data_10277_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10277
_Entry.PDB_ID 2D9U
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 6 6 SER HA H 6 4.501 5.323 -0.822 1
1 4 . 1 1 1 A 6 6 SER C C 6 175.089 174.342 0.747 1
1 5 . 1 1 1 A 6 6 SER CA C 6 58.675 57.030 1.645 1
1 6 . 1 1 1 A 6 6 SER CB C 6 63.909 64.132 -0.223 1
1 7 . 1 1 1 A 7 7 GLY H H 7 8.374 8.501 -0.127 1
1 8 . 1 1 1 A 7 7 GLY HA2 H 7 3.966 4.085 -0.119 1
1 9 . 1 1 1 A 7 7 GLY HA3 H 7 3.966 4.089 -0.123 1
1 10 . 1 1 1 A 7 7 GLY C C 7 174.147 174.233 -0.086 1
1 11 . 1 1 1 A 7 7 GLY CA C 7 45.359 45.426 -0.067 1
1 12 . 1 1 1 A 7 7 GLY N N 7 110.638 112.273 -1.635 1
1 13 . 1 1 1 A 8 8 GLU H H 8 8.255 7.896 0.359 1
1 14 . 1 1 1 A 8 8 GLU HA H 8 4.273 4.684 -0.411 1
1 19 . 1 1 1 A 8 8 GLU C C 8 176.471 175.290 1.181 1
1 20 . 1 1 1 A 8 8 GLU CA C 8 56.582 55.398 1.184 1
1 21 . 1 1 1 A 8 8 GLU CB C 8 30.299 31.654 -1.355 1
1 23 . 1 1 1 A 8 8 GLU N N 8 120.542 118.860 1.682 1
1 24 . 1 1 1 A 9 9 GLN H H 9 8.397 8.632 -0.235 1
1 25 . 1 1 1 A 9 9 GLN HA H 9 4.332 5.046 -0.714 1
1 32 . 1 1 1 A 9 9 GLN C C 9 175.365 174.407 0.958 1
1 33 . 1 1 1 A 9 9 GLN CA C 9 55.668 54.808 0.860 1
1 34 . 1 1 1 A 9 9 GLN CB C 9 29.560 32.137 -2.577 1
1 36 . 1 1 1 A 9 9 GLN N N 9 121.410 121.960 -0.550 1
1 38 . 1 1 1 A 10 10 VAL H H 10 8.104 8.787 -0.683 1
1 39 . 1 1 1 A 10 10 VAL HA H 10 4.054 4.802 -0.748 1
1 47 . 1 1 1 A 10 10 VAL C C 10 175.736 174.694 1.042 1
1 48 . 1 1 1 A 10 10 VAL CA C 10 62.334 59.002 3.332 1
1 49 . 1 1 1 A 10 10 VAL CB C 10 33.136 35.059 -1.923 1
1 52 . 1 1 1 A 10 10 VAL N N 10 121.590 120.992 0.598 1
1 53 . 1 1 1 A 11 11 PHE H H 11 8.491 8.426 0.065 1
1 54 . 1 1 1 A 11 11 PHE HA H 11 4.696 4.274 0.422 1
1 62 . 1 1 1 A 11 11 PHE C C 11 174.477 175.669 -1.192 1
1 63 . 1 1 1 A 11 11 PHE CA C 11 57.444 58.055 -0.611 1
1 64 . 1 1 1 A 11 11 PHE CB C 11 39.467 39.032 0.435 1
1 70 . 1 1 1 A 11 11 PHE N N 11 125.302 121.516 3.786 1
1 71 . 1 1 1 A 12 12 ALA H H 12 9.203 8.942 0.261 1
1 72 . 1 1 1 A 12 12 ALA HA H 12 4.866 5.035 -0.169 1
1 76 . 1 1 1 A 12 12 ALA C C 12 176.813 176.374 0.439 1
1 77 . 1 1 1 A 12 12 ALA CA C 12 51.252 50.950 0.302 1
1 78 . 1 1 1 A 12 12 ALA CB C 12 20.719 20.314 0.405 1
1 79 . 1 1 1 A 12 12 ALA N N 12 127.219 125.262 1.957 1
1 80 . 1 1 1 A 13 13 ALA H H 13 8.891 9.076 -0.185 1
1 81 . 1 1 1 A 13 13 ALA HA H 13 3.874 4.041 -0.167 1
1 85 . 1 1 1 A 13 13 ALA C C 13 176.194 177.219 -1.025 1
1 86 . 1 1 1 A 13 13 ALA CA C 13 53.380 51.946 1.434 1
1 87 . 1 1 1 A 13 13 ALA CB C 13 19.448 18.372 1.076 1
1 88 . 1 1 1 A 13 13 ALA N N 13 126.618 128.207 -1.589 1
1 89 . 1 1 1 A 14 14 GLU H H 14 9.604 9.053 0.551 1
1 90 . 1 1 1 A 14 14 GLU HA H 14 4.336 4.074 0.262 1
1 95 . 1 1 1 A 14 14 GLU C C 14 176.093 175.990 0.103 1
1 96 . 1 1 1 A 14 14 GLU CA C 14 57.356 59.481 -2.125 1
1 97 . 1 1 1 A 14 14 GLU CB C 14 32.273 30.420 1.853 1
1 99 . 1 1 1 A 14 14 GLU N N 14 123.285 124.248 -0.963 1
1 100 . 1 1 1 A 15 15 CYS H H 15 7.655 7.501 0.154 1
1 101 . 1 1 1 A 15 15 CYS HA H 15 4.527 4.567 -0.040 1
1 104 . 1 1 1 A 15 15 CYS C C 15 171.003 172.776 -1.773 1
1 105 . 1 1 1 A 15 15 CYS CA C 15 56.674 58.407 -1.733 1
1 106 . 1 1 1 A 15 15 CYS CB C 15 29.765 30.815 -1.050 1
1 107 . 1 1 1 A 15 15 CYS N N 15 110.806 116.273 -5.467 1
1 108 . 1 1 1 A 16 16 ILE H H 16 8.316 8.645 -0.329 1
1 109 . 1 1 1 A 16 16 ILE HA H 16 4.344 3.997 0.347 1
1 119 . 1 1 1 A 16 16 ILE C C 16 175.432 175.503 -0.071 1
1 120 . 1 1 1 A 16 16 ILE CA C 16 60.047 61.478 -1.431 1
1 121 . 1 1 1 A 16 16 ILE CB C 16 39.308 37.246 2.062 1
1 125 . 1 1 1 A 16 16 ILE N N 16 121.665 125.095 -3.430 1
1 126 . 1 1 1 A 17 17 LEU H H 17 9.207 9.163 0.044 1
1 127 . 1 1 1 A 17 17 LEU HA H 17 4.425 4.389 0.036 1
1 137 . 1 1 1 A 17 17 LEU C C 17 177.573 176.359 1.214 1
1 138 . 1 1 1 A 17 17 LEU CA C 17 55.825 55.835 -0.010 1
1 139 . 1 1 1 A 17 17 LEU CB C 17 44.400 42.457 1.943 1
1 143 . 1 1 1 A 17 17 LEU N N 17 124.728 129.560 -4.832 1
1 144 . 1 1 1 A 18 18 SER H H 18 7.082 7.354 -0.272 1
1 145 . 1 1 1 A 18 18 SER HA H 18 4.778 4.904 -0.126 1
1 148 . 1 1 1 A 18 18 SER C C 18 171.685 172.254 -0.569 1
1 149 . 1 1 1 A 18 18 SER CA C 18 57.075 56.800 0.275 1
1 150 . 1 1 1 A 18 18 SER CB C 18 64.550 65.447 -0.897 1
1 151 . 1 1 1 A 18 18 SER N N 18 110.441 109.644 0.797 1
1 152 . 1 1 1 A 19 19 LYS H H 19 8.745 9.201 -0.456 1
1 153 . 1 1 1 A 19 19 LYS HA H 19 5.836 5.837 -0.001 1
1 162 . 1 1 1 A 19 19 LYS C C 19 174.068 174.705 -0.637 1
1 163 . 1 1 1 A 19 19 LYS CA C 19 54.770 54.509 0.261 1
1 164 . 1 1 1 A 19 19 LYS CB C 19 37.493 37.264 0.229 1
1 168 . 1 1 1 A 19 19 LYS N N 19 120.354 119.719 0.635 1
1 169 . 1 1 1 A 20 20 ARG H H 20 9.264 9.201 0.063 1
1 170 . 1 1 1 A 20 20 ARG HA H 20 4.703 5.125 -0.422 1
1 178 . 1 1 1 A 20 20 ARG C C 20 171.618 173.631 -2.013 1
1 179 . 1 1 1 A 20 20 ARG CA C 20 54.471 54.363 0.108 1
1 180 . 1 1 1 A 20 20 ARG CB C 20 32.578 34.242 -1.664 1
1 183 . 1 1 1 A 20 20 ARG N N 20 119.809 119.429 0.380 1
1 185 . 1 1 1 A 21 21 LEU H H 21 8.286 8.700 -0.414 1
1 186 . 1 1 1 A 21 21 LEU HA H 21 4.927 5.542 -0.615 1
1 196 . 1 1 1 A 21 21 LEU C C 21 176.880 174.497 2.383 1
1 197 . 1 1 1 A 21 21 LEU CA C 21 53.433 53.570 -0.137 1
1 198 . 1 1 1 A 21 21 LEU CB C 21 43.905 46.759 -2.854 1
1 202 . 1 1 1 A 21 21 LEU N N 21 121.552 121.876 -0.324 1
1 203 . 1 1 1 A 22 22 ARG H H 22 9.146 8.771 0.375 1
1 204 . 1 1 1 A 22 22 ARG HA H 22 4.434 4.436 -0.002 1
1 211 . 1 1 1 A 22 22 ARG C C 22 175.379 175.461 -0.082 1
1 212 . 1 1 1 A 22 22 ARG CA C 22 55.468 55.972 -0.504 1
1 213 . 1 1 1 A 22 22 ARG CB C 22 33.049 33.095 -0.046 1
1 216 . 1 1 1 A 22 22 ARG N N 22 126.472 125.024 1.448 1
1 217 . 1 1 1 A 23 23 LYS H H 23 9.505 9.394 0.111 1
1 218 . 1 1 1 A 23 23 LYS HA H 23 3.839 3.900 -0.061 1
1 227 . 1 1 1 A 23 23 LYS C C 23 176.521 175.819 0.702 1
1 228 . 1 1 1 A 23 23 LYS CA C 23 57.127 57.179 -0.052 1
1 229 . 1 1 1 A 23 23 LYS CB C 23 29.988 31.172 -1.184 1
1 233 . 1 1 1 A 24 24 GLY H H 24 8.438 8.662 -0.224 1
1 234 . 1 1 1 A 24 24 GLY HA2 H 24 4.124 3.890 0.234 1
1 235 . 1 1 1 A 24 24 GLY HA3 H 24 3.517 3.893 -0.376 1
1 236 . 1 1 1 A 24 24 GLY C C 24 173.338 173.676 -0.338 1
1 237 . 1 1 1 A 24 24 GLY CA C 24 45.481 46.123 -0.642 1
1 238 . 1 1 1 A 24 24 GLY N N 24 103.048 105.028 -1.980 1
1 239 . 1 1 1 A 25 25 LYS H H 25 7.785 7.906 -0.121 1
1 240 . 1 1 1 A 25 25 LYS HA H 25 4.635 4.833 -0.198 1
1 249 . 1 1 1 A 25 25 LYS C C 25 174.733 174.410 0.323 1
1 250 . 1 1 1 A 25 25 LYS CA C 25 54.365 54.231 0.134 1
1 251 . 1 1 1 A 25 25 LYS CB C 25 34.616 35.579 -0.963 1
1 255 . 1 1 1 A 25 25 LYS N N 25 121.463 119.464 1.999 1
1 256 . 1 1 1 A 26 26 LEU H H 26 8.555 8.782 -0.227 1
1 257 . 1 1 1 A 26 26 LEU HA H 26 4.763 4.945 -0.182 1
1 267 . 1 1 1 A 26 26 LEU C C 26 176.596 174.557 2.039 1
1 268 . 1 1 1 A 26 26 LEU CA C 26 54.999 53.997 1.002 1
1 269 . 1 1 1 A 26 26 LEU CB C 26 43.167 43.705 -0.538 1
1 273 . 1 1 1 A 26 26 LEU N N 26 124.731 125.006 -0.275 1
1 274 . 1 1 1 A 27 27 GLU H H 27 8.944 9.280 -0.336 1
1 275 . 1 1 1 A 27 27 GLU HA H 27 4.923 4.820 0.103 1
1 280 . 1 1 1 A 27 27 GLU C C 27 174.422 174.807 -0.385 1
1 281 . 1 1 1 A 27 27 GLU CA C 27 53.874 54.614 -0.740 1
1 282 . 1 1 1 A 27 27 GLU CB C 27 35.191 32.970 2.221 1
1 284 . 1 1 1 A 27 27 GLU N N 27 122.189 125.885 -3.696 1
1 285 . 1 1 1 A 28 28 TYR H H 28 9.423 9.656 -0.233 1
1 286 . 1 1 1 A 28 28 TYR HA H 28 5.265 5.076 0.189 1
1 293 . 1 1 1 A 28 28 TYR C C 28 174.020 174.601 -0.581 1
1 294 . 1 1 1 A 28 28 TYR CA C 28 56.511 56.266 0.245 1
1 295 . 1 1 1 A 28 28 TYR CB C 28 41.646 41.062 0.584 1
1 300 . 1 1 1 A 28 28 TYR N N 28 118.361 122.180 -3.819 1
1 301 . 1 1 1 A 29 29 LEU H H 29 7.779 8.669 -0.890 1
1 302 . 1 1 1 A 29 29 LEU HA H 29 3.634 3.433 0.201 1
1 312 . 1 1 1 A 29 29 LEU C C 29 173.992 174.392 -0.400 1
1 313 . 1 1 1 A 29 29 LEU CA C 29 53.680 53.898 -0.218 1
1 314 . 1 1 1 A 29 29 LEU CB C 29 40.115 41.584 -1.469 1
1 318 . 1 1 1 A 29 29 LEU N N 29 127.541 126.366 1.175 1
1 319 . 1 1 1 A 30 30 VAL H H 30 8.936 7.938 0.998 1
1 320 . 1 1 1 A 30 30 VAL HA H 30 3.915 3.915 0.000 1
1 328 . 1 1 1 A 30 30 VAL C C 30 173.840 174.194 -0.354 1
1 329 . 1 1 1 A 30 30 VAL CA C 30 62.106 61.675 0.431 1
1 330 . 1 1 1 A 30 30 VAL CB C 30 34.458 32.050 2.408 1
1 333 . 1 1 1 A 30 30 VAL N N 30 130.095 127.819 2.276 1
1 334 . 1 1 1 A 31 31 LYS H H 31 7.596 8.006 -0.410 1
1 335 . 1 1 1 A 31 31 LYS HA H 31 4.525 4.454 0.071 1
1 344 . 1 1 1 A 31 31 LYS C C 31 175.379 174.624 0.755 1
1 345 . 1 1 1 A 31 31 LYS CA C 31 53.574 54.453 -0.879 1
1 346 . 1 1 1 A 31 31 LYS CB C 31 34.848 34.142 0.706 1
1 350 . 1 1 1 A 31 31 LYS N N 31 123.992 126.724 -2.732 1
1 351 . 1 1 1 A 32 32 TRP H H 32 9.368 8.535 0.833 1
1 352 . 1 1 1 A 32 32 TRP HA H 32 4.816 5.278 -0.462 1
1 361 . 1 1 1 A 32 32 TRP C C 32 176.830 176.223 0.607 1
1 362 . 1 1 1 A 32 32 TRP CA C 32 56.002 56.724 -0.722 1
1 363 . 1 1 1 A 32 32 TRP CB C 32 31.163 30.972 0.191 1
1 369 . 1 1 1 A 32 32 TRP N N 32 131.754 128.544 3.210 1
1 371 . 1 1 1 A 33 33 ARG H H 33 9.455 8.398 1.057 1
1 372 . 1 1 1 A 33 33 ARG HA H 33 4.345 3.797 0.548 1
1 379 . 1 1 1 A 33 33 ARG C C 33 178.092 177.213 0.879 1
1 380 . 1 1 1 A 33 33 ARG CA C 33 57.590 58.462 -0.872 1
1 381 . 1 1 1 A 33 33 ARG CB C 33 30.400 30.162 0.238 1
1 384 . 1 1 1 A 33 33 ARG N N 33 124.374 124.440 -0.066 1
1 385 . 1 1 1 A 34 34 GLY H H 34 9.319 8.885 0.434 1
1 386 . 1 1 1 A 34 34 GLY HA2 H 34 3.642 3.745 -0.103 1
1 387 . 1 1 1 A 34 34 GLY HA3 H 34 3.976 3.874 0.102 1
1 388 . 1 1 1 A 34 34 GLY CA C 34 45.636 45.196 0.440 1
1 389 . 1 1 1 A 34 34 GLY N N 34 114.254 111.765 2.489 1
1 390 . 1 1 1 A 35 35 TRP H H 35 7.725 7.473 0.252 1
1 391 . 1 1 1 A 35 35 TRP HA H 35 4.785 4.635 0.150 1
1 400 . 1 1 1 A 35 35 TRP CA C 35 55.641 57.355 -1.714 1
1 401 . 1 1 1 A 35 35 TRP CB C 35 31.352 30.212 1.140 1
1 407 . 1 1 1 A 35 35 TRP N N 35 120.008 121.307 -1.299 1
1 409 . 1 1 1 A 36 36 SER H H 36 8.785 8.969 -0.184 1
1 410 . 1 1 1 A 36 36 SER HA H 36 4.587 4.859 -0.272 1
1 413 . 1 1 1 A 36 36 SER CA C 36 58.364 56.027 2.337 1
1 414 . 1 1 1 A 36 36 SER CB C 36 64.741 65.885 -1.144 1
1 415 . 1 1 1 A 36 36 SER N N 36 117.243 117.258 -0.015 1
1 416 . 1 1 1 A 37 37 SER HA H 37 4.491 4.211 0.280 1
1 419 . 1 1 1 A 37 37 SER CA C 37 60.248 62.019 -1.771 1
1 420 . 1 1 1 A 37 37 SER CB C 37 63.340 62.520 0.820 1
1 421 . 1 1 1 A 38 38 LYS HA H 38 4.155 4.126 0.029 1
1 430 . 1 1 1 A 38 38 LYS CA C 38 58.001 58.850 -0.849 1
1 431 . 1 1 1 A 38 38 LYS CB C 38 32.378 32.456 -0.078 1
1 435 . 1 1 1 A 39 39 HIS H H 39 8.245 7.922 0.323 1
1 436 . 1 1 1 A 39 39 HIS HA H 39 4.460 4.251 0.209 1
1 441 . 1 1 1 A 39 39 HIS CA C 39 56.031 59.440 -3.409 1
1 442 . 1 1 1 A 39 39 HIS CB C 39 30.068 30.735 -0.667 1
1 445 . 1 1 1 A 39 39 HIS N N 39 117.908 116.738 1.170 1
1 446 . 1 1 1 A 40 40 ASN H H 40 7.746 8.076 -0.330 1
1 447 . 1 1 1 A 40 40 ASN HA H 40 5.176 4.682 0.494 1
1 452 . 1 1 1 A 40 40 ASN C C 40 176.114 175.012 1.102 1
1 453 . 1 1 1 A 40 40 ASN CA C 40 54.102 54.241 -0.139 1
1 454 . 1 1 1 A 40 40 ASN CB C 40 37.123 38.818 -1.695 1
1 455 . 1 1 1 A 40 40 ASN N N 40 121.018 117.866 3.152 1
1 457 . 1 1 1 A 41 41 SER H H 41 8.492 8.697 -0.205 1
1 458 . 1 1 1 A 41 41 SER HA H 41 4.866 5.097 -0.231 1
1 461 . 1 1 1 A 41 41 SER C C 41 172.479 173.168 -0.689 1
1 462 . 1 1 1 A 41 41 SER CA C 41 57.145 57.433 -0.288 1
1 463 . 1 1 1 A 41 41 SER CB C 41 66.057 66.057 0.000 1
1 464 . 1 1 1 A 41 41 SER N N 41 115.675 115.021 0.654 1
1 465 . 1 1 1 A 42 42 TRP H H 42 8.604 9.138 -0.534 1
1 466 . 1 1 1 A 42 42 TRP HA H 42 4.980 5.087 -0.107 1
1 475 . 1 1 1 A 42 42 TRP C C 42 177.025 176.110 0.915 1
1 476 . 1 1 1 A 42 42 TRP CA C 42 56.477 56.331 0.146 1
1 477 . 1 1 1 A 42 42 TRP CB C 42 29.625 30.097 -0.472 1
1 483 . 1 1 1 A 42 42 TRP N N 42 123.109 125.787 -2.678 1
1 485 . 1 1 1 A 43 43 GLU H H 43 9.916 8.687 1.229 1
1 486 . 1 1 1 A 43 43 GLU HA H 43 5.225 4.886 0.339 1
1 491 . 1 1 1 A 43 43 GLU C C 43 174.192 174.054 0.138 1
1 492 . 1 1 1 A 43 43 GLU CA C 43 52.230 53.125 -0.895 1
1 493 . 1 1 1 A 43 43 GLU CB C 43 32.537 30.820 1.717 1
1 495 . 1 1 1 A 43 43 GLU N N 43 125.182 124.509 0.673 1
1 496 . 1 1 1 A 44 44 PRO HA H 44 4.934 4.957 -0.023 1
1 503 . 1 1 1 A 44 44 PRO C C 44 177.782 177.633 0.149 1
1 504 . 1 1 1 A 44 44 PRO CA C 44 62.525 62.558 -0.033 1
1 505 . 1 1 1 A 44 44 PRO CB C 44 32.730 32.562 0.168 1
1 508 . 1 1 1 A 45 45 GLU H H 45 8.637 8.863 -0.226 1
1 509 . 1 1 1 A 45 45 GLU HA H 45 3.965 4.171 -0.206 1
1 514 . 1 1 1 A 45 45 GLU C C 45 177.990 178.586 -0.596 1
1 515 . 1 1 1 A 45 45 GLU CA C 45 60.293 59.707 0.586 1
1 516 . 1 1 1 A 45 45 GLU CB C 45 30.235 29.742 0.493 1
1 518 . 1 1 1 A 45 45 GLU N N 45 120.441 123.152 -2.711 1
1 519 . 1 1 1 A 46 46 GLU H H 46 9.698 8.740 0.958 1
1 520 . 1 1 1 A 46 46 GLU HA H 46 4.243 4.113 0.130 1
1 525 . 1 1 1 A 46 46 GLU C C 46 176.547 178.141 -1.594 1
1 526 . 1 1 1 A 46 46 GLU CA C 46 58.693 58.631 0.062 1
1 527 . 1 1 1 A 46 46 GLU CB C 46 28.448 27.932 0.516 1
1 529 . 1 1 1 A 46 46 GLU N N 46 117.193 117.182 0.011 1
1 530 . 1 1 1 A 47 47 ASN H H 47 8.119 8.233 -0.114 1
1 531 . 1 1 1 A 47 47 ASN HA H 47 4.922 4.754 0.168 1
1 536 . 1 1 1 A 47 47 ASN C C 47 175.293 176.112 -0.819 1
1 537 . 1 1 1 A 47 47 ASN CA C 47 52.430 54.763 -2.333 1
1 538 . 1 1 1 A 47 47 ASN CB C 47 38.439 39.202 -0.763 1
1 539 . 1 1 1 A 47 47 ASN N N 47 118.023 116.636 1.387 1
1 541 . 1 1 1 A 48 48 ILE H H 48 7.695 7.408 0.287 1
1 542 . 1 1 1 A 48 48 ILE HA H 48 4.075 4.182 -0.107 1
1 552 . 1 1 1 A 48 48 ILE C C 48 175.029 175.570 -0.541 1
1 553 . 1 1 1 A 48 48 ILE CA C 48 59.749 61.871 -2.122 1
1 554 . 1 1 1 A 48 48 ILE CB C 48 35.109 37.101 -1.992 1
1 558 . 1 1 1 A 48 48 ILE N N 48 121.906 119.969 1.937 1
1 559 . 1 1 1 A 49 49 LEU H H 49 8.137 8.474 -0.337 1
1 560 . 1 1 1 A 49 49 LEU HA H 49 4.286 4.331 -0.045 1
1 570 . 1 1 1 A 49 49 LEU C C 49 176.808 177.117 -0.309 1
1 571 . 1 1 1 A 49 49 LEU CA C 49 55.748 56.910 -1.162 1
1 572 . 1 1 1 A 49 49 LEU CB C 49 42.088 43.035 -0.947 1
1 576 . 1 1 1 A 49 49 LEU N N 49 125.062 129.503 -4.441 1
1 577 . 1 1 1 A 50 50 ASP H H 50 7.284 7.883 -0.599 1
1 578 . 1 1 1 A 50 50 ASP HA H 50 5.077 4.818 0.259 1
1 581 . 1 1 1 A 50 50 ASP C C 50 174.968 175.906 -0.938 1
1 582 . 1 1 1 A 50 50 ASP CA C 50 50.443 52.173 -1.730 1
1 583 . 1 1 1 A 50 50 ASP CB C 50 41.822 40.538 1.284 1
1 584 . 1 1 1 A 50 50 ASP N N 50 118.019 118.325 -0.306 1
1 585 . 1 1 1 A 51 51 PRO HA H 51 4.258 4.284 -0.026 1
1 592 . 1 1 1 A 51 51 PRO C C 51 179.037 178.979 0.058 1
1 593 . 1 1 1 A 51 51 PRO CA C 51 64.372 65.131 -0.759 1
1 594 . 1 1 1 A 51 51 PRO CB C 51 32.382 31.967 0.415 1
1 597 . 1 1 1 A 52 52 ARG H H 52 8.253 8.434 -0.181 1
1 598 . 1 1 1 A 52 52 ARG HA H 52 3.995 4.041 -0.046 1
1 605 . 1 1 1 A 52 52 ARG C C 52 179.774 178.914 0.860 1
1 606 . 1 1 1 A 52 52 ARG CA C 52 59.255 59.346 -0.091 1
1 607 . 1 1 1 A 52 52 ARG CB C 52 29.608 29.970 -0.362 1
1 610 . 1 1 1 A 52 52 ARG N N 52 117.657 118.967 -1.310 1
1 611 . 1 1 1 A 53 53 LEU H H 53 7.576 7.986 -0.410 1
1 612 . 1 1 1 A 53 53 LEU HA H 53 4.043 3.898 0.145 1
1 622 . 1 1 1 A 53 53 LEU C C 53 180.197 178.954 1.243 1
1 623 . 1 1 1 A 53 53 LEU CA C 53 57.620 57.680 -0.060 1
1 624 . 1 1 1 A 53 53 LEU CB C 53 42.080 41.886 0.194 1
1 628 . 1 1 1 A 53 53 LEU N N 53 118.887 120.365 -1.478 1
1 629 . 1 1 1 A 54 54 LEU H H 54 7.185 8.130 -0.945 1
1 630 . 1 1 1 A 54 54 LEU HA H 54 3.966 3.703 0.263 1
1 640 . 1 1 1 A 54 54 LEU C C 54 178.631 179.104 -0.473 1
1 641 . 1 1 1 A 54 54 LEU CA C 54 57.549 57.937 -0.388 1
1 642 . 1 1 1 A 54 54 LEU CB C 54 41.646 41.855 -0.209 1
1 646 . 1 1 1 A 54 54 LEU N N 54 119.814 117.535 2.279 1
1 647 . 1 1 1 A 55 55 LEU H H 55 7.791 8.359 -0.568 1
1 648 . 1 1 1 A 55 55 LEU HA H 55 4.132 3.866 0.266 1
1 658 . 1 1 1 A 55 55 LEU C C 55 179.501 178.648 0.853 1
1 659 . 1 1 1 A 55 55 LEU CA C 55 58.007 58.183 -0.176 1
1 660 . 1 1 1 A 55 55 LEU CB C 55 41.523 41.556 -0.033 1
1 664 . 1 1 1 A 55 55 LEU N N 55 120.290 118.123 2.167 1
1 665 . 1 1 1 A 56 56 ALA H H 56 7.771 8.473 -0.702 1
1 666 . 1 1 1 A 56 56 ALA HA H 56 4.145 4.076 0.069 1
1 670 . 1 1 1 A 56 56 ALA C C 56 180.157 180.211 -0.054 1
1 671 . 1 1 1 A 56 56 ALA CA C 56 54.963 55.307 -0.344 1
1 672 . 1 1 1 A 56 56 ALA CB C 56 18.232 18.579 -0.347 1
1 673 . 1 1 1 A 56 56 ALA N N 56 119.874 120.330 -0.456 1
1 674 . 1 1 1 A 57 57 PHE H H 57 7.526 7.599 -0.073 1
1 675 . 1 1 1 A 57 57 PHE HA H 57 4.451 4.124 0.327 1
1 683 . 1 1 1 A 57 57 PHE C C 57 176.838 177.405 -0.567 1
1 684 . 1 1 1 A 57 57 PHE CA C 57 60.822 61.297 -0.475 1
1 685 . 1 1 1 A 57 57 PHE CB C 57 39.878 39.169 0.709 1
1 691 . 1 1 1 A 57 57 PHE N N 57 119.210 119.317 -0.107 1
1 692 . 1 1 1 A 58 58 GLN H H 58 8.415 8.642 -0.227 1
1 693 . 1 1 1 A 58 58 GLN HA H 58 3.874 3.951 -0.077 1
1 700 . 1 1 1 A 58 58 GLN C C 58 178.639 178.808 -0.169 1
1 701 . 1 1 1 A 58 58 GLN CA C 58 58.499 59.212 -0.713 1
1 702 . 1 1 1 A 58 58 GLN CB C 58 28.325 28.308 0.017 1
1 704 . 1 1 1 A 58 58 GLN N N 58 118.702 117.277 1.425 1
1 706 . 1 1 1 A 59 59 LYS H H 59 7.918 7.950 -0.032 1
1 707 . 1 1 1 A 59 59 LYS HA H 59 4.121 4.090 0.031 1
1 716 . 1 1 1 A 59 59 LYS C C 59 178.269 179.667 -1.398 1
1 717 . 1 1 1 A 59 59 LYS CA C 59 58.921 59.548 -0.627 1
1 718 . 1 1 1 A 59 59 LYS CB C 59 32.437 32.191 0.246 1
1 722 . 1 1 1 A 59 59 LYS N N 59 119.131 119.736 -0.605 1
1 723 . 1 1 1 A 60 60 LYS H H 60 7.595 7.665 -0.070 1
1 724 . 1 1 1 A 60 60 LYS HA H 60 4.133 4.319 -0.186 1
1 733 . 1 1 1 A 60 60 LYS C C 60 178.836 179.555 -0.719 1
1 734 . 1 1 1 A 60 60 LYS CA C 60 58.323 59.875 -1.552 1
1 735 . 1 1 1 A 60 60 LYS CB C 60 32.150 31.941 0.209 1
1 739 . 1 1 1 A 60 60 LYS N N 60 120.016 119.768 0.248 1
1 740 . 1 1 1 A 61 61 GLU H H 61 8.095 8.199 -0.104 1
1 741 . 1 1 1 A 61 61 GLU HA H 61 3.936 3.783 0.153 1
1 746 . 1 1 1 A 61 61 GLU C C 61 178.233 178.883 -0.650 1
1 747 . 1 1 1 A 61 61 GLU CA C 61 58.605 59.398 -0.793 1
1 748 . 1 1 1 A 61 61 GLU CB C 61 29.806 29.375 0.431 1
1 750 . 1 1 1 A 61 61 GLU N N 61 119.560 119.682 -0.122 1
1 751 . 1 1 1 A 62 62 HIS H H 62 8.037 8.104 -0.067 1
1 752 . 1 1 1 A 62 62 HIS HA H 62 4.517 4.062 0.455 1
1 757 . 1 1 1 A 62 62 HIS C C 62 176.449 176.647 -0.198 1
1 758 . 1 1 1 A 62 62 HIS CA C 62 57.740 59.964 -2.224 1
1 759 . 1 1 1 A 62 62 HIS CB C 62 29.928 29.698 0.230 1
1 762 . 1 1 1 A 62 62 HIS N N 62 118.437 119.639 -1.202 1
1 763 . 1 1 1 A 63 63 GLU H H 63 8.010 8.515 -0.505 1
1 764 . 1 1 1 A 63 63 GLU HA H 63 4.096 3.968 0.128 1
1 769 . 1 1 1 A 63 63 GLU C C 63 177.485 179.373 -1.888 1
1 770 . 1 1 1 A 63 63 GLU CA C 63 57.954 59.823 -1.869 1
1 771 . 1 1 1 A 63 63 GLU CB C 63 29.783 29.383 0.400 1
1 773 . 1 1 1 A 63 63 GLU N N 63 119.622 117.529 2.093 1
1 774 . 1 1 1 A 64 64 LYS H H 64 7.874 7.837 0.037 1
1 775 . 1 1 1 A 64 64 LYS HA H 64 4.213 4.116 0.097 1
1 784 . 1 1 1 A 64 64 LYS C C 64 177.341 177.271 0.070 1
1 785 . 1 1 1 A 64 64 LYS CA C 64 57.479 59.533 -2.054 1
1 786 . 1 1 1 A 64 64 LYS CB C 64 32.684 32.200 0.484 1
1 790 . 1 1 1 A 64 64 LYS N N 64 119.617 119.754 -0.137 1
1 791 . 1 1 1 A 65 65 GLU H H 65 8.044 7.488 0.556 1
1 792 . 1 1 1 A 65 65 GLU HA H 65 4.236 4.226 0.010 1
1 797 . 1 1 1 A 65 65 GLU C C 65 177.451 175.516 1.935 1
1 798 . 1 1 1 A 65 65 GLU CA C 65 57.426 56.511 0.915 1
1 799 . 1 1 1 A 65 65 GLU CB C 65 29.971 30.934 -0.963 1
1 801 . 1 1 1 A 65 65 GLU N N 65 120.606 118.369 2.237 1
1 802 . 1 1 1 A 66 66 VAL H H 66 8.028 8.492 -0.464 1
1 803 . 1 1 1 A 66 66 VAL HA H 66 4.035 4.178 -0.143 1
1 811 . 1 1 1 A 66 66 VAL C C 66 176.848 175.931 0.917 1
