR CB C 40 68.427 69.017 -0.590 1
1 477 . 14 1 1 A 40 40 THR N N 40 108.945 111.327 -2.382 1
1 478 . 14 1 1 A 41 41 GLY H H 41 7.199 7.585 -0.386 1
1 479 . 14 1 1 A 41 41 GLY HA2 H 41 3.899 4.022 -0.123 1
1 480 . 14 1 1 A 41 41 GLY HA3 H 41 3.662 4.040 -0.378 1
1 481 . 14 1 1 A 41 41 GLY C C 41 171.661 174.597 -2.936 1
1 482 . 14 1 1 A 41 41 GLY CA C 41 44.926 45.160 -0.234 1
1 483 . 14 1 1 A 41 41 GLY N N 41 106.430 109.019 -2.589 1
1 484 . 14 1 1 A 42 42 PHE H H 42 7.876 8.016 -0.140 1
1 485 . 14 1 1 A 42 42 PHE HA H 42 4.682 4.681 0.001 1
1 493 . 14 1 1 A 42 42 PHE C C 42 171.499 174.728 -3.229 1
1 494 . 14 1 1 A 42 42 PHE CA C 42 57.793 59.386 -1.593 1
1 495 . 14 1 1 A 42 42 PHE CB C 42 39.422 40.040 -0.618 1
1 501 . 14 1 1 A 42 42 PHE N N 42 122.221 121.985 0.236 1
1 502 . 14 1 1 A 43 43 THR H H 43 8.418 8.109 0.309 1
1 503 . 14 1 1 A 43 43 THR HA H 43 3.665 4.101 -0.436 1
1 508 . 14 1 1 A 43 43 THR C C 43 168.767 173.299 -4.532 1
1 509 . 14 1 1 A 43 43 THR CA C 43 59.002 60.580 -1.578 1
1 510 . 14 1 1 A 43 43 THR CB C 43 70.919 71.917 -0.998 1
1 512 . 14 1 1 A 43 43 THR N N 43 123.470 121.769 1.701 1
1 513 . 14 1 1 A 44 44 LYS H H 44 7.999 8.174 -0.175 1
1 514 . 14 1 1 A 44 44 LYS HA H 44 3.924 4.691 -0.767 1
1 523 . 14 1 1 A 44 44 LYS CA C 44 54.785 54.804 -0.019 1
1 524 . 14 1 1 A 44 44 LYS CB C 44 31.047 31.388 -0.341 1
1 528 . 14 1 1 A 44 44 LYS N N 44 124.728 126.227 -1.499 1
1 529 . 14 1 1 A 45 45 PRO HA H 45 4.581 4.528 0.053 1
1 536 . 14 1 1 A 45 45 PRO C C 45 172.770 177.102 -4.332 1
1 537 . 14 1 1 A 45 45 PRO CA C 45 60.970 62.743 -1.773 1
1 538 . 14 1 1 A 45 45 PRO CB C 45 33.754 32.377 1.377 1
1 541 . 14 1 1 A 46 46 ALA H H 46 8.715 8.535 0.180 1
1 542 . 14 1 1 A 46 46 ALA HA H 46 4.674 4.675 -0.001 1
1 546 . 14 1 1 A 46 46 ALA C C 46 175.827 178.057 -2.230 1
1 547 . 14 1 1 A 46 46 ALA CA C 46 50.851 52.275 -1.424 1
1 548 . 14 1 1 A 46 46 ALA CB C 46 20.458 19.442 1.016 1
1 549 . 14 1 1 A 46 46 ALA N N 46 123.249 124.887 -1.638 1
1 550 . 14 1 1 A 47 47 SER H H 47 8.518 9.023 -0.505 1
1 551 . 14 1 1 A 47 47 SER HA H 47 4.202 4.338 -0.136 1
1 554 . 14 1 1 A 47 47 SER C C 47 171.769 174.418 -2.649 1
1 555 . 14 1 1 A 47 47 SER CA C 47 58.740 60.542 -1.802 1
1 556 . 14 1 1 A 47 47 SER CB C 47 62.419 63.483 -1.064 1
1 557 . 14 1 1 A 47 47 SER N N 47 117.696 117.161 0.535 1
1 558 . 14 1 1 A 48 48 ARG H H 48 7.276 7.704 -0.428 1
1 559 . 14 1 1 A 48 48 ARG HA H 48 4.466 4.794 -0.328 1
1 566 . 14 1 1 A 48 48 ARG C C 48 170.417 173.843 -3.426 1
1 567 . 14 1 1 A 48 48 ARG CA C 48 54.164 54.617 -0.453 1
1 568 . 14 1 1 A 48 48 ARG CB C 48 29.775 33.608 -3.833 1
1 571 . 14 1 1 A 48 48 ARG N N 48 115.830 116.784 -0.954 1
1 572 . 14 1 1 A 49 49 GLU H H 49 8.681 8.663 0.018 1
1 573 . 14 1 1 A 49 49 GLU HA H 49 5.373 5.027 0.346 1
1 578 . 14 1 1 A 49 49 GLU C C 49 172.716 176.019 -3.303 1
1 579 . 14 1 1 A 49 49 GLU CA C 49 53.744 55.212 -1.468 1
1 580 . 14 1 1 A 49 49 GLU CB C 49 32.057 30.706 1.351 1
1 582 . 14 1 1 A 49 49 GLU N N 49 119.800 120.209 -0.409 1
1 583 . 14 1 1 A 50 50 LEU H H 50 8.720 8.255 0.465 1
1 584 . 14 1 1 A 50 50 LEU HA H 50 4.821 4.484 0.337 1
1 594 . 14 1 1 A 50 50 LEU C C 50 171.932 175.885 -3.953 1
1 595 . 14 1 1 A 50 50 LEU CA C 50 52.447 54.079 -1.632 1
1 596 . 14 1 1 A 50 50 LEU CB C 50 44.748 43.033 1.715 1
1 600 . 14 1 1 A 50 50 LEU N N 50 124.747 123.237 1.510 1
1 601 . 14 1 1 A 51 51 SER H H 51 9.560 8.902 0.658 1
1 602 . 14 1 1 A 51 51 SER HA H 51 4.881 5.533 -0.652 1
1 605 . 14 1 1 A 51 51 SER C C 51 171.769 172.776 -1.007 1
1 606 . 14 1 1 A 51 51 SER CA C 51 55.707 56.029 -0.322 1
1 607 . 14 1 1 A 51 51 SER CB C 51 64.701 66.379 -1.678 1
1 608 . 14 1 1 A 51 51 SER N N 51 119.156 117.298 1.858 1
1 609 . 14 1 1 A 52 52 VAL H H 52 8.416 8.772 -0.356 1
1 610 . 14 1 1 A 52 52 VAL HA H 52 5.196 5.081 0.115 1
1 618 . 14 1 1 A 52 52 VAL CA C 52 59.207 60.948 -1.741 1
1 619 . 14 1 1 A 52 52 VAL CB C 52 33.156 34.028 -0.872 1
1 622 . 14 1 1 A 52 52 VAL N N 52 121.797 123.251 -1.454 1
1 623 . 14 1 1 A 53 53 THR H H 53 8.383 8.926 -0.543 1
1 624 . 14 1 1 A 53 53 THR HA H 53 4.358 4.870 -0.512 1
1 629 . 14 1 1 A 53 53 THR C C 53 169.741 173.011 -3.270 1
1 630 . 14 1 1 A 53 53 THR CA C 53 58.375 58.994 -0.619 1
1 631 . 14 1 1 A 53 53 THR CB C 53 70.707 71.826 -1.119 1
1 633 . 14 1 1 A 53 53 THR N N 53 117.287 116.829 0.458 1
1 634 . 14 1 1 A 54 54 PHE H H 54 8.737 8.867 -0.130 1
1 635 . 14 1 1 A 54 54 PHE HA H 54 4.536 4.840 -0.304 1
1 643 . 14 1 1 A 54 54 PHE C C 54 172.986 175.860 -2.874 1
1 644 . 14 1 1 A 54 54 PHE CA C 54 57.064 57.020 0.044 1
1 645 . 14 1 1 A 54 54 PHE CB C 54 38.755 39.714 -0.959 1
1 651 . 14 1 1 A 54 54 PHE N N 54 118.180 122.594 -4.414 1
1 652 . 14 1 1 A 55 55 PHE H H 55 9.167 9.133 0.034 1
1 653 . 14 1 1 A 55 55 PHE HA H 55 3.715 4.505 -0.790 1
1 660 . 14 1 1 A 55 55 PHE CA C 55 57.908 57.547 0.361 1
1 661 . 14 1 1 A 55 55 PHE CB C 55 39.594 39.312 0.282 1
1 666 . 14 1 1 A 55 55 PHE N N 55 128.290 124.724 3.566 1
1 667 . 14 1 1 A 56 56 PRO HA H 56 2.356 3.538 -1.182 1
1 674 . 14 1 1 A 56 56 PRO C C 56 171.012 175.713 -4.701 1
1 675 . 14 1 1 A 56 56 PRO CA C 56 62.611 63.569 -0.958 1
1 676 . 14 1 1 A 56 56 PRO CB C 56 32.522 32.224 0.298 1
1 679 . 14 1 1 A 57 57 ASP H H 57 9.009 7.875 1.134 1
1 680 . 14 1 1 A 57 57 ASP HA H 57 4.289 4.506 -0.217 1
1 683 . 14 1 1 A 57 57 ASP C C 57 173.257 176.950 -3.693 1
1 684 . 14 1 1 A 57 57 ASP CA C 57 53.752 54.632 -0.880 1
1 685 . 14 1 1 A 57 57 ASP CB C 57 40.067 41.263 -1.196 1
1 686 . 14 1 1 A 57 57 ASP N N 57 127.876 121.722 6.154 1
1 687 . 14 1 1 A 58 58 LEU H H 58 8.368 8.337 0.031 1
1 688 . 14 1 1 A 58 58 LEU HA H 58 4.229 4.862 -0.633 1
1 698 . 14 1 1 A 58 58 LEU C C 58 174.285 177.705 -3.420 1
1 699 . 14 1 1 A 58 58 LEU CA C 58 52.468 53.999 -1.531 1
1 700 . 14 1 1 A 58 58 LEU CB C 58 40.258 42.258 -2.000 1
1 704 . 14 1 1 A 58 58 LEU N N 58 128.010 117.998 10.012 1
1 705 . 14 1 1 A 59 59 ASN H H 59 8.430 8.115 0.315 1
1 706 . 14 1 1 A 59 59 ASN HA H 59 4.198 4.477 -0.279 1
1 711 . 14 1 1 A 59 59 ASN C C 59 173.636 177.168 -3.532 1
1 712 . 14 1 1 A 59 59 ASN CA C 59 54.945 56.026 -1.081 1
1 713 . 14 1 1 A 59 59 ASN CB C 59 38.175 37.961 0.214 1
1 714 . 14 1 1 A 59 59 ASN N N 59 116.745 119.250 -2.505 1
1 716 . 14 1 1 A 60 60 GLY H H 60 8.083 8.152 -0.069 1
1 717 . 14 1 1 A 60 60 GLY HA2 H 60 3.766 3.902 -0.136 1
1 718 . 14 1 1 A 60 60 GLY HA3 H 60 3.326 3.914 -0.588 1
1 719 . 14 1 1 A 60 60 GLY C C 60 169.876 174.559 -4.683 1
1 720 . 14 1 1 A 60 60 GLY CA C 60 44.285 45.531 -1.246 1
1 721 . 14 1 1 A 60 60 GLY N N 60 110.045 107.709 2.336 1
1 722 . 14 1 1 A 61 61 ASP H H 61 8.084 8.166 -0.082 1
1 723 . 14 1 1 A 61 61 ASP HA H 61 4.200 4.293 -0.093 1
1 726 . 14 1 1 A 61 61 ASP C C 61 172.283 176.387 -4.104 1
1 727 . 14 1 1 A 61 61 ASP CA C 61 56.865 56.832 0.033 1
1 728 . 14 1 1 A 61 61 ASP CB C 61 42.113 40.790 1.323 1
1 729 . 14 1 1 A 61 61 ASP N N 61 121.395 120.407 0.988 1
1 730 . 14 1 1 A 62 62 VAL H H 62 8.387 7.696 0.691 1
1 731 . 14 1 1 A 62 62 VAL HA H 62 4.096 4.442 -0.346 1
1 739 . 14 1 1 A 62 62 VAL C C 62 171.255 174.969 -3.714 1
1 740 . 14 1 1 A 62 62 VAL CA C 62 58.914 61.171 -2.257 1
1 741 . 14 1 1 A 62 62 VAL CB C 62 34.433 33.855 0.578 1
1 744 . 14 1 1 A 62 62 VAL N N 62 117.701 118.957 -1.256 1
1 745 . 14 1 1 A 63 63 VAL H H 63 8.251 8.476 -0.225 1
1 746 . 14 1 1 A 63 63 VAL HA H 63 4.637 4.359 0.278 1
1 754 . 14 1 1 A 63 63 VAL C C 63 171.282 175.532 -4.250 1
1 755 . 14 1 1 A 63 63 VAL CA C 63 59.233 62.072 -2.839 1
1 756 . 14 1 1 A 63 63 VAL CB C 63 33.531 32.333 1.198 1
1 759 . 14 1 1 A 63 63 VAL N N 63 125.341 128.445 -3.104 1
1 760 . 14 1 1 A 64 64 ALA H H 64 9.316 8.687 0.629 1
1 761 . 14 1 1 A 64 64 ALA HA H 64 5.036 5.372 -0.336 1
1 765 . 14 1 1 A 64 64 ALA C C 64 173.825 176.156 -2.331 1
1 766 . 14 1 1 A 64 64 ALA CA C 64 49.059 50.314 -1.255 1
1 767 . 14 1 1 A 64 64 ALA CB C 64 20.323 21.765 -1.442 1
1 768 . 14 1 1 A 64 64 ALA N N 64 128.526 127.373 1.153 1
1 769 . 14 1 1 A 65 65 ILE H H 65 9.451 9.314 0.137 1
1 770 . 14 1 1 A 65 65 ILE HA H 65 4.475 4.685 -0.210 1
1 780 . 14 1 1 A 65 65 ILE C C 65 172.121 175.074 -2.953 1
1 781 . 14 1 1 A 65 65 ILE CA C 65 56.490 59.771 -3.281 1
1 782 . 14 1 1 A 65 65 ILE CB C 65 37.474 40.518 -3.044 1
1 786 . 14 1 1 A 65 65 ILE N N 65 126.677 122.911 3.766 1
1 787 . 14 1 1 A 66 66 ASP H H 66 9.165 8.552 0.613 1
1 788 . 14 1 1 A 66 66 ASP HA H 66 4.045 3.921 0.124 1
1 791 . 14 1 1 A 66 66 ASP C C 66 174.663 177.041 -2.378 1
1 792 . 14 1 1 A 66 66 ASP CA C 66 54.199 54.419 -0.220 1
1 793 . 14 1 1 A 66 66 ASP CB C 66 42.211 42.145 0.066 1
1 794 . 14 1 1 A 66 66 ASP N N 66 128.723 125.966 2.757 1
1 795 . 14 1 1 A 67 67 TYR H H 67 8.919 9.051 -0.132 1
1 796 . 14 1 1 A 67 67 TYR HA H 67 4.344 4.027 0.317 1
1 801 . 14 1 1 A 67 67 TYR C C 67 173.257 177.195 -3.938 1
1 802 . 14 1 1 A 67 67 TYR CA C 67 59.614 61.686 -2.072 1
1 803 . 14 1 1 A 67 67 TYR CB C 67 39.338 38.935 0.403 1
1 806 . 14 1 1 A 67 67 TYR N N 67 127.739 128.463 -0.724 1
1 807 . 14 1 1 A 68 68 ARG H H 68 9.459 8.820 0.639 1
1 808 . 14 1 1 A 68 68 ARG HA H 68 3.923 4.078 -0.155 1
1 815 . 14 1 1 A 68 68 ARG C C 68 174.150 177.399 -3.249 1
1 816 . 14 1 1 A 68 68 ARG CA C 68 57.691 58.399 -0.708 1
1 817 . 14 1 1 A 68 68 ARG CB C 68 27.945 29.709 -1.764 1
1 820 . 14 1 1 A 68 68 ARG N N 68 121.666 117.994 3.672 1
1 821 . 14 1 1 A 69 69 HIS H H 69 8.146 7.793 0.353 1
1 822 . 14 1 1 A 69 69 HIS HA H 69 4.538 4.512 0.026 1
1 826 . 14 1 1 A 69 69 HIS C C 69 171.391 174.749 -3.358 1
1 827 . 14 1 1 A 69 69 HIS CA C 69 55.405 56.432 -1.027 1
1 828 . 14 1 1 A 69 69 HIS CB C 69 29.458 29.746 -0.288 1
1 830 . 14 1 1 A 69 69 HIS N N 69 117.372 116.734 0.638 1
1 831 . 14 1 1 A 70 70 TYR H H 70 7.468 7.482 -0.014 1
1 832 . 14 1 1 A 70 70 TYR HA H 70 3.431 3.848 -0.417 1
1 839 . 14 1 1 A 70 70 TYR C C 70 171.904 174.179 -2.275 1
1 840 . 14 1 1 A 70 70 TYR CA C 70 60.020 56.055 3.965 1
1 841 . 14 1 1 A 70 70 TYR CB C 70 37.554 36.990 0.564 1
1 846 . 14 1 1 A 70 70 TYR N N 70 121.636 122.114 -0.478 1
1 847 . 14 1 1 A 71 71 SER H H 71 5.657 8.583 -2.926 1
1 848 . 14 1 1 A 71 71 SER HA H 71 3.958 4.468 -0.510 1
1 851 . 14 1 1 A 71 71 SER C C 71 170.390 175.208 -4.818 1
1 852 . 14 1 1 A 71 71 SER CA C 71 55.267 56.334 -1.067 1
1 853 . 14 1 1 A 71 71 SER CB C 71 64.410 64.587 -0.177 1
1 854 . 14 1 1 A 71 71 SER N N 71 120.240 123.736 -3.496 1
1 855 . 14 1 1 A 72 72 ALA H H 72 8.461 8.787 -0.326 1
1 856 . 14 1 1 A 72 72 ALA HA H 72 3.757 3.742 0.015 1
1 860 . 14 1 1 A 72 72 ALA CA C 72 54.250 55.051 -0.801 1
1 861 . 14 1 1 A 72 72 ALA CB C 72 17.423 18.193 -0.770 1
1 862 . 14 1 1 A 72 72 ALA N N 72 123.497 128.922 -5.425 1
1 863 . 14 1 1 A 73 73 SER HA H 73 3.904 4.080 -0.176 1
1 866 . 14 1 1 A 73 73 SER C C 73 172.500 175.262 -2.762 1
1 867 . 14 1 1 A 73 73 SER CA C 73 59.873 60.941 -1.068 1
1 868 . 14 1 1 A 73 73 SER CB C 73 61.769 62.716 -0.947 1
1 869 . 14 1 1 A 74 74 PHE H H 74 7.508 7.957 -0.449 1
1 870 . 14 1 1 A 74 74 PHE HA H 74 5.163 4.864 0.299 1
1 877 . 14 1 1 A 74 74 PHE C C 74 173.987 176.154 -2.167 1
1 878 . 14 1 1 A 74 74 PHE CA C 74 53.320 57.282 -3.962 1
1 879 . 14 1 1 A 74 74 PHE CB C 74 37.854 39.194 -1.340 1
1 884 . 14 1 1 A 74 74 PHE N N 74 118.853 118.404 0.449 1
1 885 . 14 1 1 A 75 75 LYS H H 75 7.245 7.575 -0.330 1
1 886 . 14 1 1 A 75 75 LYS HA H 75 4.200 4.099 0.101 1
1 895 . 14 1 1 A 75 75 LYS C C 75 173.717 177.667 -3.950 1
1 896 . 14 1 1 A 75 75 LYS CA C 75 59.003 59.860 -0.857 1
1 897 . 14 1 1 A 75 75 LYS CB C 75 31.846 32.155 -0.309 1
1 901 . 14 1 1 A 75 75 LYS N N 75 121.129 122.986 -1.857 1
1 902 . 14 1 1 A 76 76 LYS H H 76 7.841 7.733 0.108 1
1 903 . 14 1 1 A 76 76 LYS HA H 76 3.738 2.458 1.280 1
1 912 . 14 1 1 A 76 76 LYS C C 76 170.200 175.549 -5.349 1
1 913 . 14 1 1 A 76 76 LYS CA C 76 55.114 54.774 0.340 1
1 914 . 14 1 1 A 76 76 LYS CB C 76 32.393 31.958 0.435 1
1 918 . 14 1 1 A 76 76 LYS N N 76 114.423 116.419 -1.996 1
1 919 . 14 1 1 A 77 77 GLY H H 77 7.239 7.443 -0.204 1
1 920 . 14 1 1 A 77 77 GLY HA2 H 77 3.737 4.042 -0.305 1
1 921 . 14 1 1 A 77 77 GLY HA3 H 77 4.771 4.053 0.718 1
1 922 . 14 1 1 A 77 77 GLY C C 77 170.795 172.367 -1.572 1
1 923 . 14 1 1 A 77 77 GLY CA C 77 43.770 44.282 -0.512 1
1 924 . 14 1 1 A 77 77 GLY N N 77 103.318 106.826 -3.508 1
1 925 . 14 1 1 A 78 78 ALA H H 78 6.868 8.086 -1.218 1
1 926 . 14 1 1 A 78 78 ALA HA H 78 4.982 4.986 -0.004 1
1 930 . 14 1 1 A 78 78 ALA C C 78 171.904 175.392 -3.488 1
1 931 . 14 1 1 A 78 78 ALA CA C 78 49.907 51.178 -1.271 1
1 932 . 14 1 1 A 78 78 ALA CB C 78 22.601 23.147 -0.546 1
1 933 . 14 1 1 A 78 78 ALA N N 78 117.057 120.443 -3.386 1
1 934 . 14 1 1 A 79 79 LYS H H 79 8.765 8.837 -0.072 1
1 935 . 14 1 1 A 79 79 LYS HA H 79 4.636 4.828 -0.192 1
1 944 . 14 1 1 A 79 79 LYS C C 79 171.039 174.175 -3.136 1
1 945 . 14 1 1 A 79 79 LYS CA C 79 54.485 54.544 -0.059 1
1 946 . 14 1 1 A 79 79 LYS CB C 79 35.963 36.082 -0.119 1
1 950 . 14 1 1 A 79 79 LYS N N 79 117.018 115.756 1.262 1
1 951 . 14 1 1 A 80 80 LEU H H 80 8.782 8.302 0.480 1
1 952 . 14 1 1 A 80 80 LEU HA H 80 4.459 4.457 0.002 1
1 962 . 14 1 1 A 80 80 LEU C C 80 173.095 177.720 -4.625 1
1 963 . 14 1 1 A 80 80 LEU CA C 80 52.743 52.986 -0.243 1
1 964 . 14 1 1 A 80 80 LEU CB C 80 42.494 44.133 -1.639 1
1 968 . 14 1 1 A 80 80 LEU N N 80 122.496 123.025 -0.529 1
1 969 . 14 1 1 A 81 81 LEU H H 81 8.636 8.584 0.052 1
1 970 . 14 1 1 A 81 81 LEU HA H 81 3.578 3.965 -0.387 1
1 980 . 14 1 1 A 81 81 LEU CA C 81 57.316 58.819 -1.503 1
1 981 . 14 1 1 A 81 81 LEU CB C 81 39.032 42.051 -3.019 1
1 985 . 14 1 1 A 81 81 LEU N N 81 125.060 126.081 -1.021 1
1 986 . 14 1 1 A 82 82 HIS H H 82 8.379 7.355 1.024 1
1 987 . 14 1 1 A 82 82 HIS HA H 82 4.551 4.732 -0.181 1
1 992 . 14 1 1 A 82 82 HIS C C 82 172.635 174.474 -1.839 1
1 993 . 14 1 1 A 82 82 HIS CA C 82 55.432 55.180 0.252 1
1 994 . 14 1 1 A 82 82 HIS CB C 82 29.646 31.703 -2.057 1
1 997 . 14 1 1 A 82 82 HIS N N 82 114.387 111.539 2.848 1
1 998 . 14 1 1 A 83 83 LYS H H 83 8.023 7.327 0.696 1
1 999 . 14 1 1 A 83 83 LYS HA H 83 4.670 4.333 0.337 1
1 1008 . 14 1 1 A 83 83 LYS CA C 83 52.041 53.887 -1.846 1
1 1009 . 14 1 1 A 83 83 LYS CB C 83 32.741 31.429 1.312 1
1 1013 . 14 1 1 A 83 83 LYS N N 83 122.886 121.712 1.174 1
1 1014 . 14 1 1 A 84 84 PRO HA H 84 4.585 4.613 -0.028 1
1 1021 . 14 1 1 A 84 84 PRO C C 84 172.797 175.971 -3.174 1
1 1022 . 14 1 1 A 84 84 PRO CA C 84 62.050 62.263 -0.213 1
1 1023 . 14 1 1 A 84 84 PRO CB C 84 32.770 32.600 0.170 1
1 1026 . 14 1 1 A 85 85 ILE H H 85 6.185 8.130 -1.945 1
1 1027 . 14 1 1 A 85 85 ILE HA H 85 5.743 5.341 0.402 1
1 1037 . 14 1 1 A 85 85 ILE C C 85 174.366 174.325 0.041 1
1 1038 . 14 1 1 A 85 85 ILE CA C 85 57.032 58.477 -1.445 1
1 1039 . 14 1 1 A 85 85 ILE CB C 85 41.265 41.992 -0.727 1
1 1043 . 14 1 1 A 85 85 ILE N N 85 107.777 115.746 -7.969 1
1 1044 . 14 1 1 A 86 86 VAL H H 86 7.552 8.552 -1.000 1
1 1045 . 14 1 1 A 86 86 VAL HA H 86 4.278 4.768 -0.490 1
1 1053 . 14 1 1 A 86 86 VAL CA C 86 59.345 58.847 0.498 1
1 1054 . 14 1 1 A 86 86 VAL CB C 86 34.990 35.626 -0.636 1
1 1057 . 14 1 1 A 86 86 VAL N N 86 109.584 117.395 -7.811 1
1 1058 . 14 1 1 A 87 87 TRP H H 87 10.036 8.655 1.381 1
1 1059 . 14 1 1 A 87 87 TRP HA H 87 6.158 5.917 0.241 1
1 1068 . 14 1 1 A 87 87 TRP C C 87 174.393 176.262 -1.869 1
1 1069 . 14 1 1 A 87 87 TRP CA C 87 55.238 55.391 -0.153 1
1 1070 . 14 1 1 A 87 87 TRP CB C 87 32.786 31.574 1.212 1
1 1076 . 14 1 1 A 87 87 TRP N N 87 122.256 121.580 0.676 1
1 1078 . 14 1 1 A 88 88 HIS H H 88 8.802 8.947 -0.145 1
1 1079 . 14 1 1 A 88 88 HIS HA H 88 5.383 6.108 -0.725 1
1 1085 . 14 1 1 A 88 88 HIS CA C 88 53.902 53.899 0.003 1
1 1086 . 14 1 1 A 88 88 HIS CB C 88 37.553 32.967 4.586 1
1 1089 . 14 1 1 A 88 88 HIS N N 88 116.636 118.279 -1.643 1
1 1090 . 14 1 1 A 89 89 ILE H H 89 9.197 8.734 0.463 1
1 1091 . 14 1 1 A 89 89 ILE HA H 89 4.022 4.456 -0.434 1
1 1101 . 14 1 1 A 89 89 ILE C C 89 174.582 176.260 -1.678 1
1 1102 . 14 1 1 A 89 89 ILE CA C 89 61.042 60.391 0.651 1
1 1103 . 14 1 1 A 89 89 ILE CB C 89 40.176 40.297 -0.121 1
1 1107 . 14 1 1 A 89 89 ILE N N 89 118.669 120.496 -1.827 1
1 1108 . 14 1 1 A 90 90 ASN H H 90 9.688 9.133 0.555 1
1 1109 . 14 1 1 A 90 90 ASN HA H 90 4.281 4.364 -0.083 1
1 1114 . 14 1 1 A 90 90 ASN C C 90 171.418 174.084 -2.666 1
1 1115 . 14 1 1 A 90 90 ASN CA C 90 53.724 53.928 -0.204 1
1 1116 . 14 1 1 A 90 90 ASN CB C 90 36.919 36.070 0.849 1
1 1117 . 14 1 1 A 90 90 ASN N N 90 128.710 125.893 2.817 1
1 1119 . 14 1 1 A 91 91 GLN H H 91 10.928 8.245 2.683 1
1 1120 . 14 1 1 A 91 91 GLN HA H 91 2.586 2.807 -0.221 1
1 1127 . 14 1 1 A 91 91 GLN C C 91 170.146 174.101 -3.955 1
1 1128 . 14 1 1 A 91 91 GLN CA C 91 55.444 56.755 -1.311 1
1 1129 . 14 1 1 A 91 91 GLN CB C 91 23.948 26.246 -2.298 1
1 1131 . 14 1 1 A 91 91 GLN N N 91 112.871 111.521 1.350 1
1 1133 . 14 1 1 A 92 92 ALA H H 92 7.692 7.982 -0.290 1
1 1134 . 14 1 1 A 92 92 ALA HA H 92 4.979 5.090 -0.111 1
1 1138 . 14 1 1 A 92 92 ALA C C 92 174.068 175.833 -1.765 1
1 1139 . 14 1 1 A 92 92 ALA CA C 92 49.792 50.536 -0.744 1
1 1140 . 14 1 1 A 92 92 ALA CB C 92 21.832 22.374 -0.542 1
1 1141 . 14 1 1 A 92 92 ALA N N 92 118.287 120.381 -2.094 1
1 1142 . 14 1 1 A 93 93 THR H H 93 9.026 9.063 -0.037 1
1 1143 . 14 1 1 A 93 93 THR HA H 93 5.281 5.219 0.062 1
1 1148 . 14 1 1 A 93 93 THR C C 93 170.768 174.085 -3.317 1
1 1149 . 14 1 1 A 93 93 THR CA C 93 58.597 60.738 -2.141 1
1 1150 . 14 1 1 A 93 93 THR CB C 93 70.855 70.330 0.525 1
1 1152 . 14 1 1 A 93 93 THR N N 93 114.894 113.731 1.163 1
1 1153 . 14 1 1 A 94 94 THR H H 94 8.292 8.666 -0.374 1
1 1154 . 14 1 1 A 94 94 THR HA H 94 4.903 4.704 0.199 1
1 1159 . 14 1 1 A 94 94 THR CA C 94 58.800 60.729 -1.929 1
1 1160 . 14 1 1 A 94 94 THR CB C 94 71.488 71.281 0.207 1
1 1162 . 14 1 1 A 94 94 THR N N 94 119.907 119.057 0.850 1
1 1163 . 14 1 1 A 95 95 LYS HA H 95 4.056 4.215 -0.159 1
1 1172 . 14 1 1 A 95 95 LYS CA C 95 59.376 58.589 0.787 1
1 1173 . 14 1 1 A 95 95 LYS CB C 95 31.083 32.243 -1.160 1
1 1177 . 14 1 1 A 96 96 THR H H 96 7.773 7.688 0.085 1
1 1178 . 14 1 1 A 96 96 THR HA H 96 3.798 4.227 -0.429 1
1 1183 . 14 1 1 A 96 96 THR C C 96 171.850 176.980 -5.130 1
1 1184 . 14 1 1 A 96 96 THR CA C 96 64.506 66.339 -1.833 1
1 1185 . 14 1 1 A 96 96 THR CB C 96 68.405 69.239 -0.834 1
1 1187 . 14 1 1 A 96 96 THR N N 96 113.841 114.556 -0.715 1
1 1188 . 14 1 1 A 97 97 THR H H 97 6.795 7.717 -0.922 1
1 1189 . 14 1 1 A 97 97 THR HA H 97 3.604 4.396 -0.792 1
1 1194 . 14 1 1 A 97 97 THR C C 97 171.959 176.446 -4.487 1
1 1195 . 14 1 1 A 97 97 THR CA C 97 61.209 63.818 -2.609 1
1 1196 . 14 1 1 A 97 97 THR CB C 97 67.962 69.089 -1.127 1
1 1198 . 14 1 1 A 97 97 THR N N 97 105.731 112.526 -6.795 1
1 1199 . 14 1 1 A 98 98 PHE H H 98 7.410 8.163 -0.753 1
1 1200 . 14 1 1 A 98 98 PHE HA H 98 4.220 4.048 0.172 1
1 1207 . 14 1 1 A 98 98 PHE C C 98 174.528 177.479 -2.951 1
1 1208 . 14 1 1 A 98 98 PHE CA C 98 61.879 61.632 0.247 1
1 1209 . 14 1 1 A 98 98 PHE CB C 98 38.875 39.158 -0.283 1
1 1214 . 14 1 1 A 98 98 PHE N N 98 126.402 123.771 2.631 1
1 1215 . 14 1 1 A 99 99 LYS H H 99 9.459 8.154 1.305 1
1 1216 . 14 1 1 A 99 99 LYS HA H 99 4.089 3.435 0.654 1
1 1225 . 14 1 1 A 99 99 LYS CA C 99 60.763 61.274 -0.511 1
1 1226 . 14 1 1 A 99 99 LYS CB C 99 28.635 31.067 -2.432 1
1 1230 . 14 1 1 A 99 99 LYS N N 99 121.490 117.755 3.735 1
1 1231 . 14 1 1 A 100 100 PRO HA H 100 4.922 4.583 0.339 1
1 1238 . 14 1 1 A 100 100 PRO C C 100 177.314 179.019 -1.705 1
1 1239 . 14 1 1 A 100 100 PRO CA C 100 66.173 65.532 0.641 1
1 1240 . 14 1 1 A 100 100 PRO CB C 100 31.535 30.583 0.952 1
1 1243 . 14 1 1 A 101 101 ASN H H 101 8.530 8.353 0.177 1
1 1244 . 14 1 1 A 101 101 ASN HA H 101 5.244 4.488 0.756 1
1 1249 . 14 1 1 A 101 101 ASN C C 101 175.204 177.713 -2.509 1
1 1250 . 14 1 1 A 101 101 ASN CA C 101 54.555 55.837 -1.282 1
1 1251 . 14 1 1 A 101 101 ASN CB C 101 36.187 38.078 -1.891 1
1 1252 . 14 1 1 A 101 101 ASN N N 101 115.238 115.617 -0.379 1
1 1254 . 14 1 1 A 102 102 THR H H 102 8.488 7.648 0.840 1
1 1255 . 14 1 1 A 102 102 THR HA H 102 4.184 4.021 0.163 1
1 1260 . 14 1 1 A 102 102 THR C C 102 171.472 175.727 -4.255 1
1 1261 . 14 1 1 A 102 102 THR CA C 102 67.543 65.189 2.354 1
1 1262 . 14 1 1 A 102 102 THR CB C 102 67.001 68.323 -1.322 1
1 1264 . 14 1 1 A 102 102 THR N N 102 120.254 112.010 8.244 1
1 1265 . 14 1 1 A 103 103 TRP H H 103 7.283 7.723 -0.440 1
1 1266 . 14 1 1 A 103 103 TRP HA H 103 3.986 4.569 -0.583 1
1 1275 . 14 1 1 A 103 103 TRP C C 103 175.800 177.145 -1.345 1
1 1276 . 14 1 1 A 103 103 TRP CA C 103 60.856 58.307 2.549 1
1 1277 . 14 1 1 A 103 103 TRP CB C 103 27.948 28.417 -0.469 1
1 1283 . 14 1 1 A 103 103 TRP N N 103 121.763 121.055 0.708 1
1 1285 . 14 1 1 A 104 104 CYS H H 104 8.233 7.809 0.424 1
1 1286 . 14 1 1 A 104 104 CYS HA H 104 4.272 4.454 -0.182 1
1 1289 . 14 1 1 A 104 104 CYS C C 104 176.259 176.455 -0.196 1
1 1290 . 14 1 1 A 104 104 CYS CA C 104 65.226 60.983 4.243 1
1 1291 . 14 1 1 A 104 104 CYS CB C 104 26.949 28.367 -1.418 1
1 1292 . 14 1 1 A 104 104 CYS N N 104 118.046 118.328 -0.282 1
1 1293 . 14 1 1 A 105 105 LEU H H 105 8.726 7.929 0.797 1
1 1294 . 14 1 1 A 105 105 LEU HA H 105 4.000 3.893 0.107 1
1 1304 . 14 1 1 A 105 105 LEU C C 105 176.205 178.876 -2.671 1
1 1305 . 14 1 1 A 105 105 LEU CA C 105 57.810 58.082 -0.272 1
1 1306 . 14 1 1 A 105 105 LEU CB C 105 40.484 41.497 -1.013 1
1 1310 . 14 1 1 A 105 105 LEU N N 105 120.557 120.744 -0.187 1
1 1311 . 14 1 1 A 106 106 ARG H H 106 6.990 8.086 -1.096 1
1 1312 . 14 1 1 A 106 106 ARG HA H 106 2.054 2.455 -0.401 1
1 1319 . 14 1 1 A 106 106 ARG C C 106 177.179 176.955 0.224 1
1 1320 . 14 1 1 A 106 106 ARG CA C 106 57.405 57.718 -0.313 1
1 1321 . 14 1 1 A 106 106 ARG CB C 106 29.269 29.269 0.000 1
1 1324 . 14 1 1 A 106 106 ARG N N 106 118.050 117.556 0.494 1
1 1325 . 14 1 1 A 107 107 CYS H H 107 7.623 7.955 -0.332 1
1 1326 . 14 1 1 A 107 107 CYS HA H 107 4.031 4.427 -0.396 1
1 1329 . 14 1 1 A 107 107 CYS C C 107 172.337 176.347 -4.010 1
1 1330 . 14 1 1 A 107 107 CYS CA C 107 63.291 60.857 2.434 1
1 1331 . 14 1 1 A 107 107 CYS CB C 107 26.214 27.698 -1.484 1
1 1332 . 14 1 1 A 107 107 CYS N N 107 117.028 117.580 -0.552 1
1 1333 . 14 1 1 A 108 108 LEU H H 108 7.484 7.519 -0.035 1
1 1334 . 14 1 1 A 108 108 LEU HA H 108 4.159 4.276 -0.117 1
1 1344 . 14 1 1 A 108 108 LEU C C 108 174.582 177.557 -2.975 1
1 1345 . 14 1 1 A 108 108 LEU CA C 108 54.203 56.289 -2.086 1
1 1346 . 14 1 1 A 108 108 LEU CB C 108 41.621 42.622 -1.001 1
1 1350 . 14 1 1 A 108 108 LEU N N 108 117.680 117.978 -0.298 1
1 1351 . 14 1 1 A 109 109 TRP H H 109 7.427 7.460 -0.033 1
1 1352 . 14 1 1 A 109 109 TRP HA H 109 4.828 4.994 -0.166 1
1 1361 . 14 1 1 A 109 109 TRP C C 109 173.176 176.860 -3.684 1
1 1362 . 14 1 1 A 109 109 TRP CA C 109 56.353 58.117 -1.764 1
1 1363 . 14 1 1 A 109 109 TRP CB C 109 29.743 30.304 -0.561 1
1 1369 . 14 1 1 A 109 109 TRP N N 109 119.087 120.829 -1.742 1
1 1371 . 14 1 1 A 110 110 SER H H 110 8.199 9.094 -0.895 1
1 1372 . 14 1 1 A 110 110 SER HA H 110 4.688 5.191 -0.503 1
1 1375 . 14 1 1 A 110 110 SER C C 110 171.769 173.271 -1.502 1
1 1376 . 14 1 1 A 110 110 SER CA C 110 56.324 57.263 -0.939 1
1 1377 . 14 1 1 A 110 110 SER CB C 110 64.513 66.371 -1.858 1
1 1378 . 14 1 1 A 110 110 SER N N 110 115.602 116.514 -0.912 1
1 1379 . 14 1 1 A 111 111 THR H H 111 8.268 8.613 -0.345 1
1 1380 . 14 1 1 A 111 111 THR HA H 111 4.425 4.705 -0.280 1
1 1385 . 14 1 1 A 111 111 THR C C 111 171.526 174.234 -2.708 1
1 1386 . 14 1 1 A 111 111 THR CA C 111 60.861 61.441 -0.580 1
1 1387 . 14 1 1 A 111 111 THR CB C 111 69.202 68.878 0.324 1
1 1389 . 14 1 1 A 111 111 THR N N 111 114.394 116.133 -1.739 1
1 1390 . 14 1 1 A 112 112 LYS H H 112 8.240 8.234 0.006 1
1 1391 . 14 1 1 A 112 112 LYS HA H 112 4.530 4.892 -0.362 1
1 1400 . 14 1 1 A 112 112 LYS CA C 112 53.768 53.379 0.389 1
1 1401 . 14 1 1 A 112 112 LYS CB C 112 32.067 33.565 -1.498 1
1 1405 . 14 1 1 A 112 112 LYS N N 112 125.207 126.138 -0.931 1
1 1406 . 14 1 1 A 113 113 PRO HA H 113 4.380 4.609 -0.229 1
1 1413 . 14 1 1 A 113 113 PRO C C 113 174.095 175.954 -1.859 1
1 1414 . 14 1 1 A 113 113 PRO CA C 113 62.381 62.605 -0.224 1
1 1415 . 14 1 1 A 113 113 PRO CB C 113 31.408 31.911 -0.503 1
1 1418 . 14 1 1 A 114 114 VAL H H 114 8.195 8.533 -0.338 1
1 1419 . 14 1 1 A 114 114 VAL HA H 114 4.029 4.363 -0.334 1
1 1427 . 14 1 1 A 114 114 VAL C C 114 173.122 175.337 -2.215 1
1 1428 . 14 1 1 A 114 114 VAL CA C 114 61.335 61.152 0.183 1
1 1429 . 14 1 1 A 114 114 VAL CB C 114 32.153 32.813 -0.660 1
1 1432 . 14 1 1 A 114 114 VAL N N 114 120.113 122.823 -2.710 1
1 1433 . 14 1 1 A 115 115 ASP H H 115 8.345 8.234 0.111 1
1 1434 . 14 1 1 A 115 115 ASP HA H 115 4.592 4.374 0.218 1
1 1437 . 14 1 1 A 115 115 ASP C C 115 172.608 175.797 -3.189 1
1 1438 . 14 1 1 A 115 115 ASP CA C 115 53.202 55.389 -2.187 1
1 1439 . 14 1 1 A 115 115 ASP CB C 115 40.552 39.551 1.001 1
1 1440 . 14 1 1 A 115 115 ASP N N 115 123.853 123.775 0.078 1
1 1 . 15 1 1 A 2 2 TYR HA H 2 4.617 5.115 -0.498 1
1 7 . 15 1 1 A 2 2 TYR C C 2 172.716 174.335 -1.619 1
1 8 . 15 1 1 A 2 2 TYR CA C 2 56.943 57.863 -0.920 1
1 9 . 15 1 1 A 2 2 TYR CB C 2 38.050 42.033 -3.983 1
1 14 . 15 1 1 A 2 2 TYR N N 2 121.461 122.218 -0.757 1
1 15 . 15 1 1 A 3 3 THR H H 3 7.984 7.748 0.236 1
1 16 . 15 1 1 A 3 3 THR HA H 3 4.684 4.529 0.155 1
1 21 . 15 1 1 A 3 3 THR C C 3 170.931 173.780 -2.849 1
1 22 . 15 1 1 A 3 3 THR CA C 3 60.870 61.306 -0.436 1
1 23 . 15 1 1 A 3 3 THR CB C 3 69.270 70.430 -1.160 1
1 25 . 15 1 1 A 3 3 THR N N 3 117.624 117.298 0.326 1
1 26 . 15 1 1 A 4 4 GLU H H 4 8.290 7.255 1.035 1
1 27 . 15 1 1 A 4 4 GLU HA H 4 4.183 3.746 0.437 1
1 32 . 15 1 1 A 4 4 GLU C C 4 173.013 175.295 -2.282 1
1 33 . 15 1 1 A 4 4 GLU CA C 4 55.876 57.060 -1.184 1
1 34 . 15 1 1 A 4 4 GLU CB C 4 29.779 28.245 1.534 1
1 36 . 15 1 1 A 4 4 GLU N N 4 123.377 120.775 2.602 1
1 37 . 15 1 1 A 5 5 GLN H H 5 8.329 7.569 0.760 1
1 38 . 15 1 1 A 5 5 GLN HA H 5 4.392 4.389 0.003 1
1 43 . 15 1 1 A 5 5 GLN CA C 5 52.634 54.211 -1.577 1
1 44 . 15 1 1 A 5 5 GLN CB C 5 28.759 28.078 0.681 1
1 46 . 15 1 1 A 5 5 GLN N N 5 122.599 118.722 3.877 1
1 47 . 15 1 1 A 6 6 PRO HA H 6 4.323 4.809 -0.486 1
1 54 . 15 1 1 A 6 6 PRO C C 6 173.636 176.003 -2.367 1
1 55 . 15 1 1 A 6 6 PRO CA C 6 62.080 62.437 -0.357 1
1 56 . 15 1 1 A 6 6 PRO CB C 6 30.785 32.463 -1.678 1
1 59 . 15 1 1 A 7 7 ILE H H 7 8.160 8.096 0.064 1
1 60 . 15 1 1 A 7 7 ILE HA H 7 3.871 4.248 -0.377 1
1 70 . 15 1 1 A 7 7 ILE C C 7 172.770 175.994 -3.224 1
1 71 . 15 1 1 A 7 7 ILE CA C 7 60.589 60.765 -0.176 1
1 72 . 15 1 1 A 7 7 ILE CB C 7 38.318 36.110 2.208 1
1 76 . 15 1 1 A 7 7 ILE N N 7 121.913 121.592 0.321 1
1 77 . 15 1 1 A 8 8 ASP H H 8 8.126 8.432 -0.306 1
1 78 . 15 1 1 A 8 8 ASP HA H 8 4.584 4.101 0.483 1
1 81 . 15 1 1 A 8 8 ASP C C 8 171.742 175.084 -3.342 1
1 82 . 15 1 1 A 8 8 ASP CA C 8 53.265 55.446 -2.181 1
1 83 . 15 1 1 A 8 8 ASP CB C 8 39.521 39.787 -0.266 1
1 84 . 15 1 1 A 8 8 ASP N N 8 124.858 125.780 -0.922 1
1 85 . 15 1 1 A 9 9 LEU H H 9 7.374 7.832 -0.458 1
1 86 . 15 1 1 A 9 9 LEU HA H 9 4.506 4.636 -0.130 1
1 96 . 15 1 1 A 9 9 LEU C C 9 174.041 175.667 -1.626 1
1 97 . 15 1 1 A 9 9 LEU CA C 9 53.779 54.431 -0.652 1
1 98 . 15 1 1 A 9 9 LEU CB C 9 43.411 43.078 0.333 1
1 102 . 15 1 1 A 9 9 LEU N N 9 122.151 119.605 2.546 1
1 103 . 15 1 1 A 10 10 VAL H H 10 8.827 8.808 0.019 1
1 104 . 15 1 1 A 10 10 VAL HA H 10 4.841 4.991 -0.150 1
1 112 . 15 1 1 A 10 10 VAL CA C 10 57.706 58.091 -0.385 1
1 113 . 15 1 1 A 10 10 VAL CB C 10 33.895 34.659 -0.764 1
1 116 . 15 1 1 A 10 10 VAL N N 10 120.738 120.851 -0.113 1
1 117 . 15 1 1 A 11 11 PRO HA H 11 4.766 5.038 -0.272 1
1 124 . 15 1 1 A 11 11 PRO C C 11 173.149 175.108 -1.959 1
1 125 . 15 1 1 A 11 11 PRO CA C 11 62.417 62.831 -0.414 1
1 126 . 15 1 1 A 11 11 PRO CB C 11 32.119 33.295 -1.176 1
1 129 . 15 1 1 A 12 12 THR H H 12 7.408 8.380 -0.972 1
1 130 . 15 1 1 A 12 12 THR HA H 12 4.280 4.844 -0.564 1
1 135 . 15 1 1 A 12 12 THR C C 12 166.981 172.003 -5.022 1
1 136 . 15 1 1 A 12 12 THR CA C 12 59.142 60.349 -1.207 1
1 137 . 15 1 1 A 12 12 THR CB C 12 68.812 69.902 -1.090 1
1 139 . 15 1 1 A 12 12 THR N N 12 115.177 116.295 -1.118 1
1 140 . 15 1 1 A 13 13 GLN H H 13 7.953 8.688 -0.735 1
1 141 . 15 1 1 A 13 13 GLN HA H 13 5.073 4.798 0.275 1
1 146 . 15 1 1 A 13 13 GLN CA C 13 52.836 52.489 0.347 1
1 147 . 15 1 1 A 13 13 GLN CB C 13 28.566 31.786 -3.220 1
1 149 . 15 1 1 A 13 13 GLN N N 13 113.324 120.983 -7.659 1
1 150 . 15 1 1 A 14 14 PRO HA H 14 4.340 4.507 -0.167 1
1 157 . 15 1 1 A 14 14 PRO C C 14 173.392 176.730 -3.338 1
1 158 . 15 1 1 A 14 14 PRO CA C 14 62.498 62.464 0.034 1
1 159 . 15 1 1 A 14 14 PRO CB C 14 31.565 32.295 -0.730 1
1 162 . 15 1 1 A 15 15 LEU H H 15 8.764 8.428 0.336 1
1 163 . 15 1 1 A 15 15 LEU HA H 15 4.511 4.582 -0.071 1
1 173 . 15 1 1 A 15 15 LEU CA C 15 52.597 53.352 -0.755 1
1 174 . 15 1 1 A 15 15 LEU CB C 15 40.769 41.077 -0.308 1
1 178 . 15 1 1 A 15 15 LEU N N 15 124.665 123.340 1.325 1
1 179 . 15 1 1 A 16 16 PRO HA H 16 4.325 4.441 -0.116 1
1 186 . 15 1 1 A 16 16 PRO CA C 16 63.358 63.425 -0.067 1
1 187 . 15 1 1 A 16 16 PRO CB C 16 31.187 32.272 -1.085 1
1 190 . 15 1 1 A 17 17 ASN H H 17 8.682 8.936 -0.254 1
1 191 . 15 1 1 A 17 17 ASN HA H 17 4.586 4.557 0.029 1
1 196 . 15 1 1 A 17 17 ASN C C 17 174.691 175.132 -0.441 1
1 197 . 15 1 1 A 17 17 ASN CA C 17 52.745 54.217 -1.472 1
1 198 . 15 1 1 A 17 17 ASN CB C 17 36.762 36.427 0.335 1
1 199 . 15 1 1 A 17 17 ASN N N 17 114.315 120.773 -6.458 1
1 201 . 15 1 1 A 18 18 ALA H H 18 7.283 7.853 -0.570 1
1 202 . 15 1 1 A 18 18 ALA HA H 18 4.569 4.412 0.157 1
1 206 . 15 1 1 A 18 18 ALA C C 18 174.041 176.927 -2.886 1
1 207 . 15 1 1 A 18 18 ALA CA C 18 51.618 53.244 -1.626 1
1 208 . 15 1 1 A 18 18 ALA CB C 18 20.698 19.868 0.830 1
1 209 . 15 1 1 A 18 18 ALA N N 18 121.620 124.189 -2.569 1
1 210 . 15 1 1 A 19 19 SER H H 19 8.744 9.177 -0.433 1
1 211 . 15 1 1 A 19 19 SER HA H 19 4.479 4.412 0.067 1
1 214 . 15 1 1 A 19 19 SER C C 19 169.984 172.131 -2.147 1
1 215 . 15 1 1 A 19 19 SER CA C 19 56.634 56.779 -0.145 1
1 216 . 15 1 1 A 19 19 SER CB C 19 65.044 65.981 -0.937 1
1 217 . 15 1 1 A 19 19 SER N N 19 113.995 115.261 -1.266 1
1 218 . 15 1 1 A 20 20 PHE H H 20 7.753 7.629 0.124 1
1 219 . 15 1 1 A 20 20 PHE HA H 20 3.514 3.887 -0.373 1
1 226 . 15 1 1 A 20 20 PHE C C 20 172.635 174.497 -1.862 1
1 227 . 15 1 1 A 20 20 PHE CA C 20 58.070 59.135 -1.065 1
1 228 . 15 1 1 A 20 20 PHE CB C 20 37.588 39.189 -1.601 1
1 233 . 15 1 1 A 20 20 PHE N N 20 124.690 123.299 1.391 1
1 234 . 15 1 1 A 21 21 ASP H H 21 8.288 8.446 -0.158 1
1 235 . 15 1 1 A 21 21 ASP HA H 21 4.351 4.469 -0.118 1
1 238 . 15 1 1 A 21 21 ASP CA C 21 51.826 52.600 -0.774 1
1 239 . 15 1 1 A 21 21 ASP CB C 21 38.598 43.110 -4.512 1
1 240 . 15 1 1 A 21 21 ASP N N 21 127.080 127.745 -0.665 1
1 241 . 15 1 1 A 22 22 ASN HA H 22 3.766 4.658 -0.892 1
1 246 . 15 1 1 A 22 22 ASN C C 22 171.688 174.515 -2.827 1
1 247 . 15 1 1 A 22 22 ASN CA C 22 54.954 52.543 2.411 1
1 248 . 15 1 1 A 22 22 ASN CB C 22 37.641 38.620 -0.979 1
1 250 . 15 1 1 A 23 23 PHE H H 23 5.484 7.154 -1.670 1
1 251 . 15 1 1 A 23 23 PHE HA H 23 4.804 4.625 0.179 1
1 259 . 15 1 1 A 23 23 PHE C C 23 169.768 175.003 -5.235 1
1 260 . 15 1 1 A 23 23 PHE CA C 23 54.649 57.118 -2.469 1
1 261 . 15 1 1 A 23 23 PHE CB C 23 39.850 39.739 0.111 1
1 267 . 15 1 1 A 23 23 PHE N N 23 112.858 117.538 -4.680 1
1 268 . 15 1 1 A 24 24 LYS H H 24 8.329 9.102 -0.773 1
1 269 . 15 1 1 A 24 24 LYS HA H 24 3.719 3.988 -0.269 1
1 278 . 15 1 1 A 24 24 LYS C C 24 171.959 176.407 -4.448 1
1 279 . 15 1 1 A 24 24 LYS CA C 24 53.756 55.579 -1.823 1
1 280 . 15 1 1 A 24 24 LYS CB C 24 36.279 32.932 3.347 1
1 284 . 15 1 1 A 24 24 LYS N N 24 119.724 123.939 -4.215 1
1 285 . 15 1 1 A 25 25 LEU H H 25 9.144 8.472 0.672 1
1 286 . 15 1 1 A 25 25 LEU HA H 25 5.462 5.135 0.327 1
1 296 . 15 1 1 A 25 25 LEU C C 25 174.609 176.042 -1.433 1
1 297 . 15 1 1 A 25 25 LEU CA C 25 53.208 52.972 0.236 1
1 298 . 15 1 1 A 25 25 LEU CB C 25 41.419 44.106 -2.687 1
1 302 . 15 1 1 A 25 25 LEU N N 25 126.849 121.470 5.379 1
1 303 . 15 1 1 A 26 26 THR H H 26 8.956 9.084 -0.128 1
1 304 . 15 1 1 A 26 26 THR HA H 26 4.471 5.350 -0.879 1
1 309 . 15 1 1 A 26 26 THR C C 26 169.524 173.086 -3.562 1
1 310 . 15 1 1 A 26 26 THR CA C 26 58.769 59.626 -0.857 1
1 311 . 15 1 1 A 26 26 THR CB C 26 69.971 72.090 -2.119 1
1 313 . 15 1 1 A 26 26 THR N N 26 113.907 112.641 1.266 1
1 314 . 15 1 1 A 27 27 CYS H H 27 8.507 8.689 -0.182 1
1 315 . 15 1 1 A 27 27 CYS HA H 27 4.509 4.825 -0.316 1
1 318 . 15 1 1 A 27 27 CYS C C 27 169.984 175.036 -5.052 1
1 319 . 15 1 1 A 27 27 CYS CA C 27 57.948 57.914 0.034 1
1 320 . 15 1 1 A 27 27 CYS CB C 27 29.529 32.119 -2.590 1
1 321 . 15 1 1 A 27 27 CYS N N 27 120.842 118.936 1.906 1
1 322 . 15 1 1 A 28 28 SER H H 28 9.044 8.545 0.499 1
1 323 . 15 1 1 A 28 28 SER HA H 28 4.140 4.147 -0.007 1
1 326 . 15 1 1 A 28 28 SER C C 28 172.716 174.483 -1.767 1
1 327 . 15 1 1 A 28 28 SER CA C 28 60.986 61.636 -0.650 1
1 328 . 15 1 1 A 28 28 SER CB C 28 61.437 62.269 -0.832 1
1 329 . 15 1 1 A 28 28 SER N N 28 124.898 117.745 7.153 1
1 330 . 15 1 1 A 29 29 ASN H H 29 7.825 7.891 -0.066 1
1 331 . 15 1 1 A 29 29 ASN HA H 29 4.951 4.776 0.175 1
1 336 . 15 1 1 A 29 29 ASN C C 29 171.688 175.971 -4.283 1
1 337 . 15 1 1 A 29 29 ASN CA C 29 52.155 53.185 -1.030 1
1 338 . 15 1 1 A 29 29 ASN CB C 29 36.980 39.771 -2.791 1
1 339 . 15 1 1 A 29 29 ASN N N 29 121.001 119.550 1.451 1
1 341 . 15 1 1 A 30 30 THR H H 30 8.062 8.814 -0.752 1
1 342 . 15 1 1 A 30 30 THR HA H 30 3.901 3.986 -0.085 1
1 347 . 15 1 1 A 30 30 THR C C 30 173.338 176.756 -3.418 1
1 348 . 15 1 1 A 30 30 THR CA C 30 64.874 66.468 -1.594 1
1 349 . 15 1 1 A 30 30 THR CB C 30 67.715 68.554 -0.839 1
1 351 . 15 1 1 A 30 30 THR N N 30 119.799 119.589 0.210 1
1 352 . 15 1 1 A 31 31 LYS H H 31 8.015 7.845 0.170 1
1 353 . 15 1 1 A 31 31 LYS HA H 31 4.119 4.079 0.040 1
1 362 . 15 1 1 A 31 31 LYS C C 31 174.231 178.587 -4.356 1
1 363 . 15 1 1 A 31 31 LYS CA C 31 58.286 59.577 -1.291 1
1 364 . 15 1 1 A 31 31 LYS CB C 31 31.547 32.610 -1.063 1
1 368 . 15 1 1 A 31 31 LYS N N 31 122.845 122.358 0.487 1
1 369 . 15 1 1 A 32 32 PHE H H 32 7.739 8.336 -0.597 1
1 370 . 15 1 1 A 32 32 PHE HA H 32 4.652 4.325 0.327 1
1 378 . 15 1 1 A 32 32 PHE C C 32 174.691 177.868 -3.177 1
1 379 . 15 1 1 A 32 32 PHE CA C 32 59.954 61.806 -1.852 1
1 380 . 15 1 1 A 32 32 PHE CB C 32 38.444 39.289 -0.845 1
1 386 . 15 1 1 A 32 32 PHE N N 32 120.100 121.012 -0.912 1
1 387 . 15 1 1 A 33 33 ALA H H 33 6.955 8.710 -1.755 1
1 388 . 15 1 1 A 33 33 ALA HA H 33 3.555 4.206 -0.651 1
1 392 . 15 1 1 A 33 33 ALA C C 33 175.502 179.733 -4.231 1
1 393 . 15 1 1 A 33 33 ALA CA C 33 54.703 54.990 -0.287 1
1 394 . 15 1 1 A 33 33 ALA CB C 33 17.085 18.243 -1.158 1
1 395 . 15 1 1 A 33 33 ALA N N 33 116.140 121.189 -5.049 1
1 396 . 15 1 1 A 34 34 ASP H H 34 8.795 8.038 0.757 1
1 397 . 15 1 1 A 34 34 ASP HA H 34 4.367 4.481 -0.114 1
1 400 . 15 1 1 A 34 34 ASP C C 34 176.854 178.313 -1.459 1
1 401 . 15 1 1 A 34 34 ASP CA C 34 56.911 57.005 -0.094 1
1 402 . 15 1 1 A 34 34 ASP CB C 34 39.495 40.911 -1.416 1
1 403 . 15 1 1 A 34 34 ASP N N 34 118.170 118.604 -0.434 1
1 404 . 15 1 1 A 35 35 ASP H H 35 8.791 8.736 0.055 1
1 405 . 15 1 1 A 35 35 ASP HA H 35 4.360 4.367 -0.007 1
1 408 . 15 1 1 A 35 35 ASP C C 35 177.233 178.703 -1.470 1
1 409 . 15 1 1 A 35 35 ASP CA C 35 56.890 57.436 -0.546 1
1 410 . 15 1 1 A 35 35 ASP CB C 35 39.291 40.713 -1.422 1
1 411 . 15 1 1 A 35 35 ASP N N 35 121.921 119.154 2.767 1
1 412 . 15 1 1 A 36 36 LEU H H 36 7.792 8.012 -0.220 1
1 413 . 15 1 1 A 36 36 LEU HA H 36 4.162 4.066 0.096 1
1 423 . 15 1 1 A 36 36 LEU C C 36 176.097 179.030 -2.933 1
1 424 . 15 1 1 A 36 36 LEU CA C 36 57.508 57.510 -0.002 1
1 425 . 15 1 1 A 36 36 LEU CB C 36 41.523 41.602 -0.079 1
1 429 . 15 1 1 A 36 36 LEU N N 36 121.822 120.740 1.082 1
1 430 . 15 1 1 A 37 37 ASN H H 37 9.015 8.197 0.818 1
1 431 . 15 1 1 A 37 37 ASN HA H 37 4.733 4.766 -0.033 1
1 436 . 15 1 1 A 37 37 ASN C C 37 176.232 177.962 -1.730 1
1 437 . 15 1 1 A 37 37 ASN CA C 37 54.288 56.410 -2.122 1
1 438 . 15 1 1 A 37 37 ASN CB C 37 37.337 38.186 -0.849 1
1 439 . 15 1 1 A 37 37 ASN N N 37 116.904 116.839 0.065 1
1 441 . 15 1 1 A 38 38 GLN H H 38 8.218 7.639 0.579 1
1 442 . 15 1 1 A 38 38 GLN HA H 38 4.074 4.184 -0.110 1
1 447 . 15 1 1 A 38 38 GLN C C 38 175.773 178.996 -3.223 1
1 448 . 15 1 1 A 38 38 GLN CA C 38 58.134 58.438 -0.304 1
1 449 . 15 1 1 A 38 38 GLN CB C 38 27.676 27.781 -0.105 1
1 451 . 15 1 1 A 38 38 GLN N N 38 121.443 119.844 1.599 1
1 452 . 15 1 1 A 39 39 MET H H 39 7.487 8.105 -0.618 1
1 453 . 15 1 1 A 39 39 MET HA H 39 3.967 4.264 -0.297 1
1 461 . 15 1 1 A 39 39 MET C C 39 176.259 178.025 -1.766 1
1 462 . 15 1 1 A 39 39 MET CA C 39 58.374 58.086 0.288 1
1 463 . 15 1 1 A 39 39 MET CB C 39 33.000 33.892 -0.892 1
1 466 . 15 1 1 A 39 39 MET N N 39 118.793 119.519 -0.726 1
1 467 . 15 1 1 A 40 40 THR H H 40 7.873 7.444 0.429 1
1 468 . 15 1 1 A 40 40 THR HA H 40 3.769 3.989 -0.220 1
1 473 . 15 1 1 A 40 40 THR C C 40 173.906 175.792 -1.886 1
1 474 . 15 1 1 A 40 40 THR CA C 40 61.739 62.831 -1.092 1
1 475 . 15 1 1 A 40 40 THR CB C 40 68.427 69.784 -1.357 1
1 477 . 15 1 1 A 40 40 THR N N 40 108.945 108.696 0.249 1
1 478 . 15 1 1 A 41 41 GLY H H 41 7.199 7.565 -0.366 1
1 479 . 15 1 1 A 41 41 GLY HA2 H 41 3.899 3.928 -0.029 1
1 480 . 15 1 1 A 41 41 GLY HA3 H 41 3.662 3.938 -0.276 1
1 481 . 15 1 1 A 41 41 GLY C C 41 171.661 174.490 -2.829 1
1 482 . 15 1 1 A 41 41 GLY CA C 41 44.926 45.870 -0.944 1
1 483 . 15 1 1 A 41 41 GLY N N 41 106.430 111.824 -5.394 1
1 484 . 15 1 1 A 42 42 PHE H H 42 7.876 7.909 -0.033 1
1 485 . 15 1 1 A 42 42 PHE HA H 42 4.682 4.661 0.021 1
1 493 . 15 1 1 A 42 42 PHE C C 42 171.499 174.857 -3.358 1
1 494 . 15 1 1 A 42 42 PHE CA C 42 57.793 59.249 -1.456 1
1 495 . 15 1 1 A 42 42 PHE CB C 42 39.422 39.823 -0.401 1
1 501 . 15 1 1 A 42 42 PHE N N 42 122.221 121.387 0.834 1
1 502 . 15 1 1 A 43 43 THR H H 43 8.418 8.352 0.066 1
1 503 . 15 1 1 A 43 43 THR HA H 43 3.665 4.144 -0.479 1
1 508 . 15 1 1 A 43 43 THR C C 43 168.767 173.615 -4.848 1
1 509 . 15 1 1 A 43 43 THR CA C 43 59.002 60.616 -1.614 1
1 510 . 15 1 1 A 43 43 THR CB C 43 70.919 71.804 -0.885 1
1 512 . 15 1 1 A 43 43 THR N N 43 123.470 122.387 1.083 1
1 513 . 15 1 1 A 44 44 LYS H H 44 7.999 8.134 -0.135 1
1 514 . 15 1 1 A 44 44 LYS HA H 44 3.924 4.486 -0.562 1
1 523 . 15 1 1 A 44 44 LYS CA C 44 54.785 55.014 -0.229 1
1 524 . 15 1 1 A 44 44 LYS CB C 44 31.047 31.460 -0.413 1
1 528 . 15 1 1 A 44 44 LYS N N 44 124.728 126.756 -2.028 1
1 529 . 15 1 1 A 45 45 PRO HA H 45 4.581 4.539 0.042 1
1 536 . 15 1 1 A 45 45 PRO C C 45 172.770 176.956 -4.186 1
1 537 . 15 1 1 A 45 45 PRO CA C 45 60.970 62.651 -1.681 1
1 538 . 15 1 1 A 45 45 PRO CB C 45 33.754 32.480 1.274 1
1 541 . 15 1 1 A 46 46 ALA H H 46 8.715 8.505 0.210 1
1 542 . 15 1 1 A 46 46 ALA HA H 46 4.674 4.526 0.148 1
1 546 . 15 1 1 A 46 46 ALA C C 46 175.827 178.429 -2.602 1
1 547 . 15 1 1 A 46 46 ALA CA C 46 50.851 52.531 -1.680 1
1 548 . 15 1 1 A 46 46 ALA CB C 46 20.458 19.388 1.070 1
1 549 . 15 1 1 A 46 46 ALA N N 46 123.249 124.829 -1.580 1
1 550 . 15 1 1 A 47 47 SER H H 47 8.518 8.908 -0.390 1
1 551 . 15 1 1 A 47 47 SER HA H 47 4.202 4.437 -0.235 1
1 554 . 15 1 1 A 47 47 SER C C 47 171.769 174.753 -2.984 1
1 555 . 15 1 1 A 47 47 SER CA C 47 58.740 60.736 -1.996 1
1 556 . 15 1 1 A 47 47 SER CB C 47 62.419 63.804 -1.385 1
1 557 . 15 1 1 A 47 47 SER N N 47 117.696 117.508 0.188 1
1 558 . 15 1 1 A 48 48 ARG H H 48 7.276 7.266 0.010 1
1 559 . 15 1 1 A 48 48 ARG HA H 48 4.466 4.808 -0.342 1
1 566 . 15 1 1 A 48 48 ARG C C 48 170.417 173.738 -3.321 1
1 567 . 15 1 1 A 48 48 ARG CA C 48 54.164 54.671 -0.507 1
1 568 . 15 1 1 A 48 48 ARG CB C 48 29.775 33.571 -3.796 1
1 571 . 15 1 1 A 48 48 ARG N N 48 115.830 116.563 -0.733 1
1 572 . 15 1 1 A 49 49 GLU H H 49 8.681 8.833 -0.152 1
1 573 . 15 1 1 A 49 49 GLU HA H 49 5.373 5.173 0.200 1
1 578 . 15 1 1 A 49 49 GLU C C 49 172.716 175.429 -2.713 1
1 579 . 15 1 1 A 49 49 GLU CA C 49 53.744 55.371 -1.627 1
1 580 . 15 1 1 A 49 49 GLU CB C 49 32.057 31.187 0.870 1
1 582 . 15 1 1 A 49 49 GLU N N 49 119.800 118.917 0.883 1
1 583 . 15 1 1 A 50 50 LEU H H 50 8.720 8.849 -0.129 1
1 584 . 15 1 1 A 50 50 LEU HA H 50 4.821 4.370 0.451 1
1 594 . 15 1 1 A 50 50 LEU C C 50 171.932 175.521 -3.589 1
1 595 . 15 1 1 A 50 50 LEU CA C 50 52.447 54.767 -2.320 1
1 596 . 15 1 1 A 50 50 LEU CB C 50 44.748 42.239 2.509 1
1 600 . 15 1 1 A 50 50 LEU N N 50 124.747 126.418 -1.671 1
1 601 . 15 1 1 A 51 51 SER H H 51 9.560 8.464 1.096 1
1 602 . 15 1 1 A 51 51 SER HA H 51 4.881 5.422 -0.541 1
1 605 . 15 1 1 A 51 51 SER C C 51 171.769 173.019 -1.250 1
1 606 . 15 1 1 A 51 51 SER CA C 51 55.707 57.282 -1.575 1
1 607 . 15 1 1 A 51 51 SER CB C 51 64.701 66.520 -1.819 1
1 608 . 15 1 1 A 51 51 SER N N 51 119.156 115.590 3.566 1
1 609 . 15 1 1 A 52 52 VAL H H 52 8.416 8.563 -0.147 1
1 610 . 15 1 1 A 52 52 VAL HA H 52 5.196 4.966 0.230 1
1 618 . 15 1 1 A 52 52 VAL CA C 52 59.207 61.662 -2.455 1
1 619 . 15 1 1 A 52 52 VAL CB C 52 33.156 33.223 -0.067 1
1 622 . 15 1 1 A 52 52 VAL N N 52 121.797 125.539 -3.742 1
1 623 . 15 1 1 A 53 53 THR H H 53 8.383 8.944 -0.561 1
1 624 . 15 1 1 A 53 53 THR HA H 53 4.358 4.850 -0.492 1
1 629 . 15 1 1 A 53 53 THR C C 53 169.741 172.621 -2.880 1
1 630 . 15 1 1 A 53 53 THR CA C 53 58.375 60.310 -1.935 1
1 631 . 15 1 1 A 53 53 THR CB C 53 70.707 71.422 -0.715 1
1 633 . 15 1 1 A 53 53 THR N N 53 117.287 116.469 0.818 1
1 634 . 15 1 1 A 54 54 PHE H H 54 8.737 8.816 -0.079 1
1 635 . 15 1 1 A 54 54 PHE HA H 54 4.536 4.774 -0.238 1
1 643 . 15 1 1 A 54 54 PHE C C 54 172.986 175.429 -2.443 1
1 644 . 15 1 1 A 54 54 PHE CA C 54 57.064 56.088 0.976 1
1 645 . 15 1 1 A 54 54 PHE CB C 54 38.755 39.600 -0.845 1
1 651 . 15 1 1 A 54 54 PHE N N 54 118.180 124.329 -6.149 1
1 652 . 15 1 1 A 55 55 PHE H H 55 9.167 8.811 0.356 1
1 653 . 15 1 1 A 55 55 PHE HA H 55 3.715 4.532 -0.817 1
1 660 . 15 1 1 A 55 55 PHE CA C 55 57.908 57.090 0.818 1
1 661 . 15 1 1 A 55 55 PHE CB C 55 39.594 38.791 0.803 1
1 666 . 15 1 1 A 55 55 PHE N N 55 128.290 124.327 3.963 1
1 667 . 15 1 1 A 56 56 PRO HA H 56 2.356 3.706 -1.350 1
1 674 . 15 1 1 A 56 56 PRO C C 56 171.012 174.863 -3.851 1
1 675 . 15 1 1 A 56 56 PRO CA C 56 62.611 61.946 0.665 1
1 676 . 15 1 1 A 56 56 PRO CB C 56 32.522 31.177 1.345 1
1 679 . 15 1 1 A 57 57 ASP H H 57 9.009 8.345 0.664 1
1 680 . 15 1 1 A 57 57 ASP HA H 57 4.289 4.880 -0.591 1
1 683 . 15 1 1 A 57 57 ASP C C 57 173.257 174.062 -0.805 1
1 684 . 15 1 1 A 57 57 ASP CA C 57 53.752 53.499 0.253 1
1 685 . 15 1 1 A 57 57 ASP CB C 57 40.067 44.347 -4.280 1
1 686 . 15 1 1 A 57 57 ASP N N 57 127.876 122.260 5.616 1
1 687 . 15 1 1 A 58 58 LEU H H 58 8.368 8.576 -0.208 1
1 688 . 15 1 1 A 58 58 LEU HA H 58 4.229 4.895 -0.666 1
1 698 . 15 1 1 A 58 58 LEU C C 58 174.285 177.303 -3.018 1
1 699 . 15 1 1 A 58 58 LEU CA C 58 52.468 53.392 -0.924 1
1 700 . 15 1 1 A 58 58 LEU CB C 58 40.258 41.753 -1.495 1
1 704 . 15 1 1 A 58 58 LEU N N 58 128.010 122.027 5.983 1
1 705 . 15 1 1 A 59 59 ASN H H 59 8.430 8.224 0.206 1
1 706 . 15 1 1 A 59 59 ASN HA H 59 4.198 4.660 -0.462 1
1 711 . 15 1 1 A 59 59 ASN C C 59 173.636 176.076 -2.440 1
1 712 . 15 1 1 A 59 59 ASN CA C 59 54.945 54.650 0.295 1
1 713 . 15 1 1 A 59 59 ASN CB C 59 38.175 39.101 -0.926 1
1 714 . 15 1 1 A 59 59 ASN N N 59 116.745 118.283 -1.538 1
1 716 . 15 1 1 A 60 60 GLY H H 60 8.083 7.614 0.469 1
1 717 . 15 1 1 A 60 60 GLY HA2 H 60 3.766 4.006 -0.240 1
1 718 . 15 1 1 A 60 60 GLY HA3 H 60 3.326 4.012 -0.686 1
1 719 . 15 1 1 A 60 60 GLY C C 60 169.876 174.694 -4.818 1
1 720 . 15 1 1 A 60 60 GLY CA C 60 44.285 44.812 -0.527 1
1 721 . 15 1 1 A 60 60 GLY N N 60 110.045 107.776 2.269 1
1 722 . 15 1 1 A 61 61 ASP H H 61 8.084 8.872 -0.788 1
1 723 . 15 1 1 A 61 61 ASP HA H 61 4.200 4.509 -0.309 1
1 726 . 15 1 1 A 61 61 ASP C C 61 172.283 175.374 -3.091 1
1 727 . 15 1 1 A 61 61 ASP CA C 61 56.865 55.639 1.226 1
1 728 . 15 1 1 A 61 61 ASP CB C 61 42.113 41.038 1.075 1
1 729 . 15 1 1 A 61 61 ASP N N 61 121.395 120.614 0.781 1
1 730 . 15 1 1 A 62 62 VAL H H 62 8.387 7.655 0.732 1
1 731 . 15 1 1 A 62 62 VAL HA H 62 4.096 4.665 -0.569 1
1 739 . 15 1 1 A 62 62 VAL C C 62 171.255 174.345 -3.090 1
1 740 . 15 1 1 A 62 62 VAL CA C 62 58.914 60.497 -1.583 1
1 741 . 15 1 1 A 62 62 VAL CB C 62 34.433 35.480 -1.047 1
1 744 . 15 1 1 A 62 62 VAL N N 62 117.701 117.297 0.404 1
1 745 . 15 1 1 A 63 63 VAL H H 63 8.251 8.606 -0.355 1
1 746 . 15 1 1 A 63 63 VAL HA H 63 4.637 5.082 -0.445 1
1 754 . 15 1 1 A 63 63 VAL C C 63 171.282 174.345 -3.063 1
1 755 . 15 1 1 A 63 63 VAL CA C 63 59.233 59.920 -0.687 1
1 756 . 15 1 1 A 63 63 VAL CB C 63 33.531 35.830 -2.299 1
1 759 . 15 1 1 A 63 63 VAL N N 63 125.341 125.186 0.155 1
1 760 . 15 1 1 A 64 64 ALA H H 64 9.316 8.970 0.346 1
1 761 . 15 1 1 A 64 64 ALA HA H 64 5.036 5.441 -0.405 1
1 765 . 15 1 1 A 64 64 ALA C C 64 173.825 175.511 -1.686 1
1 766 . 15 1 1 A 64 64 ALA CA C 64 49.059 50.290 -1.231 1
1 767 . 15 1 1 A 64 64 ALA CB C 64 20.323 23.534 -3.211 1
1 768 . 15 1 1 A 64 64 ALA N N 64 128.526 124.606 3.920 1
1 769 . 15 1 1 A 65 65 ILE H H 65 9.451 9.179 0.272 1
1 770 . 15 1 1 A 65 65 ILE HA H 65 4.475 4.869 -0.394 1
1 780 . 15 1 1 A 65 65 ILE C C 65 172.121 174.406 -2.285 1
1 781 . 15 1 1 A 65 65 ILE CA C 65 56.490 59.493 -3.003 1
1 782 . 15 1 1 A 65 65 ILE CB C 65 37.474 41.572 -4.098 1
1 786 . 15 1 1 A 65 65 ILE N N 65 126.677 120.289 6.388 1
1 787 . 15 1 1 A 66 66 ASP H H 66 9.165 8.764 0.401 1
1 788 . 15 1 1 A 66 66 ASP HA H 66 4.045 4.680 -0.635 1
1 791 . 15 1 1 A 66 66 ASP C C 66 174.663 177.043 -2.380 1
1 792 . 15 1 1 A 66 66 ASP CA C 66 54.199 54.412 -0.213 1
1 793 . 15 1 1 A 66 66 ASP CB C 66 42.211 42.981 -0.770 1
1 794 . 15 1 1 A 66 66 ASP N N 66 128.723 126.111 2.612 1
1 795 . 15 1 1 A 67 67 TYR H H 67 8.919 9.276 -0.357 1
1 796 . 15 1 1 A 67 67 TYR HA H 67 4.344 4.188 0.156 1
1 801 . 15 1 1 A 67 67 TYR C C 67 173.257 177.403 -4.146 1
1 802 . 15 1 1 A 67 67 TYR CA C 67 59.614 61.741 -2.127 1
1 803 . 15 1 1 A 67 67 TYR CB C 67 39.338 38.939 0.399 1
1 806 . 15 1 1 A 67 67 TYR N N 67 127.739 128.183 -0.444 1
1 807 . 15 1 1 A 68 68 ARG H H 68 9.459 7.835 1.624 1
1 808 . 15 1 1 A 68 68 ARG HA H 68 3.923 4.224 -0.301 1
1 815 . 15 1 1 A 68 68 ARG C C 68 174.150 177.443 -3.293 1
1 816 . 15 1 1 A 68 68 ARG CA C 68 57.691 58.440 -0.749 1
1 817 . 15 1 1 A 68 68 ARG CB C 68 27.945 30.053 -2.108 1
1 820 . 15 1 1 A 68 68 ARG N N 68 121.666 118.377 3.289 1
1 821 . 15 1 1 A 69 69 HIS H H 69 8.146 8.170 -0.024 1
1 822 . 15 1 1 A 69 69 HIS HA H 69 4.538 4.883 -0.345 1
1 826 . 15 1 1 A 69 69 HIS C C 69 171.391 174.598 -3.207 1
1 827 . 15 1 1 A 69 69 HIS CA C 69 55.405 55.879 -0.474 1
1 828 . 15 1 1 A 69 69 HIS CB C 69 29.458 30.755 -1.297 1
1 830 . 15 1 1 A 69 69 HIS N N 69 117.372 114.809 2.563 1
1 831 . 15 1 1 A 70 70 TYR H H 70 7.468 7.632 -0.164 1
1 832 . 15 1 1 A 70 70 TYR HA H 70 3.431 3.346 0.085 1
1 839 . 15 1 1 A 70 70 TYR C C 70 171.904 174.173 -2.269 1
1 840 . 15 1 1 A 70 70 TYR CA C 70 60.020 55.359 4.661 1
1 841 . 15 1 1 A 70 70 TYR CB C 70 37.554 35.646 1.908 1
1 846 . 15 1 1 A 70 70 TYR N N 70 121.636 122.101 -0.465 1
1 847 . 15 1 1 A 71 71 SER H H 71 5.657 8.770 -3.113 1
1 848 . 15 1 1 A 71 71 SER HA H 71 3.958 4.184 -0.226 1
1 851 . 15 1 1 A 71 71 SER C C 71 170.390 174.946 -4.556 1
1 852 . 15 1 1 A 71 71 SER CA C 71 55.267 59.005 -3.738 1
1 853 . 15 1 1 A 71 71 SER CB C 71 64.410 63.861 0.549 1
1 854 . 15 1 1 A 71 71 SER N N 71 120.240 121.865 -1.625 1
1 855 . 15 1 1 A 72 72 ALA H H 72 8.461 8.869 -0.408 1
1 856 . 15 1 1 A 72 72 ALA HA H 72 3.757 4.004 -0.247 1
1 860 . 15 1 1 A 72 72 ALA CA C 72 54.250 54.040 0.210 1
1 861 . 15 1 1 A 72 72 ALA CB C 72 17.423 18.406 -0.983 1
1 862 . 15 1 1 A 72 72 ALA N N 72 123.497 126.991 -3.494 1
1 863 . 15 1 1 A 73 73 SER HA H 73 3.904 3.890 0.014 1
1 866 . 15 1 1 A 73 73 SER C C 73 172.500 175.556 -3.056 1
1 867 . 15 1 1 A 73 73 SER CA C 73 59.873 62.215 -2.342 1
1 868 . 15 1 1 A 73 73 SER CB C 73 61.769 62.571 -0.802 1
1 869 . 15 1 1 A 74 74 PHE H H 74 7.508 7.581 -0.073 1
1 870 . 15 1 1 A 74 74 PHE HA H 74 5.163 4.824 0.339 1
1 877 . 15 1 1 A 74 74 PHE C C 74 173.987 176.176 -2.189 1
1 878 . 15 1 1 A 74 74 PHE CA C 74 53.320 57.668 -4.348 1
1 879 . 15 1 1 A 74 74 PHE CB C 74 37.854 38.770 -0.916 1
1 884 . 15 1 1 A 74 74 PHE N N 74 118.853 116.396 2.457 1
1 885 . 15 1 1 A 75 75 LYS H H 75 7.245 7.917 -0.672 1
1 886 . 15 1 1 A 75 75 LYS HA H 75 4.200 4.018 0.182 1
1 895 . 15 1 1 A 75 75 LYS C C 75 173.717 177.352 -3.635 1
1 896 . 15 1 1 A 75 75 LYS CA C 75 59.003 60.255 -1.252 1
1 897 . 15 1 1 A 75 75 LYS CB C 75 31.846 32.149 -0.303 1
1 901 . 15 1 1 A 75 75 LYS N N 75 121.129 122.098 -0.969 1
1 902 . 15 1 1 A 76 76 LYS H H 76 7.841 7.705 0.136 1
1 903 . 15 1 1 A 76 76 LYS HA H 76 3.738 2.543 1.195 1
1 912 . 15 1 1 A 76 76 LYS C C 76 170.200 175.582 -5.382 1
1 913 . 15 1 1 A 76 76 LYS CA C 76 55.114 55.049 0.065 1
1 914 . 15 1 1 A 76 76 LYS CB C 76 32.393 32.397 -0.004 1
1 918 . 15 1 1 A 76 76 LYS N N 76 114.423 116.140 -1.717 1
1 919 . 15 1 1 A 77 77 GLY H H 77 7.239 7.472 -0.233 1
1 920 . 15 1 1 A 77 77 GLY HA2 H 77 3.737 3.977 -0.240 1
1 921 . 15 1 1 A 77 77 GLY HA3 H 77 4.771 3.990 0.781 1
1 922 . 15 1 1 A 77 77 GLY C C 77 170.795 172.006 -1.211 1
1 923 . 15 1 1 A 77 77 GLY CA C 77 43.770 43.846 -0.076 1
1 924 . 15 1 1 A 77 77 GLY N N 77 103.318 106.902 -3.584 1
1 925 . 15 1 1 A 78 78 ALA H H 78 6.868 8.157 -1.289 1
1 926 . 15 1 1 A 78 78 ALA HA H 78 4.982 5.023 -0.041 1
1 930 . 15 1 1 A 78 78 ALA C C 78 171.904 175.295 -3.391 1
1 931 . 15 1 1 A 78 78 ALA CA C 78 49.907 51.252 -1.345 1
1 932 . 15 1 1 A 78 78 ALA CB C 78 22.601 23.119 -0.518 1
1 933 . 15 1 1 A 78 78 ALA N N 78 117.057 120.687 -3.630 1
1 934 . 15 1 1 A 79 79 LYS H H 79 8.765 8.782 -0.017 1
1 935 . 15 1 1 A 79 79 LYS HA H 79 4.636 5.008 -0.372 1
1 944 . 15 1 1 A 79 79 LYS C C 79 171.039 174.395 -3.356 1
1 945 . 15 1 1 A 79 79 LYS CA C 79 54.485 54.491 -0.006 1
1 946 . 15 1 1 A 79 79 LYS CB C 79 35.963 36.199 -0.236 1
1 950 . 15 1 1 A 79 79 LYS N N 79 117.018 115.606 1.412 1
1 951 . 15 1 1 A 80 80 LEU H H 80 8.782 8.866 -0.084 1
1 952 . 15 1 1 A 80 80 LEU HA H 80 4.459 4.498 -0.039 1
1 962 . 15 1 1 A 80 80 LEU C C 80 173.095 177.855 -4.760 1
1 963 . 15 1 1 A 80 80 LEU CA C 80 52.743 53.208 -0.465 1
1 964 . 15 1 1 A 80 80 LEU CB C 80 42.494 44.148 -1.654 1
1 968 . 15 1 1 A 80 80 LEU N N 80 122.496 123.056 -0.560 1
1 969 . 15 1 1 A 81 81 LEU H H 81 8.636 8.686 -0.050 1
1 970 . 15 1 1 A 81 81 LEU HA H 81 3.578 4.190 -0.612 1
1 980 . 15 1 1 A 81 81 LEU CA C 81 57.316 58.774 -1.458 1
1 981 . 15 1 1 A 81 81 LEU CB C 81 39.032 42.251 -3.219 1
1 985 . 15 1 1 A 81 81 LEU N N 81 125.060 125.752 -0.692 1
1 986 . 15 1 1 A 82 82 HIS H H 82 8.379 7.568 0.811 1
1 987 . 15 1 1 A 82 82 HIS HA H 82 4.551 4.777 -0.226 1
1 992 . 15 1 1 A 82 82 HIS C C 82 172.635 173.930 -1.295 1
1 993 . 15 1 1 A 82 82 HIS CA C 82 55.432 55.179 0.253 1
1 994 . 15 1 1 A 82 82 HIS CB C 82 29.646 31.739 -2.093 1
1 997 . 15 1 1 A 82 82 HIS N N 82 114.387 111.339 3.048 1
1 998 . 15 1 1 A 83 83 LYS H H 83 8.023 7.596 0.427 1
1 999 . 15 1 1 A 83 83 LYS HA H 83 4.670 4.419 0.251 1
1 1008 . 15 1 1 A 83 83 LYS CA C 83 52.041 52.986 -0.945 1
1 1009 . 15 1 1 A 83 83 LYS CB C 83 32.741 33.203 -0.462 1
1 1013 . 15 1 1 A 83 83 LYS N N 83 122.886 120.187 2.699 1
1 1014 . 15 1 1 A 84 84 PRO HA H 84 4.585 4.635 -0.050 1
1 1021 . 15 1 1 A 84 84 PRO C C 84 172.797 176.243 -3.446 1
1 1022 . 15 1 1 A 84 84 PRO CA C 84 62.050 62.307 -0.257 1
1 1023 . 15 1 1 A 84 84 PRO CB C 84 32.770 32.605 0.165 1
1 1026 . 15 1 1 A 85 85 ILE H H 85 6.185 8.129 -1.944 1
1 1027 . 15 1 1 A 85 85 ILE HA H 85 5.743 5.331 0.412 1
1 1037 . 15 1 1 A 85 85 ILE C C 85 174.366 174.246 0.120 1
1 1038 . 15 1 1 A 85 85 ILE CA C 85 57.032 58.443 -1.411 1
1 1039 . 15 1 1 A 85 85 ILE CB C 85 41.265 41.990 -0.725 1
1 1043 . 15 1 1 A 85 85 ILE N N 85 107.777 116.041 -8.264 1
1 1044 . 15 1 1 A 86 86 VAL H H 86 7.552 8.759 -1.207 1
1 1045 . 15 1 1 A 86 86 VAL HA H 86 4.278 4.825 -0.547 1
1 1053 . 15 1 1 A 86 86 VAL CA C 86 59.345 58.625 0.720 1
1 1054 . 15 1 1 A 86 86 VAL CB C 86 34.990 35.368 -0.378 1
1 1057 . 15 1 1 A 86 86 VAL N N 86 109.584 115.978 -6.394 1
1 1058 . 15 1 1 A 87 87 TRP H H 87 10.036 8.724 1.312 1
1 1059 . 15 1 1 A 87 87 TRP HA H 87 6.158 5.314 0.844 1
1 1068 . 15 1 1 A 87 87 TRP C C 87 174.393 176.341 -1.948 1
1 1069 . 15 1 1 A 87 87 TRP CA C 87 55.238 56.481 -1.243 1
1 1070 . 15 1 1 A 87 87 TRP CB C 87 32.786 30.088 2.698 1
1 1076 . 15 1 1 A 87 87 TRP N N 87 122.256 124.260 -2.004 1
1 1078 . 15 1 1 A 88 88 HIS H H 88 8.802 9.054 -0.252 1
1 1079 . 15 1 1 A 88 88 HIS HA H 88 5.383 5.566 -0.183 1
1 1085 . 15 1 1 A 88 88 HIS CA C 88 53.902 53.799 0.103 1
1 1086 . 15 1 1 A 88 88 HIS CB C 88 37.553 31.410 6.143 1
1 1089 . 15 1 1 A 88 88 HIS N N 88 116.636 120.999 -4.363 1
1 1090 . 15 1 1 A 89 89 ILE H H 89 9.197 8.755 0.442 1
1 1091 . 15 1 1 A 89 89 ILE HA H 89 4.022 4.370 -0.348 1
1 1101 . 15 1 1 A 89 89 ILE C C 89 174.582 176.584 -2.002 1
1 1102 . 15 1 1 A 89 89 ILE CA C 89 61.042 60.083 0.959 1
1 1103 . 15 1 1 A 89 89 ILE CB C 89 40.176 38.789 1.387 1
1 1107 . 15 1 1 A 89 89 ILE N N 89 118.669 123.284 -4.615 1
1 1108 . 15 1 1 A 90 90 ASN H H 90 9.688 9.026 0.662 1
1 1109 . 15 1 1 A 90 90 ASN HA H 90 4.281 4.411 -0.130 1
1 1114 . 15 1 1 A 90 90 ASN C C 90 171.418 174.280 -2.862 1
1 1115 . 15 1 1 A 90 90 ASN CA C 90 53.724 53.861 -0.137 1
1 1116 . 15 1 1 A 90 90 ASN CB C 90 36.919 36.087 0.832 1
1 1117 . 15 1 1 A 90 90 ASN N N 90 128.710 126.024 2.686 1
1 1119 . 15 1 1 A 91 91 GLN H H 91 10.928 7.945 2.983 1
1 1120 . 15 1 1 A 91 91 GLN HA H 91 2.586 3.017 -0.431 1
1 1127 . 15 1 1 A 91 91 GLN C C 91 170.146 174.142 -3.996 1
1 1128 . 15 1 1 A 91 91 GLN CA C 91 55.444 57.163 -1.719 1
1 1129 . 15 1 1 A 91 91 GLN CB C 91 23.948 26.706 -2.758 1
1 1131 . 15 1 1 A 91 91 GLN N N 91 112.871 111.792 1.079 1
1 1133 . 15 1 1 A 92 92 ALA H H 92 7.692 7.863 -0.171 1
1 1134 . 15 1 1 A 92 92 ALA HA H 92 4.979 5.112 -0.133 1
1 1138 . 15 1 1 A 92 92 ALA C C 92 174.068 175.262 -1.194 1
1 1139 . 15 1 1 A 92 92 ALA CA C 92 49.792 50.561 -0.769 1
1 1140 . 15 1 1 A 92 92 ALA CB C 92 21.832 23.204 -1.372 1
1 1141 . 15 1 1 A 92 92 ALA N N 92 118.287 120.438 -2.151 1
1 1142 . 15 1 1 A 93 93 THR H H 93 9.026 9.032 -0.006 1
1 1143 . 15 1 1 A 93 93 THR HA H 93 5.281 5.512 -0.231 1
1 1148 . 15 1 1 A 93 93 THR C C 93 170.768 173.219 -2.451 1
1 1149 . 15 1 1 A 93 93 THR CA C 93 58.597 59.995 -1.398 1
1 1150 . 15 1 1 A 93 93 THR CB C 93 70.855 72.326 -1.471 1
1 1152 . 15 1 1 A 93 93 THR N N 93 114.894 113.370 1.524 1
1 1153 . 15 1 1 A 94 94 THR H H 94 8.292 8.735 -0.443 1
1 1154 . 15 1 1 A 94 94 THR HA H 94 4.903 5.019 -0.116 1
1 1159 . 15 1 1 A 94 94 THR CA C 94 58.800 59.477 -0.677 1
1 1160 . 15 1 1 A 94 94 THR CB C 94 71.488 72.602 -1.114 1
1 1162 . 15 1 1 A 94 94 THR N N 94 119.907 118.140 1.767 1
1 1163 . 15 1 1 A 95 95 LYS HA H 95 4.056 4.164 -0.108 1
1 1172 . 15 1 1 A 95 95 LYS CA C 95 59.376 60.532 -1.156 1
1 1173 . 15 1 1 A 95 95 LYS CB C 95 31.083 32.163 -1.080 1
1 1177 . 15 1 1 A 96 96 THR H H 96 7.773 8.099 -0.326 1
1 1178 . 15 1 1 A 96 96 THR HA H 96 3.798 4.170 -0.372 1
1 1183 . 15 1 1 A 96 96 THR C C 96 171.850 176.458 -4.608 1
1 1184 . 15 1 1 A 96 96 THR CA C 96 64.506 66.580 -2.074 1
1 1185 . 15 1 1 A 96 96 THR CB C 96 68.405 68.160 0.245 1
1 1187 . 15 1 1 A 96 96 THR N N 96 113.841 118.073 -4.232 1
1 1188 . 15 1 1 A 97 97 THR H H 97 6.795 7.684 -0.889 1
1 1189 . 15 1 1 A 97 97 THR HA H 97 3.604 4.458 -0.854 1
1 1194 . 15 1 1 A 97 97 THR C C 97 171.959 176.394 -4.435 1
1 1195 . 15 1 1 A 97 97 THR CA C 97 61.209 63.611 -2.402 1
1 1196 . 15 1 1 A 97 97 THR CB C 97 67.962 69.396 -1.434 1
1 1198 . 15 1 1 A 97 97 THR N N 97 105.731 111.375 -5.644 1
1 1199 . 15 1 1 A 98 98 PHE H H 98 7.410 8.582 -1.172 1
1 1200 . 15 1 1 A 98 98 PHE HA H 98 4.220 4.121 0.099 1
1 1207 . 15 1 1 A 98 98 PHE C C 98 174.528 177.229 -2.701 1
1 1208 . 15 1 1 A 98 98 PHE CA C 98 61.879 61.638 0.241 1
1 1209 . 15 1 1 A 98 98 PHE CB C 98 38.875 39.046 -0.171 1
1 1214 . 15 1 1 A 98 98 PHE N N 98 126.402 124.100 2.302 1
1 1215 . 15 1 1 A 99 99 LYS H H 99 9.459 7.980 1.479 1
1 1216 . 15 1 1 A 99 99 LYS HA H 99 4.089 3.410 0.679 1
1 1225 . 15 1 1 A 99 99 LYS CA C 99 60.763 61.248 -0.485 1
1 1226 . 15 1 1 A 99 99 LYS CB C 99 28.635 30.758 -2.123 1
1 1230 . 15 1 1 A 99 99 LYS N N 99 121.490 117.707 3.783 1
1 1231 . 15 1 1 A 100 100 PRO HA H 100 4.922 4.570 0.352 1
1 1238 . 15 1 1 A 100 100 PRO C C 100 177.314 179.089 -1.775 1
1 1239 . 15 1 1 A 100 100 PRO CA C 100 66.173 65.547 0.626 1
1 1240 . 15 1 1 A 100 100 PRO CB C 100 31.535 30.809 0.726 1
1 1243 . 15 1 1 A 101 101 ASN H H 101 8.530 8.296 0.234 1
1 1244 . 15 1 1 A 101 101 ASN HA H 101 5.244 4.487 0.757 1
1 1249 . 15 1 1 A 101 101 ASN C C 101 175.204 177.812 -2.608 1
1 1250 . 15 1 1 A 101 101 ASN CA C 101 54.555 55.924 -1.369 1
1 1251 . 15 1 1 A 101 101 ASN CB C 101 36.187 37.959 -1.772 1
1 1252 . 15 1 1 A 101 101 ASN N N 101 115.238 115.953 -0.715 1
1 1254 . 15 1 1 A 102 102 THR H H 102 8.488 8.009 0.479 1
1 1255 . 15 1 1 A 102 102 THR HA H 102 4.184 3.977 0.207 1
1 1260 . 15 1 1 A 102 102 THR C C 102 171.472 177.042 -5.570 1
1 1261 . 15 1 1 A 102 102 THR CA C 102 67.543 65.582 1.961 1
1 1262 . 15 1 1 A 102 102 THR CB C 102 67.001 68.042 -1.041 1
1 1264 . 15 1 1 A 102 102 THR N N 102 120.254 111.722 8.532 1
1 1265 . 15 1 1 A 103 103 TRP H H 103 7.283 7.745 -0.462 1
1 1266 . 15 1 1 A 103 103 TRP HA H 103 3.986 4.299 -0.313 1
1 1275 . 15 1 1 A 103 103 TRP C C 103 175.800 178.682 -2.882 1
1 1276 . 15 1 1 A 103 103 TRP CA C 103 60.856 59.583 1.273 1
1 1277 . 15 1 1 A 103 103 TRP CB C 103 27.948 29.197 -1.249 1
1 1283 . 15 1 1 A 103 103 TRP N N 103 121.763 121.362 0.401 1
1 1285 . 15 1 1 A 104 104 CYS H H 104 8.233 7.882 0.351 1
1 1286 . 15 1 1 A 104 104 CYS HA H 104 4.272 4.022 0.250 1
1 1289 . 15 1 1 A 104 104 CYS C C 104 176.259 176.918 -0.659 1
1 1290 . 15 1 1 A 104 104 CYS CA C 104 65.226 62.274 2.952 1
1 1291 . 15 1 1 A 104 104 CYS CB C 104 26.949 26.903 0.046 1
1 1292 . 15 1 1 A 104 104 CYS N N 104 118.046 118.949 -0.903 1
1 1293 . 15 1 1 A 105 105 LEU H H 105 8.726 8.016 0.710 1
1 1294 . 15 1 1 A 105 105 LEU HA H 105 4.000 3.974 0.026 1
1 1304 . 15 1 1 A 105 105 LEU C C 105 176.205 178.877 -2.672 1
1 1305 . 15 1 1 A 105 105 LEU CA C 105 57.810 58.084 -0.274 1
1 1306 . 15 1 1 A 105 105 LEU CB C 105 40.484 41.238 -0.754 1
1 1310 . 15 1 1 A 105 105 LEU N N 105 120.557 120.946 -0.389 1
1 1311 . 15 1 1 A 106 106 ARG H H 106 6.990 7.711 -0.721 1
1 1312 . 15 1 1 A 106 106 ARG HA H 106 2.054 2.694 -0.640 1
1 1319 . 15 1 1 A 106 106 ARG C C 106 177.179 177.428 -0.249 1
1 1320 . 15 1 1 A 106 106 ARG CA C 106 57.405 57.832 -0.427 1
1 1321 . 15 1 1 A 106 106 ARG CB C 106 29.269 29.312 -0.043 1
1 1324 . 15 1 1 A 106 106 ARG N N 106 118.050 117.992 0.058 1
1 1325 . 15 1 1 A 107 107 CYS H H 107 7.623 7.601 0.022 1
1 1326 . 15 1 1 A 107 107 CYS HA H 107 4.031 4.364 -0.333 1
1 1329 . 15 1 1 A 107 107 CYS C C 107 172.337 176.827 -4.490 1
1 1330 . 15 1 1 A 107 107 CYS CA C 107 63.291 61.365 1.926 1
1 1331 . 15 1 1 A 107 107 CYS CB C 107 26.214 27.457 -1.243 1
1 1332 . 15 1 1 A 107 107 CYS N N 107 117.028 118.226 -1.198 1
1 1333 . 15 1 1 A 108 108 LEU H H 108 7.484 7.462 0.022 1
1 1334 . 15 1 1 A 108 108 LEU HA H 108 4.159 4.208 -0.049 1
1 1344 . 15 1 1 A 108 108 LEU C C 108 174.582 177.385 -2.803 1
1 1345 . 15 1 1 A 108 108 LEU CA C 108 54.203 55.767 -1.564 1
1 1346 . 15 1 1 A 108 108 LEU CB C 108 41.621 42.157 -0.536 1
1 1350 . 15 1 1 A 108 108 LEU N N 108 117.680 117.725 -0.045 1
1 1351 . 15 1 1 A 109 109 TRP H H 109 7.427 7.712 -0.285 1
1 1352 . 15 1 1 A 109 109 TRP HA H 109 4.828 5.059 -0.231 1
1 1361 . 15 1 1 A 109 109 TRP C C 109 173.176 176.854 -3.678 1
1 1362 . 15 1 1 A 109 109 TRP CA C 109 56.353 58.107 -1.754 1
1 1363 . 15 1 1 A 109 109 TRP CB C 109 29.743 30.346 -0.603 1
1 1369 . 15 1 1 A 109 109 TRP N N 109 119.087 121.233 -2.146 1
1 1371 . 15 1 1 A 110 110 SER H H 110 8.199 9.283 -1.084 1
1 1372 . 15 1 1 A 110 110 SER HA H 110 4.688 5.030 -0.342 1
1 1375 . 15 1 1 A 110 110 SER C C 110 171.769 173.125 -1.356 1
1 1376 . 15 1 1 A 110 110 SER CA C 110 56.324 57.239 -0.915 1
1 1377 . 15 1 1 A 110 110 SER CB C 110 64.513 66.007 -1.494 1
1 1378 . 15 1 1 A 110 110 SER N N 110 115.602 116.714 -1.112 1
1 1379 . 15 1 1 A 111 111 THR H H 111 8.268 8.722 -0.454 1
1 1380 . 15 1 1 A 111 111 THR HA H 111 4.425 4.508 -0.083 1
1 1385 . 15 1 1 A 111 111 THR C C 111 171.526 173.715 -2.189 1
1 1386 . 15 1 1 A 111 111 THR CA C 111 60.861 61.785 -0.924 1
1 1387 . 15 1 1 A 111 111 THR CB C 111 69.202 67.986 1.216 1
1 1389 . 15 1 1 A 111 111 THR N N 111 114.394 116.893 -2.499 1
1 1390 . 15 1 1 A 112 112 LYS H H 112 8.240 8.509 -0.269 1
1 1391 . 15 1 1 A 112 112 LYS HA H 112 4.530 4.938 -0.408 1
1 1400 . 15 1 1 A 112 112 LYS CA C 112 53.768 52.960 0.808 1
1 1401 . 15 1 1 A 112 112 LYS CB C 112 32.067 34.583 -2.516 1
1 1405 . 15 1 1 A 112 112 LYS N N 112 125.207 127.606 -2.399 1
1 1406 . 15 1 1 A 113 113 PRO HA H 113 4.380 4.743 -0.363 1
1 1413 . 15 1 1 A 113 113 PRO C C 113 174.095 175.838 -1.743 1
1 1414 . 15 1 1 A 113 113 PRO CA C 113 62.381 62.485 -0.104 1
1 1415 . 15 1 1 A 113 113 PRO CB C 113 31.408 33.356 -1.948 1
1 1418 . 15 1 1 A 114 114 VAL H H 114 8.195 8.197 -0.002 1
1 1419 . 15 1 1 A 114 114 VAL HA H 114 4.029 4.361 -0.332 1
1 1427 . 15 1 1 A 114 114 VAL C C 114 173.122 175.614 -2.492 1
1 1428 . 15 1 1 A 114 114 VAL CA C 114 61.335 60.803 0.532 1
1 1429 . 15 1 1 A 114 114 VAL CB C 114 32.153 31.917 0.236 1
1 1432 . 15 1 1 A 114 114 VAL N N 114 120.113 114.792 5.321 1
1 1433 . 15 1 1 A 115 115 ASP H H 115 8.345 8.267 0.078 1
1 1434 . 15 1 1 A 115 115 ASP HA H 115 4.592 4.911 -0.319 1
1 1437 . 15 1 1 A 115 115 ASP C C 115 172.608 175.351 -2.743 1
1 1438 . 15 1 1 A 115 115 ASP CA C 115 53.202 53.243 -0.041 1
1 1439 . 15 1 1 A 115 115 ASP CB C 115 40.552 42.212 -1.660 1
1 1440 . 15 1 1 A 115 115 ASP N N 115 123.853 122.137 1.716 1
1 1 . 16 1 1 A 2 2 TYR HA H 2 4.617 4.979 -0.362 1
1 7 . 16 1 1 A 2 2 TYR C C 2 172.716 174.503 -1.787 1
1 8 . 16 1 1 A 2 2 TYR CA C 2 56.943 57.864 -0.921 1
1 9 . 16 1 1 A 2 2 TYR CB C 2 38.050 42.947 -4.897 1
1 14 . 16 1 1 A 2 2 TYR N N 2 121.461 122.237 -0.776 1
1 15 . 16 1 1 A 3 3 THR H H 3 7.984 9.136 -1.152 1
1 16 . 16 1 1 A 3 3 THR HA H 3 4.684 4.779 -0.095 1
1 21 . 16 1 1 A 3 3 THR C C 3 170.931 173.880 -2.949 1
1 22 . 16 1 1 A 3 3 THR CA C 3 60.870 61.241 -0.371 1
1 23 . 16 1 1 A 3 3 THR CB C 3 69.270 68.998 0.272 1
1 25 . 16 1 1 A 3 3 THR N N 3 117.624 119.214 -1.590 1
1 26 . 16 1 1 A 4 4 GLU H H 4 8.290 7.828 0.462 1
1 27 . 16 1 1 A 4 4 GLU HA H 4 4.183 4.046 0.137 1
1 32 . 16 1 1 A 4 4 GLU C C 4 173.013 176.061 -3.048 1
1 33 . 16 1 1 A 4 4 GLU CA C 4 55.876 57.176 -1.300 1
1 34 . 16 1 1 A 4 4 GLU CB C 4 29.779 29.289 0.490 1
1 36 . 16 1 1 A 4 4 GLU N N 4 123.377 123.509 -0.132 1
1 37 . 16 1 1 A 5 5 GLN H H 5 8.329 8.460 -0.131 1
1 38 . 16 1 1 A 5 5 GLN HA H 5 4.392 4.411 -0.019 1
1 43 . 16 1 1 A 5 5 GLN CA C 5 52.634 55.695 -3.061 1
1 44 . 16 1 1 A 5 5 GLN CB C 5 28.759 28.111 0.648 1
1 46 . 16 1 1 A 5 5 GLN N N 5 122.599 126.018 -3.419 1
1 47 . 16 1 1 A 6 6 PRO HA H 6 4.323 4.504 -0.181 1
1 54 . 16 1 1 A 6 6 PRO C C 6 173.636 176.128 -2.492 1
1 55 . 16 1 1 A 6 6 PRO CA C 6 62.080 62.336 -0.256 1
1 56 . 16 1 1 A 6 6 PRO CB C 6 30.785 32.166 -1.381 1
1 59 . 16 1 1 A 7 7 ILE H H 7 8.160 8.156 0.004 1
1 60 . 16 1 1 A 7 7 ILE HA H 7 3.871 4.189 -0.318 1
1 70 . 16 1 1 A 7 7 ILE C C 7 172.770 176.487 -3.717 1
1 71 . 16 1 1 A 7 7 ILE CA C 7 60.589 60.760 -0.171 1
1 72 . 16 1 1 A 7 7 ILE CB C 7 38.318 36.325 1.993 1
1 76 . 16 1 1 A 7 7 ILE N N 7 121.913 121.538 0.375 1
1 77 . 16 1 1 A 8 8 ASP H H 8 8.126 8.518 -0.392 1
1 78 . 16 1 1 A 8 8 ASP HA H 8 4.584 4.186 0.398 1
1 81 . 16 1 1 A 8 8 ASP C C 8 171.742 175.849 -4.107 1
1 82 . 16 1 1 A 8 8 ASP CA C 8 53.265 55.306 -2.041 1
1 83 . 16 1 1 A 8 8 ASP CB C 8 39.521 39.882 -0.361 1
1 84 . 16 1 1 A 8 8 ASP N N 8 124.858 124.363 0.495 1
1 85 . 16 1 1 A 9 9 LEU H H 9 7.374 7.931 -0.557 1
1 86 . 16 1 1 A 9 9 LEU HA H 9 4.506 4.368 0.138 1
1 96 . 16 1 1 A 9 9 LEU C C 9 174.041 175.652 -1.611 1
1 97 . 16 1 1 A 9 9 LEU CA C 9 53.779 55.451 -1.672 1
1 98 . 16 1 1 A 9 9 LEU CB C 9 43.411 42.664 0.747 1
1 102 . 16 1 1 A 9 9 LEU N N 9 122.151 120.865 1.286 1
1 103 . 16 1 1 A 10 10 VAL H H 10 8.827 8.905 -0.078 1
1 104 . 16 1 1 A 10 10 VAL HA H 10 4.841 5.020 -0.179 1
1 112 . 16 1 1 A 10 10 VAL CA C 10 57.706 58.042 -0.336 1
1 113 . 16 1 1 A 10 10 VAL CB C 10 33.895 34.689 -0.794 1
1 116 . 16 1 1 A 10 10 VAL N N 10 120.738 120.274 0.464 1
1 117 . 16 1 1 A 11 11 PRO HA H 11 4.766 5.043 -0.277 1
1 124 . 16 1 1 A 11 11 PRO C C 11 173.149 175.096 -1.947 1
1 125 . 16 1 1 A 11 11 PRO CA C 11 62.417 62.618 -0.201 1
1 126 . 16 1 1 A 11 11 PRO CB C 11 32.119 33.291 -1.172 1
1 129 . 16 1 1 A 12 12 THR H H 12 7.408 8.619 -1.211 1
1 130 . 16 1 1 A 12 12 THR HA H 12 4.280 4.786 -0.506 1
1 135 . 16 1 1 A 12 12 THR C C 12 166.981 172.484 -5.503 1
1 136 . 16 1 1 A 12 12 THR CA C 12 59.142 59.926 -0.784 1
1 137 . 16 1 1 A 12 12 THR CB C 12 68.812 70.040 -1.228 1
1 139 . 16 1 1 A 12 12 THR N N 12 115.177 116.252 -1.075 1
1 140 . 16 1 1 A 13 13 GLN H H 13 7.953 8.803 -0.850 1
1 141 . 16 1 1 A 13 13 GLN HA H 13 5.073 5.016 0.057 1
1 146 . 16 1 1 A 13 13 GLN CA C 13 52.836 53.510 -0.674 1
1 147 . 16 1 1 A 13 13 GLN CB C 13 28.566 31.929 -3.363 1
1 149 . 16 1 1 A 13 13 GLN N N 13 113.324 118.928 -5.604 1
1 150 . 16 1 1 A 14 14 PRO HA H 14 4.340 4.484 -0.144 1
1 157 . 16 1 1 A 14 14 PRO C C 14 173.392 177.060 -3.668 1
1 158 . 16 1 1 A 14 14 PRO CA C 14 62.498 62.840 -0.342 1
1 159 . 16 1 1 A 14 14 PRO CB C 14 31.565 31.876 -0.311 1
1 162 . 16 1 1 A 15 15 LEU H H 15 8.764 8.368 0.396 1
1 163 . 16 1 1 A 15 15 LEU HA H 15 4.511 4.613 -0.102 1
1 173 . 16 1 1 A 15 15 LEU CA C 15 52.597 53.317 -0.720 1
1 174 . 16 1 1 A 15 15 LEU CB C 15 40.769 42.121 -1.352 1
1 178 . 16 1 1 A 15 15 LEU N N 15 124.665 119.066 5.599 1
1 179 . 16 1 1 A 16 16 PRO HA H 16 4.325 4.463 -0.138 1
1 186 . 16 1 1 A 16 16 PRO CA C 16 63.358 63.167 0.191 1
1 187 . 16 1 1 A 16 16 PRO CB C 16 31.187 32.466 -1.279 1
1 190 . 16 1 1 A 17 17 ASN H H 17 8.682 8.914 -0.232 1
1 191 . 16 1 1 A 17 17 ASN HA H 17 4.586 4.729 -0.143 1
1 196 . 16 1 1 A 17 17 ASN C C 17 174.691 174.799 -0.108 1
1 197 . 16 1 1 A 17 17 ASN CA C 17 52.745 54.470 -1.725 1
1 198 . 16 1 1 A 17 17 ASN CB C 17 36.762 36.462 0.300 1
1 199 . 16 1 1 A 17 17 ASN N N 17 114.315 120.413 -6.098 1
1 201 . 16 1 1 A 18 18 ALA H H 18 7.283 8.205 -0.922 1
1 202 . 16 1 1 A 18 18 ALA HA H 18 4.569 4.365 0.204 1
1 206 . 16 1 1 A 18 18 ALA C C 18 174.041 176.780 -2.739 1
1 207 . 16 1 1 A 18 18 ALA CA C 18 51.618 53.158 -1.540 1
1 208 . 16 1 1 A 18 18 ALA CB C 18 20.698 19.959 0.739 1
1 209 . 16 1 1 A 18 18 ALA N N 18 121.620 124.887 -3.267 1
1 210 . 16 1 1 A 19 19 SER H H 19 8.744 9.031 -0.287 1
1 211 . 16 1 1 A 19 19 SER HA H 19 4.479 4.543 -0.064 1
1 214 . 16 1 1 A 19 19 SER C C 19 169.984 172.141 -2.157 1
1 215 . 16 1 1 A 19 19 SER CA C 19 56.634 56.896 -0.262 1
1 216 . 16 1 1 A 19 19 SER CB C 19 65.044 66.050 -1.006 1
1 217 . 16 1 1 A 19 19 SER N N 19 113.995 113.493 0.502 1
1 218 . 16 1 1 A 20 20 PHE H H 20 7.753 7.789 -0.036 1
1 219 . 16 1 1 A 20 20 PHE HA H 20 3.514 4.100 -0.586 1
1 226 . 16 1 1 A 20 20 PHE C C 20 172.635 174.385 -1.750 1
1 227 . 16 1 1 A 20 20 PHE CA C 20 58.070 59.082 -1.012 1
1 228 . 16 1 1 A 20 20 PHE CB C 20 37.588 39.318 -1.730 1
1 233 . 16 1 1 A 20 20 PHE N N 20 124.690 123.554 1.136 1
1 234 . 16 1 1 A 21 21 ASP H H 21 8.288 7.887 0.401 1
1 235 . 16 1 1 A 21 21 ASP HA H 21 4.351 4.670 -0.319 1
1 238 . 16 1 1 A 21 21 ASP CA C 21 51.826 52.565 -0.739 1
1 239 . 16 1 1 A 21 21 ASP CB C 21 38.598 44.738 -6.140 1
1 240 . 16 1 1 A 21 21 ASP N N 21 127.080 126.900 0.180 1
1 241 . 16 1 1 A 22 22 ASN HA H 22 3.766 4.571 -0.805 1
1 246 . 16 1 1 A 22 22 ASN C C 22 171.688 175.081 -3.393 1
1 247 . 16 1 1 A 22 22 ASN CA C 22 54.954 54.005 0.949 1
1 248 . 16 1 1 A 22 22 ASN CB C 22 37.641 38.291 -0.650 1
1 250 . 16 1 1 A 23 23 PHE H H 23 5.484 7.694 -2.210 1
1 251 . 16 1 1 A 23 23 PHE HA H 23 4.804 4.565 0.239 1
1 259 . 16 1 1 A 23 23 PHE C C 23 169.768 174.957 -5.189 1
1 260 . 16 1 1 A 23 23 PHE CA C 23 54.649 57.623 -2.974 1
1 261 . 16 1 1 A 23 23 PHE CB C 23 39.850 39.480 0.370 1
1 267 . 16 1 1 A 23 23 PHE N N 23 112.858 118.802 -5.944 1
1 268 . 16 1 1 A 24 24 LYS H H 24 8.329 9.089 -0.760 1
1 269 . 16 1 1 A 24 24 LYS HA H 24 3.719 4.949 -1.230 1
1 278 . 16 1 1 A 24 24 LYS C C 24 171.959 175.638 -3.679 1
1 279 . 16 1 1 A 24 24 LYS CA C 24 53.756 54.380 -0.624 1
1 280 . 16 1 1 A 24 24 LYS CB C 24 36.279 35.285 0.994 1
1 284 . 16 1 1 A 24 24 LYS N N 24 119.724 122.224 -2.500 1
1 285 . 16 1 1 A 25 25 LEU H H 25 9.144 8.521 0.623 1
1 286 . 16 1 1 A 25 25 LEU HA H 25 5.462 5.532 -0.070 1
1 296 . 16 1 1 A 25 25 LEU C C 25 174.609 175.801 -1.192 1
1 297 . 16 1 1 A 25 25 LEU CA C 25 53.208 52.797 0.411 1
1 298 . 16 1 1 A 25 25 LEU CB C 25 41.419 46.096 -4.677 1
1 302 . 16 1 1 A 25 25 LEU N N 25 126.849 120.419 6.430 1
1 303 . 16 1 1 A 26 26 THR H H 26 8.956 8.846 0.110 1
1 304 . 16 1 1 A 26 26 THR HA H 26 4.471 5.198 -0.727 1
1 309 . 16 1 1 A 26 26 THR C C 26 169.524 173.223 -3.699 1
1 310 . 16 1 1 A 26 26 THR CA C 26 58.769 60.580 -1.811 1
1 311 . 16 1 1 A 26 26 THR CB C 26 69.971 72.281 -2.310 1
1 313 . 16 1 1 A 26 26 THR N N 26 113.907 110.397 3.510 1
1 314 . 16 1 1 A 27 27 CYS H H 27 8.507 8.441 0.066 1
1 315 . 16 1 1 A 27 27 CYS HA H 27 4.509 4.746 -0.237 1
1 318 . 16 1 1 A 27 27 CYS C C 27 169.984 173.976 -3.992 1
1 319 . 16 1 1 A 27 27 CYS CA C 27 57.948 57.988 -0.040 1
1 320 . 16 1 1 A 27 27 CYS CB C 27 29.529 30.400 -0.871 1
1 321 . 16 1 1 A 27 27 CYS N N 27 120.842 119.495 1.347 1
1 322 . 16 1 1 A 28 28 SER H H 28 9.044 8.597 0.447 1
1 323 . 16 1 1 A 28 28 SER HA H 28 4.140 4.191 -0.051 1
1 326 . 16 1 1 A 28 28 SER C C 28 172.716 175.099 -2.383 1
1 327 . 16 1 1 A 28 28 SER CA C 28 60.986 61.798 -0.812 1
1 328 . 16 1 1 A 28 28 SER CB C 28 61.437 62.870 -1.433 1
1 329 . 16 1 1 A 28 28 SER N N 28 124.898 118.763 6.135 1
1 330 . 16 1 1 A 29 29 ASN H H 29 7.825 7.814 0.011 1
1 331 . 16 1 1 A 29 29 ASN HA H 29 4.951 4.782 0.169 1
1 336 . 16 1 1 A 29 29 ASN C C 29 171.688 175.864 -4.176 1
1 337 . 16 1 1 A 29 29 ASN CA C 29 52.155 53.035 -0.880 1
1 338 . 16 1 1 A 29 29 ASN CB C 29 36.980 39.463 -2.483 1
1 339 . 16 1 1 A 29 29 ASN N N 29 121.001 117.619 3.382 1
1 341 . 16 1 1 A 30 30 THR H H 30 8.062 8.782 -0.720 1
1 342 . 16 1 1 A 30 30 THR HA H 30 3.901 3.993 -0.092 1
1 347 . 16 1 1 A 30 30 THR C C 30 173.338 176.792 -3.454 1
1 348 . 16 1 1 A 30 30 THR CA C 30 64.874 66.213 -1.339 1
1 349 . 16 1 1 A 30 30 THR CB C 30 67.715 68.566 -0.851 1
1 351 . 16 1 1 A 30 30 THR N N 30 119.799 119.478 0.321 1
1 352 . 16 1 1 A 31 31 LYS H H 31 8.015 7.734 0.281 1
1 353 . 16 1 1 A 31 31 LYS HA H 31 4.119 3.941 0.178 1
1 362 . 16 1 1 A 31 31 LYS C C 31 174.231 178.393 -4.162 1
1 363 . 16 1 1 A 31 31 LYS CA C 31 58.286 59.255 -0.969 1
1 364 . 16 1 1 A 31 31 LYS CB C 31 31.547 32.014 -0.467 1
1 368 . 16 1 1 A 31 31 LYS N N 31 122.845 122.259 0.586 1
1 369 . 16 1 1 A 32 32 PHE H H 32 7.739 8.500 -0.761 1
1 370 . 16 1 1 A 32 32 PHE HA H 32 4.652 4.263 0.389 1
1 378 . 16 1 1 A 32 32 PHE C C 32 174.691 176.987 -2.296 1
1 379 . 16 1 1 A 32 32 PHE CA C 32 59.954 61.892 -1.938 1
1 380 . 16 1 1 A 32 32 PHE CB C 32 38.444 39.394 -0.950 1
1 386 . 16 1 1 A 32 32 PHE N N 32 120.100 120.916 -0.816 1
1 387 . 16 1 1 A 33 33 ALA H H 33 6.955 8.002 -1.047 1
1 388 . 16 1 1 A 33 33 ALA HA H 33 3.555 4.062 -0.507 1
1 392 . 16 1 1 A 33 33 ALA C C 33 175.502 179.539 -4.037 1
1 393 . 16 1 1 A 33 33 ALA CA C 33 54.703 55.290 -0.587 1
1 394 . 16 1 1 A 33 33 ALA CB C 33 17.085 18.175 -1.090 1
1 395 . 16 1 1 A 33 33 ALA N N 33 116.140 120.967 -4.827 1
1 396 . 16 1 1 A 34 34 ASP H H 34 8.795 8.301 0.494 1