1 812 . 1 1 1 A 66 66 VAL CA C 66 63.160 63.316 -0.156 1
1 813 . 1 1 1 A 66 66 VAL CB C 66 32.396 33.893 -1.497 1
1 816 . 1 1 1 A 66 66 VAL N N 66 119.834 124.339 -4.505 1
1 817 . 1 1 1 A 67 67 GLN H H 67 8.265 7.822 0.443 1
1 818 . 1 1 1 A 67 67 GLN HA H 67 4.313 4.339 -0.026 1
1 825 . 1 1 1 A 67 67 GLN C C 67 176.073 176.166 -0.093 1
1 826 . 1 1 1 A 67 67 GLN CA C 67 56.283 56.415 -0.132 1
1 827 . 1 1 1 A 67 67 GLN CB C 67 29.216 29.173 0.043 1
1 829 . 1 1 1 A 67 67 GLN N N 67 122.698 120.513 2.185 1
1 831 . 1 1 1 A 68 68 ASN H H 68 8.391 8.780 -0.389 1
1 832 . 1 1 1 A 68 68 ASN HA H 68 4.782 4.832 -0.050 1
1 837 . 1 1 1 A 68 68 ASN C C 68 175.242 173.859 1.383 1
1 838 . 1 1 1 A 68 68 ASN CA C 68 53.487 52.978 0.509 1
1 839 . 1 1 1 A 68 68 ASN CB C 68 39.138 36.820 2.318 1
1 840 . 1 1 1 A 68 68 ASN N N 68 119.609 123.190 -3.581 1
1 842 . 1 1 1 A 69 69 SER H H 69 8.272 7.703 0.569 1
1 843 . 1 1 1 A 69 69 SER HA H 69 4.501 5.387 -0.886 1
1 846 . 1 1 1 A 69 69 SER C C 69 174.630 173.455 1.175 1
1 847 . 1 1 1 A 69 69 SER CA C 69 58.587 56.791 1.796 1
1 848 . 1 1 1 A 69 69 SER CB C 69 64.174 64.823 -0.649 1
1 849 . 1 1 1 A 69 69 SER N N 69 116.106 112.187 3.919 1
1 850 . 1 1 1 A 70 70 GLY H H 70 8.251 9.084 -0.833 1
1 851 . 1 1 1 A 70 70 GLY HA2 H 70 4.175 4.285 -0.110 1
1 852 . 1 1 1 A 70 70 GLY HA3 H 70 4.144 4.288 -0.144 1
1 853 . 1 1 1 A 70 70 GLY C C 70 171.843 172.151 -0.308 1
1 854 . 1 1 1 A 70 70 GLY CA C 70 44.709 43.679 1.030 1
1 855 . 1 1 1 A 70 70 GLY N N 70 110.658 111.605 -0.947 1
1 856 . 1 1 1 A 71 71 PRO HA H 71 4.501 4.753 -0.252 1
1 863 . 1 1 1 A 71 71 PRO C C 71 177.457 175.732 1.725 1
1 864 . 1 1 1 A 71 71 PRO CA C 71 63.300 62.828 0.472 1
1 865 . 1 1 1 A 71 71 PRO CB C 71 32.008 31.652 0.356 1
1 868 . 1 1 1 A 72 72 SER H H 72 8.536 8.567 -0.031 1
1 869 . 1 1 1 A 72 72 SER CA C 72 58.429 57.624 0.805 1
1 1 . 2 1 1 A 6 6 SER HA H 6 4.501 4.733 -0.232 1
1 4 . 2 1 1 A 6 6 SER C C 6 175.089 174.041 1.048 1
1 5 . 2 1 1 A 6 6 SER CA C 6 58.675 57.032 1.643 1
1 6 . 2 1 1 A 6 6 SER CB C 6 63.909 63.054 0.855 1
1 7 . 2 1 1 A 7 7 GLY H H 7 8.374 8.382 -0.008 1
1 8 . 2 1 1 A 7 7 GLY HA2 H 7 3.966 4.023 -0.057 1
1 9 . 2 1 1 A 7 7 GLY HA3 H 7 3.966 4.024 -0.058 1
1 10 . 2 1 1 A 7 7 GLY C C 7 174.147 173.697 0.450 1
1 11 . 2 1 1 A 7 7 GLY CA C 7 45.359 46.111 -0.752 1
1 12 . 2 1 1 A 7 7 GLY N N 7 110.638 113.929 -3.291 1
1 13 . 2 1 1 A 8 8 GLU H H 8 8.255 8.140 0.115 1
1 14 . 2 1 1 A 8 8 GLU HA H 8 4.273 4.674 -0.401 1
1 19 . 2 1 1 A 8 8 GLU C C 8 176.471 175.741 0.730 1
1 20 . 2 1 1 A 8 8 GLU CA C 8 56.582 55.705 0.877 1
1 21 . 2 1 1 A 8 8 GLU CB C 8 30.299 31.072 -0.773 1
1 23 . 2 1 1 A 8 8 GLU N N 8 120.542 118.921 1.621 1
1 24 . 2 1 1 A 9 9 GLN H H 9 8.397 8.293 0.104 1
1 25 . 2 1 1 A 9 9 GLN HA H 9 4.332 4.509 -0.177 1
1 32 . 2 1 1 A 9 9 GLN C C 9 175.365 175.328 0.037 1
1 33 . 2 1 1 A 9 9 GLN CA C 9 55.668 55.433 0.235 1
1 34 . 2 1 1 A 9 9 GLN CB C 9 29.560 29.865 -0.305 1
1 36 . 2 1 1 A 9 9 GLN N N 9 121.410 120.238 1.172 1
1 38 . 2 1 1 A 10 10 VAL H H 10 8.104 8.373 -0.269 1
1 39 . 2 1 1 A 10 10 VAL HA H 10 4.054 3.739 0.315 1
1 47 . 2 1 1 A 10 10 VAL C C 10 175.736 175.313 0.423 1
1 48 . 2 1 1 A 10 10 VAL CA C 10 62.334 63.041 -0.707 1
1 49 . 2 1 1 A 10 10 VAL CB C 10 33.136 31.701 1.435 1
1 52 . 2 1 1 A 10 10 VAL N N 10 121.590 123.978 -2.388 1
1 53 . 2 1 1 A 11 11 PHE H H 11 8.491 8.937 -0.446 1
1 54 . 2 1 1 A 11 11 PHE HA H 11 4.696 4.901 -0.205 1
1 62 . 2 1 1 A 11 11 PHE C C 11 174.477 175.227 -0.750 1
1 63 . 2 1 1 A 11 11 PHE CA C 11 57.444 56.958 0.486 1
1 64 . 2 1 1 A 11 11 PHE CB C 11 39.467 40.509 -1.042 1
1 70 . 2 1 1 A 11 11 PHE N N 11 125.302 127.637 -2.335 1
1 71 . 2 1 1 A 12 12 ALA H H 12 9.203 9.346 -0.143 1
1 72 . 2 1 1 A 12 12 ALA HA H 12 4.866 5.207 -0.341 1
1 76 . 2 1 1 A 12 12 ALA C C 12 176.813 175.848 0.965 1
1 77 . 2 1 1 A 12 12 ALA CA C 12 51.252 51.020 0.232 1
1 78 . 2 1 1 A 12 12 ALA CB C 12 20.719 20.547 0.172 1
1 79 . 2 1 1 A 12 12 ALA N N 12 127.219 127.072 0.147 1
1 80 . 2 1 1 A 13 13 ALA H H 13 8.891 9.015 -0.124 1
1 81 . 2 1 1 A 13 13 ALA HA H 13 3.874 3.938 -0.064 1
1 85 . 2 1 1 A 13 13 ALA C C 13 176.194 177.105 -0.911 1
1 86 . 2 1 1 A 13 13 ALA CA C 13 53.380 51.610 1.770 1
1 87 . 2 1 1 A 13 13 ALA CB C 13 19.448 18.113 1.335 1
1 88 . 2 1 1 A 13 13 ALA N N 13 126.618 128.017 -1.399 1
1 89 . 2 1 1 A 14 14 GLU H H 14 9.604 8.962 0.642 1
1 90 . 2 1 1 A 14 14 GLU HA H 14 4.336 4.104 0.232 1
1 95 . 2 1 1 A 14 14 GLU C C 14 176.093 175.844 0.249 1
1 96 . 2 1 1 A 14 14 GLU CA C 14 57.356 58.798 -1.442 1
1 97 . 2 1 1 A 14 14 GLU CB C 14 32.273 30.587 1.686 1
1 99 . 2 1 1 A 14 14 GLU N N 14 123.285 125.612 -2.327 1
1 100 . 2 1 1 A 15 15 CYS H H 15 7.655 7.476 0.179 1
1 101 . 2 1 1 A 15 15 CYS HA H 15 4.527 4.568 -0.041 1
1 104 . 2 1 1 A 15 15 CYS C C 15 171.003 172.842 -1.839 1
1 105 . 2 1 1 A 15 15 CYS CA C 15 56.674 58.148 -1.474 1
1 106 . 2 1 1 A 15 15 CYS CB C 15 29.765 30.798 -1.033 1
1 107 . 2 1 1 A 15 15 CYS N N 15 110.806 116.267 -5.461 1
1 108 . 2 1 1 A 16 16 ILE H H 16 8.316 8.669 -0.353 1
1 109 . 2 1 1 A 16 16 ILE HA H 16 4.344 3.962 0.382 1
1 119 . 2 1 1 A 16 16 ILE C C 16 175.432 175.344 0.088 1
1 120 . 2 1 1 A 16 16 ILE CA C 16 60.047 61.694 -1.647 1
1 121 . 2 1 1 A 16 16 ILE CB C 16 39.308 37.605 1.703 1
1 125 . 2 1 1 A 16 16 ILE N N 16 121.665 124.902 -3.237 1
1 126 . 2 1 1 A 17 17 LEU H H 17 9.207 9.053 0.154 1
1 127 . 2 1 1 A 17 17 LEU HA H 17 4.425 4.394 0.031 1
1 137 . 2 1 1 A 17 17 LEU C C 17 177.573 176.542 1.031 1
1 138 . 2 1 1 A 17 17 LEU CA C 17 55.825 55.890 -0.065 1
1 139 . 2 1 1 A 17 17 LEU CB C 17 44.400 42.518 1.882 1
1 143 . 2 1 1 A 17 17 LEU N N 17 124.728 129.403 -4.675 1
1 144 . 2 1 1 A 18 18 SER H H 18 7.082 7.518 -0.436 1
1 145 . 2 1 1 A 18 18 SER HA H 18 4.778 4.872 -0.094 1
1 148 . 2 1 1 A 18 18 SER C C 18 171.685 172.327 -0.642 1
1 149 . 2 1 1 A 18 18 SER CA C 18 57.075 56.778 0.297 1
1 150 . 2 1 1 A 18 18 SER CB C 18 64.550 65.679 -1.129 1
1 151 . 2 1 1 A 18 18 SER N N 18 110.441 109.608 0.833 1
1 152 . 2 1 1 A 19 19 LYS H H 19 8.745 9.239 -0.494 1
1 153 . 2 1 1 A 19 19 LYS HA H 19 5.836 5.653 0.183 1
1 162 . 2 1 1 A 19 19 LYS C C 19 174.068 174.638 -0.570 1
1 163 . 2 1 1 A 19 19 LYS CA C 19 54.770 54.645 0.125 1
1 164 . 2 1 1 A 19 19 LYS CB C 19 37.493 36.884 0.609 1
1 168 . 2 1 1 A 19 19 LYS N N 19 120.354 119.472 0.882 1
1 169 . 2 1 1 A 20 20 ARG H H 20 9.264 9.153 0.111 1
1 170 . 2 1 1 A 20 20 ARG HA H 20 4.703 5.110 -0.407 1
1 178 . 2 1 1 A 20 20 ARG C C 20 171.618 173.719 -2.101 1
1 179 . 2 1 1 A 20 20 ARG CA C 20 54.471 54.508 -0.037 1
1 180 . 2 1 1 A 20 20 ARG CB C 20 32.578 33.614 -1.036 1
1 183 . 2 1 1 A 20 20 ARG N N 20 119.809 119.732 0.077 1
1 185 . 2 1 1 A 21 21 LEU H H 21 8.286 8.841 -0.555 1
1 186 . 2 1 1 A 21 21 LEU HA H 21 4.927 5.208 -0.281 1
1 196 . 2 1 1 A 21 21 LEU C C 21 176.880 175.061 1.819 1
1 197 . 2 1 1 A 21 21 LEU CA C 21 53.433 53.319 0.114 1
1 198 . 2 1 1 A 21 21 LEU CB C 21 43.905 44.892 -0.987 1
1 202 . 2 1 1 A 21 21 LEU N N 21 121.552 123.193 -1.641 1
1 203 . 2 1 1 A 22 22 ARG H H 22 9.146 8.589 0.557 1
1 204 . 2 1 1 A 22 22 ARG HA H 22 4.434 4.495 -0.061 1
1 211 . 2 1 1 A 22 22 ARG C C 22 175.379 174.795 0.584 1
1 212 . 2 1 1 A 22 22 ARG CA C 22 55.468 55.678 -0.210 1
1 213 . 2 1 1 A 22 22 ARG CB C 22 33.049 33.171 -0.122 1
1 216 . 2 1 1 A 22 22 ARG N N 22 126.472 126.661 -0.189 1
1 217 . 2 1 1 A 23 23 LYS H H 23 9.505 9.333 0.172 1
1 218 . 2 1 1 A 23 23 LYS HA H 23 3.839 3.951 -0.112 1
1 227 . 2 1 1 A 23 23 LYS C C 23 176.521 176.807 -0.286 1
1 228 . 2 1 1 A 23 23 LYS CA C 23 57.127 57.297 -0.170 1
1 229 . 2 1 1 A 23 23 LYS CB C 23 29.988 30.152 -0.164 1
1 233 . 2 1 1 A 24 24 GLY H H 24 8.438 8.733 -0.295 1
1 234 . 2 1 1 A 24 24 GLY HA2 H 24 4.124 3.844 0.280 1
1 235 . 2 1 1 A 24 24 GLY HA3 H 24 3.517 3.848 -0.331 1
1 236 . 2 1 1 A 24 24 GLY C C 24 173.338 173.556 -0.218 1
1 237 . 2 1 1 A 24 24 GLY CA C 24 45.481 45.620 -0.139 1
1 238 . 2 1 1 A 24 24 GLY N N 24 103.048 104.569 -1.521 1
1 239 . 2 1 1 A 25 25 LYS H H 25 7.785 7.881 -0.096 1
1 240 . 2 1 1 A 25 25 LYS HA H 25 4.635 4.932 -0.297 1
1 249 . 2 1 1 A 25 25 LYS C C 25 174.733 174.710 0.023 1
1 250 . 2 1 1 A 25 25 LYS CA C 25 54.365 54.023 0.342 1
1 251 . 2 1 1 A 25 25 LYS CB C 25 34.616 35.798 -1.182 1
1 255 . 2 1 1 A 25 25 LYS N N 25 121.463 115.455 6.008 1
1 256 . 2 1 1 A 26 26 LEU H H 26 8.555 8.744 -0.189 1
1 257 . 2 1 1 A 26 26 LEU HA H 26 4.763 4.950 -0.187 1
1 267 . 2 1 1 A 26 26 LEU C C 26 176.596 174.834 1.762 1
1 268 . 2 1 1 A 26 26 LEU CA C 26 54.999 53.553 1.446 1
1 269 . 2 1 1 A 26 26 LEU CB C 26 43.167 44.299 -1.132 1
1 273 . 2 1 1 A 26 26 LEU N N 26 124.731 122.908 1.823 1
1 274 . 2 1 1 A 27 27 GLU H H 27 8.944 9.245 -0.301 1
1 275 . 2 1 1 A 27 27 GLU HA H 27 4.923 4.928 -0.005 1
1 280 . 2 1 1 A 27 27 GLU C C 27 174.422 175.013 -0.591 1
1 281 . 2 1 1 A 27 27 GLU CA C 27 53.874 54.764 -0.890 1
1 282 . 2 1 1 A 27 27 GLU CB C 27 35.191 33.195 1.996 1
1 284 . 2 1 1 A 27 27 GLU N N 27 122.189 126.221 -4.032 1
1 285 . 2 1 1 A 28 28 TYR H H 28 9.423 9.506 -0.083 1
1 286 . 2 1 1 A 28 28 TYR HA H 28 5.265 4.942 0.323 1
1 293 . 2 1 1 A 28 28 TYR C C 28 174.020 174.476 -0.456 1
1 294 . 2 1 1 A 28 28 TYR CA C 28 56.511 56.332 0.179 1
1 295 . 2 1 1 A 28 28 TYR CB C 28 41.646 41.313 0.333 1
1 300 . 2 1 1 A 28 28 TYR N N 28 118.361 122.171 -3.810 1
1 301 . 2 1 1 A 29 29 LEU H H 29 7.779 8.424 -0.645 1
1 302 . 2 1 1 A 29 29 LEU HA H 29 3.634 3.505 0.129 1
1 312 . 2 1 1 A 29 29 LEU C C 29 173.992 174.444 -0.452 1
1 313 . 2 1 1 A 29 29 LEU CA C 29 53.680 53.822 -0.142 1
1 314 . 2 1 1 A 29 29 LEU CB C 29 40.115 41.413 -1.298 1
1 318 . 2 1 1 A 29 29 LEU N N 29 127.541 126.323 1.218 1
1 319 . 2 1 1 A 30 30 VAL H H 30 8.936 8.115 0.821 1
1 320 . 2 1 1 A 30 30 VAL HA H 30 3.915 3.785 0.130 1
1 328 . 2 1 1 A 30 30 VAL C C 30 173.840 174.467 -0.627 1
1 329 . 2 1 1 A 30 30 VAL CA C 30 62.106 61.973 0.133 1
1 330 . 2 1 1 A 30 30 VAL CB C 30 34.458 31.919 2.539 1
1 333 . 2 1 1 A 30 30 VAL N N 30 130.095 127.595 2.500 1
1 334 . 2 1 1 A 31 31 LYS H H 31 7.596 8.020 -0.424 1
1 335 . 2 1 1 A 31 31 LYS HA H 31 4.525 4.554 -0.029 1
1 344 . 2 1 1 A 31 31 LYS C C 31 175.379 174.771 0.608 1
1 345 . 2 1 1 A 31 31 LYS CA C 31 53.574 54.548 -0.974 1
1 346 . 2 1 1 A 31 31 LYS CB C 31 34.848 33.553 1.295 1
1 350 . 2 1 1 A 31 31 LYS N N 31 123.992 126.544 -2.552 1
1 351 . 2 1 1 A 32 32 TRP H H 32 9.368 8.629 0.739 1
1 352 . 2 1 1 A 32 32 TRP HA H 32 4.816 5.129 -0.313 1
1 361 . 2 1 1 A 32 32 TRP C C 32 176.830 177.231 -0.401 1
1 362 . 2 1 1 A 32 32 TRP CA C 32 56.002 58.226 -2.224 1
1 363 . 2 1 1 A 32 32 TRP CB C 32 31.163 30.128 1.035 1
1 369 . 2 1 1 A 32 32 TRP N N 32 131.754 127.853 3.901 1
1 371 . 2 1 1 A 33 33 ARG H H 33 9.455 8.832 0.623 1
1 372 . 2 1 1 A 33 33 ARG HA H 33 4.345 4.071 0.274 1
1 379 . 2 1 1 A 33 33 ARG C C 33 178.092 178.811 -0.719 1
1 380 . 2 1 1 A 33 33 ARG CA C 33 57.590 59.252 -1.662 1
1 381 . 2 1 1 A 33 33 ARG CB C 33 30.400 30.226 0.174 1
1 384 . 2 1 1 A 33 33 ARG N N 33 124.374 124.499 -0.125 1
1 385 . 2 1 1 A 34 34 GLY H H 34 9.319 8.414 0.905 1
1 386 . 2 1 1 A 34 34 GLY HA2 H 34 3.642 3.736 -0.094 1
1 387 . 2 1 1 A 34 34 GLY HA3 H 34 3.976 3.759 0.217 1
1 388 . 2 1 1 A 34 34 GLY CA C 34 45.636 47.068 -1.432 1
1 389 . 2 1 1 A 34 34 GLY N N 34 114.254 107.575 6.679 1
1 390 . 2 1 1 A 35 35 TRP H H 35 7.725 8.087 -0.362 1
1 391 . 2 1 1 A 35 35 TRP HA H 35 4.785 5.139 -0.354 1
1 400 . 2 1 1 A 35 35 TRP CA C 35 55.641 55.252 0.389 1
1 401 . 2 1 1 A 35 35 TRP CB C 35 31.352 29.319 2.033 1
1 407 . 2 1 1 A 35 35 TRP N N 35 120.008 120.998 -0.990 1
1 409 . 2 1 1 A 36 36 SER H H 36 8.785 8.843 -0.058 1
1 410 . 2 1 1 A 36 36 SER HA H 36 4.587 4.106 0.481 1
1 413 . 2 1 1 A 36 36 SER CA C 36 58.364 62.136 -3.772 1
1 414 . 2 1 1 A 36 36 SER CB C 36 64.741 62.939 1.802 1
1 415 . 2 1 1 A 36 36 SER N N 36 117.243 121.913 -4.670 1
1 416 . 2 1 1 A 37 37 SER HA H 37 4.491 4.904 -0.413 1
1 419 . 2 1 1 A 37 37 SER CA C 37 60.248 57.129 3.119 1
1 420 . 2 1 1 A 37 37 SER CB C 37 63.340 63.308 0.032 1
1 421 . 2 1 1 A 38 38 LYS HA H 38 4.155 4.623 -0.468 1
1 430 . 2 1 1 A 38 38 LYS CA C 38 58.001 56.984 1.017 1
1 431 . 2 1 1 A 38 38 LYS CB C 38 32.378 35.949 -3.571 1
1 435 . 2 1 1 A 39 39 HIS H H 39 8.245 8.170 0.075 1
1 436 . 2 1 1 A 39 39 HIS HA H 39 4.460 4.838 -0.378 1
1 441 . 2 1 1 A 39 39 HIS CA C 39 56.031 54.045 1.986 1
1 442 . 2 1 1 A 39 39 HIS CB C 39 30.068 29.044 1.024 1
1 445 . 2 1 1 A 39 39 HIS N N 39 117.908 115.191 2.717 1
1 446 . 2 1 1 A 40 40 ASN H H 40 7.746 8.864 -1.118 1
1 447 . 2 1 1 A 40 40 ASN HA H 40 5.176 5.425 -0.249 1
1 452 . 2 1 1 A 40 40 ASN C C 40 176.114 174.852 1.262 1
1 453 . 2 1 1 A 40 40 ASN CA C 40 54.102 53.026 1.076 1
1 454 . 2 1 1 A 40 40 ASN CB C 40 37.123 40.330 -3.207 1
1 455 . 2 1 1 A 40 40 ASN N N 40 121.018 120.982 0.036 1
1 457 . 2 1 1 A 41 41 SER H H 41 8.492 8.677 -0.185 1
1 458 . 2 1 1 A 41 41 SER HA H 41 4.866 5.392 -0.526 1
1 461 . 2 1 1 A 41 41 SER C C 41 172.479 173.116 -0.637 1
1 462 . 2 1 1 A 41 41 SER CA C 41 57.145 56.911 0.234 1
1 463 . 2 1 1 A 41 41 SER CB C 41 66.057 65.963 0.094 1
1 464 . 2 1 1 A 41 41 SER N N 41 115.675 115.411 0.264 1
1 465 . 2 1 1 A 42 42 TRP H H 42 8.604 9.002 -0.398 1
1 466 . 2 1 1 A 42 42 TRP HA H 42 4.980 5.366 -0.386 1
1 475 . 2 1 1 A 42 42 TRP C C 42 177.025 175.845 1.180 1
1 476 . 2 1 1 A 42 42 TRP CA C 42 56.477 55.827 0.650 1
1 477 . 2 1 1 A 42 42 TRP CB C 42 29.625 30.769 -1.144 1
1 483 . 2 1 1 A 42 42 TRP N N 42 123.109 125.072 -1.963 1
1 485 . 2 1 1 A 43 43 GLU H H 43 9.916 8.697 1.219 1
1 486 . 2 1 1 A 43 43 GLU HA H 43 5.225 4.831 0.394 1
1 491 . 2 1 1 A 43 43 GLU C C 43 174.192 174.081 0.111 1
1 492 . 2 1 1 A 43 43 GLU CA C 43 52.230 53.069 -0.839 1
1 493 . 2 1 1 A 43 43 GLU CB C 43 32.537 30.904 1.633 1
1 495 . 2 1 1 A 43 43 GLU N N 43 125.182 124.271 0.911 1
1 496 . 2 1 1 A 44 44 PRO HA H 44 4.934 4.911 0.023 1
1 503 . 2 1 1 A 44 44 PRO C C 44 177.782 177.768 0.014 1
1 504 . 2 1 1 A 44 44 PRO CA C 44 62.525 62.568 -0.043 1
1 505 . 2 1 1 A 44 44 PRO CB C 44 32.730 32.571 0.159 1
1 508 . 2 1 1 A 45 45 GLU H H 45 8.637 9.032 -0.395 1
1 509 . 2 1 1 A 45 45 GLU HA H 45 3.965 4.147 -0.182 1
1 514 . 2 1 1 A 45 45 GLU C C 45 177.990 178.521 -0.531 1
1 515 . 2 1 1 A 45 45 GLU CA C 45 60.293 59.691 0.602 1
1 516 . 2 1 1 A 45 45 GLU CB C 45 30.235 29.762 0.473 1
1 518 . 2 1 1 A 45 45 GLU N N 45 120.441 123.251 -2.810 1
1 519 . 2 1 1 A 46 46 GLU H H 46 9.698 8.653 1.045 1
1 520 . 2 1 1 A 46 46 GLU HA H 46 4.243 4.110 0.133 1
1 525 . 2 1 1 A 46 46 GLU C C 46 176.547 178.183 -1.636 1
1 526 . 2 1 1 A 46 46 GLU CA C 46 58.693 58.967 -0.274 1
1 527 . 2 1 1 A 46 46 GLU CB C 46 28.448 28.492 -0.044 1
1 529 . 2 1 1 A 46 46 GLU N N 46 117.193 117.393 -0.200 1
1 530 . 2 1 1 A 47 47 ASN H H 47 8.119 8.072 0.047 1
1 531 . 2 1 1 A 47 47 ASN HA H 47 4.922 4.708 0.214 1
1 536 . 2 1 1 A 47 47 ASN C C 47 175.293 176.208 -0.915 1
1 537 . 2 1 1 A 47 47 ASN CA C 47 52.430 55.029 -2.599 1
1 538 . 2 1 1 A 47 47 ASN CB C 47 38.439 38.930 -0.491 1
1 539 . 2 1 1 A 47 47 ASN N N 47 118.023 116.328 1.695 1
1 541 . 2 1 1 A 48 48 ILE H H 48 7.695 7.457 0.238 1
1 542 . 2 1 1 A 48 48 ILE HA H 48 4.075 4.168 -0.093 1
1 552 . 2 1 1 A 48 48 ILE C C 48 175.029 175.546 -0.517 1
1 553 . 2 1 1 A 48 48 ILE CA C 48 59.749 61.806 -2.057 1
1 554 . 2 1 1 A 48 48 ILE CB C 48 35.109 37.013 -1.904 1
1 558 . 2 1 1 A 48 48 ILE N N 48 121.906 119.810 2.096 1
1 559 . 2 1 1 A 49 49 LEU H H 49 8.137 8.469 -0.332 1
1 560 . 2 1 1 A 49 49 LEU HA H 49 4.286 4.310 -0.024 1
1 570 . 2 1 1 A 49 49 LEU C C 49 176.808 176.960 -0.152 1
1 571 . 2 1 1 A 49 49 LEU CA C 49 55.748 56.651 -0.903 1
1 572 . 2 1 1 A 49 49 LEU CB C 49 42.088 42.824 -0.736 1
1 576 . 2 1 1 A 49 49 LEU N N 49 125.062 129.352 -4.290 1
1 577 . 2 1 1 A 50 50 ASP H H 50 7.284 7.803 -0.519 1
1 578 . 2 1 1 A 50 50 ASP HA H 50 5.077 4.816 0.261 1
1 581 . 2 1 1 A 50 50 ASP C C 50 174.968 176.027 -1.059 1
1 582 . 2 1 1 A 50 50 ASP CA C 50 50.443 51.990 -1.547 1
1 583 . 2 1 1 A 50 50 ASP CB C 50 41.822 40.855 0.967 1
1 584 . 2 1 1 A 50 50 ASP N N 50 118.019 118.467 -0.448 1
1 585 . 2 1 1 A 51 51 PRO HA H 51 4.258 4.264 -0.006 1
1 592 . 2 1 1 A 51 51 PRO C C 51 179.037 179.025 0.012 1
1 593 . 2 1 1 A 51 51 PRO CA C 51 64.372 64.973 -0.601 1
1 594 . 2 1 1 A 51 51 PRO CB C 51 32.382 32.059 0.323 1
1 597 . 2 1 1 A 52 52 ARG H H 52 8.253 8.422 -0.169 1
1 598 . 2 1 1 A 52 52 ARG HA H 52 3.995 4.048 -0.053 1
1 605 . 2 1 1 A 52 52 ARG C C 52 179.774 178.743 1.031 1
1 606 . 2 1 1 A 52 52 ARG CA C 52 59.255 59.293 -0.038 1
1 607 . 2 1 1 A 52 52 ARG CB C 52 29.608 30.035 -0.427 1
1 610 . 2 1 1 A 52 52 ARG N N 52 117.657 118.634 -0.977 1
1 611 . 2 1 1 A 53 53 LEU H H 53 7.576 7.928 -0.352 1
1 612 . 2 1 1 A 53 53 LEU HA H 53 4.043 3.916 0.127 1
1 622 . 2 1 1 A 53 53 LEU C C 53 180.197 179.095 1.102 1
1 623 . 2 1 1 A 53 53 LEU CA C 53 57.620 57.704 -0.084 1
1 624 . 2 1 1 A 53 53 LEU CB C 53 42.080 41.965 0.115 1
1 628 . 2 1 1 A 53 53 LEU N N 53 118.887 120.291 -1.404 1
1 629 . 2 1 1 A 54 54 LEU H H 54 7.185 8.111 -0.926 1
1 630 . 2 1 1 A 54 54 LEU HA H 54 3.966 3.721 0.245 1
1 640 . 2 1 1 A 54 54 LEU C C 54 178.631 179.005 -0.374 1
1 641 . 2 1 1 A 54 54 LEU CA C 54 57.549 57.981 -0.432 1
1 642 . 2 1 1 A 54 54 LEU CB C 54 41.646 41.842 -0.196 1
1 646 . 2 1 1 A 54 54 LEU N N 54 119.814 117.599 2.215 1
1 647 . 2 1 1 A 55 55 LEU H H 55 7.791 8.328 -0.537 1
1 648 . 2 1 1 A 55 55 LEU HA H 55 4.132 4.010 0.122 1
1 658 . 2 1 1 A 55 55 LEU C C 55 179.501 178.677 0.824 1
1 659 . 2 1 1 A 55 55 LEU CA C 55 58.007 58.167 -0.160 1
1 660 . 2 1 1 A 55 55 LEU CB C 55 41.523 41.499 0.024 1
1 664 . 2 1 1 A 55 55 LEU N N 55 120.290 118.194 2.096 1
1 665 . 2 1 1 A 56 56 ALA H H 56 7.771 8.303 -0.532 1
1 666 . 2 1 1 A 56 56 ALA HA H 56 4.145 4.082 0.063 1
1 670 . 2 1 1 A 56 56 ALA C C 56 180.157 180.008 0.149 1
1 671 . 2 1 1 A 56 56 ALA CA C 56 54.963 55.156 -0.193 1
1 672 . 2 1 1 A 56 56 ALA CB C 56 18.232 18.574 -0.342 1
1 673 . 2 1 1 A 56 56 ALA N N 56 119.874 120.418 -0.544 1
1 674 . 2 1 1 A 57 57 PHE H H 57 7.526 7.616 -0.090 1
1 675 . 2 1 1 A 57 57 PHE HA H 57 4.451 4.138 0.313 1
1 683 . 2 1 1 A 57 57 PHE C C 57 176.838 177.428 -0.590 1
1 684 . 2 1 1 A 57 57 PHE CA C 57 60.822 61.399 -0.577 1
1 685 . 2 1 1 A 57 57 PHE CB C 57 39.878 39.280 0.598 1
1 691 . 2 1 1 A 57 57 PHE N N 57 119.210 119.292 -0.082 1
1 692 . 2 1 1 A 58 58 GLN H H 58 8.415 8.629 -0.214 1
1 693 . 2 1 1 A 58 58 GLN HA H 58 3.874 3.944 -0.070 1
1 700 . 2 1 1 A 58 58 GLN C C 58 178.639 178.616 0.023 1
1 701 . 2 1 1 A 58 58 GLN CA C 58 58.499 58.984 -0.485 1
1 702 . 2 1 1 A 58 58 GLN CB C 58 28.325 28.363 -0.038 1
1 704 . 2 1 1 A 58 58 GLN N N 58 118.702 117.283 1.419 1
1 706 . 2 1 1 A 59 59 LYS H H 59 7.918 7.784 0.134 1
1 707 . 2 1 1 A 59 59 LYS HA H 59 4.121 4.123 -0.002 1
1 716 . 2 1 1 A 59 59 LYS C C 59 178.269 179.314 -1.045 1
1 717 . 2 1 1 A 59 59 LYS CA C 59 58.921 59.210 -0.289 1
1 718 . 2 1 1 A 59 59 LYS CB C 59 32.437 32.268 0.169 1
1 722 . 2 1 1 A 59 59 LYS N N 59 119.131 120.205 -1.074 1
1 723 . 2 1 1 A 60 60 LYS H H 60 7.595 7.758 -0.163 1
1 724 . 2 1 1 A 60 60 LYS HA H 60 4.133 4.060 0.073 1
1 733 . 2 1 1 A 60 60 LYS C C 60 178.836 179.279 -0.443 1
1 734 . 2 1 1 A 60 60 LYS CA C 60 58.323 59.345 -1.022 1
1 735 . 2 1 1 A 60 60 LYS CB C 60 32.150 31.776 0.374 1
1 739 . 2 1 1 A 60 60 LYS N N 60 120.016 119.428 0.588 1
1 740 . 2 1 1 A 61 61 GLU H H 61 8.095 8.072 0.023 1
1 741 . 2 1 1 A 61 61 GLU HA H 61 3.936 3.789 0.147 1