1 397 . 16 1 1 A 34 34 ASP HA H 34 4.367 4.346 0.021 1
1 400 . 16 1 1 A 34 34 ASP C C 34 176.854 177.814 -0.960 1
1 401 . 16 1 1 A 34 34 ASP CA C 34 56.911 57.424 -0.513 1
1 402 . 16 1 1 A 34 34 ASP CB C 34 39.495 41.324 -1.829 1
1 403 . 16 1 1 A 34 34 ASP N N 34 118.170 118.772 -0.602 1
1 404 . 16 1 1 A 35 35 ASP H H 35 8.791 8.486 0.305 1
1 405 . 16 1 1 A 35 35 ASP HA H 35 4.360 4.362 -0.002 1
1 408 . 16 1 1 A 35 35 ASP C C 35 177.233 178.575 -1.342 1
1 409 . 16 1 1 A 35 35 ASP CA C 35 56.890 57.723 -0.833 1
1 410 . 16 1 1 A 35 35 ASP CB C 35 39.291 41.541 -2.250 1
1 411 . 16 1 1 A 35 35 ASP N N 35 121.921 119.738 2.183 1
1 412 . 16 1 1 A 36 36 LEU H H 36 7.792 7.939 -0.147 1
1 413 . 16 1 1 A 36 36 LEU HA H 36 4.162 3.899 0.263 1
1 423 . 16 1 1 A 36 36 LEU C C 36 176.097 179.606 -3.509 1
1 424 . 16 1 1 A 36 36 LEU CA C 36 57.508 58.110 -0.602 1
1 425 . 16 1 1 A 36 36 LEU CB C 36 41.523 41.607 -0.084 1
1 429 . 16 1 1 A 36 36 LEU N N 36 121.822 119.902 1.920 1
1 430 . 16 1 1 A 37 37 ASN H H 37 9.015 8.486 0.529 1
1 431 . 16 1 1 A 37 37 ASN HA H 37 4.733 4.505 0.228 1
1 436 . 16 1 1 A 37 37 ASN C C 37 176.232 178.822 -2.590 1
1 437 . 16 1 1 A 37 37 ASN CA C 37 54.288 56.503 -2.215 1
1 438 . 16 1 1 A 37 37 ASN CB C 37 37.337 37.985 -0.648 1
1 439 . 16 1 1 A 37 37 ASN N N 37 116.904 117.648 -0.744 1
1 441 . 16 1 1 A 38 38 GLN H H 38 8.218 7.509 0.709 1
1 442 . 16 1 1 A 38 38 GLN HA H 38 4.074 4.219 -0.145 1
1 447 . 16 1 1 A 38 38 GLN C C 38 175.773 178.675 -2.902 1
1 448 . 16 1 1 A 38 38 GLN CA C 38 58.134 58.595 -0.461 1
1 449 . 16 1 1 A 38 38 GLN CB C 38 27.676 28.117 -0.441 1
1 451 . 16 1 1 A 38 38 GLN N N 38 121.443 120.913 0.530 1
1 452 . 16 1 1 A 39 39 MET H H 39 7.487 8.061 -0.574 1
1 453 . 16 1 1 A 39 39 MET HA H 39 3.967 4.325 -0.358 1
1 461 . 16 1 1 A 39 39 MET C C 39 176.259 176.597 -0.338 1
1 462 . 16 1 1 A 39 39 MET CA C 39 58.374 57.644 0.730 1
1 463 . 16 1 1 A 39 39 MET CB C 39 33.000 32.437 0.563 1
1 466 . 16 1 1 A 39 39 MET N N 39 118.793 119.864 -1.071 1
1 467 . 16 1 1 A 40 40 THR H H 40 7.873 7.814 0.059 1
1 468 . 16 1 1 A 40 40 THR HA H 40 3.769 4.446 -0.677 1
1 473 . 16 1 1 A 40 40 THR C C 40 173.906 174.599 -0.693 1
1 474 . 16 1 1 A 40 40 THR CA C 40 61.739 61.719 0.020 1
1 475 . 16 1 1 A 40 40 THR CB C 40 68.427 69.326 -0.899 1
1 477 . 16 1 1 A 40 40 THR N N 40 108.945 111.693 -2.748 1
1 478 . 16 1 1 A 41 41 GLY H H 41 7.199 7.631 -0.432 1
1 479 . 16 1 1 A 41 41 GLY HA2 H 41 3.899 3.865 0.034 1
1 480 . 16 1 1 A 41 41 GLY HA3 H 41 3.662 3.892 -0.230 1
1 481 . 16 1 1 A 41 41 GLY C C 41 171.661 174.868 -3.207 1
1 482 . 16 1 1 A 41 41 GLY CA C 41 44.926 46.419 -1.493 1
1 483 . 16 1 1 A 41 41 GLY N N 41 106.430 110.696 -4.266 1
1 484 . 16 1 1 A 42 42 PHE H H 42 7.876 8.225 -0.349 1
1 485 . 16 1 1 A 42 42 PHE HA H 42 4.682 4.707 -0.025 1
1 493 . 16 1 1 A 42 42 PHE C C 42 171.499 174.623 -3.124 1
1 494 . 16 1 1 A 42 42 PHE CA C 42 57.793 59.066 -1.273 1
1 495 . 16 1 1 A 42 42 PHE CB C 42 39.422 39.762 -0.340 1
1 501 . 16 1 1 A 42 42 PHE N N 42 122.221 120.788 1.433 1
1 502 . 16 1 1 A 43 43 THR H H 43 8.418 8.183 0.235 1
1 503 . 16 1 1 A 43 43 THR HA H 43 3.665 4.014 -0.349 1
1 508 . 16 1 1 A 43 43 THR C C 43 168.767 172.800 -4.033 1
1 509 . 16 1 1 A 43 43 THR CA C 43 59.002 60.352 -1.350 1
1 510 . 16 1 1 A 43 43 THR CB C 43 70.919 72.678 -1.759 1
1 512 . 16 1 1 A 43 43 THR N N 43 123.470 122.061 1.409 1
1 513 . 16 1 1 A 44 44 LYS H H 44 7.999 8.181 -0.182 1
1 514 . 16 1 1 A 44 44 LYS HA H 44 3.924 4.745 -0.821 1
1 523 . 16 1 1 A 44 44 LYS CA C 44 54.785 53.895 0.890 1
1 524 . 16 1 1 A 44 44 LYS CB C 44 31.047 31.860 -0.813 1
1 528 . 16 1 1 A 44 44 LYS N N 44 124.728 122.974 1.754 1
1 529 . 16 1 1 A 45 45 PRO HA H 45 4.581 4.544 0.037 1
1 536 . 16 1 1 A 45 45 PRO C C 45 172.770 177.094 -4.324 1
1 537 . 16 1 1 A 45 45 PRO CA C 45 60.970 62.563 -1.593 1
1 538 . 16 1 1 A 45 45 PRO CB C 45 33.754 32.513 1.241 1
1 541 . 16 1 1 A 46 46 ALA H H 46 8.715 8.490 0.225 1
1 542 . 16 1 1 A 46 46 ALA HA H 46 4.674 4.724 -0.050 1
1 546 . 16 1 1 A 46 46 ALA C C 46 175.827 178.469 -2.642 1
1 547 . 16 1 1 A 46 46 ALA CA C 46 50.851 53.248 -2.397 1
1 548 . 16 1 1 A 46 46 ALA CB C 46 20.458 19.400 1.058 1
1 549 . 16 1 1 A 46 46 ALA N N 46 123.249 125.064 -1.815 1
1 550 . 16 1 1 A 47 47 SER H H 47 8.518 8.960 -0.442 1
1 551 . 16 1 1 A 47 47 SER HA H 47 4.202 4.533 -0.331 1
1 554 . 16 1 1 A 47 47 SER C C 47 171.769 174.519 -2.750 1
1 555 . 16 1 1 A 47 47 SER CA C 47 58.740 59.560 -0.820 1
1 556 . 16 1 1 A 47 47 SER CB C 47 62.419 63.985 -1.566 1
1 557 . 16 1 1 A 47 47 SER N N 47 117.696 117.503 0.193 1
1 558 . 16 1 1 A 48 48 ARG H H 48 7.276 7.707 -0.431 1
1 559 . 16 1 1 A 48 48 ARG HA H 48 4.466 4.643 -0.177 1
1 566 . 16 1 1 A 48 48 ARG C C 48 170.417 173.883 -3.466 1
1 567 . 16 1 1 A 48 48 ARG CA C 48 54.164 55.063 -0.899 1
1 568 . 16 1 1 A 48 48 ARG CB C 48 29.775 32.689 -2.914 1
1 571 . 16 1 1 A 48 48 ARG N N 48 115.830 116.992 -1.162 1
1 572 . 16 1 1 A 49 49 GLU H H 49 8.681 8.631 0.050 1
1 573 . 16 1 1 A 49 49 GLU HA H 49 5.373 5.132 0.241 1
1 578 . 16 1 1 A 49 49 GLU C C 49 172.716 175.408 -2.692 1
1 579 . 16 1 1 A 49 49 GLU CA C 49 53.744 55.279 -1.535 1
1 580 . 16 1 1 A 49 49 GLU CB C 49 32.057 30.945 1.112 1
1 582 . 16 1 1 A 49 49 GLU N N 49 119.800 119.700 0.100 1
1 583 . 16 1 1 A 50 50 LEU H H 50 8.720 8.682 0.038 1
1 584 . 16 1 1 A 50 50 LEU HA H 50 4.821 4.404 0.417 1
1 594 . 16 1 1 A 50 50 LEU C C 50 171.932 176.394 -4.462 1
1 595 . 16 1 1 A 50 50 LEU CA C 50 52.447 54.657 -2.210 1
1 596 . 16 1 1 A 50 50 LEU CB C 50 44.748 42.088 2.660 1
1 600 . 16 1 1 A 50 50 LEU N N 50 124.747 126.572 -1.825 1
1 601 . 16 1 1 A 51 51 SER H H 51 9.560 8.915 0.645 1
1 602 . 16 1 1 A 51 51 SER HA H 51 4.881 5.387 -0.506 1
1 605 . 16 1 1 A 51 51 SER C C 51 171.769 173.835 -2.066 1
1 606 . 16 1 1 A 51 51 SER CA C 51 55.707 57.426 -1.719 1
1 607 . 16 1 1 A 51 51 SER CB C 51 64.701 64.611 0.090 1
1 608 . 16 1 1 A 51 51 SER N N 51 119.156 120.508 -1.352 1
1 609 . 16 1 1 A 52 52 VAL H H 52 8.416 8.715 -0.299 1
1 610 . 16 1 1 A 52 52 VAL HA H 52 5.196 5.083 0.113 1
1 618 . 16 1 1 A 52 52 VAL CA C 52 59.207 60.802 -1.595 1
1 619 . 16 1 1 A 52 52 VAL CB C 52 33.156 34.274 -1.118 1
1 622 . 16 1 1 A 52 52 VAL N N 52 121.797 124.893 -3.096 1
1 623 . 16 1 1 A 53 53 THR H H 53 8.383 9.227 -0.844 1
1 624 . 16 1 1 A 53 53 THR HA H 53 4.358 5.212 -0.854 1
1 629 . 16 1 1 A 53 53 THR C C 53 169.741 173.461 -3.720 1
1 630 . 16 1 1 A 53 53 THR CA C 53 58.375 60.712 -2.337 1
1 631 . 16 1 1 A 53 53 THR CB C 53 70.707 70.935 -0.228 1
1 633 . 16 1 1 A 53 53 THR N N 53 117.287 118.133 -0.846 1
1 634 . 16 1 1 A 54 54 PHE H H 54 8.737 8.984 -0.247 1
1 635 . 16 1 1 A 54 54 PHE HA H 54 4.536 4.791 -0.255 1
1 643 . 16 1 1 A 54 54 PHE C C 54 172.986 175.993 -3.007 1
1 644 . 16 1 1 A 54 54 PHE CA C 54 57.064 56.929 0.135 1
1 645 . 16 1 1 A 54 54 PHE CB C 54 38.755 39.788 -1.033 1
1 651 . 16 1 1 A 54 54 PHE N N 54 118.180 124.299 -6.119 1
1 652 . 16 1 1 A 55 55 PHE H H 55 9.167 8.771 0.396 1
1 653 . 16 1 1 A 55 55 PHE HA H 55 3.715 4.613 -0.898 1
1 660 . 16 1 1 A 55 55 PHE CA C 55 57.908 56.965 0.943 1
1 661 . 16 1 1 A 55 55 PHE CB C 55 39.594 38.731 0.863 1
1 666 . 16 1 1 A 55 55 PHE N N 55 128.290 123.623 4.667 1
1 667 . 16 1 1 A 56 56 PRO HA H 56 2.356 4.089 -1.733 1
1 674 . 16 1 1 A 56 56 PRO C C 56 171.012 174.840 -3.828 1
1 675 . 16 1 1 A 56 56 PRO CA C 56 62.611 62.009 0.602 1
1 676 . 16 1 1 A 56 56 PRO CB C 56 32.522 30.182 2.340 1
1 679 . 16 1 1 A 57 57 ASP H H 57 9.009 8.508 0.501 1
1 680 . 16 1 1 A 57 57 ASP HA H 57 4.289 4.872 -0.583 1
1 683 . 16 1 1 A 57 57 ASP C C 57 173.257 174.216 -0.959 1
1 684 . 16 1 1 A 57 57 ASP CA C 57 53.752 53.612 0.140 1
1 685 . 16 1 1 A 57 57 ASP CB C 57 40.067 45.212 -5.145 1
1 686 . 16 1 1 A 57 57 ASP N N 57 127.876 122.558 5.318 1
1 687 . 16 1 1 A 58 58 LEU H H 58 8.368 8.492 -0.124 1
1 688 . 16 1 1 A 58 58 LEU HA H 58 4.229 4.893 -0.664 1
1 698 . 16 1 1 A 58 58 LEU C C 58 174.285 177.164 -2.879 1
1 699 . 16 1 1 A 58 58 LEU CA C 58 52.468 53.816 -1.348 1
1 700 . 16 1 1 A 58 58 LEU CB C 58 40.258 42.248 -1.990 1
1 704 . 16 1 1 A 58 58 LEU N N 58 128.010 121.669 6.341 1
1 705 . 16 1 1 A 59 59 ASN H H 59 8.430 8.059 0.371 1
1 706 . 16 1 1 A 59 59 ASN HA H 59 4.198 4.846 -0.648 1
1 711 . 16 1 1 A 59 59 ASN C C 59 173.636 175.625 -1.989 1
1 712 . 16 1 1 A 59 59 ASN CA C 59 54.945 53.214 1.731 1
1 713 . 16 1 1 A 59 59 ASN CB C 59 38.175 39.431 -1.256 1
1 714 . 16 1 1 A 59 59 ASN N N 59 116.745 117.515 -0.770 1
1 716 . 16 1 1 A 60 60 GLY H H 60 8.083 7.912 0.171 1
1 717 . 16 1 1 A 60 60 GLY HA2 H 60 3.766 4.049 -0.283 1
1 718 . 16 1 1 A 60 60 GLY HA3 H 60 3.326 4.053 -0.727 1
1 719 . 16 1 1 A 60 60 GLY C C 60 169.876 174.352 -4.476 1
1 720 . 16 1 1 A 60 60 GLY CA C 60 44.285 44.652 -0.367 1
1 721 . 16 1 1 A 60 60 GLY N N 60 110.045 108.260 1.785 1
1 722 . 16 1 1 A 61 61 ASP H H 61 8.084 8.607 -0.523 1
1 723 . 16 1 1 A 61 61 ASP HA H 61 4.200 4.387 -0.187 1
1 726 . 16 1 1 A 61 61 ASP C C 61 172.283 176.457 -4.174 1
1 727 . 16 1 1 A 61 61 ASP CA C 61 56.865 56.655 0.210 1
1 728 . 16 1 1 A 61 61 ASP CB C 61 42.113 41.568 0.545 1
1 729 . 16 1 1 A 61 61 ASP N N 61 121.395 118.570 2.825 1
1 730 . 16 1 1 A 62 62 VAL H H 62 8.387 7.923 0.464 1
1 731 . 16 1 1 A 62 62 VAL HA H 62 4.096 4.626 -0.530 1
1 739 . 16 1 1 A 62 62 VAL C C 62 171.255 174.162 -2.907 1
1 740 . 16 1 1 A 62 62 VAL CA C 62 58.914 60.469 -1.555 1
1 741 . 16 1 1 A 62 62 VAL CB C 62 34.433 35.478 -1.045 1
1 744 . 16 1 1 A 62 62 VAL N N 62 117.701 118.623 -0.922 1
1 745 . 16 1 1 A 63 63 VAL H H 63 8.251 9.257 -1.006 1
1 746 . 16 1 1 A 63 63 VAL HA H 63 4.637 5.144 -0.507 1
1 754 . 16 1 1 A 63 63 VAL C C 63 171.282 174.013 -2.731 1
1 755 . 16 1 1 A 63 63 VAL CA C 63 59.233 59.780 -0.547 1
1 756 . 16 1 1 A 63 63 VAL CB C 63 33.531 35.200 -1.669 1
1 759 . 16 1 1 A 63 63 VAL N N 63 125.341 125.609 -0.268 1
1 760 . 16 1 1 A 64 64 ALA H H 64 9.316 8.942 0.374 1
1 761 . 16 1 1 A 64 64 ALA HA H 64 5.036 5.288 -0.252 1
1 765 . 16 1 1 A 64 64 ALA C C 64 173.825 175.520 -1.695 1
1 766 . 16 1 1 A 64 64 ALA CA C 64 49.059 50.204 -1.145 1
1 767 . 16 1 1 A 64 64 ALA CB C 64 20.323 23.706 -3.383 1
1 768 . 16 1 1 A 64 64 ALA N N 64 128.526 126.386 2.140 1
1 769 . 16 1 1 A 65 65 ILE H H 65 9.451 9.127 0.324 1
1 770 . 16 1 1 A 65 65 ILE HA H 65 4.475 4.756 -0.281 1
1 780 . 16 1 1 A 65 65 ILE C C 65 172.121 174.729 -2.608 1
1 781 . 16 1 1 A 65 65 ILE CA C 65 56.490 59.416 -2.926 1
1 782 . 16 1 1 A 65 65 ILE CB C 65 37.474 41.545 -4.071 1
1 786 . 16 1 1 A 65 65 ILE N N 65 126.677 120.258 6.419 1
1 787 . 16 1 1 A 66 66 ASP H H 66 9.165 8.714 0.451 1
1 788 . 16 1 1 A 66 66 ASP HA H 66 4.045 4.308 -0.263 1
1 791 . 16 1 1 A 66 66 ASP C C 66 174.663 177.220 -2.557 1
1 792 . 16 1 1 A 66 66 ASP CA C 66 54.199 54.638 -0.439 1
1 793 . 16 1 1 A 66 66 ASP CB C 66 42.211 41.972 0.239 1
1 794 . 16 1 1 A 66 66 ASP N N 66 128.723 126.456 2.267 1
1 795 . 16 1 1 A 67 67 TYR H H 67 8.919 8.737 0.182 1
1 796 . 16 1 1 A 67 67 TYR HA H 67 4.344 4.181 0.163 1
1 801 . 16 1 1 A 67 67 TYR C C 67 173.257 177.234 -3.977 1
1 802 . 16 1 1 A 67 67 TYR CA C 67 59.614 61.744 -2.130 1
1 803 . 16 1 1 A 67 67 TYR CB C 67 39.338 38.944 0.394 1
1 806 . 16 1 1 A 67 67 TYR N N 67 127.739 128.552 -0.813 1
1 807 . 16 1 1 A 68 68 ARG H H 68 9.459 8.522 0.937 1
1 808 . 16 1 1 A 68 68 ARG HA H 68 3.923 4.135 -0.212 1
1 815 . 16 1 1 A 68 68 ARG C C 68 174.150 177.496 -3.346 1
1 816 . 16 1 1 A 68 68 ARG CA C 68 57.691 58.443 -0.752 1
1 817 . 16 1 1 A 68 68 ARG CB C 68 27.945 29.824 -1.879 1
1 820 . 16 1 1 A 68 68 ARG N N 68 121.666 118.010 3.656 1
1 821 . 16 1 1 A 69 69 HIS H H 69 8.146 7.877 0.269 1
1 822 . 16 1 1 A 69 69 HIS HA H 69 4.538 4.442 0.096 1
1 826 . 16 1 1 A 69 69 HIS C C 69 171.391 174.695 -3.304 1
1 827 . 16 1 1 A 69 69 HIS CA C 69 55.405 56.286 -0.881 1
1 828 . 16 1 1 A 69 69 HIS CB C 69 29.458 29.513 -0.055 1
1 830 . 16 1 1 A 69 69 HIS N N 69 117.372 116.726 0.646 1
1 831 . 16 1 1 A 70 70 TYR H H 70 7.468 7.328 0.140 1
1 832 . 16 1 1 A 70 70 TYR HA H 70 3.431 3.723 -0.292 1
1 839 . 16 1 1 A 70 70 TYR C C 70 171.904 174.252 -2.348 1
1 840 . 16 1 1 A 70 70 TYR CA C 70 60.020 55.655 4.365 1
1 841 . 16 1 1 A 70 70 TYR CB C 70 37.554 36.554 1.000 1
1 846 . 16 1 1 A 70 70 TYR N N 70 121.636 121.941 -0.305 1
1 847 . 16 1 1 A 71 71 SER H H 71 5.657 8.543 -2.886 1
1 848 . 16 1 1 A 71 71 SER HA H 71 3.958 4.699 -0.741 1
1 851 . 16 1 1 A 71 71 SER C C 71 170.390 175.295 -4.905 1
1 852 . 16 1 1 A 71 71 SER CA C 71 55.267 56.345 -1.078 1
1 853 . 16 1 1 A 71 71 SER CB C 71 64.410 65.697 -1.287 1
1 854 . 16 1 1 A 71 71 SER N N 71 120.240 123.048 -2.808 1
1 855 . 16 1 1 A 72 72 ALA H H 72 8.461 8.920 -0.459 1
1 856 . 16 1 1 A 72 72 ALA HA H 72 3.757 3.974 -0.217 1
1 860 . 16 1 1 A 72 72 ALA CA C 72 54.250 54.389 -0.139 1
1 861 . 16 1 1 A 72 72 ALA CB C 72 17.423 18.300 -0.877 1
1 862 . 16 1 1 A 72 72 ALA N N 72 123.497 127.547 -4.050 1
1 863 . 16 1 1 A 73 73 SER HA H 73 3.904 3.927 -0.023 1
1 866 . 16 1 1 A 73 73 SER C C 73 172.500 175.620 -3.120 1
1 867 . 16 1 1 A 73 73 SER CA C 73 59.873 61.915 -2.042 1
1 868 . 16 1 1 A 73 73 SER CB C 73 61.769 62.815 -1.046 1
1 869 . 16 1 1 A 74 74 PHE H H 74 7.508 7.659 -0.151 1
1 870 . 16 1 1 A 74 74 PHE HA H 74 5.163 4.673 0.490 1
1 877 . 16 1 1 A 74 74 PHE C C 74 173.987 176.380 -2.393 1
1 878 . 16 1 1 A 74 74 PHE CA C 74 53.320 58.716 -5.396 1
1 879 . 16 1 1 A 74 74 PHE CB C 74 37.854 38.500 -0.646 1
1 884 . 16 1 1 A 74 74 PHE N N 74 118.853 118.002 0.851 1
1 885 . 16 1 1 A 75 75 LYS H H 75 7.245 8.158 -0.913 1
1 886 . 16 1 1 A 75 75 LYS HA H 75 4.200 4.089 0.111 1
1 895 . 16 1 1 A 75 75 LYS C C 75 173.717 177.389 -3.672 1
1 896 . 16 1 1 A 75 75 LYS CA C 75 59.003 59.971 -0.968 1
1 897 . 16 1 1 A 75 75 LYS CB C 75 31.846 32.056 -0.210 1
1 901 . 16 1 1 A 75 75 LYS N N 75 121.129 122.105 -0.976 1
1 902 . 16 1 1 A 76 76 LYS H H 76 7.841 7.661 0.180 1
1 903 . 16 1 1 A 76 76 LYS HA H 76 3.738 2.480 1.258 1
1 912 . 16 1 1 A 76 76 LYS C C 76 170.200 175.441 -5.241 1
1 913 . 16 1 1 A 76 76 LYS CA C 76 55.114 54.963 0.151 1
1 914 . 16 1 1 A 76 76 LYS CB C 76 32.393 32.287 0.106 1
1 918 . 16 1 1 A 76 76 LYS N N 76 114.423 116.215 -1.792 1
1 919 . 16 1 1 A 77 77 GLY H H 77 7.239 7.113 0.126 1
1 920 . 16 1 1 A 77 77 GLY HA2 H 77 3.737 4.001 -0.264 1
1 921 . 16 1 1 A 77 77 GLY HA3 H 77 4.771 4.025 0.746 1
1 922 . 16 1 1 A 77 77 GLY C C 77 170.795 172.356 -1.561 1
1 923 . 16 1 1 A 77 77 GLY CA C 77 43.770 43.866 -0.096 1
1 924 . 16 1 1 A 77 77 GLY N N 77 103.318 107.061 -3.743 1
1 925 . 16 1 1 A 78 78 ALA H H 78 6.868 8.251 -1.383 1
1 926 . 16 1 1 A 78 78 ALA HA H 78 4.982 5.247 -0.265 1
1 930 . 16 1 1 A 78 78 ALA C C 78 171.904 175.646 -3.742 1
1 931 . 16 1 1 A 78 78 ALA CA C 78 49.907 51.272 -1.365 1
1 932 . 16 1 1 A 78 78 ALA CB C 78 22.601 23.849 -1.248 1
1 933 . 16 1 1 A 78 78 ALA N N 78 117.057 121.089 -4.032 1
1 934 . 16 1 1 A 79 79 LYS H H 79 8.765 8.989 -0.224 1
1 935 . 16 1 1 A 79 79 LYS HA H 79 4.636 5.044 -0.408 1
1 944 . 16 1 1 A 79 79 LYS C C 79 171.039 174.441 -3.402 1
1 945 . 16 1 1 A 79 79 LYS CA C 79 54.485 54.581 -0.096 1
1 946 . 16 1 1 A 79 79 LYS CB C 79 35.963 36.188 -0.225 1
1 950 . 16 1 1 A 79 79 LYS N N 79 117.018 115.711 1.307 1
1 951 . 16 1 1 A 80 80 LEU H H 80 8.782 8.990 -0.208 1
1 952 . 16 1 1 A 80 80 LEU HA H 80 4.459 4.434 0.025 1
1 962 . 16 1 1 A 80 80 LEU C C 80 173.095 177.707 -4.612 1
1 963 . 16 1 1 A 80 80 LEU CA C 80 52.743 53.666 -0.923 1
1 964 . 16 1 1 A 80 80 LEU CB C 80 42.494 43.966 -1.472 1
1 968 . 16 1 1 A 80 80 LEU N N 80 122.496 123.737 -1.241 1
1 969 . 16 1 1 A 81 81 LEU H H 81 8.636 8.637 -0.001 1
1 970 . 16 1 1 A 81 81 LEU HA H 81 3.578 4.208 -0.630 1
1 980 . 16 1 1 A 81 81 LEU CA C 81 57.316 58.772 -1.456 1
1 981 . 16 1 1 A 81 81 LEU CB C 81 39.032 42.359 -3.327 1
1 985 . 16 1 1 A 81 81 LEU N N 81 125.060 125.871 -0.811 1
1 986 . 16 1 1 A 82 82 HIS H H 82 8.379 7.771 0.608 1
1 987 . 16 1 1 A 82 82 HIS HA H 82 4.551 4.833 -0.282 1
1 992 . 16 1 1 A 82 82 HIS C C 82 172.635 174.235 -1.600 1
1 993 . 16 1 1 A 82 82 HIS CA C 82 55.432 55.128 0.304 1
1 994 . 16 1 1 A 82 82 HIS CB C 82 29.646 31.209 -1.563 1
1 997 . 16 1 1 A 82 82 HIS N N 82 114.387 111.353 3.034 1
1 998 . 16 1 1 A 83 83 LYS H H 83 8.023 7.297 0.726 1
1 999 . 16 1 1 A 83 83 LYS HA H 83 4.670 4.530 0.140 1
1 1008 . 16 1 1 A 83 83 LYS CA C 83 52.041 52.818 -0.777 1
1 1009 . 16 1 1 A 83 83 LYS CB C 83 32.741 34.128 -1.387 1
1 1013 . 16 1 1 A 83 83 LYS N N 83 122.886 118.779 4.107 1
1 1014 . 16 1 1 A 84 84 PRO HA H 84 4.585 4.591 -0.006 1
1 1021 . 16 1 1 A 84 84 PRO C C 84 172.797 176.323 -3.526 1
1 1022 . 16 1 1 A 84 84 PRO CA C 84 62.050 62.669 -0.619 1
1 1023 . 16 1 1 A 84 84 PRO CB C 84 32.770 31.679 1.091 1
1 1026 . 16 1 1 A 85 85 ILE H H 85 6.185 7.896 -1.711 1
1 1027 . 16 1 1 A 85 85 ILE HA H 85 5.743 5.172 0.571 1
1 1037 . 16 1 1 A 85 85 ILE C C 85 174.366 174.589 -0.223 1
1 1038 . 16 1 1 A 85 85 ILE CA C 85 57.032 58.501 -1.469 1
1 1039 . 16 1 1 A 85 85 ILE CB C 85 41.265 40.922 0.343 1
1 1043 . 16 1 1 A 85 85 ILE N N 85 107.777 116.611 -8.834 1
1 1044 . 16 1 1 A 86 86 VAL H H 86 7.552 8.552 -1.000 1
1 1045 . 16 1 1 A 86 86 VAL HA H 86 4.278 4.584 -0.306 1
1 1053 . 16 1 1 A 86 86 VAL CA C 86 59.345 58.763 0.582 1
1 1054 . 16 1 1 A 86 86 VAL CB C 86 34.990 36.331 -1.341 1
1 1057 . 16 1 1 A 86 86 VAL N N 86 109.584 114.017 -4.433 1
1 1058 . 16 1 1 A 87 87 TRP H H 87 10.036 8.438 1.598 1
1 1059 . 16 1 1 A 87 87 TRP HA H 87 6.158 5.690 0.468 1
1 1068 . 16 1 1 A 87 87 TRP C C 87 174.393 176.289 -1.896 1
1 1069 . 16 1 1 A 87 87 TRP CA C 87 55.238 55.308 -0.070 1
1 1070 . 16 1 1 A 87 87 TRP CB C 87 32.786 31.423 1.363 1
1 1076 . 16 1 1 A 87 87 TRP N N 87 122.256 120.594 1.662 1
1 1078 . 16 1 1 A 88 88 HIS H H 88 8.802 8.908 -0.106 1
1 1079 . 16 1 1 A 88 88 HIS HA H 88 5.383 5.911 -0.528 1
1 1085 . 16 1 1 A 88 88 HIS CA C 88 53.902 53.520 0.382 1
1 1086 . 16 1 1 A 88 88 HIS CB C 88 37.553 32.824 4.729 1
1 1089 . 16 1 1 A 88 88 HIS N N 88 116.636 120.948 -4.312 1
1 1090 . 16 1 1 A 89 89 ILE H H 89 9.197 8.783 0.414 1
1 1091 . 16 1 1 A 89 89 ILE HA H 89 4.022 4.306 -0.284 1
1 1101 . 16 1 1 A 89 89 ILE C C 89 174.582 175.952 -1.370 1
1 1102 . 16 1 1 A 89 89 ILE CA C 89 61.042 60.147 0.895 1
1 1103 . 16 1 1 A 89 89 ILE CB C 89 40.176 39.259 0.917 1
1 1107 . 16 1 1 A 89 89 ILE N N 89 118.669 120.934 -2.265 1
1 1108 . 16 1 1 A 90 90 ASN H H 90 9.688 9.324 0.364 1
1 1109 . 16 1 1 A 90 90 ASN HA H 90 4.281 4.335 -0.054 1
1 1114 . 16 1 1 A 90 90 ASN C C 90 171.418 174.397 -2.979 1
1 1115 . 16 1 1 A 90 90 ASN CA C 90 53.724 54.634 -0.910 1
1 1116 . 16 1 1 A 90 90 ASN CB C 90 36.919 36.904 0.015 1
1 1117 . 16 1 1 A 90 90 ASN N N 90 128.710 126.602 2.108 1
1 1119 . 16 1 1 A 91 91 GLN H H 91 10.928 7.905 3.023 1
1 1120 . 16 1 1 A 91 91 GLN HA H 91 2.586 3.362 -0.776 1
1 1127 . 16 1 1 A 91 91 GLN C C 91 170.146 174.230 -4.084 1
1 1128 . 16 1 1 A 91 91 GLN CA C 91 55.444 57.116 -1.672 1
1 1129 . 16 1 1 A 91 91 GLN CB C 91 23.948 26.810 -2.862 1
1 1131 . 16 1 1 A 91 91 GLN N N 91 112.871 108.665 4.206 1
1 1133 . 16 1 1 A 92 92 ALA H H 92 7.692 8.114 -0.422 1
1 1134 . 16 1 1 A 92 92 ALA HA H 92 4.979 5.067 -0.088 1
1 1138 . 16 1 1 A 92 92 ALA C C 92 174.068 176.047 -1.979 1
1 1139 . 16 1 1 A 92 92 ALA CA C 92 49.792 50.429 -0.637 1
1 1140 . 16 1 1 A 92 92 ALA CB C 92 21.832 21.846 -0.014 1
1 1141 . 16 1 1 A 92 92 ALA N N 92 118.287 120.715 -2.428 1
1 1142 . 16 1 1 A 93 93 THR H H 93 9.026 8.968 0.058 1
1 1143 . 16 1 1 A 93 93 THR HA H 93 5.281 5.122 0.159 1
1 1148 . 16 1 1 A 93 93 THR C C 93 170.768 173.946 -3.178 1
1 1149 . 16 1 1 A 93 93 THR CA C 93 58.597 62.218 -3.621 1
1 1150 . 16 1 1 A 93 93 THR CB C 93 70.855 70.301 0.554 1
1 1152 . 16 1 1 A 93 93 THR N N 93 114.894 117.251 -2.357 1
1 1153 . 16 1 1 A 94 94 THR H H 94 8.292 8.485 -0.193 1
1 1154 . 16 1 1 A 94 94 THR HA H 94 4.903 4.943 -0.040 1
1 1159 . 16 1 1 A 94 94 THR CA C 94 58.800 59.318 -0.518 1
1 1160 . 16 1 1 A 94 94 THR CB C 94 71.488 72.611 -1.123 1
1 1162 . 16 1 1 A 94 94 THR N N 94 119.907 117.956 1.951 1
1 1163 . 16 1 1 A 95 95 LYS HA H 95 4.056 4.010 0.046 1
1 1172 . 16 1 1 A 95 95 LYS CA C 95 59.376 59.899 -0.523 1
1 1173 . 16 1 1 A 95 95 LYS CB C 95 31.083 32.043 -0.960 1
1 1177 . 16 1 1 A 96 96 THR H H 96 7.773 8.072 -0.299 1
1 1178 . 16 1 1 A 96 96 THR HA H 96 3.798 4.087 -0.289 1
1 1183 . 16 1 1 A 96 96 THR C C 96 171.850 176.721 -4.871 1
1 1184 . 16 1 1 A 96 96 THR CA C 96 64.506 67.118 -2.612 1
1 1185 . 16 1 1 A 96 96 THR CB C 96 68.405 68.711 -0.306 1
1 1187 . 16 1 1 A 96 96 THR N N 96 113.841 117.463 -3.622 1
1 1188 . 16 1 1 A 97 97 THR H H 97 6.795 7.830 -1.035 1
1 1189 . 16 1 1 A 97 97 THR HA H 97 3.604 4.439 -0.835 1
1 1194 . 16 1 1 A 97 97 THR C C 97 171.959 176.562 -4.603 1
1 1195 . 16 1 1 A 97 97 THR CA C 97 61.209 63.910 -2.701 1
1 1196 . 16 1 1 A 97 97 THR CB C 97 67.962 69.111 -1.149 1
1 1198 . 16 1 1 A 97 97 THR N N 97 105.731 110.593 -4.862 1
1 1199 . 16 1 1 A 98 98 PHE H H 98 7.410 8.562 -1.152 1
1 1200 . 16 1 1 A 98 98 PHE HA H 98 4.220 4.054 0.166 1
1 1207 . 16 1 1 A 98 98 PHE C C 98 174.528 177.345 -2.817 1
1 1208 . 16 1 1 A 98 98 PHE CA C 98 61.879 61.688 0.191 1
1 1209 . 16 1 1 A 98 98 PHE CB C 98 38.875 39.245 -0.370 1
1 1214 . 16 1 1 A 98 98 PHE N N 98 126.402 124.098 2.304 1
1 1215 . 16 1 1 A 99 99 LYS H H 99 9.459 8.390 1.069 1
1 1216 . 16 1 1 A 99 99 LYS HA H 99 4.089 3.516 0.573 1
1 1225 . 16 1 1 A 99 99 LYS CA C 99 60.763 61.248 -0.485 1
1 1226 . 16 1 1 A 99 99 LYS CB C 99 28.635 31.189 -2.554 1
1 1230 . 16 1 1 A 99 99 LYS N N 99 121.490 117.281 4.209 1
1 1231 . 16 1 1 A 100 100 PRO HA H 100 4.922 4.583 0.339 1
1 1238 . 16 1 1 A 100 100 PRO C C 100 177.314 179.117 -1.803 1
1 1239 . 16 1 1 A 100 100 PRO CA C 100 66.173 65.265 0.908 1
1 1240 . 16 1 1 A 100 100 PRO CB C 100 31.535 30.777 0.758 1
1 1243 . 16 1 1 A 101 101 ASN H H 101 8.530 8.289 0.241 1
1 1244 . 16 1 1 A 101 101 ASN HA H 101 5.244 4.528 0.716 1
1 1249 . 16 1 1 A 101 101 ASN C C 101 175.204 177.848 -2.644 1
1 1250 . 16 1 1 A 101 101 ASN CA C 101 54.555 56.081 -1.526 1
1 1251 . 16 1 1 A 101 101 ASN CB C 101 36.187 37.843 -1.656 1
1 1252 . 16 1 1 A 101 101 ASN N N 101 115.238 115.997 -0.759 1
1 1254 . 16 1 1 A 102 102 THR H H 102 8.488 7.866 0.622 1
1 1255 . 16 1 1 A 102 102 THR HA H 102 4.184 3.960 0.224 1
1 1260 . 16 1 1 A 102 102 THR C C 102 171.472 176.752 -5.280 1
1 1261 . 16 1 1 A 102 102 THR CA C 102 67.543 65.623 1.920 1
1 1262 . 16 1 1 A 102 102 THR CB C 102 67.001 67.973 -0.972 1
1 1264 . 16 1 1 A 102 102 THR N N 102 120.254 111.726 8.528 1
1 1265 . 16 1 1 A 103 103 TRP H H 103 7.283 7.586 -0.303 1
1 1266 . 16 1 1 A 103 103 TRP HA H 103 3.986 4.151 -0.165 1
1 1275 . 16 1 1 A 103 103 TRP C C 103 175.800 177.910 -2.110 1
1 1276 . 16 1 1 A 103 103 TRP CA C 103 60.856 60.273 0.583 1
1 1277 . 16 1 1 A 103 103 TRP CB C 103 27.948 28.421 -0.473 1
1 1283 . 16 1 1 A 103 103 TRP N N 103 121.763 121.355 0.408 1
1 1285 . 16 1 1 A 104 104 CYS H H 104 8.233 7.807 0.426 1
1 1286 . 16 1 1 A 104 104 CYS HA H 104 4.272 4.116 0.156 1
1 1289 . 16 1 1 A 104 104 CYS C C 104 176.259 176.885 -0.626 1
1 1290 . 16 1 1 A 104 104 CYS CA C 104 65.226 62.559 2.667 1
1 1291 . 16 1 1 A 104 104 CYS CB C 104 26.949 26.890 0.059 1
1 1292 . 16 1 1 A 104 104 CYS N N 104 118.046 119.130 -1.084 1
1 1293 . 16 1 1 A 105 105 LEU H H 105 8.726 7.991 0.735 1
1 1294 . 16 1 1 A 105 105 LEU HA H 105 4.000 3.975 0.025 1
1 1304 . 16 1 1 A 105 105 LEU C C 105 176.205 178.828 -2.623 1
1 1305 . 16 1 1 A 105 105 LEU CA C 105 57.810 58.136 -0.326 1
1 1306 . 16 1 1 A 105 105 LEU CB C 105 40.484 41.572 -1.088 1
1 1310 . 16 1 1 A 105 105 LEU N N 105 120.557 120.764 -0.207 1
1 1311 . 16 1 1 A 106 106 ARG H H 106 6.990 7.908 -0.918 1
1 1312 . 16 1 1 A 106 106 ARG HA H 106 2.054 2.504 -0.450 1
1 1319 . 16 1 1 A 106 106 ARG C C 106 177.179 177.385 -0.206 1
1 1320 . 16 1 1 A 106 106 ARG CA C 106 57.405 58.236 -0.831 1
1 1321 . 16 1 1 A 106 106 ARG CB C 106 29.269 29.415 -0.146 1
1 1324 . 16 1 1 A 106 106 ARG N N 106 118.050 117.751 0.299 1
1 1325 . 16 1 1 A 107 107 CYS H H 107 7.623 8.001 -0.378 1
1 1326 . 16 1 1 A 107 107 CYS HA H 107 4.031 4.380 -0.349 1
1 1329 . 16 1 1 A 107 107 CYS C C 107 172.337 176.295 -3.958 1
1 1330 . 16 1 1 A 107 107 CYS CA C 107 63.291 61.142 2.149 1
1 1331 . 16 1 1 A 107 107 CYS CB C 107 26.214 27.453 -1.239 1
1 1332 . 16 1 1 A 107 107 CYS N N 107 117.028 118.977 -1.949 1
1 1333 . 16 1 1 A 108 108 LEU H H 108 7.484 7.396 0.088 1
1 1334 . 16 1 1 A 108 108 LEU HA H 108 4.159 4.143 0.016 1
1 1344 . 16 1 1 A 108 108 LEU C C 108 174.582 177.196 -2.614 1
1 1345 . 16 1 1 A 108 108 LEU CA C 108 54.203 55.406 -1.203 1
1 1346 . 16 1 1 A 108 108 LEU CB C 108 41.621 42.111 -0.490 1
1 1350 . 16 1 1 A 108 108 LEU N N 108 117.680 117.899 -0.219 1
1 1351 . 16 1 1 A 109 109 TRP H H 109 7.427 7.619 -0.192 1
1 1352 . 16 1 1 A 109 109 TRP HA H 109 4.828 5.059 -0.231 1
1 1361 . 16 1 1 A 109 109 TRP C C 109 173.176 176.179 -3.003 1
1 1362 . 16 1 1 A 109 109 TRP CA C 109 56.353 58.092 -1.739 1
1 1363 . 16 1 1 A 109 109 TRP CB C 109 29.743 30.352 -0.609 1
1 1369 . 16 1 1 A 109 109 TRP N N 109 119.087 120.765 -1.678 1
1 1371 . 16 1 1 A 110 110 SER H H 110 8.199 8.980 -0.781 1
1 1372 . 16 1 1 A 110 110 SER HA H 110 4.688 5.252 -0.564 1
1 1375 . 16 1 1 A 110 110 SER C C 110 171.769 173.548 -1.779 1
1 1376 . 16 1 1 A 110 110 SER CA C 110 56.324 56.345 -0.021 1
1 1377 . 16 1 1 A 110 110 SER CB C 110 64.513 65.580 -1.067 1
1 1378 . 16 1 1 A 110 110 SER N N 110 115.602 117.327 -1.725 1
1 1379 . 16 1 1 A 111 111 THR H H 111 8.268 8.696 -0.428 1
1 1380 . 16 1 1 A 111 111 THR HA H 111 4.425 4.424 0.001 1
1 1385 . 16 1 1 A 111 111 THR C C 111 171.526 173.878 -2.352 1
1 1386 . 16 1 1 A 111 111 THR CA C 111 60.861 62.437 -1.576 1
1 1387 . 16 1 1 A 111 111 THR CB C 111 69.202 69.745 -0.543 1
1 1389 . 16 1 1 A 111 111 THR N N 111 114.394 119.013 -4.619 1
1 1390 . 16 1 1 A 112 112 LYS H H 112 8.240 8.433 -0.193 1
1 1391 . 16 1 1 A 112 112 LYS HA H 112 4.530 4.803 -0.273 1
1 1400 . 16 1 1 A 112 112 LYS CA C 112 53.768 53.064 0.704 1
1 1401 . 16 1 1 A 112 112 LYS CB C 112 32.067 35.261 -3.194 1
1 1405 . 16 1 1 A 112 112 LYS N N 112 125.207 124.253 0.954 1
1 1406 . 16 1 1 A 113 113 PRO HA H 113 4.380 4.684 -0.304 1
1 1413 . 16 1 1 A 113 113 PRO C C 113 174.095 176.183 -2.088 1
1 1414 . 16 1 1 A 113 113 PRO CA C 113 62.381 62.519 -0.138 1
1 1415 . 16 1 1 A 113 113 PRO CB C 113 31.408 33.233 -1.825 1
1 1418 . 16 1 1 A 114 114 VAL H H 114 8.195 8.342 -0.147 1
1 1419 . 16 1 1 A 114 114 VAL HA H 114 4.029 4.387 -0.358 1
1 1427 . 16 1 1 A 114 114 VAL C C 114 173.122 175.136 -2.014 1
1 1428 . 16 1 1 A 114 114 VAL CA C 114 61.335 61.084 0.251 1
1 1429 . 16 1 1 A 114 114 VAL CB C 114 32.153 31.044 1.109 1
1 1432 . 16 1 1 A 114 114 VAL N N 114 120.113 118.586 1.527 1
1 1433 . 16 1 1 A 115 115 ASP H H 115 8.345 8.283 0.062 1
1 1434 . 16 1 1 A 115 115 ASP HA H 115 4.592 4.238 0.354 1
1 1437 . 16 1 1 A 115 115 ASP C C 115 172.608 174.798 -2.190 1
1 1438 . 16 1 1 A 115 115 ASP CA C 115 53.202 55.662 -2.460 1
1 1439 . 16 1 1 A 115 115 ASP CB C 115 40.552 39.924 0.628 1
1 1440 . 16 1 1 A 115 115 ASP N N 115 123.853 116.907 6.946 1
1 1 . 17 1 1 A 2 2 TYR HA H 2 4.617 4.768 -0.151 1
1 7 . 17 1 1 A 2 2 TYR C C 2 172.716 174.055 -1.339 1
1 8 . 17 1 1 A 2 2 TYR CA C 2 56.943 56.700 0.243 1
1 9 . 17 1 1 A 2 2 TYR CB C 2 38.050 38.532 -0.482 1
1 14 . 17 1 1 A 2 2 TYR N N 2 121.461 117.846 3.615 1
1 15 . 17 1 1 A 3 3 THR H H 3 7.984 8.243 -0.259 1
1 16 . 17 1 1 A 3 3 THR HA H 3 4.684 4.958 -0.274 1
1 21 . 17 1 1 A 3 3 THR C C 3 170.931 172.923 -1.992 1
1 22 . 17 1 1 A 3 3 THR CA C 3 60.870 60.877 -0.007 1
1 23 . 17 1 1 A 3 3 THR CB C 3 69.270 69.130 0.140 1
1 25 . 17 1 1 A 3 3 THR N N 3 117.624 114.664 2.960 1
1 26 . 17 1 1 A 4 4 GLU H H 4 8.290 9.076 -0.786 1
1 27 . 17 1 1 A 4 4 GLU HA H 4 4.183 4.517 -0.334 1
1 32 . 17 1 1 A 4 4 GLU C C 4 173.013 175.535 -2.522 1
1 33 . 17 1 1 A 4 4 GLU CA C 4 55.876 55.778 0.098 1
1 34 . 17 1 1 A 4 4 GLU CB C 4 29.779 29.020 0.759 1
1 36 . 17 1 1 A 4 4 GLU N N 4 123.377 128.504 -5.127 1
1 37 . 17 1 1 A 5 5 GLN H H 5 8.329 7.734 0.595 1
1 38 . 17 1 1 A 5 5 GLN HA H 5 4.392 4.784 -0.392 1
1 43 . 17 1 1 A 5 5 GLN CA C 5 52.634 54.064 -1.430 1
1 44 . 17 1 1 A 5 5 GLN CB C 5 28.759 29.791 -1.032 1
1 46 . 17 1 1 A 5 5 GLN N N 5 122.599 123.247 -0.648 1
1 47 . 17 1 1 A 6 6 PRO HA H 6 4.323 5.138 -0.815 1
1 54 . 17 1 1 A 6 6 PRO C C 6 173.636 176.420 -2.784 1
1 55 . 17 1 1 A 6 6 PRO CA C 6 62.080 62.489 -0.409 1
1 56 . 17 1 1 A 6 6 PRO CB C 6 30.785 32.752 -1.967 1
1 59 . 17 1 1 A 7 7 ILE H H 7 8.160 8.511 -0.351 1
1 60 . 17 1 1 A 7 7 ILE HA H 7 3.871 4.308 -0.437 1
1 70 . 17 1 1 A 7 7 ILE C C 7 172.770 175.196 -2.426 1
1 71 . 17 1 1 A 7 7 ILE CA C 7 60.589 60.655 -0.066 1
1 72 . 17 1 1 A 7 7 ILE CB C 7 38.318 35.993 2.325 1
1 76 . 17 1 1 A 7 7 ILE N N 7 121.913 122.338 -0.425 1
1 77 . 17 1 1 A 8 8 ASP H H 8 8.126 8.478 -0.352 1
1 78 . 17 1 1 A 8 8 ASP HA H 8 4.584 4.224 0.360 1
1 81 . 17 1 1 A 8 8 ASP C C 8 171.742 175.598 -3.856 1
1 82 . 17 1 1 A 8 8 ASP CA C 8 53.265 55.298 -2.033 1
1 83 . 17 1 1 A 8 8 ASP CB C 8 39.521 40.147 -0.626 1
1 84 . 17 1 1 A 8 8 ASP N N 8 124.858 118.433 6.425 1
1 85 . 17 1 1 A 9 9 LEU H H 9 7.374 7.923 -0.549 1
1 86 . 17 1 1 A 9 9 LEU HA H 9 4.506 4.591 -0.085 1
1 96 . 17 1 1 A 9 9 LEU C C 9 174.041 175.837 -1.796 1
1 97 . 17 1 1 A 9 9 LEU CA C 9 53.779 54.839 -1.060 1
1 98 . 17 1 1 A 9 9 LEU CB C 9 43.411 42.766 0.645 1
1 102 . 17 1 1 A 9 9 LEU N N 9 122.151 119.632 2.519 1
1 103 . 17 1 1 A 10 10 VAL H H 10 8.827 8.901 -0.074 1
1 104 . 17 1 1 A 10 10 VAL HA H 10 4.841 4.996 -0.155 1
1 112 . 17 1 1 A 10 10 VAL CA C 10 57.706 58.175 -0.469 1
1 113 . 17 1 1 A 10 10 VAL CB C 10 33.895 35.027 -1.132 1
1 116 . 17 1 1 A 10 10 VAL N N 10 120.738 119.344 1.394 1
1 117 . 17 1 1 A 11 11 PRO HA H 11 4.766 5.098 -0.332 1
1 124 . 17 1 1 A 11 11 PRO C C 11 173.149 175.506 -2.357 1
1 125 . 17 1 1 A 11 11 PRO CA C 11 62.417 62.345 0.072 1
1 126 . 17 1 1 A 11 11 PRO CB C 11 32.119 32.258 -0.139 1
1 129 . 17 1 1 A 12 12 THR H H 12 7.408 8.330 -0.922 1
1 130 . 17 1 1 A 12 12 THR HA H 12 4.280 4.777 -0.497 1
1 135 . 17 1 1 A 12 12 THR C C 12 166.981 172.862 -5.881 1
1 136 . 17 1 1 A 12 12 THR CA C 12 59.142 59.473 -0.331 1
1 137 . 17 1 1 A 12 12 THR CB C 12 68.812 70.526 -1.714 1
1 139 . 17 1 1 A 12 12 THR N N 12 115.177 116.464 -1.287 1
1 140 . 17 1 1 A 13 13 GLN H H 13 7.953 8.687 -0.734 1
1 141 . 17 1 1 A 13 13 GLN HA H 13 5.073 4.982 0.091 1
1 146 . 17 1 1 A 13 13 GLN CA C 13 52.836 53.298 -0.462 1
1 147 . 17 1 1 A 13 13 GLN CB C 13 28.566 31.435 -2.869 1
1 149 . 17 1 1 A 13 13 GLN N N 13 113.324 119.833 -6.509 1
1 150 . 17 1 1 A 14 14 PRO HA H 14 4.340 4.593 -0.253 1
1 157 . 17 1 1 A 14 14 PRO C C 14 173.392 176.343 -2.951 1
1 158 . 17 1 1 A 14 14 PRO CA C 14 62.498 62.287 0.211 1
1 159 . 17 1 1 A 14 14 PRO CB C 14 31.565 32.739 -1.174 1
1 162 . 17 1 1 A 15 15 LEU H H 15 8.764 8.408 0.356 1
1 163 . 17 1 1 A 15 15 LEU HA H 15 4.511 4.561 -0.050 1
1 173 . 17 1 1 A 15 15 LEU CA C 15 52.597 53.359 -0.762 1
1 174 . 17 1 1 A 15 15 LEU CB C 15 40.769 41.116 -0.347 1
1 178 . 17 1 1 A 15 15 LEU N N 15 124.665 121.360 3.305 1
1 179 . 17 1 1 A 16 16 PRO HA H 16 4.325 4.725 -0.400 1
1 186 . 17 1 1 A 16 16 PRO CA C 16 63.358 62.288 1.070 1
1 187 . 17 1 1 A 16 16 PRO CB C 16 31.187 33.090 -1.903 1
1 190 . 17 1 1 A 17 17 ASN H H 17 8.682 8.873 -0.191 1
1 191 . 17 1 1 A 17 17 ASN HA H 17 4.586 4.618 -0.032 1
1 196 . 17 1 1 A 17 17 ASN C C 17 174.691 175.420 -0.729 1
1 197 . 17 1 1 A 17 17 ASN CA C 17 52.745 54.169 -1.424 1
1 198 . 17 1 1 A 17 17 ASN CB C 17 36.762 37.210 -0.448 1
1 199 . 17 1 1 A 17 17 ASN N N 17 114.315 117.953 -3.638 1
1 201 . 17 1 1 A 18 18 ALA H H 18 7.283 8.239 -0.956 1
1 202 . 17 1 1 A 18 18 ALA HA H 18 4.569 4.646 -0.077 1
1 206 . 17 1 1 A 18 18 ALA C C 18 174.041 176.815 -2.774 1
1 207 . 17 1 1 A 18 18 ALA CA C 18 51.618 52.397 -0.779 1
1 208 . 17 1 1 A 18 18 ALA CB C 18 20.698 20.244 0.454 1
1 209 . 17 1 1 A 18 18 ALA N N 18 121.620 123.190 -1.570 1
1 210 . 17 1 1 A 19 19 SER H H 19 8.744 8.444 0.300 1
1 211 . 17 1 1 A 19 19 SER HA H 19 4.479 4.142 0.337 1
1 214 . 17 1 1 A 19 19 SER C C 19 169.984 172.048 -2.064 1
1 215 . 17 1 1 A 19 19 SER CA C 19 56.634 57.214 -0.580 1
1 216 . 17 1 1 A 19 19 SER CB C 19 65.044 66.582 -1.538 1
1 217 . 17 1 1 A 19 19 SER N N 19 113.995 115.704 -1.709 1
1 218 . 17 1 1 A 20 20 PHE H H 20 7.753 7.181 0.572 1
1 219 . 17 1 1 A 20 20 PHE HA H 20 3.514 4.034 -0.520 1
1 226 . 17 1 1 A 20 20 PHE C C 20 172.635 174.373 -1.738 1
1 227 . 17 1 1 A 20 20 PHE CA C 20 58.070 59.251 -1.181 1
1 228 . 17 1 1 A 20 20 PHE CB C 20 37.588 39.354 -1.766 1
1 233 . 17 1 1 A 20 20 PHE N N 20 124.690 125.046 -0.356 1
1 234 . 17 1 1 A 21 21 ASP H H 21 8.288 7.633 0.655 1
1 235 . 17 1 1 A 21 21 ASP HA H 21 4.351 4.542 -0.191 1
1 238 . 17 1 1 A 21 21 ASP CA C 21 51.826 52.072 -0.246 1
1 239 . 17 1 1 A 21 21 ASP CB C 21 38.598 44.770 -6.172 1
1 240 . 17 1 1 A 21 21 ASP N N 21 127.080 126.442 0.638 1
1 241 . 17 1 1 A 22 22 ASN HA H 22 3.766 4.562 -0.796 1
1 246 . 17 1 1 A 22 22 ASN C C 22 171.688 175.408 -3.720 1
1 247 . 17 1 1 A 22 22 ASN CA C 22 54.954 54.487 0.467 1
1 248 . 17 1 1 A 22 22 ASN CB C 22 37.641 38.469 -0.828 1
1 250 . 17 1 1 A 23 23 PHE H H 23 5.484 7.572 -2.088 1
1 251 . 17 1 1 A 23 23 PHE HA H 23 4.804 4.531 0.273 1
1 259 . 17 1 1 A 23 23 PHE C C 23 169.768 174.597 -4.829 1
1 260 . 17 1 1 A 23 23 PHE CA C 23 54.649 56.898 -2.249 1
1 261 . 17 1 1 A 23 23 PHE CB C 23 39.850 39.605 0.245 1
1 267 . 17 1 1 A 23 23 PHE N N 23 112.858 118.124 -5.266 1
1 268 . 17 1 1 A 24 24 LYS H H 24 8.329 9.021 -0.692 1
1 269 . 17 1 1 A 24 24 LYS HA H 24 3.719 4.560 -0.841 1
1 278 . 17 1 1 A 24 24 LYS C C 24 171.959 175.023 -3.064 1
1 279 . 17 1 1 A 24 24 LYS CA C 24 53.756 53.882 -0.126 1
1 280 . 17 1 1 A 24 24 LYS CB C 24 36.279 35.481 0.798 1
1 284 . 17 1 1 A 24 24 LYS N N 24 119.724 120.696 -0.972 1
1 285 . 17 1 1 A 25 25 LEU H H 25 9.144 8.449 0.695 1
1 286 . 17 1 1 A 25 25 LEU HA H 25 5.462 5.163 0.299 1
1 296 . 17 1 1 A 25 25 LEU C C 25 174.609 176.126 -1.517 1
1 297 . 17 1 1 A 25 25 LEU CA C 25 53.208 53.433 -0.225 1
1 298 . 17 1 1 A 25 25 LEU CB C 25 41.419 44.296 -2.877 1
1 302 . 17 1 1 A 25 25 LEU N N 25 126.849 120.906 5.943 1
1 303 . 17 1 1 A 26 26 THR H H 26 8.956 9.272 -0.316 1
1 304 . 17 1 1 A 26 26 THR HA H 26 4.471 4.841 -0.370 1
1 309 . 17 1 1 A 26 26 THR C C 26 169.524 173.809 -4.285 1
1 310 . 17 1 1 A 26 26 THR CA C 26 58.769 61.223 -2.454 1
1 311 . 17 1 1 A 26 26 THR CB C 26 69.971 71.112 -1.141 1
1 313 . 17 1 1 A 26 26 THR N N 26 113.907 113.910 -0.003 1
1 314 . 17 1 1 A 27 27 CYS H H 27 8.507 8.771 -0.264 1
1 315 . 17 1 1 A 27 27 CYS HA H 27 4.509 4.814 -0.305 1
1 318 . 17 1 1 A 27 27 CYS C C 27 169.984 174.104 -4.120 1
1 319 . 17 1 1 A 27 27 CYS CA C 27 57.948 57.911 0.037 1
1 320 . 17 1 1 A 27 27 CYS CB C 27 29.529 32.047 -2.518 1
1 321 . 17 1 1 A 27 27 CYS N N 27 120.842 119.175 1.667 1
1 322 . 17 1 1 A 28 28 SER H H 28 9.044 8.364 0.680 1
1 323 . 17 1 1 A 28 28 SER HA H 28 4.140 4.427 -0.287 1
1 326 . 17 1 1 A 28 28 SER C C 28 172.716 174.537 -1.821 1
1 327 . 17 1 1 A 28 28 SER CA C 28 60.986 61.266 -0.280 1
1 328 . 17 1 1 A 28 28 SER CB C 28 61.437 63.301 -1.864 1
1 329 . 17 1 1 A 28 28 SER N N 28 124.898 117.868 7.030 1
1 330 . 17 1 1 A 29 29 ASN H H 29 7.825 7.873 -0.048 1
1 331 . 17 1 1 A 29 29 ASN HA H 29 4.951 4.929 0.022 1
1 336 . 17 1 1 A 29 29 ASN C C 29 171.688 175.958 -4.270 1
1 337 . 17 1 1 A 29 29 ASN CA C 29 52.155 52.569 -0.414 1
1 338 . 17 1 1 A 29 29 ASN CB C 29 36.980 40.263 -3.283 1
1 339 . 17 1 1 A 29 29 ASN N N 29 121.001 119.261 1.740 1
1 341 . 17 1 1 A 30 30 THR H H 30 8.062 8.907 -0.845 1
1 342 . 17 1 1 A 30 30 THR HA H 30 3.901 4.109 -0.208 1
1 347 . 17 1 1 A 30 30 THR C C 30 173.338 176.671 -3.333 1
1 348 . 17 1 1 A 30 30 THR CA C 30 64.874 65.965 -1.091 1
1 349 . 17 1 1 A 30 30 THR CB C 30 67.715 68.374 -0.659 1