1 746 . 2 1 1 A 61 61 GLU C C 61 178.233 178.961 -0.728 1
1 747 . 2 1 1 A 61 61 GLU CA C 61 58.605 59.048 -0.443 1
1 748 . 2 1 1 A 61 61 GLU CB C 61 29.806 29.141 0.665 1
1 750 . 2 1 1 A 61 61 GLU N N 61 119.560 120.959 -1.399 1
1 751 . 2 1 1 A 62 62 HIS H H 62 8.037 8.092 -0.055 1
1 752 . 2 1 1 A 62 62 HIS HA H 62 4.517 4.140 0.377 1
1 757 . 2 1 1 A 62 62 HIS C C 62 176.449 177.248 -0.799 1
1 758 . 2 1 1 A 62 62 HIS CA C 62 57.740 59.899 -2.159 1
1 759 . 2 1 1 A 62 62 HIS CB C 62 29.928 29.886 0.042 1
1 762 . 2 1 1 A 62 62 HIS N N 62 118.437 120.492 -2.055 1
1 763 . 2 1 1 A 63 63 GLU H H 63 8.010 8.131 -0.121 1
1 764 . 2 1 1 A 63 63 GLU HA H 63 4.096 4.141 -0.045 1
1 769 . 2 1 1 A 63 63 GLU C C 63 177.485 179.241 -1.756 1
1 770 . 2 1 1 A 63 63 GLU CA C 63 57.954 59.303 -1.349 1
1 771 . 2 1 1 A 63 63 GLU CB C 63 29.783 29.595 0.188 1
1 773 . 2 1 1 A 63 63 GLU N N 63 119.622 118.972 0.650 1
1 774 . 2 1 1 A 64 64 LYS H H 64 7.874 7.753 0.121 1
1 775 . 2 1 1 A 64 64 LYS HA H 64 4.213 4.082 0.131 1
1 784 . 2 1 1 A 64 64 LYS C C 64 177.341 177.099 0.242 1
1 785 . 2 1 1 A 64 64 LYS CA C 64 57.479 59.268 -1.789 1
1 786 . 2 1 1 A 64 64 LYS CB C 64 32.684 31.967 0.717 1
1 790 . 2 1 1 A 64 64 LYS N N 64 119.617 118.866 0.751 1
1 791 . 2 1 1 A 65 65 GLU H H 65 8.044 7.980 0.064 1
1 792 . 2 1 1 A 65 65 GLU HA H 65 4.236 4.250 -0.014 1
1 797 . 2 1 1 A 65 65 GLU C C 65 177.451 176.952 0.499 1
1 798 . 2 1 1 A 65 65 GLU CA C 65 57.426 56.907 0.519 1
1 799 . 2 1 1 A 65 65 GLU CB C 65 29.971 30.258 -0.287 1
1 801 . 2 1 1 A 65 65 GLU N N 65 120.606 119.647 0.959 1
1 802 . 2 1 1 A 66 66 VAL H H 66 8.028 8.764 -0.736 1
1 803 . 2 1 1 A 66 66 VAL HA H 66 4.035 4.381 -0.346 1
1 811 . 2 1 1 A 66 66 VAL C C 66 176.848 175.931 0.917 1
1 812 . 2 1 1 A 66 66 VAL CA C 66 63.160 61.652 1.508 1
1 813 . 2 1 1 A 66 66 VAL CB C 66 32.396 33.653 -1.257 1
1 816 . 2 1 1 A 66 66 VAL N N 66 119.834 120.046 -0.212 1
1 817 . 2 1 1 A 67 67 GLN H H 67 8.265 7.740 0.525 1
1 818 . 2 1 1 A 67 67 GLN HA H 67 4.313 4.258 0.055 1
1 825 . 2 1 1 A 67 67 GLN C C 67 176.073 175.311 0.762 1
1 826 . 2 1 1 A 67 67 GLN CA C 67 56.283 55.357 0.926 1
1 827 . 2 1 1 A 67 67 GLN CB C 67 29.216 28.991 0.225 1
1 829 . 2 1 1 A 67 67 GLN N N 67 122.698 122.531 0.167 1
1 831 . 2 1 1 A 68 68 ASN H H 68 8.391 8.720 -0.329 1
1 832 . 2 1 1 A 68 68 ASN HA H 68 4.782 4.662 0.120 1
1 837 . 2 1 1 A 68 68 ASN C C 68 175.242 174.793 0.449 1
1 838 . 2 1 1 A 68 68 ASN CA C 68 53.487 54.000 -0.513 1
1 839 . 2 1 1 A 68 68 ASN CB C 68 39.138 38.658 0.480 1
1 840 . 2 1 1 A 68 68 ASN N N 68 119.609 127.416 -7.807 1
1 842 . 2 1 1 A 69 69 SER H H 69 8.272 8.827 -0.555 1
1 843 . 2 1 1 A 69 69 SER HA H 69 4.501 5.019 -0.518 1
1 846 . 2 1 1 A 69 69 SER C C 69 174.630 173.606 1.024 1
1 847 . 2 1 1 A 69 69 SER CA C 69 58.587 56.830 1.757 1
1 848 . 2 1 1 A 69 69 SER CB C 69 64.174 66.380 -2.206 1
1 849 . 2 1 1 A 69 69 SER N N 69 116.106 118.455 -2.349 1
1 850 . 2 1 1 A 70 70 GLY H H 70 8.251 8.636 -0.385 1
1 851 . 2 1 1 A 70 70 GLY HA2 H 70 4.175 4.029 0.146 1
1 852 . 2 1 1 A 70 70 GLY HA3 H 70 4.144 4.031 0.113 1
1 853 . 2 1 1 A 70 70 GLY C C 70 171.843 173.207 -1.364 1
1 854 . 2 1 1 A 70 70 GLY CA C 70 44.709 45.150 -0.441 1
1 855 . 2 1 1 A 70 70 GLY N N 70 110.658 108.265 2.393 1
1 856 . 2 1 1 A 71 71 PRO HA H 71 4.501 4.537 -0.036 1
1 863 . 2 1 1 A 71 71 PRO C C 71 177.457 176.300 1.157 1
1 864 . 2 1 1 A 71 71 PRO CA C 71 63.300 62.789 0.511 1
1 865 . 2 1 1 A 71 71 PRO CB C 71 32.008 31.988 0.020 1
1 868 . 2 1 1 A 72 72 SER H H 72 8.536 8.467 0.069 1
1 869 . 2 1 1 A 72 72 SER CA C 72 58.429 57.654 0.775 1
1 1 . 3 1 1 A 6 6 SER HA H 6 4.501 4.652 -0.151 1
1 4 . 3 1 1 A 6 6 SER C C 6 175.089 174.991 0.098 1
1 5 . 3 1 1 A 6 6 SER CA C 6 58.675 58.913 -0.238 1
1 6 . 3 1 1 A 6 6 SER CB C 6 63.909 62.639 1.270 1
1 7 . 3 1 1 A 7 7 GLY H H 7 8.374 8.213 0.161 1
1 8 . 3 1 1 A 7 7 GLY HA2 H 7 3.966 4.149 -0.183 1
1 9 . 3 1 1 A 7 7 GLY HA3 H 7 3.966 4.157 -0.191 1
1 10 . 3 1 1 A 7 7 GLY C C 7 174.147 174.008 0.139 1
1 11 . 3 1 1 A 7 7 GLY CA C 7 45.359 45.536 -0.177 1
1 12 . 3 1 1 A 7 7 GLY N N 7 110.638 113.838 -3.200 1
1 13 . 3 1 1 A 8 8 GLU H H 8 8.255 8.230 0.025 1
1 14 . 3 1 1 A 8 8 GLU HA H 8 4.273 5.013 -0.740 1
1 19 . 3 1 1 A 8 8 GLU C C 8 176.471 175.410 1.061 1
1 20 . 3 1 1 A 8 8 GLU CA C 8 56.582 55.271 1.311 1
1 21 . 3 1 1 A 8 8 GLU CB C 8 30.299 32.168 -1.869 1
1 23 . 3 1 1 A 8 8 GLU N N 8 120.542 116.915 3.627 1
1 24 . 3 1 1 A 9 9 GLN H H 9 8.397 8.744 -0.347 1
1 25 . 3 1 1 A 9 9 GLN HA H 9 4.332 4.868 -0.536 1
1 32 . 3 1 1 A 9 9 GLN C C 9 175.365 175.561 -0.196 1
1 33 . 3 1 1 A 9 9 GLN CA C 9 55.668 54.410 1.258 1
1 34 . 3 1 1 A 9 9 GLN CB C 9 29.560 31.328 -1.768 1
1 36 . 3 1 1 A 9 9 GLN N N 9 121.410 122.956 -1.546 1
1 38 . 3 1 1 A 10 10 VAL H H 10 8.104 8.358 -0.254 1
1 39 . 3 1 1 A 10 10 VAL HA H 10 4.054 3.986 0.068 1
1 47 . 3 1 1 A 10 10 VAL C C 10 175.736 175.129 0.607 1
1 48 . 3 1 1 A 10 10 VAL CA C 10 62.334 63.027 -0.693 1
1 49 . 3 1 1 A 10 10 VAL CB C 10 33.136 32.184 0.952 1
1 52 . 3 1 1 A 10 10 VAL N N 10 121.590 125.076 -3.486 1
1 53 . 3 1 1 A 11 11 PHE H H 11 8.491 8.486 0.005 1
1 54 . 3 1 1 A 11 11 PHE HA H 11 4.696 5.631 -0.935 1
1 62 . 3 1 1 A 11 11 PHE C C 11 174.477 173.327 1.150 1
1 63 . 3 1 1 A 11 11 PHE CA C 11 57.444 55.205 2.239 1
1 64 . 3 1 1 A 11 11 PHE CB C 11 39.467 42.214 -2.747 1
1 70 . 3 1 1 A 11 11 PHE N N 11 125.302 122.351 2.951 1
1 71 . 3 1 1 A 12 12 ALA H H 12 9.203 9.001 0.202 1
1 72 . 3 1 1 A 12 12 ALA HA H 12 4.866 5.187 -0.321 1
1 76 . 3 1 1 A 12 12 ALA C C 12 176.813 176.263 0.550 1
1 77 . 3 1 1 A 12 12 ALA CA C 12 51.252 51.854 -0.602 1
1 78 . 3 1 1 A 12 12 ALA CB C 12 20.719 20.828 -0.109 1
1 79 . 3 1 1 A 12 12 ALA N N 12 127.219 120.958 6.261 1
1 80 . 3 1 1 A 13 13 ALA H H 13 8.891 9.144 -0.253 1
1 81 . 3 1 1 A 13 13 ALA HA H 13 3.874 4.073 -0.199 1
1 85 . 3 1 1 A 13 13 ALA C C 13 176.194 177.238 -1.044 1
1 86 . 3 1 1 A 13 13 ALA CA C 13 53.380 51.880 1.500 1
1 87 . 3 1 1 A 13 13 ALA CB C 13 19.448 18.241 1.207 1
1 88 . 3 1 1 A 13 13 ALA N N 13 126.618 127.375 -0.757 1
1 89 . 3 1 1 A 14 14 GLU H H 14 9.604 9.019 0.585 1
1 90 . 3 1 1 A 14 14 GLU HA H 14 4.336 4.083 0.253 1
1 95 . 3 1 1 A 14 14 GLU C C 14 176.093 175.814 0.279 1
1 96 . 3 1 1 A 14 14 GLU CA C 14 57.356 59.248 -1.892 1
1 97 . 3 1 1 A 14 14 GLU CB C 14 32.273 30.484 1.789 1
1 99 . 3 1 1 A 14 14 GLU N N 14 123.285 125.325 -2.040 1
1 100 . 3 1 1 A 15 15 CYS H H 15 7.655 7.433 0.222 1
1 101 . 3 1 1 A 15 15 CYS HA H 15 4.527 4.592 -0.065 1
1 104 . 3 1 1 A 15 15 CYS C C 15 171.003 172.942 -1.939 1
1 105 . 3 1 1 A 15 15 CYS CA C 15 56.674 58.041 -1.367 1
1 106 . 3 1 1 A 15 15 CYS CB C 15 29.765 30.776 -1.011 1
1 107 . 3 1 1 A 15 15 CYS N N 15 110.806 116.232 -5.426 1
1 108 . 3 1 1 A 16 16 ILE H H 16 8.316 8.727 -0.411 1
1 109 . 3 1 1 A 16 16 ILE HA H 16 4.344 3.926 0.418 1
1 119 . 3 1 1 A 16 16 ILE C C 16 175.432 175.372 0.060 1
1 120 . 3 1 1 A 16 16 ILE CA C 16 60.047 61.512 -1.465 1
1 121 . 3 1 1 A 16 16 ILE CB C 16 39.308 37.316 1.992 1
1 125 . 3 1 1 A 16 16 ILE N N 16 121.665 125.549 -3.884 1
1 126 . 3 1 1 A 17 17 LEU H H 17 9.207 8.998 0.209 1
1 127 . 3 1 1 A 17 17 LEU HA H 17 4.425 4.353 0.072 1
1 137 . 3 1 1 A 17 17 LEU C C 17 177.573 176.606 0.967 1
1 138 . 3 1 1 A 17 17 LEU CA C 17 55.825 56.066 -0.241 1
1 139 . 3 1 1 A 17 17 LEU CB C 17 44.400 42.513 1.887 1
1 143 . 3 1 1 A 17 17 LEU N N 17 124.728 129.672 -4.944 1
1 144 . 3 1 1 A 18 18 SER H H 18 7.082 7.630 -0.548 1
1 145 . 3 1 1 A 18 18 SER HA H 18 4.778 4.892 -0.114 1
1 148 . 3 1 1 A 18 18 SER C C 18 171.685 172.424 -0.739 1
1 149 . 3 1 1 A 18 18 SER CA C 18 57.075 56.628 0.447 1
1 150 . 3 1 1 A 18 18 SER CB C 18 64.550 66.113 -1.563 1
1 151 . 3 1 1 A 18 18 SER N N 18 110.441 110.482 -0.041 1
1 152 . 3 1 1 A 19 19 LYS H H 19 8.745 9.055 -0.310 1
1 153 . 3 1 1 A 19 19 LYS HA H 19 5.836 5.599 0.237 1
1 162 . 3 1 1 A 19 19 LYS C C 19 174.068 174.645 -0.577 1
1 163 . 3 1 1 A 19 19 LYS CA C 19 54.770 54.316 0.454 1
1 164 . 3 1 1 A 19 19 LYS CB C 19 37.493 37.082 0.411 1
1 168 . 3 1 1 A 19 19 LYS N N 19 120.354 120.188 0.166 1
1 169 . 3 1 1 A 20 20 ARG H H 20 9.264 8.939 0.325 1
1 170 . 3 1 1 A 20 20 ARG HA H 20 4.703 5.152 -0.449 1
1 178 . 3 1 1 A 20 20 ARG C C 20 171.618 173.841 -2.223 1
1 179 . 3 1 1 A 20 20 ARG CA C 20 54.471 54.505 -0.034 1
1 180 . 3 1 1 A 20 20 ARG CB C 20 32.578 34.362 -1.784 1
1 183 . 3 1 1 A 20 20 ARG N N 20 119.809 119.111 0.698 1
1 185 . 3 1 1 A 21 21 LEU H H 21 8.286 8.718 -0.432 1
1 186 . 3 1 1 A 21 21 LEU HA H 21 4.927 5.164 -0.237 1
1 196 . 3 1 1 A 21 21 LEU C C 21 176.880 175.897 0.983 1
1 197 . 3 1 1 A 21 21 LEU CA C 21 53.433 54.194 -0.761 1
1 198 . 3 1 1 A 21 21 LEU CB C 21 43.905 45.520 -1.615 1
1 202 . 3 1 1 A 21 21 LEU N N 21 121.552 121.777 -0.225 1
1 203 . 3 1 1 A 22 22 ARG H H 22 9.146 8.380 0.766 1
1 204 . 3 1 1 A 22 22 ARG HA H 22 4.434 4.274 0.160 1
1 211 . 3 1 1 A 22 22 ARG C C 22 175.379 177.641 -2.262 1
1 212 . 3 1 1 A 22 22 ARG CA C 22 55.468 57.718 -2.250 1
1 213 . 3 1 1 A 22 22 ARG CB C 22 33.049 30.651 2.398 1
1 216 . 3 1 1 A 22 22 ARG N N 22 126.472 125.271 1.201 1
1 217 . 3 1 1 A 23 23 LYS H H 23 9.505 8.112 1.393 1
1 218 . 3 1 1 A 23 23 LYS HA H 23 3.839 4.399 -0.560 1
1 227 . 3 1 1 A 23 23 LYS C C 23 176.521 178.131 -1.610 1
1 228 . 3 1 1 A 23 23 LYS CA C 23 57.127 57.020 0.107 1
1 229 . 3 1 1 A 23 23 LYS CB C 23 29.988 34.828 -4.840 1
1 233 . 3 1 1 A 24 24 GLY H H 24 8.438 7.778 0.660 1
1 234 . 3 1 1 A 24 24 GLY HA2 H 24 4.124 4.065 0.059 1
1 235 . 3 1 1 A 24 24 GLY HA3 H 24 3.517 4.067 -0.550 1
1 236 . 3 1 1 A 24 24 GLY C C 24 173.338 173.975 -0.637 1
1 237 . 3 1 1 A 24 24 GLY CA C 24 45.481 45.439 0.042 1
1 238 . 3 1 1 A 24 24 GLY N N 24 103.048 106.807 -3.759 1
1 239 . 3 1 1 A 25 25 LYS H H 25 7.785 7.710 0.075 1
1 240 . 3 1 1 A 25 25 LYS HA H 25 4.635 4.935 -0.300 1
1 249 . 3 1 1 A 25 25 LYS C C 25 174.733 174.744 -0.011 1
1 250 . 3 1 1 A 25 25 LYS CA C 25 54.365 54.454 -0.089 1
1 251 . 3 1 1 A 25 25 LYS CB C 25 34.616 35.684 -1.068 1
1 255 . 3 1 1 A 25 25 LYS N N 25 121.463 117.468 3.995 1
1 256 . 3 1 1 A 26 26 LEU H H 26 8.555 8.796 -0.241 1
1 257 . 3 1 1 A 26 26 LEU HA H 26 4.763 4.946 -0.183 1
1 267 . 3 1 1 A 26 26 LEU C C 26 176.596 174.710 1.886 1
1 268 . 3 1 1 A 26 26 LEU CA C 26 54.999 53.683 1.316 1
1 269 . 3 1 1 A 26 26 LEU CB C 26 43.167 43.700 -0.533 1
1 273 . 3 1 1 A 26 26 LEU N N 26 124.731 124.830 -0.099 1
1 274 . 3 1 1 A 27 27 GLU H H 27 8.944 9.254 -0.310 1
1 275 . 3 1 1 A 27 27 GLU HA H 27 4.923 4.984 -0.061 1
1 280 . 3 1 1 A 27 27 GLU C C 27 174.422 175.093 -0.671 1
1 281 . 3 1 1 A 27 27 GLU CA C 27 53.874 54.788 -0.914 1
1 282 . 3 1 1 A 27 27 GLU CB C 27 35.191 32.538 2.653 1
1 284 . 3 1 1 A 27 27 GLU N N 27 122.189 126.174 -3.985 1
1 285 . 3 1 1 A 28 28 TYR H H 28 9.423 9.534 -0.111 1
1 286 . 3 1 1 A 28 28 TYR HA H 28 5.265 4.955 0.310 1
1 293 . 3 1 1 A 28 28 TYR C C 28 174.020 174.654 -0.634 1
1 294 . 3 1 1 A 28 28 TYR CA C 28 56.511 56.673 -0.162 1
1 295 . 3 1 1 A 28 28 TYR CB C 28 41.646 40.519 1.127 1
1 300 . 3 1 1 A 28 28 TYR N N 28 118.361 122.579 -4.218 1
1 301 . 3 1 1 A 29 29 LEU H H 29 7.779 8.640 -0.861 1
1 302 . 3 1 1 A 29 29 LEU HA H 29 3.634 3.444 0.190 1
1 312 . 3 1 1 A 29 29 LEU C C 29 173.992 174.666 -0.674 1
1 313 . 3 1 1 A 29 29 LEU CA C 29 53.680 54.010 -0.330 1
1 314 . 3 1 1 A 29 29 LEU CB C 29 40.115 41.267 -1.152 1
1 318 . 3 1 1 A 29 29 LEU N N 29 127.541 126.414 1.127 1
1 319 . 3 1 1 A 30 30 VAL H H 30 8.936 8.015 0.921 1
1 320 . 3 1 1 A 30 30 VAL HA H 30 3.915 3.857 0.058 1
1 328 . 3 1 1 A 30 30 VAL C C 30 173.840 174.463 -0.623 1
1 329 . 3 1 1 A 30 30 VAL CA C 30 62.106 61.910 0.196 1
1 330 . 3 1 1 A 30 30 VAL CB C 30 34.458 31.705 2.753 1
1 333 . 3 1 1 A 30 30 VAL N N 30 130.095 127.574 2.521 1
1 334 . 3 1 1 A 31 31 LYS H H 31 7.596 7.872 -0.276 1
1 335 . 3 1 1 A 31 31 LYS HA H 31 4.525 4.707 -0.182 1
1 344 . 3 1 1 A 31 31 LYS C C 31 175.379 174.571 0.808 1
1 345 . 3 1 1 A 31 31 LYS CA C 31 53.574 54.476 -0.902 1
1 346 . 3 1 1 A 31 31 LYS CB C 31 34.848 34.189 0.659 1
1 350 . 3 1 1 A 31 31 LYS N N 31 123.992 126.086 -2.094 1
1 351 . 3 1 1 A 32 32 TRP H H 32 9.368 8.270 1.098 1
1 352 . 3 1 1 A 32 32 TRP HA H 32 4.816 5.052 -0.236 1
1 361 . 3 1 1 A 32 32 TRP C C 32 176.830 176.776 0.054 1
1 362 . 3 1 1 A 32 32 TRP CA C 32 56.002 57.017 -1.015 1
1 363 . 3 1 1 A 32 32 TRP CB C 32 31.163 30.997 0.166 1
1 369 . 3 1 1 A 32 32 TRP N N 32 131.754 127.354 4.400 1
1 371 . 3 1 1 A 33 33 ARG H H 33 9.455 9.414 0.041 1
1 372 . 3 1 1 A 33 33 ARG HA H 33 4.345 4.343 0.002 1
1 379 . 3 1 1 A 33 33 ARG C C 33 178.092 179.175 -1.083 1
1 380 . 3 1 1 A 33 33 ARG CA C 33 57.590 58.914 -1.324 1
1 381 . 3 1 1 A 33 33 ARG CB C 33 30.400 30.544 -0.144 1
1 384 . 3 1 1 A 33 33 ARG N N 33 124.374 125.193 -0.819 1
1 385 . 3 1 1 A 34 34 GLY H H 34 9.319 8.393 0.926 1
1 386 . 3 1 1 A 34 34 GLY HA2 H 34 3.642 3.723 -0.081 1
1 387 . 3 1 1 A 34 34 GLY HA3 H 34 3.976 3.741 0.235 1
1 388 . 3 1 1 A 34 34 GLY CA C 34 45.636 47.391 -1.755 1
1 389 . 3 1 1 A 34 34 GLY N N 34 114.254 107.667 6.587 1
1 390 . 3 1 1 A 35 35 TRP H H 35 7.725 8.229 -0.504 1
1 391 . 3 1 1 A 35 35 TRP HA H 35 4.785 5.223 -0.438 1
1 400 . 3 1 1 A 35 35 TRP CA C 35 55.641 56.372 -0.731 1
1 401 . 3 1 1 A 35 35 TRP CB C 35 31.352 32.471 -1.119 1
1 407 . 3 1 1 A 35 35 TRP N N 35 120.008 119.881 0.127 1
1 409 . 3 1 1 A 36 36 SER H H 36 8.785 8.901 -0.116 1
1 410 . 3 1 1 A 36 36 SER HA H 36 4.587 4.443 0.144 1
1 413 . 3 1 1 A 36 36 SER CA C 36 58.364 59.110 -0.746 1
1 414 . 3 1 1 A 36 36 SER CB C 36 64.741 63.897 0.844 1
1 415 . 3 1 1 A 36 36 SER N N 36 117.243 119.525 -2.282 1
1 416 . 3 1 1 A 37 37 SER HA H 37 4.491 4.240 0.251 1
1 419 . 3 1 1 A 37 37 SER CA C 37 60.248 61.740 -1.492 1
1 420 . 3 1 1 A 37 37 SER CB C 37 63.340 63.061 0.279 1
1 421 . 3 1 1 A 38 38 LYS HA H 38 4.155 3.973 0.182 1
1 430 . 3 1 1 A 38 38 LYS CA C 38 58.001 59.358 -1.357 1
1 431 . 3 1 1 A 38 38 LYS CB C 38 32.378 31.934 0.444 1
1 435 . 3 1 1 A 39 39 HIS H H 39 8.245 8.162 0.083 1
1 436 . 3 1 1 A 39 39 HIS HA H 39 4.460 4.805 -0.345 1
1 441 . 3 1 1 A 39 39 HIS CA C 39 56.031 54.680 1.351 1
1 442 . 3 1 1 A 39 39 HIS CB C 39 30.068 27.972 2.096 1
1 445 . 3 1 1 A 39 39 HIS N N 39 117.908 114.824 3.084 1
1 446 . 3 1 1 A 40 40 ASN H H 40 7.746 7.697 0.049 1
1 447 . 3 1 1 A 40 40 ASN HA H 40 5.176 5.058 0.118 1
1 452 . 3 1 1 A 40 40 ASN C C 40 176.114 174.822 1.292 1
1 453 . 3 1 1 A 40 40 ASN CA C 40 54.102 53.114 0.988 1
1 454 . 3 1 1 A 40 40 ASN CB C 40 37.123 39.559 -2.436 1
1 455 . 3 1 1 A 40 40 ASN N N 40 121.018 118.993 2.025 1
1 457 . 3 1 1 A 41 41 SER H H 41 8.492 8.098 0.394 1
1 458 . 3 1 1 A 41 41 SER HA H 41 4.866 5.351 -0.485 1
1 461 . 3 1 1 A 41 41 SER C C 41 172.479 172.917 -0.438 1
1 462 . 3 1 1 A 41 41 SER CA C 41 57.145 56.792 0.353 1
1 463 . 3 1 1 A 41 41 SER CB C 41 66.057 65.873 0.184 1
1 464 . 3 1 1 A 41 41 SER N N 41 115.675 115.091 0.584 1
1 465 . 3 1 1 A 42 42 TRP H H 42 8.604 9.037 -0.433 1
1 466 . 3 1 1 A 42 42 TRP HA H 42 4.980 5.220 -0.240 1
1 475 . 3 1 1 A 42 42 TRP C C 42 177.025 175.885 1.140 1
1 476 . 3 1 1 A 42 42 TRP CA C 42 56.477 56.010 0.467 1
1 477 . 3 1 1 A 42 42 TRP CB C 42 29.625 29.997 -0.372 1
1 483 . 3 1 1 A 42 42 TRP N N 42 123.109 126.000 -2.891 1
1 485 . 3 1 1 A 43 43 GLU H H 43 9.916 8.574 1.342 1
1 486 . 3 1 1 A 43 43 GLU HA H 43 5.225 4.903 0.322 1
1 491 . 3 1 1 A 43 43 GLU C C 43 174.192 174.084 0.108 1
1 492 . 3 1 1 A 43 43 GLU CA C 43 52.230 53.168 -0.938 1
1 493 . 3 1 1 A 43 43 GLU CB C 43 32.537 30.983 1.554 1
1 495 . 3 1 1 A 43 43 GLU N N 43 125.182 124.695 0.487 1
1 496 . 3 1 1 A 44 44 PRO HA H 44 4.934 4.856 0.078 1
1 503 . 3 1 1 A 44 44 PRO C C 44 177.782 177.479 0.303 1
1 504 . 3 1 1 A 44 44 PRO CA C 44 62.525 62.624 -0.099 1
1 505 . 3 1 1 A 44 44 PRO CB C 44 32.730 32.621 0.109 1
1 508 . 3 1 1 A 45 45 GLU H H 45 8.637 9.169 -0.532 1
1 509 . 3 1 1 A 45 45 GLU HA H 45 3.965 4.179 -0.214 1
1 514 . 3 1 1 A 45 45 GLU C C 45 177.990 178.515 -0.525 1
1 515 . 3 1 1 A 45 45 GLU CA C 45 60.293 59.756 0.537 1
1 516 . 3 1 1 A 45 45 GLU CB C 45 30.235 29.508 0.727 1
1 518 . 3 1 1 A 45 45 GLU N N 45 120.441 122.878 -2.437 1
1 519 . 3 1 1 A 46 46 GLU H H 46 9.698 8.735 0.963 1
1 520 . 3 1 1 A 46 46 GLU HA H 46 4.243 4.172 0.071 1
1 525 . 3 1 1 A 46 46 GLU C C 46 176.547 177.972 -1.425 1
1 526 . 3 1 1 A 46 46 GLU CA C 46 58.693 58.659 0.034 1
1 527 . 3 1 1 A 46 46 GLU CB C 46 28.448 27.682 0.766 1
1 529 . 3 1 1 A 46 46 GLU N N 46 117.193 117.222 -0.029 1
1 530 . 3 1 1 A 47 47 ASN H H 47 8.119 8.003 0.116 1
1 531 . 3 1 1 A 47 47 ASN HA H 47 4.922 4.745 0.177 1
1 536 . 3 1 1 A 47 47 ASN C C 47 175.293 175.890 -0.597 1
1 537 . 3 1 1 A 47 47 ASN CA C 47 52.430 54.685 -2.255 1
1 538 . 3 1 1 A 47 47 ASN CB C 47 38.439 39.375 -0.936 1
1 539 . 3 1 1 A 47 47 ASN N N 47 118.023 116.677 1.346 1
1 541 . 3 1 1 A 48 48 ILE H H 48 7.695 7.367 0.328 1
1 542 . 3 1 1 A 48 48 ILE HA H 48 4.075 4.185 -0.110 1
1 552 . 3 1 1 A 48 48 ILE C C 48 175.029 175.633 -0.604 1
1 553 . 3 1 1 A 48 48 ILE CA C 48 59.749 61.799 -2.050 1
1 554 . 3 1 1 A 48 48 ILE CB C 48 35.109 37.153 -2.044 1
1 558 . 3 1 1 A 48 48 ILE N N 48 121.906 120.025 1.881 1
1 559 . 3 1 1 A 49 49 LEU H H 49 8.137 8.618 -0.481 1
1 560 . 3 1 1 A 49 49 LEU HA H 49 4.286 4.375 -0.089 1
1 570 . 3 1 1 A 49 49 LEU C C 49 176.808 176.984 -0.176 1
1 571 . 3 1 1 A 49 49 LEU CA C 49 55.748 56.423 -0.675 1
1 572 . 3 1 1 A 49 49 LEU CB C 49 42.088 43.012 -0.924 1
1 576 . 3 1 1 A 49 49 LEU N N 49 125.062 129.430 -4.368 1
1 577 . 3 1 1 A 50 50 ASP H H 50 7.284 7.835 -0.551 1
1 578 . 3 1 1 A 50 50 ASP HA H 50 5.077 4.826 0.251 1
1 581 . 3 1 1 A 50 50 ASP C C 50 174.968 176.020 -1.052 1
1 582 . 3 1 1 A 50 50 ASP CA C 50 50.443 51.995 -1.552 1
1 583 . 3 1 1 A 50 50 ASP CB C 50 41.822 40.864 0.958 1
1 584 . 3 1 1 A 50 50 ASP N N 50 118.019 118.678 -0.659 1
1 585 . 3 1 1 A 51 51 PRO HA H 51 4.258 4.271 -0.013 1
1 592 . 3 1 1 A 51 51 PRO C C 51 179.037 178.802 0.235 1
1 593 . 3 1 1 A 51 51 PRO CA C 51 64.372 64.929 -0.557 1
1 594 . 3 1 1 A 51 51 PRO CB C 51 32.382 32.059 0.323 1
1 597 . 3 1 1 A 52 52 ARG H H 52 8.253 8.493 -0.240 1
1 598 . 3 1 1 A 52 52 ARG HA H 52 3.995 4.059 -0.064 1
1 605 . 3 1 1 A 52 52 ARG C C 52 179.774 178.823 0.951 1
1 606 . 3 1 1 A 52 52 ARG CA C 52 59.255 59.153 0.102 1
1 607 . 3 1 1 A 52 52 ARG CB C 52 29.608 29.916 -0.308 1
1 610 . 3 1 1 A 52 52 ARG N N 52 117.657 118.473 -0.816 1
1 611 . 3 1 1 A 53 53 LEU H H 53 7.576 7.902 -0.326 1
1 612 . 3 1 1 A 53 53 LEU HA H 53 4.043 3.940 0.103 1
1 622 . 3 1 1 A 53 53 LEU C C 53 180.197 178.947 1.250 1
1 623 . 3 1 1 A 53 53 LEU CA C 53 57.620 57.776 -0.156 1
1 624 . 3 1 1 A 53 53 LEU CB C 53 42.080 41.691 0.389 1
1 628 . 3 1 1 A 53 53 LEU N N 53 118.887 120.110 -1.223 1
1 629 . 3 1 1 A 54 54 LEU H H 54 7.185 8.093 -0.908 1
1 630 . 3 1 1 A 54 54 LEU HA H 54 3.966 3.707 0.259 1
1 640 . 3 1 1 A 54 54 LEU C C 54 178.631 179.024 -0.393 1
1 641 . 3 1 1 A 54 54 LEU CA C 54 57.549 57.980 -0.431 1
1 642 . 3 1 1 A 54 54 LEU CB C 54 41.646 41.767 -0.121 1
1 646 . 3 1 1 A 54 54 LEU N N 54 119.814 117.644 2.170 1
1 647 . 3 1 1 A 55 55 LEU H H 55 7.791 8.351 -0.560 1
1 648 . 3 1 1 A 55 55 LEU HA H 55 4.132 3.871 0.261 1
1 658 . 3 1 1 A 55 55 LEU C C 55 179.501 178.676 0.825 1
1 659 . 3 1 1 A 55 55 LEU CA C 55 58.007 58.179 -0.172 1
1 660 . 3 1 1 A 55 55 LEU CB C 55 41.523 41.570 -0.047 1
1 664 . 3 1 1 A 55 55 LEU N N 55 120.290 118.242 2.048 1
1 665 . 3 1 1 A 56 56 ALA H H 56 7.771 8.199 -0.428 1
1 666 . 3 1 1 A 56 56 ALA HA H 56 4.145 4.083 0.062 1
1 670 . 3 1 1 A 56 56 ALA C C 56 180.157 180.068 0.089 1
1 671 . 3 1 1 A 56 56 ALA CA C 56 54.963 55.132 -0.169 1
1 672 . 3 1 1 A 56 56 ALA CB C 56 18.232 18.538 -0.306 1
1 673 . 3 1 1 A 56 56 ALA N N 56 119.874 120.288 -0.414 1
1 674 . 3 1 1 A 57 57 PHE H H 57 7.526 7.587 -0.061 1
1 675 . 3 1 1 A 57 57 PHE HA H 57 4.451 4.142 0.309 1
1 683 . 3 1 1 A 57 57 PHE C C 57 176.838 177.397 -0.559 1
1 684 . 3 1 1 A 57 57 PHE CA C 57 60.822 61.409 -0.587 1
1 685 . 3 1 1 A 57 57 PHE CB C 57 39.878 39.240 0.638 1
1 691 . 3 1 1 A 57 57 PHE N N 57 119.210 119.341 -0.131 1
1 692 . 3 1 1 A 58 58 GLN H H 58 8.415 8.618 -0.203 1
1 693 . 3 1 1 A 58 58 GLN HA H 58 3.874 4.168 -0.294 1
1 700 . 3 1 1 A 58 58 GLN C C 58 178.639 178.744 -0.105 1
1 701 . 3 1 1 A 58 58 GLN CA C 58 58.499 59.134 -0.635 1
1 702 . 3 1 1 A 58 58 GLN CB C 58 28.325 28.259 0.066 1
1 704 . 3 1 1 A 58 58 GLN N N 58 118.702 117.820 0.882 1
1 706 . 3 1 1 A 59 59 LYS H H 59 7.918 7.823 0.095 1
1 707 . 3 1 1 A 59 59 LYS HA H 59 4.121 4.083 0.038 1
1 716 . 3 1 1 A 59 59 LYS C C 59 178.269 179.492 -1.223 1
1 717 . 3 1 1 A 59 59 LYS CA C 59 58.921 59.370 -0.449 1
1 718 . 3 1 1 A 59 59 LYS CB C 59 32.437 32.194 0.243 1
1 722 . 3 1 1 A 59 59 LYS N N 59 119.131 120.191 -1.060 1
1 723 . 3 1 1 A 60 60 LYS H H 60 7.595 7.610 -0.015 1
1 724 . 3 1 1 A 60 60 LYS HA H 60 4.133 3.976 0.157 1
1 733 . 3 1 1 A 60 60 LYS C C 60 178.836 179.456 -0.620 1
1 734 . 3 1 1 A 60 60 LYS CA C 60 58.323 59.793 -1.470 1
1 735 . 3 1 1 A 60 60 LYS CB C 60 32.150 31.907 0.243 1
1 739 . 3 1 1 A 60 60 LYS N N 60 120.016 119.499 0.517 1
1 740 . 3 1 1 A 61 61 GLU H H 61 8.095 8.202 -0.107 1
1 741 . 3 1 1 A 61 61 GLU HA H 61 3.936 3.795 0.141 1
1 746 . 3 1 1 A 61 61 GLU C C 61 178.233 178.756 -0.523 1
1 747 . 3 1 1 A 61 61 GLU CA C 61 58.605 59.303 -0.698 1
1 748 . 3 1 1 A 61 61 GLU CB C 61 29.806 29.409 0.397 1
1 750 . 3 1 1 A 61 61 GLU N N 61 119.560 119.587 -0.027 1
1 751 . 3 1 1 A 62 62 HIS H H 62 8.037 8.121 -0.084 1
1 752 . 3 1 1 A 62 62 HIS HA H 62 4.517 4.402 0.115 1
1 757 . 3 1 1 A 62 62 HIS C C 62 176.449 176.634 -0.185 1
1 758 . 3 1 1 A 62 62 HIS CA C 62 57.740 60.001 -2.261 1
1 759 . 3 1 1 A 62 62 HIS CB C 62 29.928 29.820 0.108 1
1 762 . 3 1 1 A 62 62 HIS N N 62 118.437 119.645 -1.208 1
1 763 . 3 1 1 A 63 63 GLU H H 63 8.010 8.429 -0.419 1
1 764 . 3 1 1 A 63 63 GLU HA H 63 4.096 3.852 0.244 1
1 769 . 3 1 1 A 63 63 GLU C C 63 177.485 179.132 -1.647 1
1 770 . 3 1 1 A 63 63 GLU CA C 63 57.954 59.914 -1.960 1
1 771 . 3 1 1 A 63 63 GLU CB C 63 29.783 29.300 0.483 1
1 773 . 3 1 1 A 63 63 GLU N N 63 119.622 117.525 2.097 1
1 774 . 3 1 1 A 64 64 LYS H H 64 7.874 7.639 0.235 1
1 775 . 3 1 1 A 64 64 LYS HA H 64 4.213 4.218 -0.005 1
1 784 . 3 1 1 A 64 64 LYS C C 64 177.341 176.971 0.370 1
1 785 . 3 1 1 A 64 64 LYS CA C 64 57.479 58.677 -1.198 1
1 786 . 3 1 1 A 64 64 LYS CB C 64 32.684 32.972 -0.288 1
1 790 . 3 1 1 A 64 64 LYS N N 64 119.617 118.628 0.989 1
1 791 . 3 1 1 A 65 65 GLU H H 65 8.044 7.948 0.096 1
1 792 . 3 1 1 A 65 65 GLU HA H 65 4.236 4.717 -0.481 1
1 797 . 3 1 1 A 65 65 GLU C C 65 177.451 174.737 2.714 1
1 798 . 3 1 1 A 65 65 GLU CA C 65 57.426 54.740 2.686 1
1 799 . 3 1 1 A 65 65 GLU CB C 65 29.971 34.121 -4.150 1
1 801 . 3 1 1 A 65 65 GLU N N 65 120.606 117.388 3.218 1
1 802 . 3 1 1 A 66 66 VAL H H 66 8.028 8.650 -0.622 1
1 803 . 3 1 1 A 66 66 VAL HA H 66 4.035 4.728 -0.693 1
1 811 . 3 1 1 A 66 66 VAL C C 66 176.848 174.737 2.111 1
1 812 . 3 1 1 A 66 66 VAL CA C 66 63.160 59.899 3.261 1
1 813 . 3 1 1 A 66 66 VAL CB C 66 32.396 34.727 -2.331 1
1 816 . 3 1 1 A 66 66 VAL N N 66 119.834 117.718 2.116 1
1 817 . 3 1 1 A 67 67 GLN H H 67 8.265 8.353 -0.088 1
1 818 . 3 1 1 A 67 67 GLN HA H 67 4.313 4.852 -0.539 1
1 825 . 3 1 1 A 67 67 GLN C C 67 176.073 175.404 0.669 1
1 826 . 3 1 1 A 67 67 GLN CA C 67 56.283 54.485 1.798 1
1 827 . 3 1 1 A 67 67 GLN CB C 67 29.216 28.808 0.408 1
1 829 . 3 1 1 A 67 67 GLN N N 67 122.698 123.432 -0.734 1
1 831 . 3 1 1 A 68 68 ASN H H 68 8.391 8.619 -0.228 1
1 832 . 3 1 1 A 68 68 ASN HA H 68 4.782 4.343 0.439 1
1 837 . 3 1 1 A 68 68 ASN C C 68 175.242 173.846 1.396 1
1 838 . 3 1 1 A 68 68 ASN CA C 68 53.487 54.246 -0.759 1
1 839 . 3 1 1 A 68 68 ASN CB C 68 39.138 36.987 2.151 1
1 840 . 3 1 1 A 68 68 ASN N N 68 119.609 115.378 4.231 1
1 842 . 3 1 1 A 69 69 SER H H 69 8.272 7.543 0.729 1
1 843 . 3 1 1 A 69 69 SER HA H 69 4.501 5.119 -0.618 1
1 846 . 3 1 1 A 69 69 SER C C 69 174.630 173.166 1.464 1
1 847 . 3 1 1 A 69 69 SER CA C 69 58.587 57.535 1.052 1
1 848 . 3 1 1 A 69 69 SER CB C 69 64.174 67.723 -3.549 1
1 849 . 3 1 1 A 69 69 SER N N 69 116.106 112.544 3.562 1
1 850 . 3 1 1 A 70 70 GLY H H 70 8.251 8.283 -0.032 1
1 851 . 3 1 1 A 70 70 GLY HA2 H 70 4.175 4.231 -0.056 1
1 852 . 3 1 1 A 70 70 GLY HA3 H 70 4.144 4.240 -0.096 1
1 853 . 3 1 1 A 70 70 GLY C C 70 171.843 172.153 -0.310 1
1 854 . 3 1 1 A 70 70 GLY CA C 70 44.709 45.403 -0.694 1
1 855 . 3 1 1 A 70 70 GLY N N 70 110.658 109.192 1.466 1
1 856 . 3 1 1 A 71 71 PRO HA H 71 4.501 4.627 -0.126 1
1 863 . 3 1 1 A 71 71 PRO C C 71 177.457 177.551 -0.094 1
1 864 . 3 1 1 A 71 71 PRO CA C 71 63.300 62.214 1.086 1
1 865 . 3 1 1 A 71 71 PRO CB C 71 32.008 30.372 1.636 1
1 868 . 3 1 1 A 72 72 SER H H 72 8.536 8.427 0.109 1
1 869 . 3 1 1 A 72 72 SER CA C 72 58.429 61.253 -2.824 1
1 1 . 4 1 1 A 6 6 SER HA H 6 4.501 4.477 0.024 1
1 4 . 4 1 1 A 6 6 SER C C 6 175.089 174.556 0.533 1
1 5 . 4 1 1 A 6 6 SER CA C 6 58.675 58.317 0.358 1
1 6 . 4 1 1 A 6 6 SER CB C 6 63.909 63.661 0.248 1
1 7 . 4 1 1 A 7 7 GLY H H 7 8.374 8.591 -0.217 1
1 8 . 4 1 1 A 7 7 GLY HA2 H 7 3.966 4.234 -0.268 1
1 9 . 4 1 1 A 7 7 GLY HA3 H 7 3.966 4.237 -0.271 1
1 10 . 4 1 1 A 7 7 GLY C C 7 174.147 172.516 1.631 1
1 11 . 4 1 1 A 7 7 GLY CA C 7 45.359 45.833 -0.474 1
1 12 . 4 1 1 A 7 7 GLY N N 7 110.638 110.323 0.315 1
1 13 . 4 1 1 A 8 8 GLU H H 8 8.255 8.473 -0.218 1
1 14 . 4 1 1 A 8 8 GLU HA H 8 4.273 4.164 0.109 1
1 19 . 4 1 1 A 8 8 GLU C C 8 176.471 176.490 -0.019 1
1 20 . 4 1 1 A 8 8 GLU CA C 8 56.582 57.381 -0.799 1
1 21 . 4 1 1 A 8 8 GLU CB C 8 30.299 29.956 0.343 1
1 23 . 4 1 1 A 8 8 GLU N N 8 120.542 123.418 -2.876 1
1 24 . 4 1 1 A 9 9 GLN H H 9 8.397 8.364 0.033 1
1 25 . 4 1 1 A 9 9 GLN HA H 9 4.332 4.151 0.181 1
1 32 . 4 1 1 A 9 9 GLN C C 9 175.365 176.094 -0.729 1
1 33 . 4 1 1 A 9 9 GLN CA C 9 55.668 56.273 -0.605 1
1 34 . 4 1 1 A 9 9 GLN CB C 9 29.560 28.946 0.614 1
1 36 . 4 1 1 A 9 9 GLN N N 9 121.410 122.408 -0.998 1
1 38 . 4 1 1 A 10 10 VAL H H 10 8.104 8.715 -0.611 1
1 39 . 4 1 1 A 10 10 VAL HA H 10 4.054 4.894 -0.840 1
1 47 . 4 1 1 A 10 10 VAL C C 10 175.736 174.874 0.862 1
1 48 . 4 1 1 A 10 10 VAL CA C 10 62.334 59.968 2.366 1
1 49 . 4 1 1 A 10 10 VAL CB C 10 33.136 34.401 -1.265 1
1 52 . 4 1 1 A 10 10 VAL N N 10 121.590 118.993 2.597 1
1 53 . 4 1 1 A 11 11 PHE H H 11 8.491 9.132 -0.641 1
1 54 . 4 1 1 A 11 11 PHE HA H 11 4.696 4.806 -0.110 1
1 62 . 4 1 1 A 11 11 PHE C C 11 174.477 174.846 -0.369 1
1 63 . 4 1 1 A 11 11 PHE CA C 11 57.444 57.003 0.441 1
1 64 . 4 1 1 A 11 11 PHE CB C 11 39.467 38.773 0.694 1
1 70 . 4 1 1 A 11 11 PHE N N 11 125.302 121.719 3.583 1
1 71 . 4 1 1 A 12 12 ALA H H 12 9.203 9.122 0.081 1
1 72 . 4 1 1 A 12 12 ALA HA H 12 4.866 4.893 -0.027 1
1 76 . 4 1 1 A 12 12 ALA C C 12 176.813 176.150 0.663 1
1 77 . 4 1 1 A 12 12 ALA CA C 12 51.252 50.909 0.343 1
1 78 . 4 1 1 A 12 12 ALA CB C 12 20.719 19.915 0.804 1
1 79 . 4 1 1 A 12 12 ALA N N 12 127.219 128.059 -0.840 1
1 80 . 4 1 1 A 13 13 ALA H H 13 8.891 9.017 -0.126 1
1 81 . 4 1 1 A 13 13 ALA HA H 13 3.874 4.010 -0.136 1
1 85 . 4 1 1 A 13 13 ALA C C 13 176.194 177.212 -1.018 1
1 86 . 4 1 1 A 13 13 ALA CA C 13 53.380 51.593 1.787 1
1 87 . 4 1 1 A 13 13 ALA CB C 13 19.448 18.392 1.056 1
1 88 . 4 1 1 A 13 13 ALA N N 13 126.618 127.879 -1.261 1
1 89 . 4 1 1 A 14 14 GLU H H 14 9.604 9.132 0.472 1
1 90 . 4 1 1 A 14 14 GLU HA H 14 4.336 4.038 0.298 1
1 95 . 4 1 1 A 14 14 GLU C C 14 176.093 175.947 0.146 1
1 96 . 4 1 1 A 14 14 GLU CA C 14 57.356 59.429 -2.073 1
1 97 . 4 1 1 A 14 14 GLU CB C 14 32.273 30.421 1.852 1
1 99 . 4 1 1 A 14 14 GLU N N 14 123.285 124.346 -1.061 1
1 100 . 4 1 1 A 15 15 CYS H H 15 7.655 7.476 0.179 1
1 101 . 4 1 1 A 15 15 CYS HA H 15 4.527 4.552 -0.025 1
1 104 . 4 1 1 A 15 15 CYS C C 15 171.003 172.773 -1.770 1
1 105 . 4 1 1 A 15 15 CYS CA C 15 56.674 58.247 -1.573 1
1 106 . 4 1 1 A 15 15 CYS CB C 15 29.765 30.704 -0.939 1
1 107 . 4 1 1 A 15 15 CYS N N 15 110.806 116.307 -5.501 1
1 108 . 4 1 1 A 16 16 ILE H H 16 8.316 8.659 -0.343 1
1 109 . 4 1 1 A 16 16 ILE HA H 16 4.344 4.025 0.319 1
1 119 . 4 1 1 A 16 16 ILE C C 16 175.432 175.596 -0.164 1
1 120 . 4 1 1 A 16 16 ILE CA C 16 60.047 61.753 -1.706 1
1 121 . 4 1 1 A 16 16 ILE CB C 16 39.308 37.410 1.898 1
1 125 . 4 1 1 A 16 16 ILE N N 16 121.665 124.465 -2.800 1
1 126 . 4 1 1 A 17 17 LEU H H 17 9.207 9.201 0.006 1
1 127 . 4 1 1 A 17 17 LEU HA H 17 4.425 4.431 -0.006 1
1 137 . 4 1 1 A 17 17 LEU C C 17 177.573 176.349 1.224 1
1 138 . 4 1 1 A 17 17 LEU CA C 17 55.825 55.830 -0.005 1
1 139 . 4 1 1 A 17 17 LEU CB C 17 44.400 42.493 1.907 1
1 143 . 4 1 1 A 17 17 LEU N N 17 124.728 129.506 -4.778 1
1 144 . 4 1 1 A 18 18 SER H H 18 7.082 7.326 -0.244 1
1 145 . 4 1 1 A 18 18 SER HA H 18 4.778 4.956 -0.178 1
1 148 . 4 1 1 A 18 18 SER C C 18 171.685 172.328 -0.643 1
1 149 . 4 1 1 A 18 18 SER CA C 18 57.075 56.767 0.308 1
1 150 . 4 1 1 A 18 18 SER CB C 18 64.550 65.102 -0.552 1
1 151 . 4 1 1 A 18 18 SER N N 18 110.441 109.531 0.910 1
1 152 . 4 1 1 A 19 19 LYS H H 19 8.745 9.192 -0.447 1
1 153 . 4 1 1 A 19 19 LYS HA H 19 5.836 5.557 0.279 1
1 162 . 4 1 1 A 19 19 LYS C C 19 174.068 174.605 -0.537 1
1 163 . 4 1 1 A 19 19 LYS CA C 19 54.770 54.439 0.331 1
1 164 . 4 1 1 A 19 19 LYS CB C 19 37.493 37.206 0.287 1
1 168 . 4 1 1 A 19 19 LYS N N 19 120.354 119.304 1.050 1
1 169 . 4 1 1 A 20 20 ARG H H 20 9.264 8.757 0.507 1
1 170 . 4 1 1 A 20 20 ARG HA H 20 4.703 5.135 -0.432 1
1 178 . 4 1 1 A 20 20 ARG C C 20 171.618 173.950 -2.332 1
1 179 . 4 1 1 A 20 20 ARG CA C 20 54.471 54.756 -0.285 1
1 180 . 4 1 1 A 20 20 ARG CB C 20 32.578 34.170 -1.592 1
1 183 . 4 1 1 A 20 20 ARG N N 20 119.809 119.102 0.707 1
1 185 . 4 1 1 A 21 21 LEU H H 21 8.286 8.599 -0.313 1
1 186 . 4 1 1 A 21 21 LEU HA H 21 4.927 4.989 -0.062 1
1 196 . 4 1 1 A 21 21 LEU C C 21 176.880 176.197 0.683 1
1 197 . 4 1 1 A 21 21 LEU CA C 21 53.433 54.172 -0.739 1
1 198 . 4 1 1 A 21 21 LEU CB C 21 43.905 45.379 -1.474 1
1 202 . 4 1 1 A 21 21 LEU N N 21 121.552 121.962 -0.410 1
1 203 . 4 1 1 A 22 22 ARG H H 22 9.146 8.795 0.351 1
1 204 . 4 1 1 A 22 22 ARG HA H 22 4.434 4.406 0.028 1
1 211 . 4 1 1 A 22 22 ARG C C 22 175.379 175.417 -0.038 1
1 212 . 4 1 1 A 22 22 ARG CA C 22 55.468 57.118 -1.650 1
1 213 . 4 1 1 A 22 22 ARG CB C 22 33.049 32.277 0.772 1
1 216 . 4 1 1 A 22 22 ARG N N 22 126.472 128.278 -1.806 1
1 217 . 4 1 1 A 23 23 LYS H H 23 9.505 7.963 1.542 1
1 218 . 4 1 1 A 23 23 LYS HA H 23 3.839 4.392 -0.553 1
1 227 . 4 1 1 A 23 23 LYS C C 23 176.521 175.905 0.616 1
1 228 . 4 1 1 A 23 23 LYS CA C 23 57.127 54.889 2.238 1
1 229 . 4 1 1 A 23 23 LYS CB C 23 29.988 33.057 -3.069 1
1 233 . 4 1 1 A 24 24 GLY H H 24 8.438 8.370 0.068 1
1 234 . 4 1 1 A 24 24 GLY HA2 H 24 4.124 3.880 0.244 1
1 235 . 4 1 1 A 24 24 GLY HA3 H 24 3.517 3.882 -0.365 1
1 236 . 4 1 1 A 24 24 GLY C C 24 173.338 174.067 -0.729 1
1 237 . 4 1 1 A 24 24 GLY CA C 24 45.481 46.680 -1.199 1
1 238 . 4 1 1 A 24 24 GLY N N 24 103.048 114.169 -11.121 1
1 239 . 4 1 1 A 25 25 LYS H H 25 7.785 7.828 -0.043 1
1 240 . 4 1 1 A 25 25 LYS HA H 25 4.635 4.611 0.024 1
1 249 . 4 1 1 A 25 25 LYS C C 25 174.733 174.323 0.410 1
1 250 . 4 1 1 A 25 25 LYS CA C 25 54.365 54.785 -0.420 1
1 251 . 4 1 1 A 25 25 LYS CB C 25 34.616 34.537 0.079 1
1 255 . 4 1 1 A 25 25 LYS N N 25 121.463 120.029 1.434 1
1 256 . 4 1 1 A 26 26 LEU H H 26 8.555 8.625 -0.070 1
1 257 . 4 1 1 A 26 26 LEU HA H 26 4.763 4.950 -0.187 1
1 267 . 4 1 1 A 26 26 LEU C C 26 176.596 174.487 2.109 1
1 268 . 4 1 1 A 26 26 LEU CA C 26 54.999 54.009 0.990 1
1 269 . 4 1 1 A 26 26 LEU CB C 26 43.167 43.366 -0.199 1
1 273 . 4 1 1 A 26 26 LEU N N 26 124.731 126.982 -2.251 1
1 274 . 4 1 1 A 27 27 GLU H H 27 8.944 9.201 -0.257 1
1 275 . 4 1 1 A 27 27 GLU HA H 27 4.923 5.136 -0.213 1
1 280 . 4 1 1 A 27 27 GLU C C 27 174.422 174.910 -0.488 1
1 281 . 4 1 1 A 27 27 GLU CA C 27 53.874 54.814 -0.940 1
1 282 . 4 1 1 A 27 27 GLU CB C 27 35.191 33.043 2.148 1
1 284 . 4 1 1 A 27 27 GLU N N 27 122.189 126.306 -4.117 1
1 285 . 4 1 1 A 28 28 TYR H H 28 9.423 9.454 -0.031 1
1 286 . 4 1 1 A 28 28 TYR HA H 28 5.265 5.005 0.260 1
1 293 . 4 1 1 A 28 28 TYR C C 28 174.020 174.634 -0.614 1
1 294 . 4 1 1 A 28 28 TYR CA C 28 56.511 56.413 0.098 1
1 295 . 4 1 1 A 28 28 TYR CB C 28 41.646 41.010 0.636 1
1 300 . 4 1 1 A 28 28 TYR N N 28 118.361 122.524 -4.163 1
1 301 . 4 1 1 A 29 29 LEU H H 29 7.779 8.457 -0.678 1
1 302 . 4 1 1 A 29 29 LEU HA H 29 3.634 3.351 0.283 1
1 312 . 4 1 1 A 29 29 LEU C C 29 173.992 174.606 -0.614 1
1 313 . 4 1 1 A 29 29 LEU CA C 29 53.680 54.090 -0.410 1
1 314 . 4 1 1 A 29 29 LEU CB C 29 40.115 41.456 -1.341 1
1 318 . 4 1 1 A 29 29 LEU N N 29 127.541 126.050 1.491 1
1 319 . 4 1 1 A 30 30 VAL H H 30 8.936 7.935 1.001 1
1 320 . 4 1 1 A 30 30 VAL HA H 30 3.915 4.064 -0.149 1
1 328 . 4 1 1 A 30 30 VAL C C 30 173.840 174.268 -0.428 1
1 329 . 4 1 1 A 30 30 VAL CA C 30 62.106 61.429 0.677 1
1 330 . 4 1 1 A 30 30 VAL CB C 30 34.458 32.129 2.329 1
1 333 . 4 1 1 A 30 30 VAL N N 30 130.095 128.249 1.846 1
1 334 . 4 1 1 A 31 31 LYS H H 31 7.596 8.285 -0.689 1
1 335 . 4 1 1 A 31 31 LYS HA H 31 4.525 4.545 -0.020 1
1 344 . 4 1 1 A 31 31 LYS C C 31 175.379 174.595 0.784 1
1 345 . 4 1 1 A 31 31 LYS CA C 31 53.574 54.518 -0.944 1
1 346 . 4 1 1 A 31 31 LYS CB C 31 34.848 34.344 0.504 1
1 350 . 4 1 1 A 31 31 LYS N N 31 123.992 125.821 -1.829 1
1 351 . 4 1 1 A 32 32 TRP H H 32 9.368 8.707 0.661 1
1 352 . 4 1 1 A 32 32 TRP HA H 32 4.816 5.256 -0.440 1
1 361 . 4 1 1 A 32 32 TRP C C 32 176.830 176.300 0.530 1
1 362 . 4 1 1 A 32 32 TRP CA C 32 56.002 56.702 -0.700 1
1 363 . 4 1 1 A 32 32 TRP CB C 32 31.163 31.259 -0.096 1
1 369 . 4 1 1 A 32 32 TRP N N 32 131.754 128.423 3.331 1
1 371 . 4 1 1 A 33 33 ARG H H 33 9.455 8.488 0.967 1
1 372 . 4 1 1 A 33 33 ARG HA H 33 4.345 3.827 0.518 1
1 379 . 4 1 1 A 33 33 ARG C C 33 178.092 177.322 0.770 1
1 380 . 4 1 1 A 33 33 ARG CA C 33 57.590 58.401 -0.811 1
1 381 . 4 1 1 A 33 33 ARG CB C 33 30.400 30.159 0.241 1
1 384 . 4 1 1 A 33 33 ARG N N 33 124.374 124.339 0.035 1
1 385 . 4 1 1 A 34 34 GLY H H 34 9.319 8.869 0.450 1
1 386 . 4 1 1 A 34 34 GLY HA2 H 34 3.642 3.620 0.022 1
1 387 . 4 1 1 A 34 34 GLY HA3 H 34 3.976 3.829 0.147 1
1 388 . 4 1 1 A 34 34 GLY CA C 34 45.636 45.380 0.256 1
1 389 . 4 1 1 A 34 34 GLY N N 34 114.254 111.169 3.085 1
1 390 . 4 1 1 A 35 35 TRP H H 35 7.725 7.871 -0.146 1
1 391 . 4 1 1 A 35 35 TRP HA H 35 4.785 4.684 0.101 1
1 400 . 4 1 1 A 35 35 TRP CA C 35 55.641 58.002 -2.361 1
1 401 . 4 1 1 A 35 35 TRP CB C 35 31.352 28.727 2.625 1
1 407 . 4 1 1 A 35 35 TRP N N 35 120.008 121.885 -1.877 1
1 409 . 4 1 1 A 36 36 SER H H 36 8.785 8.908 -0.123 1
1 410 . 4 1 1 A 36 36 SER HA H 36 4.587 4.630 -0.043 1
1 413 . 4 1 1 A 36 36 SER CA C 36 58.364 58.059 0.305 1
1 414 . 4 1 1 A 36 36 SER CB C 36 64.741 65.046 -0.305 1
1 415 . 4 1 1 A 36 36 SER N N 36 117.243 121.699 -4.456 1
1 416 . 4 1 1 A 37 37 SER HA H 37 4.491 4.121 0.370 1
1 419 . 4 1 1 A 37 37 SER CA C 37 60.248 62.187 -1.939 1
1 420 . 4 1 1 A 37 37 SER CB C 37 63.340 62.631 0.709 1
1 421 . 4 1 1 A 38 38 LYS HA H 38 4.155 4.036 0.119 1
1 430 . 4 1 1 A 38 38 LYS CA C 38 58.001 58.739 -0.738 1
1 431 . 4 1 1 A 38 38 LYS CB C 38 32.378 32.271 0.107 1
1 435 . 4 1 1 A 39 39 HIS H H 39 8.245 8.040 0.205 1
1 436 . 4 1 1 A 39 39 HIS HA H 39 4.460 4.721 -0.261 1
1 441 . 4 1 1 A 39 39 HIS CA C 39 56.031 54.658 1.373 1
1 442 . 4 1 1 A 39 39 HIS CB C 39 30.068 27.731 2.337 1
1 445 . 4 1 1 A 39 39 HIS N N 39 117.908 115.056 2.852 1
1 446 . 4 1 1 A 40 40 ASN H H 40 7.746 8.448 -0.702 1
1 447 . 4 1 1 A 40 40 ASN HA H 40 5.176 5.581 -0.405 1
1 452 . 4 1 1 A 40 40 ASN C C 40 176.114 174.022 2.092 1
1 453 . 4 1 1 A 40 40 ASN CA C 40 54.102 52.136 1.966 1
1 454 . 4 1 1 A 40 40 ASN CB C 40 37.123 42.652 -5.529 1
1 455 . 4 1 1 A 40 40 ASN N N 40 121.018 120.780 0.238 1
1 457 . 4 1 1 A 41 41 SER H H 41 8.492 9.020 -0.528 1
1 458 . 4 1 1 A 41 41 SER HA H 41 4.866 5.529 -0.663 1
1 461 . 4 1 1 A 41 41 SER C C 41 172.479 172.960 -0.481 1
1 462 . 4 1 1 A 41 41 SER CA C 41 57.145 56.291 0.854 1
1 463 . 4 1 1 A 41 41 SER CB C 41 66.057 66.232 -0.175 1
1 464 . 4 1 1 A 41 41 SER N N 41 115.675 116.509 -0.834 1
1 465 . 4 1 1 A 42 42 TRP H H 42 8.604 9.122 -0.518 1
1 466 . 4 1 1 A 42 42 TRP HA H 42 4.980 5.378 -0.398 1
1 475 . 4 1 1 A 42 42 TRP C C 42 177.025 175.768 1.257 1
1 476 . 4 1 1 A 42 42 TRP CA C 42 56.477 55.761 0.716 1
1 477 . 4 1 1 A 42 42 TRP CB C 42 29.625 30.676 -1.051 1
1 483 . 4 1 1 A 42 42 TRP N N 42 123.109 125.966 -2.857 1
1 485 . 4 1 1 A 43 43 GLU H H 43 9.916 8.592 1.324 1
1 486 . 4 1 1 A 43 43 GLU HA H 43 5.225 4.885 0.340 1
1 491 . 4 1 1 A 43 43 GLU C C 43 174.192 174.097 0.095 1
1 492 . 4 1 1 A 43 43 GLU CA C 43 52.230 53.190 -0.960 1
1 493 . 4 1 1 A 43 43 GLU CB C 43 32.537 31.064 1.473 1
1 495 . 4 1 1 A 43 43 GLU N N 43 125.182 124.375 0.807 1
1 496 . 4 1 1 A 44 44 PRO HA H 44 4.934 4.988 -0.054 1
1 503 . 4 1 1 A 44 44 PRO C C 44 177.782 177.854 -0.072 1
1 504 . 4 1 1 A 44 44 PRO CA C 44 62.525 62.557 -0.032 1
1 505 . 4 1 1 A 44 44 PRO CB C 44 32.730 32.698 0.032 1
1 508 . 4 1 1 A 45 45 GLU H H 45 8.637 9.471 -0.834 1
1 509 . 4 1 1 A 45 45 GLU HA H 45 3.965 4.135 -0.170 1
1 514 . 4 1 1 A 45 45 GLU C C 45 177.990 178.600 -0.610 1
1 515 . 4 1 1 A 45 45 GLU CA C 45 60.293 59.701 0.592 1
1 516 . 4 1 1 A 45 45 GLU CB C 45 30.235 29.768 0.467 1
1 518 . 4 1 1 A 45 45 GLU N N 45 120.441 123.260 -2.819 1
1 519 . 4 1 1 A 46 46 GLU H H 46 9.698 8.718 0.980 1
1 520 . 4 1 1 A 46 46 GLU HA H 46 4.243 4.087 0.156 1
1 525 . 4 1 1 A 46 46 GLU C C 46 176.547 178.258 -1.711 1
1 526 . 4 1 1 A 46 46 GLU CA C 46 58.693 58.708 -0.015 1
1 527 . 4 1 1 A 46 46 GLU CB C 46 28.448 28.118 0.330 1
1 529 . 4 1 1 A 46 46 GLU N N 46 117.193 117.255 -0.062 1
1 530 . 4 1 1 A 47 47 ASN H H 47 8.119 8.173 -0.054 1
1 531 . 4 1 1 A 47 47 ASN HA H 47 4.922 4.733 0.189 1
1 536 . 4 1 1 A 47 47 ASN C C 47 175.293 176.194 -0.901 1
1 537 . 4 1 1 A 47 47 ASN CA C 47 52.430 55.102 -2.672 1
1 538 . 4 1 1 A 47 47 ASN CB C 47 38.439 38.950 -0.511 1
1 539 . 4 1 1 A 47 47 ASN N N 47 118.023 116.274 1.749 1
1 541 . 4 1 1 A 48 48 ILE H H 48 7.695 7.360 0.335 1
1 542 . 4 1 1 A 48 48 ILE HA H 48 4.075 4.158 -0.083 1
1 552 . 4 1 1 A 48 48 ILE C C 48 175.029 175.584 -0.555 1
1 553 . 4 1 1 A 48 48 ILE CA C 48 59.749 61.855 -2.106 1
1 554 . 4 1 1 A 48 48 ILE CB C 48 35.109 37.155 -2.046 1
1 558 . 4 1 1 A 48 48 ILE N N 48 121.906 119.748 2.158 1
1 559 . 4 1 1 A 49 49 LEU H H 49 8.137 8.472 -0.335 1
1 560 . 4 1 1 A 49 49 LEU HA H 49 4.286 4.322 -0.036 1
1 570 . 4 1 1 A 49 49 LEU C C 49 176.808 177.177 -0.369 1
1 571 . 4 1 1 A 49 49 LEU CA C 49 55.748 56.723 -0.975 1
1 572 . 4 1 1 A 49 49 LEU CB C 49 42.088 43.020 -0.932 1
1 576 . 4 1 1 A 49 49 LEU N N 49 125.062 129.371 -4.309 1
1 577 . 4 1 1 A 50 50 ASP H H 50 7.284 7.847 -0.563 1
1 578 . 4 1 1 A 50 50 ASP HA H 50 5.077 4.809 0.268 1
1 581 . 4 1 1 A 50 50 ASP C C 50 174.968 175.893 -0.925 1
1 582 . 4 1 1 A 50 50 ASP CA C 50 50.443 52.089 -1.646 1