1 351 . 17 1 1 A 30 30 THR N N 30 119.799 119.983 -0.184 1
1 352 . 17 1 1 A 31 31 LYS H H 31 8.015 8.197 -0.182 1
1 353 . 17 1 1 A 31 31 LYS HA H 31 4.119 3.924 0.195 1
1 362 . 17 1 1 A 31 31 LYS C C 31 174.231 178.376 -4.145 1
1 363 . 17 1 1 A 31 31 LYS CA C 31 58.286 59.659 -1.373 1
1 364 . 17 1 1 A 31 31 LYS CB C 31 31.547 32.206 -0.659 1
1 368 . 17 1 1 A 31 31 LYS N N 31 122.845 122.527 0.318 1
1 369 . 17 1 1 A 32 32 PHE H H 32 7.739 8.792 -1.053 1
1 370 . 17 1 1 A 32 32 PHE HA H 32 4.652 4.266 0.386 1
1 378 . 17 1 1 A 32 32 PHE C C 32 174.691 176.992 -2.301 1
1 379 . 17 1 1 A 32 32 PHE CA C 32 59.954 61.838 -1.884 1
1 380 . 17 1 1 A 32 32 PHE CB C 32 38.444 39.369 -0.925 1
1 386 . 17 1 1 A 32 32 PHE N N 32 120.100 121.072 -0.972 1
1 387 . 17 1 1 A 33 33 ALA H H 33 6.955 8.273 -1.318 1
1 388 . 17 1 1 A 33 33 ALA HA H 33 3.555 3.962 -0.407 1
1 392 . 17 1 1 A 33 33 ALA C C 33 175.502 179.864 -4.362 1
1 393 . 17 1 1 A 33 33 ALA CA C 33 54.703 55.264 -0.561 1
1 394 . 17 1 1 A 33 33 ALA CB C 33 17.085 18.209 -1.124 1
1 395 . 17 1 1 A 33 33 ALA N N 33 116.140 121.010 -4.870 1
1 396 . 17 1 1 A 34 34 ASP H H 34 8.795 8.084 0.711 1
1 397 . 17 1 1 A 34 34 ASP HA H 34 4.367 4.405 -0.038 1
1 400 . 17 1 1 A 34 34 ASP C C 34 176.854 178.056 -1.202 1
1 401 . 17 1 1 A 34 34 ASP CA C 34 56.911 56.660 0.251 1
1 402 . 17 1 1 A 34 34 ASP CB C 34 39.495 40.642 -1.147 1
1 403 . 17 1 1 A 34 34 ASP N N 34 118.170 118.333 -0.163 1
1 404 . 17 1 1 A 35 35 ASP H H 35 8.791 8.295 0.496 1
1 405 . 17 1 1 A 35 35 ASP HA H 35 4.360 4.506 -0.146 1
1 408 . 17 1 1 A 35 35 ASP C C 35 177.233 179.057 -1.824 1
1 409 . 17 1 1 A 35 35 ASP CA C 35 56.890 57.173 -0.283 1
1 410 . 17 1 1 A 35 35 ASP CB C 35 39.291 40.836 -1.545 1
1 411 . 17 1 1 A 35 35 ASP N N 35 121.921 118.819 3.102 1
1 412 . 17 1 1 A 36 36 LEU H H 36 7.792 7.937 -0.145 1
1 413 . 17 1 1 A 36 36 LEU HA H 36 4.162 3.906 0.256 1
1 423 . 17 1 1 A 36 36 LEU C C 36 176.097 179.322 -3.225 1
1 424 . 17 1 1 A 36 36 LEU CA C 36 57.508 58.074 -0.566 1
1 425 . 17 1 1 A 36 36 LEU CB C 36 41.523 41.432 0.091 1
1 429 . 17 1 1 A 36 36 LEU N N 36 121.822 121.323 0.499 1
1 430 . 17 1 1 A 37 37 ASN H H 37 9.015 8.545 0.470 1
1 431 . 17 1 1 A 37 37 ASN HA H 37 4.733 4.472 0.261 1
1 436 . 17 1 1 A 37 37 ASN C C 37 176.232 178.668 -2.436 1
1 437 . 17 1 1 A 37 37 ASN CA C 37 54.288 56.481 -2.193 1
1 438 . 17 1 1 A 37 37 ASN CB C 37 37.337 38.011 -0.674 1
1 439 . 17 1 1 A 37 37 ASN N N 37 116.904 116.895 0.009 1
1 441 . 17 1 1 A 38 38 GLN H H 38 8.218 7.675 0.543 1
1 442 . 17 1 1 A 38 38 GLN HA H 38 4.074 4.196 -0.122 1
1 447 . 17 1 1 A 38 38 GLN C C 38 175.773 179.016 -3.243 1
1 448 . 17 1 1 A 38 38 GLN CA C 38 58.134 58.497 -0.363 1
1 449 . 17 1 1 A 38 38 GLN CB C 38 27.676 28.032 -0.356 1
1 451 . 17 1 1 A 38 38 GLN N N 38 121.443 120.049 1.394 1
1 452 . 17 1 1 A 39 39 MET H H 39 7.487 8.134 -0.647 1
1 453 . 17 1 1 A 39 39 MET HA H 39 3.967 4.239 -0.272 1
1 461 . 17 1 1 A 39 39 MET C C 39 176.259 177.990 -1.731 1
1 462 . 17 1 1 A 39 39 MET CA C 39 58.374 57.991 0.383 1
1 463 . 17 1 1 A 39 39 MET CB C 39 33.000 33.947 -0.947 1
1 466 . 17 1 1 A 39 39 MET N N 39 118.793 119.652 -0.859 1
1 467 . 17 1 1 A 40 40 THR H H 40 7.873 7.526 0.347 1
1 468 . 17 1 1 A 40 40 THR HA H 40 3.769 3.945 -0.176 1
1 473 . 17 1 1 A 40 40 THR C C 40 173.906 175.434 -1.528 1
1 474 . 17 1 1 A 40 40 THR CA C 40 61.739 62.978 -1.239 1
1 475 . 17 1 1 A 40 40 THR CB C 40 68.427 69.167 -0.740 1
1 477 . 17 1 1 A 40 40 THR N N 40 108.945 108.545 0.400 1
1 478 . 17 1 1 A 41 41 GLY H H 41 7.199 7.539 -0.340 1
1 479 . 17 1 1 A 41 41 GLY HA2 H 41 3.899 3.875 0.024 1
1 480 . 17 1 1 A 41 41 GLY HA3 H 41 3.662 3.890 -0.228 1
1 481 . 17 1 1 A 41 41 GLY C C 41 171.661 174.611 -2.950 1
1 482 . 17 1 1 A 41 41 GLY CA C 41 44.926 45.693 -0.767 1
1 483 . 17 1 1 A 41 41 GLY N N 41 106.430 111.160 -4.730 1
1 484 . 17 1 1 A 42 42 PHE H H 42 7.876 8.214 -0.338 1
1 485 . 17 1 1 A 42 42 PHE HA H 42 4.682 4.648 0.034 1
1 493 . 17 1 1 A 42 42 PHE C C 42 171.499 174.711 -3.212 1
1 494 . 17 1 1 A 42 42 PHE CA C 42 57.793 58.966 -1.173 1
1 495 . 17 1 1 A 42 42 PHE CB C 42 39.422 39.736 -0.314 1
1 501 . 17 1 1 A 42 42 PHE N N 42 122.221 121.282 0.939 1
1 502 . 17 1 1 A 43 43 THR H H 43 8.418 8.481 -0.063 1
1 503 . 17 1 1 A 43 43 THR HA H 43 3.665 4.225 -0.560 1
1 508 . 17 1 1 A 43 43 THR C C 43 168.767 173.142 -4.375 1
1 509 . 17 1 1 A 43 43 THR CA C 43 59.002 60.408 -1.406 1
1 510 . 17 1 1 A 43 43 THR CB C 43 70.919 71.873 -0.954 1
1 512 . 17 1 1 A 43 43 THR N N 43 123.470 122.579 0.891 1
1 513 . 17 1 1 A 44 44 LYS H H 44 7.999 8.066 -0.067 1
1 514 . 17 1 1 A 44 44 LYS HA H 44 3.924 4.608 -0.684 1
1 523 . 17 1 1 A 44 44 LYS CA C 44 54.785 54.694 0.091 1
1 524 . 17 1 1 A 44 44 LYS CB C 44 31.047 31.435 -0.388 1
1 528 . 17 1 1 A 44 44 LYS N N 44 124.728 125.676 -0.948 1
1 529 . 17 1 1 A 45 45 PRO HA H 45 4.581 4.697 -0.116 1
1 536 . 17 1 1 A 45 45 PRO C C 45 172.770 176.697 -3.927 1
1 537 . 17 1 1 A 45 45 PRO CA C 45 60.970 62.617 -1.647 1
1 538 . 17 1 1 A 45 45 PRO CB C 45 33.754 32.328 1.426 1
1 541 . 17 1 1 A 46 46 ALA H H 46 8.715 8.504 0.211 1
1 542 . 17 1 1 A 46 46 ALA HA H 46 4.674 4.931 -0.257 1
1 546 . 17 1 1 A 46 46 ALA C C 46 175.827 178.119 -2.292 1
1 547 . 17 1 1 A 46 46 ALA CA C 46 50.851 52.498 -1.647 1
1 548 . 17 1 1 A 46 46 ALA CB C 46 20.458 19.302 1.156 1
1 549 . 17 1 1 A 46 46 ALA N N 46 123.249 124.757 -1.508 1
1 550 . 17 1 1 A 47 47 SER H H 47 8.518 9.104 -0.586 1
1 551 . 17 1 1 A 47 47 SER HA H 47 4.202 4.341 -0.139 1
1 554 . 17 1 1 A 47 47 SER C C 47 171.769 174.341 -2.572 1
1 555 . 17 1 1 A 47 47 SER CA C 47 58.740 61.252 -2.512 1
1 556 . 17 1 1 A 47 47 SER CB C 47 62.419 63.598 -1.179 1
1 557 . 17 1 1 A 47 47 SER N N 47 117.696 115.673 2.023 1
1 558 . 17 1 1 A 48 48 ARG H H 48 7.276 7.778 -0.502 1
1 559 . 17 1 1 A 48 48 ARG HA H 48 4.466 4.869 -0.403 1
1 566 . 17 1 1 A 48 48 ARG C C 48 170.417 173.934 -3.517 1
1 567 . 17 1 1 A 48 48 ARG CA C 48 54.164 54.669 -0.505 1
1 568 . 17 1 1 A 48 48 ARG CB C 48 29.775 33.568 -3.793 1
1 571 . 17 1 1 A 48 48 ARG N N 48 115.830 116.516 -0.686 1
1 572 . 17 1 1 A 49 49 GLU H H 49 8.681 8.715 -0.034 1
1 573 . 17 1 1 A 49 49 GLU HA H 49 5.373 4.878 0.495 1
1 578 . 17 1 1 A 49 49 GLU C C 49 172.716 175.772 -3.056 1
1 579 . 17 1 1 A 49 49 GLU CA C 49 53.744 55.231 -1.487 1
1 580 . 17 1 1 A 49 49 GLU CB C 49 32.057 30.652 1.405 1
1 582 . 17 1 1 A 49 49 GLU N N 49 119.800 120.094 -0.294 1
1 583 . 17 1 1 A 50 50 LEU H H 50 8.720 8.978 -0.258 1
1 584 . 17 1 1 A 50 50 LEU HA H 50 4.821 4.461 0.360 1
1 594 . 17 1 1 A 50 50 LEU C C 50 171.932 175.570 -3.638 1
1 595 . 17 1 1 A 50 50 LEU CA C 50 52.447 54.761 -2.314 1
1 596 . 17 1 1 A 50 50 LEU CB C 50 44.748 42.394 2.354 1
1 600 . 17 1 1 A 50 50 LEU N N 50 124.747 126.156 -1.409 1
1 601 . 17 1 1 A 51 51 SER H H 51 9.560 8.555 1.005 1
1 602 . 17 1 1 A 51 51 SER HA H 51 4.881 5.274 -0.393 1
1 605 . 17 1 1 A 51 51 SER C C 51 171.769 172.947 -1.178 1
1 606 . 17 1 1 A 51 51 SER CA C 51 55.707 57.458 -1.751 1
1 607 . 17 1 1 A 51 51 SER CB C 51 64.701 66.284 -1.583 1
1 608 . 17 1 1 A 51 51 SER N N 51 119.156 116.301 2.855 1
1 609 . 17 1 1 A 52 52 VAL H H 52 8.416 8.621 -0.205 1
1 610 . 17 1 1 A 52 52 VAL HA H 52 5.196 4.926 0.270 1
1 618 . 17 1 1 A 52 52 VAL CA C 52 59.207 60.596 -1.389 1
1 619 . 17 1 1 A 52 52 VAL CB C 52 33.156 33.622 -0.466 1
1 622 . 17 1 1 A 52 52 VAL N N 52 121.797 125.988 -4.191 1
1 623 . 17 1 1 A 53 53 THR H H 53 8.383 8.561 -0.178 1
1 624 . 17 1 1 A 53 53 THR HA H 53 4.358 4.747 -0.389 1
1 629 . 17 1 1 A 53 53 THR C C 53 169.741 171.972 -2.231 1
1 630 . 17 1 1 A 53 53 THR CA C 53 58.375 60.006 -1.631 1
1 631 . 17 1 1 A 53 53 THR CB C 53 70.707 72.043 -1.336 1
1 633 . 17 1 1 A 53 53 THR N N 53 117.287 114.207 3.080 1
1 634 . 17 1 1 A 54 54 PHE H H 54 8.737 8.913 -0.176 1
1 635 . 17 1 1 A 54 54 PHE HA H 54 4.536 5.042 -0.506 1
1 643 . 17 1 1 A 54 54 PHE C C 54 172.986 175.431 -2.445 1
1 644 . 17 1 1 A 54 54 PHE CA C 54 57.064 56.201 0.863 1
1 645 . 17 1 1 A 54 54 PHE CB C 54 38.755 40.157 -1.402 1
1 651 . 17 1 1 A 54 54 PHE N N 54 118.180 121.328 -3.148 1
1 652 . 17 1 1 A 55 55 PHE H H 55 9.167 9.045 0.122 1
1 653 . 17 1 1 A 55 55 PHE HA H 55 3.715 4.518 -0.803 1
1 660 . 17 1 1 A 55 55 PHE CA C 55 57.908 57.230 0.678 1
1 661 . 17 1 1 A 55 55 PHE CB C 55 39.594 38.942 0.652 1
1 666 . 17 1 1 A 55 55 PHE N N 55 128.290 124.352 3.938 1
1 667 . 17 1 1 A 56 56 PRO HA H 56 2.356 3.543 -1.187 1
1 674 . 17 1 1 A 56 56 PRO C C 56 171.012 174.794 -3.782 1
1 675 . 17 1 1 A 56 56 PRO CA C 56 62.611 61.753 0.858 1
1 676 . 17 1 1 A 56 56 PRO CB C 56 32.522 30.066 2.456 1
1 679 . 17 1 1 A 57 57 ASP H H 57 9.009 8.403 0.606 1
1 680 . 17 1 1 A 57 57 ASP HA H 57 4.289 4.823 -0.534 1
1 683 . 17 1 1 A 57 57 ASP C C 57 173.257 174.394 -1.137 1
1 684 . 17 1 1 A 57 57 ASP CA C 57 53.752 53.716 0.036 1
1 685 . 17 1 1 A 57 57 ASP CB C 57 40.067 44.346 -4.279 1
1 686 . 17 1 1 A 57 57 ASP N N 57 127.876 122.333 5.543 1
1 687 . 17 1 1 A 58 58 LEU H H 58 8.368 8.592 -0.224 1
1 688 . 17 1 1 A 58 58 LEU HA H 58 4.229 4.892 -0.663 1
1 698 . 17 1 1 A 58 58 LEU C C 58 174.285 177.467 -3.182 1
1 699 . 17 1 1 A 58 58 LEU CA C 58 52.468 53.766 -1.298 1
1 700 . 17 1 1 A 58 58 LEU CB C 58 40.258 42.044 -1.786 1
1 704 . 17 1 1 A 58 58 LEU N N 58 128.010 122.204 5.806 1
1 705 . 17 1 1 A 59 59 ASN H H 59 8.430 7.861 0.569 1
1 706 . 17 1 1 A 59 59 ASN HA H 59 4.198 4.520 -0.322 1
1 711 . 17 1 1 A 59 59 ASN C C 59 173.636 176.927 -3.291 1
1 712 . 17 1 1 A 59 59 ASN CA C 59 54.945 55.502 -0.557 1
1 713 . 17 1 1 A 59 59 ASN CB C 59 38.175 38.519 -0.344 1
1 714 . 17 1 1 A 59 59 ASN N N 59 116.745 118.396 -1.651 1
1 716 . 17 1 1 A 60 60 GLY H H 60 8.083 7.805 0.278 1
1 717 . 17 1 1 A 60 60 GLY HA2 H 60 3.766 4.010 -0.244 1
1 718 . 17 1 1 A 60 60 GLY HA3 H 60 3.326 4.028 -0.702 1
1 719 . 17 1 1 A 60 60 GLY C C 60 169.876 174.790 -4.914 1
1 720 . 17 1 1 A 60 60 GLY CA C 60 44.285 45.022 -0.737 1
1 721 . 17 1 1 A 60 60 GLY N N 60 110.045 107.752 2.293 1
1 722 . 17 1 1 A 61 61 ASP H H 61 8.084 8.559 -0.475 1
1 723 . 17 1 1 A 61 61 ASP HA H 61 4.200 4.377 -0.177 1
1 726 . 17 1 1 A 61 61 ASP C C 61 172.283 176.200 -3.917 1
1 727 . 17 1 1 A 61 61 ASP CA C 61 56.865 56.764 0.101 1
1 728 . 17 1 1 A 61 61 ASP CB C 61 42.113 41.069 1.044 1
1 729 . 17 1 1 A 61 61 ASP N N 61 121.395 119.630 1.765 1
1 730 . 17 1 1 A 62 62 VAL H H 62 8.387 8.167 0.220 1
1 731 . 17 1 1 A 62 62 VAL HA H 62 4.096 4.598 -0.502 1
1 739 . 17 1 1 A 62 62 VAL C C 62 171.255 174.379 -3.124 1
1 740 . 17 1 1 A 62 62 VAL CA C 62 58.914 60.608 -1.694 1
1 741 . 17 1 1 A 62 62 VAL CB C 62 34.433 35.115 -0.682 1
1 744 . 17 1 1 A 62 62 VAL N N 62 117.701 118.481 -0.780 1
1 745 . 17 1 1 A 63 63 VAL H H 63 8.251 8.206 0.045 1
1 746 . 17 1 1 A 63 63 VAL HA H 63 4.637 5.004 -0.367 1
1 754 . 17 1 1 A 63 63 VAL C C 63 171.282 174.770 -3.488 1
1 755 . 17 1 1 A 63 63 VAL CA C 63 59.233 60.073 -0.840 1
1 756 . 17 1 1 A 63 63 VAL CB C 63 33.531 34.851 -1.320 1
1 759 . 17 1 1 A 63 63 VAL N N 63 125.341 124.792 0.549 1
1 760 . 17 1 1 A 64 64 ALA H H 64 9.316 8.978 0.338 1
1 761 . 17 1 1 A 64 64 ALA HA H 64 5.036 5.437 -0.401 1
1 765 . 17 1 1 A 64 64 ALA C C 64 173.825 175.673 -1.848 1
1 766 . 17 1 1 A 64 64 ALA CA C 64 49.059 50.351 -1.292 1
1 767 . 17 1 1 A 64 64 ALA CB C 64 20.323 23.104 -2.781 1
1 768 . 17 1 1 A 64 64 ALA N N 64 128.526 126.202 2.324 1
1 769 . 17 1 1 A 65 65 ILE H H 65 9.451 9.404 0.047 1
1 770 . 17 1 1 A 65 65 ILE HA H 65 4.475 4.907 -0.432 1
1 780 . 17 1 1 A 65 65 ILE C C 65 172.121 175.251 -3.130 1
1 781 . 17 1 1 A 65 65 ILE CA C 65 56.490 59.477 -2.987 1
1 782 . 17 1 1 A 65 65 ILE CB C 65 37.474 41.566 -4.092 1
1 786 . 17 1 1 A 65 65 ILE N N 65 126.677 120.749 5.928 1
1 787 . 17 1 1 A 66 66 ASP H H 66 9.165 8.905 0.260 1
1 788 . 17 1 1 A 66 66 ASP HA H 66 4.045 4.618 -0.573 1
1 791 . 17 1 1 A 66 66 ASP C C 66 174.663 177.175 -2.512 1
1 792 . 17 1 1 A 66 66 ASP CA C 66 54.199 54.700 -0.501 1
1 793 . 17 1 1 A 66 66 ASP CB C 66 42.211 42.248 -0.037 1
1 794 . 17 1 1 A 66 66 ASP N N 66 128.723 127.030 1.693 1
1 795 . 17 1 1 A 67 67 TYR H H 67 8.919 9.096 -0.177 1
1 796 . 17 1 1 A 67 67 TYR HA H 67 4.344 4.042 0.302 1
1 801 . 17 1 1 A 67 67 TYR C C 67 173.257 176.872 -3.615 1
1 802 . 17 1 1 A 67 67 TYR CA C 67 59.614 61.948 -2.334 1
1 803 . 17 1 1 A 67 67 TYR CB C 67 39.338 39.027 0.311 1
1 806 . 17 1 1 A 67 67 TYR N N 67 127.739 128.453 -0.714 1
1 807 . 17 1 1 A 68 68 ARG H H 68 9.459 8.018 1.441 1
1 808 . 17 1 1 A 68 68 ARG HA H 68 3.923 3.798 0.125 1
1 815 . 17 1 1 A 68 68 ARG C C 68 174.150 178.716 -4.566 1
1 816 . 17 1 1 A 68 68 ARG CA C 68 57.691 59.439 -1.748 1
1 817 . 17 1 1 A 68 68 ARG CB C 68 27.945 29.876 -1.931 1
1 820 . 17 1 1 A 68 68 ARG N N 68 121.666 117.765 3.901 1
1 821 . 17 1 1 A 69 69 HIS H H 69 8.146 8.027 0.119 1
1 822 . 17 1 1 A 69 69 HIS HA H 69 4.538 4.279 0.259 1
1 826 . 17 1 1 A 69 69 HIS C C 69 171.391 175.786 -4.395 1
1 827 . 17 1 1 A 69 69 HIS CA C 69 55.405 58.670 -3.265 1
1 828 . 17 1 1 A 69 69 HIS CB C 69 29.458 29.739 -0.281 1
1 830 . 17 1 1 A 69 69 HIS N N 69 117.372 118.875 -1.503 1
1 831 . 17 1 1 A 70 70 TYR H H 70 7.468 7.338 0.130 1
1 832 . 17 1 1 A 70 70 TYR HA H 70 3.431 4.037 -0.606 1
1 839 . 17 1 1 A 70 70 TYR C C 70 171.904 175.805 -3.901 1
1 840 . 17 1 1 A 70 70 TYR CA C 70 60.020 55.767 4.253 1
1 841 . 17 1 1 A 70 70 TYR CB C 70 37.554 36.076 1.478 1
1 846 . 17 1 1 A 70 70 TYR N N 70 121.636 121.353 0.283 1
1 847 . 17 1 1 A 71 71 SER H H 71 5.657 8.956 -3.299 1
1 848 . 17 1 1 A 71 71 SER HA H 71 3.958 4.637 -0.679 1
1 851 . 17 1 1 A 71 71 SER C C 71 170.390 173.548 -3.158 1
1 852 . 17 1 1 A 71 71 SER CA C 71 55.267 57.999 -2.732 1
1 853 . 17 1 1 A 71 71 SER CB C 71 64.410 63.170 1.240 1
1 854 . 17 1 1 A 71 71 SER N N 71 120.240 123.417 -3.177 1
1 855 . 17 1 1 A 72 72 ALA H H 72 8.461 7.737 0.724 1
1 856 . 17 1 1 A 72 72 ALA HA H 72 3.757 4.129 -0.372 1
1 860 . 17 1 1 A 72 72 ALA CA C 72 54.250 54.256 -0.006 1
1 861 . 17 1 1 A 72 72 ALA CB C 72 17.423 17.489 -0.066 1
1 862 . 17 1 1 A 72 72 ALA N N 72 123.497 120.961 2.536 1
1 863 . 17 1 1 A 73 73 SER HA H 73 3.904 3.988 -0.084 1
1 866 . 17 1 1 A 73 73 SER C C 73 172.500 175.458 -2.958 1
1 867 . 17 1 1 A 73 73 SER CA C 73 59.873 62.247 -2.374 1
1 868 . 17 1 1 A 73 73 SER CB C 73 61.769 62.706 -0.937 1
1 869 . 17 1 1 A 74 74 PHE H H 74 7.508 7.967 -0.459 1
1 870 . 17 1 1 A 74 74 PHE HA H 74 5.163 4.688 0.475 1
1 877 . 17 1 1 A 74 74 PHE C C 74 173.987 176.655 -2.668 1
1 878 . 17 1 1 A 74 74 PHE CA C 74 53.320 58.366 -5.046 1
1 879 . 17 1 1 A 74 74 PHE CB C 74 37.854 38.636 -0.782 1
1 884 . 17 1 1 A 74 74 PHE N N 74 118.853 117.659 1.194 1
1 885 . 17 1 1 A 75 75 LYS H H 75 7.245 8.398 -1.153 1
1 886 . 17 1 1 A 75 75 LYS HA H 75 4.200 4.053 0.147 1
1 895 . 17 1 1 A 75 75 LYS C C 75 173.717 176.887 -3.170 1
1 896 . 17 1 1 A 75 75 LYS CA C 75 59.003 58.728 0.275 1
1 897 . 17 1 1 A 75 75 LYS CB C 75 31.846 32.130 -0.284 1
1 901 . 17 1 1 A 75 75 LYS N N 75 121.129 119.139 1.990 1
1 902 . 17 1 1 A 76 76 LYS H H 76 7.841 7.572 0.269 1
1 903 . 17 1 1 A 76 76 LYS HA H 76 3.738 2.334 1.404 1
1 912 . 17 1 1 A 76 76 LYS C C 76 170.200 175.698 -5.498 1
1 913 . 17 1 1 A 76 76 LYS CA C 76 55.114 54.919 0.195 1
1 914 . 17 1 1 A 76 76 LYS CB C 76 32.393 31.949 0.444 1
1 918 . 17 1 1 A 76 76 LYS N N 76 114.423 117.287 -2.864 1
1 919 . 17 1 1 A 77 77 GLY H H 77 7.239 7.299 -0.060 1
1 920 . 17 1 1 A 77 77 GLY HA2 H 77 3.737 3.892 -0.155 1
1 921 . 17 1 1 A 77 77 GLY HA3 H 77 4.771 3.937 0.834 1
1 922 . 17 1 1 A 77 77 GLY C C 77 170.795 172.349 -1.554 1
1 923 . 17 1 1 A 77 77 GLY CA C 77 43.770 44.111 -0.341 1
1 924 . 17 1 1 A 77 77 GLY N N 77 103.318 106.978 -3.660 1
1 925 . 17 1 1 A 78 78 ALA H H 78 6.868 8.155 -1.287 1
1 926 . 17 1 1 A 78 78 ALA HA H 78 4.982 5.117 -0.135 1
1 930 . 17 1 1 A 78 78 ALA C C 78 171.904 175.425 -3.521 1
1 931 . 17 1 1 A 78 78 ALA CA C 78 49.907 51.210 -1.303 1
1 932 . 17 1 1 A 78 78 ALA CB C 78 22.601 23.626 -1.025 1
1 933 . 17 1 1 A 78 78 ALA N N 78 117.057 120.909 -3.852 1
1 934 . 17 1 1 A 79 79 LYS H H 79 8.765 8.800 -0.035 1
1 935 . 17 1 1 A 79 79 LYS HA H 79 4.636 4.994 -0.358 1
1 944 . 17 1 1 A 79 79 LYS C C 79 171.039 174.173 -3.134 1
1 945 . 17 1 1 A 79 79 LYS CA C 79 54.485 54.607 -0.122 1
1 946 . 17 1 1 A 79 79 LYS CB C 79 35.963 36.373 -0.410 1
1 950 . 17 1 1 A 79 79 LYS N N 79 117.018 115.817 1.201 1
1 951 . 17 1 1 A 80 80 LEU H H 80 8.782 8.800 -0.018 1
1 952 . 17 1 1 A 80 80 LEU HA H 80 4.459 4.717 -0.258 1
1 962 . 17 1 1 A 80 80 LEU C C 80 173.095 177.726 -4.631 1
1 963 . 17 1 1 A 80 80 LEU CA C 80 52.743 52.905 -0.162 1
1 964 . 17 1 1 A 80 80 LEU CB C 80 42.494 44.485 -1.991 1
1 968 . 17 1 1 A 80 80 LEU N N 80 122.496 122.849 -0.353 1
1 969 . 17 1 1 A 81 81 LEU H H 81 8.636 8.581 0.055 1
1 970 . 17 1 1 A 81 81 LEU HA H 81 3.578 4.024 -0.446 1
1 980 . 17 1 1 A 81 81 LEU CA C 81 57.316 58.746 -1.430 1
1 981 . 17 1 1 A 81 81 LEU CB C 81 39.032 42.309 -3.277 1
1 985 . 17 1 1 A 81 81 LEU N N 81 125.060 126.332 -1.272 1
1 986 . 17 1 1 A 82 82 HIS H H 82 8.379 7.602 0.777 1
1 987 . 17 1 1 A 82 82 HIS HA H 82 4.551 4.774 -0.223 1
1 992 . 17 1 1 A 82 82 HIS C C 82 172.635 173.984 -1.349 1
1 993 . 17 1 1 A 82 82 HIS CA C 82 55.432 55.144 0.288 1
1 994 . 17 1 1 A 82 82 HIS CB C 82 29.646 31.317 -1.671 1
1 997 . 17 1 1 A 82 82 HIS N N 82 114.387 111.335 3.052 1
1 998 . 17 1 1 A 83 83 LYS H H 83 8.023 7.121 0.902 1
1 999 . 17 1 1 A 83 83 LYS HA H 83 4.670 4.455 0.215 1
1 1008 . 17 1 1 A 83 83 LYS CA C 83 52.041 52.974 -0.933 1
1 1009 . 17 1 1 A 83 83 LYS CB C 83 32.741 33.991 -1.250 1
1 1013 . 17 1 1 A 83 83 LYS N N 83 122.886 119.204 3.682 1
1 1014 . 17 1 1 A 84 84 PRO HA H 84 4.585 4.781 -0.196 1
1 1021 . 17 1 1 A 84 84 PRO C C 84 172.797 176.476 -3.679 1
1 1022 . 17 1 1 A 84 84 PRO CA C 84 62.050 62.206 -0.156 1
1 1023 . 17 1 1 A 84 84 PRO CB C 84 32.770 32.433 0.337 1
1 1026 . 17 1 1 A 85 85 ILE H H 85 6.185 8.131 -1.946 1
1 1027 . 17 1 1 A 85 85 ILE HA H 85 5.743 5.274 0.469 1
1 1037 . 17 1 1 A 85 85 ILE C C 85 174.366 174.261 0.105 1
1 1038 . 17 1 1 A 85 85 ILE CA C 85 57.032 58.349 -1.317 1
1 1039 . 17 1 1 A 85 85 ILE CB C 85 41.265 41.581 -0.316 1
1 1043 . 17 1 1 A 85 85 ILE N N 85 107.777 116.362 -8.585 1
1 1044 . 17 1 1 A 86 86 VAL H H 86 7.552 8.496 -0.944 1
1 1045 . 17 1 1 A 86 86 VAL HA H 86 4.278 4.806 -0.528 1
1 1053 . 17 1 1 A 86 86 VAL CA C 86 59.345 58.566 0.779 1
1 1054 . 17 1 1 A 86 86 VAL CB C 86 34.990 35.396 -0.406 1
1 1057 . 17 1 1 A 86 86 VAL N N 86 109.584 116.242 -6.658 1
1 1058 . 17 1 1 A 87 87 TRP H H 87 10.036 8.806 1.230 1
1 1059 . 17 1 1 A 87 87 TRP HA H 87 6.158 5.515 0.643 1
1 1068 . 17 1 1 A 87 87 TRP C C 87 174.393 176.720 -2.327 1
1 1069 . 17 1 1 A 87 87 TRP CA C 87 55.238 56.587 -1.349 1
1 1070 . 17 1 1 A 87 87 TRP CB C 87 32.786 30.687 2.099 1
1 1076 . 17 1 1 A 87 87 TRP N N 87 122.256 124.282 -2.026 1
1 1078 . 17 1 1 A 88 88 HIS H H 88 8.802 9.330 -0.528 1
1 1079 . 17 1 1 A 88 88 HIS HA H 88 5.383 5.970 -0.587 1
1 1085 . 17 1 1 A 88 88 HIS CA C 88 53.902 53.846 0.056 1
1 1086 . 17 1 1 A 88 88 HIS CB C 88 37.553 32.849 4.704 1
1 1089 . 17 1 1 A 88 88 HIS N N 88 116.636 118.641 -2.005 1
1 1090 . 17 1 1 A 89 89 ILE H H 89 9.197 8.427 0.770 1
1 1091 . 17 1 1 A 89 89 ILE HA H 89 4.022 4.270 -0.248 1
1 1101 . 17 1 1 A 89 89 ILE C C 89 174.582 176.124 -1.542 1
1 1102 . 17 1 1 A 89 89 ILE CA C 89 61.042 60.199 0.843 1
1 1103 . 17 1 1 A 89 89 ILE CB C 89 40.176 40.396 -0.220 1
1 1107 . 17 1 1 A 89 89 ILE N N 89 118.669 119.344 -0.675 1
1 1108 . 17 1 1 A 90 90 ASN H H 90 9.688 8.886 0.802 1
1 1109 . 17 1 1 A 90 90 ASN HA H 90 4.281 4.313 -0.032 1
1 1114 . 17 1 1 A 90 90 ASN C C 90 171.418 174.259 -2.841 1
1 1115 . 17 1 1 A 90 90 ASN CA C 90 53.724 53.900 -0.176 1
1 1116 . 17 1 1 A 90 90 ASN CB C 90 36.919 36.102 0.817 1
1 1117 . 17 1 1 A 90 90 ASN N N 90 128.710 125.542 3.168 1
1 1119 . 17 1 1 A 91 91 GLN H H 91 10.928 7.886 3.042 1
1 1120 . 17 1 1 A 91 91 GLN HA H 91 2.586 3.409 -0.823 1
1 1127 . 17 1 1 A 91 91 GLN C C 91 170.146 174.173 -4.027 1
1 1128 . 17 1 1 A 91 91 GLN CA C 91 55.444 56.853 -1.409 1
1 1129 . 17 1 1 A 91 91 GLN CB C 91 23.948 26.358 -2.410 1
1 1131 . 17 1 1 A 91 91 GLN N N 91 112.871 112.614 0.257 1
1 1133 . 17 1 1 A 92 92 ALA H H 92 7.692 7.769 -0.077 1
1 1134 . 17 1 1 A 92 92 ALA HA H 92 4.979 5.285 -0.306 1
1 1138 . 17 1 1 A 92 92 ALA C C 92 174.068 175.203 -1.135 1
1 1139 . 17 1 1 A 92 92 ALA CA C 92 49.792 51.120 -1.328 1
1 1140 . 17 1 1 A 92 92 ALA CB C 92 21.832 23.151 -1.319 1
1 1141 . 17 1 1 A 92 92 ALA N N 92 118.287 118.776 -0.489 1
1 1142 . 17 1 1 A 93 93 THR H H 93 9.026 9.021 0.005 1
1 1143 . 17 1 1 A 93 93 THR HA H 93 5.281 5.381 -0.100 1
1 1148 . 17 1 1 A 93 93 THR C C 93 170.768 173.562 -2.794 1
1 1149 . 17 1 1 A 93 93 THR CA C 93 58.597 59.869 -1.272 1
1 1150 . 17 1 1 A 93 93 THR CB C 93 70.855 72.162 -1.307 1
1 1152 . 17 1 1 A 93 93 THR N N 93 114.894 113.373 1.521 1
1 1153 . 17 1 1 A 94 94 THR H H 94 8.292 8.717 -0.425 1
1 1154 . 17 1 1 A 94 94 THR HA H 94 4.903 5.008 -0.105 1
1 1159 . 17 1 1 A 94 94 THR CA C 94 58.800 59.277 -0.477 1
1 1160 . 17 1 1 A 94 94 THR CB C 94 71.488 72.374 -0.886 1
1 1162 . 17 1 1 A 94 94 THR N N 94 119.907 117.918 1.989 1
1 1163 . 17 1 1 A 95 95 LYS HA H 95 4.056 3.975 0.081 1
1 1172 . 17 1 1 A 95 95 LYS CA C 95 59.376 59.089 0.287 1
1 1173 . 17 1 1 A 95 95 LYS CB C 95 31.083 32.222 -1.139 1
1 1177 . 17 1 1 A 96 96 THR H H 96 7.773 8.014 -0.241 1
1 1178 . 17 1 1 A 96 96 THR HA H 96 3.798 4.065 -0.267 1
1 1183 . 17 1 1 A 96 96 THR C C 96 171.850 176.803 -4.953 1
1 1184 . 17 1 1 A 96 96 THR CA C 96 64.506 67.035 -2.529 1
1 1185 . 17 1 1 A 96 96 THR CB C 96 68.405 68.664 -0.259 1
1 1187 . 17 1 1 A 96 96 THR N N 96 113.841 116.025 -2.184 1
1 1188 . 17 1 1 A 97 97 THR H H 97 6.795 7.487 -0.692 1
1 1189 . 17 1 1 A 97 97 THR HA H 97 3.604 4.530 -0.926 1
1 1194 . 17 1 1 A 97 97 THR C C 97 171.959 176.622 -4.663 1
1 1195 . 17 1 1 A 97 97 THR CA C 97 61.209 64.109 -2.900 1
1 1196 . 17 1 1 A 97 97 THR CB C 97 67.962 69.144 -1.182 1
1 1198 . 17 1 1 A 97 97 THR N N 97 105.731 110.405 -4.674 1
1 1199 . 17 1 1 A 98 98 PHE H H 98 7.410 8.219 -0.809 1
1 1200 . 17 1 1 A 98 98 PHE HA H 98 4.220 4.172 0.048 1
1 1207 . 17 1 1 A 98 98 PHE C C 98 174.528 177.650 -3.122 1
1 1208 . 17 1 1 A 98 98 PHE CA C 98 61.879 61.583 0.296 1
1 1209 . 17 1 1 A 98 98 PHE CB C 98 38.875 39.207 -0.332 1
1 1214 . 17 1 1 A 98 98 PHE N N 98 126.402 123.526 2.876 1
1 1215 . 17 1 1 A 99 99 LYS H H 99 9.459 8.412 1.047 1
1 1216 . 17 1 1 A 99 99 LYS HA H 99 4.089 3.633 0.456 1
1 1225 . 17 1 1 A 99 99 LYS CA C 99 60.763 61.414 -0.651 1
1 1226 . 17 1 1 A 99 99 LYS CB C 99 28.635 31.212 -2.577 1
1 1230 . 17 1 1 A 99 99 LYS N N 99 121.490 117.652 3.838 1
1 1231 . 17 1 1 A 100 100 PRO HA H 100 4.922 4.624 0.298 1
1 1238 . 17 1 1 A 100 100 PRO C C 100 177.314 179.151 -1.837 1
1 1239 . 17 1 1 A 100 100 PRO CA C 100 66.173 65.862 0.311 1
1 1240 . 17 1 1 A 100 100 PRO CB C 100 31.535 30.913 0.622 1
1 1243 . 17 1 1 A 101 101 ASN H H 101 8.530 8.213 0.317 1
1 1244 . 17 1 1 A 101 101 ASN HA H 101 5.244 4.509 0.735 1
1 1249 . 17 1 1 A 101 101 ASN C C 101 175.204 177.696 -2.492 1
1 1250 . 17 1 1 A 101 101 ASN CA C 101 54.555 55.912 -1.357 1
1 1251 . 17 1 1 A 101 101 ASN CB C 101 36.187 37.753 -1.566 1
1 1252 . 17 1 1 A 101 101 ASN N N 101 115.238 116.052 -0.814 1
1 1254 . 17 1 1 A 102 102 THR H H 102 8.488 7.858 0.630 1
1 1255 . 17 1 1 A 102 102 THR HA H 102 4.184 4.006 0.178 1
1 1260 . 17 1 1 A 102 102 THR C C 102 171.472 176.675 -5.203 1
1 1261 . 17 1 1 A 102 102 THR CA C 102 67.543 64.972 2.571 1
1 1262 . 17 1 1 A 102 102 THR CB C 102 67.001 68.163 -1.162 1
1 1264 . 17 1 1 A 102 102 THR N N 102 120.254 111.739 8.515 1
1 1265 . 17 1 1 A 103 103 TRP H H 103 7.283 7.604 -0.321 1
1 1266 . 17 1 1 A 103 103 TRP HA H 103 3.986 4.327 -0.341 1
1 1275 . 17 1 1 A 103 103 TRP C C 103 175.800 178.199 -2.399 1
1 1276 . 17 1 1 A 103 103 TRP CA C 103 60.856 59.153 1.703 1
1 1277 . 17 1 1 A 103 103 TRP CB C 103 27.948 29.639 -1.691 1
1 1283 . 17 1 1 A 103 103 TRP N N 103 121.763 121.259 0.504 1
1 1285 . 17 1 1 A 104 104 CYS H H 104 8.233 7.676 0.557 1
1 1286 . 17 1 1 A 104 104 CYS HA H 104 4.272 4.104 0.168 1
1 1289 . 17 1 1 A 104 104 CYS C C 104 176.259 176.964 -0.705 1
1 1290 . 17 1 1 A 104 104 CYS CA C 104 65.226 62.364 2.862 1
1 1291 . 17 1 1 A 104 104 CYS CB C 104 26.949 27.134 -0.185 1
1 1292 . 17 1 1 A 104 104 CYS N N 104 118.046 119.203 -1.157 1
1 1293 . 17 1 1 A 105 105 LEU H H 105 8.726 8.194 0.532 1
1 1294 . 17 1 1 A 105 105 LEU HA H 105 4.000 3.924 0.076 1
1 1304 . 17 1 1 A 105 105 LEU C C 105 176.205 179.180 -2.975 1
1 1305 . 17 1 1 A 105 105 LEU CA C 105 57.810 57.862 -0.052 1
1 1306 . 17 1 1 A 105 105 LEU CB C 105 40.484 41.421 -0.937 1
1 1310 . 17 1 1 A 105 105 LEU N N 105 120.557 121.052 -0.495 1
1 1311 . 17 1 1 A 106 106 ARG H H 106 6.990 7.554 -0.564 1
1 1312 . 17 1 1 A 106 106 ARG HA H 106 2.054 2.313 -0.259 1
1 1319 . 17 1 1 A 106 106 ARG C C 106 177.179 178.458 -1.279 1
1 1320 . 17 1 1 A 106 106 ARG CA C 106 57.405 58.794 -1.389 1
1 1321 . 17 1 1 A 106 106 ARG CB C 106 29.269 29.279 -0.010 1
1 1324 . 17 1 1 A 106 106 ARG N N 106 118.050 118.206 -0.156 1
1 1325 . 17 1 1 A 107 107 CYS H H 107 7.623 7.772 -0.149 1
1 1326 . 17 1 1 A 107 107 CYS HA H 107 4.031 4.280 -0.249 1
1 1329 . 17 1 1 A 107 107 CYS C C 107 172.337 175.309 -2.972 1
1 1330 . 17 1 1 A 107 107 CYS CA C 107 63.291 61.210 2.081 1
1 1331 . 17 1 1 A 107 107 CYS CB C 107 26.214 27.117 -0.903 1
1 1332 . 17 1 1 A 107 107 CYS N N 107 117.028 118.265 -1.237 1
1 1333 . 17 1 1 A 108 108 LEU H H 108 7.484 7.229 0.255 1
1 1334 . 17 1 1 A 108 108 LEU HA H 108 4.159 4.316 -0.157 1
1 1344 . 17 1 1 A 108 108 LEU C C 108 174.582 176.961 -2.379 1
1 1345 . 17 1 1 A 108 108 LEU CA C 108 54.203 54.383 -0.180 1
1 1346 . 17 1 1 A 108 108 LEU CB C 108 41.621 42.187 -0.566 1
1 1350 . 17 1 1 A 108 108 LEU N N 108 117.680 117.997 -0.317 1
1 1351 . 17 1 1 A 109 109 TRP H H 109 7.427 7.802 -0.375 1
1 1352 . 17 1 1 A 109 109 TRP HA H 109 4.828 5.022 -0.194 1
1 1361 . 17 1 1 A 109 109 TRP C C 109 173.176 176.418 -3.242 1
1 1362 . 17 1 1 A 109 109 TRP CA C 109 56.353 58.119 -1.766 1
1 1363 . 17 1 1 A 109 109 TRP CB C 109 29.743 30.042 -0.299 1
1 1369 . 17 1 1 A 109 109 TRP N N 109 119.087 121.744 -2.657 1
1 1371 . 17 1 1 A 110 110 SER H H 110 8.199 8.545 -0.346 1
1 1372 . 17 1 1 A 110 110 SER HA H 110 4.688 5.137 -0.449 1
1 1375 . 17 1 1 A 110 110 SER C C 110 171.769 174.446 -2.677 1
1 1376 . 17 1 1 A 110 110 SER CA C 110 56.324 57.734 -1.410 1
1 1377 . 17 1 1 A 110 110 SER CB C 110 64.513 65.000 -0.487 1
1 1378 . 17 1 1 A 110 110 SER N N 110 115.602 117.967 -2.365 1
1 1379 . 17 1 1 A 111 111 THR H H 111 8.268 8.344 -0.076 1
1 1380 . 17 1 1 A 111 111 THR HA H 111 4.425 4.627 -0.202 1
1 1385 . 17 1 1 A 111 111 THR C C 111 171.526 174.508 -2.982 1
1 1386 . 17 1 1 A 111 111 THR CA C 111 60.861 60.409 0.452 1
1 1387 . 17 1 1 A 111 111 THR CB C 111 69.202 71.102 -1.900 1
1 1389 . 17 1 1 A 111 111 THR N N 111 114.394 114.107 0.287 1
1 1390 . 17 1 1 A 112 112 LYS H H 112 8.240 8.215 0.025 1
1 1391 . 17 1 1 A 112 112 LYS HA H 112 4.530 4.181 0.349 1
1 1400 . 17 1 1 A 112 112 LYS CA C 112 53.768 54.942 -1.174 1
1 1401 . 17 1 1 A 112 112 LYS CB C 112 32.067 32.965 -0.898 1
1 1405 . 17 1 1 A 112 112 LYS N N 112 125.207 122.499 2.708 1
1 1406 . 17 1 1 A 113 113 PRO HA H 113 4.380 4.698 -0.318 1
1 1413 . 17 1 1 A 113 113 PRO C C 113 174.095 176.850 -2.755 1
1 1414 . 17 1 1 A 113 113 PRO CA C 113 62.381 62.690 -0.309 1
1 1415 . 17 1 1 A 113 113 PRO CB C 113 31.408 33.031 -1.623 1
1 1418 . 17 1 1 A 114 114 VAL H H 114 8.195 8.585 -0.390 1
1 1419 . 17 1 1 A 114 114 VAL HA H 114 4.029 4.567 -0.538 1
1 1427 . 17 1 1 A 114 114 VAL C C 114 173.122 176.051 -2.929 1
1 1428 . 17 1 1 A 114 114 VAL CA C 114 61.335 61.161 0.174 1
1 1429 . 17 1 1 A 114 114 VAL CB C 114 32.153 32.250 -0.097 1
1 1432 . 17 1 1 A 114 114 VAL N N 114 120.113 122.164 -2.051 1
1 1433 . 17 1 1 A 115 115 ASP H H 115 8.345 8.282 0.063 1
1 1434 . 17 1 1 A 115 115 ASP HA H 115 4.592 4.430 0.162 1
1 1437 . 17 1 1 A 115 115 ASP C C 115 172.608 176.317 -3.709 1
1 1438 . 17 1 1 A 115 115 ASP CA C 115 53.202 55.466 -2.264 1
1 1439 . 17 1 1 A 115 115 ASP CB C 115 40.552 39.525 1.027 1
1 1440 . 17 1 1 A 115 115 ASP N N 115 123.853 122.355 1.498 1
1 1 . 18 1 1 A 2 2 TYR HA H 2 4.617 5.066 -0.449 1
1 7 . 18 1 1 A 2 2 TYR C C 2 172.716 173.732 -1.016 1
1 8 . 18 1 1 A 2 2 TYR CA C 2 56.943 57.800 -0.857 1
1 9 . 18 1 1 A 2 2 TYR CB C 2 38.050 42.330 -4.280 1
1 14 . 18 1 1 A 2 2 TYR N N 2 121.461 123.522 -2.061 1
1 15 . 18 1 1 A 3 3 THR H H 3 7.984 8.318 -0.334 1
1 16 . 18 1 1 A 3 3 THR HA H 3 4.684 4.609 0.075 1
1 21 . 18 1 1 A 3 3 THR C C 3 170.931 173.960 -3.029 1
1 22 . 18 1 1 A 3 3 THR CA C 3 60.870 60.804 0.066 1
1 23 . 18 1 1 A 3 3 THR CB C 3 69.270 69.722 -0.452 1
1 25 . 18 1 1 A 3 3 THR N N 3 117.624 122.072 -4.448 1
1 26 . 18 1 1 A 4 4 GLU H H 4 8.290 6.877 1.413 1
1 27 . 18 1 1 A 4 4 GLU HA H 4 4.183 3.686 0.497 1
1 32 . 18 1 1 A 4 4 GLU C C 4 173.013 175.269 -2.256 1
1 33 . 18 1 1 A 4 4 GLU CA C 4 55.876 56.216 -0.340 1
1 34 . 18 1 1 A 4 4 GLU CB C 4 29.779 29.347 0.432 1
1 36 . 18 1 1 A 4 4 GLU N N 4 123.377 119.045 4.332 1
1 37 . 18 1 1 A 5 5 GLN H H 5 8.329 8.314 0.015 1
1 38 . 18 1 1 A 5 5 GLN HA H 5 4.392 4.308 0.084 1
1 43 . 18 1 1 A 5 5 GLN CA C 5 52.634 53.791 -1.157 1
1 44 . 18 1 1 A 5 5 GLN CB C 5 28.759 29.293 -0.534 1
1 46 . 18 1 1 A 5 5 GLN N N 5 122.599 121.537 1.062 1
1 47 . 18 1 1 A 6 6 PRO HA H 6 4.323 4.695 -0.372 1
1 54 . 18 1 1 A 6 6 PRO C C 6 173.636 176.242 -2.606 1
1 55 . 18 1 1 A 6 6 PRO CA C 6 62.080 62.313 -0.233 1
1 56 . 18 1 1 A 6 6 PRO CB C 6 30.785 32.478 -1.693 1
1 59 . 18 1 1 A 7 7 ILE H H 7 8.160 8.214 -0.054 1
1 60 . 18 1 1 A 7 7 ILE HA H 7 3.871 4.164 -0.293 1
1 70 . 18 1 1 A 7 7 ILE C C 7 172.770 175.425 -2.655 1
1 71 . 18 1 1 A 7 7 ILE CA C 7 60.589 60.607 -0.018 1
1 72 . 18 1 1 A 7 7 ILE CB C 7 38.318 36.104 2.214 1
1 76 . 18 1 1 A 7 7 ILE N N 7 121.913 121.411 0.502 1
1 77 . 18 1 1 A 8 8 ASP H H 8 8.126 8.741 -0.615 1
1 78 . 18 1 1 A 8 8 ASP HA H 8 4.584 4.108 0.476 1
1 81 . 18 1 1 A 8 8 ASP C C 8 171.742 175.373 -3.631 1
1 82 . 18 1 1 A 8 8 ASP CA C 8 53.265 55.413 -2.148 1
1 83 . 18 1 1 A 8 8 ASP CB C 8 39.521 39.714 -0.193 1
1 84 . 18 1 1 A 8 8 ASP N N 8 124.858 122.207 2.651 1
1 85 . 18 1 1 A 9 9 LEU H H 9 7.374 8.007 -0.633 1
1 86 . 18 1 1 A 9 9 LEU HA H 9 4.506 4.162 0.344 1
1 96 . 18 1 1 A 9 9 LEU C C 9 174.041 176.032 -1.991 1
1 97 . 18 1 1 A 9 9 LEU CA C 9 53.779 55.408 -1.629 1
1 98 . 18 1 1 A 9 9 LEU CB C 9 43.411 41.932 1.479 1
1 102 . 18 1 1 A 9 9 LEU N N 9 122.151 120.147 2.004 1
1 103 . 18 1 1 A 10 10 VAL H H 10 8.827 8.539 0.288 1
1 104 . 18 1 1 A 10 10 VAL HA H 10 4.841 4.916 -0.075 1
1 112 . 18 1 1 A 10 10 VAL CA C 10 57.706 58.501 -0.795 1
1 113 . 18 1 1 A 10 10 VAL CB C 10 33.895 35.074 -1.179 1
1 116 . 18 1 1 A 10 10 VAL N N 10 120.738 118.914 1.824 1
1 117 . 18 1 1 A 11 11 PRO HA H 11 4.766 4.885 -0.119 1
1 124 . 18 1 1 A 11 11 PRO C C 11 173.149 175.298 -2.149 1
1 125 . 18 1 1 A 11 11 PRO CA C 11 62.417 62.881 -0.464 1
1 126 . 18 1 1 A 11 11 PRO CB C 11 32.119 32.255 -0.136 1
1 129 . 18 1 1 A 12 12 THR H H 12 7.408 8.451 -1.043 1
1 130 . 18 1 1 A 12 12 THR HA H 12 4.280 4.880 -0.600 1
1 135 . 18 1 1 A 12 12 THR C C 12 166.981 172.194 -5.213 1
1 136 . 18 1 1 A 12 12 THR CA C 12 59.142 59.437 -0.295 1
1 137 . 18 1 1 A 12 12 THR CB C 12 68.812 70.574 -1.762 1
1 139 . 18 1 1 A 12 12 THR N N 12 115.177 116.953 -1.776 1
1 140 . 18 1 1 A 13 13 GLN H H 13 7.953 8.659 -0.706 1
1 141 . 18 1 1 A 13 13 GLN HA H 13 5.073 4.942 0.131 1
1 146 . 18 1 1 A 13 13 GLN CA C 13 52.836 52.924 -0.088 1
1 147 . 18 1 1 A 13 13 GLN CB C 13 28.566 32.217 -3.651 1
1 149 . 18 1 1 A 13 13 GLN N N 13 113.324 121.040 -7.716 1
1 150 . 18 1 1 A 14 14 PRO HA H 14 4.340 4.570 -0.230 1
1 157 . 18 1 1 A 14 14 PRO C C 14 173.392 176.576 -3.184 1
1 158 . 18 1 1 A 14 14 PRO CA C 14 62.498 62.369 0.129 1
1 159 . 18 1 1 A 14 14 PRO CB C 14 31.565 32.400 -0.835 1
1 162 . 18 1 1 A 15 15 LEU H H 15 8.764 8.359 0.405 1
1 163 . 18 1 1 A 15 15 LEU HA H 15 4.511 4.514 -0.003 1
1 173 . 18 1 1 A 15 15 LEU CA C 15 52.597 53.433 -0.836 1
1 174 . 18 1 1 A 15 15 LEU CB C 15 40.769 40.981 -0.212 1
1 178 . 18 1 1 A 15 15 LEU N N 15 124.665 123.880 0.785 1
1 179 . 18 1 1 A 16 16 PRO HA H 16 4.325 4.355 -0.030 1
1 186 . 18 1 1 A 16 16 PRO CA C 16 63.358 63.408 -0.050 1
1 187 . 18 1 1 A 16 16 PRO CB C 16 31.187 32.259 -1.072 1
1 190 . 18 1 1 A 17 17 ASN H H 17 8.682 8.972 -0.290 1
1 191 . 18 1 1 A 17 17 ASN HA H 17 4.586 4.341 0.245 1
1 196 . 18 1 1 A 17 17 ASN C C 17 174.691 174.621 0.070 1
1 197 . 18 1 1 A 17 17 ASN CA C 17 52.745 55.106 -2.361 1
1 198 . 18 1 1 A 17 17 ASN CB C 17 36.762 37.216 -0.454 1
1 199 . 18 1 1 A 17 17 ASN N N 17 114.315 114.556 -0.241 1
1 201 . 18 1 1 A 18 18 ALA H H 18 7.283 7.424 -0.141 1
1 202 . 18 1 1 A 18 18 ALA HA H 18 4.569 4.704 -0.135 1
1 206 . 18 1 1 A 18 18 ALA C C 18 174.041 176.869 -2.828 1
1 207 . 18 1 1 A 18 18 ALA CA C 18 51.618 53.105 -1.487 1
1 208 . 18 1 1 A 18 18 ALA CB C 18 20.698 19.958 0.740 1
1 209 . 18 1 1 A 18 18 ALA N N 18 121.620 123.089 -1.469 1
1 210 . 18 1 1 A 19 19 SER H H 19 8.744 8.895 -0.151 1
1 211 . 18 1 1 A 19 19 SER HA H 19 4.479 4.824 -0.345 1
1 214 . 18 1 1 A 19 19 SER C C 19 169.984 172.348 -2.364 1
1 215 . 18 1 1 A 19 19 SER CA C 19 56.634 57.045 -0.411 1
1 216 . 18 1 1 A 19 19 SER CB C 19 65.044 66.128 -1.084 1
1 217 . 18 1 1 A 19 19 SER N N 19 113.995 114.143 -0.148 1
1 218 . 18 1 1 A 20 20 PHE H H 20 7.753 7.742 0.011 1
1 219 . 18 1 1 A 20 20 PHE HA H 20 3.514 3.912 -0.398 1
1 226 . 18 1 1 A 20 20 PHE C C 20 172.635 174.340 -1.705 1
1 227 . 18 1 1 A 20 20 PHE CA C 20 58.070 58.786 -0.716 1
1 228 . 18 1 1 A 20 20 PHE CB C 20 37.588 39.083 -1.495 1
1 233 . 18 1 1 A 20 20 PHE N N 20 124.690 124.301 0.389 1
1 234 . 18 1 1 A 21 21 ASP H H 21 8.288 7.193 1.095 1
1 235 . 18 1 1 A 21 21 ASP HA H 21 4.351 4.617 -0.266 1
1 238 . 18 1 1 A 21 21 ASP CA C 21 51.826 52.442 -0.616 1
1 239 . 18 1 1 A 21 21 ASP CB C 21 38.598 44.195 -5.597 1
1 240 . 18 1 1 A 21 21 ASP N N 21 127.080 126.225 0.855 1
1 241 . 18 1 1 A 22 22 ASN HA H 22 3.766 4.496 -0.730 1
1 246 . 18 1 1 A 22 22 ASN C C 22 171.688 174.901 -3.213 1
1 247 . 18 1 1 A 22 22 ASN CA C 22 54.954 53.926 1.028 1
1 248 . 18 1 1 A 22 22 ASN CB C 22 37.641 38.125 -0.484 1
1 250 . 18 1 1 A 23 23 PHE H H 23 5.484 7.589 -2.105 1
1 251 . 18 1 1 A 23 23 PHE HA H 23 4.804 4.553 0.251 1
1 259 . 18 1 1 A 23 23 PHE C C 23 169.768 174.991 -5.223 1
1 260 . 18 1 1 A 23 23 PHE CA C 23 54.649 57.898 -3.249 1
1 261 . 18 1 1 A 23 23 PHE CB C 23 39.850 39.199 0.651 1
1 267 . 18 1 1 A 23 23 PHE N N 23 112.858 117.026 -4.168 1
1 268 . 18 1 1 A 24 24 LYS H H 24 8.329 8.978 -0.649 1
1 269 . 18 1 1 A 24 24 LYS HA H 24 3.719 3.773 -0.054 1
1 278 . 18 1 1 A 24 24 LYS C C 24 171.959 176.308 -4.349 1
1 279 . 18 1 1 A 24 24 LYS CA C 24 53.756 55.574 -1.818 1
1 280 . 18 1 1 A 24 24 LYS CB C 24 36.279 32.894 3.385 1
1 284 . 18 1 1 A 24 24 LYS N N 24 119.724 123.496 -3.772 1
1 285 . 18 1 1 A 25 25 LEU H H 25 9.144 8.361 0.783 1
1 286 . 18 1 1 A 25 25 LEU HA H 25 5.462 5.236 0.226 1
1 296 . 18 1 1 A 25 25 LEU C C 25 174.609 175.776 -1.167 1
1 297 . 18 1 1 A 25 25 LEU CA C 25 53.208 52.870 0.338 1
1 298 . 18 1 1 A 25 25 LEU CB C 25 41.419 44.844 -3.425 1
1 302 . 18 1 1 A 25 25 LEU N N 25 126.849 121.701 5.148 1
1 303 . 18 1 1 A 26 26 THR H H 26 8.956 8.524 0.432 1
1 304 . 18 1 1 A 26 26 THR HA H 26 4.471 5.289 -0.818 1
1 309 . 18 1 1 A 26 26 THR C C 26 169.524 173.002 -3.478 1
1 310 . 18 1 1 A 26 26 THR CA C 26 58.769 59.901 -1.132 1
1 311 . 18 1 1 A 26 26 THR CB C 26 69.971 72.290 -2.319 1
1 313 . 18 1 1 A 26 26 THR N N 26 113.907 111.338 2.569 1
1 314 . 18 1 1 A 27 27 CYS H H 27 8.507 8.581 -0.074 1
1 315 . 18 1 1 A 27 27 CYS HA H 27 4.509 4.840 -0.331 1
1 318 . 18 1 1 A 27 27 CYS C C 27 169.984 174.587 -4.603 1