1 583 . 4 1 1 A 50 50 ASP CB C 50 41.822 40.688 1.134 1
1 584 . 4 1 1 A 50 50 ASP N N 50 118.019 118.400 -0.381 1
1 585 . 4 1 1 A 51 51 PRO HA H 51 4.258 4.261 -0.003 1
1 592 . 4 1 1 A 51 51 PRO C C 51 179.037 178.891 0.146 1
1 593 . 4 1 1 A 51 51 PRO CA C 51 64.372 64.925 -0.553 1
1 594 . 4 1 1 A 51 51 PRO CB C 51 32.382 32.060 0.322 1
1 597 . 4 1 1 A 52 52 ARG H H 52 8.253 8.483 -0.230 1
1 598 . 4 1 1 A 52 52 ARG HA H 52 3.995 4.046 -0.051 1
1 605 . 4 1 1 A 52 52 ARG C C 52 179.774 178.721 1.053 1
1 606 . 4 1 1 A 52 52 ARG CA C 52 59.255 59.297 -0.042 1
1 607 . 4 1 1 A 52 52 ARG CB C 52 29.608 30.039 -0.431 1
1 610 . 4 1 1 A 52 52 ARG N N 52 117.657 118.532 -0.875 1
1 611 . 4 1 1 A 53 53 LEU H H 53 7.576 7.965 -0.389 1
1 612 . 4 1 1 A 53 53 LEU HA H 53 4.043 3.924 0.119 1
1 622 . 4 1 1 A 53 53 LEU C C 53 180.197 178.826 1.371 1
1 623 . 4 1 1 A 53 53 LEU CA C 53 57.620 57.872 -0.252 1
1 624 . 4 1 1 A 53 53 LEU CB C 53 42.080 41.996 0.084 1
1 628 . 4 1 1 A 53 53 LEU N N 53 118.887 120.325 -1.438 1
1 629 . 4 1 1 A 54 54 LEU H H 54 7.185 8.100 -0.915 1
1 630 . 4 1 1 A 54 54 LEU HA H 54 3.966 3.616 0.350 1
1 640 . 4 1 1 A 54 54 LEU C C 54 178.631 179.239 -0.608 1
1 641 . 4 1 1 A 54 54 LEU CA C 54 57.549 57.978 -0.429 1
1 642 . 4 1 1 A 54 54 LEU CB C 54 41.646 41.534 0.112 1
1 646 . 4 1 1 A 54 54 LEU N N 54 119.814 117.464 2.350 1
1 647 . 4 1 1 A 55 55 LEU H H 55 7.791 8.445 -0.654 1
1 648 . 4 1 1 A 55 55 LEU HA H 55 4.132 3.852 0.280 1
1 658 . 4 1 1 A 55 55 LEU C C 55 179.501 178.908 0.593 1
1 659 . 4 1 1 A 55 55 LEU CA C 55 58.007 58.198 -0.191 1
1 660 . 4 1 1 A 55 55 LEU CB C 55 41.523 41.707 -0.184 1
1 664 . 4 1 1 A 55 55 LEU N N 55 120.290 118.204 2.086 1
1 665 . 4 1 1 A 56 56 ALA H H 56 7.771 8.199 -0.428 1
1 666 . 4 1 1 A 56 56 ALA HA H 56 4.145 4.100 0.045 1
1 670 . 4 1 1 A 56 56 ALA C C 56 180.157 180.328 -0.171 1
1 671 . 4 1 1 A 56 56 ALA CA C 56 54.963 55.346 -0.383 1
1 672 . 4 1 1 A 56 56 ALA CB C 56 18.232 18.708 -0.476 1
1 673 . 4 1 1 A 56 56 ALA N N 56 119.874 120.369 -0.495 1
1 674 . 4 1 1 A 57 57 PHE H H 57 7.526 7.649 -0.123 1
1 675 . 4 1 1 A 57 57 PHE HA H 57 4.451 4.141 0.310 1
1 683 . 4 1 1 A 57 57 PHE C C 57 176.838 177.501 -0.663 1
1 684 . 4 1 1 A 57 57 PHE CA C 57 60.822 61.306 -0.484 1
1 685 . 4 1 1 A 57 57 PHE CB C 57 39.878 39.111 0.767 1
1 691 . 4 1 1 A 57 57 PHE N N 57 119.210 119.377 -0.167 1
1 692 . 4 1 1 A 58 58 GLN H H 58 8.415 8.626 -0.211 1
1 693 . 4 1 1 A 58 58 GLN HA H 58 3.874 3.966 -0.092 1
1 700 . 4 1 1 A 58 58 GLN C C 58 178.639 178.382 0.257 1
1 701 . 4 1 1 A 58 58 GLN CA C 58 58.499 59.224 -0.725 1
1 702 . 4 1 1 A 58 58 GLN CB C 58 28.325 28.315 0.010 1
1 704 . 4 1 1 A 58 58 GLN N N 58 118.702 117.301 1.401 1
1 706 . 4 1 1 A 59 59 LYS H H 59 7.918 7.969 -0.051 1
1 707 . 4 1 1 A 59 59 LYS HA H 59 4.121 4.020 0.101 1
1 716 . 4 1 1 A 59 59 LYS C C 59 178.269 178.988 -0.719 1
1 717 . 4 1 1 A 59 59 LYS CA C 59 58.921 59.373 -0.452 1
1 718 . 4 1 1 A 59 59 LYS CB C 59 32.437 32.167 0.270 1
1 722 . 4 1 1 A 59 59 LYS N N 59 119.131 120.618 -1.487 1
1 723 . 4 1 1 A 60 60 LYS H H 60 7.595 8.093 -0.498 1
1 724 . 4 1 1 A 60 60 LYS HA H 60 4.133 4.054 0.079 1
1 733 . 4 1 1 A 60 60 LYS C C 60 178.836 179.481 -0.645 1
1 734 . 4 1 1 A 60 60 LYS CA C 60 58.323 59.754 -1.431 1
1 735 . 4 1 1 A 60 60 LYS CB C 60 32.150 32.040 0.110 1
1 739 . 4 1 1 A 60 60 LYS N N 60 120.016 118.733 1.283 1
1 740 . 4 1 1 A 61 61 GLU H H 61 8.095 8.091 0.004 1
1 741 . 4 1 1 A 61 61 GLU HA H 61 3.936 3.811 0.125 1
1 746 . 4 1 1 A 61 61 GLU C C 61 178.233 178.856 -0.623 1
1 747 . 4 1 1 A 61 61 GLU CA C 61 58.605 59.501 -0.896 1
1 748 . 4 1 1 A 61 61 GLU CB C 61 29.806 29.343 0.463 1
1 750 . 4 1 1 A 61 61 GLU N N 61 119.560 119.664 -0.104 1
1 751 . 4 1 1 A 62 62 HIS H H 62 8.037 8.144 -0.107 1
1 752 . 4 1 1 A 62 62 HIS HA H 62 4.517 4.040 0.477 1
1 757 . 4 1 1 A 62 62 HIS C C 62 176.449 176.699 -0.250 1
1 758 . 4 1 1 A 62 62 HIS CA C 62 57.740 59.820 -2.080 1
1 759 . 4 1 1 A 62 62 HIS CB C 62 29.928 29.831 0.097 1
1 762 . 4 1 1 A 62 62 HIS N N 62 118.437 119.604 -1.167 1
1 763 . 4 1 1 A 63 63 GLU H H 63 8.010 8.601 -0.591 1
1 764 . 4 1 1 A 63 63 GLU HA H 63 4.096 3.582 0.514 1
1 769 . 4 1 1 A 63 63 GLU C C 63 177.485 179.116 -1.631 1
1 770 . 4 1 1 A 63 63 GLU CA C 63 57.954 59.632 -1.678 1
1 771 . 4 1 1 A 63 63 GLU CB C 63 29.783 28.977 0.806 1
1 773 . 4 1 1 A 63 63 GLU N N 63 119.622 117.003 2.619 1
1 774 . 4 1 1 A 64 64 LYS H H 64 7.874 7.817 0.057 1
1 775 . 4 1 1 A 64 64 LYS HA H 64 4.213 4.087 0.126 1
1 784 . 4 1 1 A 64 64 LYS C C 64 177.341 177.449 -0.108 1
1 785 . 4 1 1 A 64 64 LYS CA C 64 57.479 59.581 -2.102 1
1 786 . 4 1 1 A 64 64 LYS CB C 64 32.684 32.225 0.459 1
1 790 . 4 1 1 A 64 64 LYS N N 64 119.617 119.812 -0.195 1
1 791 . 4 1 1 A 65 65 GLU H H 65 8.044 8.039 0.005 1
1 792 . 4 1 1 A 65 65 GLU HA H 65 4.236 4.142 0.094 1
1 797 . 4 1 1 A 65 65 GLU C C 65 177.451 176.736 0.715 1
1 798 . 4 1 1 A 65 65 GLU CA C 65 57.426 57.137 0.289 1
1 799 . 4 1 1 A 65 65 GLU CB C 65 29.971 30.515 -0.544 1
1 801 . 4 1 1 A 65 65 GLU N N 65 120.606 118.267 2.339 1
1 802 . 4 1 1 A 66 66 VAL H H 66 8.028 8.863 -0.835 1
1 803 . 4 1 1 A 66 66 VAL HA H 66 4.035 4.174 -0.139 1
1 811 . 4 1 1 A 66 66 VAL C C 66 176.848 174.601 2.247 1
1 812 . 4 1 1 A 66 66 VAL CA C 66 63.160 61.860 1.300 1
1 813 . 4 1 1 A 66 66 VAL CB C 66 32.396 30.058 2.338 1
1 816 . 4 1 1 A 66 66 VAL N N 66 119.834 127.861 -8.027 1
1 817 . 4 1 1 A 67 67 GLN H H 67 8.265 7.337 0.928 1
1 818 . 4 1 1 A 67 67 GLN HA H 67 4.313 4.860 -0.547 1
1 825 . 4 1 1 A 67 67 GLN C C 67 176.073 174.070 2.003 1
1 826 . 4 1 1 A 67 67 GLN CA C 67 56.283 54.802 1.481 1
1 827 . 4 1 1 A 67 67 GLN CB C 67 29.216 32.438 -3.222 1
1 829 . 4 1 1 A 67 67 GLN N N 67 122.698 122.934 -0.236 1
1 831 . 4 1 1 A 68 68 ASN H H 68 8.391 8.921 -0.530 1
1 832 . 4 1 1 A 68 68 ASN HA H 68 4.782 4.994 -0.212 1
1 837 . 4 1 1 A 68 68 ASN C C 68 175.242 176.510 -1.268 1
1 838 . 4 1 1 A 68 68 ASN CA C 68 53.487 52.893 0.594 1
1 839 . 4 1 1 A 68 68 ASN CB C 68 39.138 37.821 1.317 1
1 840 . 4 1 1 A 68 68 ASN N N 68 119.609 124.654 -5.045 1
1 842 . 4 1 1 A 69 69 SER H H 69 8.272 9.119 -0.847 1
1 843 . 4 1 1 A 69 69 SER HA H 69 4.501 4.347 0.154 1
1 846 . 4 1 1 A 69 69 SER C C 69 174.630 175.021 -0.391 1
1 847 . 4 1 1 A 69 69 SER CA C 69 58.587 60.448 -1.861 1
1 848 . 4 1 1 A 69 69 SER CB C 69 64.174 63.785 0.389 1
1 849 . 4 1 1 A 69 69 SER N N 69 116.106 117.356 -1.250 1
1 850 . 4 1 1 A 70 70 GLY H H 70 8.251 7.371 0.880 1
1 851 . 4 1 1 A 70 70 GLY HA2 H 70 4.175 4.021 0.154 1
1 852 . 4 1 1 A 70 70 GLY HA3 H 70 4.144 4.040 0.104 1
1 853 . 4 1 1 A 70 70 GLY C C 70 171.843 172.880 -1.037 1
1 854 . 4 1 1 A 70 70 GLY CA C 70 44.709 46.072 -1.363 1
1 855 . 4 1 1 A 70 70 GLY N N 70 110.658 108.158 2.500 1
1 856 . 4 1 1 A 71 71 PRO HA H 71 4.501 4.554 -0.053 1
1 863 . 4 1 1 A 71 71 PRO C C 71 177.457 175.644 1.813 1
1 864 . 4 1 1 A 71 71 PRO CA C 71 63.300 62.507 0.793 1
1 865 . 4 1 1 A 71 71 PRO CB C 71 32.008 33.286 -1.278 1
1 868 . 4 1 1 A 72 72 SER H H 72 8.536 8.399 0.137 1
1 869 . 4 1 1 A 72 72 SER CA C 72 58.429 57.410 1.019 1
1 1 . 5 1 1 A 6 6 SER HA H 6 4.501 4.190 0.311 1
1 4 . 5 1 1 A 6 6 SER C C 6 175.089 174.213 0.876 1
1 5 . 5 1 1 A 6 6 SER CA C 6 58.675 58.955 -0.280 1
1 6 . 5 1 1 A 6 6 SER CB C 6 63.909 60.959 2.950 1
1 7 . 5 1 1 A 7 7 GLY H H 7 8.374 8.525 -0.151 1
1 8 . 5 1 1 A 7 7 GLY HA2 H 7 3.966 4.026 -0.060 1
1 9 . 5 1 1 A 7 7 GLY HA3 H 7 3.966 4.031 -0.065 1
1 10 . 5 1 1 A 7 7 GLY C C 7 174.147 172.324 1.823 1
1 11 . 5 1 1 A 7 7 GLY CA C 7 45.359 44.817 0.542 1
1 12 . 5 1 1 A 7 7 GLY N N 7 110.638 110.080 0.558 1
1 13 . 5 1 1 A 8 8 GLU H H 8 8.255 8.448 -0.193 1
1 14 . 5 1 1 A 8 8 GLU HA H 8 4.273 5.068 -0.795 1
1 19 . 5 1 1 A 8 8 GLU C C 8 176.471 174.395 2.076 1
1 20 . 5 1 1 A 8 8 GLU CA C 8 56.582 55.313 1.269 1
1 21 . 5 1 1 A 8 8 GLU CB C 8 30.299 32.776 -2.477 1
1 23 . 5 1 1 A 8 8 GLU N N 8 120.542 121.363 -0.821 1
1 24 . 5 1 1 A 9 9 GLN H H 9 8.397 8.688 -0.291 1
1 25 . 5 1 1 A 9 9 GLN HA H 9 4.332 4.893 -0.561 1
1 32 . 5 1 1 A 9 9 GLN C C 9 175.365 175.160 0.205 1
1 33 . 5 1 1 A 9 9 GLN CA C 9 55.668 54.219 1.449 1
1 34 . 5 1 1 A 9 9 GLN CB C 9 29.560 31.721 -2.161 1
1 36 . 5 1 1 A 9 9 GLN N N 9 121.410 124.930 -3.520 1
1 38 . 5 1 1 A 10 10 VAL H H 10 8.104 8.517 -0.413 1
1 39 . 5 1 1 A 10 10 VAL HA H 10 4.054 4.117 -0.063 1
1 47 . 5 1 1 A 10 10 VAL C C 10 175.736 174.970 0.766 1
1 48 . 5 1 1 A 10 10 VAL CA C 10 62.334 63.042 -0.708 1
1 49 . 5 1 1 A 10 10 VAL CB C 10 33.136 32.214 0.922 1
1 52 . 5 1 1 A 10 10 VAL N N 10 121.590 127.453 -5.863 1
1 53 . 5 1 1 A 11 11 PHE H H 11 8.491 8.805 -0.314 1
1 54 . 5 1 1 A 11 11 PHE HA H 11 4.696 5.522 -0.826 1
1 62 . 5 1 1 A 11 11 PHE C C 11 174.477 173.447 1.030 1
1 63 . 5 1 1 A 11 11 PHE CA C 11 57.444 55.083 2.361 1
1 64 . 5 1 1 A 11 11 PHE CB C 11 39.467 41.483 -2.016 1
1 70 . 5 1 1 A 11 11 PHE N N 11 125.302 124.107 1.195 1
1 71 . 5 1 1 A 12 12 ALA H H 12 9.203 8.960 0.243 1
1 72 . 5 1 1 A 12 12 ALA HA H 12 4.866 4.726 0.140 1
1 76 . 5 1 1 A 12 12 ALA C C 12 176.813 176.019 0.794 1
1 77 . 5 1 1 A 12 12 ALA CA C 12 51.252 50.885 0.367 1
1 78 . 5 1 1 A 12 12 ALA CB C 12 20.719 19.844 0.875 1
1 79 . 5 1 1 A 12 12 ALA N N 12 127.219 127.022 0.197 1
1 80 . 5 1 1 A 13 13 ALA H H 13 8.891 8.972 -0.081 1
1 81 . 5 1 1 A 13 13 ALA HA H 13 3.874 4.168 -0.294 1
1 85 . 5 1 1 A 13 13 ALA C C 13 176.194 177.234 -1.040 1
1 86 . 5 1 1 A 13 13 ALA CA C 13 53.380 51.653 1.727 1
1 87 . 5 1 1 A 13 13 ALA CB C 13 19.448 18.331 1.117 1
1 88 . 5 1 1 A 13 13 ALA N N 13 126.618 127.215 -0.597 1
1 89 . 5 1 1 A 14 14 GLU H H 14 9.604 8.706 0.898 1
1 90 . 5 1 1 A 14 14 GLU HA H 14 4.336 4.085 0.251 1
1 95 . 5 1 1 A 14 14 GLU C C 14 176.093 175.961 0.132 1
1 96 . 5 1 1 A 14 14 GLU CA C 14 57.356 59.311 -1.955 1
1 97 . 5 1 1 A 14 14 GLU CB C 14 32.273 30.555 1.718 1
1 99 . 5 1 1 A 14 14 GLU N N 14 123.285 124.824 -1.539 1
1 100 . 5 1 1 A 15 15 CYS H H 15 7.655 7.462 0.193 1
1 101 . 5 1 1 A 15 15 CYS HA H 15 4.527 4.556 -0.029 1
1 104 . 5 1 1 A 15 15 CYS C C 15 171.003 172.632 -1.629 1
1 105 . 5 1 1 A 15 15 CYS CA C 15 56.674 58.215 -1.541 1
1 106 . 5 1 1 A 15 15 CYS CB C 15 29.765 30.732 -0.967 1
1 107 . 5 1 1 A 15 15 CYS N N 15 110.806 116.322 -5.516 1
1 108 . 5 1 1 A 16 16 ILE H H 16 8.316 8.659 -0.343 1
1 109 . 5 1 1 A 16 16 ILE HA H 16 4.344 3.881 0.463 1
1 119 . 5 1 1 A 16 16 ILE C C 16 175.432 175.544 -0.112 1
1 120 . 5 1 1 A 16 16 ILE CA C 16 60.047 61.599 -1.552 1
1 121 . 5 1 1 A 16 16 ILE CB C 16 39.308 37.540 1.768 1
1 125 . 5 1 1 A 16 16 ILE N N 16 121.665 124.404 -2.739 1
1 126 . 5 1 1 A 17 17 LEU H H 17 9.207 9.185 0.022 1
1 127 . 5 1 1 A 17 17 LEU HA H 17 4.425 4.412 0.013 1
1 137 . 5 1 1 A 17 17 LEU C C 17 177.573 176.341 1.232 1
1 138 . 5 1 1 A 17 17 LEU CA C 17 55.825 55.799 0.026 1
1 139 . 5 1 1 A 17 17 LEU CB C 17 44.400 42.513 1.887 1
1 143 . 5 1 1 A 17 17 LEU N N 17 124.728 129.481 -4.753 1
1 144 . 5 1 1 A 18 18 SER H H 18 7.082 7.246 -0.164 1
1 145 . 5 1 1 A 18 18 SER HA H 18 4.778 4.893 -0.115 1
1 148 . 5 1 1 A 18 18 SER C C 18 171.685 172.343 -0.658 1
1 149 . 5 1 1 A 18 18 SER CA C 18 57.075 56.800 0.275 1
1 150 . 5 1 1 A 18 18 SER CB C 18 64.550 64.666 -0.116 1
1 151 . 5 1 1 A 18 18 SER N N 18 110.441 109.316 1.125 1
1 152 . 5 1 1 A 19 19 LYS H H 19 8.745 9.162 -0.417 1
1 153 . 5 1 1 A 19 19 LYS HA H 19 5.836 5.672 0.164 1
1 162 . 5 1 1 A 19 19 LYS C C 19 174.068 174.712 -0.644 1
1 163 . 5 1 1 A 19 19 LYS CA C 19 54.770 54.538 0.232 1
1 164 . 5 1 1 A 19 19 LYS CB C 19 37.493 37.452 0.041 1
1 168 . 5 1 1 A 19 19 LYS N N 19 120.354 119.349 1.005 1
1 169 . 5 1 1 A 20 20 ARG H H 20 9.264 8.587 0.677 1
1 170 . 5 1 1 A 20 20 ARG HA H 20 4.703 5.093 -0.390 1
1 178 . 5 1 1 A 20 20 ARG C C 20 171.618 173.602 -1.984 1
1 179 . 5 1 1 A 20 20 ARG CA C 20 54.471 55.040 -0.569 1
1 180 . 5 1 1 A 20 20 ARG CB C 20 32.578 33.791 -1.213 1
1 183 . 5 1 1 A 20 20 ARG N N 20 119.809 118.679 1.130 1
1 185 . 5 1 1 A 21 21 LEU H H 21 8.286 8.631 -0.345 1
1 186 . 5 1 1 A 21 21 LEU HA H 21 4.927 5.290 -0.363 1
1 196 . 5 1 1 A 21 21 LEU C C 21 176.880 175.853 1.027 1
1 197 . 5 1 1 A 21 21 LEU CA C 21 53.433 53.791 -0.358 1
1 198 . 5 1 1 A 21 21 LEU CB C 21 43.905 45.403 -1.498 1
1 202 . 5 1 1 A 21 21 LEU N N 21 121.552 122.020 -0.468 1
1 203 . 5 1 1 A 22 22 ARG H H 22 9.146 8.594 0.552 1
1 204 . 5 1 1 A 22 22 ARG HA H 22 4.434 4.424 0.010 1
1 211 . 5 1 1 A 22 22 ARG C C 22 175.379 175.299 0.080 1
1 212 . 5 1 1 A 22 22 ARG CA C 22 55.468 57.285 -1.817 1
1 213 . 5 1 1 A 22 22 ARG CB C 22 33.049 32.696 0.353 1
1 216 . 5 1 1 A 22 22 ARG N N 22 126.472 126.538 -0.066 1
1 217 . 5 1 1 A 23 23 LYS H H 23 9.505 8.040 1.465 1
1 218 . 5 1 1 A 23 23 LYS HA H 23 3.839 4.434 -0.595 1
1 227 . 5 1 1 A 23 23 LYS C C 23 176.521 175.973 0.548 1
1 228 . 5 1 1 A 23 23 LYS CA C 23 57.127 54.684 2.443 1
1 229 . 5 1 1 A 23 23 LYS CB C 23 29.988 33.374 -3.386 1
1 233 . 5 1 1 A 24 24 GLY H H 24 8.438 8.609 -0.171 1
1 234 . 5 1 1 A 24 24 GLY HA2 H 24 4.124 3.894 0.230 1
1 235 . 5 1 1 A 24 24 GLY HA3 H 24 3.517 3.896 -0.379 1
1 236 . 5 1 1 A 24 24 GLY C C 24 173.338 173.460 -0.122 1
1 237 . 5 1 1 A 24 24 GLY CA C 24 45.481 46.568 -1.087 1
1 238 . 5 1 1 A 24 24 GLY N N 24 103.048 114.145 -11.097 1
1 239 . 5 1 1 A 25 25 LYS H H 25 7.785 7.488 0.297 1
1 240 . 5 1 1 A 25 25 LYS HA H 25 4.635 4.906 -0.271 1
1 249 . 5 1 1 A 25 25 LYS C C 25 174.733 174.496 0.237 1
1 250 . 5 1 1 A 25 25 LYS CA C 25 54.365 54.418 -0.053 1
1 251 . 5 1 1 A 25 25 LYS CB C 25 34.616 35.635 -1.019 1
1 255 . 5 1 1 A 25 25 LYS N N 25 121.463 115.301 6.162 1
1 256 . 5 1 1 A 26 26 LEU H H 26 8.555 8.883 -0.328 1
1 257 . 5 1 1 A 26 26 LEU HA H 26 4.763 4.952 -0.189 1
1 267 . 5 1 1 A 26 26 LEU C C 26 176.596 174.811 1.785 1
1 268 . 5 1 1 A 26 26 LEU CA C 26 54.999 53.543 1.456 1
1 269 . 5 1 1 A 26 26 LEU CB C 26 43.167 44.261 -1.094 1
1 273 . 5 1 1 A 26 26 LEU N N 26 124.731 125.012 -0.281 1
1 274 . 5 1 1 A 27 27 GLU H H 27 8.944 8.963 -0.019 1
1 275 . 5 1 1 A 27 27 GLU HA H 27 4.923 5.239 -0.316 1
1 280 . 5 1 1 A 27 27 GLU C C 27 174.422 175.047 -0.625 1
1 281 . 5 1 1 A 27 27 GLU CA C 27 53.874 54.731 -0.857 1
1 282 . 5 1 1 A 27 27 GLU CB C 27 35.191 33.033 2.158 1
1 284 . 5 1 1 A 27 27 GLU N N 27 122.189 126.448 -4.259 1
1 285 . 5 1 1 A 28 28 TYR H H 28 9.423 9.376 0.047 1
1 286 . 5 1 1 A 28 28 TYR HA H 28 5.265 5.129 0.136 1
1 293 . 5 1 1 A 28 28 TYR C C 28 174.020 174.633 -0.613 1
1 294 . 5 1 1 A 28 28 TYR CA C 28 56.511 56.686 -0.175 1
1 295 . 5 1 1 A 28 28 TYR CB C 28 41.646 40.589 1.057 1
1 300 . 5 1 1 A 28 28 TYR N N 28 118.361 122.004 -3.643 1
1 301 . 5 1 1 A 29 29 LEU H H 29 7.779 8.299 -0.520 1
1 302 . 5 1 1 A 29 29 LEU HA H 29 3.634 3.401 0.233 1
1 312 . 5 1 1 A 29 29 LEU C C 29 173.992 174.540 -0.548 1
1 313 . 5 1 1 A 29 29 LEU CA C 29 53.680 54.465 -0.785 1
1 314 . 5 1 1 A 29 29 LEU CB C 29 40.115 40.914 -0.799 1
1 318 . 5 1 1 A 29 29 LEU N N 29 127.541 126.447 1.094 1
1 319 . 5 1 1 A 30 30 VAL H H 30 8.936 8.082 0.854 1
1 320 . 5 1 1 A 30 30 VAL HA H 30 3.915 3.863 0.052 1
1 328 . 5 1 1 A 30 30 VAL C C 30 173.840 174.431 -0.591 1
1 329 . 5 1 1 A 30 30 VAL CA C 30 62.106 61.932 0.174 1
1 330 . 5 1 1 A 30 30 VAL CB C 30 34.458 32.110 2.348 1
1 333 . 5 1 1 A 30 30 VAL N N 30 130.095 127.578 2.517 1
1 334 . 5 1 1 A 31 31 LYS H H 31 7.596 8.020 -0.424 1
1 335 . 5 1 1 A 31 31 LYS HA H 31 4.525 4.488 0.037 1
1 344 . 5 1 1 A 31 31 LYS C C 31 175.379 174.827 0.552 1
1 345 . 5 1 1 A 31 31 LYS CA C 31 53.574 54.534 -0.960 1
1 346 . 5 1 1 A 31 31 LYS CB C 31 34.848 33.864 0.984 1
1 350 . 5 1 1 A 31 31 LYS N N 31 123.992 127.249 -3.257 1
1 351 . 5 1 1 A 32 32 TRP H H 32 9.368 8.546 0.822 1
1 352 . 5 1 1 A 32 32 TRP HA H 32 4.816 5.116 -0.300 1
1 361 . 5 1 1 A 32 32 TRP C C 32 176.830 176.212 0.618 1
1 362 . 5 1 1 A 32 32 TRP CA C 32 56.002 56.564 -0.562 1
1 363 . 5 1 1 A 32 32 TRP CB C 32 31.163 30.011 1.152 1
1 369 . 5 1 1 A 32 32 TRP N N 32 131.754 128.649 3.105 1
1 371 . 5 1 1 A 33 33 ARG H H 33 9.455 8.850 0.605 1
1 372 . 5 1 1 A 33 33 ARG HA H 33 4.345 3.893 0.452 1
1 379 . 5 1 1 A 33 33 ARG C C 33 178.092 177.386 0.706 1
1 380 . 5 1 1 A 33 33 ARG CA C 33 57.590 58.287 -0.697 1
1 381 . 5 1 1 A 33 33 ARG CB C 33 30.400 30.286 0.114 1
1 384 . 5 1 1 A 33 33 ARG N N 33 124.374 124.672 -0.298 1
1 385 . 5 1 1 A 34 34 GLY H H 34 9.319 8.898 0.421 1
1 386 . 5 1 1 A 34 34 GLY HA2 H 34 3.642 3.668 -0.026 1
1 387 . 5 1 1 A 34 34 GLY HA3 H 34 3.976 3.831 0.145 1
1 388 . 5 1 1 A 34 34 GLY CA C 34 45.636 45.472 0.164 1
1 389 . 5 1 1 A 34 34 GLY N N 34 114.254 111.066 3.188 1
1 390 . 5 1 1 A 35 35 TRP H H 35 7.725 7.614 0.111 1
1 391 . 5 1 1 A 35 35 TRP HA H 35 4.785 4.503 0.282 1
1 400 . 5 1 1 A 35 35 TRP CA C 35 55.641 58.187 -2.546 1
1 401 . 5 1 1 A 35 35 TRP CB C 35 31.352 29.529 1.823 1
1 407 . 5 1 1 A 35 35 TRP N N 35 120.008 121.783 -1.775 1
1 409 . 5 1 1 A 36 36 SER H H 36 8.785 8.811 -0.026 1
1 410 . 5 1 1 A 36 36 SER HA H 36 4.587 4.658 -0.071 1
1 413 . 5 1 1 A 36 36 SER CA C 36 58.364 58.648 -0.284 1
1 414 . 5 1 1 A 36 36 SER CB C 36 64.741 64.092 0.649 1
1 415 . 5 1 1 A 36 36 SER N N 36 117.243 118.218 -0.975 1
1 416 . 5 1 1 A 37 37 SER HA H 37 4.491 4.494 -0.003 1
1 419 . 5 1 1 A 37 37 SER CA C 37 60.248 59.164 1.084 1
1 420 . 5 1 1 A 37 37 SER CB C 37 63.340 62.833 0.507 1
1 421 . 5 1 1 A 38 38 LYS HA H 38 4.155 4.410 -0.255 1
1 430 . 5 1 1 A 38 38 LYS CA C 38 58.001 57.006 0.995 1
1 431 . 5 1 1 A 38 38 LYS CB C 38 32.378 34.523 -2.145 1
1 435 . 5 1 1 A 39 39 HIS H H 39 8.245 8.105 0.140 1
1 436 . 5 1 1 A 39 39 HIS HA H 39 4.460 4.318 0.142 1
1 441 . 5 1 1 A 39 39 HIS CA C 39 56.031 59.776 -3.745 1
1 442 . 5 1 1 A 39 39 HIS CB C 39 30.068 30.436 -0.368 1
1 445 . 5 1 1 A 39 39 HIS N N 39 117.908 115.882 2.026 1
1 446 . 5 1 1 A 40 40 ASN H H 40 7.746 7.885 -0.139 1
1 447 . 5 1 1 A 40 40 ASN HA H 40 5.176 4.695 0.481 1
1 452 . 5 1 1 A 40 40 ASN C C 40 176.114 174.792 1.322 1
1 453 . 5 1 1 A 40 40 ASN CA C 40 54.102 53.914 0.188 1
1 454 . 5 1 1 A 40 40 ASN CB C 40 37.123 38.762 -1.639 1
1 455 . 5 1 1 A 40 40 ASN N N 40 121.018 117.758 3.260 1
1 457 . 5 1 1 A 41 41 SER H H 41 8.492 8.270 0.222 1
1 458 . 5 1 1 A 41 41 SER HA H 41 4.866 5.247 -0.381 1
1 461 . 5 1 1 A 41 41 SER C C 41 172.479 172.745 -0.266 1
1 462 . 5 1 1 A 41 41 SER CA C 41 57.145 55.683 1.462 1
1 463 . 5 1 1 A 41 41 SER CB C 41 66.057 66.338 -0.281 1
1 464 . 5 1 1 A 41 41 SER N N 41 115.675 116.488 -0.813 1
1 465 . 5 1 1 A 42 42 TRP H H 42 8.604 8.763 -0.159 1
1 466 . 5 1 1 A 42 42 TRP HA H 42 4.980 5.406 -0.426 1
1 475 . 5 1 1 A 42 42 TRP C C 42 177.025 175.500 1.525 1
1 476 . 5 1 1 A 42 42 TRP CA C 42 56.477 55.483 0.994 1
1 477 . 5 1 1 A 42 42 TRP CB C 42 29.625 31.567 -1.942 1
1 483 . 5 1 1 A 42 42 TRP N N 42 123.109 122.626 0.483 1
1 485 . 5 1 1 A 43 43 GLU H H 43 9.916 8.551 1.365 1
1 486 . 5 1 1 A 43 43 GLU HA H 43 5.225 4.863 0.362 1
1 491 . 5 1 1 A 43 43 GLU C C 43 174.192 174.072 0.120 1
1 492 . 5 1 1 A 43 43 GLU CA C 43 52.230 53.082 -0.852 1
1 493 . 5 1 1 A 43 43 GLU CB C 43 32.537 31.086 1.451 1
1 495 . 5 1 1 A 43 43 GLU N N 43 125.182 124.342 0.840 1
1 496 . 5 1 1 A 44 44 PRO HA H 44 4.934 4.890 0.044 1
1 503 . 5 1 1 A 44 44 PRO C C 44 177.782 177.852 -0.070 1
1 504 . 5 1 1 A 44 44 PRO CA C 44 62.525 62.639 -0.114 1
1 505 . 5 1 1 A 44 44 PRO CB C 44 32.730 32.783 -0.053 1
1 508 . 5 1 1 A 45 45 GLU H H 45 8.637 9.410 -0.773 1
1 509 . 5 1 1 A 45 45 GLU HA H 45 3.965 4.128 -0.163 1
1 514 . 5 1 1 A 45 45 GLU C C 45 177.990 178.634 -0.644 1
1 515 . 5 1 1 A 45 45 GLU CA C 45 60.293 59.689 0.604 1
1 516 . 5 1 1 A 45 45 GLU CB C 45 30.235 29.766 0.469 1
1 518 . 5 1 1 A 45 45 GLU N N 45 120.441 123.698 -3.257 1
1 519 . 5 1 1 A 46 46 GLU H H 46 9.698 8.693 1.005 1
1 520 . 5 1 1 A 46 46 GLU HA H 46 4.243 4.105 0.138 1
1 525 . 5 1 1 A 46 46 GLU C C 46 176.547 178.129 -1.582 1
1 526 . 5 1 1 A 46 46 GLU CA C 46 58.693 58.941 -0.248 1
1 527 . 5 1 1 A 46 46 GLU CB C 46 28.448 28.489 -0.041 1
1 529 . 5 1 1 A 46 46 GLU N N 46 117.193 117.264 -0.071 1
1 530 . 5 1 1 A 47 47 ASN H H 47 8.119 8.292 -0.173 1
1 531 . 5 1 1 A 47 47 ASN HA H 47 4.922 4.731 0.191 1
1 536 . 5 1 1 A 47 47 ASN C C 47 175.293 176.113 -0.820 1
1 537 . 5 1 1 A 47 47 ASN CA C 47 52.430 54.908 -2.478 1
1 538 . 5 1 1 A 47 47 ASN CB C 47 38.439 38.927 -0.488 1
1 539 . 5 1 1 A 47 47 ASN N N 47 118.023 116.389 1.634 1
1 541 . 5 1 1 A 48 48 ILE H H 48 7.695 7.592 0.103 1
1 542 . 5 1 1 A 48 48 ILE HA H 48 4.075 4.236 -0.161 1
1 552 . 5 1 1 A 48 48 ILE C C 48 175.029 175.656 -0.627 1
1 553 . 5 1 1 A 48 48 ILE CA C 48 59.749 61.822 -2.073 1
1 554 . 5 1 1 A 48 48 ILE CB C 48 35.109 37.138 -2.029 1
1 558 . 5 1 1 A 48 48 ILE N N 48 121.906 119.888 2.018 1
1 559 . 5 1 1 A 49 49 LEU H H 49 8.137 8.659 -0.522 1
1 560 . 5 1 1 A 49 49 LEU HA H 49 4.286 4.386 -0.100 1
1 570 . 5 1 1 A 49 49 LEU C C 49 176.808 176.930 -0.122 1
1 571 . 5 1 1 A 49 49 LEU CA C 49 55.748 56.566 -0.818 1
1 572 . 5 1 1 A 49 49 LEU CB C 49 42.088 42.972 -0.884 1
1 576 . 5 1 1 A 49 49 LEU N N 49 125.062 129.481 -4.419 1
1 577 . 5 1 1 A 50 50 ASP H H 50 7.284 7.815 -0.531 1
1 578 . 5 1 1 A 50 50 ASP HA H 50 5.077 4.817 0.260 1
1 581 . 5 1 1 A 50 50 ASP C C 50 174.968 176.033 -1.065 1
1 582 . 5 1 1 A 50 50 ASP CA C 50 50.443 52.017 -1.574 1
1 583 . 5 1 1 A 50 50 ASP CB C 50 41.822 40.846 0.976 1
1 584 . 5 1 1 A 50 50 ASP N N 50 118.019 118.390 -0.371 1
1 585 . 5 1 1 A 51 51 PRO HA H 51 4.258 4.277 -0.019 1
1 592 . 5 1 1 A 51 51 PRO C C 51 179.037 178.900 0.137 1
1 593 . 5 1 1 A 51 51 PRO CA C 51 64.372 64.933 -0.561 1
1 594 . 5 1 1 A 51 51 PRO CB C 51 32.382 32.071 0.311 1
1 597 . 5 1 1 A 52 52 ARG H H 52 8.253 8.375 -0.122 1
1 598 . 5 1 1 A 52 52 ARG HA H 52 3.995 4.049 -0.054 1
1 605 . 5 1 1 A 52 52 ARG C C 52 179.774 178.773 1.001 1
1 606 . 5 1 1 A 52 52 ARG CA C 52 59.255 59.294 -0.039 1
1 607 . 5 1 1 A 52 52 ARG CB C 52 29.608 30.039 -0.431 1
1 610 . 5 1 1 A 52 52 ARG N N 52 117.657 118.473 -0.816 1
1 611 . 5 1 1 A 53 53 LEU H H 53 7.576 7.944 -0.368 1
1 612 . 5 1 1 A 53 53 LEU HA H 53 4.043 3.945 0.098 1
1 622 . 5 1 1 A 53 53 LEU C C 53 180.197 179.099 1.098 1
1 623 . 5 1 1 A 53 53 LEU CA C 53 57.620 57.678 -0.058 1
1 624 . 5 1 1 A 53 53 LEU CB C 53 42.080 41.794 0.286 1
1 628 . 5 1 1 A 53 53 LEU N N 53 118.887 120.321 -1.434 1
1 629 . 5 1 1 A 54 54 LEU H H 54 7.185 8.116 -0.931 1
1 630 . 5 1 1 A 54 54 LEU HA H 54 3.966 3.700 0.266 1
1 640 . 5 1 1 A 54 54 LEU C C 54 178.631 179.318 -0.687 1
1 641 . 5 1 1 A 54 54 LEU CA C 54 57.549 58.009 -0.460 1
1 642 . 5 1 1 A 54 54 LEU CB C 54 41.646 41.799 -0.153 1
1 646 . 5 1 1 A 54 54 LEU N N 54 119.814 117.613 2.201 1
1 647 . 5 1 1 A 55 55 LEU H H 55 7.791 8.431 -0.640 1
1 648 . 5 1 1 A 55 55 LEU HA H 55 4.132 3.841 0.291 1
1 658 . 5 1 1 A 55 55 LEU C C 55 179.501 178.650 0.851 1
1 659 . 5 1 1 A 55 55 LEU CA C 55 58.007 58.186 -0.179 1
1 660 . 5 1 1 A 55 55 LEU CB C 55 41.523 41.587 -0.064 1
1 664 . 5 1 1 A 55 55 LEU N N 55 120.290 118.315 1.975 1
1 665 . 5 1 1 A 56 56 ALA H H 56 7.771 8.340 -0.569 1
1 666 . 5 1 1 A 56 56 ALA HA H 56 4.145 4.078 0.067 1
1 670 . 5 1 1 A 56 56 ALA C C 56 180.157 180.290 -0.133 1
1 671 . 5 1 1 A 56 56 ALA CA C 56 54.963 55.203 -0.240 1
1 672 . 5 1 1 A 56 56 ALA CB C 56 18.232 18.594 -0.362 1
1 673 . 5 1 1 A 56 56 ALA N N 56 119.874 120.110 -0.236 1
1 674 . 5 1 1 A 57 57 PHE H H 57 7.526 7.507 0.019 1
1 675 . 5 1 1 A 57 57 PHE HA H 57 4.451 4.112 0.339 1
1 683 . 5 1 1 A 57 57 PHE C C 57 176.838 177.370 -0.532 1
1 684 . 5 1 1 A 57 57 PHE CA C 57 60.822 61.384 -0.562 1
1 685 . 5 1 1 A 57 57 PHE CB C 57 39.878 39.210 0.668 1
1 691 . 5 1 1 A 57 57 PHE N N 57 119.210 119.287 -0.077 1
1 692 . 5 1 1 A 58 58 GLN H H 58 8.415 8.629 -0.214 1
1 693 . 5 1 1 A 58 58 GLN HA H 58 3.874 3.907 -0.033 1
1 700 . 5 1 1 A 58 58 GLN C C 58 178.639 178.860 -0.221 1
1 701 . 5 1 1 A 58 58 GLN CA C 58 58.499 59.356 -0.857 1
1 702 . 5 1 1 A 58 58 GLN CB C 58 28.325 28.339 -0.014 1
1 704 . 5 1 1 A 58 58 GLN N N 58 118.702 117.840 0.862 1
1 706 . 5 1 1 A 59 59 LYS H H 59 7.918 7.840 0.078 1
1 707 . 5 1 1 A 59 59 LYS HA H 59 4.121 4.070 0.051 1
1 716 . 5 1 1 A 59 59 LYS C C 59 178.269 179.561 -1.292 1
1 717 . 5 1 1 A 59 59 LYS CA C 59 58.921 59.494 -0.573 1
1 718 . 5 1 1 A 59 59 LYS CB C 59 32.437 31.974 0.463 1
1 722 . 5 1 1 A 59 59 LYS N N 59 119.131 119.790 -0.659 1
1 723 . 5 1 1 A 60 60 LYS H H 60 7.595 7.601 -0.006 1
1 724 . 5 1 1 A 60 60 LYS HA H 60 4.133 4.027 0.106 1
1 733 . 5 1 1 A 60 60 LYS C C 60 178.836 179.545 -0.709 1
1 734 . 5 1 1 A 60 60 LYS CA C 60 58.323 59.825 -1.502 1
1 735 . 5 1 1 A 60 60 LYS CB C 60 32.150 32.290 -0.140 1
1 739 . 5 1 1 A 60 60 LYS N N 60 120.016 119.895 0.121 1
1 740 . 5 1 1 A 61 61 GLU H H 61 8.095 8.260 -0.165 1
1 741 . 5 1 1 A 61 61 GLU HA H 61 3.936 3.759 0.177 1
1 746 . 5 1 1 A 61 61 GLU C C 61 178.233 178.843 -0.610 1
1 747 . 5 1 1 A 61 61 GLU CA C 61 58.605 59.486 -0.881 1
1 748 . 5 1 1 A 61 61 GLU CB C 61 29.806 29.207 0.599 1
1 750 . 5 1 1 A 61 61 GLU N N 61 119.560 119.605 -0.045 1
1 751 . 5 1 1 A 62 62 HIS H H 62 8.037 7.635 0.402 1
1 752 . 5 1 1 A 62 62 HIS HA H 62 4.517 4.036 0.481 1
1 757 . 5 1 1 A 62 62 HIS C C 62 176.449 176.669 -0.220 1
1 758 . 5 1 1 A 62 62 HIS CA C 62 57.740 59.850 -2.110 1
1 759 . 5 1 1 A 62 62 HIS CB C 62 29.928 29.761 0.167 1
1 762 . 5 1 1 A 62 62 HIS N N 62 118.437 119.583 -1.146 1
1 763 . 5 1 1 A 63 63 GLU H H 63 8.010 8.623 -0.613 1
1 764 . 5 1 1 A 63 63 GLU HA H 63 4.096 3.834 0.262 1
1 769 . 5 1 1 A 63 63 GLU C C 63 177.485 179.072 -1.587 1
1 770 . 5 1 1 A 63 63 GLU CA C 63 57.954 59.717 -1.763 1
1 771 . 5 1 1 A 63 63 GLU CB C 63 29.783 29.417 0.366 1
1 773 . 5 1 1 A 63 63 GLU N N 63 119.622 117.061 2.561 1
1 774 . 5 1 1 A 64 64 LYS H H 64 7.874 7.645 0.229 1
1 775 . 5 1 1 A 64 64 LYS HA H 64 4.213 4.190 0.023 1
1 784 . 5 1 1 A 64 64 LYS C C 64 177.341 176.981 0.360 1
1 785 . 5 1 1 A 64 64 LYS CA C 64 57.479 58.845 -1.366 1
1 786 . 5 1 1 A 64 64 LYS CB C 64 32.684 32.780 -0.096 1
1 790 . 5 1 1 A 64 64 LYS N N 64 119.617 118.886 0.731 1
1 791 . 5 1 1 A 65 65 GLU H H 65 8.044 8.068 -0.024 1
1 792 . 5 1 1 A 65 65 GLU HA H 65 4.236 4.281 -0.045 1
1 797 . 5 1 1 A 65 65 GLU C C 65 177.451 175.752 1.699 1
1 798 . 5 1 1 A 65 65 GLU CA C 65 57.426 56.022 1.404 1
1 799 . 5 1 1 A 65 65 GLU CB C 65 29.971 30.488 -0.517 1
1 801 . 5 1 1 A 65 65 GLU N N 65 120.606 118.484 2.122 1
1 802 . 5 1 1 A 66 66 VAL H H 66 8.028 8.396 -0.368 1
1 803 . 5 1 1 A 66 66 VAL HA H 66 4.035 4.437 -0.402 1
1 811 . 5 1 1 A 66 66 VAL C C 66 176.848 175.376 1.472 1
1 812 . 5 1 1 A 66 66 VAL CA C 66 63.160 60.746 2.414 1
1 813 . 5 1 1 A 66 66 VAL CB C 66 32.396 35.203 -2.807 1
1 816 . 5 1 1 A 66 66 VAL N N 66 119.834 123.774 -3.940 1
1 817 . 5 1 1 A 67 67 GLN H H 67 8.265 8.570 -0.305 1
1 818 . 5 1 1 A 67 67 GLN HA H 67 4.313 4.283 0.030 1
1 825 . 5 1 1 A 67 67 GLN C C 67 176.073 175.647 0.426 1
1 826 . 5 1 1 A 67 67 GLN CA C 67 56.283 55.626 0.657 1
1 827 . 5 1 1 A 67 67 GLN CB C 67 29.216 29.426 -0.210 1
1 829 . 5 1 1 A 67 67 GLN N N 67 122.698 126.828 -4.130 1
1 831 . 5 1 1 A 68 68 ASN H H 68 8.391 8.665 -0.274 1
1 832 . 5 1 1 A 68 68 ASN HA H 68 4.782 4.822 -0.040 1
1 837 . 5 1 1 A 68 68 ASN C C 68 175.242 174.668 0.574 1
1 838 . 5 1 1 A 68 68 ASN CA C 68 53.487 53.153 0.334 1
1 839 . 5 1 1 A 68 68 ASN CB C 68 39.138 39.064 0.074 1
1 840 . 5 1 1 A 68 68 ASN N N 68 119.609 119.681 -0.072 1
1 842 . 5 1 1 A 69 69 SER H H 69 8.272 8.554 -0.282 1
1 843 . 5 1 1 A 69 69 SER HA H 69 4.501 4.674 -0.173 1
1 846 . 5 1 1 A 69 69 SER C C 69 174.630 174.358 0.272 1
1 847 . 5 1 1 A 69 69 SER CA C 69 58.587 58.815 -0.228 1
1 848 . 5 1 1 A 69 69 SER CB C 69 64.174 62.567 1.607 1
1 849 . 5 1 1 A 69 69 SER N N 69 116.106 118.119 -2.013 1
1 850 . 5 1 1 A 70 70 GLY H H 70 8.251 7.815 0.436 1
1 851 . 5 1 1 A 70 70 GLY HA2 H 70 4.175 4.190 -0.015 1
1 852 . 5 1 1 A 70 70 GLY HA3 H 70 4.144 4.191 -0.047 1
1 853 . 5 1 1 A 70 70 GLY C C 70 171.843 173.128 -1.285 1
1 854 . 5 1 1 A 70 70 GLY CA C 70 44.709 45.750 -1.041 1
1 855 . 5 1 1 A 70 70 GLY N N 70 110.658 111.896 -1.238 1
1 856 . 5 1 1 A 71 71 PRO HA H 71 4.501 4.647 -0.146 1
1 863 . 5 1 1 A 71 71 PRO C C 71 177.457 175.592 1.865 1
1 864 . 5 1 1 A 71 71 PRO CA C 71 63.300 62.763 0.537 1
1 865 . 5 1 1 A 71 71 PRO CB C 71 32.008 30.631 1.377 1
1 868 . 5 1 1 A 72 72 SER H H 72 8.536 8.026 0.510 1
1 869 . 5 1 1 A 72 72 SER CA C 72 58.429 57.584 0.845 1
1 1 . 6 1 1 A 6 6 SER HA H 6 4.501 4.293 0.208 1
1 4 . 6 1 1 A 6 6 SER C C 6 175.089 174.403 0.686 1
1 5 . 6 1 1 A 6 6 SER CA C 6 58.675 60.854 -2.179 1
1 6 . 6 1 1 A 6 6 SER CB C 6 63.909 63.903 0.006 1
1 7 . 6 1 1 A 7 7 GLY H H 7 8.374 7.399 0.975 1
1 8 . 6 1 1 A 7 7 GLY HA2 H 7 3.966 3.964 0.002 1
1 9 . 6 1 1 A 7 7 GLY HA3 H 7 3.966 3.970 -0.004 1
1 10 . 6 1 1 A 7 7 GLY C C 7 174.147 173.818 0.329 1
1 11 . 6 1 1 A 7 7 GLY CA C 7 45.359 45.826 -0.467 1
1 12 . 6 1 1 A 7 7 GLY N N 7 110.638 105.872 4.766 1
1 13 . 6 1 1 A 8 8 GLU H H 8 8.255 8.963 -0.708 1
1 14 . 6 1 1 A 8 8 GLU HA H 8 4.273 4.420 -0.147 1
1 19 . 6 1 1 A 8 8 GLU C C 8 176.471 175.850 0.621 1
1 20 . 6 1 1 A 8 8 GLU CA C 8 56.582 57.859 -1.277 1
1 21 . 6 1 1 A 8 8 GLU CB C 8 30.299 31.114 -0.815 1
1 23 . 6 1 1 A 8 8 GLU N N 8 120.542 120.957 -0.415 1
1 24 . 6 1 1 A 9 9 GLN H H 9 8.397 7.684 0.713 1
1 25 . 6 1 1 A 9 9 GLN HA H 9 4.332 4.632 -0.300 1
1 32 . 6 1 1 A 9 9 GLN C C 9 175.365 174.360 1.005 1
1 33 . 6 1 1 A 9 9 GLN CA C 9 55.668 55.552 0.116 1
1 34 . 6 1 1 A 9 9 GLN CB C 9 29.560 31.108 -1.548 1
1 36 . 6 1 1 A 9 9 GLN N N 9 121.410 118.067 3.343 1
1 38 . 6 1 1 A 10 10 VAL H H 10 8.104 8.501 -0.397 1
1 39 . 6 1 1 A 10 10 VAL HA H 10 4.054 3.784 0.270 1
1 47 . 6 1 1 A 10 10 VAL C C 10 175.736 176.187 -0.451 1
1 48 . 6 1 1 A 10 10 VAL CA C 10 62.334 62.553 -0.219 1
1 49 . 6 1 1 A 10 10 VAL CB C 10 33.136 32.623 0.513 1
1 52 . 6 1 1 A 10 10 VAL N N 10 121.590 127.192 -5.602 1
1 53 . 6 1 1 A 11 11 PHE H H 11 8.491 7.956 0.535 1
1 54 . 6 1 1 A 11 11 PHE HA H 11 4.696 4.596 0.100 1
1 62 . 6 1 1 A 11 11 PHE C C 11 174.477 176.121 -1.644 1
1 63 . 6 1 1 A 11 11 PHE CA C 11 57.444 58.695 -1.251 1
1 64 . 6 1 1 A 11 11 PHE CB C 11 39.467 39.621 -0.154 1
1 70 . 6 1 1 A 11 11 PHE N N 11 125.302 127.587 -2.285 1
1 71 . 6 1 1 A 12 12 ALA H H 12 9.203 9.248 -0.045 1
1 72 . 6 1 1 A 12 12 ALA HA H 12 4.866 5.165 -0.299 1
1 76 . 6 1 1 A 12 12 ALA C C 12 176.813 176.278 0.535 1
1 77 . 6 1 1 A 12 12 ALA CA C 12 51.252 51.717 -0.465 1
1 78 . 6 1 1 A 12 12 ALA CB C 12 20.719 20.774 -0.055 1
1 79 . 6 1 1 A 12 12 ALA N N 12 127.219 123.816 3.403 1
1 80 . 6 1 1 A 13 13 ALA H H 13 8.891 9.143 -0.252 1
1 81 . 6 1 1 A 13 13 ALA HA H 13 3.874 4.031 -0.157 1
1 85 . 6 1 1 A 13 13 ALA C C 13 176.194 177.303 -1.109 1
1 86 . 6 1 1 A 13 13 ALA CA C 13 53.380 52.129 1.251 1
1 87 . 6 1 1 A 13 13 ALA CB C 13 19.448 18.620 0.828 1
1 88 . 6 1 1 A 13 13 ALA N N 13 126.618 127.167 -0.549 1
1 89 . 6 1 1 A 14 14 GLU H H 14 9.604 9.004 0.600 1
1 90 . 6 1 1 A 14 14 GLU HA H 14 4.336 4.105 0.231 1
1 95 . 6 1 1 A 14 14 GLU C C 14 176.093 175.951 0.142 1
1 96 . 6 1 1 A 14 14 GLU CA C 14 57.356 58.923 -1.567 1
1 97 . 6 1 1 A 14 14 GLU CB C 14 32.273 30.588 1.685 1
1 99 . 6 1 1 A 14 14 GLU N N 14 123.285 125.346 -2.061 1
1 100 . 6 1 1 A 15 15 CYS H H 15 7.655 7.413 0.242 1
1 101 . 6 1 1 A 15 15 CYS HA H 15 4.527 4.539 -0.012 1
1 104 . 6 1 1 A 15 15 CYS C C 15 171.003 172.527 -1.524 1
1 105 . 6 1 1 A 15 15 CYS CA C 15 56.674 58.221 -1.547 1
1 106 . 6 1 1 A 15 15 CYS CB C 15 29.765 30.715 -0.950 1
1 107 . 6 1 1 A 15 15 CYS N N 15 110.806 116.246 -5.440 1
1 108 . 6 1 1 A 16 16 ILE H H 16 8.316 8.655 -0.339 1
1 109 . 6 1 1 A 16 16 ILE HA H 16 4.344 3.964 0.380 1
1 119 . 6 1 1 A 16 16 ILE C C 16 175.432 175.352 0.080 1
1 120 . 6 1 1 A 16 16 ILE CA C 16 60.047 61.440 -1.393 1
1 121 . 6 1 1 A 16 16 ILE CB C 16 39.308 37.563 1.745 1
1 125 . 6 1 1 A 16 16 ILE N N 16 121.665 124.571 -2.906 1
1 126 . 6 1 1 A 17 17 LEU H H 17 9.207 9.060 0.147 1
1 127 . 6 1 1 A 17 17 LEU HA H 17 4.425 4.400 0.025 1
1 137 . 6 1 1 A 17 17 LEU C C 17 177.573 176.465 1.108 1
1 138 . 6 1 1 A 17 17 LEU CA C 17 55.825 55.903 -0.078 1
1 139 . 6 1 1 A 17 17 LEU CB C 17 44.400 42.473 1.927 1
1 143 . 6 1 1 A 17 17 LEU N N 17 124.728 129.432 -4.704 1
1 144 . 6 1 1 A 18 18 SER H H 18 7.082 7.429 -0.347 1
1 145 . 6 1 1 A 18 18 SER HA H 18 4.778 4.848 -0.070 1
1 148 . 6 1 1 A 18 18 SER C C 18 171.685 172.390 -0.705 1
1 149 . 6 1 1 A 18 18 SER CA C 18 57.075 56.719 0.356 1
1 150 . 6 1 1 A 18 18 SER CB C 18 64.550 65.364 -0.814 1
1 151 . 6 1 1 A 18 18 SER N N 18 110.441 109.733 0.708 1
1 152 . 6 1 1 A 19 19 LYS H H 19 8.745 9.203 -0.458 1
1 153 . 6 1 1 A 19 19 LYS HA H 19 5.836 5.540 0.296 1
1 162 . 6 1 1 A 19 19 LYS C C 19 174.068 174.728 -0.660 1
1 163 . 6 1 1 A 19 19 LYS CA C 19 54.770 54.804 -0.034 1
1 164 . 6 1 1 A 19 19 LYS CB C 19 37.493 36.230 1.263 1
1 168 . 6 1 1 A 19 19 LYS N N 19 120.354 119.313 1.041 1
1 169 . 6 1 1 A 20 20 ARG H H 20 9.264 9.233 0.031 1
1 170 . 6 1 1 A 20 20 ARG HA H 20 4.703 5.061 -0.358 1
1 178 . 6 1 1 A 20 20 ARG C C 20 171.618 173.933 -2.315 1
1 179 . 6 1 1 A 20 20 ARG CA C 20 54.471 53.773 0.698 1
1 180 . 6 1 1 A 20 20 ARG CB C 20 32.578 34.146 -1.568 1
1 183 . 6 1 1 A 20 20 ARG N N 20 119.809 120.335 -0.526 1
1 185 . 6 1 1 A 21 21 LEU H H 21 8.286 8.716 -0.430 1
1 186 . 6 1 1 A 21 21 LEU HA H 21 4.927 5.405 -0.478 1
1 196 . 6 1 1 A 21 21 LEU C C 21 176.880 174.447 2.433 1
1 197 . 6 1 1 A 21 21 LEU CA C 21 53.433 53.459 -0.026 1
1 198 . 6 1 1 A 21 21 LEU CB C 21 43.905 46.721 -2.816 1
1 202 . 6 1 1 A 21 21 LEU N N 21 121.552 121.751 -0.199 1
1 203 . 6 1 1 A 22 22 ARG H H 22 9.146 8.514 0.632 1
1 204 . 6 1 1 A 22 22 ARG HA H 22 4.434 4.420 0.014 1
1 211 . 6 1 1 A 22 22 ARG C C 22 175.379 174.868 0.511 1
1 212 . 6 1 1 A 22 22 ARG CA C 22 55.468 56.017 -0.549 1
1 213 . 6 1 1 A 22 22 ARG CB C 22 33.049 33.020 0.029 1
1 216 . 6 1 1 A 22 22 ARG N N 22 126.472 124.806 1.666 1
1 217 . 6 1 1 A 23 23 LYS H H 23 9.505 9.322 0.183 1
1 218 . 6 1 1 A 23 23 LYS HA H 23 3.839 3.958 -0.119 1
1 227 . 6 1 1 A 23 23 LYS C C 23 176.521 176.794 -0.273 1
1 228 . 6 1 1 A 23 23 LYS CA C 23 57.127 57.211 -0.084 1
1 229 . 6 1 1 A 23 23 LYS CB C 23 29.988 30.120 -0.132 1
1 233 . 6 1 1 A 24 24 GLY H H 24 8.438 8.667 -0.229 1
1 234 . 6 1 1 A 24 24 GLY HA2 H 24 4.124 3.865 0.259 1
1 235 . 6 1 1 A 24 24 GLY HA3 H 24 3.517 3.869 -0.352 1
1 236 . 6 1 1 A 24 24 GLY C C 24 173.338 173.829 -0.491 1
1 237 . 6 1 1 A 24 24 GLY CA C 24 45.481 45.813 -0.332 1
1 238 . 6 1 1 A 24 24 GLY N N 24 103.048 104.160 -1.112 1
1 239 . 6 1 1 A 25 25 LYS H H 25 7.785 8.158 -0.373 1
1 240 . 6 1 1 A 25 25 LYS HA H 25 4.635 4.638 -0.003 1
1 249 . 6 1 1 A 25 25 LYS C C 25 174.733 174.128 0.605 1
1 250 . 6 1 1 A 25 25 LYS CA C 25 54.365 54.586 -0.221 1
1 251 . 6 1 1 A 25 25 LYS CB C 25 34.616 34.956 -0.340 1
1 255 . 6 1 1 A 25 25 LYS N N 25 121.463 119.762 1.701 1
1 256 . 6 1 1 A 26 26 LEU H H 26 8.555 8.728 -0.173 1
1 257 . 6 1 1 A 26 26 LEU HA H 26 4.763 4.902 -0.139 1
1 267 . 6 1 1 A 26 26 LEU C C 26 176.596 174.790 1.806 1
1 268 . 6 1 1 A 26 26 LEU CA C 26 54.999 53.659 1.340 1
1 269 . 6 1 1 A 26 26 LEU CB C 26 43.167 43.959 -0.792 1
1 273 . 6 1 1 A 26 26 LEU N N 26 124.731 126.790 -2.059 1
1 274 . 6 1 1 A 27 27 GLU H H 27 8.944 8.973 -0.029 1
1 275 . 6 1 1 A 27 27 GLU HA H 27 4.923 5.158 -0.235 1
1 280 . 6 1 1 A 27 27 GLU C C 27 174.422 175.051 -0.629 1
1 281 . 6 1 1 A 27 27 GLU CA C 27 53.874 54.785 -0.911 1
1 282 . 6 1 1 A 27 27 GLU CB C 27 35.191 32.768 2.423 1
1 284 . 6 1 1 A 27 27 GLU N N 27 122.189 126.362 -4.173 1
1 285 . 6 1 1 A 28 28 TYR H H 28 9.423 9.429 -0.006 1
1 286 . 6 1 1 A 28 28 TYR HA H 28 5.265 4.979 0.286 1
1 293 . 6 1 1 A 28 28 TYR C C 28 174.020 174.690 -0.670 1
1 294 . 6 1 1 A 28 28 TYR CA C 28 56.511 56.775 -0.264 1
1 295 . 6 1 1 A 28 28 TYR CB C 28 41.646 40.333 1.313 1
1 300 . 6 1 1 A 28 28 TYR N N 28 118.361 122.509 -4.148 1
1 301 . 6 1 1 A 29 29 LEU H H 29 7.779 8.298 -0.519 1
1 302 . 6 1 1 A 29 29 LEU HA H 29 3.634 3.389 0.245 1
1 312 . 6 1 1 A 29 29 LEU C C 29 173.992 174.868 -0.876 1
1 313 . 6 1 1 A 29 29 LEU CA C 29 53.680 54.160 -0.480 1
1 314 . 6 1 1 A 29 29 LEU CB C 29 40.115 41.270 -1.155 1
1 318 . 6 1 1 A 29 29 LEU N N 29 127.541 126.480 1.061 1
1 319 . 6 1 1 A 30 30 VAL H H 30 8.936 7.821 1.115 1
1 320 . 6 1 1 A 30 30 VAL HA H 30 3.915 3.996 -0.081 1
1 328 . 6 1 1 A 30 30 VAL C C 30 173.840 174.428 -0.588 1
1 329 . 6 1 1 A 30 30 VAL CA C 30 62.106 61.530 0.576 1
1 330 . 6 1 1 A 30 30 VAL CB C 30 34.458 31.803 2.655 1
1 333 . 6 1 1 A 30 30 VAL N N 30 130.095 127.692 2.403 1
1 334 . 6 1 1 A 31 31 LYS H H 31 7.596 7.778 -0.182 1
1 335 . 6 1 1 A 31 31 LYS HA H 31 4.525 4.609 -0.084 1
1 344 . 6 1 1 A 31 31 LYS C C 31 175.379 174.473 0.906 1
1 345 . 6 1 1 A 31 31 LYS CA C 31 53.574 54.393 -0.819 1
1 346 . 6 1 1 A 31 31 LYS CB C 31 34.848 34.653 0.195 1
1 350 . 6 1 1 A 31 31 LYS N N 31 123.992 124.920 -0.928 1
1 351 . 6 1 1 A 32 32 TRP H H 32 9.368 8.595 0.773 1
1 352 . 6 1 1 A 32 32 TRP HA H 32 4.816 5.313 -0.497 1
1 361 . 6 1 1 A 32 32 TRP C C 32 176.830 176.329 0.501 1
1 362 . 6 1 1 A 32 32 TRP CA C 32 56.002 56.501 -0.499 1
1 363 . 6 1 1 A 32 32 TRP CB C 32 31.163 31.101 0.062 1
1 369 . 6 1 1 A 32 32 TRP N N 32 131.754 128.441 3.313 1
1 371 . 6 1 1 A 33 33 ARG H H 33 9.455 8.976 0.479 1
1 372 . 6 1 1 A 33 33 ARG HA H 33 4.345 3.925 0.420 1
1 379 . 6 1 1 A 33 33 ARG C C 33 178.092 177.356 0.736 1
1 380 . 6 1 1 A 33 33 ARG CA C 33 57.590 57.678 -0.088 1
1 381 . 6 1 1 A 33 33 ARG CB C 33 30.400 30.724 -0.324 1
1 384 . 6 1 1 A 33 33 ARG N N 33 124.374 123.849 0.525 1
1 385 . 6 1 1 A 34 34 GLY H H 34 9.319 8.848 0.471 1
1 386 . 6 1 1 A 34 34 GLY HA2 H 34 3.642 3.801 -0.159 1
1 387 . 6 1 1 A 34 34 GLY HA3 H 34 3.976 3.867 0.109 1
1 388 . 6 1 1 A 34 34 GLY CA C 34 45.636 45.436 0.200 1
1 389 . 6 1 1 A 34 34 GLY N N 34 114.254 110.864 3.390 1
1 390 . 6 1 1 A 35 35 TRP H H 35 7.725 7.985 -0.260 1
1 391 . 6 1 1 A 35 35 TRP HA H 35 4.785 4.695 0.090 1
1 400 . 6 1 1 A 35 35 TRP CA C 35 55.641 57.752 -2.111 1
1 401 . 6 1 1 A 35 35 TRP CB C 35 31.352 30.659 0.693 1
1 407 . 6 1 1 A 35 35 TRP N N 35 120.008 121.953 -1.945 1
1 409 . 6 1 1 A 36 36 SER H H 36 8.785 8.936 -0.151 1
1 410 . 6 1 1 A 36 36 SER HA H 36 4.587 4.526 0.061 1
1 413 . 6 1 1 A 36 36 SER CA C 36 58.364 59.831 -1.467 1
1 414 . 6 1 1 A 36 36 SER CB C 36 64.741 64.373 0.368 1
1 415 . 6 1 1 A 36 36 SER N N 36 117.243 122.194 -4.951 1
1 416 . 6 1 1 A 37 37 SER HA H 37 4.491 4.116 0.375 1
1 419 . 6 1 1 A 37 37 SER CA C 37 60.248 62.103 -1.855 1
1 420 . 6 1 1 A 37 37 SER CB C 37 63.340 62.817 0.523 1
1 421 . 6 1 1 A 38 38 LYS HA H 38 4.155 4.029 0.126 1
1 430 . 6 1 1 A 38 38 LYS CA C 38 58.001 58.685 -0.684 1
1 431 . 6 1 1 A 38 38 LYS CB C 38 32.378 32.282 0.096 1
1 435 . 6 1 1 A 39 39 HIS H H 39 8.245 8.003 0.242 1
1 436 . 6 1 1 A 39 39 HIS HA H 39 4.460 4.837 -0.377 1
1 441 . 6 1 1 A 39 39 HIS CA C 39 56.031 54.891 1.140 1
1 442 . 6 1 1 A 39 39 HIS CB C 39 30.068 28.324 1.744 1
1 445 . 6 1 1 A 39 39 HIS N N 39 117.908 114.385 3.523 1