1 319 . 18 1 1 A 27 27 CYS CA C 27 57.948 57.903 0.045 1
1 320 . 18 1 1 A 27 27 CYS CB C 27 29.529 31.008 -1.479 1
1 321 . 18 1 1 A 27 27 CYS N N 27 120.842 118.851 1.991 1
1 322 . 18 1 1 A 28 28 SER H H 28 9.044 8.825 0.219 1
1 323 . 18 1 1 A 28 28 SER HA H 28 4.140 4.197 -0.057 1
1 326 . 18 1 1 A 28 28 SER C C 28 172.716 175.043 -2.327 1
1 327 . 18 1 1 A 28 28 SER CA C 28 60.986 61.532 -0.546 1
1 328 . 18 1 1 A 28 28 SER CB C 28 61.437 62.989 -1.552 1
1 329 . 18 1 1 A 28 28 SER N N 28 124.898 120.280 4.618 1
1 330 . 18 1 1 A 29 29 ASN H H 29 7.825 8.053 -0.228 1
1 331 . 18 1 1 A 29 29 ASN HA H 29 4.951 4.834 0.117 1
1 336 . 18 1 1 A 29 29 ASN C C 29 171.688 175.818 -4.130 1
1 337 . 18 1 1 A 29 29 ASN CA C 29 52.155 52.585 -0.430 1
1 338 . 18 1 1 A 29 29 ASN CB C 29 36.980 38.970 -1.990 1
1 339 . 18 1 1 A 29 29 ASN N N 29 121.001 118.875 2.126 1
1 341 . 18 1 1 A 30 30 THR H H 30 8.062 8.734 -0.672 1
1 342 . 18 1 1 A 30 30 THR HA H 30 3.901 3.946 -0.045 1
1 347 . 18 1 1 A 30 30 THR C C 30 173.338 176.607 -3.269 1
1 348 . 18 1 1 A 30 30 THR CA C 30 64.874 66.267 -1.393 1
1 349 . 18 1 1 A 30 30 THR CB C 30 67.715 68.294 -0.579 1
1 351 . 18 1 1 A 30 30 THR N N 30 119.799 118.997 0.802 1
1 352 . 18 1 1 A 31 31 LYS H H 31 8.015 7.897 0.118 1
1 353 . 18 1 1 A 31 31 LYS HA H 31 4.119 3.947 0.172 1
1 362 . 18 1 1 A 31 31 LYS C C 31 174.231 178.720 -4.489 1
1 363 . 18 1 1 A 31 31 LYS CA C 31 58.286 59.759 -1.473 1
1 364 . 18 1 1 A 31 31 LYS CB C 31 31.547 32.222 -0.675 1
1 368 . 18 1 1 A 31 31 LYS N N 31 122.845 122.494 0.351 1
1 369 . 18 1 1 A 32 32 PHE H H 32 7.739 8.079 -0.340 1
1 370 . 18 1 1 A 32 32 PHE HA H 32 4.652 4.271 0.381 1
1 378 . 18 1 1 A 32 32 PHE C C 32 174.691 177.500 -2.809 1
1 379 . 18 1 1 A 32 32 PHE CA C 32 59.954 61.992 -2.038 1
1 380 . 18 1 1 A 32 32 PHE CB C 32 38.444 39.390 -0.946 1
1 386 . 18 1 1 A 32 32 PHE N N 32 120.100 121.193 -1.093 1
1 387 . 18 1 1 A 33 33 ALA H H 33 6.955 8.583 -1.628 1
1 388 . 18 1 1 A 33 33 ALA HA H 33 3.555 4.070 -0.515 1
1 392 . 18 1 1 A 33 33 ALA C C 33 175.502 179.502 -4.000 1
1 393 . 18 1 1 A 33 33 ALA CA C 33 54.703 55.133 -0.430 1
1 394 . 18 1 1 A 33 33 ALA CB C 33 17.085 18.241 -1.156 1
1 395 . 18 1 1 A 33 33 ALA N N 33 116.140 121.021 -4.881 1
1 396 . 18 1 1 A 34 34 ASP H H 34 8.795 8.365 0.430 1
1 397 . 18 1 1 A 34 34 ASP HA H 34 4.367 4.380 -0.013 1
1 400 . 18 1 1 A 34 34 ASP C C 34 176.854 178.023 -1.169 1
1 401 . 18 1 1 A 34 34 ASP CA C 34 56.911 56.835 0.076 1
1 402 . 18 1 1 A 34 34 ASP CB C 34 39.495 40.908 -1.413 1
1 403 . 18 1 1 A 34 34 ASP N N 34 118.170 118.671 -0.501 1
1 404 . 18 1 1 A 35 35 ASP H H 35 8.791 8.385 0.406 1
1 405 . 18 1 1 A 35 35 ASP HA H 35 4.360 4.337 0.023 1
1 408 . 18 1 1 A 35 35 ASP C C 35 177.233 178.698 -1.465 1
1 409 . 18 1 1 A 35 35 ASP CA C 35 56.890 57.958 -1.068 1
1 410 . 18 1 1 A 35 35 ASP CB C 35 39.291 41.551 -2.260 1
1 411 . 18 1 1 A 35 35 ASP N N 35 121.921 120.036 1.885 1
1 412 . 18 1 1 A 36 36 LEU H H 36 7.792 7.815 -0.023 1
1 413 . 18 1 1 A 36 36 LEU HA H 36 4.162 3.974 0.188 1
1 423 . 18 1 1 A 36 36 LEU C C 36 176.097 179.500 -3.403 1
1 424 . 18 1 1 A 36 36 LEU CA C 36 57.508 58.071 -0.563 1
1 425 . 18 1 1 A 36 36 LEU CB C 36 41.523 41.412 0.111 1
1 429 . 18 1 1 A 36 36 LEU N N 36 121.822 120.130 1.692 1
1 430 . 18 1 1 A 37 37 ASN H H 37 9.015 8.668 0.347 1
1 431 . 18 1 1 A 37 37 ASN HA H 37 4.733 4.571 0.162 1
1 436 . 18 1 1 A 37 37 ASN C C 37 176.232 178.552 -2.320 1
1 437 . 18 1 1 A 37 37 ASN CA C 37 54.288 56.457 -2.169 1
1 438 . 18 1 1 A 37 37 ASN CB C 37 37.337 37.900 -0.563 1
1 439 . 18 1 1 A 37 37 ASN N N 37 116.904 117.600 -0.696 1
1 441 . 18 1 1 A 38 38 GLN H H 38 8.218 7.760 0.458 1
1 442 . 18 1 1 A 38 38 GLN HA H 38 4.074 4.220 -0.146 1
1 447 . 18 1 1 A 38 38 GLN C C 38 175.773 177.860 -2.087 1
1 448 . 18 1 1 A 38 38 GLN CA C 38 58.134 58.427 -0.293 1
1 449 . 18 1 1 A 38 38 GLN CB C 38 27.676 28.372 -0.696 1
1 451 . 18 1 1 A 38 38 GLN N N 38 121.443 120.380 1.063 1
1 452 . 18 1 1 A 39 39 MET H H 39 7.487 8.039 -0.552 1
1 453 . 18 1 1 A 39 39 MET HA H 39 3.967 4.438 -0.471 1
1 461 . 18 1 1 A 39 39 MET C C 39 176.259 177.973 -1.714 1
1 462 . 18 1 1 A 39 39 MET CA C 39 58.374 58.039 0.335 1
1 463 . 18 1 1 A 39 39 MET CB C 39 33.000 33.370 -0.370 1
1 466 . 18 1 1 A 39 39 MET N N 39 118.793 118.623 0.170 1
1 467 . 18 1 1 A 40 40 THR H H 40 7.873 7.562 0.311 1
1 468 . 18 1 1 A 40 40 THR HA H 40 3.769 3.949 -0.180 1
1 473 . 18 1 1 A 40 40 THR C C 40 173.906 175.628 -1.722 1
1 474 . 18 1 1 A 40 40 THR CA C 40 61.739 62.828 -1.089 1
1 475 . 18 1 1 A 40 40 THR CB C 40 68.427 69.510 -1.083 1
1 477 . 18 1 1 A 40 40 THR N N 40 108.945 108.540 0.405 1
1 478 . 18 1 1 A 41 41 GLY H H 41 7.199 7.426 -0.227 1
1 479 . 18 1 1 A 41 41 GLY HA2 H 41 3.899 3.839 0.060 1
1 480 . 18 1 1 A 41 41 GLY HA3 H 41 3.662 3.848 -0.186 1
1 481 . 18 1 1 A 41 41 GLY C C 41 171.661 174.345 -2.684 1
1 482 . 18 1 1 A 41 41 GLY CA C 41 44.926 45.563 -0.637 1
1 483 . 18 1 1 A 41 41 GLY N N 41 106.430 111.073 -4.643 1
1 484 . 18 1 1 A 42 42 PHE H H 42 7.876 7.757 0.119 1
1 485 . 18 1 1 A 42 42 PHE HA H 42 4.682 4.525 0.157 1
1 493 . 18 1 1 A 42 42 PHE C C 42 171.499 174.734 -3.235 1
1 494 . 18 1 1 A 42 42 PHE CA C 42 57.793 59.291 -1.498 1
1 495 . 18 1 1 A 42 42 PHE CB C 42 39.422 39.737 -0.315 1
1 501 . 18 1 1 A 42 42 PHE N N 42 122.221 121.626 0.595 1
1 502 . 18 1 1 A 43 43 THR H H 43 8.418 8.382 0.036 1
1 503 . 18 1 1 A 43 43 THR HA H 43 3.665 4.167 -0.502 1
1 508 . 18 1 1 A 43 43 THR C C 43 168.767 172.892 -4.125 1
1 509 . 18 1 1 A 43 43 THR CA C 43 59.002 60.474 -1.472 1
1 510 . 18 1 1 A 43 43 THR CB C 43 70.919 72.219 -1.300 1
1 512 . 18 1 1 A 43 43 THR N N 43 123.470 122.506 0.964 1
1 513 . 18 1 1 A 44 44 LYS H H 44 7.999 8.092 -0.093 1
1 514 . 18 1 1 A 44 44 LYS HA H 44 3.924 4.650 -0.726 1
1 523 . 18 1 1 A 44 44 LYS CA C 44 54.785 54.460 0.325 1
1 524 . 18 1 1 A 44 44 LYS CB C 44 31.047 31.267 -0.220 1
1 528 . 18 1 1 A 44 44 LYS N N 44 124.728 124.493 0.235 1
1 529 . 18 1 1 A 45 45 PRO HA H 45 4.581 4.573 0.008 1
1 536 . 18 1 1 A 45 45 PRO C C 45 172.770 176.973 -4.203 1
1 537 . 18 1 1 A 45 45 PRO CA C 45 60.970 62.787 -1.817 1
1 538 . 18 1 1 A 45 45 PRO CB C 45 33.754 32.545 1.209 1
1 541 . 18 1 1 A 46 46 ALA H H 46 8.715 8.459 0.256 1
1 542 . 18 1 1 A 46 46 ALA HA H 46 4.674 4.791 -0.117 1
1 546 . 18 1 1 A 46 46 ALA C C 46 175.827 178.002 -2.175 1
1 547 . 18 1 1 A 46 46 ALA CA C 46 50.851 51.771 -0.920 1
1 548 . 18 1 1 A 46 46 ALA CB C 46 20.458 19.709 0.749 1
1 549 . 18 1 1 A 46 46 ALA N N 46 123.249 125.097 -1.848 1
1 550 . 18 1 1 A 47 47 SER H H 47 8.518 9.052 -0.534 1
1 551 . 18 1 1 A 47 47 SER HA H 47 4.202 4.356 -0.154 1
1 554 . 18 1 1 A 47 47 SER C C 47 171.769 174.377 -2.608 1
1 555 . 18 1 1 A 47 47 SER CA C 47 58.740 61.245 -2.505 1
1 556 . 18 1 1 A 47 47 SER CB C 47 62.419 63.443 -1.024 1
1 557 . 18 1 1 A 47 47 SER N N 47 117.696 115.224 2.472 1
1 558 . 18 1 1 A 48 48 ARG H H 48 7.276 7.794 -0.518 1
1 559 . 18 1 1 A 48 48 ARG HA H 48 4.466 4.807 -0.341 1
1 566 . 18 1 1 A 48 48 ARG C C 48 170.417 173.751 -3.334 1
1 567 . 18 1 1 A 48 48 ARG CA C 48 54.164 54.390 -0.226 1
1 568 . 18 1 1 A 48 48 ARG CB C 48 29.775 33.546 -3.771 1
1 571 . 18 1 1 A 48 48 ARG N N 48 115.830 116.290 -0.460 1
1 572 . 18 1 1 A 49 49 GLU H H 49 8.681 8.655 0.026 1
1 573 . 18 1 1 A 49 49 GLU HA H 49 5.373 5.144 0.229 1
1 578 . 18 1 1 A 49 49 GLU C C 49 172.716 175.868 -3.152 1
1 579 . 18 1 1 A 49 49 GLU CA C 49 53.744 55.063 -1.319 1
1 580 . 18 1 1 A 49 49 GLU CB C 49 32.057 31.323 0.734 1
1 582 . 18 1 1 A 49 49 GLU N N 49 119.800 119.071 0.729 1
1 583 . 18 1 1 A 50 50 LEU H H 50 8.720 8.990 -0.270 1
1 584 . 18 1 1 A 50 50 LEU HA H 50 4.821 4.366 0.455 1
1 594 . 18 1 1 A 50 50 LEU C C 50 171.932 176.592 -4.660 1
1 595 . 18 1 1 A 50 50 LEU CA C 50 52.447 54.955 -2.508 1
1 596 . 18 1 1 A 50 50 LEU CB C 50 44.748 42.422 2.326 1
1 600 . 18 1 1 A 50 50 LEU N N 50 124.747 126.532 -1.785 1
1 601 . 18 1 1 A 51 51 SER H H 51 9.560 8.540 1.020 1
1 602 . 18 1 1 A 51 51 SER HA H 51 4.881 5.308 -0.427 1
1 605 . 18 1 1 A 51 51 SER C C 51 171.769 172.861 -1.092 1
1 606 . 18 1 1 A 51 51 SER CA C 51 55.707 56.903 -1.196 1
1 607 . 18 1 1 A 51 51 SER CB C 51 64.701 65.695 -0.994 1
1 608 . 18 1 1 A 51 51 SER N N 51 119.156 115.686 3.470 1
1 609 . 18 1 1 A 52 52 VAL H H 52 8.416 8.430 -0.014 1
1 610 . 18 1 1 A 52 52 VAL HA H 52 5.196 5.306 -0.110 1
1 618 . 18 1 1 A 52 52 VAL CA C 52 59.207 60.071 -0.864 1
1 619 . 18 1 1 A 52 52 VAL CB C 52 33.156 35.322 -2.166 1
1 622 . 18 1 1 A 52 52 VAL N N 52 121.797 123.873 -2.076 1
1 623 . 18 1 1 A 53 53 THR H H 53 8.383 8.583 -0.200 1
1 624 . 18 1 1 A 53 53 THR HA H 53 4.358 4.937 -0.579 1
1 629 . 18 1 1 A 53 53 THR C C 53 169.741 172.524 -2.783 1
1 630 . 18 1 1 A 53 53 THR CA C 53 58.375 59.342 -0.967 1
1 631 . 18 1 1 A 53 53 THR CB C 53 70.707 71.856 -1.149 1
1 633 . 18 1 1 A 53 53 THR N N 53 117.287 117.393 -0.106 1
1 634 . 18 1 1 A 54 54 PHE H H 54 8.737 8.792 -0.055 1
1 635 . 18 1 1 A 54 54 PHE HA H 54 4.536 4.885 -0.349 1
1 643 . 18 1 1 A 54 54 PHE C C 54 172.986 175.794 -2.808 1
1 644 . 18 1 1 A 54 54 PHE CA C 54 57.064 56.558 0.506 1
1 645 . 18 1 1 A 54 54 PHE CB C 54 38.755 39.946 -1.191 1
1 651 . 18 1 1 A 54 54 PHE N N 54 118.180 122.313 -4.133 1
1 652 . 18 1 1 A 55 55 PHE H H 55 9.167 8.883 0.284 1
1 653 . 18 1 1 A 55 55 PHE HA H 55 3.715 4.538 -0.823 1
1 660 . 18 1 1 A 55 55 PHE CA C 55 57.908 57.144 0.764 1
1 661 . 18 1 1 A 55 55 PHE CB C 55 39.594 38.877 0.717 1
1 666 . 18 1 1 A 55 55 PHE N N 55 128.290 123.592 4.698 1
1 667 . 18 1 1 A 56 56 PRO HA H 56 2.356 4.012 -1.656 1
1 674 . 18 1 1 A 56 56 PRO C C 56 171.012 174.788 -3.776 1
1 675 . 18 1 1 A 56 56 PRO CA C 56 62.611 61.984 0.627 1
1 676 . 18 1 1 A 56 56 PRO CB C 56 32.522 30.101 2.421 1
1 679 . 18 1 1 A 57 57 ASP H H 57 9.009 8.337 0.672 1
1 680 . 18 1 1 A 57 57 ASP HA H 57 4.289 4.768 -0.479 1
1 683 . 18 1 1 A 57 57 ASP C C 57 173.257 174.753 -1.496 1
1 684 . 18 1 1 A 57 57 ASP CA C 57 53.752 53.864 -0.112 1
1 685 . 18 1 1 A 57 57 ASP CB C 57 40.067 42.733 -2.666 1
1 686 . 18 1 1 A 57 57 ASP N N 57 127.876 122.409 5.467 1
1 687 . 18 1 1 A 58 58 LEU H H 58 8.368 8.534 -0.166 1
1 688 . 18 1 1 A 58 58 LEU HA H 58 4.229 4.864 -0.635 1
1 698 . 18 1 1 A 58 58 LEU C C 58 174.285 177.346 -3.061 1
1 699 . 18 1 1 A 58 58 LEU CA C 58 52.468 53.687 -1.219 1
1 700 . 18 1 1 A 58 58 LEU CB C 58 40.258 41.828 -1.570 1
1 704 . 18 1 1 A 58 58 LEU N N 58 128.010 120.943 7.067 1
1 705 . 18 1 1 A 59 59 ASN H H 59 8.430 8.317 0.113 1
1 706 . 18 1 1 A 59 59 ASN HA H 59 4.198 4.670 -0.472 1
1 711 . 18 1 1 A 59 59 ASN C C 59 173.636 176.335 -2.699 1
1 712 . 18 1 1 A 59 59 ASN CA C 59 54.945 54.722 0.223 1
1 713 . 18 1 1 A 59 59 ASN CB C 59 38.175 39.175 -1.000 1
1 714 . 18 1 1 A 59 59 ASN N N 59 116.745 117.558 -0.813 1
1 716 . 18 1 1 A 60 60 GLY H H 60 8.083 7.813 0.270 1
1 717 . 18 1 1 A 60 60 GLY HA2 H 60 3.766 3.996 -0.230 1
1 718 . 18 1 1 A 60 60 GLY HA3 H 60 3.326 4.016 -0.690 1
1 719 . 18 1 1 A 60 60 GLY C C 60 169.876 174.363 -4.487 1
1 720 . 18 1 1 A 60 60 GLY CA C 60 44.285 44.990 -0.705 1
1 721 . 18 1 1 A 60 60 GLY N N 60 110.045 107.696 2.349 1
1 722 . 18 1 1 A 61 61 ASP H H 61 8.084 8.184 -0.100 1
1 723 . 18 1 1 A 61 61 ASP HA H 61 4.200 4.285 -0.085 1
1 726 . 18 1 1 A 61 61 ASP C C 61 172.283 176.441 -4.158 1
1 727 . 18 1 1 A 61 61 ASP CA C 61 56.865 56.719 0.146 1
1 728 . 18 1 1 A 61 61 ASP CB C 61 42.113 40.863 1.250 1
1 729 . 18 1 1 A 61 61 ASP N N 61 121.395 119.566 1.829 1
1 730 . 18 1 1 A 62 62 VAL H H 62 8.387 7.916 0.471 1
1 731 . 18 1 1 A 62 62 VAL HA H 62 4.096 4.652 -0.556 1
1 739 . 18 1 1 A 62 62 VAL C C 62 171.255 174.670 -3.415 1
1 740 . 18 1 1 A 62 62 VAL CA C 62 58.914 60.426 -1.512 1
1 741 . 18 1 1 A 62 62 VAL CB C 62 34.433 35.220 -0.787 1
1 744 . 18 1 1 A 62 62 VAL N N 62 117.701 117.987 -0.286 1
1 745 . 18 1 1 A 63 63 VAL H H 63 8.251 8.521 -0.270 1
1 746 . 18 1 1 A 63 63 VAL HA H 63 4.637 4.948 -0.311 1
1 754 . 18 1 1 A 63 63 VAL C C 63 171.282 174.405 -3.123 1
1 755 . 18 1 1 A 63 63 VAL CA C 63 59.233 59.911 -0.678 1
1 756 . 18 1 1 A 63 63 VAL CB C 63 33.531 35.816 -2.285 1
1 759 . 18 1 1 A 63 63 VAL N N 63 125.341 124.199 1.142 1
1 760 . 18 1 1 A 64 64 ALA H H 64 9.316 8.526 0.790 1
1 761 . 18 1 1 A 64 64 ALA HA H 64 5.036 5.351 -0.315 1
1 765 . 18 1 1 A 64 64 ALA C C 64 173.825 175.365 -1.540 1
1 766 . 18 1 1 A 64 64 ALA CA C 64 49.059 50.487 -1.428 1
1 767 . 18 1 1 A 64 64 ALA CB C 64 20.323 23.283 -2.960 1
1 768 . 18 1 1 A 64 64 ALA N N 64 128.526 124.579 3.947 1
1 769 . 18 1 1 A 65 65 ILE H H 65 9.451 9.183 0.268 1
1 770 . 18 1 1 A 65 65 ILE HA H 65 4.475 4.786 -0.311 1
1 780 . 18 1 1 A 65 65 ILE C C 65 172.121 174.899 -2.778 1
1 781 . 18 1 1 A 65 65 ILE CA C 65 56.490 59.395 -2.905 1
1 782 . 18 1 1 A 65 65 ILE CB C 65 37.474 41.629 -4.155 1
1 786 . 18 1 1 A 65 65 ILE N N 65 126.677 120.425 6.252 1
1 787 . 18 1 1 A 66 66 ASP H H 66 9.165 8.797 0.368 1
1 788 . 18 1 1 A 66 66 ASP HA H 66 4.045 4.477 -0.432 1
1 791 . 18 1 1 A 66 66 ASP C C 66 174.663 177.415 -2.752 1
1 792 . 18 1 1 A 66 66 ASP CA C 66 54.199 54.737 -0.538 1
1 793 . 18 1 1 A 66 66 ASP CB C 66 42.211 42.462 -0.251 1
1 794 . 18 1 1 A 66 66 ASP N N 66 128.723 126.692 2.031 1
1 795 . 18 1 1 A 67 67 TYR H H 67 8.919 9.221 -0.302 1
1 796 . 18 1 1 A 67 67 TYR HA H 67 4.344 4.283 0.061 1
1 801 . 18 1 1 A 67 67 TYR C C 67 173.257 177.185 -3.928 1
1 802 . 18 1 1 A 67 67 TYR CA C 67 59.614 61.688 -2.074 1
1 803 . 18 1 1 A 67 67 TYR CB C 67 39.338 39.013 0.325 1
1 806 . 18 1 1 A 67 67 TYR N N 67 127.739 128.433 -0.694 1
1 807 . 18 1 1 A 68 68 ARG H H 68 9.459 8.694 0.765 1
1 808 . 18 1 1 A 68 68 ARG HA H 68 3.923 4.057 -0.134 1
1 815 . 18 1 1 A 68 68 ARG C C 68 174.150 177.299 -3.149 1
1 816 . 18 1 1 A 68 68 ARG CA C 68 57.691 58.439 -0.748 1
1 817 . 18 1 1 A 68 68 ARG CB C 68 27.945 29.881 -1.936 1
1 820 . 18 1 1 A 68 68 ARG N N 68 121.666 118.149 3.517 1
1 821 . 18 1 1 A 69 69 HIS H H 69 8.146 7.928 0.218 1
1 822 . 18 1 1 A 69 69 HIS HA H 69 4.538 4.486 0.052 1
1 826 . 18 1 1 A 69 69 HIS C C 69 171.391 174.587 -3.196 1
1 827 . 18 1 1 A 69 69 HIS CA C 69 55.405 56.138 -0.733 1
1 828 . 18 1 1 A 69 69 HIS CB C 69 29.458 29.532 -0.074 1
1 830 . 18 1 1 A 69 69 HIS N N 69 117.372 116.903 0.469 1
1 831 . 18 1 1 A 70 70 TYR H H 70 7.468 7.263 0.205 1
1 832 . 18 1 1 A 70 70 TYR HA H 70 3.431 3.488 -0.057 1
1 839 . 18 1 1 A 70 70 TYR C C 70 171.904 174.107 -2.203 1
1 840 . 18 1 1 A 70 70 TYR CA C 70 60.020 55.654 4.366 1
1 841 . 18 1 1 A 70 70 TYR CB C 70 37.554 36.861 0.693 1
1 846 . 18 1 1 A 70 70 TYR N N 70 121.636 122.189 -0.553 1
1 847 . 18 1 1 A 71 71 SER H H 71 5.657 8.653 -2.996 1
1 848 . 18 1 1 A 71 71 SER HA H 71 3.958 4.502 -0.544 1
1 851 . 18 1 1 A 71 71 SER C C 71 170.390 174.992 -4.602 1
1 852 . 18 1 1 A 71 71 SER CA C 71 55.267 55.852 -0.585 1
1 853 . 18 1 1 A 71 71 SER CB C 71 64.410 65.371 -0.961 1
1 854 . 18 1 1 A 71 71 SER N N 71 120.240 122.752 -2.512 1
1 855 . 18 1 1 A 72 72 ALA H H 72 8.461 8.760 -0.299 1
1 856 . 18 1 1 A 72 72 ALA HA H 72 3.757 3.805 -0.048 1
1 860 . 18 1 1 A 72 72 ALA CA C 72 54.250 54.603 -0.353 1
1 861 . 18 1 1 A 72 72 ALA CB C 72 17.423 18.266 -0.843 1
1 862 . 18 1 1 A 72 72 ALA N N 72 123.497 127.585 -4.088 1
1 863 . 18 1 1 A 73 73 SER HA H 73 3.904 3.924 -0.020 1
1 866 . 18 1 1 A 73 73 SER C C 73 172.500 175.665 -3.165 1
1 867 . 18 1 1 A 73 73 SER CA C 73 59.873 61.872 -1.999 1
1 868 . 18 1 1 A 73 73 SER CB C 73 61.769 62.825 -1.056 1
1 869 . 18 1 1 A 74 74 PHE H H 74 7.508 7.116 0.392 1
1 870 . 18 1 1 A 74 74 PHE HA H 74 5.163 4.788 0.375 1
1 877 . 18 1 1 A 74 74 PHE C C 74 173.987 176.410 -2.423 1
1 878 . 18 1 1 A 74 74 PHE CA C 74 53.320 58.697 -5.377 1
1 879 . 18 1 1 A 74 74 PHE CB C 74 37.854 38.479 -0.625 1
1 884 . 18 1 1 A 74 74 PHE N N 74 118.853 117.943 0.910 1
1 885 . 18 1 1 A 75 75 LYS H H 75 7.245 7.509 -0.264 1
1 886 . 18 1 1 A 75 75 LYS HA H 75 4.200 4.115 0.085 1
1 895 . 18 1 1 A 75 75 LYS C C 75 173.717 177.516 -3.799 1
1 896 . 18 1 1 A 75 75 LYS CA C 75 59.003 59.248 -0.245 1
1 897 . 18 1 1 A 75 75 LYS CB C 75 31.846 31.888 -0.042 1
1 901 . 18 1 1 A 75 75 LYS N N 75 121.129 122.784 -1.655 1
1 902 . 18 1 1 A 76 76 LYS H H 76 7.841 7.901 -0.060 1
1 903 . 18 1 1 A 76 76 LYS HA H 76 3.738 2.813 0.925 1
1 912 . 18 1 1 A 76 76 LYS C C 76 170.200 175.529 -5.329 1
1 913 . 18 1 1 A 76 76 LYS CA C 76 55.114 54.206 0.908 1
1 914 . 18 1 1 A 76 76 LYS CB C 76 32.393 32.352 0.041 1
1 918 . 18 1 1 A 76 76 LYS N N 76 114.423 116.041 -1.618 1
1 919 . 18 1 1 A 77 77 GLY H H 77 7.239 7.494 -0.255 1
1 920 . 18 1 1 A 77 77 GLY HA2 H 77 3.737 4.042 -0.305 1
1 921 . 18 1 1 A 77 77 GLY HA3 H 77 4.771 4.074 0.697 1
1 922 . 18 1 1 A 77 77 GLY C C 77 170.795 172.567 -1.772 1
1 923 . 18 1 1 A 77 77 GLY CA C 77 43.770 44.250 -0.480 1
1 924 . 18 1 1 A 77 77 GLY N N 77 103.318 107.063 -3.745 1
1 925 . 18 1 1 A 78 78 ALA H H 78 6.868 8.202 -1.334 1
1 926 . 18 1 1 A 78 78 ALA HA H 78 4.982 5.098 -0.116 1
1 930 . 18 1 1 A 78 78 ALA C C 78 171.904 175.892 -3.988 1
1 931 . 18 1 1 A 78 78 ALA CA C 78 49.907 51.182 -1.275 1
1 932 . 18 1 1 A 78 78 ALA CB C 78 22.601 23.594 -0.993 1
1 933 . 18 1 1 A 78 78 ALA N N 78 117.057 120.991 -3.934 1
1 934 . 18 1 1 A 79 79 LYS H H 79 8.765 8.737 0.028 1
1 935 . 18 1 1 A 79 79 LYS HA H 79 4.636 4.883 -0.247 1
1 944 . 18 1 1 A 79 79 LYS C C 79 171.039 174.401 -3.362 1
1 945 . 18 1 1 A 79 79 LYS CA C 79 54.485 53.913 0.572 1
1 946 . 18 1 1 A 79 79 LYS CB C 79 35.963 35.996 -0.033 1
1 950 . 18 1 1 A 79 79 LYS N N 79 117.018 115.577 1.441 1
1 951 . 18 1 1 A 80 80 LEU H H 80 8.782 8.828 -0.046 1
1 952 . 18 1 1 A 80 80 LEU HA H 80 4.459 4.346 0.113 1
1 962 . 18 1 1 A 80 80 LEU C C 80 173.095 177.774 -4.679 1
1 963 . 18 1 1 A 80 80 LEU CA C 80 52.743 53.393 -0.650 1
1 964 . 18 1 1 A 80 80 LEU CB C 80 42.494 44.062 -1.568 1
1 968 . 18 1 1 A 80 80 LEU N N 80 122.496 122.735 -0.239 1
1 969 . 18 1 1 A 81 81 LEU H H 81 8.636 8.638 -0.002 1
1 970 . 18 1 1 A 81 81 LEU HA H 81 3.578 3.979 -0.401 1
1 980 . 18 1 1 A 81 81 LEU CA C 81 57.316 58.724 -1.408 1
1 981 . 18 1 1 A 81 81 LEU CB C 81 39.032 42.176 -3.144 1
1 985 . 18 1 1 A 81 81 LEU N N 81 125.060 125.313 -0.253 1
1 986 . 18 1 1 A 82 82 HIS H H 82 8.379 7.514 0.865 1
1 987 . 18 1 1 A 82 82 HIS HA H 82 4.551 4.776 -0.225 1
1 992 . 18 1 1 A 82 82 HIS C C 82 172.635 173.865 -1.230 1
1 993 . 18 1 1 A 82 82 HIS CA C 82 55.432 55.136 0.296 1
1 994 . 18 1 1 A 82 82 HIS CB C 82 29.646 31.823 -2.177 1
1 997 . 18 1 1 A 82 82 HIS N N 82 114.387 111.335 3.052 1
1 998 . 18 1 1 A 83 83 LYS H H 83 8.023 7.625 0.398 1
1 999 . 18 1 1 A 83 83 LYS HA H 83 4.670 4.456 0.214 1
1 1008 . 18 1 1 A 83 83 LYS CA C 83 52.041 52.922 -0.881 1
1 1009 . 18 1 1 A 83 83 LYS CB C 83 32.741 33.251 -0.510 1
1 1013 . 18 1 1 A 83 83 LYS N N 83 122.886 120.061 2.825 1
1 1014 . 18 1 1 A 84 84 PRO HA H 84 4.585 4.722 -0.137 1
1 1021 . 18 1 1 A 84 84 PRO C C 84 172.797 176.407 -3.610 1
1 1022 . 18 1 1 A 84 84 PRO CA C 84 62.050 62.321 -0.271 1
1 1023 . 18 1 1 A 84 84 PRO CB C 84 32.770 32.433 0.337 1
1 1026 . 18 1 1 A 85 85 ILE H H 85 6.185 8.244 -2.059 1
1 1027 . 18 1 1 A 85 85 ILE HA H 85 5.743 5.396 0.347 1
1 1037 . 18 1 1 A 85 85 ILE C C 85 174.366 174.119 0.247 1
1 1038 . 18 1 1 A 85 85 ILE CA C 85 57.032 58.496 -1.464 1
1 1039 . 18 1 1 A 85 85 ILE CB C 85 41.265 42.127 -0.862 1
1 1043 . 18 1 1 A 85 85 ILE N N 85 107.777 115.822 -8.045 1
1 1044 . 18 1 1 A 86 86 VAL H H 86 7.552 8.722 -1.170 1
1 1045 . 18 1 1 A 86 86 VAL HA H 86 4.278 4.747 -0.469 1
1 1053 . 18 1 1 A 86 86 VAL CA C 86 59.345 58.447 0.898 1
1 1054 . 18 1 1 A 86 86 VAL CB C 86 34.990 35.537 -0.547 1
1 1057 . 18 1 1 A 86 86 VAL N N 86 109.584 116.400 -6.816 1
1 1058 . 18 1 1 A 87 87 TRP H H 87 10.036 8.686 1.350 1
1 1059 . 18 1 1 A 87 87 TRP HA H 87 6.158 5.498 0.660 1
1 1068 . 18 1 1 A 87 87 TRP C C 87 174.393 176.647 -2.254 1
1 1069 . 18 1 1 A 87 87 TRP CA C 87 55.238 56.455 -1.217 1
1 1070 . 18 1 1 A 87 87 TRP CB C 87 32.786 30.803 1.983 1
1 1076 . 18 1 1 A 87 87 TRP N N 87 122.256 123.484 -1.228 1
1 1078 . 18 1 1 A 88 88 HIS H H 88 8.802 9.068 -0.266 1
1 1079 . 18 1 1 A 88 88 HIS HA H 88 5.383 6.013 -0.630 1
1 1085 . 18 1 1 A 88 88 HIS CA C 88 53.902 53.493 0.409 1
1 1086 . 18 1 1 A 88 88 HIS CB C 88 37.553 32.998 4.555 1
1 1089 . 18 1 1 A 88 88 HIS N N 88 116.636 118.056 -1.420 1
1 1090 . 18 1 1 A 89 89 ILE H H 89 9.197 9.023 0.174 1
1 1091 . 18 1 1 A 89 89 ILE HA H 89 4.022 4.278 -0.256 1
1 1101 . 18 1 1 A 89 89 ILE C C 89 174.582 176.120 -1.538 1
1 1102 . 18 1 1 A 89 89 ILE CA C 89 61.042 60.203 0.839 1
1 1103 . 18 1 1 A 89 89 ILE CB C 89 40.176 40.275 -0.099 1
1 1107 . 18 1 1 A 89 89 ILE N N 89 118.669 119.263 -0.594 1
1 1108 . 18 1 1 A 90 90 ASN H H 90 9.688 8.869 0.819 1
1 1109 . 18 1 1 A 90 90 ASN HA H 90 4.281 4.299 -0.018 1
1 1114 . 18 1 1 A 90 90 ASN C C 90 171.418 174.495 -3.077 1
1 1115 . 18 1 1 A 90 90 ASN CA C 90 53.724 53.907 -0.183 1
1 1116 . 18 1 1 A 90 90 ASN CB C 90 36.919 36.041 0.878 1
1 1117 . 18 1 1 A 90 90 ASN N N 90 128.710 125.399 3.311 1
1 1119 . 18 1 1 A 91 91 GLN H H 91 10.928 7.869 3.059 1
1 1120 . 18 1 1 A 91 91 GLN HA H 91 2.586 3.122 -0.536 1
1 1127 . 18 1 1 A 91 91 GLN C C 91 170.146 174.281 -4.135 1
1 1128 . 18 1 1 A 91 91 GLN CA C 91 55.444 56.894 -1.450 1
1 1129 . 18 1 1 A 91 91 GLN CB C 91 23.948 26.173 -2.225 1
1 1131 . 18 1 1 A 91 91 GLN N N 91 112.871 112.234 0.637 1
1 1133 . 18 1 1 A 92 92 ALA H H 92 7.692 7.837 -0.145 1
1 1134 . 18 1 1 A 92 92 ALA HA H 92 4.979 5.238 -0.259 1
1 1138 . 18 1 1 A 92 92 ALA C C 92 174.068 175.770 -1.702 1
1 1139 . 18 1 1 A 92 92 ALA CA C 92 49.792 50.844 -1.052 1
1 1140 . 18 1 1 A 92 92 ALA CB C 92 21.832 22.801 -0.969 1
1 1141 . 18 1 1 A 92 92 ALA N N 92 118.287 120.379 -2.092 1
1 1142 . 18 1 1 A 93 93 THR H H 93 9.026 8.798 0.228 1
1 1143 . 18 1 1 A 93 93 THR HA H 93 5.281 5.352 -0.071 1
1 1148 . 18 1 1 A 93 93 THR C C 93 170.768 173.153 -2.385 1
1 1149 . 18 1 1 A 93 93 THR CA C 93 58.597 60.045 -1.448 1
1 1150 . 18 1 1 A 93 93 THR CB C 93 70.855 71.411 -0.556 1
1 1152 . 18 1 1 A 93 93 THR N N 93 114.894 113.550 1.344 1
1 1153 . 18 1 1 A 94 94 THR H H 94 8.292 8.902 -0.610 1
1 1154 . 18 1 1 A 94 94 THR HA H 94 4.903 5.012 -0.109 1
1 1159 . 18 1 1 A 94 94 THR CA C 94 58.800 59.275 -0.475 1
1 1160 . 18 1 1 A 94 94 THR CB C 94 71.488 71.733 -0.245 1
1 1162 . 18 1 1 A 94 94 THR N N 94 119.907 118.790 1.117 1
1 1163 . 18 1 1 A 95 95 LYS HA H 95 4.056 4.005 0.051 1
1 1172 . 18 1 1 A 95 95 LYS CA C 95 59.376 60.079 -0.703 1
1 1173 . 18 1 1 A 95 95 LYS CB C 95 31.083 31.955 -0.872 1
1 1177 . 18 1 1 A 96 96 THR H H 96 7.773 7.978 -0.205 1
1 1178 . 18 1 1 A 96 96 THR HA H 96 3.798 4.015 -0.217 1
1 1183 . 18 1 1 A 96 96 THR C C 96 171.850 177.007 -5.157 1
1 1184 . 18 1 1 A 96 96 THR CA C 96 64.506 66.299 -1.793 1
1 1185 . 18 1 1 A 96 96 THR CB C 96 68.405 68.542 -0.137 1
1 1187 . 18 1 1 A 96 96 THR N N 96 113.841 115.945 -2.104 1
1 1188 . 18 1 1 A 97 97 THR H H 97 6.795 7.839 -1.044 1
1 1189 . 18 1 1 A 97 97 THR HA H 97 3.604 4.255 -0.651 1
1 1194 . 18 1 1 A 97 97 THR C C 97 171.959 176.658 -4.699 1
1 1195 . 18 1 1 A 97 97 THR CA C 97 61.209 64.277 -3.068 1
1 1196 . 18 1 1 A 97 97 THR CB C 97 67.962 69.051 -1.089 1
1 1198 . 18 1 1 A 97 97 THR N N 97 105.731 110.407 -4.676 1
1 1199 . 18 1 1 A 98 98 PHE H H 98 7.410 8.455 -1.045 1
1 1200 . 18 1 1 A 98 98 PHE HA H 98 4.220 4.133 0.087 1
1 1207 . 18 1 1 A 98 98 PHE C C 98 174.528 177.641 -3.113 1
1 1208 . 18 1 1 A 98 98 PHE CA C 98 61.879 61.532 0.347 1
1 1209 . 18 1 1 A 98 98 PHE CB C 98 38.875 39.103 -0.228 1
1 1214 . 18 1 1 A 98 98 PHE N N 98 126.402 124.122 2.280 1
1 1215 . 18 1 1 A 99 99 LYS H H 99 9.459 7.795 1.664 1
1 1216 . 18 1 1 A 99 99 LYS HA H 99 4.089 3.584 0.505 1
1 1225 . 18 1 1 A 99 99 LYS CA C 99 60.763 61.316 -0.553 1
1 1226 . 18 1 1 A 99 99 LYS CB C 99 28.635 31.113 -2.478 1
1 1230 . 18 1 1 A 99 99 LYS N N 99 121.490 117.314 4.176 1
1 1231 . 18 1 1 A 100 100 PRO HA H 100 4.922 4.542 0.380 1
1 1238 . 18 1 1 A 100 100 PRO C C 100 177.314 178.907 -1.593 1
1 1239 . 18 1 1 A 100 100 PRO CA C 100 66.173 65.290 0.883 1
1 1240 . 18 1 1 A 100 100 PRO CB C 100 31.535 30.775 0.760 1
1 1243 . 18 1 1 A 101 101 ASN H H 101 8.530 8.214 0.316 1
1 1244 . 18 1 1 A 101 101 ASN HA H 101 5.244 4.486 0.758 1
1 1249 . 18 1 1 A 101 101 ASN C C 101 175.204 177.705 -2.501 1
1 1250 . 18 1 1 A 101 101 ASN CA C 101 54.555 55.839 -1.284 1
1 1251 . 18 1 1 A 101 101 ASN CB C 101 36.187 37.941 -1.754 1
1 1252 . 18 1 1 A 101 101 ASN N N 101 115.238 115.650 -0.412 1
1 1254 . 18 1 1 A 102 102 THR H H 102 8.488 7.767 0.721 1
1 1255 . 18 1 1 A 102 102 THR HA H 102 4.184 3.825 0.359 1
1 1260 . 18 1 1 A 102 102 THR C C 102 171.472 176.930 -5.458 1
1 1261 . 18 1 1 A 102 102 THR CA C 102 67.543 65.649 1.894 1
1 1262 . 18 1 1 A 102 102 THR CB C 102 67.001 67.734 -0.733 1
1 1264 . 18 1 1 A 102 102 THR N N 102 120.254 111.892 8.362 1
1 1265 . 18 1 1 A 103 103 TRP H H 103 7.283 7.834 -0.551 1
1 1266 . 18 1 1 A 103 103 TRP HA H 103 3.986 4.371 -0.385 1
1 1275 . 18 1 1 A 103 103 TRP C C 103 175.800 179.083 -3.283 1
1 1276 . 18 1 1 A 103 103 TRP CA C 103 60.856 59.879 0.977 1
1 1277 . 18 1 1 A 103 103 TRP CB C 103 27.948 28.479 -0.531 1
1 1283 . 18 1 1 A 103 103 TRP N N 103 121.763 121.292 0.471 1
1 1285 . 18 1 1 A 104 104 CYS H H 104 8.233 7.979 0.254 1
1 1286 . 18 1 1 A 104 104 CYS HA H 104 4.272 3.991 0.281 1
1 1289 . 18 1 1 A 104 104 CYS C C 104 176.259 177.288 -1.029 1
1 1290 . 18 1 1 A 104 104 CYS CA C 104 65.226 63.030 2.196 1
1 1291 . 18 1 1 A 104 104 CYS CB C 104 26.949 27.711 -0.762 1
1 1292 . 18 1 1 A 104 104 CYS N N 104 118.046 117.943 0.103 1
1 1293 . 18 1 1 A 105 105 LEU H H 105 8.726 8.324 0.402 1
1 1294 . 18 1 1 A 105 105 LEU HA H 105 4.000 3.985 0.015 1
1 1304 . 18 1 1 A 105 105 LEU C C 105 176.205 178.890 -2.685 1
1 1305 . 18 1 1 A 105 105 LEU CA C 105 57.810 57.740 0.070 1
1 1306 . 18 1 1 A 105 105 LEU CB C 105 40.484 41.396 -0.912 1
1 1310 . 18 1 1 A 105 105 LEU N N 105 120.557 120.908 -0.351 1
1 1311 . 18 1 1 A 106 106 ARG H H 106 6.990 7.556 -0.566 1
1 1312 . 18 1 1 A 106 106 ARG HA H 106 2.054 2.764 -0.710 1
1 1319 . 18 1 1 A 106 106 ARG C C 106 177.179 178.799 -1.620 1
1 1320 . 18 1 1 A 106 106 ARG CA C 106 57.405 58.152 -0.747 1
1 1321 . 18 1 1 A 106 106 ARG CB C 106 29.269 29.432 -0.163 1
1 1324 . 18 1 1 A 106 106 ARG N N 106 118.050 118.136 -0.086 1
1 1325 . 18 1 1 A 107 107 CYS H H 107 7.623 7.827 -0.204 1
1 1326 . 18 1 1 A 107 107 CYS HA H 107 4.031 4.128 -0.097 1
1 1329 . 18 1 1 A 107 107 CYS C C 107 172.337 177.072 -4.735 1
1 1330 . 18 1 1 A 107 107 CYS CA C 107 63.291 63.690 -0.399 1
1 1331 . 18 1 1 A 107 107 CYS CB C 107 26.214 27.531 -1.317 1
1 1332 . 18 1 1 A 107 107 CYS N N 107 117.028 118.870 -1.842 1
1 1333 . 18 1 1 A 108 108 LEU H H 108 7.484 7.538 -0.054 1
1 1334 . 18 1 1 A 108 108 LEU HA H 108 4.159 4.255 -0.096 1
1 1344 . 18 1 1 A 108 108 LEU C C 108 174.582 177.309 -2.727 1
1 1345 . 18 1 1 A 108 108 LEU CA C 108 54.203 56.212 -2.009 1
1 1346 . 18 1 1 A 108 108 LEU CB C 108 41.621 42.473 -0.852 1
1 1350 . 18 1 1 A 108 108 LEU N N 108 117.680 118.425 -0.745 1
1 1351 . 18 1 1 A 109 109 TRP H H 109 7.427 7.412 0.015 1
1 1352 . 18 1 1 A 109 109 TRP HA H 109 4.828 5.052 -0.224 1
1 1361 . 18 1 1 A 109 109 TRP C C 109 173.176 176.524 -3.348 1
1 1362 . 18 1 1 A 109 109 TRP CA C 109 56.353 57.973 -1.620 1
1 1363 . 18 1 1 A 109 109 TRP CB C 109 29.743 30.287 -0.544 1
1 1369 . 18 1 1 A 109 109 TRP N N 109 119.087 121.037 -1.950 1
1 1371 . 18 1 1 A 110 110 SER H H 110 8.199 8.679 -0.480 1
1 1372 . 18 1 1 A 110 110 SER HA H 110 4.688 4.986 -0.298 1
1 1375 . 18 1 1 A 110 110 SER C C 110 171.769 172.896 -1.127 1
1 1376 . 18 1 1 A 110 110 SER CA C 110 56.324 57.044 -0.720 1
1 1377 . 18 1 1 A 110 110 SER CB C 110 64.513 65.300 -0.787 1
1 1378 . 18 1 1 A 110 110 SER N N 110 115.602 117.190 -1.588 1
1 1379 . 18 1 1 A 111 111 THR H H 111 8.268 8.737 -0.469 1
1 1380 . 18 1 1 A 111 111 THR HA H 111 4.425 5.217 -0.792 1
1 1385 . 18 1 1 A 111 111 THR C C 111 171.526 172.919 -1.393 1
1 1386 . 18 1 1 A 111 111 THR CA C 111 60.861 60.579 0.282 1
1 1387 . 18 1 1 A 111 111 THR CB C 111 69.202 70.279 -1.077 1
1 1389 . 18 1 1 A 111 111 THR N N 111 114.394 112.382 2.012 1
1 1390 . 18 1 1 A 112 112 LYS H H 112 8.240 8.491 -0.251 1
1 1391 . 18 1 1 A 112 112 LYS HA H 112 4.530 4.909 -0.379 1
1 1400 . 18 1 1 A 112 112 LYS CA C 112 53.768 52.917 0.851 1
1 1401 . 18 1 1 A 112 112 LYS CB C 112 32.067 35.151 -3.084 1
1 1405 . 18 1 1 A 112 112 LYS N N 112 125.207 127.183 -1.976 1
1 1406 . 18 1 1 A 113 113 PRO HA H 113 4.380 4.446 -0.066 1
1 1413 . 18 1 1 A 113 113 PRO C C 113 174.095 175.273 -1.178 1
1 1414 . 18 1 1 A 113 113 PRO CA C 113 62.381 63.415 -1.034 1
1 1415 . 18 1 1 A 113 113 PRO CB C 113 31.408 32.241 -0.833 1
1 1418 . 18 1 1 A 114 114 VAL H H 114 8.195 8.735 -0.540 1
1 1419 . 18 1 1 A 114 114 VAL HA H 114 4.029 4.336 -0.307 1
1 1427 . 18 1 1 A 114 114 VAL C C 114 173.122 174.857 -1.735 1
1 1428 . 18 1 1 A 114 114 VAL CA C 114 61.335 60.739 0.596 1
1 1429 . 18 1 1 A 114 114 VAL CB C 114 32.153 33.389 -1.236 1
1 1432 . 18 1 1 A 114 114 VAL N N 114 120.113 123.311 -3.198 1
1 1433 . 18 1 1 A 115 115 ASP H H 115 8.345 9.197 -0.852 1
1 1434 . 18 1 1 A 115 115 ASP HA H 115 4.592 4.390 0.202 1
1 1437 . 18 1 1 A 115 115 ASP C C 115 172.608 175.222 -2.614 1
1 1438 . 18 1 1 A 115 115 ASP CA C 115 53.202 55.381 -2.179 1
1 1439 . 18 1 1 A 115 115 ASP CB C 115 40.552 40.352 0.200 1
1 1440 . 18 1 1 A 115 115 ASP N N 115 123.853 129.250 -5.397 1
1 1 . 19 1 1 A 2 2 TYR HA H 2 4.617 5.113 -0.496 1
1 7 . 19 1 1 A 2 2 TYR C C 2 172.716 174.023 -1.307 1
1 8 . 19 1 1 A 2 2 TYR CA C 2 56.943 57.634 -0.691 1
1 9 . 19 1 1 A 2 2 TYR CB C 2 38.050 42.297 -4.247 1
1 14 . 19 1 1 A 2 2 TYR N N 2 121.461 121.769 -0.308 1
1 15 . 19 1 1 A 3 3 THR H H 3 7.984 8.879 -0.895 1
1 16 . 19 1 1 A 3 3 THR HA H 3 4.684 4.710 -0.026 1
1 21 . 19 1 1 A 3 3 THR C C 3 170.931 174.676 -3.745 1
1 22 . 19 1 1 A 3 3 THR CA C 3 60.870 61.117 -0.247 1
1 23 . 19 1 1 A 3 3 THR CB C 3 69.270 70.453 -1.183 1
1 25 . 19 1 1 A 3 3 THR N N 3 117.624 116.332 1.292 1
1 26 . 19 1 1 A 4 4 GLU H H 4 8.290 7.708 0.582 1
1 27 . 19 1 1 A 4 4 GLU HA H 4 4.183 4.228 -0.045 1
1 32 . 19 1 1 A 4 4 GLU C C 4 173.013 176.161 -3.148 1
1 33 . 19 1 1 A 4 4 GLU CA C 4 55.876 56.003 -0.127 1
1 34 . 19 1 1 A 4 4 GLU CB C 4 29.779 30.456 -0.677 1
1 36 . 19 1 1 A 4 4 GLU N N 4 123.377 123.751 -0.374 1
1 37 . 19 1 1 A 5 5 GLN H H 5 8.329 8.340 -0.011 1
1 38 . 19 1 1 A 5 5 GLN HA H 5 4.392 4.353 0.039 1
1 43 . 19 1 1 A 5 5 GLN CA C 5 52.634 54.590 -1.956 1
1 44 . 19 1 1 A 5 5 GLN CB C 5 28.759 28.691 0.068 1
1 46 . 19 1 1 A 5 5 GLN N N 5 122.599 123.116 -0.517 1
1 47 . 19 1 1 A 6 6 PRO HA H 6 4.323 4.912 -0.589 1
1 54 . 19 1 1 A 6 6 PRO C C 6 173.636 176.324 -2.688 1
1 55 . 19 1 1 A 6 6 PRO CA C 6 62.080 62.392 -0.312 1
1 56 . 19 1 1 A 6 6 PRO CB C 6 30.785 32.609 -1.824 1
1 59 . 19 1 1 A 7 7 ILE H H 7 8.160 8.090 0.070 1
1 60 . 19 1 1 A 7 7 ILE HA H 7 3.871 3.987 -0.116 1
1 70 . 19 1 1 A 7 7 ILE C C 7 172.770 176.270 -3.500 1
1 71 . 19 1 1 A 7 7 ILE CA C 7 60.589 60.620 -0.031 1
1 72 . 19 1 1 A 7 7 ILE CB C 7 38.318 36.757 1.561 1
1 76 . 19 1 1 A 7 7 ILE N N 7 121.913 122.062 -0.149 1
1 77 . 19 1 1 A 8 8 ASP H H 8 8.126 8.412 -0.286 1
1 78 . 19 1 1 A 8 8 ASP HA H 8 4.584 4.128 0.456 1
1 81 . 19 1 1 A 8 8 ASP C C 8 171.742 175.267 -3.525 1
1 82 . 19 1 1 A 8 8 ASP CA C 8 53.265 55.156 -1.891 1
1 83 . 19 1 1 A 8 8 ASP CB C 8 39.521 39.704 -0.183 1
1 84 . 19 1 1 A 8 8 ASP N N 8 124.858 126.495 -1.637 1
1 85 . 19 1 1 A 9 9 LEU H H 9 7.374 7.762 -0.388 1
1 86 . 19 1 1 A 9 9 LEU HA H 9 4.506 4.700 -0.194 1
1 96 . 19 1 1 A 9 9 LEU C C 9 174.041 175.700 -1.659 1
1 97 . 19 1 1 A 9 9 LEU CA C 9 53.779 53.983 -0.204 1
1 98 . 19 1 1 A 9 9 LEU CB C 9 43.411 43.555 -0.144 1
1 102 . 19 1 1 A 9 9 LEU N N 9 122.151 119.154 2.997 1
1 103 . 19 1 1 A 10 10 VAL H H 10 8.827 8.832 -0.005 1
1 104 . 19 1 1 A 10 10 VAL HA H 10 4.841 5.015 -0.174 1
1 112 . 19 1 1 A 10 10 VAL CA C 10 57.706 58.525 -0.819 1
1 113 . 19 1 1 A 10 10 VAL CB C 10 33.895 35.170 -1.275 1
1 116 . 19 1 1 A 10 10 VAL N N 10 120.738 119.627 1.111 1
1 117 . 19 1 1 A 11 11 PRO HA H 11 4.766 5.061 -0.295 1
1 124 . 19 1 1 A 11 11 PRO C C 11 173.149 175.175 -2.026 1
1 125 . 19 1 1 A 11 11 PRO CA C 11 62.417 62.677 -0.260 1
1 126 . 19 1 1 A 11 11 PRO CB C 11 32.119 33.124 -1.005 1
1 129 . 19 1 1 A 12 12 THR H H 12 7.408 8.782 -1.374 1
1 130 . 19 1 1 A 12 12 THR HA H 12 4.280 4.860 -0.580 1
1 135 . 19 1 1 A 12 12 THR C C 12 166.981 172.172 -5.191 1
1 136 . 19 1 1 A 12 12 THR CA C 12 59.142 59.728 -0.586 1
1 137 . 19 1 1 A 12 12 THR CB C 12 68.812 70.315 -1.503 1
1 139 . 19 1 1 A 12 12 THR N N 12 115.177 116.470 -1.293 1
1 140 . 19 1 1 A 13 13 GLN H H 13 7.953 8.670 -0.717 1
1 141 . 19 1 1 A 13 13 GLN HA H 13 5.073 4.899 0.174 1
1 146 . 19 1 1 A 13 13 GLN CA C 13 52.836 52.708 0.128 1
1 147 . 19 1 1 A 13 13 GLN CB C 13 28.566 31.846 -3.280 1
1 149 . 19 1 1 A 13 13 GLN N N 13 113.324 120.971 -7.647 1
1 150 . 19 1 1 A 14 14 PRO HA H 14 4.340 4.576 -0.236 1
1 157 . 19 1 1 A 14 14 PRO C C 14 173.392 176.633 -3.241 1
1 158 . 19 1 1 A 14 14 PRO CA C 14 62.498 62.442 0.056 1
1 159 . 19 1 1 A 14 14 PRO CB C 14 31.565 32.277 -0.712 1
1 162 . 19 1 1 A 15 15 LEU H H 15 8.764 8.379 0.385 1
1 163 . 19 1 1 A 15 15 LEU HA H 15 4.511 4.477 0.034 1
1 173 . 19 1 1 A 15 15 LEU CA C 15 52.597 53.582 -0.985 1
1 174 . 19 1 1 A 15 15 LEU CB C 15 40.769 40.985 -0.216 1
1 178 . 19 1 1 A 15 15 LEU N N 15 124.665 124.176 0.489 1
1 179 . 19 1 1 A 16 16 PRO HA H 16 4.325 4.482 -0.157 1
1 186 . 19 1 1 A 16 16 PRO CA C 16 63.358 63.068 0.290 1
1 187 . 19 1 1 A 16 16 PRO CB C 16 31.187 32.539 -1.352 1
1 190 . 19 1 1 A 17 17 ASN H H 17 8.682 8.983 -0.301 1
1 191 . 19 1 1 A 17 17 ASN HA H 17 4.586 4.540 0.046 1
1 196 . 19 1 1 A 17 17 ASN C C 17 174.691 174.843 -0.152 1
1 197 . 19 1 1 A 17 17 ASN CA C 17 52.745 54.198 -1.453 1
1 198 . 19 1 1 A 17 17 ASN CB C 17 36.762 36.425 0.337 1
1 199 . 19 1 1 A 17 17 ASN N N 17 114.315 120.812 -6.497 1
1 201 . 19 1 1 A 18 18 ALA H H 18 7.283 7.857 -0.574 1
1 202 . 19 1 1 A 18 18 ALA HA H 18 4.569 4.461 0.108 1
1 206 . 19 1 1 A 18 18 ALA C C 18 174.041 176.876 -2.835 1
1 207 . 19 1 1 A 18 18 ALA CA C 18 51.618 53.071 -1.453 1
1 208 . 19 1 1 A 18 18 ALA CB C 18 20.698 20.025 0.673 1
1 209 . 19 1 1 A 18 18 ALA N N 18 121.620 124.181 -2.561 1
1 210 . 19 1 1 A 19 19 SER H H 19 8.744 8.777 -0.033 1
1 211 . 19 1 1 A 19 19 SER HA H 19 4.479 4.157 0.322 1
1 214 . 19 1 1 A 19 19 SER C C 19 169.984 171.747 -1.763 1
1 215 . 19 1 1 A 19 19 SER CA C 19 56.634 56.144 0.490 1
1 216 . 19 1 1 A 19 19 SER CB C 19 65.044 66.129 -1.085 1
1 217 . 19 1 1 A 19 19 SER N N 19 113.995 117.351 -3.356 1
1 218 . 19 1 1 A 20 20 PHE H H 20 7.753 7.821 -0.068 1
1 219 . 19 1 1 A 20 20 PHE HA H 20 3.514 4.365 -0.851 1
1 226 . 19 1 1 A 20 20 PHE C C 20 172.635 174.356 -1.721 1
1 227 . 19 1 1 A 20 20 PHE CA C 20 58.070 58.676 -0.606 1
1 228 . 19 1 1 A 20 20 PHE CB C 20 37.588 39.599 -2.011 1
1 233 . 19 1 1 A 20 20 PHE N N 20 124.690 125.451 -0.761 1
1 234 . 19 1 1 A 21 21 ASP H H 21 8.288 7.368 0.920 1
1 235 . 19 1 1 A 21 21 ASP HA H 21 4.351 4.723 -0.372 1
1 238 . 19 1 1 A 21 21 ASP CA C 21 51.826 52.392 -0.566 1
1 239 . 19 1 1 A 21 21 ASP CB C 21 38.598 44.627 -6.029 1
1 240 . 19 1 1 A 21 21 ASP N N 21 127.080 125.670 1.410 1
1 241 . 19 1 1 A 22 22 ASN HA H 22 3.766 4.537 -0.771 1
1 246 . 19 1 1 A 22 22 ASN C C 22 171.688 175.192 -3.504 1
1 247 . 19 1 1 A 22 22 ASN CA C 22 54.954 54.174 0.780 1
1 248 . 19 1 1 A 22 22 ASN CB C 22 37.641 38.519 -0.878 1
1 250 . 19 1 1 A 23 23 PHE H H 23 5.484 7.256 -1.772 1
1 251 . 19 1 1 A 23 23 PHE HA H 23 4.804 4.491 0.313 1
1 259 . 19 1 1 A 23 23 PHE C C 23 169.768 175.013 -5.245 1
1 260 . 19 1 1 A 23 23 PHE CA C 23 54.649 57.604 -2.955 1
1 261 . 19 1 1 A 23 23 PHE CB C 23 39.850 39.554 0.296 1
1 267 . 19 1 1 A 23 23 PHE N N 23 112.858 118.171 -5.313 1
1 268 . 19 1 1 A 24 24 LYS H H 24 8.329 9.134 -0.805 1
1 269 . 19 1 1 A 24 24 LYS HA H 24 3.719 3.973 -0.254 1