1 446 . 6 1 1 A 40 40 ASN H H 40 7.746 7.663 0.083 1
1 447 . 6 1 1 A 40 40 ASN HA H 40 5.176 5.264 -0.088 1
1 452 . 6 1 1 A 40 40 ASN C C 40 176.114 174.826 1.288 1
1 453 . 6 1 1 A 40 40 ASN CA C 40 54.102 52.090 2.012 1
1 454 . 6 1 1 A 40 40 ASN CB C 40 37.123 40.170 -3.047 1
1 455 . 6 1 1 A 40 40 ASN N N 40 121.018 117.957 3.061 1
1 457 . 6 1 1 A 41 41 SER H H 41 8.492 8.573 -0.081 1
1 458 . 6 1 1 A 41 41 SER HA H 41 4.866 5.079 -0.213 1
1 461 . 6 1 1 A 41 41 SER C C 41 172.479 172.948 -0.469 1
1 462 . 6 1 1 A 41 41 SER CA C 41 57.145 57.637 -0.492 1
1 463 . 6 1 1 A 41 41 SER CB C 41 66.057 66.065 -0.008 1
1 464 . 6 1 1 A 41 41 SER N N 41 115.675 115.118 0.557 1
1 465 . 6 1 1 A 42 42 TRP H H 42 8.604 9.044 -0.440 1
1 466 . 6 1 1 A 42 42 TRP HA H 42 4.980 5.065 -0.085 1
1 475 . 6 1 1 A 42 42 TRP C C 42 177.025 176.006 1.019 1
1 476 . 6 1 1 A 42 42 TRP CA C 42 56.477 56.952 -0.475 1
1 477 . 6 1 1 A 42 42 TRP CB C 42 29.625 29.688 -0.063 1
1 483 . 6 1 1 A 42 42 TRP N N 42 123.109 126.187 -3.078 1
1 485 . 6 1 1 A 43 43 GLU H H 43 9.916 8.578 1.338 1
1 486 . 6 1 1 A 43 43 GLU HA H 43 5.225 4.894 0.331 1
1 491 . 6 1 1 A 43 43 GLU C C 43 174.192 174.072 0.120 1
1 492 . 6 1 1 A 43 43 GLU CA C 43 52.230 53.162 -0.932 1
1 493 . 6 1 1 A 43 43 GLU CB C 43 32.537 30.912 1.625 1
1 495 . 6 1 1 A 43 43 GLU N N 43 125.182 124.759 0.423 1
1 496 . 6 1 1 A 44 44 PRO HA H 44 4.934 4.971 -0.037 1
1 503 . 6 1 1 A 44 44 PRO C C 44 177.782 177.727 0.055 1
1 504 . 6 1 1 A 44 44 PRO CA C 44 62.525 62.547 -0.022 1
1 505 . 6 1 1 A 44 44 PRO CB C 44 32.730 32.828 -0.098 1
1 508 . 6 1 1 A 45 45 GLU H H 45 8.637 9.291 -0.654 1
1 509 . 6 1 1 A 45 45 GLU HA H 45 3.965 4.187 -0.222 1
1 514 . 6 1 1 A 45 45 GLU C C 45 177.990 178.590 -0.600 1
1 515 . 6 1 1 A 45 45 GLU CA C 45 60.293 59.752 0.541 1
1 516 . 6 1 1 A 45 45 GLU CB C 45 30.235 29.567 0.668 1
1 518 . 6 1 1 A 45 45 GLU N N 45 120.441 123.368 -2.927 1
1 519 . 6 1 1 A 46 46 GLU H H 46 9.698 8.841 0.857 1
1 520 . 6 1 1 A 46 46 GLU HA H 46 4.243 4.155 0.088 1
1 525 . 6 1 1 A 46 46 GLU C C 46 176.547 177.932 -1.385 1
1 526 . 6 1 1 A 46 46 GLU CA C 46 58.693 58.613 0.080 1
1 527 . 6 1 1 A 46 46 GLU CB C 46 28.448 27.845 0.603 1
1 529 . 6 1 1 A 46 46 GLU N N 46 117.193 117.249 -0.056 1
1 530 . 6 1 1 A 47 47 ASN H H 47 8.119 8.319 -0.200 1
1 531 . 6 1 1 A 47 47 ASN HA H 47 4.922 4.728 0.194 1
1 536 . 6 1 1 A 47 47 ASN C C 47 175.293 175.832 -0.539 1
1 537 . 6 1 1 A 47 47 ASN CA C 47 52.430 54.693 -2.263 1
1 538 . 6 1 1 A 47 47 ASN CB C 47 38.439 39.358 -0.919 1
1 539 . 6 1 1 A 47 47 ASN N N 47 118.023 116.585 1.438 1
1 541 . 6 1 1 A 48 48 ILE H H 48 7.695 7.385 0.310 1
1 542 . 6 1 1 A 48 48 ILE HA H 48 4.075 4.272 -0.197 1
1 552 . 6 1 1 A 48 48 ILE C C 48 175.029 175.570 -0.541 1
1 553 . 6 1 1 A 48 48 ILE CA C 48 59.749 61.621 -1.872 1
1 554 . 6 1 1 A 48 48 ILE CB C 48 35.109 36.924 -1.815 1
1 558 . 6 1 1 A 48 48 ILE N N 48 121.906 120.110 1.796 1
1 559 . 6 1 1 A 49 49 LEU H H 49 8.137 8.453 -0.316 1
1 560 . 6 1 1 A 49 49 LEU HA H 49 4.286 4.334 -0.048 1
1 570 . 6 1 1 A 49 49 LEU C C 49 176.808 176.972 -0.164 1
1 571 . 6 1 1 A 49 49 LEU CA C 49 55.748 56.587 -0.839 1
1 572 . 6 1 1 A 49 49 LEU CB C 49 42.088 42.837 -0.749 1
1 576 . 6 1 1 A 49 49 LEU N N 49 125.062 129.333 -4.271 1
1 577 . 6 1 1 A 50 50 ASP H H 50 7.284 7.820 -0.536 1
1 578 . 6 1 1 A 50 50 ASP HA H 50 5.077 4.808 0.269 1
1 581 . 6 1 1 A 50 50 ASP C C 50 174.968 176.076 -1.108 1
1 582 . 6 1 1 A 50 50 ASP CA C 50 50.443 51.964 -1.521 1
1 583 . 6 1 1 A 50 50 ASP CB C 50 41.822 40.814 1.008 1
1 584 . 6 1 1 A 50 50 ASP N N 50 118.019 118.575 -0.556 1
1 585 . 6 1 1 A 51 51 PRO HA H 51 4.258 4.265 -0.007 1
1 592 . 6 1 1 A 51 51 PRO C C 51 179.037 178.886 0.151 1
1 593 . 6 1 1 A 51 51 PRO CA C 51 64.372 64.917 -0.545 1
1 594 . 6 1 1 A 51 51 PRO CB C 51 32.382 32.058 0.324 1
1 597 . 6 1 1 A 52 52 ARG H H 52 8.253 8.487 -0.234 1
1 598 . 6 1 1 A 52 52 ARG HA H 52 3.995 4.039 -0.044 1
1 605 . 6 1 1 A 52 52 ARG C C 52 179.774 178.781 0.993 1
1 606 . 6 1 1 A 52 52 ARG CA C 52 59.255 59.251 0.004 1
1 607 . 6 1 1 A 52 52 ARG CB C 52 29.608 29.924 -0.316 1
1 610 . 6 1 1 A 52 52 ARG N N 52 117.657 118.464 -0.807 1
1 611 . 6 1 1 A 53 53 LEU H H 53 7.576 7.899 -0.323 1
1 612 . 6 1 1 A 53 53 LEU HA H 53 4.043 3.919 0.124 1
1 622 . 6 1 1 A 53 53 LEU C C 53 180.197 178.793 1.404 1
1 623 . 6 1 1 A 53 53 LEU CA C 53 57.620 57.856 -0.236 1
1 624 . 6 1 1 A 53 53 LEU CB C 53 42.080 41.997 0.083 1
1 628 . 6 1 1 A 53 53 LEU N N 53 118.887 120.231 -1.344 1
1 629 . 6 1 1 A 54 54 LEU H H 54 7.185 8.102 -0.917 1
1 630 . 6 1 1 A 54 54 LEU HA H 54 3.966 3.672 0.294 1
1 640 . 6 1 1 A 54 54 LEU C C 54 178.631 179.064 -0.433 1
1 641 . 6 1 1 A 54 54 LEU CA C 54 57.549 57.939 -0.390 1
1 642 . 6 1 1 A 54 54 LEU CB C 54 41.646 41.662 -0.016 1
1 646 . 6 1 1 A 54 54 LEU N N 54 119.814 117.637 2.177 1
1 647 . 6 1 1 A 55 55 LEU H H 55 7.791 8.371 -0.580 1
1 648 . 6 1 1 A 55 55 LEU HA H 55 4.132 3.874 0.258 1
1 658 . 6 1 1 A 55 55 LEU C C 55 179.501 178.658 0.843 1
1 659 . 6 1 1 A 55 55 LEU CA C 55 58.007 58.165 -0.158 1
1 660 . 6 1 1 A 55 55 LEU CB C 55 41.523 41.531 -0.008 1
1 664 . 6 1 1 A 55 55 LEU N N 55 120.290 118.192 2.098 1
1 665 . 6 1 1 A 56 56 ALA H H 56 7.771 8.205 -0.434 1
1 666 . 6 1 1 A 56 56 ALA HA H 56 4.145 4.078 0.067 1
1 670 . 6 1 1 A 56 56 ALA C C 56 180.157 180.084 0.073 1
1 671 . 6 1 1 A 56 56 ALA CA C 56 54.963 55.087 -0.124 1
1 672 . 6 1 1 A 56 56 ALA CB C 56 18.232 18.517 -0.285 1
1 673 . 6 1 1 A 56 56 ALA N N 56 119.874 120.226 -0.352 1
1 674 . 6 1 1 A 57 57 PHE H H 57 7.526 7.574 -0.048 1
1 675 . 6 1 1 A 57 57 PHE HA H 57 4.451 4.154 0.297 1
1 683 . 6 1 1 A 57 57 PHE C C 57 176.838 177.373 -0.535 1
1 684 . 6 1 1 A 57 57 PHE CA C 57 60.822 61.391 -0.569 1
1 685 . 6 1 1 A 57 57 PHE CB C 57 39.878 39.212 0.666 1
1 691 . 6 1 1 A 57 57 PHE N N 57 119.210 119.355 -0.145 1
1 692 . 6 1 1 A 58 58 GLN H H 58 8.415 8.641 -0.226 1
1 693 . 6 1 1 A 58 58 GLN HA H 58 3.874 3.938 -0.064 1
1 700 . 6 1 1 A 58 58 GLN C C 58 178.639 178.317 0.322 1
1 701 . 6 1 1 A 58 58 GLN CA C 58 58.499 59.201 -0.702 1
1 702 . 6 1 1 A 58 58 GLN CB C 58 28.325 28.290 0.035 1
1 704 . 6 1 1 A 58 58 GLN N N 58 118.702 117.631 1.071 1
1 706 . 6 1 1 A 59 59 LYS H H 59 7.918 7.844 0.074 1
1 707 . 6 1 1 A 59 59 LYS HA H 59 4.121 3.986 0.135 1
1 716 . 6 1 1 A 59 59 LYS C C 59 178.269 178.892 -0.623 1
1 717 . 6 1 1 A 59 59 LYS CA C 59 58.921 59.516 -0.595 1
1 718 . 6 1 1 A 59 59 LYS CB C 59 32.437 32.285 0.152 1
1 722 . 6 1 1 A 59 59 LYS N N 59 119.131 120.640 -1.509 1
1 723 . 6 1 1 A 60 60 LYS H H 60 7.595 7.608 -0.013 1
1 724 . 6 1 1 A 60 60 LYS HA H 60 4.133 3.978 0.155 1
1 733 . 6 1 1 A 60 60 LYS C C 60 178.836 179.560 -0.724 1
1 734 . 6 1 1 A 60 60 LYS CA C 60 58.323 59.826 -1.503 1
1 735 . 6 1 1 A 60 60 LYS CB C 60 32.150 32.176 -0.026 1
1 739 . 6 1 1 A 60 60 LYS N N 60 120.016 118.456 1.560 1
1 740 . 6 1 1 A 61 61 GLU H H 61 8.095 8.161 -0.066 1
1 741 . 6 1 1 A 61 61 GLU HA H 61 3.936 3.768 0.168 1
1 746 . 6 1 1 A 61 61 GLU C C 61 178.233 178.814 -0.581 1
1 747 . 6 1 1 A 61 61 GLU CA C 61 58.605 59.509 -0.904 1
1 748 . 6 1 1 A 61 61 GLU CB C 61 29.806 29.256 0.550 1
1 750 . 6 1 1 A 61 61 GLU N N 61 119.560 119.486 0.074 1
1 751 . 6 1 1 A 62 62 HIS H H 62 8.037 8.138 -0.101 1
1 752 . 6 1 1 A 62 62 HIS HA H 62 4.517 4.030 0.487 1
1 757 . 6 1 1 A 62 62 HIS C C 62 176.449 177.022 -0.573 1
1 758 . 6 1 1 A 62 62 HIS CA C 62 57.740 59.967 -2.227 1
1 759 . 6 1 1 A 62 62 HIS CB C 62 29.928 29.842 0.086 1
1 762 . 6 1 1 A 62 62 HIS N N 62 118.437 119.684 -1.247 1
1 763 . 6 1 1 A 63 63 GLU H H 63 8.010 8.278 -0.268 1
1 764 . 6 1 1 A 63 63 GLU HA H 63 4.096 3.991 0.105 1
1 769 . 6 1 1 A 63 63 GLU C C 63 177.485 179.527 -2.042 1
1 770 . 6 1 1 A 63 63 GLU CA C 63 57.954 59.769 -1.815 1
1 771 . 6 1 1 A 63 63 GLU CB C 63 29.783 29.437 0.346 1
1 773 . 6 1 1 A 63 63 GLU N N 63 119.622 117.890 1.732 1
1 774 . 6 1 1 A 64 64 LYS H H 64 7.874 7.601 0.273 1
1 775 . 6 1 1 A 64 64 LYS HA H 64 4.213 4.015 0.198 1
1 784 . 6 1 1 A 64 64 LYS C C 64 177.341 177.551 -0.210 1
1 785 . 6 1 1 A 64 64 LYS CA C 64 57.479 59.593 -2.114 1
1 786 . 6 1 1 A 64 64 LYS CB C 64 32.684 32.191 0.493 1
1 790 . 6 1 1 A 64 64 LYS N N 64 119.617 120.091 -0.474 1
1 791 . 6 1 1 A 65 65 GLU H H 65 8.044 7.885 0.159 1
1 792 . 6 1 1 A 65 65 GLU HA H 65 4.236 4.103 0.133 1
1 797 . 6 1 1 A 65 65 GLU C C 65 177.451 177.741 -0.290 1
1 798 . 6 1 1 A 65 65 GLU CA C 65 57.426 57.005 0.421 1
1 799 . 6 1 1 A 65 65 GLU CB C 65 29.971 31.013 -1.042 1
1 801 . 6 1 1 A 65 65 GLU N N 65 120.606 118.173 2.433 1
1 802 . 6 1 1 A 66 66 VAL H H 66 8.028 8.599 -0.571 1
1 803 . 6 1 1 A 66 66 VAL HA H 66 4.035 4.014 0.021 1
1 811 . 6 1 1 A 66 66 VAL C C 66 176.848 175.636 1.212 1
1 812 . 6 1 1 A 66 66 VAL CA C 66 63.160 63.833 -0.673 1
1 813 . 6 1 1 A 66 66 VAL CB C 66 32.396 32.060 0.336 1
1 816 . 6 1 1 A 66 66 VAL N N 66 119.834 122.453 -2.619 1
1 817 . 6 1 1 A 67 67 GLN H H 67 8.265 7.475 0.790 1
1 818 . 6 1 1 A 67 67 GLN HA H 67 4.313 4.697 -0.384 1
1 825 . 6 1 1 A 67 67 GLN C C 67 176.073 173.390 2.683 1
1 826 . 6 1 1 A 67 67 GLN CA C 67 56.283 55.800 0.483 1
1 827 . 6 1 1 A 67 67 GLN CB C 67 29.216 31.634 -2.418 1
1 829 . 6 1 1 A 67 67 GLN N N 67 122.698 120.651 2.047 1
1 831 . 6 1 1 A 68 68 ASN H H 68 8.391 8.749 -0.358 1
1 832 . 6 1 1 A 68 68 ASN HA H 68 4.782 5.134 -0.352 1
1 837 . 6 1 1 A 68 68 ASN C C 68 175.242 174.081 1.161 1
1 838 . 6 1 1 A 68 68 ASN CA C 68 53.487 52.471 1.016 1
1 839 . 6 1 1 A 68 68 ASN CB C 68 39.138 42.209 -3.071 1
1 840 . 6 1 1 A 68 68 ASN N N 68 119.609 125.071 -5.462 1
1 842 . 6 1 1 A 69 69 SER H H 69 8.272 8.773 -0.501 1
1 843 . 6 1 1 A 69 69 SER HA H 69 4.501 5.074 -0.573 1
1 846 . 6 1 1 A 69 69 SER C C 69 174.630 175.077 -0.447 1
1 847 . 6 1 1 A 69 69 SER CA C 69 58.587 56.842 1.745 1
1 848 . 6 1 1 A 69 69 SER CB C 69 64.174 64.418 -0.244 1
1 849 . 6 1 1 A 69 69 SER N N 69 116.106 119.702 -3.596 1
1 850 . 6 1 1 A 70 70 GLY H H 70 8.251 8.612 -0.361 1
1 851 . 6 1 1 A 70 70 GLY HA2 H 70 4.175 3.994 0.181 1
1 852 . 6 1 1 A 70 70 GLY HA3 H 70 4.144 4.007 0.137 1
1 853 . 6 1 1 A 70 70 GLY C C 70 171.843 173.312 -1.469 1
1 854 . 6 1 1 A 70 70 GLY CA C 70 44.709 44.931 -0.222 1
1 855 . 6 1 1 A 70 70 GLY N N 70 110.658 109.048 1.610 1
1 856 . 6 1 1 A 71 71 PRO HA H 71 4.501 4.639 -0.138 1
1 863 . 6 1 1 A 71 71 PRO C C 71 177.457 175.274 2.183 1
1 864 . 6 1 1 A 71 71 PRO CA C 71 63.300 62.754 0.546 1
1 865 . 6 1 1 A 71 71 PRO CB C 71 32.008 32.600 -0.592 1
1 868 . 6 1 1 A 72 72 SER H H 72 8.536 8.456 0.080 1
1 869 . 6 1 1 A 72 72 SER CA C 72 58.429 57.981 0.448 1
1 1 . 7 1 1 A 6 6 SER HA H 6 4.501 4.118 0.383 1
1 4 . 7 1 1 A 6 6 SER C C 6 175.089 175.481 -0.392 1
1 5 . 7 1 1 A 6 6 SER CA C 6 58.675 60.498 -1.823 1
1 6 . 7 1 1 A 6 6 SER CB C 6 63.909 63.308 0.601 1
1 7 . 7 1 1 A 7 7 GLY H H 7 8.374 7.758 0.616 1
1 8 . 7 1 1 A 7 7 GLY HA2 H 7 3.966 4.092 -0.126 1
1 9 . 7 1 1 A 7 7 GLY HA3 H 7 3.966 4.109 -0.143 1
1 10 . 7 1 1 A 7 7 GLY C C 7 174.147 173.502 0.645 1
1 11 . 7 1 1 A 7 7 GLY CA C 7 45.359 45.562 -0.203 1
1 12 . 7 1 1 A 7 7 GLY N N 7 110.638 107.537 3.101 1
1 13 . 7 1 1 A 8 8 GLU H H 8 8.255 8.064 0.191 1
1 14 . 7 1 1 A 8 8 GLU HA H 8 4.273 3.857 0.416 1
1 19 . 7 1 1 A 8 8 GLU C C 8 176.471 174.816 1.655 1
1 20 . 7 1 1 A 8 8 GLU CA C 8 56.582 57.477 -0.895 1
1 21 . 7 1 1 A 8 8 GLU CB C 8 30.299 27.135 3.164 1
1 23 . 7 1 1 A 8 8 GLU N N 8 120.542 113.456 7.086 1
1 24 . 7 1 1 A 9 9 GLN H H 9 8.397 7.617 0.780 1
1 25 . 7 1 1 A 9 9 GLN HA H 9 4.332 4.734 -0.402 1
1 32 . 7 1 1 A 9 9 GLN C C 9 175.365 174.606 0.759 1
1 33 . 7 1 1 A 9 9 GLN CA C 9 55.668 54.795 0.873 1
1 34 . 7 1 1 A 9 9 GLN CB C 9 29.560 32.020 -2.460 1
1 36 . 7 1 1 A 9 9 GLN N N 9 121.410 117.172 4.238 1
1 38 . 7 1 1 A 10 10 VAL H H 10 8.104 8.550 -0.446 1
1 39 . 7 1 1 A 10 10 VAL HA H 10 4.054 4.131 -0.077 1
1 47 . 7 1 1 A 10 10 VAL C C 10 175.736 174.887 0.849 1
1 48 . 7 1 1 A 10 10 VAL CA C 10 62.334 63.034 -0.700 1
1 49 . 7 1 1 A 10 10 VAL CB C 10 33.136 32.503 0.633 1
1 52 . 7 1 1 A 10 10 VAL N N 10 121.590 127.450 -5.860 1
1 53 . 7 1 1 A 11 11 PHE H H 11 8.491 9.065 -0.574 1
1 54 . 7 1 1 A 11 11 PHE HA H 11 4.696 5.551 -0.855 1
1 62 . 7 1 1 A 11 11 PHE C C 11 174.477 174.575 -0.098 1
1 63 . 7 1 1 A 11 11 PHE CA C 11 57.444 55.127 2.317 1
1 64 . 7 1 1 A 11 11 PHE CB C 11 39.467 41.494 -2.027 1
1 70 . 7 1 1 A 11 11 PHE N N 11 125.302 124.457 0.845 1
1 71 . 7 1 1 A 12 12 ALA H H 12 9.203 9.060 0.143 1
1 72 . 7 1 1 A 12 12 ALA HA H 12 4.866 4.954 -0.088 1
1 76 . 7 1 1 A 12 12 ALA C C 12 176.813 176.040 0.773 1
1 77 . 7 1 1 A 12 12 ALA CA C 12 51.252 51.025 0.227 1
1 78 . 7 1 1 A 12 12 ALA CB C 12 20.719 20.752 -0.033 1
1 79 . 7 1 1 A 12 12 ALA N N 12 127.219 123.353 3.866 1
1 80 . 7 1 1 A 13 13 ALA H H 13 8.891 8.976 -0.085 1
1 81 . 7 1 1 A 13 13 ALA HA H 13 3.874 4.063 -0.189 1
1 85 . 7 1 1 A 13 13 ALA C C 13 176.194 177.130 -0.936 1
1 86 . 7 1 1 A 13 13 ALA CA C 13 53.380 52.052 1.328 1
1 87 . 7 1 1 A 13 13 ALA CB C 13 19.448 18.409 1.039 1
1 88 . 7 1 1 A 13 13 ALA N N 13 126.618 127.673 -1.055 1
1 89 . 7 1 1 A 14 14 GLU H H 14 9.604 9.149 0.455 1
1 90 . 7 1 1 A 14 14 GLU HA H 14 4.336 4.111 0.225 1
1 95 . 7 1 1 A 14 14 GLU C C 14 176.093 175.950 0.143 1
1 96 . 7 1 1 A 14 14 GLU CA C 14 57.356 58.919 -1.563 1
1 97 . 7 1 1 A 14 14 GLU CB C 14 32.273 30.582 1.691 1
1 99 . 7 1 1 A 14 14 GLU N N 14 123.285 125.164 -1.879 1
1 100 . 7 1 1 A 15 15 CYS H H 15 7.655 7.464 0.191 1
1 101 . 7 1 1 A 15 15 CYS HA H 15 4.527 4.545 -0.018 1
1 104 . 7 1 1 A 15 15 CYS C C 15 171.003 172.654 -1.651 1
1 105 . 7 1 1 A 15 15 CYS CA C 15 56.674 58.228 -1.554 1
1 106 . 7 1 1 A 15 15 CYS CB C 15 29.765 30.727 -0.962 1
1 107 . 7 1 1 A 15 15 CYS N N 15 110.806 116.271 -5.465 1
1 108 . 7 1 1 A 16 16 ILE H H 16 8.316 8.663 -0.347 1
1 109 . 7 1 1 A 16 16 ILE HA H 16 4.344 3.892 0.452 1
1 119 . 7 1 1 A 16 16 ILE C C 16 175.432 175.332 0.100 1
1 120 . 7 1 1 A 16 16 ILE CA C 16 60.047 61.518 -1.471 1
1 121 . 7 1 1 A 16 16 ILE CB C 16 39.308 37.642 1.666 1
1 125 . 7 1 1 A 16 16 ILE N N 16 121.665 124.307 -2.642 1
1 126 . 7 1 1 A 17 17 LEU H H 17 9.207 9.184 0.023 1
1 127 . 7 1 1 A 17 17 LEU HA H 17 4.425 4.416 0.009 1
1 137 . 7 1 1 A 17 17 LEU C C 17 177.573 176.483 1.090 1
1 138 . 7 1 1 A 17 17 LEU CA C 17 55.825 55.820 0.005 1
1 139 . 7 1 1 A 17 17 LEU CB C 17 44.400 42.553 1.847 1
1 143 . 7 1 1 A 17 17 LEU N N 17 124.728 129.202 -4.474 1
1 144 . 7 1 1 A 18 18 SER H H 18 7.082 7.369 -0.287 1
1 145 . 7 1 1 A 18 18 SER HA H 18 4.778 4.918 -0.140 1
1 148 . 7 1 1 A 18 18 SER C C 18 171.685 172.341 -0.656 1
1 149 . 7 1 1 A 18 18 SER CA C 18 57.075 56.695 0.380 1
1 150 . 7 1 1 A 18 18 SER CB C 18 64.550 65.237 -0.687 1
1 151 . 7 1 1 A 18 18 SER N N 18 110.441 109.661 0.780 1
1 152 . 7 1 1 A 19 19 LYS H H 19 8.745 9.203 -0.458 1
1 153 . 7 1 1 A 19 19 LYS HA H 19 5.836 5.851 -0.015 1
1 162 . 7 1 1 A 19 19 LYS C C 19 174.068 174.705 -0.637 1
1 163 . 7 1 1 A 19 19 LYS CA C 19 54.770 54.626 0.144 1
1 164 . 7 1 1 A 19 19 LYS CB C 19 37.493 37.260 0.233 1
1 168 . 7 1 1 A 19 19 LYS N N 19 120.354 119.289 1.065 1
1 169 . 7 1 1 A 20 20 ARG H H 20 9.264 8.731 0.533 1
1 170 . 7 1 1 A 20 20 ARG HA H 20 4.703 5.029 -0.326 1
1 178 . 7 1 1 A 20 20 ARG C C 20 171.618 173.333 -1.715 1
1 179 . 7 1 1 A 20 20 ARG CA C 20 54.471 54.996 -0.525 1
1 180 . 7 1 1 A 20 20 ARG CB C 20 32.578 33.491 -0.913 1
1 183 . 7 1 1 A 20 20 ARG N N 20 119.809 118.856 0.953 1
1 185 . 7 1 1 A 21 21 LEU H H 21 8.286 8.721 -0.435 1
1 186 . 7 1 1 A 21 21 LEU HA H 21 4.927 5.060 -0.133 1
1 196 . 7 1 1 A 21 21 LEU C C 21 176.880 175.694 1.186 1
1 197 . 7 1 1 A 21 21 LEU CA C 21 53.433 53.723 -0.290 1
1 198 . 7 1 1 A 21 21 LEU CB C 21 43.905 44.607 -0.702 1
1 202 . 7 1 1 A 21 21 LEU N N 21 121.552 123.675 -2.123 1
1 203 . 7 1 1 A 22 22 ARG H H 22 9.146 8.647 0.499 1
1 204 . 7 1 1 A 22 22 ARG HA H 22 4.434 4.415 0.019 1
1 211 . 7 1 1 A 22 22 ARG C C 22 175.379 175.331 0.048 1
1 212 . 7 1 1 A 22 22 ARG CA C 22 55.468 57.282 -1.814 1
1 213 . 7 1 1 A 22 22 ARG CB C 22 33.049 32.747 0.302 1
1 216 . 7 1 1 A 22 22 ARG N N 22 126.472 126.407 0.065 1
1 217 . 7 1 1 A 23 23 LYS H H 23 9.505 8.138 1.367 1
1 218 . 7 1 1 A 23 23 LYS HA H 23 3.839 4.457 -0.618 1
1 227 . 7 1 1 A 23 23 LYS C C 23 176.521 175.966 0.555 1
1 228 . 7 1 1 A 23 23 LYS CA C 23 57.127 54.680 2.447 1
1 229 . 7 1 1 A 23 23 LYS CB C 23 29.988 33.227 -3.239 1
1 233 . 7 1 1 A 24 24 GLY H H 24 8.438 8.343 0.095 1
1 234 . 7 1 1 A 24 24 GLY HA2 H 24 4.124 3.874 0.250 1
1 235 . 7 1 1 A 24 24 GLY HA3 H 24 3.517 3.876 -0.359 1
1 236 . 7 1 1 A 24 24 GLY C C 24 173.338 173.525 -0.187 1
1 237 . 7 1 1 A 24 24 GLY CA C 24 45.481 45.708 -0.227 1
1 238 . 7 1 1 A 24 24 GLY N N 24 103.048 113.343 -10.295 1
1 239 . 7 1 1 A 25 25 LYS H H 25 7.785 7.907 -0.122 1
1 240 . 7 1 1 A 25 25 LYS HA H 25 4.635 4.814 -0.179 1
1 249 . 7 1 1 A 25 25 LYS C C 25 174.733 174.501 0.232 1
1 250 . 7 1 1 A 25 25 LYS CA C 25 54.365 54.116 0.249 1
1 251 . 7 1 1 A 25 25 LYS CB C 25 34.616 35.396 -0.780 1
1 255 . 7 1 1 A 25 25 LYS N N 25 121.463 120.047 1.416 1
1 256 . 7 1 1 A 26 26 LEU H H 26 8.555 8.714 -0.159 1
1 257 . 7 1 1 A 26 26 LEU HA H 26 4.763 5.084 -0.321 1
1 267 . 7 1 1 A 26 26 LEU C C 26 176.596 174.850 1.746 1
1 268 . 7 1 1 A 26 26 LEU CA C 26 54.999 53.263 1.736 1
1 269 . 7 1 1 A 26 26 LEU CB C 26 43.167 45.432 -2.265 1
1 273 . 7 1 1 A 26 26 LEU N N 26 124.731 124.022 0.709 1
1 274 . 7 1 1 A 27 27 GLU H H 27 8.944 9.298 -0.354 1
1 275 . 7 1 1 A 27 27 GLU HA H 27 4.923 4.942 -0.019 1
1 280 . 7 1 1 A 27 27 GLU C C 27 174.422 175.009 -0.587 1
1 281 . 7 1 1 A 27 27 GLU CA C 27 53.874 54.634 -0.760 1
1 282 . 7 1 1 A 27 27 GLU CB C 27 35.191 32.955 2.236 1
1 284 . 7 1 1 A 27 27 GLU N N 27 122.189 126.052 -3.863 1
1 285 . 7 1 1 A 28 28 TYR H H 28 9.423 9.429 -0.006 1
1 286 . 7 1 1 A 28 28 TYR HA H 28 5.265 5.062 0.203 1
1 293 . 7 1 1 A 28 28 TYR C C 28 174.020 174.470 -0.450 1
1 294 . 7 1 1 A 28 28 TYR CA C 28 56.511 56.706 -0.195 1
1 295 . 7 1 1 A 28 28 TYR CB C 28 41.646 41.302 0.344 1
1 300 . 7 1 1 A 28 28 TYR N N 28 118.361 121.586 -3.225 1
1 301 . 7 1 1 A 29 29 LEU H H 29 7.779 8.423 -0.644 1
1 302 . 7 1 1 A 29 29 LEU HA H 29 3.634 3.389 0.245 1
1 312 . 7 1 1 A 29 29 LEU C C 29 173.992 174.466 -0.474 1
1 313 . 7 1 1 A 29 29 LEU CA C 29 53.680 53.900 -0.220 1
1 314 . 7 1 1 A 29 29 LEU CB C 29 40.115 41.241 -1.126 1
1 318 . 7 1 1 A 29 29 LEU N N 29 127.541 126.427 1.114 1
1 319 . 7 1 1 A 30 30 VAL H H 30 8.936 8.103 0.833 1
1 320 . 7 1 1 A 30 30 VAL HA H 30 3.915 3.872 0.043 1
1 328 . 7 1 1 A 30 30 VAL C C 30 173.840 174.528 -0.688 1
1 329 . 7 1 1 A 30 30 VAL CA C 30 62.106 61.865 0.241 1
1 330 . 7 1 1 A 30 30 VAL CB C 30 34.458 31.875 2.583 1
1 333 . 7 1 1 A 30 30 VAL N N 30 130.095 127.465 2.630 1
1 334 . 7 1 1 A 31 31 LYS H H 31 7.596 7.974 -0.378 1
1 335 . 7 1 1 A 31 31 LYS HA H 31 4.525 4.566 -0.041 1
1 344 . 7 1 1 A 31 31 LYS C C 31 175.379 174.420 0.959 1
1 345 . 7 1 1 A 31 31 LYS CA C 31 53.574 54.366 -0.792 1
1 346 . 7 1 1 A 31 31 LYS CB C 31 34.848 34.787 0.061 1
1 350 . 7 1 1 A 31 31 LYS N N 31 123.992 126.366 -2.374 1
1 351 . 7 1 1 A 32 32 TRP H H 32 9.368 8.571 0.797 1
1 352 . 7 1 1 A 32 32 TRP HA H 32 4.816 5.289 -0.473 1
1 361 . 7 1 1 A 32 32 TRP C C 32 176.830 176.183 0.647 1
1 362 . 7 1 1 A 32 32 TRP CA C 32 56.002 56.468 -0.466 1
1 363 . 7 1 1 A 32 32 TRP CB C 32 31.163 30.619 0.544 1
1 369 . 7 1 1 A 32 32 TRP N N 32 131.754 128.389 3.365 1
1 371 . 7 1 1 A 33 33 ARG H H 33 9.455 8.921 0.534 1