1 278 . 19 1 1 A 24 24 LYS C C 24 171.959 175.778 -3.819 1
1 279 . 19 1 1 A 24 24 LYS CA C 24 53.756 55.219 -1.463 1
1 280 . 19 1 1 A 24 24 LYS CB C 24 36.279 33.230 3.049 1
1 284 . 19 1 1 A 24 24 LYS N N 24 119.724 123.441 -3.717 1
1 285 . 19 1 1 A 25 25 LEU H H 25 9.144 8.038 1.106 1
1 286 . 19 1 1 A 25 25 LEU HA H 25 5.462 5.174 0.288 1
1 296 . 19 1 1 A 25 25 LEU C C 25 174.609 175.783 -1.174 1
1 297 . 19 1 1 A 25 25 LEU CA C 25 53.208 53.310 -0.102 1
1 298 . 19 1 1 A 25 25 LEU CB C 25 41.419 44.558 -3.139 1
1 302 . 19 1 1 A 25 25 LEU N N 25 126.849 124.729 2.120 1
1 303 . 19 1 1 A 26 26 THR H H 26 8.956 8.642 0.314 1
1 304 . 19 1 1 A 26 26 THR HA H 26 4.471 5.295 -0.824 1
1 309 . 19 1 1 A 26 26 THR C C 26 169.524 172.955 -3.431 1
1 310 . 19 1 1 A 26 26 THR CA C 26 58.769 59.804 -1.035 1
1 311 . 19 1 1 A 26 26 THR CB C 26 69.971 72.649 -2.678 1
1 313 . 19 1 1 A 26 26 THR N N 26 113.907 112.566 1.341 1
1 314 . 19 1 1 A 27 27 CYS H H 27 8.507 8.618 -0.111 1
1 315 . 19 1 1 A 27 27 CYS HA H 27 4.509 4.750 -0.241 1
1 318 . 19 1 1 A 27 27 CYS C C 27 169.984 174.462 -4.478 1
1 319 . 19 1 1 A 27 27 CYS CA C 27 57.948 57.696 0.252 1
1 320 . 19 1 1 A 27 27 CYS CB C 27 29.529 30.899 -1.370 1
1 321 . 19 1 1 A 27 27 CYS N N 27 120.842 119.234 1.608 1
1 322 . 19 1 1 A 28 28 SER H H 28 9.044 8.620 0.424 1
1 323 . 19 1 1 A 28 28 SER HA H 28 4.140 4.343 -0.203 1
1 326 . 19 1 1 A 28 28 SER C C 28 172.716 174.472 -1.756 1
1 327 . 19 1 1 A 28 28 SER CA C 28 60.986 61.650 -0.664 1
1 328 . 19 1 1 A 28 28 SER CB C 28 61.437 62.917 -1.480 1
1 329 . 19 1 1 A 28 28 SER N N 28 124.898 117.864 7.034 1
1 330 . 19 1 1 A 29 29 ASN H H 29 7.825 8.134 -0.309 1
1 331 . 19 1 1 A 29 29 ASN HA H 29 4.951 4.832 0.119 1
1 336 . 19 1 1 A 29 29 ASN C C 29 171.688 176.095 -4.407 1
1 337 . 19 1 1 A 29 29 ASN CA C 29 52.155 52.883 -0.728 1
1 338 . 19 1 1 A 29 29 ASN CB C 29 36.980 39.447 -2.467 1
1 339 . 19 1 1 A 29 29 ASN N N 29 121.001 119.663 1.338 1
1 341 . 19 1 1 A 30 30 THR H H 30 8.062 8.638 -0.576 1
1 342 . 19 1 1 A 30 30 THR HA H 30 3.901 4.157 -0.256 1
1 347 . 19 1 1 A 30 30 THR C C 30 173.338 176.841 -3.503 1
1 348 . 19 1 1 A 30 30 THR CA C 30 64.874 65.263 -0.389 1
1 349 . 19 1 1 A 30 30 THR CB C 30 67.715 68.473 -0.758 1
1 351 . 19 1 1 A 30 30 THR N N 30 119.799 119.297 0.502 1
1 352 . 19 1 1 A 31 31 LYS H H 31 8.015 7.997 0.018 1
1 353 . 19 1 1 A 31 31 LYS HA H 31 4.119 4.021 0.098 1
1 362 . 19 1 1 A 31 31 LYS C C 31 174.231 178.490 -4.259 1
1 363 . 19 1 1 A 31 31 LYS CA C 31 58.286 58.862 -0.576 1
1 364 . 19 1 1 A 31 31 LYS CB C 31 31.547 31.906 -0.359 1
1 368 . 19 1 1 A 31 31 LYS N N 31 122.845 122.153 0.692 1
1 369 . 19 1 1 A 32 32 PHE H H 32 7.739 8.707 -0.968 1
1 370 . 19 1 1 A 32 32 PHE HA H 32 4.652 4.253 0.399 1
1 378 . 19 1 1 A 32 32 PHE C C 32 174.691 176.960 -2.269 1
1 379 . 19 1 1 A 32 32 PHE CA C 32 59.954 61.901 -1.947 1
1 380 . 19 1 1 A 32 32 PHE CB C 32 38.444 39.339 -0.895 1
1 386 . 19 1 1 A 32 32 PHE N N 32 120.100 120.940 -0.840 1
1 387 . 19 1 1 A 33 33 ALA H H 33 6.955 8.104 -1.149 1
1 388 . 19 1 1 A 33 33 ALA HA H 33 3.555 3.935 -0.380 1
1 392 . 19 1 1 A 33 33 ALA C C 33 175.502 179.543 -4.041 1
1 393 . 19 1 1 A 33 33 ALA CA C 33 54.703 55.253 -0.550 1
1 394 . 19 1 1 A 33 33 ALA CB C 33 17.085 18.175 -1.090 1
1 395 . 19 1 1 A 33 33 ALA N N 33 116.140 121.019 -4.879 1
1 396 . 19 1 1 A 34 34 ASP H H 34 8.795 8.187 0.608 1
1 397 . 19 1 1 A 34 34 ASP HA H 34 4.367 4.361 0.006 1
1 400 . 19 1 1 A 34 34 ASP C C 34 176.854 178.421 -1.567 1
1 401 . 19 1 1 A 34 34 ASP CA C 34 56.911 57.348 -0.437 1
1 402 . 19 1 1 A 34 34 ASP CB C 34 39.495 41.371 -1.876 1
1 403 . 19 1 1 A 34 34 ASP N N 34 118.170 118.740 -0.570 1
1 404 . 19 1 1 A 35 35 ASP H H 35 8.791 8.712 0.079 1
1 405 . 19 1 1 A 35 35 ASP HA H 35 4.360 4.447 -0.087 1
1 408 . 19 1 1 A 35 35 ASP C C 35 177.233 179.267 -2.034 1
1 409 . 19 1 1 A 35 35 ASP CA C 35 56.890 57.364 -0.474 1
1 410 . 19 1 1 A 35 35 ASP CB C 35 39.291 40.680 -1.389 1
1 411 . 19 1 1 A 35 35 ASP N N 35 121.921 119.971 1.950 1
1 412 . 19 1 1 A 36 36 LEU H H 36 7.792 8.002 -0.210 1
1 413 . 19 1 1 A 36 36 LEU HA H 36 4.162 3.941 0.221 1
1 423 . 19 1 1 A 36 36 LEU C C 36 176.097 179.536 -3.439 1
1 424 . 19 1 1 A 36 36 LEU CA C 36 57.508 58.037 -0.529 1
1 425 . 19 1 1 A 36 36 LEU CB C 36 41.523 41.438 0.085 1
1 429 . 19 1 1 A 36 36 LEU N N 36 121.822 120.716 1.106 1
1 430 . 19 1 1 A 37 37 ASN H H 37 9.015 8.725 0.290 1
1 431 . 19 1 1 A 37 37 ASN HA H 37 4.733 4.508 0.225 1
1 436 . 19 1 1 A 37 37 ASN C C 37 176.232 178.723 -2.491 1
1 437 . 19 1 1 A 37 37 ASN CA C 37 54.288 56.599 -2.311 1
1 438 . 19 1 1 A 37 37 ASN CB C 37 37.337 37.983 -0.646 1
1 439 . 19 1 1 A 37 37 ASN N N 37 116.904 117.908 -1.004 1
1 441 . 19 1 1 A 38 38 GLN H H 38 8.218 7.656 0.562 1
1 442 . 19 1 1 A 38 38 GLN HA H 38 4.074 4.185 -0.111 1
1 447 . 19 1 1 A 38 38 GLN C C 38 175.773 178.950 -3.177 1
1 448 . 19 1 1 A 38 38 GLN CA C 38 58.134 58.810 -0.676 1
1 449 . 19 1 1 A 38 38 GLN CB C 38 27.676 28.330 -0.654 1
1 451 . 19 1 1 A 38 38 GLN N N 38 121.443 120.488 0.955 1
1 452 . 19 1 1 A 39 39 MET H H 39 7.487 8.046 -0.559 1
1 453 . 19 1 1 A 39 39 MET HA H 39 3.967 4.265 -0.298 1
1 461 . 19 1 1 A 39 39 MET C C 39 176.259 177.639 -1.380 1
1 462 . 19 1 1 A 39 39 MET CA C 39 58.374 58.236 0.138 1
1 463 . 19 1 1 A 39 39 MET CB C 39 33.000 32.612 0.388 1
1 466 . 19 1 1 A 39 39 MET N N 39 118.793 119.419 -0.626 1
1 467 . 19 1 1 A 40 40 THR H H 40 7.873 7.460 0.413 1
1 468 . 19 1 1 A 40 40 THR HA H 40 3.769 4.292 -0.523 1
1 473 . 19 1 1 A 40 40 THR C C 40 173.906 174.741 -0.835 1
1 474 . 19 1 1 A 40 40 THR CA C 40 61.739 62.421 -0.682 1
1 475 . 19 1 1 A 40 40 THR CB C 40 68.427 69.267 -0.840 1
1 477 . 19 1 1 A 40 40 THR N N 40 108.945 111.889 -2.944 1
1 478 . 19 1 1 A 41 41 GLY H H 41 7.199 7.520 -0.321 1
1 479 . 19 1 1 A 41 41 GLY HA2 H 41 3.899 3.958 -0.059 1
1 480 . 19 1 1 A 41 41 GLY HA3 H 41 3.662 3.965 -0.303 1
1 481 . 19 1 1 A 41 41 GLY C C 41 171.661 174.877 -3.216 1
1 482 . 19 1 1 A 41 41 GLY CA C 41 44.926 46.068 -1.142 1
1 483 . 19 1 1 A 41 41 GLY N N 41 106.430 110.846 -4.416 1
1 484 . 19 1 1 A 42 42 PHE H H 42 7.876 8.400 -0.524 1
1 485 . 19 1 1 A 42 42 PHE HA H 42 4.682 4.733 -0.051 1
1 493 . 19 1 1 A 42 42 PHE C C 42 171.499 174.795 -3.296 1
1 494 . 19 1 1 A 42 42 PHE CA C 42 57.793 59.150 -1.357 1
1 495 . 19 1 1 A 42 42 PHE CB C 42 39.422 39.968 -0.546 1
1 501 . 19 1 1 A 42 42 PHE N N 42 122.221 121.328 0.893 1
1 502 . 19 1 1 A 43 43 THR H H 43 8.418 8.007 0.411 1
1 503 . 19 1 1 A 43 43 THR HA H 43 3.665 4.086 -0.421 1
1 508 . 19 1 1 A 43 43 THR C C 43 168.767 173.070 -4.303 1
1 509 . 19 1 1 A 43 43 THR CA C 43 59.002 60.654 -1.652 1
1 510 . 19 1 1 A 43 43 THR CB C 43 70.919 71.836 -0.917 1
1 512 . 19 1 1 A 43 43 THR N N 43 123.470 121.328 2.142 1
1 513 . 19 1 1 A 44 44 LYS H H 44 7.999 8.049 -0.050 1
1 514 . 19 1 1 A 44 44 LYS HA H 44 3.924 4.557 -0.633 1
1 523 . 19 1 1 A 44 44 LYS CA C 44 54.785 54.806 -0.021 1
1 524 . 19 1 1 A 44 44 LYS CB C 44 31.047 31.418 -0.371 1
1 528 . 19 1 1 A 44 44 LYS N N 44 124.728 125.949 -1.221 1
1 529 . 19 1 1 A 45 45 PRO HA H 45 4.581 4.731 -0.150 1
1 536 . 19 1 1 A 45 45 PRO C C 45 172.770 177.055 -4.285 1
1 537 . 19 1 1 A 45 45 PRO CA C 45 60.970 62.532 -1.562 1
1 538 . 19 1 1 A 45 45 PRO CB C 45 33.754 31.971 1.783 1
1 541 . 19 1 1 A 46 46 ALA H H 46 8.715 8.507 0.208 1
1 542 . 19 1 1 A 46 46 ALA HA H 46 4.674 4.881 -0.207 1
1 546 . 19 1 1 A 46 46 ALA C C 46 175.827 178.631 -2.804 1
1 547 . 19 1 1 A 46 46 ALA CA C 46 50.851 52.813 -1.962 1
1 548 . 19 1 1 A 46 46 ALA CB C 46 20.458 19.615 0.843 1
1 549 . 19 1 1 A 46 46 ALA N N 46 123.249 124.967 -1.718 1
1 550 . 19 1 1 A 47 47 SER H H 47 8.518 8.587 -0.069 1
1 551 . 19 1 1 A 47 47 SER HA H 47 4.202 4.332 -0.130 1
1 554 . 19 1 1 A 47 47 SER C C 47 171.769 174.486 -2.717 1
1 555 . 19 1 1 A 47 47 SER CA C 47 58.740 60.248 -1.508 1
1 556 . 19 1 1 A 47 47 SER CB C 47 62.419 63.462 -1.043 1
1 557 . 19 1 1 A 47 47 SER N N 47 117.696 115.471 2.225 1
1 558 . 19 1 1 A 48 48 ARG H H 48 7.276 7.704 -0.428 1
1 559 . 19 1 1 A 48 48 ARG HA H 48 4.466 4.694 -0.228 1
1 566 . 19 1 1 A 48 48 ARG C C 48 170.417 173.707 -3.290 1
1 567 . 19 1 1 A 48 48 ARG CA C 48 54.164 54.804 -0.640 1
1 568 . 19 1 1 A 48 48 ARG CB C 48 29.775 32.941 -3.166 1
1 571 . 19 1 1 A 48 48 ARG N N 48 115.830 118.083 -2.253 1
1 572 . 19 1 1 A 49 49 GLU H H 49 8.681 8.655 0.026 1
1 573 . 19 1 1 A 49 49 GLU HA H 49 5.373 4.989 0.384 1
1 578 . 19 1 1 A 49 49 GLU C C 49 172.716 175.733 -3.017 1
1 579 . 19 1 1 A 49 49 GLU CA C 49 53.744 55.429 -1.685 1
1 580 . 19 1 1 A 49 49 GLU CB C 49 32.057 31.049 1.008 1
1 582 . 19 1 1 A 49 49 GLU N N 49 119.800 119.105 0.695 1
1 583 . 19 1 1 A 50 50 LEU H H 50 8.720 9.044 -0.324 1
1 584 . 19 1 1 A 50 50 LEU HA H 50 4.821 4.369 0.452 1
1 594 . 19 1 1 A 50 50 LEU C C 50 171.932 175.604 -3.672 1
1 595 . 19 1 1 A 50 50 LEU CA C 50 52.447 54.835 -2.388 1
1 596 . 19 1 1 A 50 50 LEU CB C 50 44.748 42.357 2.391 1
1 600 . 19 1 1 A 50 50 LEU N N 50 124.747 126.514 -1.767 1
1 601 . 19 1 1 A 51 51 SER H H 51 9.560 8.428 1.132 1
1 602 . 19 1 1 A 51 51 SER HA H 51 4.881 5.353 -0.472 1
1 605 . 19 1 1 A 51 51 SER C C 51 171.769 172.852 -1.083 1
1 606 . 19 1 1 A 51 51 SER CA C 51 55.707 56.800 -1.093 1
1 607 . 19 1 1 A 51 51 SER CB C 51 64.701 65.891 -1.190 1
1 608 . 19 1 1 A 51 51 SER N N 51 119.156 113.501 5.655 1
1 609 . 19 1 1 A 52 52 VAL H H 52 8.416 8.770 -0.354 1
1 610 . 19 1 1 A 52 52 VAL HA H 52 5.196 4.749 0.447 1
1 618 . 19 1 1 A 52 52 VAL CA C 52 59.207 60.893 -1.686 1
1 619 . 19 1 1 A 52 52 VAL CB C 52 33.156 33.888 -0.732 1
1 622 . 19 1 1 A 52 52 VAL N N 52 121.797 123.940 -2.143 1
1 623 . 19 1 1 A 53 53 THR H H 53 8.383 8.822 -0.439 1
1 624 . 19 1 1 A 53 53 THR HA H 53 4.358 4.972 -0.614 1
1 629 . 19 1 1 A 53 53 THR C C 53 169.741 172.599 -2.858 1
1 630 . 19 1 1 A 53 53 THR CA C 53 58.375 59.848 -1.473 1
1 631 . 19 1 1 A 53 53 THR CB C 53 70.707 71.706 -0.999 1
1 633 . 19 1 1 A 53 53 THR N N 53 117.287 116.958 0.329 1
1 634 . 19 1 1 A 54 54 PHE H H 54 8.737 9.006 -0.269 1
1 635 . 19 1 1 A 54 54 PHE HA H 54 4.536 4.764 -0.228 1
1 643 . 19 1 1 A 54 54 PHE C C 54 172.986 175.795 -2.809 1
1 644 . 19 1 1 A 54 54 PHE CA C 54 57.064 56.862 0.202 1
1 645 . 19 1 1 A 54 54 PHE CB C 54 38.755 39.853 -1.098 1
1 651 . 19 1 1 A 54 54 PHE N N 54 118.180 123.118 -4.938 1
1 652 . 19 1 1 A 55 55 PHE H H 55 9.167 8.930 0.237 1
1 653 . 19 1 1 A 55 55 PHE HA H 55 3.715 4.554 -0.839 1
1 660 . 19 1 1 A 55 55 PHE CA C 55 57.908 57.077 0.831 1
1 661 . 19 1 1 A 55 55 PHE CB C 55 39.594 38.810 0.784 1
1 666 . 19 1 1 A 55 55 PHE N N 55 128.290 123.692 4.598 1
1 667 . 19 1 1 A 56 56 PRO HA H 56 2.356 3.945 -1.589 1
1 674 . 19 1 1 A 56 56 PRO C C 56 171.012 174.810 -3.798 1
1 675 . 19 1 1 A 56 56 PRO CA C 56 62.611 61.911 0.700 1
1 676 . 19 1 1 A 56 56 PRO CB C 56 32.522 30.017 2.505 1
1 679 . 19 1 1 A 57 57 ASP H H 57 9.009 8.532 0.477 1
1 680 . 19 1 1 A 57 57 ASP HA H 57 4.289 4.884 -0.595 1
1 683 . 19 1 1 A 57 57 ASP C C 57 173.257 174.341 -1.084 1
1 684 . 19 1 1 A 57 57 ASP CA C 57 53.752 53.580 0.172 1
1 685 . 19 1 1 A 57 57 ASP CB C 57 40.067 44.703 -4.636 1
1 686 . 19 1 1 A 57 57 ASP N N 57 127.876 122.675 5.201 1
1 687 . 19 1 1 A 58 58 LEU H H 58 8.368 8.457 -0.089 1
1 688 . 19 1 1 A 58 58 LEU HA H 58 4.229 4.907 -0.678 1
1 698 . 19 1 1 A 58 58 LEU C C 58 174.285 177.436 -3.151 1
1 699 . 19 1 1 A 58 58 LEU CA C 58 52.468 53.740 -1.272 1
1 700 . 19 1 1 A 58 58 LEU CB C 58 40.258 42.040 -1.782 1
1 704 . 19 1 1 A 58 58 LEU N N 58 128.010 121.630 6.380 1
1 705 . 19 1 1 A 59 59 ASN H H 59 8.430 8.267 0.163 1
1 706 . 19 1 1 A 59 59 ASN HA H 59 4.198 4.526 -0.328 1
1 711 . 19 1 1 A 59 59 ASN C C 59 173.636 176.751 -3.115 1
1 712 . 19 1 1 A 59 59 ASN CA C 59 54.945 55.396 -0.451 1
1 713 . 19 1 1 A 59 59 ASN CB C 59 38.175 38.556 -0.381 1
1 714 . 19 1 1 A 59 59 ASN N N 59 116.745 118.247 -1.502 1
1 716 . 19 1 1 A 60 60 GLY H H 60 8.083 7.947 0.136 1
1 717 . 19 1 1 A 60 60 GLY HA2 H 60 3.766 4.018 -0.252 1
1 718 . 19 1 1 A 60 60 GLY HA3 H 60 3.326 4.037 -0.711 1
1 719 . 19 1 1 A 60 60 GLY C C 60 169.876 174.518 -4.642 1
1 720 . 19 1 1 A 60 60 GLY CA C 60 44.285 44.629 -0.344 1
1 721 . 19 1 1 A 60 60 GLY N N 60 110.045 108.356 1.689 1
1 722 . 19 1 1 A 61 61 ASP H H 61 8.084 8.403 -0.319 1
1 723 . 19 1 1 A 61 61 ASP HA H 61 4.200 4.429 -0.229 1
1 726 . 19 1 1 A 61 61 ASP C C 61 172.283 175.421 -3.138 1
1 727 . 19 1 1 A 61 61 ASP CA C 61 56.865 56.052 0.813 1
1 728 . 19 1 1 A 61 61 ASP CB C 61 42.113 41.078 1.035 1
1 729 . 19 1 1 A 61 61 ASP N N 61 121.395 119.215 2.180 1
1 730 . 19 1 1 A 62 62 VAL H H 62 8.387 7.781 0.606 1
1 731 . 19 1 1 A 62 62 VAL HA H 62 4.096 4.584 -0.488 1
1 739 . 19 1 1 A 62 62 VAL C C 62 171.255 174.384 -3.129 1
1 740 . 19 1 1 A 62 62 VAL CA C 62 58.914 60.119 -1.205 1
1 741 . 19 1 1 A 62 62 VAL CB C 62 34.433 35.690 -1.257 1
1 744 . 19 1 1 A 62 62 VAL N N 62 117.701 116.937 0.764 1
1 745 . 19 1 1 A 63 63 VAL H H 63 8.251 8.107 0.144 1
1 746 . 19 1 1 A 63 63 VAL HA H 63 4.637 4.945 -0.308 1
1 754 . 19 1 1 A 63 63 VAL C C 63 171.282 173.952 -2.670 1
1 755 . 19 1 1 A 63 63 VAL CA C 63 59.233 59.713 -0.480 1
1 756 . 19 1 1 A 63 63 VAL CB C 63 33.531 35.882 -2.351 1
1 759 . 19 1 1 A 63 63 VAL N N 63 125.341 122.380 2.961 1
1 760 . 19 1 1 A 64 64 ALA H H 64 9.316 8.905 0.411 1
1 761 . 19 1 1 A 64 64 ALA HA H 64 5.036 5.247 -0.211 1
1 765 . 19 1 1 A 64 64 ALA C C 64 173.825 175.705 -1.880 1
1 766 . 19 1 1 A 64 64 ALA CA C 64 49.059 50.342 -1.283 1
1 767 . 19 1 1 A 64 64 ALA CB C 64 20.323 22.336 -2.013 1
1 768 . 19 1 1 A 64 64 ALA N N 64 128.526 125.798 2.728 1
1 769 . 19 1 1 A 65 65 ILE H H 65 9.451 9.339 0.112 1
1 770 . 19 1 1 A 65 65 ILE HA H 65 4.475 4.744 -0.269 1
1 780 . 19 1 1 A 65 65 ILE C C 65 172.121 175.178 -3.057 1
1 781 . 19 1 1 A 65 65 ILE CA C 65 56.490 59.729 -3.239 1
1 782 . 19 1 1 A 65 65 ILE CB C 65 37.474 41.407 -3.933 1
1 786 . 19 1 1 A 65 65 ILE N N 65 126.677 121.592 5.085 1
1 787 . 19 1 1 A 66 66 ASP H H 66 9.165 8.883 0.282 1
1 788 . 19 1 1 A 66 66 ASP HA H 66 4.045 4.757 -0.712 1
1 791 . 19 1 1 A 66 66 ASP C C 66 174.663 176.980 -2.317 1
1 792 . 19 1 1 A 66 66 ASP CA C 66 54.199 54.723 -0.524 1
1 793 . 19 1 1 A 66 66 ASP CB C 66 42.211 41.507 0.704 1
1 794 . 19 1 1 A 66 66 ASP N N 66 128.723 126.238 2.485 1
1 795 . 19 1 1 A 67 67 TYR H H 67 8.919 9.351 -0.432 1
1 796 . 19 1 1 A 67 67 TYR HA H 67 4.344 4.310 0.034 1
1 801 . 19 1 1 A 67 67 TYR C C 67 173.257 177.308 -4.051 1
1 802 . 19 1 1 A 67 67 TYR CA C 67 59.614 61.720 -2.106 1
1 803 . 19 1 1 A 67 67 TYR CB C 67 39.338 39.090 0.248 1
1 806 . 19 1 1 A 67 67 TYR N N 67 127.739 121.477 6.262 1
1 807 . 19 1 1 A 68 68 ARG H H 68 9.459 8.453 1.006 1
1 808 . 19 1 1 A 68 68 ARG HA H 68 3.923 3.835 0.088 1
1 815 . 19 1 1 A 68 68 ARG C C 68 174.150 178.782 -4.632 1
1 816 . 19 1 1 A 68 68 ARG CA C 68 57.691 59.751 -2.060 1
1 817 . 19 1 1 A 68 68 ARG CB C 68 27.945 29.880 -1.935 1
1 820 . 19 1 1 A 68 68 ARG N N 68 121.666 118.588 3.078 1
1 821 . 19 1 1 A 69 69 HIS H H 69 8.146 7.839 0.307 1
1 822 . 19 1 1 A 69 69 HIS HA H 69 4.538 4.569 -0.031 1
1 826 . 19 1 1 A 69 69 HIS C C 69 171.391 175.340 -3.949 1
1 827 . 19 1 1 A 69 69 HIS CA C 69 55.405 57.816 -2.411 1
1 828 . 19 1 1 A 69 69 HIS CB C 69 29.458 29.417 0.041 1
1 830 . 19 1 1 A 69 69 HIS N N 69 117.372 118.719 -1.347 1
1 831 . 19 1 1 A 70 70 TYR H H 70 7.468 7.275 0.193 1
1 832 . 19 1 1 A 70 70 TYR HA H 70 3.431 3.381 0.050 1
1 839 . 19 1 1 A 70 70 TYR C C 70 171.904 174.203 -2.299 1
1 840 . 19 1 1 A 70 70 TYR CA C 70 60.020 55.590 4.430 1
1 841 . 19 1 1 A 70 70 TYR CB C 70 37.554 36.916 0.638 1
1 846 . 19 1 1 A 70 70 TYR N N 70 121.636 122.159 -0.523 1
1 847 . 19 1 1 A 71 71 SER H H 71 5.657 8.633 -2.976 1
1 848 . 19 1 1 A 71 71 SER HA H 71 3.958 4.628 -0.670 1
1 851 . 19 1 1 A 71 71 SER C C 71 170.390 175.370 -4.980 1
1 852 . 19 1 1 A 71 71 SER CA C 71 55.267 56.568 -1.301 1
1 853 . 19 1 1 A 71 71 SER CB C 71 64.410 65.259 -0.849 1
1 854 . 19 1 1 A 71 71 SER N N 71 120.240 123.424 -3.184 1
1 855 . 19 1 1 A 72 72 ALA H H 72 8.461 8.920 -0.459 1
1 856 . 19 1 1 A 72 72 ALA HA H 72 3.757 3.993 -0.236 1
1 860 . 19 1 1 A 72 72 ALA CA C 72 54.250 54.409 -0.159 1
1 861 . 19 1 1 A 72 72 ALA CB C 72 17.423 18.344 -0.921 1
1 862 . 19 1 1 A 72 72 ALA N N 72 123.497 128.246 -4.749 1
1 863 . 19 1 1 A 73 73 SER HA H 73 3.904 3.882 0.022 1
1 866 . 19 1 1 A 73 73 SER C C 73 172.500 175.348 -2.848 1
1 867 . 19 1 1 A 73 73 SER CA C 73 59.873 61.634 -1.761 1
1 868 . 19 1 1 A 73 73 SER CB C 73 61.769 62.517 -0.748 1
1 869 . 19 1 1 A 74 74 PHE H H 74 7.508 7.370 0.138 1
1 870 . 19 1 1 A 74 74 PHE HA H 74 5.163 4.802 0.361 1
1 877 . 19 1 1 A 74 74 PHE C C 74 173.987 176.213 -2.226 1
1 878 . 19 1 1 A 74 74 PHE CA C 74 53.320 57.587 -4.267 1
1 879 . 19 1 1 A 74 74 PHE CB C 74 37.854 38.822 -0.968 1
1 884 . 19 1 1 A 74 74 PHE N N 74 118.853 117.622 1.231 1
1 885 . 19 1 1 A 75 75 LYS H H 75 7.245 7.527 -0.282 1
1 886 . 19 1 1 A 75 75 LYS HA H 75 4.200 4.175 0.025 1
1 895 . 19 1 1 A 75 75 LYS C C 75 173.717 176.907 -3.190 1
1 896 . 19 1 1 A 75 75 LYS CA C 75 59.003 58.583 0.420 1
1 897 . 19 1 1 A 75 75 LYS CB C 75 31.846 31.536 0.310 1
1 901 . 19 1 1 A 75 75 LYS N N 75 121.129 121.755 -0.626 1
1 902 . 19 1 1 A 76 76 LYS H H 76 7.841 7.875 -0.034 1
1 903 . 19 1 1 A 76 76 LYS HA H 76 3.738 2.714 1.024 1
1 912 . 19 1 1 A 76 76 LYS C C 76 170.200 175.574 -5.374 1
1 913 . 19 1 1 A 76 76 LYS CA C 76 55.114 54.431 0.683 1
1 914 . 19 1 1 A 76 76 LYS CB C 76 32.393 32.604 -0.211 1
1 918 . 19 1 1 A 76 76 LYS N N 76 114.423 116.781 -2.358 1
1 919 . 19 1 1 A 77 77 GLY H H 77 7.239 7.412 -0.173 1
1 920 . 19 1 1 A 77 77 GLY HA2 H 77 3.737 4.049 -0.312 1
1 921 . 19 1 1 A 77 77 GLY HA3 H 77 4.771 4.052 0.719 1
1 922 . 19 1 1 A 77 77 GLY C C 77 170.795 172.469 -1.674 1
1 923 . 19 1 1 A 77 77 GLY CA C 77 43.770 44.103 -0.333 1
1 924 . 19 1 1 A 77 77 GLY N N 77 103.318 107.236 -3.918 1
1 925 . 19 1 1 A 78 78 ALA H H 78 6.868 8.219 -1.351 1
1 926 . 19 1 1 A 78 78 ALA HA H 78 4.982 5.209 -0.227 1
1 930 . 19 1 1 A 78 78 ALA C C 78 171.904 175.871 -3.967 1
1 931 . 19 1 1 A 78 78 ALA CA C 78 49.907 51.246 -1.339 1
1 932 . 19 1 1 A 78 78 ALA CB C 78 22.601 23.783 -1.182 1
1 933 . 19 1 1 A 78 78 ALA N N 78 117.057 121.121 -4.064 1
1 934 . 19 1 1 A 79 79 LYS H H 79 8.765 9.052 -0.287 1
1 935 . 19 1 1 A 79 79 LYS HA H 79 4.636 4.946 -0.310 1
1 944 . 19 1 1 A 79 79 LYS C C 79 171.039 174.120 -3.081 1
1 945 . 19 1 1 A 79 79 LYS CA C 79 54.485 54.010 0.475 1
1 946 . 19 1 1 A 79 79 LYS CB C 79 35.963 36.265 -0.302 1
1 950 . 19 1 1 A 79 79 LYS N N 79 117.018 115.391 1.627 1
1 951 . 19 1 1 A 80 80 LEU H H 80 8.782 8.722 0.060 1
1 952 . 19 1 1 A 80 80 LEU HA H 80 4.459 4.408 0.051 1
1 962 . 19 1 1 A 80 80 LEU C C 80 173.095 177.333 -4.238 1
1 963 . 19 1 1 A 80 80 LEU CA C 80 52.743 52.213 0.530 1
1 964 . 19 1 1 A 80 80 LEU CB C 80 42.494 44.286 -1.792 1
1 968 . 19 1 1 A 80 80 LEU N N 80 122.496 122.521 -0.025 1
1 969 . 19 1 1 A 81 81 LEU H H 81 8.636 8.583 0.053 1
1 970 . 19 1 1 A 81 81 LEU HA H 81 3.578 4.000 -0.422 1
1 980 . 19 1 1 A 81 81 LEU CA C 81 57.316 58.624 -1.308 1
1 981 . 19 1 1 A 81 81 LEU CB C 81 39.032 42.131 -3.099 1
1 985 . 19 1 1 A 81 81 LEU N N 81 125.060 124.663 0.397 1
1 986 . 19 1 1 A 82 82 HIS H H 82 8.379 7.623 0.756 1
1 987 . 19 1 1 A 82 82 HIS HA H 82 4.551 4.790 -0.239 1
1 992 . 19 1 1 A 82 82 HIS C C 82 172.635 174.105 -1.470 1
1 993 . 19 1 1 A 82 82 HIS CA C 82 55.432 55.075 0.357 1
1 994 . 19 1 1 A 82 82 HIS CB C 82 29.646 31.377 -1.731 1
1 997 . 19 1 1 A 82 82 HIS N N 82 114.387 110.652 3.735 1
1 998 . 19 1 1 A 83 83 LYS H H 83 8.023 7.458 0.565 1
1 999 . 19 1 1 A 83 83 LYS HA H 83 4.670 4.564 0.106 1
1 1008 . 19 1 1 A 83 83 LYS CA C 83 52.041 53.027 -0.986 1
1 1009 . 19 1 1 A 83 83 LYS CB C 83 32.741 34.472 -1.731 1
1 1013 . 19 1 1 A 83 83 LYS N N 83 122.886 118.889 3.997 1
1 1014 . 19 1 1 A 84 84 PRO HA H 84 4.585 4.638 -0.053 1
1 1021 . 19 1 1 A 84 84 PRO C C 84 172.797 175.879 -3.082 1
1 1022 . 19 1 1 A 84 84 PRO CA C 84 62.050 62.199 -0.149 1
1 1023 . 19 1 1 A 84 84 PRO CB C 84 32.770 32.726 0.044 1
1 1026 . 19 1 1 A 85 85 ILE H H 85 6.185 7.704 -1.519 1
1 1027 . 19 1 1 A 85 85 ILE HA H 85 5.743 5.279 0.464 1
1 1037 . 19 1 1 A 85 85 ILE C C 85 174.366 173.945 0.421 1
1 1038 . 19 1 1 A 85 85 ILE CA C 85 57.032 58.457 -1.425 1
1 1039 . 19 1 1 A 85 85 ILE CB C 85 41.265 42.029 -0.764 1
1 1043 . 19 1 1 A 85 85 ILE N N 85 107.777 115.857 -8.080 1
1 1044 . 19 1 1 A 86 86 VAL H H 86 7.552 8.672 -1.120 1
1 1045 . 19 1 1 A 86 86 VAL HA H 86 4.278 4.686 -0.408 1
1 1053 . 19 1 1 A 86 86 VAL CA C 86 59.345 58.588 0.757 1
1 1054 . 19 1 1 A 86 86 VAL CB C 86 34.990 35.535 -0.545 1
1 1057 . 19 1 1 A 86 86 VAL N N 86 109.584 116.921 -7.337 1
1 1058 . 19 1 1 A 87 87 TRP H H 87 10.036 8.538 1.498 1
1 1059 . 19 1 1 A 87 87 TRP HA H 87 6.158 5.681 0.477 1
1 1068 . 19 1 1 A 87 87 TRP C C 87 174.393 176.477 -2.084 1
1 1069 . 19 1 1 A 87 87 TRP CA C 87 55.238 56.276 -1.038 1
1 1070 . 19 1 1 A 87 87 TRP CB C 87 32.786 30.428 2.358 1
1 1076 . 19 1 1 A 87 87 TRP N N 87 122.256 123.558 -1.302 1
1 1078 . 19 1 1 A 88 88 HIS H H 88 8.802 9.136 -0.334 1
1 1079 . 19 1 1 A 88 88 HIS HA H 88 5.383 5.885 -0.502 1
1 1085 . 19 1 1 A 88 88 HIS CA C 88 53.902 53.739 0.163 1
1 1086 . 19 1 1 A 88 88 HIS CB C 88 37.553 33.066 4.487 1
1 1089 . 19 1 1 A 88 88 HIS N N 88 116.636 119.266 -2.630 1
1 1090 . 19 1 1 A 89 89 ILE H H 89 9.197 8.564 0.633 1
1 1091 . 19 1 1 A 89 89 ILE HA H 89 4.022 4.251 -0.229 1
1 1101 . 19 1 1 A 89 89 ILE C C 89 174.582 175.622 -1.040 1
1 1102 . 19 1 1 A 89 89 ILE CA C 89 61.042 60.599 0.443 1
1 1103 . 19 1 1 A 89 89 ILE CB C 89 40.176 39.402 0.774 1
1 1107 . 19 1 1 A 89 89 ILE N N 89 118.669 121.752 -3.083 1
1 1108 . 19 1 1 A 90 90 ASN H H 90 9.688 7.388 2.300 1
1 1109 . 19 1 1 A 90 90 ASN HA H 90 4.281 4.674 -0.393 1
1 1114 . 19 1 1 A 90 90 ASN C C 90 171.418 174.968 -3.550 1
1 1115 . 19 1 1 A 90 90 ASN CA C 90 53.724 52.594 1.130 1
1 1116 . 19 1 1 A 90 90 ASN CB C 90 36.919 38.420 -1.501 1
1 1117 . 19 1 1 A 90 90 ASN N N 90 128.710 117.839 10.871 1
1 1119 . 19 1 1 A 91 91 GLN H H 91 10.928 7.904 3.024 1
1 1120 . 19 1 1 A 91 91 GLN HA H 91 2.586 3.234 -0.648 1
1 1127 . 19 1 1 A 91 91 GLN C C 91 170.146 173.804 -3.658 1
1 1128 . 19 1 1 A 91 91 GLN CA C 91 55.444 56.845 -1.401 1
1 1129 . 19 1 1 A 91 91 GLN CB C 91 23.948 26.027 -2.079 1
1 1131 . 19 1 1 A 91 91 GLN N N 91 112.871 112.636 0.235 1
1 1133 . 19 1 1 A 92 92 ALA H H 92 7.692 7.443 0.249 1
1 1134 . 19 1 1 A 92 92 ALA HA H 92 4.979 5.210 -0.231 1
1 1138 . 19 1 1 A 92 92 ALA C C 92 174.068 175.370 -1.302 1
1 1139 . 19 1 1 A 92 92 ALA CA C 92 49.792 50.444 -0.652 1
1 1140 . 19 1 1 A 92 92 ALA CB C 92 21.832 23.309 -1.477 1
1 1141 . 19 1 1 A 92 92 ALA N N 92 118.287 119.414 -1.127 1
1 1142 . 19 1 1 A 93 93 THR H H 93 9.026 9.045 -0.019 1
1 1143 . 19 1 1 A 93 93 THR HA H 93 5.281 5.414 -0.133 1
1 1148 . 19 1 1 A 93 93 THR C C 93 170.768 173.459 -2.691 1
1 1149 . 19 1 1 A 93 93 THR CA C 93 58.597 60.440 -1.843 1
1 1150 . 19 1 1 A 93 93 THR CB C 93 70.855 71.475 -0.620 1
1 1152 . 19 1 1 A 93 93 THR N N 93 114.894 114.524 0.370 1
1 1153 . 19 1 1 A 94 94 THR H H 94 8.292 8.536 -0.244 1
1 1154 . 19 1 1 A 94 94 THR HA H 94 4.903 4.896 0.007 1
1 1159 . 19 1 1 A 94 94 THR CA C 94 58.800 59.454 -0.654 1
1 1160 . 19 1 1 A 94 94 THR CB C 94 71.488 71.783 -0.295 1
1 1162 . 19 1 1 A 94 94 THR N N 94 119.907 117.669 2.238 1
1 1163 . 19 1 1 A 95 95 LYS HA H 95 4.056 4.100 -0.044 1
1 1172 . 19 1 1 A 95 95 LYS CA C 95 59.376 59.786 -0.410 1
1 1173 . 19 1 1 A 95 95 LYS CB C 95 31.083 32.230 -1.147 1
1 1177 . 19 1 1 A 96 96 THR H H 96 7.773 7.903 -0.130 1
1 1178 . 19 1 1 A 96 96 THR HA H 96 3.798 4.145 -0.347 1
1 1183 . 19 1 1 A 96 96 THR C C 96 171.850 176.389 -4.539 1
1 1184 . 19 1 1 A 96 96 THR CA C 96 64.506 66.863 -2.357 1
1 1185 . 19 1 1 A 96 96 THR CB C 96 68.405 68.420 -0.015 1
1 1187 . 19 1 1 A 96 96 THR N N 96 113.841 117.250 -3.409 1
1 1188 . 19 1 1 A 97 97 THR H H 97 6.795 7.603 -0.808 1
1 1189 . 19 1 1 A 97 97 THR HA H 97 3.604 4.500 -0.896 1
1 1194 . 19 1 1 A 97 97 THR C C 97 171.959 176.322 -4.363 1
1 1195 . 19 1 1 A 97 97 THR CA C 97 61.209 62.632 -1.423 1
1 1196 . 19 1 1 A 97 97 THR CB C 97 67.962 69.934 -1.972 1
1 1198 . 19 1 1 A 97 97 THR N N 97 105.731 110.305 -4.574 1
1 1199 . 19 1 1 A 98 98 PHE H H 98 7.410 8.539 -1.129 1
1 1200 . 19 1 1 A 98 98 PHE HA H 98 4.220 4.091 0.129 1
1 1207 . 19 1 1 A 98 98 PHE C C 98 174.528 177.096 -2.568 1
1 1208 . 19 1 1 A 98 98 PHE CA C 98 61.879 62.143 -0.264 1
1 1209 . 19 1 1 A 98 98 PHE CB C 98 38.875 39.419 -0.544 1
1 1214 . 19 1 1 A 98 98 PHE N N 98 126.402 123.705 2.697 1
1 1215 . 19 1 1 A 99 99 LYS H H 99 9.459 8.308 1.151 1
1 1216 . 19 1 1 A 99 99 LYS HA H 99 4.089 3.440 0.649 1
1 1225 . 19 1 1 A 99 99 LYS CA C 99 60.763 61.231 -0.468 1
1 1226 . 19 1 1 A 99 99 LYS CB C 99 28.635 31.086 -2.451 1
1 1230 . 19 1 1 A 99 99 LYS N N 99 121.490 117.135 4.355 1
1 1231 . 19 1 1 A 100 100 PRO HA H 100 4.922 4.539 0.383 1
1 1238 . 19 1 1 A 100 100 PRO C C 100 177.314 178.537 -1.223 1
1 1239 . 19 1 1 A 100 100 PRO CA C 100 66.173 65.200 0.973 1
1 1240 . 19 1 1 A 100 100 PRO CB C 100 31.535 30.992 0.543 1
1 1243 . 19 1 1 A 101 101 ASN H H 101 8.530 8.524 0.006 1
1 1244 . 19 1 1 A 101 101 ASN HA H 101 5.244 4.528 0.716 1
1 1249 . 19 1 1 A 101 101 ASN C C 101 175.204 177.679 -2.475 1
1 1250 . 19 1 1 A 101 101 ASN CA C 101 54.555 55.220 -0.665 1
1 1251 . 19 1 1 A 101 101 ASN CB C 101 36.187 38.537 -2.350 1
1 1252 . 19 1 1 A 101 101 ASN N N 101 115.238 115.913 -0.675 1
1 1254 . 19 1 1 A 102 102 THR H H 102 8.488 8.096 0.392 1
1 1255 . 19 1 1 A 102 102 THR HA H 102 4.184 3.918 0.266 1
1 1260 . 19 1 1 A 102 102 THR C C 102 171.472 176.698 -5.226 1
1 1261 . 19 1 1 A 102 102 THR CA C 102 67.543 65.593 1.950 1
1 1262 . 19 1 1 A 102 102 THR CB C 102 67.001 67.980 -0.979 1
1 1264 . 19 1 1 A 102 102 THR N N 102 120.254 111.495 8.759 1
1 1265 . 19 1 1 A 103 103 TRP H H 103 7.283 7.655 -0.372 1
1 1266 . 19 1 1 A 103 103 TRP HA H 103 3.986 4.229 -0.243 1
1 1275 . 19 1 1 A 103 103 TRP C C 103 175.800 178.212 -2.412 1
1 1276 . 19 1 1 A 103 103 TRP CA C 103 60.856 59.678 1.178 1
1 1277 . 19 1 1 A 103 103 TRP CB C 103 27.948 28.972 -1.024 1
1 1283 . 19 1 1 A 103 103 TRP N N 103 121.763 121.233 0.530 1
1 1285 . 19 1 1 A 104 104 CYS H H 104 8.233 7.933 0.300 1
1 1286 . 19 1 1 A 104 104 CYS HA H 104 4.272 4.069 0.203 1
1 1289 . 19 1 1 A 104 104 CYS C C 104 176.259 176.694 -0.435 1
1 1290 . 19 1 1 A 104 104 CYS CA C 104 65.226 62.371 2.855 1
1 1291 . 19 1 1 A 104 104 CYS CB C 104 26.949 26.688 0.261 1
1 1292 . 19 1 1 A 104 104 CYS N N 104 118.046 118.999 -0.953 1
1 1293 . 19 1 1 A 105 105 LEU H H 105 8.726 7.819 0.907 1
1 1294 . 19 1 1 A 105 105 LEU HA H 105 4.000 4.139 -0.139 1
1 1304 . 19 1 1 A 105 105 LEU C C 105 176.205 176.858 -0.653 1
1 1305 . 19 1 1 A 105 105 LEU CA C 105 57.810 55.210 2.600 1
1 1306 . 19 1 1 A 105 105 LEU CB C 105 40.484 41.124 -0.640 1
1 1310 . 19 1 1 A 105 105 LEU N N 105 120.557 120.320 0.237 1
1 1311 . 19 1 1 A 106 106 ARG H H 106 6.990 7.624 -0.634 1
1 1312 . 19 1 1 A 106 106 ARG HA H 106 2.054 2.351 -0.297 1
1 1319 . 19 1 1 A 106 106 ARG C C 106 177.179 176.681 0.498 1
1 1320 . 19 1 1 A 106 106 ARG CA C 106 57.405 54.833 2.572 1
1 1321 . 19 1 1 A 106 106 ARG CB C 106 29.269 30.403 -1.134 1
1 1324 . 19 1 1 A 106 106 ARG N N 106 118.050 116.987 1.063 1
1 1325 . 19 1 1 A 107 107 CYS H H 107 7.623 7.852 -0.229 1
1 1326 . 19 1 1 A 107 107 CYS HA H 107 4.031 4.415 -0.384 1
1 1329 . 19 1 1 A 107 107 CYS C C 107 172.337 176.437 -4.100 1
1 1330 . 19 1 1 A 107 107 CYS CA C 107 63.291 60.864 2.427 1
1 1331 . 19 1 1 A 107 107 CYS CB C 107 26.214 27.865 -1.651 1
1 1332 . 19 1 1 A 107 107 CYS N N 107 117.028 118.232 -1.204 1
1 1333 . 19 1 1 A 108 108 LEU H H 108 7.484 7.455 0.029 1
1 1334 . 19 1 1 A 108 108 LEU HA H 108 4.159 4.254 -0.095 1
1 1344 . 19 1 1 A 108 108 LEU C C 108 174.582 177.300 -2.718 1
1 1345 . 19 1 1 A 108 108 LEU CA C 108 54.203 56.085 -1.882 1
1 1346 . 19 1 1 A 108 108 LEU CB C 108 41.621 41.865 -0.244 1
1 1350 . 19 1 1 A 108 108 LEU N N 108 117.680 117.874 -0.194 1
1 1351 . 19 1 1 A 109 109 TRP H H 109 7.427 7.783 -0.356 1
1 1352 . 19 1 1 A 109 109 TRP HA H 109 4.828 5.088 -0.260 1
1 1361 . 19 1 1 A 109 109 TRP C C 109 173.176 177.039 -3.863 1
1 1362 . 19 1 1 A 109 109 TRP CA C 109 56.353 58.093 -1.740 1
1 1363 . 19 1 1 A 109 109 TRP CB C 109 29.743 30.506 -0.763 1
1 1369 . 19 1 1 A 109 109 TRP N N 109 119.087 121.360 -2.273 1
1 1371 . 19 1 1 A 110 110 SER H H 110 8.199 9.522 -1.323 1
1 1372 . 19 1 1 A 110 110 SER HA H 110 4.688 5.233 -0.545 1
1 1375 . 19 1 1 A 110 110 SER C C 110 171.769 173.107 -1.338 1
1 1376 . 19 1 1 A 110 110 SER CA C 110 56.324 57.675 -1.351 1
1 1377 . 19 1 1 A 110 110 SER CB C 110 64.513 65.355 -0.842 1
1 1378 . 19 1 1 A 110 110 SER N N 110 115.602 116.698 -1.096 1
1 1379 . 19 1 1 A 111 111 THR H H 111 8.268 8.747 -0.479 1
1 1380 . 19 1 1 A 111 111 THR HA H 111 4.425 4.578 -0.153 1
1 1385 . 19 1 1 A 111 111 THR C C 111 171.526 174.084 -2.558 1
1 1386 . 19 1 1 A 111 111 THR CA C 111 60.861 61.198 -0.337 1
1 1387 . 19 1 1 A 111 111 THR CB C 111 69.202 69.044 0.158 1
1 1389 . 19 1 1 A 111 111 THR N N 111 114.394 118.104 -3.710 1
1 1390 . 19 1 1 A 112 112 LYS H H 112 8.240 8.492 -0.252 1
1 1391 . 19 1 1 A 112 112 LYS HA H 112 4.530 4.868 -0.338 1
1 1400 . 19 1 1 A 112 112 LYS CA C 112 53.768 52.995 0.773 1
1 1401 . 19 1 1 A 112 112 LYS CB C 112 32.067 34.920 -2.853 1
1 1405 . 19 1 1 A 112 112 LYS N N 112 125.207 126.457 -1.250 1
1 1406 . 19 1 1 A 113 113 PRO HA H 113 4.380 4.618 -0.238 1
1 1413 . 19 1 1 A 113 113 PRO C C 113 174.095 177.782 -3.687 1
1 1414 . 19 1 1 A 113 113 PRO CA C 113 62.381 62.294 0.087 1
1 1415 . 19 1 1 A 113 113 PRO CB C 113 31.408 32.814 -1.406 1
1 1418 . 19 1 1 A 114 114 VAL H H 114 8.195 8.781 -0.586 1
1 1419 . 19 1 1 A 114 114 VAL HA H 114 4.029 3.870 0.159 1
1 1427 . 19 1 1 A 114 114 VAL C C 114 173.122 175.046 -1.924 1
1 1428 . 19 1 1 A 114 114 VAL CA C 114 61.335 63.235 -1.900 1
1 1429 . 19 1 1 A 114 114 VAL CB C 114 32.153 29.621 2.532 1
1 1432 . 19 1 1 A 114 114 VAL N N 114 120.113 121.604 -1.491 1
1 1433 . 19 1 1 A 115 115 ASP H H 115 8.345 7.987 0.358 1
1 1434 . 19 1 1 A 115 115 ASP HA H 115 4.592 4.799 -0.207 1
1 1437 . 19 1 1 A 115 115 ASP C C 115 172.608 175.662 -3.054 1
1 1438 . 19 1 1 A 115 115 ASP CA C 115 53.202 53.289 -0.087 1
1 1439 . 19 1 1 A 115 115 ASP CB C 115 40.552 41.393 -0.841 1
1 1440 . 19 1 1 A 115 115 ASP N N 115 123.853 121.424 2.429 1
1 1 . 20 1 1 A 2 2 TYR HA H 2 4.617 4.275 0.342 1
1 7 . 20 1 1 A 2 2 TYR C C 2 172.716 176.853 -4.137 1
1 8 . 20 1 1 A 2 2 TYR CA C 2 56.943 61.057 -4.114 1
1 9 . 20 1 1 A 2 2 TYR CB C 2 38.050 38.148 -0.098 1
1 14 . 20 1 1 A 2 2 TYR N N 2 121.461 118.317 3.144 1
1 15 . 20 1 1 A 3 3 THR H H 3 7.984 6.467 1.517 1
1 16 . 20 1 1 A 3 3 THR HA H 3 4.684 4.464 0.220 1
1 21 . 20 1 1 A 3 3 THR C C 3 170.931 173.692 -2.761 1
1 22 . 20 1 1 A 3 3 THR CA C 3 60.870 61.092 -0.222 1
1 23 . 20 1 1 A 3 3 THR CB C 3 69.270 68.910 0.360 1
1 25 . 20 1 1 A 3 3 THR N N 3 117.624 112.166 5.458 1
1 26 . 20 1 1 A 4 4 GLU H H 4 8.290 7.673 0.617 1
1 27 . 20 1 1 A 4 4 GLU HA H 4 4.183 4.118 0.065 1
1 32 . 20 1 1 A 4 4 GLU C C 4 173.013 176.550 -3.537 1
1 33 . 20 1 1 A 4 4 GLU CA C 4 55.876 57.144 -1.268 1
1 34 . 20 1 1 A 4 4 GLU CB C 4 29.779 30.363 -0.584 1
1 36 . 20 1 1 A 4 4 GLU N N 4 123.377 123.427 -0.050 1
1 37 . 20 1 1 A 5 5 GLN H H 5 8.329 8.539 -0.210 1
1 38 . 20 1 1 A 5 5 GLN HA H 5 4.392 4.348 0.044 1
1 43 . 20 1 1 A 5 5 GLN CA C 5 52.634 54.296 -1.662 1
1 44 . 20 1 1 A 5 5 GLN CB C 5 28.759 27.929 0.830 1
1 46 . 20 1 1 A 5 5 GLN N N 5 122.599 125.635 -3.036 1
1 47 . 20 1 1 A 6 6 PRO HA H 6 4.323 4.102 0.221 1
1 54 . 20 1 1 A 6 6 PRO C C 6 173.636 176.106 -2.470 1
1 55 . 20 1 1 A 6 6 PRO CA C 6 62.080 62.060 0.020 1
1 56 . 20 1 1 A 6 6 PRO CB C 6 30.785 31.700 -0.915 1
1 59 . 20 1 1 A 7 7 ILE H H 7 8.160 8.441 -0.281 1
1 60 . 20 1 1 A 7 7 ILE HA H 7 3.871 3.917 -0.046 1
1 70 . 20 1 1 A 7 7 ILE C C 7 172.770 176.485 -3.715 1
1 71 . 20 1 1 A 7 7 ILE CA C 7 60.589 60.642 -0.053 1
1 72 . 20 1 1 A 7 7 ILE CB C 7 38.318 36.752 1.566 1
1 76 . 20 1 1 A 7 7 ILE N N 7 121.913 121.389 0.524 1
1 77 . 20 1 1 A 8 8 ASP H H 8 8.126 8.627 -0.501 1
1 78 . 20 1 1 A 8 8 ASP HA H 8 4.584 4.156 0.428 1
1 81 . 20 1 1 A 8 8 ASP C C 8 171.742 175.621 -3.879 1
1 82 . 20 1 1 A 8 8 ASP CA C 8 53.265 55.280 -2.015 1
1 83 . 20 1 1 A 8 8 ASP CB C 8 39.521 39.886 -0.365 1
1 84 . 20 1 1 A 8 8 ASP N N 8 124.858 124.932 -0.074 1
1 85 . 20 1 1 A 9 9 LEU H H 9 7.374 7.868 -0.494 1
1 86 . 20 1 1 A 9 9 LEU HA H 9 4.506 4.430 0.076 1
1 96 . 20 1 1 A 9 9 LEU C C 9 174.041 175.941 -1.900 1
1 97 . 20 1 1 A 9 9 LEU CA C 9 53.779 55.403 -1.624 1
1 98 . 20 1 1 A 9 9 LEU CB C 9 43.411 42.949 0.462 1
1 102 . 20 1 1 A 9 9 LEU N N 9 122.151 120.562 1.589 1
1 103 . 20 1 1 A 10 10 VAL H H 10 8.827 8.941 -0.114 1
1 104 . 20 1 1 A 10 10 VAL HA H 10 4.841 4.947 -0.106 1
1 112 . 20 1 1 A 10 10 VAL CA C 10 57.706 58.239 -0.533 1
1 113 . 20 1 1 A 10 10 VAL CB C 10 33.895 34.961 -1.066 1
1 116 . 20 1 1 A 10 10 VAL N N 10 120.738 119.174 1.564 1
1 117 . 20 1 1 A 11 11 PRO HA H 11 4.766 4.919 -0.153 1
1 124 . 20 1 1 A 11 11 PRO C C 11 173.149 175.082 -1.933 1
1 125 . 20 1 1 A 11 11 PRO CA C 11 62.417 62.590 -0.173 1
1 126 . 20 1 1 A 11 11 PRO CB C 11 32.119 32.704 -0.585 1
1 129 . 20 1 1 A 12 12 THR H H 12 7.408 8.643 -1.235 1
1 130 . 20 1 1 A 12 12 THR HA H 12 4.280 4.760 -0.480 1
1 135 . 20 1 1 A 12 12 THR C C 12 166.981 172.143 -5.162 1
1 136 . 20 1 1 A 12 12 THR CA C 12 59.142 59.663 -0.521 1
1 137 . 20 1 1 A 12 12 THR CB C 12 68.812 70.445 -1.633 1
1 139 . 20 1 1 A 12 12 THR N N 12 115.177 116.419 -1.242 1
1 140 . 20 1 1 A 13 13 GLN H H 13 7.953 8.532 -0.579 1
1 141 . 20 1 1 A 13 13 GLN HA H 13 5.073 4.899 0.174 1
1 146 . 20 1 1 A 13 13 GLN CA C 13 52.836 52.738 0.098 1
1 147 . 20 1 1 A 13 13 GLN CB C 13 28.566 31.782 -3.216 1
1 149 . 20 1 1 A 13 13 GLN N N 13 113.324 121.130 -7.806 1
1 150 . 20 1 1 A 14 14 PRO HA H 14 4.340 4.755 -0.415 1
1 157 . 20 1 1 A 14 14 PRO C C 14 173.392 176.448 -3.056 1
1 158 . 20 1 1 A 14 14 PRO CA C 14 62.498 62.399 0.099 1
1 159 . 20 1 1 A 14 14 PRO CB C 14 31.565 32.475 -0.910 1
1 162 . 20 1 1 A 15 15 LEU H H 15 8.764 8.355 0.409 1
1 163 . 20 1 1 A 15 15 LEU HA H 15 4.511 4.542 -0.031 1
1 173 . 20 1 1 A 15 15 LEU CA C 15 52.597 53.564 -0.967 1
1 174 . 20 1 1 A 15 15 LEU CB C 15 40.769 41.580 -0.811 1
1 178 . 20 1 1 A 15 15 LEU N N 15 124.665 121.705 2.960 1
1 179 . 20 1 1 A 16 16 PRO HA H 16 4.325 4.624 -0.299 1
1 186 . 20 1 1 A 16 16 PRO CA C 16 63.358 62.975 0.383 1
1 187 . 20 1 1 A 16 16 PRO CB C 16 31.187 32.660 -1.473 1
1 190 . 20 1 1 A 17 17 ASN H H 17 8.682 8.930 -0.248 1
1 191 . 20 1 1 A 17 17 ASN HA H 17 4.586 4.628 -0.042 1
1 196 . 20 1 1 A 17 17 ASN C C 17 174.691 174.910 -0.219 1
1 197 . 20 1 1 A 17 17 ASN CA C 17 52.745 54.300 -1.555 1
1 198 . 20 1 1 A 17 17 ASN CB C 17 36.762 36.419 0.343 1
1 199 . 20 1 1 A 17 17 ASN N N 17 114.315 120.041 -5.726 1
1 201 . 20 1 1 A 18 18 ALA H H 18 7.283 8.136 -0.853 1
1 202 . 20 1 1 A 18 18 ALA HA H 18 4.569 4.479 0.090 1
1 206 . 20 1 1 A 18 18 ALA C C 18 174.041 176.777 -2.736 1
1 207 . 20 1 1 A 18 18 ALA CA C 18 51.618 52.809 -1.191 1
1 208 . 20 1 1 A 18 18 ALA CB C 18 20.698 20.275 0.423 1
1 209 . 20 1 1 A 18 18 ALA N N 18 121.620 124.085 -2.465 1
1 210 . 20 1 1 A 19 19 SER H H 19 8.744 9.037 -0.293 1
1 211 . 20 1 1 A 19 19 SER HA H 19 4.479 4.694 -0.215 1
1 214 . 20 1 1 A 19 19 SER C C 19 169.984 172.222 -2.238 1
1 215 . 20 1 1 A 19 19 SER CA C 19 56.634 56.874 -0.240 1
1 216 . 20 1 1 A 19 19 SER CB C 19 65.044 66.048 -1.004 1
1 217 . 20 1 1 A 19 19 SER N N 19 113.995 113.482 0.513 1
1 218 . 20 1 1 A 20 20 PHE H H 20 7.753 7.699 0.054 1
1 219 . 20 1 1 A 20 20 PHE HA H 20 3.514 3.981 -0.467 1
1 226 . 20 1 1 A 20 20 PHE C C 20 172.635 173.964 -1.329 1
1 227 . 20 1 1 A 20 20 PHE CA C 20 58.070 59.147 -1.077 1
1 228 . 20 1 1 A 20 20 PHE CB C 20 37.588 39.155 -1.567 1
1 233 . 20 1 1 A 20 20 PHE N N 20 124.690 123.501 1.189 1
1 234 . 20 1 1 A 21 21 ASP H H 21 8.288 7.327 0.961 1
1 235 . 20 1 1 A 21 21 ASP HA H 21 4.351 4.764 -0.413 1
1 238 . 20 1 1 A 21 21 ASP CA C 21 51.826 51.628 0.198 1
1 239 . 20 1 1 A 21 21 ASP CB C 21 38.598 44.621 -6.023 1
1 240 . 20 1 1 A 21 21 ASP N N 21 127.080 126.582 0.498 1
1 241 . 20 1 1 A 22 22 ASN HA H 22 3.766 4.658 -0.892 1
1 246 . 20 1 1 A 22 22 ASN C C 22 171.688 175.146 -3.458 1
1 247 . 20 1 1 A 22 22 ASN CA C 22 54.954 53.735 1.219 1
1 248 . 20 1 1 A 22 22 ASN CB C 22 37.641 38.302 -0.661 1
1 250 . 20 1 1 A 23 23 PHE H H 23 5.484 7.245 -1.761 1
1 251 . 20 1 1 A 23 23 PHE HA H 23 4.804 4.529 0.275 1
1 259 . 20 1 1 A 23 23 PHE C C 23 169.768 174.786 -5.018 1
1 260 . 20 1 1 A 23 23 PHE CA C 23 54.649 56.999 -2.350 1
1 261 . 20 1 1 A 23 23 PHE CB C 23 39.850 39.676 0.174 1
1 267 . 20 1 1 A 23 23 PHE N N 23 112.858 118.314 -5.456 1
1 268 . 20 1 1 A 24 24 LYS H H 24 8.329 8.978 -0.649 1
1 269 . 20 1 1 A 24 24 LYS HA H 24 3.719 4.537 -0.818 1
1 278 . 20 1 1 A 24 24 LYS C C 24 171.959 175.046 -3.087 1
1 279 . 20 1 1 A 24 24 LYS CA C 24 53.756 54.191 -0.435 1
1 280 . 20 1 1 A 24 24 LYS CB C 24 36.279 34.707 1.572 1
1 284 . 20 1 1 A 24 24 LYS N N 24 119.724 121.990 -2.266 1
1 285 . 20 1 1 A 25 25 LEU H H 25 9.144 8.221 0.923 1
1 286 . 20 1 1 A 25 25 LEU HA H 25 5.462 5.308 0.154 1
1 296 . 20 1 1 A 25 25 LEU C C 25 174.609 175.877 -1.268 1
1 297 . 20 1 1 A 25 25 LEU CA C 25 53.208 53.336 -0.128 1
1 298 . 20 1 1 A 25 25 LEU CB C 25 41.419 44.351 -2.932 1
1 302 . 20 1 1 A 25 25 LEU N N 25 126.849 125.022 1.827 1
1 303 . 20 1 1 A 26 26 THR H H 26 8.956 9.118 -0.162 1
1 304 . 20 1 1 A 26 26 THR HA H 26 4.471 5.321 -0.850 1
1 309 . 20 1 1 A 26 26 THR C C 26 169.524 172.979 -3.455 1
1 310 . 20 1 1 A 26 26 THR CA C 26 58.769 59.736 -0.967 1
1 311 . 20 1 1 A 26 26 THR CB C 26 69.971 72.568 -2.597 1
1 313 . 20 1 1 A 26 26 THR N N 26 113.907 114.018 -0.111 1
1 314 . 20 1 1 A 27 27 CYS H H 27 8.507 8.627 -0.120 1
1 315 . 20 1 1 A 27 27 CYS HA H 27 4.509 4.732 -0.223 1
1 318 . 20 1 1 A 27 27 CYS C C 27 169.984 174.435 -4.451 1
1 319 . 20 1 1 A 27 27 CYS CA C 27 57.948 57.778 0.170 1
1 320 . 20 1 1 A 27 27 CYS CB C 27 29.529 30.517 -0.988 1
1 321 . 20 1 1 A 27 27 CYS N N 27 120.842 119.352 1.490 1
1 322 . 20 1 1 A 28 28 SER H H 28 9.044 8.572 0.472 1
1 323 . 20 1 1 A 28 28 SER HA H 28 4.140 4.139 0.001 1
1 326 . 20 1 1 A 28 28 SER C C 28 172.716 174.717 -2.001 1
1 327 . 20 1 1 A 28 28 SER CA C 28 60.986 61.194 -0.208 1
1 328 . 20 1 1 A 28 28 SER CB C 28 61.437 62.614 -1.177 1
1 329 . 20 1 1 A 28 28 SER N N 28 124.898 119.838 5.060 1
1 330 . 20 1 1 A 29 29 ASN H H 29 7.825 7.241 0.584 1
1 331 . 20 1 1 A 29 29 ASN HA H 29 4.951 4.806 0.145 1
1 336 . 20 1 1 A 29 29 ASN C C 29 171.688 175.821 -4.133 1
1 337 . 20 1 1 A 29 29 ASN CA C 29 52.155 52.744 -0.589 1
1 338 . 20 1 1 A 29 29 ASN CB C 29 36.980 39.946 -2.966 1
1 339 . 20 1 1 A 29 29 ASN N N 29 121.001 118.716 2.285 1
1 341 . 20 1 1 A 30 30 THR H H 30 8.062 8.884 -0.822 1
1 342 . 20 1 1 A 30 30 THR HA H 30 3.901 3.999 -0.098 1
1 347 . 20 1 1 A 30 30 THR C C 30 173.338 176.803 -3.465 1
1 348 . 20 1 1 A 30 30 THR CA C 30 64.874 66.422 -1.548 1
1 349 . 20 1 1 A 30 30 THR CB C 30 67.715 68.585 -0.870 1
1 351 . 20 1 1 A 30 30 THR N N 30 119.799 119.624 0.175 1
1 352 . 20 1 1 A 31 31 LYS H H 31 8.015 7.836 0.179 1
1 353 . 20 1 1 A 31 31 LYS HA H 31 4.119 3.982 0.137 1
1 362 . 20 1 1 A 31 31 LYS C C 31 174.231 178.525 -4.294 1
1 363 . 20 1 1 A 31 31 LYS CA C 31 58.286 59.383 -1.097 1
1 364 . 20 1 1 A 31 31 LYS CB C 31 31.547 32.238 -0.691 1
1 368 . 20 1 1 A 31 31 LYS N N 31 122.845 122.556 0.289 1
1 369 . 20 1 1 A 32 32 PHE H H 32 7.739 8.268 -0.529 1
1 370 . 20 1 1 A 32 32 PHE HA H 32 4.652 4.285 0.367 1
1 378 . 20 1 1 A 32 32 PHE C C 32 174.691 176.944 -2.253 1
1 379 . 20 1 1 A 32 32 PHE CA C 32 59.954 61.877 -1.923 1
1 380 . 20 1 1 A 32 32 PHE CB C 32 38.444 39.246 -0.802 1
1 386 . 20 1 1 A 32 32 PHE N N 32 120.100 121.006 -0.906 1
1 387 . 20 1 1 A 33 33 ALA H H 33 6.955 8.216 -1.261 1
1 388 . 20 1 1 A 33 33 ALA HA H 33 3.555 4.071 -0.516 1
1 392 . 20 1 1 A 33 33 ALA C C 33 175.502 179.554 -4.052 1
1 393 . 20 1 1 A 33 33 ALA CA C 33 54.703 55.292 -0.589 1
1 394 . 20 1 1 A 33 33 ALA CB C 33 17.085 18.450 -1.365 1
1 395 . 20 1 1 A 33 33 ALA N N 33 116.140 121.270 -5.130 1
1 396 . 20 1 1 A 34 34 ASP H H 34 8.795 8.359 0.436 1
1 397 . 20 1 1 A 34 34 ASP HA H 34 4.367 4.389 -0.022 1
1 400 . 20 1 1 A 34 34 ASP C C 34 176.854 178.218 -1.364 1
1 401 . 20 1 1 A 34 34 ASP CA C 34 56.911 57.500 -0.589 1
1 402 . 20 1 1 A 34 34 ASP CB C 34 39.495 41.318 -1.823 1
1 403 . 20 1 1 A 34 34 ASP N N 34 118.170 118.557 -0.387 1
1 404 . 20 1 1 A 35 35 ASP H H 35 8.791 8.725 0.066 1
1 405 . 20 1 1 A 35 35 ASP HA H 35 4.360 4.536 -0.176 1
1 408 . 20 1 1 A 35 35 ASP C C 35 177.233 178.870 -1.637 1
1 409 . 20 1 1 A 35 35 ASP CA C 35 56.890 57.566 -0.676 1
1 410 . 20 1 1 A 35 35 ASP CB C 35 39.291 40.857 -1.566 1
1 411 . 20 1 1 A 35 35 ASP N N 35 121.921 119.619 2.302 1
1 412 . 20 1 1 A 36 36 LEU H H 36 7.792 8.002 -0.210 1
1 413 . 20 1 1 A 36 36 LEU HA H 36 4.162 3.960 0.202 1
1 423 . 20 1 1 A 36 36 LEU C C 36 176.097 179.447 -3.350 1
1 424 . 20 1 1 A 36 36 LEU CA C 36 57.508 57.927 -0.419 1
1 425 . 20 1 1 A 36 36 LEU CB C 36 41.523 41.511 0.012 1
1 429 . 20 1 1 A 36 36 LEU N N 36 121.822 120.959 0.863 1
1 430 . 20 1 1 A 37 37 ASN H H 37 9.015 8.460 0.555 1
1 431 . 20 1 1 A 37 37 ASN HA H 37 4.733 4.636 0.097 1
1 436 . 20 1 1 A 37 37 ASN C C 37 176.232 177.947 -1.715 1
1 437 . 20 1 1 A 37 37 ASN CA C 37 54.288 56.434 -2.146 1
1 438 . 20 1 1 A 37 37 ASN CB C 37 37.337 38.249 -0.912 1
1 439 . 20 1 1 A 37 37 ASN N N 37 116.904 116.700 0.204 1
1 441 . 20 1 1 A 38 38 GLN H H 38 8.218 7.608 0.610 1
1 442 . 20 1 1 A 38 38 GLN HA H 38 4.074 4.267 -0.193 1
1 447 . 20 1 1 A 38 38 GLN C C 38 175.773 177.089 -1.316 1
1 448 . 20 1 1 A 38 38 GLN CA C 38 58.134 58.201 -0.067 1
1 449 . 20 1 1 A 38 38 GLN CB C 38 27.676 28.284 -0.608 1
1 451 . 20 1 1 A 38 38 GLN N N 38 121.443 119.184 2.259 1
1 452 . 20 1 1 A 39 39 MET H H 39 7.487 7.958 -0.471 1
1 453 . 20 1 1 A 39 39 MET HA H 39 3.967 4.432 -0.465 1
1 461 . 20 1 1 A 39 39 MET C C 39 176.259 177.657 -1.398 1
1 462 . 20 1 1 A 39 39 MET CA C 39 58.374 57.522 0.852 1
1 463 . 20 1 1 A 39 39 MET CB C 39 33.000 32.761 0.239 1
1 466 . 20 1 1 A 39 39 MET N N 39 118.793 118.431 0.362 1
1 467 . 20 1 1 A 40 40 THR H H 40 7.873 7.419 0.454 1
1 468 . 20 1 1 A 40 40 THR HA H 40 3.769 3.861 -0.092 1
1 473 . 20 1 1 A 40 40 THR C C 40 173.906 175.260 -1.354 1
1 474 . 20 1 1 A 40 40 THR CA C 40 61.739 62.797 -1.058 1
1 475 . 20 1 1 A 40 40 THR CB C 40 68.427 69.352 -0.925 1
1 477 . 20 1 1 A 40 40 THR N N 40 108.945 108.654 0.291 1
1 478 . 20 1 1 A 41 41 GLY H H 41 7.199 7.448 -0.249 1
1 479 . 20 1 1 A 41 41 GLY HA2 H 41 3.899 3.888 0.011 1
1 480 . 20 1 1 A 41 41 GLY HA3 H 41 3.662 3.904 -0.242 1
1 481 . 20 1 1 A 41 41 GLY C C 41 171.661 174.776 -3.115 1
1 482 . 20 1 1 A 41 41 GLY CA C 41 44.926 46.565 -1.639 1
1 483 . 20 1 1 A 41 41 GLY N N 41 106.430 111.788 -5.358 1
1 484 . 20 1 1 A 42 42 PHE H H 42 7.876 7.932 -0.056 1
1 485 . 20 1 1 A 42 42 PHE HA H 42 4.682 4.735 -0.053 1
1 493 . 20 1 1 A 42 42 PHE C C 42 171.499 174.765 -3.266 1
1 494 . 20 1 1 A 42 42 PHE CA C 42 57.793 59.011 -1.218 1
1 495 . 20 1 1 A 42 42 PHE CB C 42 39.422 39.898 -0.476 1
1 501 . 20 1 1 A 42 42 PHE N N 42 122.221 120.444 1.777 1
1 502 . 20 1 1 A 43 43 THR H H 43 8.418 8.402 0.016 1
1 503 . 20 1 1 A 43 43 THR HA H 43 3.665 4.241 -0.576 1
1 508 . 20 1 1 A 43 43 THR C C 43 168.767 173.126 -4.359 1
1 509 . 20 1 1 A 43 43 THR CA C 43 59.002 60.537 -1.535 1
1 510 . 20 1 1 A 43 43 THR CB C 43 70.919 72.223 -1.304 1
1 512 . 20 1 1 A 43 43 THR N N 43 123.470 121.264 2.206 1
1 513 . 20 1 1 A 44 44 LYS H H 44 7.999 7.999 0.000 1
1 514 . 20 1 1 A 44 44 LYS HA H 44 3.924 4.578 -0.654 1
1 523 . 20 1 1 A 44 44 LYS CA C 44 54.785 54.776 0.009 1
1 524 . 20 1 1 A 44 44 LYS CB C 44 31.047 31.366 -0.319 1
1 528 . 20 1 1 A 44 44 LYS N N 44 124.728 125.643 -0.915 1
1 529 . 20 1 1 A 45 45 PRO HA H 45 4.581 4.541 0.040 1
1 536 . 20 1 1 A 45 45 PRO C C 45 172.770 177.023 -4.253 1
1 537 . 20 1 1 A 45 45 PRO CA C 45 60.970 62.535 -1.565 1
1 538 . 20 1 1 A 45 45 PRO CB C 45 33.754 32.448 1.306 1
1 541 . 20 1 1 A 46 46 ALA H H 46 8.715 8.532 0.183 1
1 542 . 20 1 1 A 46 46 ALA HA H 46 4.674 4.835 -0.161 1
1 546 . 20 1 1 A 46 46 ALA C C 46 175.827 178.725 -2.898 1
1 547 . 20 1 1 A 46 46 ALA CA C 46 50.851 52.706 -1.855 1
1 548 . 20 1 1 A 46 46 ALA CB C 46 20.458 19.296 1.162 1
1 549 . 20 1 1 A 46 46 ALA N N 46 123.249 125.048 -1.799 1
1 550 . 20 1 1 A 47 47 SER H H 47 8.518 8.396 0.122 1
1 551 . 20 1 1 A 47 47 SER HA H 47 4.202 4.452 -0.250 1
1 554 . 20 1 1 A 47 47 SER C C 47 171.769 174.630 -2.861 1
1 555 . 20 1 1 A 47 47 SER CA C 47 58.740 60.397 -1.657 1
1 556 . 20 1 1 A 47 47 SER CB C 47 62.419 64.150 -1.731 1
1 557 . 20 1 1 A 47 47 SER N N 47 117.696 117.820 -0.124 1
1 558 . 20 1 1 A 48 48 ARG H H 48 7.276 7.687 -0.411 1
1 559 . 20 1 1 A 48 48 ARG HA H 48 4.466 4.719 -0.253 1
1 566 . 20 1 1 A 48 48 ARG C C 48 170.417 173.730 -3.313 1
1 567 . 20 1 1 A 48 48 ARG CA C 48 54.164 54.936 -0.772 1
1 568 . 20 1 1 A 48 48 ARG CB C 48 29.775 32.859 -3.084 1
1 571 . 20 1 1 A 48 48 ARG N N 48 115.830 116.544 -0.714 1
1 572 . 20 1 1 A 49 49 GLU H H 49 8.681 8.666 0.015 1
1 573 . 20 1 1 A 49 49 GLU HA H 49 5.373 5.227 0.146 1
1 578 . 20 1 1 A 49 49 GLU C C 49 172.716 175.383 -2.667 1
1 579 . 20 1 1 A 49 49 GLU CA C 49 53.744 55.013 -1.269 1
1 580 . 20 1 1 A 49 49 GLU CB C 49 32.057 32.025 0.032 1
1 582 . 20 1 1 A 49 49 GLU N N 49 119.800 119.892 -0.092 1
1 583 . 20 1 1 A 50 50 LEU H H 50 8.720 9.268 -0.548 1
1 584 . 20 1 1 A 50 50 LEU HA H 50 4.821 4.951 -0.130 1
1 594 . 20 1 1 A 50 50 LEU C C 50 171.932 176.245 -4.313 1
1 595 . 20 1 1 A 50 50 LEU CA C 50 52.447 53.795 -1.348 1
1 596 . 20 1 1 A 50 50 LEU CB C 50 44.748 43.779 0.969 1
1 600 . 20 1 1 A 50 50 LEU N N 50 124.747 126.807 -2.060 1
1 601 . 20 1 1 A 51 51 SER H H 51 9.560 8.805 0.755 1
1 602 . 20 1 1 A 51 51 SER HA H 51 4.881 5.296 -0.415 1
1 605 . 20 1 1 A 51 51 SER C C 51 171.769 174.283 -2.514 1
1 606 . 20 1 1 A 51 51 SER CA C 51 55.707 56.551 -0.844 1
1 607 . 20 1 1 A 51 51 SER CB C 51 64.701 64.355 0.346 1
1 608 . 20 1 1 A 51 51 SER N N 51 119.156 118.805 0.351 1
1 609 . 20 1 1 A 52 52 VAL H H 52 8.416 8.823 -0.407 1
1 610 . 20 1 1 A 52 52 VAL HA H 52 5.196 4.375 0.821 1
1 618 . 20 1 1 A 52 52 VAL CA C 52 59.207 62.538 -3.331 1
1 619 . 20 1 1 A 52 52 VAL CB C 52 33.156 32.301 0.855 1
1 622 . 20 1 1 A 52 52 VAL N N 52 121.797 125.205 -3.408 1
1 623 . 20 1 1 A 53 53 THR H H 53 8.383 8.637 -0.254 1
1 624 . 20 1 1 A 53 53 THR HA H 53 4.358 4.747 -0.389 1
1 629 . 20 1 1 A 53 53 THR C C 53 169.741 172.193 -2.452 1
1 630 . 20 1 1 A 53 53 THR CA C 53 58.375 60.279 -1.904 1
1 631 . 20 1 1 A 53 53 THR CB C 53 70.707 71.740 -1.033 1
1 633 . 20 1 1 A 53 53 THR N N 53 117.287 114.662 2.625 1
1 634 . 20 1 1 A 54 54 PHE H H 54 8.737 8.878 -0.141 1
1 635 . 20 1 1 A 54 54 PHE HA H 54 4.536 4.946 -0.410 1
1 643 . 20 1 1 A 54 54 PHE C C 54 172.986 175.407 -2.421 1
1 644 . 20 1 1 A 54 54 PHE CA C 54 57.064 56.184 0.880 1
1 645 . 20 1 1 A 54 54 PHE CB C 54 38.755 40.060 -1.305 1
1 651 . 20 1 1 A 54 54 PHE N N 54 118.180 122.277 -4.097 1
1 652 . 20 1 1 A 55 55 PHE H H 55 9.167 8.867 0.300 1
1 653 . 20 1 1 A 55 55 PHE HA H 55 3.715 4.545 -0.830 1
1 660 . 20 1 1 A 55 55 PHE CA C 55 57.908 56.973 0.935 1
1 661 . 20 1 1 A 55 55 PHE CB C 55 39.594 38.820 0.774 1
1 666 . 20 1 1 A 55 55 PHE N N 55 128.290 123.835 4.455 1
1 667 . 20 1 1 A 56 56 PRO HA H 56 2.356 4.440 -2.084 1
1 674 . 20 1 1 A 56 56 PRO C C 56 171.012 174.907 -3.895 1
1 675 . 20 1 1 A 56 56 PRO CA C 56 62.611 62.204 0.407 1
1 676 . 20 1 1 A 56 56 PRO CB C 56 32.522 30.403 2.119 1
1 679 . 20 1 1 A 57 57 ASP H H 57 9.009 8.444 0.565 1
1 680 . 20 1 1 A 57 57 ASP HA H 57 4.289 4.873 -0.584 1
1 683 . 20 1 1 A 57 57 ASP C C 57 173.257 174.121 -0.864 1
1 684 . 20 1 1 A 57 57 ASP CA C 57 53.752 53.450 0.302 1
1 685 . 20 1 1 A 57 57 ASP CB C 57 40.067 44.567 -4.500 1
1 686 . 20 1 1 A 57 57 ASP N N 57 127.876 122.492 5.384 1
1 687 . 20 1 1 A 58 58 LEU H H 58 8.368 8.404 -0.036 1
1 688 . 20 1 1 A 58 58 LEU HA H 58 4.229 4.644 -0.415 1
1 698 . 20 1 1 A 58 58 LEU C C 58 174.285 177.313 -3.028 1
1 699 . 20 1 1 A 58 58 LEU CA C 58 52.468 53.627 -1.159 1
1 700 . 20 1 1 A 58 58 LEU CB C 58 40.258 41.901 -1.643 1
1 704 . 20 1 1 A 58 58 LEU N N 58 128.010 121.855 6.155 1
1 705 . 20 1 1 A 59 59 ASN H H 59 8.430 8.435 -0.005 1
1 706 . 20 1 1 A 59 59 ASN HA H 59 4.198 4.502 -0.304 1
1 711 . 20 1 1 A 59 59 ASN C C 59 173.636 176.367 -2.731 1
1 712 . 20 1 1 A 59 59 ASN CA C 59 54.945 55.304 -0.359 1
1 713 . 20 1 1 A 59 59 ASN CB C 59 38.175 38.776 -0.601 1
1 714 . 20 1 1 A 59 59 ASN N N 59 116.745 118.177 -1.432 1
1 716 . 20 1 1 A 60 60 GLY H H 60 8.083 7.468 0.615 1
1 717 . 20 1 1 A 60 60 GLY HA2 H 60 3.766 4.015 -0.249 1
1 718 . 20 1 1 A 60 60 GLY HA3 H 60 3.326 4.028 -0.702 1
1 719 . 20 1 1 A 60 60 GLY C C 60 169.876 174.667 -4.791 1
1 720 . 20 1 1 A 60 60 GLY CA C 60 44.285 44.612 -0.327 1
1 721 . 20 1 1 A 60 60 GLY N N 60 110.045 108.192 1.853 1
1 722 . 20 1 1 A 61 61 ASP H H 61 8.084 8.775 -0.691 1
1 723 . 20 1 1 A 61 61 ASP HA H 61 4.200 4.467 -0.267 1
1 726 . 20 1 1 A 61 61 ASP C C 61 172.283 175.751 -3.468 1
1 727 . 20 1 1 A 61 61 ASP CA C 61 56.865 55.782 1.083 1
1 728 . 20 1 1 A 61 61 ASP CB C 61 42.113 41.513 0.600 1
1 729 . 20 1 1 A 61 61 ASP N N 61 121.395 119.616 1.779 1
1 730 . 20 1 1 A 62 62 VAL H H 62 8.387 7.640 0.747 1
1 731 . 20 1 1 A 62 62 VAL HA H 62 4.096 4.772 -0.676 1
1 739 . 20 1 1 A 62 62 VAL C C 62 171.255 174.346 -3.091 1
1 740 . 20 1 1 A 62 62 VAL CA C 62 58.914 60.359 -1.445 1
1 741 . 20 1 1 A 62 62 VAL CB C 62 34.433 36.214 -1.781 1
1 744 . 20 1 1 A 62 62 VAL N N 62 117.701 116.820 0.881 1
1 745 . 20 1 1 A 63 63 VAL H H 63 8.251 8.209 0.042 1
1 746 . 20 1 1 A 63 63 VAL HA H 63 4.637 4.994 -0.357 1
1 754 . 20 1 1 A 63 63 VAL C C 63 171.282 174.761 -3.479 1
1 755 . 20 1 1 A 63 63 VAL CA C 63 59.233 60.154 -0.921 1
1 756 . 20 1 1 A 63 63 VAL CB C 63 33.531 35.519 -1.988 1
1 759 . 20 1 1 A 63 63 VAL N N 63 125.341 125.197 0.144 1
1 760 . 20 1 1 A 64 64 ALA H H 64 9.316 9.170 0.146 1
1 761 . 20 1 1 A 64 64 ALA HA H 64 5.036 5.427 -0.391 1
1 765 . 20 1 1 A 64 64 ALA C C 64 173.825 175.866 -2.041 1
1 766 . 20 1 1 A 64 64 ALA CA C 64 49.059 50.145 -1.086 1
1 767 . 20 1 1 A 64 64 ALA CB C 64 20.323 23.311 -2.988 1
1 768 . 20 1 1 A 64 64 ALA N N 64 128.526 127.392 1.134 1
1 769 . 20 1 1 A 65 65 ILE H H 65 9.451 9.239 0.212 1
1 770 . 20 1 1 A 65 65 ILE HA H 65 4.475 4.936 -0.461 1
1 780 . 20 1 1 A 65 65 ILE C C 65 172.121 175.057 -2.936 1
1 781 . 20 1 1 A 65 65 ILE CA C 65 56.490 59.747 -3.257 1
1 782 . 20 1 1 A 65 65 ILE CB C 65 37.474 41.438 -3.964 1
1 786 . 20 1 1 A 65 65 ILE N N 65 126.677 120.373 6.304 1
1 787 . 20 1 1 A 66 66 ASP H H 66 9.165 8.775 0.390 1
1 788 . 20 1 1 A 66 66 ASP HA H 66 4.045 4.696 -0.651 1
1 791 . 20 1 1 A 66 66 ASP C C 66 174.663 176.365 -1.702 1
1 792 . 20 1 1 A 66 66 ASP CA C 66 54.199 53.808 0.391 1
1 793 . 20 1 1 A 66 66 ASP CB C 66 42.211 41.580 0.631 1
1 794 . 20 1 1 A 66 66 ASP N N 66 128.723 124.616 4.107 1
1 795 . 20 1 1 A 67 67 TYR H H 67 8.919 9.130 -0.211 1
1 796 . 20 1 1 A 67 67 TYR HA H 67 4.344 3.901 0.443 1
1 801 . 20 1 1 A 67 67 TYR C C 67 173.257 177.015 -3.758 1
1 802 . 20 1 1 A 67 67 TYR CA C 67 59.614 60.874 -1.260 1
1 803 . 20 1 1 A 67 67 TYR CB C 67 39.338 39.008 0.330 1
1 806 . 20 1 1 A 67 67 TYR N N 67 127.739 121.331 6.408 1
1 807 . 20 1 1 A 68 68 ARG H H 68 9.459 8.382 1.077 1
1 808 . 20 1 1 A 68 68 ARG HA H 68 3.923 4.056 -0.133 1
1 815 . 20 1 1 A 68 68 ARG C C 68 174.150 177.072 -2.922 1
1 816 . 20 1 1 A 68 68 ARG CA C 68 57.691 58.453 -0.762 1
1 817 . 20 1 1 A 68 68 ARG CB C 68 27.945 29.587 -1.642 1
1 820 . 20 1 1 A 68 68 ARG N N 68 121.666 118.049 3.617 1
1 821 . 20 1 1 A 69 69 HIS H H 69 8.146 7.801 0.345 1
1 822 . 20 1 1 A 69 69 HIS HA H 69 4.538 4.365 0.173 1
1 826 . 20 1 1 A 69 69 HIS C C 69 171.391 174.496 -3.105 1
1 827 . 20 1 1 A 69 69 HIS CA C 69 55.405 56.499 -1.094 1
1 828 . 20 1 1 A 69 69 HIS CB C 69 29.458 29.525 -0.067 1
1 830 . 20 1 1 A 69 69 HIS N N 69 117.372 116.663 0.709 1
1 831 . 20 1 1 A 70 70 TYR H H 70 7.468 7.139 0.329 1
1 832 . 20 1 1 A 70 70 TYR HA H 70 3.431 3.883 -0.452 1
1 839 . 20 1 1 A 70 70 TYR C C 70 171.904 175.189 -3.285 1
1 840 . 20 1 1 A 70 70 TYR CA C 70 60.020 55.592 4.428 1
1 841 . 20 1 1 A 70 70 TYR CB C 70 37.554 36.394 1.160 1
1 846 . 20 1 1 A 70 70 TYR N N 70 121.636 122.166 -0.530 1
1 847 . 20 1 1 A 71 71 SER H H 71 5.657 8.857 -3.200 1
1 848 . 20 1 1 A 71 71 SER HA H 71 3.958 4.507 -0.549 1
1 851 . 20 1 1 A 71 71 SER C C 71 170.390 173.432 -3.042 1
1 852 . 20 1 1 A 71 71 SER CA C 71 55.267 57.688 -2.421 1
1 853 . 20 1 1 A 71 71 SER CB C 71 64.410 63.230 1.180 1
1 854 . 20 1 1 A 71 71 SER N N 71 120.240 123.630 -3.390 1
1 855 . 20 1 1 A 72 72 ALA H H 72 8.461 7.805 0.656 1
1 856 . 20 1 1 A 72 72 ALA HA H 72 3.757 4.029 -0.272 1
1 860 . 20 1 1 A 72 72 ALA CA C 72 54.250 54.245 0.005 1
1 861 . 20 1 1 A 72 72 ALA CB C 72 17.423 16.694 0.729 1
1 862 . 20 1 1 A 72 72 ALA N N 72 123.497 121.137 2.360 1
1 863 . 20 1 1 A 73 73 SER HA H 73 3.904 3.945 -0.041 1
1 866 . 20 1 1 A 73 73 SER C C 73 172.500 175.244 -2.744 1
1 867 . 20 1 1 A 73 73 SER CA C 73 59.873 62.038 -2.165 1
1 868 . 20 1 1 A 73 73 SER CB C 73 61.769 62.980 -1.211 1
1 869 . 20 1 1 A 74 74 PHE H H 74 7.508 7.849 -0.341 1
1 870 . 20 1 1 A 74 74 PHE HA H 74 5.163 4.681 0.482 1
1 877 . 20 1 1 A 74 74 PHE C C 74 173.987 176.766 -2.779 1
1 878 . 20 1 1 A 74 74 PHE CA C 74 53.320 58.495 -5.175 1
1 879 . 20 1 1 A 74 74 PHE CB C 74 37.854 38.593 -0.739 1
1 884 . 20 1 1 A 74 74 PHE N N 74 118.853 117.528 1.325 1
1 885 . 20 1 1 A 75 75 LYS H H 75 7.245 8.232 -0.987 1
1 886 . 20 1 1 A 75 75 LYS HA H 75 4.200 4.098 0.102 1
1 895 . 20 1 1 A 75 75 LYS C C 75 173.717 176.868 -3.151 1
1 896 . 20 1 1 A 75 75 LYS CA C 75 59.003 58.875 0.128 1
1 897 . 20 1 1 A 75 75 LYS CB C 75 31.846 32.243 -0.397 1
1 901 . 20 1 1 A 75 75 LYS N N 75 121.129 119.103 2.026 1
1 902 . 20 1 1 A 76 76 LYS H H 76 7.841 7.463 0.378 1
1 903 . 20 1 1 A 76 76 LYS HA H 76 3.738 2.271 1.467 1
1 912 . 20 1 1 A 76 76 LYS C C 76 170.200 176.034 -5.834 1
1 913 . 20 1 1 A 76 76 LYS CA C 76 55.114 54.867 0.247 1
1 914 . 20 1 1 A 76 76 LYS CB C 76 32.393 31.664 0.729 1
1 918 . 20 1 1 A 76 76 LYS N N 76 114.423 117.076 -2.653 1
1 919 . 20 1 1 A 77 77 GLY H H 77 7.239 7.633 -0.394 1
1 920 . 20 1 1 A 77 77 GLY HA2 H 77 3.737 3.989 -0.252 1
1 921 . 20 1 1 A 77 77 GLY HA3 H 77 4.771 4.020 0.751 1
1 922 . 20 1 1 A 77 77 GLY C C 77 170.795 172.410 -1.615 1
1 923 . 20 1 1 A 77 77 GLY CA C 77 43.770 44.428 -0.658 1
1 924 . 20 1 1 A 77 77 GLY N N 77 103.318 106.592 -3.274 1
1 925 . 20 1 1 A 78 78 ALA H H 78 6.868 8.144 -1.276 1
1 926 . 20 1 1 A 78 78 ALA HA H 78 4.982 5.045 -0.063 1
1 930 . 20 1 1 A 78 78 ALA C C 78 171.904 175.599 -3.695 1
1 931 . 20 1 1 A 78 78 ALA CA C 78 49.907 51.399 -1.492 1
1 932 . 20 1 1 A 78 78 ALA CB C 78 22.601 23.404 -0.803 1
1 933 . 20 1 1 A 78 78 ALA N N 78 117.057 120.411 -3.354 1
1 934 . 20 1 1 A 79 79 LYS H H 79 8.765 8.935 -0.170 1
1 935 . 20 1 1 A 79 79 LYS HA H 79 4.636 5.054 -0.418 1
1 944 . 20 1 1 A 79 79 LYS C C 79 171.039 174.041 -3.002 1
1 945 . 20 1 1 A 79 79 LYS CA C 79 54.485 54.833 -0.348 1
1 946 . 20 1 1 A 79 79 LYS CB C 79 35.963 36.635 -0.672 1
1 950 . 20 1 1 A 79 79 LYS N N 79 117.018 115.933 1.085 1
1 951 . 20 1 1 A 80 80 LEU H H 80 8.782 8.966 -0.184 1
1 952 . 20 1 1 A 80 80 LEU HA H 80 4.459 4.781 -0.322 1
1 962 . 20 1 1 A 80 80 LEU C C 80 173.095 177.443 -4.348 1
1 963 . 20 1 1 A 80 80 LEU CA C 80 52.743 52.599 0.144 1
1 964 . 20 1 1 A 80 80 LEU CB C 80 42.494 44.814 -2.320 1
1 968 . 20 1 1 A 80 80 LEU N N 80 122.496 121.721 0.775 1
1 969 . 20 1 1 A 81 81 LEU H H 81 8.636 8.632 0.004 1
1 970 . 20 1 1 A 81 81 LEU HA H 81 3.578 4.038 -0.460 1
1 980 . 20 1 1 A 81 81 LEU CA C 81 57.316 58.777 -1.461 1
1 981 . 20 1 1 A 81 81 LEU CB C 81 39.032 42.251 -3.219 1
1 985 . 20 1 1 A 81 81 LEU N N 81 125.060 125.872 -0.812 1
1 986 . 20 1 1 A 82 82 HIS H H 82 8.379 7.626 0.753 1
1 987 . 20 1 1 A 82 82 HIS HA H 82 4.551 4.832 -0.281 1
1 992 . 20 1 1 A 82 82 HIS C C 82 172.635 174.009 -1.374 1
1 993 . 20 1 1 A 82 82 HIS CA C 82 55.432 55.106 0.326 1
1 994 . 20 1 1 A 82 82 HIS CB C 82 29.646 31.690 -2.044 1
1 997 . 20 1 1 A 82 82 HIS N N 82 114.387 111.693 2.694 1
1 998 . 20 1 1 A 83 83 LYS H H 83 8.023 7.537 0.486 1
1 999 . 20 1 1 A 83 83 LYS HA H 83 4.670 4.504 0.166 1
1 1008 . 20 1 1 A 83 83 LYS CA C 83 52.041 53.014 -0.973 1
1 1009 . 20 1 1 A 83 83 LYS CB C 83 32.741 33.636 -0.895 1
1 1013 . 20 1 1 A 83 83 LYS N N 83 122.886 119.703 3.183 1
1 1014 . 20 1 1 A 84 84 PRO HA H 84 4.585 4.655 -0.070 1
1 1021 . 20 1 1 A 84 84 PRO C C 84 172.797 176.011 -3.214 1
1 1022 . 20 1 1 A 84 84 PRO CA C 84 62.050 62.345 -0.295 1
1 1023 . 20 1 1 A 84 84 PRO CB C 84 32.770 32.879 -0.109 1
1 1026 . 20 1 1 A 85 85 ILE H H 85 6.185 8.166 -1.981 1
1 1027 . 20 1 1 A 85 85 ILE HA H 85 5.743 5.387 0.356 1
1 1037 . 20 1 1 A 85 85 ILE C C 85 174.366 174.203 0.163 1
1 1038 . 20 1 1 A 85 85 ILE CA C 85 57.032 58.458 -1.426 1
1 1039 . 20 1 1 A 85 85 ILE CB C 85 41.265 42.123 -0.858 1
1 1043 . 20 1 1 A 85 85 ILE N N 85 107.777 115.555 -7.778 1
1 1044 . 20 1 1 A 86 86 VAL H H 86 7.552 8.474 -0.922 1
1 1045 . 20 1 1 A 86 86 VAL HA H 86 4.278 4.646 -0.368 1
1 1053 . 20 1 1 A 86 86 VAL CA C 86 59.345 58.886 0.459 1
1 1054 . 20 1 1 A 86 86 VAL CB C 86 34.990 36.123 -1.133 1
1 1057 . 20 1 1 A 86 86 VAL N N 86 109.584 117.763 -8.179 1
1 1058 . 20 1 1 A 87 87 TRP H H 87 10.036 8.452 1.584 1
1 1059 . 20 1 1 A 87 87 TRP HA H 87 6.158 5.983 0.175 1
1 1068 . 20 1 1 A 87 87 TRP C C 87 174.393 175.484 -1.091 1
1 1069 . 20 1 1 A 87 87 TRP CA C 87 55.238 54.932 0.306 1
1 1070 . 20 1 1 A 87 87 TRP CB C 87 32.786 32.983 -0.197 1
1 1076 . 20 1 1 A 87 87 TRP N N 87 122.256 120.621 1.635 1
1 1078 . 20 1 1 A 88 88 HIS H H 88 8.802 8.853 -0.051 1
1 1079 . 20 1 1 A 88 88 HIS HA H 88 5.383 5.926 -0.543 1
1 1085 . 20 1 1 A 88 88 HIS CA C 88 53.902 53.661 0.241 1
1 1086 . 20 1 1 A 88 88 HIS CB C 88 37.553 31.827 5.726 1
1 1089 . 20 1 1 A 88 88 HIS N N 88 116.636 119.187 -2.551 1
1 1090 . 20 1 1 A 89 89 ILE H H 89 9.197 8.968 0.229 1
1 1091 . 20 1 1 A 89 89 ILE HA H 89 4.022 4.286 -0.264 1
1 1101 . 20 1 1 A 89 89 ILE C C 89 174.582 175.743 -1.161 1
1 1102 . 20 1 1 A 89 89 ILE CA C 89 61.042 60.028 1.014 1
1 1103 . 20 1 1 A 89 89 ILE CB C 89 40.176 38.015 2.161 1
1 1107 . 20 1 1 A 89 89 ILE N N 89 118.669 124.881 -6.212 1
1 1108 . 20 1 1 A 90 90 ASN H H 90 9.688 9.340 0.348 1
1 1109 . 20 1 1 A 90 90 ASN HA H 90 4.281 4.371 -0.090 1
1 1114 . 20 1 1 A 90 90 ASN C C 90 171.418 174.499 -3.081 1
1 1115 . 20 1 1 A 90 90 ASN CA C 90 53.724 54.653 -0.929 1
1 1116 . 20 1 1 A 90 90 ASN CB C 90 36.919 37.017 -0.098 1
1 1117 . 20 1 1 A 90 90 ASN N N 90 128.710 127.102 1.608 1
1 1119 . 20 1 1 A 91 91 GLN H H 91 10.928 8.348 2.580 1
1 1120 . 20 1 1 A 91 91 GLN HA H 91 2.586 3.755 -1.169 1
1 1127 . 20 1 1 A 91 91 GLN C C 91 170.146 174.467 -4.321 1
1 1128 . 20 1 1 A 91 91 GLN CA C 91 55.444 57.341 -1.897 1
1 1129 . 20 1 1 A 91 91 GLN CB C 91 23.948 27.200 -3.252 1
1 1131 . 20 1 1 A 91 91 GLN N N 91 112.871 108.916 3.955 1
1 1133 . 20 1 1 A 92 92 ALA H H 92 7.692 7.859 -0.167 1
1 1134 . 20 1 1 A 92 92 ALA HA H 92 4.979 5.364 -0.385 1
1 1138 . 20 1 1 A 92 92 ALA C C 92 174.068 175.807 -1.739 1
1 1139 . 20 1 1 A 92 92 ALA CA C 92 49.792 51.139 -1.347 1
1 1140 . 20 1 1 A 92 92 ALA CB C 92 21.832 22.997 -1.165 1
1 1141 . 20 1 1 A 92 92 ALA N N 92 118.287 120.562 -2.275 1
1 1142 . 20 1 1 A 93 93 THR H H 93 9.026 8.863 0.163 1
1 1143 . 20 1 1 A 93 93 THR HA H 93 5.281 5.304 -0.023 1
1 1148 . 20 1 1 A 93 93 THR C C 93 170.768 172.520 -1.752 1
1 1149 . 20 1 1 A 93 93 THR CA C 93 58.597 60.159 -1.562 1
1 1150 . 20 1 1 A 93 93 THR CB C 93 70.855 71.583 -0.728 1
1 1152 . 20 1 1 A 93 93 THR N N 93 114.894 113.241 1.653 1
1 1153 . 20 1 1 A 94 94 THR H H 94 8.292 8.611 -0.319 1
1 1154 . 20 1 1 A 94 94 THR HA H 94 4.903 4.949 -0.046 1
1 1159 . 20 1 1 A 94 94 THR CA C 94 58.800 59.419 -0.619 1
1 1160 . 20 1 1 A 94 94 THR CB C 94 71.488 72.326 -0.838 1
1 1162 . 20 1 1 A 94 94 THR N N 94 119.907 119.679 0.228 1
1 1163 . 20 1 1 A 95 95 LYS HA H 95 4.056 3.993 0.063 1
1 1172 . 20 1 1 A 95 95 LYS CA C 95 59.376 58.893 0.483 1
1 1173 . 20 1 1 A 95 95 LYS CB C 95 31.083 31.934 -0.851 1
1 1177 . 20 1 1 A 96 96 THR H H 96 7.773 7.277 0.496 1
1 1178 . 20 1 1 A 96 96 THR HA H 96 3.798 4.342 -0.544 1
1 1183 . 20 1 1 A 96 96 THR C C 96 171.850 175.908 -4.058 1
1 1184 . 20 1 1 A 96 96 THR CA C 96 64.506 64.308 0.198 1
1 1185 . 20 1 1 A 96 96 THR CB C 96 68.405 69.099 -0.694 1
1 1187 . 20 1 1 A 96 96 THR N N 96 113.841 115.203 -1.362 1
1 1188 . 20 1 1 A 97 97 THR H H 97 6.795 7.820 -1.025 1
1 1189 . 20 1 1 A 97 97 THR HA H 97 3.604 4.812 -1.208 1
1 1194 . 20 1 1 A 97 97 THR C C 97 171.959 176.147 -4.188 1
1 1195 . 20 1 1 A 97 97 THR CA C 97 61.209 61.796 -0.587 1
1 1196 . 20 1 1 A 97 97 THR CB C 97 67.962 70.576 -2.614 1
1 1198 . 20 1 1 A 97 97 THR N N 97 105.731 109.642 -3.911 1
1 1199 . 20 1 1 A 98 98 PHE H H 98 7.410 8.196 -0.786 1
1 1200 . 20 1 1 A 98 98 PHE HA H 98 4.220 4.132 0.088 1
1 1207 . 20 1 1 A 98 98 PHE C C 98 174.528 177.638 -3.110 1
1 1208 . 20 1 1 A 98 98 PHE CA C 98 61.879 61.606 0.273 1
1 1209 . 20 1 1 A 98 98 PHE CB C 98 38.875 39.177 -0.302 1
1 1214 . 20 1 1 A 98 98 PHE N N 98 126.402 123.469 2.933 1
1 1215 . 20 1 1 A 99 99 LYS H H 99 9.459 8.597 0.862 1
1 1216 . 20 1 1 A 99 99 LYS HA H 99 4.089 4.123 -0.034 1
1 1225 . 20 1 1 A 99 99 LYS CA C 99 60.763 61.666 -0.903 1
1 1226 . 20 1 1 A 99 99 LYS CB C 99 28.635 31.337 -2.702 1
1 1230 . 20 1 1 A 99 99 LYS N N 99 121.490 117.834 3.656 1
1 1231 . 20 1 1 A 100 100 PRO HA H 100 4.922 4.567 0.355 1
1 1238 . 20 1 1 A 100 100 PRO C C 100 177.314 179.219 -1.905 1
1 1239 . 20 1 1 A 100 100 PRO CA C 100 66.173 65.424 0.749 1
1 1240 . 20 1 1 A 100 100 PRO CB C 100 31.535 30.897 0.638 1
1 1243 . 20 1 1 A 101 101 ASN H H 101 8.530 8.241 0.289 1
1 1244 . 20 1 1 A 101 101 ASN HA H 101 5.244 4.465 0.779 1
1 1249 . 20 1 1 A 101 101 ASN C C 101 175.204 177.783 -2.579 1
1 1250 . 20 1 1 A 101 101 ASN CA C 101 54.555 56.063 -1.508 1
1 1251 . 20 1 1 A 101 101 ASN CB C 101 36.187 37.887 -1.700 1
1 1252 . 20 1 1 A 101 101 ASN N N 101 115.238 115.874 -0.636 1
1 1254 . 20 1 1 A 102 102 THR H H 102 8.488 7.862 0.626 1
1 1255 . 20 1 1 A 102 102 THR HA H 102 4.184 3.891 0.293 1
1 1260 . 20 1 1 A 102 102 THR C C 102 171.472 176.801 -5.329 1
1 1261 . 20 1 1 A 102 102 THR CA C 102 67.543 65.449 2.094 1
1 1262 . 20 1 1 A 102 102 THR CB C 102 67.001 68.015 -1.014 1
1 1264 . 20 1 1 A 102 102 THR N N 102 120.254 111.535 8.719 1
1 1265 . 20 1 1 A 103 103 TRP H H 103 7.283 7.453 -0.170 1
1 1266 . 20 1 1 A 103 103 TRP HA H 103 3.986 4.171 -0.185 1
1 1275 . 20 1 1 A 103 103 TRP C C 103 175.800 178.139 -2.339 1
1 1276 . 20 1 1 A 103 103 TRP CA C 103 60.856 60.072 0.784 1
1 1277 . 20 1 1 A 103 103 TRP CB C 103 27.948 28.481 -0.533 1
1 1283 . 20 1 1 A 103 103 TRP N N 103 121.763 121.616 0.147 1
1 1285 . 20 1 1 A 104 104 CYS H H 104 8.233 7.850 0.383 1
1 1286 . 20 1 1 A 104 104 CYS HA H 104 4.272 4.148 0.124 1
1 1289 . 20 1 1 A 104 104 CYS C C 104 176.259 176.879 -0.620 1
1 1290 . 20 1 1 A 104 104 CYS CA C 104 65.226 62.202 3.024 1
1 1291 . 20 1 1 A 104 104 CYS CB C 104 26.949 26.901 0.048 1
1 1292 . 20 1 1 A 104 104 CYS N N 104 118.046 118.996 -0.950 1
1 1293 . 20 1 1 A 105 105 LEU H H 105 8.726 8.092 0.634 1
1 1294 . 20 1 1 A 105 105 LEU HA H 105 4.000 3.935 0.065 1
1 1304 . 20 1 1 A 105 105 LEU C C 105 176.205 178.761 -2.556 1
1 1305 . 20 1 1 A 105 105 LEU CA C 105 57.810 58.077 -0.267 1
1 1306 . 20 1 1 A 105 105 LEU CB C 105 40.484 41.422 -0.938 1
1 1310 . 20 1 1 A 105 105 LEU N N 105 120.557 120.934 -0.377 1
1 1311 . 20 1 1 A 106 106 ARG H H 106 6.990 7.873 -0.883 1
1 1312 . 20 1 1 A 106 106 ARG HA H 106 2.054 2.726 -0.672 1
1 1319 . 20 1 1 A 106 106 ARG C C 106 177.179 177.395 -0.216 1
1 1320 . 20 1 1 A 106 106 ARG CA C 106 57.405 57.899 -0.494 1
1 1321 . 20 1 1 A 106 106 ARG CB C 106 29.269 29.424 -0.155 1
1 1324 . 20 1 1 A 106 106 ARG N N 106 118.050 117.796 0.254 1
1 1325 . 20 1 1 A 107 107 CYS H H 107 7.623 7.997 -0.374 1
1 1326 . 20 1 1 A 107 107 CYS HA H 107 4.031 4.381 -0.350 1
1 1329 . 20 1 1 A 107 107 CYS C C 107 172.337 176.759 -4.422 1
1 1330 . 20 1 1 A 107 107 CYS CA C 107 63.291 62.839 0.452 1
1 1331 . 20 1 1 A 107 107 CYS CB C 107 26.214 27.629 -1.415 1
1 1332 . 20 1 1 A 107 107 CYS N N 107 117.028 118.183 -1.155 1
1 1333 . 20 1 1 A 108 108 LEU H H 108 7.484 7.542 -0.058 1
1 1334 . 20 1 1 A 108 108 LEU HA H 108 4.159 4.130 0.029 1
1 1344 . 20 1 1 A 108 108 LEU C C 108 174.582 177.343 -2.761 1
1 1345 . 20 1 1 A 108 108 LEU CA C 108 54.203 56.378 -2.175 1
1 1346 . 20 1 1 A 108 108 LEU CB C 108 41.621 42.115 -0.494 1
1 1350 . 20 1 1 A 108 108 LEU N N 108 117.680 118.160 -0.480 1
1 1351 . 20 1 1 A 109 109 TRP H H 109 7.427 7.601 -0.174 1
1 1352 . 20 1 1 A 109 109 TRP HA H 109 4.828 5.040 -0.212 1
1 1361 . 20 1 1 A 109 109 TRP C C 109 173.176 176.026 -2.850 1
1 1362 . 20 1 1 A 109 109 TRP CA C 109 56.353 58.041 -1.688 1
1 1363 . 20 1 1 A 109 109 TRP CB C 109 29.743 30.261 -0.518 1
1 1369 . 20 1 1 A 109 109 TRP N N 109 119.087 120.718 -1.631 1
1 1371 . 20 1 1 A 110 110 SER H H 110 8.199 8.859 -0.660 1
1 1372 . 20 1 1 A 110 110 SER HA H 110 4.688 5.248 -0.560 1
1 1375 . 20 1 1 A 110 110 SER C C 110 171.769 173.258 -1.489 1
1 1376 . 20 1 1 A 110 110 SER CA C 110 56.324 56.445 -0.121 1
1 1377 . 20 1 1 A 110 110 SER CB C 110 64.513 65.863 -1.350 1
1 1378 . 20 1 1 A 110 110 SER N N 110 115.602 116.144 -0.542 1
1 1379 . 20 1 1 A 111 111 THR H H 111 8.268 8.578 -0.310 1
1 1380 . 20 1 1 A 111 111 THR HA H 111 4.425 4.598 -0.173 1
1 1385 . 20 1 1 A 111 111 THR C C 111 171.526 173.736 -2.210 1
1 1386 . 20 1 1 A 111 111 THR CA C 111 60.861 61.374 -0.513 1
1 1387 . 20 1 1 A 111 111 THR CB C 111 69.202 68.198 1.004 1
1 1389 . 20 1 1 A 111 111 THR N N 111 114.394 116.645 -2.251 1
1 1390 . 20 1 1 A 112 112 LYS H H 112 8.240 8.251 -0.011 1
1 1391 . 20 1 1 A 112 112 LYS HA H 112 4.530 4.897 -0.367 1
1 1400 . 20 1 1 A 112 112 LYS CA C 112 53.768 52.862 0.906 1
1 1401 . 20 1 1 A 112 112 LYS CB C 112 32.067 33.430 -1.363 1
1 1405 . 20 1 1 A 112 112 LYS N N 112 125.207 127.015 -1.808 1
1 1406 . 20 1 1 A 113 113 PRO HA H 113 4.380 4.786 -0.406 1
1 1413 . 20 1 1 A 113 113 PRO C C 113 174.095 175.763 -1.668 1
1 1414 . 20 1 1 A 113 113 PRO CA C 113 62.381 62.299 0.082 1
1 1415 . 20 1 1 A 113 113 PRO CB C 113 31.408 30.347 1.061 1
1 1418 . 20 1 1 A 114 114 VAL H H 114 8.195 8.100 0.095 1
1 1419 . 20 1 1 A 114 114 VAL HA H 114 4.029 4.304 -0.275 1
1 1427 . 20 1 1 A 114 114 VAL C C 114 173.122 174.060 -0.938 1
1 1428 . 20 1 1 A 114 114 VAL CA C 114 61.335 60.996 0.339 1
1 1429 . 20 1 1 A 114 114 VAL CB C 114 32.153 32.224 -0.071 1
1 1432 . 20 1 1 A 114 114 VAL N N 114 120.113 122.446 -2.333 1
1 1433 . 20 1 1 A 115 115 ASP H H 115 8.345 9.012 -0.667 1
1 1434 . 20 1 1 A 115 115 ASP HA H 115 4.592 4.662 -0.070 1
1 1437 . 20 1 1 A 115 115 ASP C C 115 172.608 174.701 -2.093 1
1 1438 . 20 1 1 A 115 115 ASP CA C 115 53.202 53.074 0.128 1
1 1439 . 20 1 1 A 115 115 ASP CB C 115 40.552 39.168 1.384 1
1 1440 . 20 1 1 A 115 115 ASP N N 115 123.853 128.585 -4.732 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 96 3.169 1
2 1 1 1 "RMS(OBS, PRED)" CA 114 1.394 1
3 1 1 1 "RMS(OBS, PRED)" CB 111 1.579 1
4 1 1 1 "RMS(OBS, PRED)" H 101 0.745 1
5 1 1 1 "RMS(OBS, PRED)" HA 117 0.409 1
6 1 1 1 "RMS(OBS, PRED)" N 102 3.160 1
7 1 2 1 "RMS(OBS, PRED)" C 96 3.214 1
8 1 2 1 "RMS(OBS, PRED)" CA 114 1.519 1
9 1 2 1 "RMS(OBS, PRED)" CB 111 1.596 1
10 1 2 1 "RMS(OBS, PRED)" H 101 0.743 1
11 1 2 1 "RMS(OBS, PRED)" HA 117 0.411 1
12 1 2 1 "RMS(OBS, PRED)" N 102 3.169 1
13 1 3 1 "RMS(OBS, PRED)" C 96 3.186 1
14 1 3 1 "RMS(OBS, PRED)" CA 114 1.468 1
15 1 3 1 "RMS(OBS, PRED)" CB 111 1.617 1
16 1 3 1 "RMS(OBS, PRED)" H 101 0.798 1
17 1 3 1 "RMS(OBS, PRED)" HA 117 0.415 1
18 1 3 1 "RMS(OBS, PRED)" N 102 3.373 1
19 1 4 1 "RMS(OBS, PRED)" C 96 3.157 1
20 1 4 1 "RMS(OBS, PRED)" CA 114 1.518 1
21 1 4 1 "RMS(OBS, PRED)" CB 111 1.677 1
22 1 4 1 "RMS(OBS, PRED)" H 101 0.731 1
23 1 4 1 "RMS(OBS, PRED)" HA 117 0.437 1
24 1 4 1 "RMS(OBS, PRED)" N 102 3.203 1
25 1 5 1 "RMS(OBS, PRED)" C 96 3.177 1
26 1 5 1 "RMS(OBS, PRED)" CA 114 1.493 1
27 1 5 1 "RMS(OBS, PRED)" CB 111 1.537 1
28 1 5 1 "RMS(OBS, PRED)" H 101 0.724 1
29 1 5 1 "RMS(OBS, PRED)" HA 117 0.427 1
30 1 5 1 "RMS(OBS, PRED)" N 102 2.950 1
31 1 6 1 "RMS(OBS, PRED)" C 96 3.110 1
32 1 6 1 "RMS(OBS, PRED)" CA 114 1.471 1
33 1 6 1 "RMS(OBS, PRED)" CB 111 1.529 1
34 1 6 1 "RMS(OBS, PRED)" H 101 0.797 1
35 1 6 1 "RMS(OBS, PRED)" HA 117 0.430 1
36 1 6 1 "RMS(OBS, PRED)" N 102 2.916 1
37 1 7 1 "RMS(OBS, PRED)" C 96 3.175 1
38 1 7 1 "RMS(OBS, PRED)" CA 114 1.491 1
39 1 7 1 "RMS(OBS, PRED)" CB 111 1.714 1
40 1 7 1 "RMS(OBS, PRED)" H 101 0.744 1
41 1 7 1 "RMS(OBS, PRED)" HA 117 0.421 1
42 1 7 1 "RMS(OBS, PRED)" N 102 3.176 1
43 1 8 1 "RMS(OBS, PRED)" C 96 3.179 1
44 1 8 1 "RMS(OBS, PRED)" CA 114 1.558 1
45 1 8 1 "RMS(OBS, PRED)" CB 111 1.637 1
46 1 8 1 "RMS(OBS, PRED)" H 101 0.750 1
47 1 8 1 "RMS(OBS, PRED)" HA 117 0.430 1
48 1 8 1 "RMS(OBS, PRED)" N 102 3.030 1
49 1 9 1 "RMS(OBS, PRED)" C 96 3.096 1
50 1 9 1 "RMS(OBS, PRED)" CA 114 1.523 1
51 1 9 1 "RMS(OBS, PRED)" CB 111 1.721 1
52 1 9 1 "RMS(OBS, PRED)" H 101 0.766 1
53 1 9 1 "RMS(OBS, PRED)" HA 117 0.416 1
54 1 9 1 "RMS(OBS, PRED)" N 102 3.044 1
55 1 10 1 "RMS(OBS, PRED)" C 96 3.139 1
56 1 10 1 "RMS(OBS, PRED)" CA 114 1.320 1
57 1 10 1 "RMS(OBS, PRED)" CB 111 1.627 1
58 1 10 1 "RMS(OBS, PRED)" H 101 0.761 1
59 1 10 1 "RMS(OBS, PRED)" HA 117 0.398 1
60 1 10 1 "RMS(OBS, PRED)" N 102 3.071 1
61 1 11 1 "RMS(OBS, PRED)" C 96 3.150 1
62 1 11 1 "RMS(OBS, PRED)" CA 114 1.397 1
63 1 11 1 "RMS(OBS, PRED)" CB 111 1.700 1
64 1 11 1 "RMS(OBS, PRED)" H 101 0.808 1
65 1 11 1 "RMS(OBS, PRED)" HA 117 0.421 1
66 1 11 1 "RMS(OBS, PRED)" N 102 3.148 1
67 1 12 1 "RMS(OBS, PRED)" C 96 3.104 1
68 1 12 1 "RMS(OBS, PRED)" CA 114 1.369 1
69 1 12 1 "RMS(OBS, PRED)" CB 111 1.540 1
70 1 12 1 "RMS(OBS, PRED)" H 101 0.771 1
71 1 12 1 "RMS(OBS, PRED)" HA 117 0.437 1
72 1 12 1 "RMS(OBS, PRED)" N 102 3.048 1
73 1 13 1 "RMS(OBS, PRED)" C 96 3.103 1
74 1 13 1 "RMS(OBS, PRED)" CA 114 1.399 1
75 1 13 1 "RMS(OBS, PRED)" CB 111 1.543 1
76 1 13 1 "RMS(OBS, PRED)" H 101 0.760 1
77 1 13 1 "RMS(OBS, PRED)" HA 117 0.431 1
78 1 13 1 "RMS(OBS, PRED)" N 102 3.189 1
79 1 14 1 "RMS(OBS, PRED)" C 96 3.195 1
80 1 14 1 "RMS(OBS, PRED)" CA 114 1.454 1
81 1 14 1 "RMS(OBS, PRED)" CB 111 1.470 1
82 1 14 1 "RMS(OBS, PRED)" H 101 0.753 1
83 1 14 1 "RMS(OBS, PRED)" HA 117 0.389 1
84 1 14 1 "RMS(OBS, PRED)" N 102 3.114 1
85 1 15 1 "RMS(OBS, PRED)" C 96 3.113 1
86 1 15 1 "RMS(OBS, PRED)" CA 114 1.422 1
87 1 15 1 "RMS(OBS, PRED)" CB 111 1.744 1
88 1 15 1 "RMS(OBS, PRED)" H 101 0.769 1
89 1 15 1 "RMS(OBS, PRED)" HA 117 0.413 1
90 1 15 1 "RMS(OBS, PRED)" N 102 3.186 1
91 1 16 1 "RMS(OBS, PRED)" C 96 3.135 1
92 1 16 1 "RMS(OBS, PRED)" CA 114 1.474 1
93 1 16 1 "RMS(OBS, PRED)" CB 111 1.760 1
94 1 16 1 "RMS(OBS, PRED)" H 101 0.750 1
95 1 16 1 "RMS(OBS, PRED)" HA 117 0.442 1
96 1 16 1 "RMS(OBS, PRED)" N 102 3.207 1
97 1 17 1 "RMS(OBS, PRED)" C 96 3.164 1
98 1 17 1 "RMS(OBS, PRED)" CA 114 1.441 1
99 1 17 1 "RMS(OBS, PRED)" CB 111 1.647 1
100 1 17 1 "RMS(OBS, PRED)" H 101 0.770 1
101 1 17 1 "RMS(OBS, PRED)" HA 117 0.427 1
102 1 17 1 "RMS(OBS, PRED)" N 102 3.054 1
103 1 18 1 "RMS(OBS, PRED)" C 96 3.147 1
104 1 18 1 "RMS(OBS, PRED)" CA 114 1.368 1
105 1 18 1 "RMS(OBS, PRED)" CB 111 1.671 1
106 1 18 1 "RMS(OBS, PRED)" H 101 0.766 1
107 1 18 1 "RMS(OBS, PRED)" HA 117 0.403 1
108 1 18 1 "RMS(OBS, PRED)" N 102 2.981 1
109 1 19 1 "RMS(OBS, PRED)" C 96 3.140 1
110 1 19 1 "RMS(OBS, PRED)" CA 114 1.387 1
111 1 19 1 "RMS(OBS, PRED)" CB 111 1.723 1
112 1 19 1 "RMS(OBS, PRED)" H 101 0.774 1
113 1 19 1 "RMS(OBS, PRED)" HA 117 0.415 1
114 1 19 1 "RMS(OBS, PRED)" N 102 3.331 1
115 1 20 1 "RMS(OBS, PRED)" C 96 3.062 1
116 1 20 1 "RMS(OBS, PRED)" CA 114 1.393 1
117 1 20 1 "RMS(OBS, PRED)" CB 111 1.656 1
118 1 20 1 "RMS(OBS, PRED)" H 101 0.744 1
119 1 20 1 "RMS(OBS, PRED)" HA 117 0.464 1
120 1 20 1 "RMS(OBS, PRED)" N 102 3.141 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 2 2 TYR HA H 2 4.617 4.796 -0.179 2
1 7 . 1 1 A 2 2 TYR C C 2 172.716 175.113 -2.397 2
1 8 . 1 1 A 2 2 TYR CA C 2 56.943 58.355 -1.412 2
1 9 . 1 1 A 2 2 TYR CB C 2 38.050 40.258 -2.208 2
1 14 . 1 1 A 2 2 TYR N N 2 121.461 121.698 -0.237 2
1 15 . 1 1 A 3 3 THR H H 3 7.984 8.269 -0.285 2
1 16 . 1 1 A 3 3 THR HA H 3 4.684 4.560 0.124 2
1 21 . 1 1 A 3 3 THR C C 3 170.931 173.953 -3.022 2
1 22 . 1 1 A 3 3 THR CA C 3 60.870 61.273 -0.404 2
1 23 . 1 1 A 3 3 THR CB C 3 69.270 69.499 -0.229 2
1 25 . 1 1 A 3 3 THR N N 3 117.624 117.969 -0.345 2
1 26 . 1 1 A 4 4 GLU H H 4 8.290 7.572 0.718 2
1 27 . 1 1 A 4 4 GLU HA H 4 4.183 4.172 0.011 2
1 32 . 1 1 A 4 4 GLU C C 4 173.013 175.891 -2.878 2
1 33 . 1 1 A 4 4 GLU CA C 4 55.876 56.554 -0.678 2
1 34 . 1 1 A 4 4 GLU CB C 4 29.779 29.544 0.235 2
1 36 . 1 1 A 4 4 GLU N N 4 123.377 122.040 1.337 2
1 37 . 1 1 A 5 5 GLN H H 5 8.329 8.308 0.021 2
1 38 . 1 1 A 5 5 GLN HA H 5 4.392 4.432 -0.040 2
1 43 . 1 1 A 5 5 GLN CA C 5 52.634 54.639 -2.005 2
1 44 . 1 1 A 5 5 GLN CB C 5 28.759 28.228 0.531 2
1 46 . 1 1 A 5 5 GLN N N 5 122.599 122.610 -0.011 2
1 47 . 1 1 A 6 6 PRO HA H 6 4.323 4.640 -0.317 2
1 54 . 1 1 A 6 6 PRO C C 6 173.636 176.258 -2.622 2
1 55 . 1 1 A 6 6 PRO CA C 6 62.080 62.394 -0.314 2
1 56 . 1 1 A 6 6 PRO CB C 6 30.785 32.291 -1.506 2
1 59 . 1 1 A 7 7 ILE H H 7 8.160 8.457 -0.297 2
1 60 . 1 1 A 7 7 ILE HA H 7 3.871 4.084 -0.213 2
1 70 . 1 1 A 7 7 ILE C C 7 172.770 176.107 -3.337 2
1 71 . 1 1 A 7 7 ILE CA C 7 60.589 60.778 -0.189 2
1 72 . 1 1 A 7 7 ILE CB C 7 38.318 36.382 1.936 2
1 76 . 1 1 A 7 7 ILE N N 7 121.913 121.713 0.200 2
1 77 . 1 1 A 8 8 ASP H H 8 8.126 8.559 -0.433 2
1 78 . 1 1 A 8 8 ASP HA H 8 4.584 4.146 0.438 2
1 81 . 1 1 A 8 8 ASP C C 8 171.742 175.319 -3.577 2
1 82 . 1 1 A 8 8 ASP CA C 8 53.265 55.316 -2.051 2
1 83 . 1 1 A 8 8 ASP CB C 8 39.521 39.798 -0.277 2
1 84 . 1 1 A 8 8 ASP N N 8 124.858 124.431 0.427 2
1 85 . 1 1 A 9 9 LEU H H 9 7.374 7.890 -0.516 2
1 86 . 1 1 A 9 9 LEU HA H 9 4.506 4.495 0.011 2
1 96 . 1 1 A 9 9 LEU C C 9 174.041 175.784 -1.743 2
1 97 . 1 1 A 9 9 LEU CA C 9 53.779 54.734 -0.955 2
1 98 . 1 1 A 9 9 LEU CB C 9 43.411 42.983 0.428 2
1 102 . 1 1 A 9 9 LEU N N 9 122.151 119.937 2.214 2
1 103 . 1 1 A 10 10 VAL H H 10 8.827 8.753 0.074 2
1 104 . 1 1 A 10 10 VAL HA H 10 4.841 4.995 -0.154 2
1 112 . 1 1 A 10 10 VAL CA C 10 57.706 58.310 -0.604 2
1 113 . 1 1 A 10 10 VAL CB C 10 33.895 34.822 -0.927 2
1 116 . 1 1 A 10 10 VAL N N 10 120.738 119.845 0.893 2
1 117 . 1 1 A 11 11 PRO HA H 11 4.766 4.979 -0.213 2
1 124 . 1 1 A 11 11 PRO C C 11 173.149 175.200 -2.051 2
1 125 . 1 1 A 11 11 PRO CA C 11 62.417 62.753 -0.336 2
1 126 . 1 1 A 11 11 PRO CB C 11 32.119 32.941 -0.822 2
1 129 . 1 1 A 12 12 THR H H 12 7.408 8.495 -1.087 2
1 130 . 1 1 A 12 12 THR HA H 12 4.280 4.833 -0.553 2
1 135 . 1 1 A 12 12 THR C C 12 166.981 172.382 -5.401 2
1 136 . 1 1 A 12 12 THR CA C 12 59.142 59.836 -0.694 2
1 137 . 1 1 A 12 12 THR CB C 12 68.812 70.275 -1.463 2
1 139 . 1 1 A 12 12 THR N N 12 115.177 116.376 -1.199 2
1 140 . 1 1 A 13 13 GLN H H 13 7.953 8.714 -0.761 2
1 141 . 1 1 A 13 13 GLN HA H 13 5.073 4.942 0.131 2
1 146 . 1 1 A 13 13 GLN CA C 13 52.836 52.996 -0.160 2
1 147 . 1 1 A 13 13 GLN CB C 13 28.566 31.948 -3.382 2
1 149 . 1 1 A 13 13 GLN N N 13 113.324 120.151 -6.827 2
1 150 . 1 1 A 14 14 PRO HA H 14 4.340 4.595 -0.255 2
1 157 . 1 1 A 14 14 PRO C C 14 173.392 176.664 -3.272 2
1 158 . 1 1 A 14 14 PRO CA C 14 62.498 62.504 -0.006 2
1 159 . 1 1 A 14 14 PRO CB C 14 31.565 32.368 -0.803 2
1 162 . 1 1 A 15 15 LEU H H 15 8.764 8.387 0.377 2
1 163 . 1 1 A 15 15 LEU HA H 15 4.511 4.608 -0.097 2
1 173 . 1 1 A 15 15 LEU CA C 15 52.597 53.136 -0.539 2
1 174 . 1 1 A 15 15 LEU CB C 15 40.769 41.818 -1.049 2
1 178 . 1 1 A 15 15 LEU N N 15 124.665 121.377 3.288 2
1 179 . 1 1 A 16 16 PRO HA H 16 4.325 4.488 -0.163 2
1 186 . 1 1 A 16 16 PRO CA C 16 63.358 63.179 0.179 2
1 187 . 1 1 A 16 16 PRO CB C 16 31.187 32.380 -1.194 2
1 190 . 1 1 A 17 17 ASN H H 17 8.682 8.969 -0.287 2
1 191 . 1 1 A 17 17 ASN HA H 17 4.586 4.456 0.130 2
1 196 . 1 1 A 17 17 ASN C C 17 174.691 174.759 -0.068 2
1 197 . 1 1 A 17 17 ASN CA C 17 52.745 54.798 -2.053 2
1 198 . 1 1 A 17 17 ASN CB C 17 36.762 36.637 0.125 2
1 199 . 1 1 A 17 17 ASN N N 17 114.315 116.690 -2.375 2
1 201 . 1 1 A 18 18 ALA H H 18 7.283 8.002 -0.719 2
1 202 . 1 1 A 18 18 ALA HA H 18 4.569 4.503 0.066 2
1 206 . 1 1 A 18 18 ALA C C 18 174.041 176.869 -2.828 2
1 207 . 1 1 A 18 18 ALA CA C 18 51.618 53.100 -1.483 2
1 208 . 1 1 A 18 18 ALA CB C 18 20.698 19.859 0.839 2
1 209 . 1 1 A 18 18 ALA N N 18 121.620 123.473 -1.853 2
1 210 . 1 1 A 19 19 SER H H 19 8.744 9.006 -0.262 2
1 211 . 1 1 A 19 19 SER HA H 19 4.479 4.640 -0.161 2
1 214 . 1 1 A 19 19 SER C C 19 169.984 172.231 -2.247 2
1 215 . 1 1 A 19 19 SER CA C 19 56.634 56.920 -0.286 2
1 216 . 1 1 A 19 19 SER CB C 19 65.044 66.165 -1.121 2
1 217 . 1 1 A 19 19 SER N N 19 113.995 115.556 -1.561 2
1 218 . 1 1 A 20 20 PHE H H 20 7.753 7.885 -0.132 2
1 219 . 1 1 A 20 20 PHE HA H 20 3.514 4.093 -0.580 2
1 226 . 1 1 A 20 20 PHE C C 20 172.635 174.261 -1.626 2
1 227 . 1 1 A 20 20 PHE CA C 20 58.070 58.773 -0.703 2
1 228 . 1 1 A 20 20 PHE CB C 20 37.588 39.170 -1.582 2
1 233 . 1 1 A 20 20 PHE N N 20 124.690 124.917 -0.227 2
1 234 . 1 1 A 21 21 ASP H H 21 8.288 7.709 0.579 2
1 235 . 1 1 A 21 21 ASP HA H 21 4.351 4.654 -0.303 2
1 238 . 1 1 A 21 21 ASP CA C 21 51.826 52.358 -0.532 2
1 239 . 1 1 A 21 21 ASP CB C 21 38.598 43.933 -5.335 2
1 240 . 1 1 A 21 21 ASP N N 21 127.080 125.880 1.200 2
1 241 . 1 1 A 22 22 ASN HA H 22 3.766 4.598 -0.832 2
1 246 . 1 1 A 22 22 ASN C C 22 171.688 175.030 -3.342 2
1 247 . 1 1 A 22 22 ASN CA C 22 54.954 53.727 1.227 2
1 248 . 1 1 A 22 22 ASN CB C 22 37.641 38.326 -0.685 2
1 250 . 1 1 A 23 23 PHE H H 23 5.484 7.398 -1.914 2
1 251 . 1 1 A 23 23 PHE HA H 23 4.804 4.505 0.299 2
1 259 . 1 1 A 23 23 PHE C C 23 169.768 174.842 -5.074 2
1 260 . 1 1 A 23 23 PHE CA C 23 54.649 57.391 -2.742 2
1 261 . 1 1 A 23 23 PHE CB C 23 39.850 39.558 0.292 2
1 267 . 1 1 A 23 23 PHE N N 23 112.858 117.902 -5.044 2
1 268 . 1 1 A 24 24 LYS H H 24 8.329 8.910 -0.581 2
1 269 . 1 1 A 24 24 LYS HA H 24 3.719 4.358 -0.639 2
1 278 . 1 1 A 24 24 LYS C C 24 171.959 175.686 -3.727 2
1 279 . 1 1 A 24 24 LYS CA C 24 53.756 54.639 -0.883 2
1 280 . 1 1 A 24 24 LYS CB C 24 36.279 34.166 2.113 2
1 284 . 1 1 A 24 24 LYS N N 24 119.724 122.401 -2.677 2
1 285 . 1 1 A 25 25 LEU H H 25 9.144 8.339 0.805 2
1 286 . 1 1 A 25 25 LEU HA H 25 5.462 5.280 0.182 2
1 296 . 1 1 A 25 25 LEU C C 25 174.609 175.856 -1.247 2
1 297 . 1 1 A 25 25 LEU CA C 25 53.208 53.097 0.111 2
1 298 . 1 1 A 25 25 LEU CB C 25 41.419 44.721 -3.302 2
1 302 . 1 1 A 25 25 LEU N N 25 126.849 122.503 4.346 2
1 303 . 1 1 A 26 26 THR H H 26 8.956 8.891 0.065 2
1 304 . 1 1 A 26 26 THR HA H 26 4.471 5.240 -0.769 2
1 309 . 1 1 A 26 26 THR C C 26 169.524 173.067 -3.543 2
1 310 . 1 1 A 26 26 THR CA C 26 58.769 59.943 -1.174 2
1 311 . 1 1 A 26 26 THR CB C 26 69.971 72.329 -2.358 2
1 313 . 1 1 A 26 26 THR N N 26 113.907 111.858 2.049 2
1 314 . 1 1 A 27 27 CYS H H 27 8.507 8.591 -0.084 2
1 315 . 1 1 A 27 27 CYS HA H 27 4.509 4.808 -0.298 2
1 318 . 1 1 A 27 27 CYS C C 27 169.984 174.377 -4.393 2
1 319 . 1 1 A 27 27 CYS CA C 27 57.948 57.799 0.149 2
1 320 . 1 1 A 27 27 CYS CB C 27 29.529 30.968 -1.439 2
1 321 . 1 1 A 27 27 CYS N N 27 120.842 119.172 1.670 2
1 322 . 1 1 A 28 28 SER H H 28 9.044 8.614 0.430 2
1 323 . 1 1 A 28 28 SER HA H 28 4.140 4.241 -0.101 2
1 326 . 1 1 A 28 28 SER C C 28 172.716 174.831 -2.115 2
1 327 . 1 1 A 28 28 SER CA C 28 60.986 61.650 -0.664 2
1 328 . 1 1 A 28 28 SER CB C 28 61.437 62.862 -1.425 2
1 329 . 1 1 A 28 28 SER N N 28 124.898 118.439 6.459 2
1 330 . 1 1 A 29 29 ASN H H 29 7.825 7.723 0.102 2
1 331 . 1 1 A 29 29 ASN HA H 29 4.951 4.831 0.120 2
1 336 . 1 1 A 29 29 ASN C C 29 171.688 175.972 -4.284 2
1 337 . 1 1 A 29 29 ASN CA C 29 52.155 52.877 -0.722 2
1 338 . 1 1 A 29 29 ASN CB C 29 36.980 39.424 -2.444 2
1 339 . 1 1 A 29 29 ASN N N 29 121.001 118.884 2.117 2
1 341 . 1 1 A 30 30 THR H H 30 8.062 8.762 -0.701 2
1 342 . 1 1 A 30 30 THR HA H 30 3.901 4.028 -0.127 2
1 347 . 1 1 A 30 30 THR C C 30 173.338 176.707 -3.369 2
1 348 . 1 1 A 30 30 THR CA C 30 64.874 66.151 -1.277 2
1 349 . 1 1 A 30 30 THR CB C 30 67.715 68.612 -0.897 2
1 351 . 1 1 A 30 30 THR N N 30 119.799 119.273 0.526 2
1 352 . 1 1 A 31 31 LYS H H 31 8.015 8.074 -0.059 2
1 353 . 1 1 A 31 31 LYS HA H 31 4.119 3.982 0.137 2
1 362 . 1 1 A 31 31 LYS C C 31 174.231 178.534 -4.303 2
1 363 . 1 1 A 31 31 LYS CA C 31 58.286 59.493 -1.208 2
1 364 . 1 1 A 31 31 LYS CB C 31 31.547 32.253 -0.706 2
1 368 . 1 1 A 31 31 LYS N N 31 122.845 122.354 0.491 2
1 369 . 1 1 A 32 32 PHE H H 32 7.739 8.542 -0.803 2
1 370 . 1 1 A 32 32 PHE HA H 32 4.652 4.251 0.401 2
1 378 . 1 1 A 32 32 PHE C C 32 174.691 177.242 -2.551 2
1 379 . 1 1 A 32 32 PHE CA C 32 59.954 61.911 -1.957 2
1 380 . 1 1 A 32 32 PHE CB C 32 38.444 39.383 -0.939 2
1 386 . 1 1 A 32 32 PHE N N 32 120.100 121.045 -0.945 2
1 387 . 1 1 A 33 33 ALA H H 33 6.955 8.168 -1.213 2
1 388 . 1 1 A 33 33 ALA HA H 33 3.555 4.062 -0.507 2
1 392 . 1 1 A 33 33 ALA C C 33 175.502 179.575 -4.073 2
1 393 . 1 1 A 33 33 ALA CA C 33 54.703 55.084 -0.381 2
1 394 . 1 1 A 33 33 ALA CB C 33 17.085 18.209 -1.124 2
1 395 . 1 1 A 33 33 ALA N N 33 116.140 120.991 -4.851 2
1 396 . 1 1 A 34 34 ASP H H 34 8.795 8.288 0.507 2
1 397 . 1 1 A 34 34 ASP HA H 34 4.367 4.400 -0.033 2
1 400 . 1 1 A 34 34 ASP C C 34 176.854 178.144 -1.290 2
1 401 . 1 1 A 34 34 ASP CA C 34 56.911 57.249 -0.338 2
1 402 . 1 1 A 34 34 ASP CB C 34 39.495 41.079 -1.584 2
1 403 . 1 1 A 34 34 ASP N N 34 118.170 118.651 -0.481 2
1 404 . 1 1 A 35 35 ASP H H 35 8.791 8.471 0.320 2
1 405 . 1 1 A 35 35 ASP HA H 35 4.360 4.409 -0.049 2
1 408 . 1 1 A 35 35 ASP C C 35 177.233 178.837 -1.604 2
1 409 . 1 1 A 35 35 ASP CA C 35 56.890 57.417 -0.527 2
1 410 . 1 1 A 35 35 ASP CB C 35 39.291 41.093 -1.802 2
1 411 . 1 1 A 35 35 ASP N N 35 121.921 119.658 2.263 2
1 412 . 1 1 A 36 36 LEU H H 36 7.792 8.024 -0.232 2
1 413 . 1 1 A 36 36 LEU HA H 36 4.162 3.950 0.212 2
1 423 . 1 1 A 36 36 LEU C C 36 176.097 179.375 -3.278 2
1 424 . 1 1 A 36 36 LEU CA C 36 57.508 57.990 -0.482 2
1 425 . 1 1 A 36 36 LEU CB C 36 41.523 41.425 0.098 2
1 429 . 1 1 A 36 36 LEU N N 36 121.822 120.285 1.537 2
1 430 . 1 1 A 37 37 ASN H H 37 9.015 8.577 0.438 2
1 431 . 1 1 A 37 37 ASN HA H 37 4.733 4.553 0.180 2
1 436 . 1 1 A 37 37 ASN C C 37 176.232 178.479 -2.247 2
1 437 . 1 1 A 37 37 ASN CA C 37 54.288 56.523 -2.235 2
1 438 . 1 1 A 37 37 ASN CB C 37 37.337 37.983 -0.646 2
1 439 . 1 1 A 37 37 ASN N N 37 116.904 117.649 -0.745 2
1 441 . 1 1 A 38 38 GLN H H 38 8.218 7.774 0.443 2
1 442 . 1 1 A 38 38 GLN HA H 38 4.074 4.148 -0.074 2
1 447 . 1 1 A 38 38 GLN C C 38 175.773 178.725 -2.952 2
1 448 . 1 1 A 38 38 GLN CA C 38 58.134 58.751 -0.617 2
1 449 . 1 1 A 38 38 GLN CB C 38 27.676 28.319 -0.643 2
1 451 . 1 1 A 38 38 GLN N N 38 121.443 120.009 1.434 2
1 452 . 1 1 A 39 39 MET H H 39 7.487 8.002 -0.515 2
1 453 . 1 1 A 39 39 MET HA H 39 3.967 4.281 -0.314 2
1 461 . 1 1 A 39 39 MET C C 39 176.259 177.703 -1.444 2
1 462 . 1 1 A 39 39 MET CA C 39 58.374 58.050 0.324 2
1 463 . 1 1 A 39 39 MET CB C 39 33.000 33.078 -0.078 2
1 466 . 1 1 A 39 39 MET N N 39 118.793 119.202 -0.409 2
1 467 . 1 1 A 40 40 THR H H 40 7.873 7.486 0.387 2
1 468 . 1 1 A 40 40 THR HA H 40 3.769 4.171 -0.402 2
1 473 . 1 1 A 40 40 THR C C 40 173.906 175.042 -1.136 2
1 474 . 1 1 A 40 40 THR CA C 40 61.739 62.681 -0.942 2
1 475 . 1 1 A 40 40 THR CB C 40 68.427 69.388 -0.961 2
1 477 . 1 1 A 40 40 THR N N 40 108.945 110.200 -1.255 2
1 478 . 1 1 A 41 41 GLY H H 41 7.199 7.665 -0.466 2
1 479 . 1 1 A 41 41 GLY HA2 H 41 3.899 3.911 -0.012 2
1 480 . 1 1 A 41 41 GLY HA3 H 41 3.662 3.935 -0.273 2
1 481 . 1 1 A 41 41 GLY C C 41 171.661 174.576 -2.915 2
1 482 . 1 1 A 41 41 GLY CA C 41 44.926 45.756 -0.830 2
1 483 . 1 1 A 41 41 GLY N N 41 106.430 110.712 -4.282 2
1 484 . 1 1 A 42 42 PHE H H 42 7.876 8.063 -0.187 2
1 485 . 1 1 A 42 42 PHE HA H 42 4.682 4.636 0.046 2
1 493 . 1 1 A 42 42 PHE C C 42 171.499 174.785 -3.286 2
1 494 . 1 1 A 42 42 PHE CA C 42 57.793 59.192 -1.399 2
1 495 . 1 1 A 42 42 PHE CB C 42 39.422 39.818 -0.395 2
1 501 . 1 1 A 42 42 PHE N N 42 122.221 121.437 0.784 2
1 502 . 1 1 A 43 43 THR H H 43 8.418 8.345 0.073 2
1 503 . 1 1 A 43 43 THR HA H 43 3.665 4.150 -0.485 2
1 508 . 1 1 A 43 43 THR C C 43 168.767 173.168 -4.401 2
1 509 . 1 1 A 43 43 THR CA C 43 59.002 60.442 -1.440 2
1 510 . 1 1 A 43 43 THR CB C 43 70.919 71.918 -0.999 2
1 512 . 1 1 A 43 43 THR N N 43 123.470 122.244 1.226 2
1 513 . 1 1 A 44 44 LYS H H 44 7.999 8.095 -0.096 2
1 514 . 1 1 A 44 44 LYS HA H 44 3.924 4.628 -0.704 2
1 523 . 1 1 A 44 44 LYS CA C 44 54.785 54.594 0.191 2
1 524 . 1 1 A 44 44 LYS CB C 44 31.047 31.489 -0.442 2
1 528 . 1 1 A 44 44 LYS N N 44 124.728 125.259 -0.531 2
1 529 . 1 1 A 45 45 PRO HA H 45 4.581 4.582 -0.000 2
1 536 . 1 1 A 45 45 PRO C C 45 172.770 176.956 -4.186 2
1 537 . 1 1 A 45 45 PRO CA C 45 60.970 62.615 -1.645 2
1 538 . 1 1 A 45 45 PRO CB C 45 33.754 32.433 1.321 2
1 541 . 1 1 A 46 46 ALA H H 46 8.715 8.509 0.206 2
1 542 . 1 1 A 46 46 ALA HA H 46 4.674 4.796 -0.122 2
1 546 . 1 1 A 46 46 ALA C C 46 175.827 178.280 -2.453 2
1 547 . 1 1 A 46 46 ALA CA C 46 50.851 52.486 -1.635 2
1 548 . 1 1 A 46 46 ALA CB C 46 20.458 19.360 1.098 2
1 549 . 1 1 A 46 46 ALA N N 46 123.249 125.010 -1.761 2
1 550 . 1 1 A 47 47 SER H H 47 8.518 8.862 -0.344 2
1 551 . 1 1 A 47 47 SER HA H 47 4.202 4.407 -0.205 2
1 554 . 1 1 A 47 47 SER C C 47 171.769 174.487 -2.718 2
1 555 . 1 1 A 47 47 SER CA C 47 58.740 60.530 -1.790 2
1 556 . 1 1 A 47 47 SER CB C 47 62.419 63.786 -1.367 2
1 557 . 1 1 A 47 47 SER N N 47 117.696 116.919 0.777 2
1 558 . 1 1 A 48 48 ARG H H 48 7.276 7.668 -0.392 2
1 559 . 1 1 A 48 48 ARG HA H 48 4.466 4.764 -0.298 2
1 566 . 1 1 A 48 48 ARG C C 48 170.417 173.763 -3.346 2
1 567 . 1 1 A 48 48 ARG CA C 48 54.164 54.661 -0.497 2
1 568 . 1 1 A 48 48 ARG CB C 48 29.775 33.307 -3.532 2
1 571 . 1 1 A 48 48 ARG N N 48 115.830 116.702 -0.872 2
1 572 . 1 1 A 49 49 GLU H H 49 8.681 8.675 0.006 2
1 573 . 1 1 A 49 49 GLU HA H 49 5.373 5.143 0.230 2
1 578 . 1 1 A 49 49 GLU C C 49 172.716 175.512 -2.796 2
1 579 . 1 1 A 49 49 GLU CA C 49 53.744 55.115 -1.371 2
1 580 . 1 1 A 49 49 GLU CB C 49 32.057 31.508 0.549 2
1 582 . 1 1 A 49 49 GLU N N 49 119.800 119.426 0.374 2
1 583 . 1 1 A 50 50 LEU H H 50 8.720 8.931 -0.211 2
1 584 . 1 1 A 50 50 LEU HA H 50 4.821 4.600 0.221 2
1 594 . 1 1 A 50 50 LEU C C 50 171.932 175.978 -4.046 2
1 595 . 1 1 A 50 50 LEU CA C 50 52.447 54.332 -1.885 2
1 596 . 1 1 A 50 50 LEU CB C 50 44.748 43.082 1.666 2
1 600 . 1 1 A 50 50 LEU N N 50 124.747 125.789 -1.042 2
1 601 . 1 1 A 51 51 SER H H 51 9.560 8.675 0.885 2
1 602 . 1 1 A 51 51 SER HA H 51 4.881 5.322 -0.441 2
1 605 . 1 1 A 51 51 SER C C 51 171.769 173.129 -1.360 2
1 606 . 1 1 A 51 51 SER CA C 51 55.707 57.090 -1.383 2
1 607 . 1 1 A 51 51 SER CB C 51 64.701 65.655 -0.954 2
1 608 . 1 1 A 51 51 SER N N 51 119.156 117.216 1.941 2
1 609 . 1 1 A 52 52 VAL H H 52 8.416 8.650 -0.234 2
1 610 . 1 1 A 52 52 VAL HA H 52 5.196 5.024 0.172 2
1 618 . 1 1 A 52 52 VAL CA C 52 59.207 60.814 -1.607 2
1 619 . 1 1 A 52 52 VAL CB C 52 33.156 34.314 -1.158 2
1 622 . 1 1 A 52 52 VAL N N 52 121.797 124.079 -2.282 2
1 623 . 1 1 A 53 53 THR H H 53 8.383 8.699 -0.316 2
1 624 . 1 1 A 53 53 THR HA H 53 4.358 4.951 -0.593 2
1 629 . 1 1 A 53 53 THR C C 53 169.741 172.597 -2.856 2
1 630 . 1 1 A 53 53 THR CA C 53 58.375 59.676 -1.301 2
1 631 . 1 1 A 53 53 THR CB C 53 70.707 71.785 -1.078 2
1 633 . 1 1 A 53 53 THR N N 53 117.287 116.637 0.650 2
1 634 . 1 1 A 54 54 PHE H H 54 8.737 8.895 -0.158 2
1 635 . 1 1 A 54 54 PHE HA H 54 4.536 4.904 -0.368 2
1 643 . 1 1 A 54 54 PHE C C 54 172.986 175.583 -2.597 2
1 644 . 1 1 A 54 54 PHE CA C 54 57.064 56.479 0.585 2
1 645 . 1 1 A 54 54 PHE CB C 54 38.755 40.164 -1.409 2
1 651 . 1 1 A 54 54 PHE N N 54 118.180 121.894 -3.714 2
1 652 . 1 1 A 55 55 PHE H H 55 9.167 8.928 0.239 2
1 653 . 1 1 A 55 55 PHE HA H 55 3.715 4.529 -0.814 2
1 660 . 1 1 A 55 55 PHE CA C 55 57.908 57.195 0.713 2
1 661 . 1 1 A 55 55 PHE CB C 55 39.594 38.969 0.625 2
1 666 . 1 1 A 55 55 PHE N N 55 128.290 124.141 4.149 2
1 667 . 1 1 A 56 56 PRO HA H 56 2.356 3.790 -1.434 2
1 674 . 1 1 A 56 56 PRO C C 56 171.012 175.058 -4.046 2
1 675 . 1 1 A 56 56 PRO CA C 56 62.611 62.444 0.167 2
1 676 . 1 1 A 56 56 PRO CB C 56 32.522 30.817 1.705 2
1 679 . 1 1 A 57 57 ASP H H 57 9.009 8.310 0.699 2
1 680 . 1 1 A 57 57 ASP HA H 57 4.289 4.750 -0.461 2
1 683 . 1 1 A 57 57 ASP C C 57 173.257 175.047 -1.790 2
1 684 . 1 1 A 57 57 ASP CA C 57 53.752 53.780 -0.028 2
1 685 . 1 1 A 57 57 ASP CB C 57 40.067 43.148 -3.081 2
1 686 . 1 1 A 57 57 ASP N N 57 127.876 122.353 5.523 2
1 687 . 1 1 A 58 58 LEU H H 58 8.368 8.470 -0.102 2
1 688 . 1 1 A 58 58 LEU HA H 58 4.229 4.807 -0.578 2
1 698 . 1 1 A 58 58 LEU C C 58 174.285 177.296 -3.011 2
1 699 . 1 1 A 58 58 LEU CA C 58 52.468 53.566 -1.098 2
1 700 . 1 1 A 58 58 LEU CB C 58 40.258 41.934 -1.676 2
1 704 . 1 1 A 58 58 LEU N N 58 128.010 121.216 6.794 2
1 705 . 1 1 A 59 59 ASN H H 59 8.430 8.123 0.306 2
1 706 . 1 1 A 59 59 ASN HA H 59 4.198 4.644 -0.446 2
1 711 . 1 1 A 59 59 ASN C C 59 173.636 176.401 -2.765 2
1 712 . 1 1 A 59 59 ASN CA C 59 54.945 54.761 0.184 2
1 713 . 1 1 A 59 59 ASN CB C 59 38.175 38.893 -0.718 2
1 714 . 1 1 A 59 59 ASN N N 59 116.745 118.396 -1.651 2
1 716 . 1 1 A 60 60 GLY H H 60 8.083 7.851 0.232 2
1 717 . 1 1 A 60 60 GLY HA2 H 60 3.766 4.002 -0.236 2
1 718 . 1 1 A 60 60 GLY HA3 H 60 3.326 4.017 -0.691 2
1 719 . 1 1 A 60 60 GLY C C 60 169.876 174.648 -4.772 2
1 720 . 1 1 A 60 60 GLY CA C 60 44.285 44.910 -0.625 2
1 721 . 1 1 A 60 60 GLY N N 60 110.045 107.909 2.136 2
1 722 . 1 1 A 61 61 ASP H H 61 8.084 8.665 -0.581 2
1 723 . 1 1 A 61 61 ASP HA H 61 4.200 4.432 -0.232 2
1 726 . 1 1 A 61 61 ASP C C 61 172.283 175.787 -3.504 2
1 727 . 1 1 A 61 61 ASP CA C 61 56.865 56.045 0.820 2
1 728 . 1 1 A 61 61 ASP CB C 61 42.113 41.163 0.950 2
1 729 . 1 1 A 61 61 ASP N N 61 121.395 119.809 1.586 2
1 730 . 1 1 A 62 62 VAL H H 62 8.387 7.759 0.628 2
1 731 . 1 1 A 62 62 VAL HA H 62 4.096 4.658 -0.562 2
1 739 . 1 1 A 62 62 VAL C C 62 171.255 174.393 -3.138 2
1 740 . 1 1 A 62 62 VAL CA C 62 58.914 60.390 -1.476 2
1 741 . 1 1 A 62 62 VAL CB C 62 34.433 35.629 -1.196 2
1 744 . 1 1 A 62 62 VAL N N 62 117.701 117.574 0.127 2
1 745 . 1 1 A 63 63 VAL H H 63 8.251 8.416 -0.165 2
1 746 . 1 1 A 63 63 VAL HA H 63 4.637 4.926 -0.289 2
1 754 . 1 1 A 63 63 VAL C C 63 171.282 174.518 -3.236 2
1 755 . 1 1 A 63 63 VAL CA C 63 59.233 60.078 -0.845 2
1 756 . 1 1 A 63 63 VAL CB C 63 33.531 35.290 -1.759 2
1 759 . 1 1 A 63 63 VAL N N 63 125.341 125.054 0.287 2
1 760 . 1 1 A 64 64 ALA H H 64 9.316 8.846 0.470 2
1 761 . 1 1 A 64 64 ALA HA H 64 5.036 5.353 -0.317 2
1 765 . 1 1 A 64 64 ALA C C 64 173.825 175.728 -1.903 2
1 766 . 1 1 A 64 64 ALA CA C 64 49.059 50.335 -1.276 2
1 767 . 1 1 A 64 64 ALA CB C 64 20.323 22.859 -2.536 2
1 768 . 1 1 A 64 64 ALA N N 64 128.526 125.848 2.678 2
1 769 . 1 1 A 65 65 ILE H H 65 9.451 9.226 0.225 2
1 770 . 1 1 A 65 65 ILE HA H 65 4.475 4.778 -0.303 2
1 780 . 1 1 A 65 65 ILE C C 65 172.121 174.959 -2.838 2
1 781 . 1 1 A 65 65 ILE CA C 65 56.490 59.641 -3.151 2
1 782 . 1 1 A 65 65 ILE CB C 65 37.474 41.311 -3.837 2
1 786 . 1 1 A 65 65 ILE N N 65 126.677 121.098 5.579 2
1 787 . 1 1 A 66 66 ASP H H 66 9.165 8.751 0.414 2
1 788 . 1 1 A 66 66 ASP HA H 66 4.045 4.409 -0.364 2
1 791 . 1 1 A 66 66 ASP C C 66 174.663 176.968 -2.305 2
1 792 . 1 1 A 66 66 ASP CA C 66 54.199 54.444 -0.245 2
1 793 . 1 1 A 66 66 ASP CB C 66 42.211 42.059 0.152 2
1 794 . 1 1 A 66 66 ASP N N 66 128.723 125.982 2.741 2
1 795 . 1 1 A 67 67 TYR H H 67 8.919 9.070 -0.151 2
1 796 . 1 1 A 67 67 TYR HA H 67 4.344 4.193 0.151 2
1 801 . 1 1 A 67 67 TYR C C 67 173.257 177.215 -3.958 2
1 802 . 1 1 A 67 67 TYR CA C 67 59.614 61.735 -2.121 2
1 803 . 1 1 A 67 67 TYR CB C 67 39.338 38.966 0.372 2
1 806 . 1 1 A 67 67 TYR N N 67 127.739 125.928 1.811 2
1 807 . 1 1 A 68 68 ARG H H 68 9.459 8.455 1.004 2
1 808 . 1 1 A 68 68 ARG HA H 68 3.923 4.003 -0.080 2
1 815 . 1 1 A 68 68 ARG C C 68 174.150 177.488 -3.338 2
1 816 . 1 1 A 68 68 ARG CA C 68 57.691 58.680 -0.989 2
1 817 . 1 1 A 68 68 ARG CB C 68 27.945 29.811 -1.866 2
1 820 . 1 1 A 68 68 ARG N N 68 121.666 118.108 3.558 2
1 821 . 1 1 A 69 69 HIS H H 69 8.146 7.875 0.271 2
1 822 . 1 1 A 69 69 HIS HA H 69 4.538 4.534 0.004 2
1 826 . 1 1 A 69 69 HIS C C 69 171.391 174.899 -3.508 2
1 827 . 1 1 A 69 69 HIS CA C 69 55.405 56.622 -1.217 2
1 828 . 1 1 A 69 69 HIS CB C 69 29.458 29.788 -0.329 2
1 830 . 1 1 A 69 69 HIS N N 69 117.372 116.570 0.802 2
1 831 . 1 1 A 70 70 TYR H H 70 7.468 7.432 0.036 2
1 832 . 1 1 A 70 70 TYR HA H 70 3.431 3.584 -0.153 2
1 839 . 1 1 A 70 70 TYR C C 70 171.904 174.422 -2.518 2
1 840 . 1 1 A 70 70 TYR CA C 70 60.020 55.642 4.378 2
1 841 . 1 1 A 70 70 TYR CB C 70 37.554 36.421 1.133 2
1 846 . 1 1 A 70 70 TYR N N 70 121.636 122.001 -0.365 2
1 847 . 1 1 A 71 71 SER H H 71 5.657 8.876 -3.219 2
1 848 . 1 1 A 71 71 SER HA H 71 3.958 4.460 -0.502 2
1 851 . 1 1 A 71 71 SER C C 71 170.390 175.037 -4.647 2
1 852 . 1 1 A 71 71 SER CA C 71 55.267 57.539 -2.272 2
1 853 . 1 1 A 71 71 SER CB C 71 64.410 64.352 0.058 2
1 854 . 1 1 A 71 71 SER N N 71 120.240 123.096 -2.856 2
1 855 . 1 1 A 72 72 ALA H H 72 8.461 8.697 -0.236 2
1 856 . 1 1 A 72 72 ALA HA H 72 3.757 3.957 -0.200 2
1 860 . 1 1 A 72 72 ALA CA C 72 54.250 54.313 -0.063 2
1 861 . 1 1 A 72 72 ALA CB C 72 17.423 18.149 -0.726 2
1 862 . 1 1 A 72 72 ALA N N 72 123.497 127.041 -3.544 2
1 863 . 1 1 A 73 73 SER HA H 73 3.904 3.919 -0.015 2
1 866 . 1 1 A 73 73 SER C C 73 172.500 175.464 -2.964 2
1 867 . 1 1 A 73 73 SER CA C 73 59.873 61.882 -2.009 2
1 868 . 1 1 A 73 73 SER CB C 73 61.769 62.634 -0.865 2
1 869 . 1 1 A 74 74 PHE H H 74 7.508 7.654 -0.146 2
1 870 . 1 1 A 74 74 PHE HA H 74 5.163 4.768 0.395 2
1 877 . 1 1 A 74 74 PHE C C 74 173.987 176.369 -2.382 2
1 878 . 1 1 A 74 74 PHE CA C 74 53.320 58.047 -4.727 2
1 879 . 1 1 A 74 74 PHE CB C 74 37.854 38.767 -0.913 2
1 884 . 1 1 A 74 74 PHE N N 74 118.853 117.575 1.278 2
1 885 . 1 1 A 75 75 LYS H H 75 7.245 7.897 -0.652 2
1 886 . 1 1 A 75 75 LYS HA H 75 4.200 4.080 0.120 2
1 895 . 1 1 A 75 75 LYS C C 75 173.717 177.379 -3.662 2
1 896 . 1 1 A 75 75 LYS CA C 75 59.003 59.417 -0.414 2
1 897 . 1 1 A 75 75 LYS CB C 75 31.846 32.047 -0.201 2
1 901 . 1 1 A 75 75 LYS N N 75 121.129 121.562 -0.434 2
1 902 . 1 1 A 76 76 LYS H H 76 7.841 7.727 0.114 2
1 903 . 1 1 A 76 76 LYS HA H 76 3.738 2.510 1.228 2
1 912 . 1 1 A 76 76 LYS C C 76 170.200 175.555 -5.355 2
1 913 . 1 1 A 76 76 LYS CA C 76 55.114 54.684 0.430 2
1 914 . 1 1 A 76 76 LYS CB C 76 32.393 32.239 0.154 2
1 918 . 1 1 A 76 76 LYS N N 76 114.423 116.549 -2.126 2
1 919 . 1 1 A 77 77 GLY H H 77 7.239 7.327 -0.088 2
1 920 . 1 1 A 77 77 GLY HA2 H 77 3.737 4.019 -0.282 2
1 921 . 1 1 A 77 77 GLY HA3 H 77 4.771 4.039 0.732 2
1 922 . 1 1 A 77 77 GLY C C 77 170.795 172.302 -1.507 2
1 923 . 1 1 A 77 77 GLY CA C 77 43.770 44.122 -0.352 2
1 924 . 1 1 A 77 77 GLY N N 77 103.318 106.994 -3.676 2
1 925 . 1 1 A 78 78 ALA H H 78 6.868 8.214 -1.347 2
1 926 . 1 1 A 78 78 ALA HA H 78 4.982 5.130 -0.148 2
1 930 . 1 1 A 78 78 ALA C C 78 171.904 175.603 -3.699 2
1 931 . 1 1 A 78 78 ALA CA C 78 49.907 51.264 -1.358 2
1 932 . 1 1 A 78 78 ALA CB C 78 22.601 23.439 -0.838 2
1 933 . 1 1 A 78 78 ALA N N 78 117.057 120.788 -3.731 2
1 934 . 1 1 A 79 79 LYS H H 79 8.765 8.904 -0.139 2
1 935 . 1 1 A 79 79 LYS HA H 79 4.636 4.946 -0.309 2
1 944 . 1 1 A 79 79 LYS C C 79 171.039 174.219 -3.180 2
1 945 . 1 1 A 79 79 LYS CA C 79 54.485 54.344 0.141 2
1 946 . 1 1 A 79 79 LYS CB C 79 35.963 36.235 -0.272 2
1 950 . 1 1 A 79 79 LYS N N 79 117.018 115.764 1.254 2
1 951 . 1 1 A 80 80 LEU H H 80 8.782 8.843 -0.061 2
1 952 . 1 1 A 80 80 LEU HA H 80 4.459 4.556 -0.097 2
1 962 . 1 1 A 80 80 LEU C C 80 173.095 177.511 -4.416 2
1 963 . 1 1 A 80 80 LEU CA C 80 52.743 52.794 -0.051 2
1 964 . 1 1 A 80 80 LEU CB C 80 42.494 44.365 -1.871 2
1 968 . 1 1 A 80 80 LEU N N 80 122.496 122.418 0.078 2
1 969 . 1 1 A 81 81 LEU H H 81 8.636 8.609 0.027 2
1 970 . 1 1 A 81 81 LEU HA H 81 3.578 4.041 -0.463 2
1 980 . 1 1 A 81 81 LEU CA C 81 57.316 58.666 -1.350 2
1 981 . 1 1 A 81 81 LEU CB C 81 39.032 42.146 -3.114 2
1 985 . 1 1 A 81 81 LEU N N 81 125.060 125.327 -0.267 2
1 986 . 1 1 A 82 82 HIS H H 82 8.379 7.606 0.773 2
1 987 . 1 1 A 82 82 HIS HA H 82 4.551 4.798 -0.247 2
1 992 . 1 1 A 82 82 HIS C C 82 172.635 174.178 -1.543 2
1 993 . 1 1 A 82 82 HIS CA C 82 55.432 55.192 0.240 2
1 994 . 1 1 A 82 82 HIS CB C 82 29.646 31.545 -1.899 2
1 997 . 1 1 A 82 82 HIS N N 82 114.387 111.358 3.029 2
1 998 . 1 1 A 83 83 LYS H H 83 8.023 7.444 0.579 2
1 999 . 1 1 A 83 83 LYS HA H 83 4.670 4.441 0.229 2
1 1008 . 1 1 A 83 83 LYS CA C 83 52.041 53.203 -1.162 2
1 1009 . 1 1 A 83 83 LYS CB C 83 32.741 33.212 -0.471 2
1 1013 . 1 1 A 83 83 LYS N N 83 122.886 120.108 2.778 2
1 1014 . 1 1 A 84 84 PRO HA H 84 4.585 4.667 -0.082 2
1 1021 . 1 1 A 84 84 PRO C C 84 172.797 176.193 -3.396 2
1 1022 . 1 1 A 84 84 PRO CA C 84 62.050 62.350 -0.300 2
1 1023 . 1 1 A 84 84 PRO CB C 84 32.770 32.587 0.183 2
1 1026 . 1 1 A 85 85 ILE H H 85 6.185 8.046 -1.861 2
1 1027 . 1 1 A 85 85 ILE HA H 85 5.743 5.345 0.398 2
1 1037 . 1 1 A 85 85 ILE C C 85 174.366 174.204 0.162 2
1 1038 . 1 1 A 85 85 ILE CA C 85 57.032 58.461 -1.429 2
1 1039 . 1 1 A 85 85 ILE CB C 85 41.265 41.973 -0.708 2
1 1043 . 1 1 A 85 85 ILE N N 85 107.777 116.038 -8.261 2
1 1044 . 1 1 A 86 86 VAL H H 86 7.552 8.614 -1.062 2
1 1045 . 1 1 A 86 86 VAL HA H 86 4.278 4.738 -0.460 2
1 1053 . 1 1 A 86 86 VAL CA C 86 59.345 58.708 0.637 2
1 1054 . 1 1 A 86 86 VAL CB C 86 34.990 35.697 -0.707 2
1 1057 . 1 1 A 86 86 VAL N N 86 109.584 116.305 -6.721 2
1 1058 . 1 1 A 87 87 TRP H H 87 10.036 8.666 1.370 2
1 1059 . 1 1 A 87 87 TRP HA H 87 6.158 5.604 0.554 2
1 1068 . 1 1 A 87 87 TRP C C 87 174.393 176.451 -2.058 2
1 1069 . 1 1 A 87 87 TRP CA C 87 55.238 56.089 -0.851 2
1 1070 . 1 1 A 87 87 TRP CB C 87 32.786 30.989 1.797 2
1 1076 . 1 1 A 87 87 TRP N N 87 122.256 122.984 -0.728 2
1 1078 . 1 1 A 88 88 HIS H H 88 8.802 9.124 -0.322 2
1 1079 . 1 1 A 88 88 HIS HA H 88 5.383 5.939 -0.556 2
1 1085 . 1 1 A 88 88 HIS CA C 88 53.902 53.772 0.130 2
1 1086 . 1 1 A 88 88 HIS CB C 88 37.553 32.918 4.635 2
1 1089 . 1 1 A 88 88 HIS N N 88 116.636 119.260 -2.624 2
1 1090 . 1 1 A 89 89 ILE H H 89 9.197 8.711 0.486 2
1 1091 . 1 1 A 89 89 ILE HA H 89 4.022 4.325 -0.304 2
1 1101 . 1 1 A 89 89 ILE C C 89 174.582 176.101 -1.519 2
1 1102 . 1 1 A 89 89 ILE CA C 89 61.042 60.290 0.752 2
1 1103 . 1 1 A 89 89 ILE CB C 89 40.176 39.869 0.307 2
1 1107 . 1 1 A 89 89 ILE N N 89 118.669 120.968 -2.299 2
1 1108 . 1 1 A 90 90 ASN H H 90 9.688 8.841 0.847 2
1 1109 . 1 1 A 90 90 ASN HA H 90 4.281 4.407 -0.126 2
1 1114 . 1 1 A 90 90 ASN C C 90 171.418 174.329 -2.911 2
1 1115 . 1 1 A 90 90 ASN CA C 90 53.724 53.791 -0.067 2
1 1116 . 1 1 A 90 90 ASN CB C 90 36.919 36.609 0.310 2
1 1117 . 1 1 A 90 90 ASN N N 90 128.710 124.757 3.953 2
1 1119 . 1 1 A 91 91 GLN H H 91 10.928 8.115 2.813 2
1 1120 . 1 1 A 91 91 GLN HA H 91 2.586 3.088 -0.502 2
1 1127 . 1 1 A 91 91 GLN C C 91 170.146 174.136 -3.990 2
1 1128 . 1 1 A 91 91 GLN CA C 91 55.444 56.916 -1.472 2
1 1129 . 1 1 A 91 91 GLN CB C 91 23.948 26.461 -2.513 2
1 1131 . 1 1 A 91 91 GLN N N 91 112.871 111.331 1.540 2
1 1133 . 1 1 A 92 92 ALA H H 92 7.692 7.746 -0.054 2
1 1134 . 1 1 A 92 92 ALA HA H 92 4.979 5.136 -0.157 2
1 1138 . 1 1 A 92 92 ALA C C 92 174.068 175.498 -1.430 2
1 1139 . 1 1 A 92 92 ALA CA C 92 49.792 50.807 -1.015 2
1 1140 . 1 1 A 92 92 ALA CB C 92 21.832 22.804 -0.972 2
1 1141 . 1 1 A 92 92 ALA N N 92 118.287 119.862 -1.575 2
1 1142 . 1 1 A 93 93 THR H H 93 9.026 9.013 0.013 2
1 1143 . 1 1 A 93 93 THR HA H 93 5.281 5.363 -0.082 2
1 1148 . 1 1 A 93 93 THR C C 93 170.768 173.284 -2.516 2
1 1149 . 1 1 A 93 93 THR CA C 93 58.597 60.309 -1.712 2
1 1150 . 1 1 A 93 93 THR CB C 93 70.855 71.742 -0.887 2
1 1152 . 1 1 A 93 93 THR N N 93 114.894 114.187 0.707 2
1 1153 . 1 1 A 94 94 THR H H 94 8.292 8.625 -0.333 2
1 1154 . 1 1 A 94 94 THR HA H 94 4.903 4.934 -0.031 2
1 1159 . 1 1 A 94 94 THR CA C 94 58.800 59.621 -0.821 2
1 1160 . 1 1 A 94 94 THR CB C 94 71.488 71.916 -0.428 2
1 1162 . 1 1 A 94 94 THR N N 94 119.907 118.115 1.792 2
1 1163 . 1 1 A 95 95 LYS HA H 95 4.056 4.148 -0.092 2
1 1172 . 1 1 A 95 95 LYS CA C 95 59.376 59.728 -0.352 2
1 1173 . 1 1 A 95 95 LYS CB C 95 31.083 32.152 -1.069 2
1 1177 . 1 1 A 96 96 THR H H 96 7.773 7.907 -0.134 2
1 1178 . 1 1 A 96 96 THR HA H 96 3.798 4.133 -0.335 2
1 1183 . 1 1 A 96 96 THR C C 96 171.850 176.481 -4.631 2
1 1184 . 1 1 A 96 96 THR CA C 96 64.506 66.396 -1.890 2
1 1185 . 1 1 A 96 96 THR CB C 96 68.405 68.714 -0.309 2
1 1187 . 1 1 A 96 96 THR N N 96 113.841 116.361 -2.520 2
1 1188 . 1 1 A 97 97 THR H H 97 6.795 7.768 -0.973 2
1 1189 . 1 1 A 97 97 THR HA H 97 3.604 4.495 -0.891 2
1 1194 . 1 1 A 97 97 THR C C 97 171.959 176.395 -4.436 2
1 1195 . 1 1 A 97 97 THR CA C 97 61.209 63.247 -2.038 2
1 1196 . 1 1 A 97 97 THR CB C 97 67.962 69.479 -1.517 2
1 1198 . 1 1 A 97 97 THR N N 97 105.731 110.774 -5.043 2
1 1199 . 1 1 A 98 98 PHE H H 98 7.410 8.306 -0.896 2
1 1200 . 1 1 A 98 98 PHE HA H 98 4.220 4.109 0.111 2
1 1207 . 1 1 A 98 98 PHE C C 98 174.528 177.402 -2.874 2
1 1208 . 1 1 A 98 98 PHE CA C 98 61.879 61.668 0.211 2
1 1209 . 1 1 A 98 98 PHE CB C 98 38.875 39.222 -0.347 2
1 1214 . 1 1 A 98 98 PHE N N 98 126.402 123.620 2.782 2
1 1215 . 1 1 A 99 99 LYS H H 99 9.459 8.041 1.418 2
1 1216 . 1 1 A 99 99 LYS HA H 99 4.089 3.420 0.669 2
1 1225 . 1 1 A 99 99 LYS CA C 99 60.763 61.212 -0.449 2
1 1226 . 1 1 A 99 99 LYS CB C 99 28.635 30.997 -2.362 2
1 1230 . 1 1 A 99 99 LYS N N 99 121.490 117.554 3.936 2
1 1231 . 1 1 A 100 100 PRO HA H 100 4.922 4.579 0.343 2
1 1238 . 1 1 A 100 100 PRO C C 100 177.314 179.015 -1.701 2
1 1239 . 1 1 A 100 100 PRO CA C 100 66.173 65.436 0.737 2
1 1240 . 1 1 A 100 100 PRO CB C 100 31.535 30.792 0.743 2
1 1243 . 1 1 A 101 101 ASN H H 101 8.530 8.321 0.209 2
1 1244 . 1 1 A 101 101 ASN HA H 101 5.244 4.506 0.738 2
1 1249 . 1 1 A 101 101 ASN C C 101 175.204 177.797 -2.593 2
1 1250 . 1 1 A 101 101 ASN CA C 101 54.555 55.857 -1.302 2
1 1251 . 1 1 A 101 101 ASN CB C 101 36.187 38.041 -1.854 2
1 1252 . 1 1 A 101 101 ASN N N 101 115.238 115.964 -0.726 2
1 1254 . 1 1 A 102 102 THR H H 102 8.488 7.887 0.601 2
1 1255 . 1 1 A 102 102 THR HA H 102 4.184 3.959 0.225 2
1 1260 . 1 1 A 102 102 THR C C 102 171.472 176.710 -5.238 2
1 1261 . 1 1 A 102 102 THR CA C 102 67.543 65.468 2.075 2
1 1262 . 1 1 A 102 102 THR CB C 102 67.001 68.077 -1.076 2
1 1264 . 1 1 A 102 102 THR N N 102 120.254 111.968 8.286 2
1 1265 . 1 1 A 103 103 TRP H H 103 7.283 7.708 -0.425 2
1 1266 . 1 1 A 103 103 TRP HA H 103 3.986 4.324 -0.338 2
1 1275 . 1 1 A 103 103 TRP C C 103 175.800 178.161 -2.361 2
1 1276 . 1 1 A 103 103 TRP CA C 103 60.856 59.724 1.132 2
1 1277 . 1 1 A 103 103 TRP CB C 103 27.948 28.841 -0.893 2
1 1283 . 1 1 A 103 103 TRP N N 103 121.763 121.292 0.471 2
1 1285 . 1 1 A 104 104 CYS H H 104 8.233 7.852 0.381 2
1 1286 . 1 1 A 104 104 CYS HA H 104 4.272 4.131 0.141 2
1 1289 . 1 1 A 104 104 CYS C C 104 176.259 176.875 -0.616 2
1 1290 . 1 1 A 104 104 CYS CA C 104 65.226 62.153 3.073 2
1 1291 . 1 1 A 104 104 CYS CB C 104 26.949 27.064 -0.115 2
1 1292 . 1 1 A 104 104 CYS N N 104 118.046 118.942 -0.896 2
1 1293 . 1 1 A 105 105 LEU H H 105 8.726 8.014 0.712 2
1 1294 . 1 1 A 105 105 LEU HA H 105 4.000 3.964 0.036 2
1 1304 . 1 1 A 105 105 LEU C C 105 176.205 178.808 -2.603 2
1 1305 . 1 1 A 105 105 LEU CA C 105 57.810 57.792 0.018 2
1 1306 . 1 1 A 105 105 LEU CB C 105 40.484 41.389 -0.905 2
1 1310 . 1 1 A 105 105 LEU N N 105 120.557 121.054 -0.497 2
1 1311 . 1 1 A 106 106 ARG H H 106 6.990 7.852 -0.862 2
1 1312 . 1 1 A 106 106 ARG HA H 106 2.054 2.538 -0.484 2
1 1319 . 1 1 A 106 106 ARG C C 106 177.179 177.629 -0.450 2
1 1320 . 1 1 A 106 106 ARG CA C 106 57.405 57.924 -0.519 2
1 1321 . 1 1 A 106 106 ARG CB C 106 29.269 29.398 -0.129 2
1 1324 . 1 1 A 106 106 ARG N N 106 118.050 117.854 0.196 2
1 1325 . 1 1 A 107 107 CYS H H 107 7.623 7.805 -0.182 2
1 1326 . 1 1 A 107 107 CYS HA H 107 4.031 4.339 -0.308 2
1 1329 . 1 1 A 107 107 CYS C C 107 172.337 176.486 -4.149 2
1 1330 . 1 1 A 107 107 CYS CA C 107 63.291 61.581 1.710 2
1 1331 . 1 1 A 107 107 CYS CB C 107 26.214 27.466 -1.252 2
1 1332 . 1 1 A 107 107 CYS N N 107 117.028 118.477 -1.449 2
1 1333 . 1 1 A 108 108 LEU H H 108 7.484 7.543 -0.059 2
1 1334 . 1 1 A 108 108 LEU HA H 108 4.159 4.200 -0.041 2
1 1344 . 1 1 A 108 108 LEU C C 108 174.582 177.401 -2.819 2
1 1345 . 1 1 A 108 108 LEU CA C 108 54.203 55.912 -1.709 2
1 1346 . 1 1 A 108 108 LEU CB C 108 41.621 42.233 -0.612 2
1 1350 . 1 1 A 108 108 LEU N N 108 117.680 118.213 -0.533 2
1 1351 . 1 1 A 109 109 TRP H H 109 7.427 7.644 -0.217 2
1 1352 . 1 1 A 109 109 TRP HA H 109 4.828 5.017 -0.189 2
1 1361 . 1 1 A 109 109 TRP C C 109 173.176 176.530 -3.354 2
1 1362 . 1 1 A 109 109 TRP CA C 109 56.353 58.314 -1.961 2
1 1363 . 1 1 A 109 109 TRP CB C 109 29.743 30.341 -0.598 2
1 1369 . 1 1 A 109 109 TRP N N 109 119.087 120.936 -1.849 2
1 1371 . 1 1 A 110 110 SER H H 110 8.199 8.846 -0.647 2
1 1372 . 1 1 A 110 110 SER HA H 110 4.688 4.974 -0.286 2
1 1375 . 1 1 A 110 110 SER C C 110 171.769 173.793 -2.024 2
1 1376 . 1 1 A 110 110 SER CA C 110 56.324 57.472 -1.148 2
1 1377 . 1 1 A 110 110 SER CB C 110 64.513 64.935 -0.422 2
1 1378 . 1 1 A 110 110 SER N N 110 115.602 118.031 -2.429 2
1 1379 . 1 1 A 111 111 THR H H 111 8.268 8.599 -0.331 2
1 1380 . 1 1 A 111 111 THR HA H 111 4.425 4.674 -0.249 2
1 1385 . 1 1 A 111 111 THR C C 111 171.526 173.877 -2.351 2
1 1386 . 1 1 A 111 111 THR CA C 111 60.861 61.387 -0.526 2
1 1387 . 1 1 A 111 111 THR CB C 111 69.202 69.641 -0.439 2
1 1389 . 1 1 A 111 111 THR N N 111 114.394 115.860 -1.466 2
1 1390 . 1 1 A 112 112 LYS H H 112 8.240 8.536 -0.296 2
1 1391 . 1 1 A 112 112 LYS HA H 112 4.530 4.566 -0.036 2
1 1400 . 1 1 A 112 112 LYS CA C 112 53.768 54.535 -0.767 2
1 1401 . 1 1 A 112 112 LYS CB C 112 32.067 33.319 -1.252 2
1 1405 . 1 1 A 112 112 LYS N N 112 125.207 124.138 1.069 2
1 1406 . 1 1 A 113 113 PRO HA H 113 4.380 4.630 -0.250 2
1 1413 . 1 1 A 113 113 PRO C C 113 174.095 176.289 -2.194 2
1 1414 . 1 1 A 113 113 PRO CA C 113 62.381 62.740 -0.359 2
1 1415 . 1 1 A 113 113 PRO CB C 113 31.408 32.433 -1.025 2
1 1418 . 1 1 A 114 114 VAL H H 114 8.195 8.491 -0.296 2
1 1419 . 1 1 A 114 114 VAL HA H 114 4.029 4.292 -0.263 2
1 1427 . 1 1 A 114 114 VAL C C 114 173.122 175.376 -2.254 2
1 1428 . 1 1 A 114 114 VAL CA C 114 61.335 61.479 -0.144 2
1 1429 . 1 1 A 114 114 VAL CB C 114 32.153 31.814 0.339 2
1 1432 . 1 1 A 114 114 VAL N N 114 120.113 120.647 -0.534 2
1 1433 . 1 1 A 115 115 ASP H H 115 8.345 8.368 -0.023 2
1 1434 . 1 1 A 115 115 ASP HA H 115 4.592 4.564 0.028 2
1 1437 . 1 1 A 115 115 ASP C C 115 172.608 175.650 -3.042 2
1 1438 . 1 1 A 115 115 ASP CA C 115 53.202 54.899 -1.697 2
1 1439 . 1 1 A 115 115 ASP CB C 115 40.552 40.879 -0.327 2
1 1440 . 1 1 A 115 115 ASP N N 115 123.853 123.981 -0.128 2
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