1 372 . 7 1 1 A 33 33 ARG HA H 33 4.345 3.912 0.433 1
1 379 . 7 1 1 A 33 33 ARG C C 33 178.092 177.413 0.679 1
1 380 . 7 1 1 A 33 33 ARG CA C 33 57.590 57.785 -0.195 1
1 381 . 7 1 1 A 33 33 ARG CB C 33 30.400 30.665 -0.265 1
1 384 . 7 1 1 A 33 33 ARG N N 33 124.374 123.975 0.399 1
1 385 . 7 1 1 A 34 34 GLY H H 34 9.319 8.781 0.538 1
1 386 . 7 1 1 A 34 34 GLY HA2 H 34 3.642 3.775 -0.133 1
1 387 . 7 1 1 A 34 34 GLY HA3 H 34 3.976 3.857 0.119 1
1 388 . 7 1 1 A 34 34 GLY CA C 34 45.636 45.363 0.273 1
1 389 . 7 1 1 A 34 34 GLY N N 34 114.254 110.710 3.544 1
1 390 . 7 1 1 A 35 35 TRP H H 35 7.725 8.050 -0.325 1
1 391 . 7 1 1 A 35 35 TRP HA H 35 4.785 4.712 0.073 1
1 400 . 7 1 1 A 35 35 TRP CA C 35 55.641 57.753 -2.112 1
1 401 . 7 1 1 A 35 35 TRP CB C 35 31.352 30.617 0.735 1
1 407 . 7 1 1 A 35 35 TRP N N 35 120.008 121.627 -1.619 1
1 409 . 7 1 1 A 36 36 SER H H 36 8.785 9.170 -0.385 1
1 410 . 7 1 1 A 36 36 SER HA H 36 4.587 4.579 0.008 1
1 413 . 7 1 1 A 36 36 SER CA C 36 58.364 59.167 -0.803 1
1 414 . 7 1 1 A 36 36 SER CB C 36 64.741 64.354 0.387 1
1 415 . 7 1 1 A 36 36 SER N N 36 117.243 120.642 -3.399 1
1 416 . 7 1 1 A 37 37 SER HA H 37 4.491 4.518 -0.027 1
1 419 . 7 1 1 A 37 37 SER CA C 37 60.248 58.839 1.409 1
1 420 . 7 1 1 A 37 37 SER CB C 37 63.340 62.734 0.606 1
1 421 . 7 1 1 A 38 38 LYS HA H 38 4.155 4.605 -0.450 1
1 430 . 7 1 1 A 38 38 LYS CA C 38 58.001 57.435 0.566 1
1 431 . 7 1 1 A 38 38 LYS CB C 38 32.378 35.258 -2.880 1
1 435 . 7 1 1 A 39 39 HIS H H 39 8.245 8.086 0.159 1
1 436 . 7 1 1 A 39 39 HIS HA H 39 4.460 4.758 -0.298 1
1 441 . 7 1 1 A 39 39 HIS CA C 39 56.031 54.867 1.164 1
1 442 . 7 1 1 A 39 39 HIS CB C 39 30.068 27.484 2.584 1
1 445 . 7 1 1 A 39 39 HIS N N 39 117.908 116.305 1.603 1
1 446 . 7 1 1 A 40 40 ASN H H 40 7.746 7.840 -0.094 1
1 447 . 7 1 1 A 40 40 ASN HA H 40 5.176 5.271 -0.095 1
1 452 . 7 1 1 A 40 40 ASN C C 40 176.114 174.889 1.225 1
1 453 . 7 1 1 A 40 40 ASN CA C 40 54.102 52.050 2.052 1
1 454 . 7 1 1 A 40 40 ASN CB C 40 37.123 40.079 -2.956 1
1 455 . 7 1 1 A 40 40 ASN N N 40 121.018 118.271 2.747 1
1 457 . 7 1 1 A 41 41 SER H H 41 8.492 8.421 0.071 1
1 458 . 7 1 1 A 41 41 SER HA H 41 4.866 5.457 -0.591 1
1 461 . 7 1 1 A 41 41 SER C C 41 172.479 172.785 -0.306 1
1 462 . 7 1 1 A 41 41 SER CA C 41 57.145 56.043 1.102 1
1 463 . 7 1 1 A 41 41 SER CB C 41 66.057 66.495 -0.438 1
1 464 . 7 1 1 A 41 41 SER N N 41 115.675 111.684 3.991 1
1 465 . 7 1 1 A 42 42 TRP H H 42 8.604 9.101 -0.497 1
1 466 . 7 1 1 A 42 42 TRP HA H 42 4.980 5.287 -0.307 1
1 475 . 7 1 1 A 42 42 TRP C C 42 177.025 175.767 1.258 1
1 476 . 7 1 1 A 42 42 TRP CA C 42 56.477 55.730 0.747 1
1 477 . 7 1 1 A 42 42 TRP CB C 42 29.625 30.142 -0.517 1
1 483 . 7 1 1 A 42 42 TRP N N 42 123.109 123.013 0.096 1
1 485 . 7 1 1 A 43 43 GLU H H 43 9.916 8.639 1.277 1
1 486 . 7 1 1 A 43 43 GLU HA H 43 5.225 4.899 0.326 1
1 491 . 7 1 1 A 43 43 GLU C C 43 174.192 174.138 0.054 1
1 492 . 7 1 1 A 43 43 GLU CA C 43 52.230 53.235 -1.005 1
1 493 . 7 1 1 A 43 43 GLU CB C 43 32.537 30.817 1.720 1
1 495 . 7 1 1 A 43 43 GLU N N 43 125.182 124.850 0.332 1
1 496 . 7 1 1 A 44 44 PRO HA H 44 4.934 4.853 0.081 1
1 503 . 7 1 1 A 44 44 PRO C C 44 177.782 177.568 0.214 1
1 504 . 7 1 1 A 44 44 PRO CA C 44 62.525 62.614 -0.089 1
1 505 . 7 1 1 A 44 44 PRO CB C 44 32.730 32.612 0.118 1
1 508 . 7 1 1 A 45 45 GLU H H 45 8.637 9.080 -0.443 1
1 509 . 7 1 1 A 45 45 GLU HA H 45 3.965 4.188 -0.223 1
1 514 . 7 1 1 A 45 45 GLU C C 45 177.990 178.552 -0.562 1
1 515 . 7 1 1 A 45 45 GLU CA C 45 60.293 59.730 0.563 1
1 516 . 7 1 1 A 45 45 GLU CB C 45 30.235 29.605 0.630 1
1 518 . 7 1 1 A 45 45 GLU N N 45 120.441 122.866 -2.425 1
1 519 . 7 1 1 A 46 46 GLU H H 46 9.698 8.715 0.983 1
1 520 . 7 1 1 A 46 46 GLU HA H 46 4.243 4.100 0.143 1
1 525 . 7 1 1 A 46 46 GLU C C 46 176.547 178.219 -1.672 1
1 526 . 7 1 1 A 46 46 GLU CA C 46 58.693 58.739 -0.046 1
1 527 . 7 1 1 A 46 46 GLU CB C 46 28.448 28.261 0.187 1
1 529 . 7 1 1 A 46 46 GLU N N 46 117.193 117.227 -0.034 1
1 530 . 7 1 1 A 47 47 ASN H H 47 8.119 8.033 0.086 1
1 531 . 7 1 1 A 47 47 ASN HA H 47 4.922 4.726 0.196 1
1 536 . 7 1 1 A 47 47 ASN C C 47 175.293 175.896 -0.603 1
1 537 . 7 1 1 A 47 47 ASN CA C 47 52.430 54.820 -2.390 1
1 538 . 7 1 1 A 47 47 ASN CB C 47 38.439 39.272 -0.833 1
1 539 . 7 1 1 A 47 47 ASN N N 47 118.023 116.410 1.613 1
1 541 . 7 1 1 A 48 48 ILE H H 48 7.695 7.507 0.188 1
1 542 . 7 1 1 A 48 48 ILE HA H 48 4.075 4.298 -0.223 1
1 552 . 7 1 1 A 48 48 ILE C C 48 175.029 175.599 -0.570 1
1 553 . 7 1 1 A 48 48 ILE CA C 48 59.749 61.613 -1.864 1
1 554 . 7 1 1 A 48 48 ILE CB C 48 35.109 36.966 -1.857 1
1 558 . 7 1 1 A 48 48 ILE N N 48 121.906 120.057 1.849 1
1 559 . 7 1 1 A 49 49 LEU H H 49 8.137 8.542 -0.405 1
1 560 . 7 1 1 A 49 49 LEU HA H 49 4.286 4.381 -0.095 1
1 570 . 7 1 1 A 49 49 LEU C C 49 176.808 177.101 -0.293 1
1 571 . 7 1 1 A 49 49 LEU CA C 49 55.748 56.667 -0.919 1
1 572 . 7 1 1 A 49 49 LEU CB C 49 42.088 43.012 -0.924 1
1 576 . 7 1 1 A 49 49 LEU N N 49 125.062 129.271 -4.209 1
1 577 . 7 1 1 A 50 50 ASP H H 50 7.284 7.928 -0.644 1
1 578 . 7 1 1 A 50 50 ASP HA H 50 5.077 4.793 0.284 1
1 581 . 7 1 1 A 50 50 ASP C C 50 174.968 175.920 -0.952 1
1 582 . 7 1 1 A 50 50 ASP CA C 50 50.443 52.149 -1.706 1
1 583 . 7 1 1 A 50 50 ASP CB C 50 41.822 40.599 1.223 1
1 584 . 7 1 1 A 50 50 ASP N N 50 118.019 118.582 -0.563 1
1 585 . 7 1 1 A 51 51 PRO HA H 51 4.258 4.274 -0.016 1
1 592 . 7 1 1 A 51 51 PRO C C 51 179.037 178.799 0.238 1
1 593 . 7 1 1 A 51 51 PRO CA C 51 64.372 64.922 -0.550 1
1 594 . 7 1 1 A 51 51 PRO CB C 51 32.382 32.049 0.333 1
1 597 . 7 1 1 A 52 52 ARG H H 52 8.253 8.536 -0.283 1
1 598 . 7 1 1 A 52 52 ARG HA H 52 3.995 4.058 -0.063 1
1 605 . 7 1 1 A 52 52 ARG C C 52 179.774 178.781 0.993 1
1 606 . 7 1 1 A 52 52 ARG CA C 52 59.255 59.181 0.074 1
1 607 . 7 1 1 A 52 52 ARG CB C 52 29.608 29.944 -0.336 1
1 610 . 7 1 1 A 52 52 ARG N N 52 117.657 118.454 -0.797 1
1 611 . 7 1 1 A 53 53 LEU H H 53 7.576 7.917 -0.341 1
1 612 . 7 1 1 A 53 53 LEU HA H 53 4.043 3.926 0.117 1
1 622 . 7 1 1 A 53 53 LEU C C 53 180.197 178.820 1.377 1
1 623 . 7 1 1 A 53 53 LEU CA C 53 57.620 57.807 -0.187 1
1 624 . 7 1 1 A 53 53 LEU CB C 53 42.080 41.668 0.412 1
1 628 . 7 1 1 A 53 53 LEU N N 53 118.887 119.885 -0.998 1
1 629 . 7 1 1 A 54 54 LEU H H 54 7.185 8.088 -0.903 1
1 630 . 7 1 1 A 54 54 LEU HA H 54 3.966 3.637 0.329 1
1 640 . 7 1 1 A 54 54 LEU C C 54 178.631 179.307 -0.676 1
1 641 . 7 1 1 A 54 54 LEU CA C 54 57.549 58.033 -0.484 1
1 642 . 7 1 1 A 54 54 LEU CB C 54 41.646 41.602 0.044 1
1 646 . 7 1 1 A 54 54 LEU N N 54 119.814 117.607 2.207 1
1 647 . 7 1 1 A 55 55 LEU H H 55 7.791 8.229 -0.438 1
1 648 . 7 1 1 A 55 55 LEU HA H 55 4.132 3.848 0.284 1
1 658 . 7 1 1 A 55 55 LEU C C 55 179.501 178.666 0.835 1
1 659 . 7 1 1 A 55 55 LEU CA C 55 58.007 58.185 -0.178 1
1 660 . 7 1 1 A 55 55 LEU CB C 55 41.523 41.779 -0.256 1
1 664 . 7 1 1 A 55 55 LEU N N 55 120.290 118.389 1.901 1
1 665 . 7 1 1 A 56 56 ALA H H 56 7.771 8.172 -0.401 1
1 666 . 7 1 1 A 56 56 ALA HA H 56 4.145 4.087 0.058 1
1 670 . 7 1 1 A 56 56 ALA C C 56 180.157 180.176 -0.019 1
1 671 . 7 1 1 A 56 56 ALA CA C 56 54.963 55.272 -0.309 1
1 672 . 7 1 1 A 56 56 ALA CB C 56 18.232 18.668 -0.436 1
1 673 . 7 1 1 A 56 56 ALA N N 56 119.874 120.194 -0.320 1
1 674 . 7 1 1 A 57 57 PHE H H 57 7.526 7.487 0.039 1
1 675 . 7 1 1 A 57 57 PHE HA H 57 4.451 4.140 0.311 1
1 683 . 7 1 1 A 57 57 PHE C C 57 176.838 177.476 -0.638 1
1 684 . 7 1 1 A 57 57 PHE CA C 57 60.822 61.420 -0.598 1
1 685 . 7 1 1 A 57 57 PHE CB C 57 39.878 39.187 0.691 1
1 691 . 7 1 1 A 57 57 PHE N N 57 119.210 119.322 -0.112 1
1 692 . 7 1 1 A 58 58 GLN H H 58 8.415 8.663 -0.248 1
1 693 . 7 1 1 A 58 58 GLN HA H 58 3.874 3.906 -0.032 1
1 700 . 7 1 1 A 58 58 GLN C C 58 178.639 178.248 0.391 1
1 701 . 7 1 1 A 58 58 GLN CA C 58 58.499 59.356 -0.857 1
1 702 . 7 1 1 A 58 58 GLN CB C 58 28.325 28.337 -0.012 1
1 704 . 7 1 1 A 58 58 GLN N N 58 118.702 117.850 0.852 1
1 706 . 7 1 1 A 59 59 LYS H H 59 7.918 7.933 -0.015 1
1 707 . 7 1 1 A 59 59 LYS HA H 59 4.121 3.976 0.145 1
1 716 . 7 1 1 A 59 59 LYS C C 59 178.269 179.029 -0.760 1
1 717 . 7 1 1 A 59 59 LYS CA C 59 58.921 59.516 -0.595 1
1 718 . 7 1 1 A 59 59 LYS CB C 59 32.437 32.217 0.220 1
1 722 . 7 1 1 A 59 59 LYS N N 59 119.131 120.619 -1.488 1
1 723 . 7 1 1 A 60 60 LYS H H 60 7.595 7.601 -0.006 1
1 724 . 7 1 1 A 60 60 LYS HA H 60 4.133 4.030 0.103 1
1 733 . 7 1 1 A 60 60 LYS C C 60 178.836 179.520 -0.684 1
1 734 . 7 1 1 A 60 60 LYS CA C 60 58.323 59.769 -1.446 1
1 735 . 7 1 1 A 60 60 LYS CB C 60 32.150 32.059 0.091 1
1 739 . 7 1 1 A 60 60 LYS N N 60 120.016 118.496 1.520 1
1 740 . 7 1 1 A 61 61 GLU H H 61 8.095 8.320 -0.225 1
1 741 . 7 1 1 A 61 61 GLU HA H 61 3.936 3.763 0.173 1
1 746 . 7 1 1 A 61 61 GLU C C 61 178.233 178.881 -0.648 1
1 747 . 7 1 1 A 61 61 GLU CA C 61 58.605 59.379 -0.774 1
1 748 . 7 1 1 A 61 61 GLU CB C 61 29.806 29.344 0.462 1
1 750 . 7 1 1 A 61 61 GLU N N 61 119.560 119.610 -0.050 1
1 751 . 7 1 1 A 62 62 HIS H H 62 8.037 7.599 0.438 1
1 752 . 7 1 1 A 62 62 HIS HA H 62 4.517 4.428 0.089 1
1 757 . 7 1 1 A 62 62 HIS C C 62 176.449 176.708 -0.259 1
1 758 . 7 1 1 A 62 62 HIS CA C 62 57.740 59.774 -2.034 1
1 759 . 7 1 1 A 62 62 HIS CB C 62 29.928 29.791 0.137 1
1 762 . 7 1 1 A 62 62 HIS N N 62 118.437 119.371 -0.934 1
1 763 . 7 1 1 A 63 63 GLU H H 63 8.010 8.400 -0.390 1
1 764 . 7 1 1 A 63 63 GLU HA H 63 4.096 3.835 0.261 1
1 769 . 7 1 1 A 63 63 GLU C C 63 177.485 179.155 -1.670 1
1 770 . 7 1 1 A 63 63 GLU CA C 63 57.954 60.013 -2.059 1
1 771 . 7 1 1 A 63 63 GLU CB C 63 29.783 29.404 0.379 1
1 773 . 7 1 1 A 63 63 GLU N N 63 119.622 117.135 2.487 1
1 774 . 7 1 1 A 64 64 LYS H H 64 7.874 7.628 0.246 1
1 775 . 7 1 1 A 64 64 LYS HA H 64 4.213 4.269 -0.056 1
1 784 . 7 1 1 A 64 64 LYS C C 64 177.341 176.594 0.747 1
1 785 . 7 1 1 A 64 64 LYS CA C 64 57.479 58.531 -1.052 1
1 786 . 7 1 1 A 64 64 LYS CB C 64 32.684 33.039 -0.355 1
1 790 . 7 1 1 A 64 64 LYS N N 64 119.617 118.166 1.451 1
1 791 . 7 1 1 A 65 65 GLU H H 65 8.044 7.903 0.141 1
1 792 . 7 1 1 A 65 65 GLU HA H 65 4.236 4.769 -0.533 1
1 797 . 7 1 1 A 65 65 GLU C C 65 177.451 174.822 2.629 1
1 798 . 7 1 1 A 65 65 GLU CA C 65 57.426 54.800 2.626 1
1 799 . 7 1 1 A 65 65 GLU CB C 65 29.971 32.804 -2.833 1
1 801 . 7 1 1 A 65 65 GLU N N 65 120.606 117.672 2.934 1
1 802 . 7 1 1 A 66 66 VAL H H 66 8.028 8.594 -0.566 1
1 803 . 7 1 1 A 66 66 VAL HA H 66 4.035 4.782 -0.747 1
1 811 . 7 1 1 A 66 66 VAL C C 66 176.848 174.484 2.364 1
1 812 . 7 1 1 A 66 66 VAL CA C 66 63.160 60.801 2.359 1
1 813 . 7 1 1 A 66 66 VAL CB C 66 32.396 34.767 -2.371 1
1 816 . 7 1 1 A 66 66 VAL N N 66 119.834 121.336 -1.502 1
1 817 . 7 1 1 A 67 67 GLN H H 67 8.265 8.809 -0.544 1
1 818 . 7 1 1 A 67 67 GLN HA H 67 4.313 4.487 -0.174 1
1 825 . 7 1 1 A 67 67 GLN C C 67 176.073 174.612 1.461 1
1 826 . 7 1 1 A 67 67 GLN CA C 67 56.283 55.835 0.448 1
1 827 . 7 1 1 A 67 67 GLN CB C 67 29.216 31.635 -2.419 1
1 829 . 7 1 1 A 67 67 GLN N N 67 122.698 124.474 -1.776 1
1 831 . 7 1 1 A 68 68 ASN H H 68 8.391 8.792 -0.401 1
1 832 . 7 1 1 A 68 68 ASN HA H 68 4.782 4.243 0.539 1
1 837 . 7 1 1 A 68 68 ASN C C 68 175.242 174.695 0.547 1
1 838 . 7 1 1 A 68 68 ASN CA C 68 53.487 54.123 -0.636 1
1 839 . 7 1 1 A 68 68 ASN CB C 68 39.138 36.771 2.367 1
1 840 . 7 1 1 A 68 68 ASN N N 68 119.609 123.517 -3.908 1
1 842 . 7 1 1 A 69 69 SER H H 69 8.272 7.800 0.472 1
1 843 . 7 1 1 A 69 69 SER HA H 69 4.501 4.399 0.102 1
1 846 . 7 1 1 A 69 69 SER C C 69 174.630 175.065 -0.435 1
1 847 . 7 1 1 A 69 69 SER CA C 69 58.587 60.144 -1.557 1
1 848 . 7 1 1 A 69 69 SER CB C 69 64.174 63.965 0.209 1
1 849 . 7 1 1 A 69 69 SER N N 69 116.106 113.035 3.071 1
1 850 . 7 1 1 A 70 70 GLY H H 70 8.251 8.355 -0.104 1
1 851 . 7 1 1 A 70 70 GLY HA2 H 70 4.175 4.284 -0.109 1
1 852 . 7 1 1 A 70 70 GLY HA3 H 70 4.144 4.287 -0.143 1
1 853 . 7 1 1 A 70 70 GLY C C 70 171.843 172.367 -0.524 1
1 854 . 7 1 1 A 70 70 GLY CA C 70 44.709 43.977 0.732 1
1 855 . 7 1 1 A 70 70 GLY N N 70 110.658 111.570 -0.912 1
1 856 . 7 1 1 A 71 71 PRO HA H 71 4.501 4.747 -0.246 1
1 863 . 7 1 1 A 71 71 PRO C C 71 177.457 176.782 0.675 1
1 864 . 7 1 1 A 71 71 PRO CA C 71 63.300 62.289 1.011 1
1 865 . 7 1 1 A 71 71 PRO CB C 71 32.008 29.542 2.466 1
1 868 . 7 1 1 A 72 72 SER H H 72 8.536 8.147 0.389 1
1 869 . 7 1 1 A 72 72 SER CA C 72 58.429 57.434 0.995 1
1 1 . 8 1 1 A 6 6 SER HA H 6 4.501 4.446 0.055 1
1 4 . 8 1 1 A 6 6 SER C C 6 175.089 176.132 -1.043 1
1 5 . 8 1 1 A 6 6 SER CA C 6 58.675 62.493 -3.818 1
1 6 . 8 1 1 A 6 6 SER CB C 6 63.909 63.472 0.437 1
1 7 . 8 1 1 A 7 7 GLY H H 7 8.374 8.236 0.138 1
1 8 . 8 1 1 A 7 7 GLY HA2 H 7 3.966 4.125 -0.159 1
1 9 . 8 1 1 A 7 7 GLY HA3 H 7 3.966 4.152 -0.186 1
1 10 . 8 1 1 A 7 7 GLY C C 7 174.147 174.771 -0.624 1
1 11 . 8 1 1 A 7 7 GLY CA C 7 45.359 44.699 0.660 1
1 12 . 8 1 1 A 7 7 GLY N N 7 110.638 109.954 0.684 1
1 13 . 8 1 1 A 8 8 GLU H H 8 8.255 8.504 -0.249 1
1 14 . 8 1 1 A 8 8 GLU HA H 8 4.273 4.388 -0.115 1
1 19 . 8 1 1 A 8 8 GLU C C 8 176.471 176.616 -0.145 1
1 20 . 8 1 1 A 8 8 GLU CA C 8 56.582 58.089 -1.507 1
1 21 . 8 1 1 A 8 8 GLU CB C 8 30.299 30.787 -0.488 1
1 23 . 8 1 1 A 8 8 GLU N N 8 120.542 118.941 1.601 1
1 24 . 8 1 1 A 9 9 GLN H H 9 8.397 7.864 0.533 1
1 25 . 8 1 1 A 9 9 GLN HA H 9 4.332 4.578 -0.246 1
1 32 . 8 1 1 A 9 9 GLN C C 9 175.365 175.270 0.095 1
1 33 . 8 1 1 A 9 9 GLN CA C 9 55.668 55.211 0.457 1
1 34 . 8 1 1 A 9 9 GLN CB C 9 29.560 29.400 0.160 1
1 36 . 8 1 1 A 9 9 GLN N N 9 121.410 117.193 4.217 1
1 38 . 8 1 1 A 10 10 VAL H H 10 8.104 8.498 -0.394 1
1 39 . 8 1 1 A 10 10 VAL HA H 10 4.054 4.018 0.036 1
1 47 . 8 1 1 A 10 10 VAL C C 10 175.736 175.050 0.686 1
1 48 . 8 1 1 A 10 10 VAL CA C 10 62.334 63.042 -0.708 1
1 49 . 8 1 1 A 10 10 VAL CB C 10 33.136 32.524 0.612 1
1 52 . 8 1 1 A 10 10 VAL N N 10 121.590 124.913 -3.323 1
1 53 . 8 1 1 A 11 11 PHE H H 11 8.491 8.784 -0.293 1
1 54 . 8 1 1 A 11 11 PHE HA H 11 4.696 5.729 -1.033 1
1 62 . 8 1 1 A 11 11 PHE C C 11 174.477 173.888 0.589 1
1 63 . 8 1 1 A 11 11 PHE CA C 11 57.444 54.742 2.702 1
1 64 . 8 1 1 A 11 11 PHE CB C 11 39.467 42.257 -2.790 1
1 70 . 8 1 1 A 11 11 PHE N N 11 125.302 123.923 1.379 1
1 71 . 8 1 1 A 12 12 ALA H H 12 9.203 9.144 0.059 1
1 72 . 8 1 1 A 12 12 ALA HA H 12 4.866 5.075 -0.209 1
1 76 . 8 1 1 A 12 12 ALA C C 12 176.813 175.874 0.939 1
1 77 . 8 1 1 A 12 12 ALA CA C 12 51.252 51.117 0.135 1
1 78 . 8 1 1 A 12 12 ALA CB C 12 20.719 20.596 0.123 1
1 79 . 8 1 1 A 12 12 ALA N N 12 127.219 122.190 5.029 1
1 80 . 8 1 1 A 13 13 ALA H H 13 8.891 9.113 -0.222 1
1 81 . 8 1 1 A 13 13 ALA HA H 13 3.874 4.009 -0.135 1
1 85 . 8 1 1 A 13 13 ALA C C 13 176.194 177.231 -1.037 1
1 86 . 8 1 1 A 13 13 ALA CA C 13 53.380 51.530 1.850 1
1 87 . 8 1 1 A 13 13 ALA CB C 13 19.448 18.387 1.061 1
1 88 . 8 1 1 A 13 13 ALA N N 13 126.618 128.213 -1.595 1
1 89 . 8 1 1 A 14 14 GLU H H 14 9.604 8.980 0.624 1
1 90 . 8 1 1 A 14 14 GLU HA H 14 4.336 4.038 0.298 1
1 95 . 8 1 1 A 14 14 GLU C C 14 176.093 175.930 0.163 1
1 96 . 8 1 1 A 14 14 GLU CA C 14 57.356 59.500 -2.144 1
1 97 . 8 1 1 A 14 14 GLU CB C 14 32.273 30.316 1.957 1
1 99 . 8 1 1 A 14 14 GLU N N 14 123.285 124.350 -1.065 1
1 100 . 8 1 1 A 15 15 CYS H H 15 7.655 7.453 0.202 1
1 101 . 8 1 1 A 15 15 CYS HA H 15 4.527 4.541 -0.014 1
1 104 . 8 1 1 A 15 15 CYS C C 15 171.003 172.539 -1.536 1
1 105 . 8 1 1 A 15 15 CYS CA C 15 56.674 58.282 -1.608 1
1 106 . 8 1 1 A 15 15 CYS CB C 15 29.765 30.713 -0.948 1
1 107 . 8 1 1 A 15 15 CYS N N 15 110.806 116.288 -5.482 1
1 108 . 8 1 1 A 16 16 ILE H H 16 8.316 8.653 -0.337 1
1 109 . 8 1 1 A 16 16 ILE HA H 16 4.344 3.938 0.406 1
1 119 . 8 1 1 A 16 16 ILE C C 16 175.432 175.536 -0.104 1
1 120 . 8 1 1 A 16 16 ILE CA C 16 60.047 61.262 -1.215 1
1 121 . 8 1 1 A 16 16 ILE CB C 16 39.308 37.043 2.265 1
1 125 . 8 1 1 A 16 16 ILE N N 16 121.665 124.354 -2.689 1
1 126 . 8 1 1 A 17 17 LEU H H 17 9.207 9.196 0.011 1
1 127 . 8 1 1 A 17 17 LEU HA H 17 4.425 4.381 0.044 1
1 137 . 8 1 1 A 17 17 LEU C C 17 177.573 176.372 1.201 1
1 138 . 8 1 1 A 17 17 LEU CA C 17 55.825 55.882 -0.057 1
1 139 . 8 1 1 A 17 17 LEU CB C 17 44.400 42.332 2.068 1
1 143 . 8 1 1 A 17 17 LEU N N 17 124.728 129.449 -4.721 1
1 144 . 8 1 1 A 18 18 SER H H 18 7.082 7.271 -0.189 1
1 145 . 8 1 1 A 18 18 SER HA H 18 4.778 4.872 -0.094 1
1 148 . 8 1 1 A 18 18 SER C C 18 171.685 172.310 -0.625 1
1 149 . 8 1 1 A 18 18 SER CA C 18 57.075 56.706 0.369 1
1 150 . 8 1 1 A 18 18 SER CB C 18 64.550 64.935 -0.385 1
1 151 . 8 1 1 A 18 18 SER N N 18 110.441 109.353 1.088 1
1 152 . 8 1 1 A 19 19 LYS H H 19 8.745 9.168 -0.423 1
1 153 . 8 1 1 A 19 19 LYS HA H 19 5.836 5.691 0.145 1
1 162 . 8 1 1 A 19 19 LYS C C 19 174.068 174.630 -0.562 1
1 163 . 8 1 1 A 19 19 LYS CA C 19 54.770 54.552 0.218 1
1 164 . 8 1 1 A 19 19 LYS CB C 19 37.493 37.294 0.199 1
1 168 . 8 1 1 A 19 19 LYS N N 19 120.354 119.322 1.032 1
1 169 . 8 1 1 A 20 20 ARG H H 20 9.264 8.831 0.433 1
1 170 . 8 1 1 A 20 20 ARG HA H 20 4.703 5.169 -0.466 1
1 178 . 8 1 1 A 20 20 ARG C C 20 171.618 174.198 -2.580 1
1 179 . 8 1 1 A 20 20 ARG CA C 20 54.471 54.638 -0.167 1
1 180 . 8 1 1 A 20 20 ARG CB C 20 32.578 34.381 -1.803 1
1 183 . 8 1 1 A 20 20 ARG N N 20 119.809 119.214 0.595 1
1 185 . 8 1 1 A 21 21 LEU H H 21 8.286 8.532 -0.246 1
1 186 . 8 1 1 A 21 21 LEU HA H 21 4.927 5.066 -0.139 1
1 196 . 8 1 1 A 21 21 LEU C C 21 176.880 176.090 0.790 1
1 197 . 8 1 1 A 21 21 LEU CA C 21 53.433 54.325 -0.892 1
1 198 . 8 1 1 A 21 21 LEU CB C 21 43.905 45.399 -1.494 1
1 202 . 8 1 1 A 21 21 LEU N N 21 121.552 121.947 -0.395 1
1 203 . 8 1 1 A 22 22 ARG H H 22 9.146 8.328 0.818 1
1 204 . 8 1 1 A 22 22 ARG HA H 22 4.434 4.439 -0.005 1
1 211 . 8 1 1 A 22 22 ARG C C 22 175.379 175.292 0.087 1
1 212 . 8 1 1 A 22 22 ARG CA C 22 55.468 57.253 -1.785 1
1 213 . 8 1 1 A 22 22 ARG CB C 22 33.049 32.542 0.507 1
1 216 . 8 1 1 A 22 22 ARG N N 22 126.472 127.899 -1.427 1
1 217 . 8 1 1 A 23 23 LYS H H 23 9.505 7.975 1.530 1
1 218 . 8 1 1 A 23 23 LYS HA H 23 3.839 4.362 -0.523 1
1 227 . 8 1 1 A 23 23 LYS C C 23 176.521 176.072 0.449 1
1 228 . 8 1 1 A 23 23 LYS CA C 23 57.127 54.946 2.181 1
1 229 . 8 1 1 A 23 23 LYS CB C 23 29.988 32.995 -3.007 1
1 233 . 8 1 1 A 24 24 GLY H H 24 8.438 8.313 0.125 1
1 234 . 8 1 1 A 24 24 GLY HA2 H 24 4.124 3.901 0.223 1
1 235 . 8 1 1 A 24 24 GLY HA3 H 24 3.517 3.904 -0.387 1
1 236 . 8 1 1 A 24 24 GLY C C 24 173.338 174.076 -0.738 1
1 237 . 8 1 1 A 24 24 GLY CA C 24 45.481 46.441 -0.960 1
1 238 . 8 1 1 A 24 24 GLY N N 24 103.048 113.588 -10.540 1
1 239 . 8 1 1 A 25 25 LYS H H 25 7.785 7.869 -0.084 1
1 240 . 8 1 1 A 25 25 LYS HA H 25 4.635 4.531 0.104 1
1 249 . 8 1 1 A 25 25 LYS C C 25 174.733 174.230 0.503 1
1 250 . 8 1 1 A 25 25 LYS CA C 25 54.365 54.961 -0.596 1
1 251 . 8 1 1 A 25 25 LYS CB C 25 34.616 34.511 0.105 1
1 255 . 8 1 1 A 25 25 LYS N N 25 121.463 120.314 1.149 1
1 256 . 8 1 1 A 26 26 LEU H H 26 8.555 8.597 -0.042 1
1 257 . 8 1 1 A 26 26 LEU HA H 26 4.763 5.047 -0.284 1
1 267 . 8 1 1 A 26 26 LEU C C 26 176.596 174.519 2.077 1
1 268 . 8 1 1 A 26 26 LEU CA C 26 54.999 54.050 0.949 1
1 269 . 8 1 1 A 26 26 LEU CB C 26 43.167 43.765 -0.598 1
1 273 . 8 1 1 A 26 26 LEU N N 26 124.731 126.908 -2.177 1
1 274 . 8 1 1 A 27 27 GLU H H 27 8.944 9.216 -0.272 1
1 275 . 8 1 1 A 27 27 GLU HA H 27 4.923 4.931 -0.008 1
1 280 . 8 1 1 A 27 27 GLU C C 27 174.422 175.085 -0.663 1
1 281 . 8 1 1 A 27 27 GLU CA C 27 53.874 54.820 -0.946 1
1 282 . 8 1 1 A 27 27 GLU CB C 27 35.191 32.826 2.365 1
1 284 . 8 1 1 A 27 27 GLU N N 27 122.189 126.238 -4.049 1
1 285 . 8 1 1 A 28 28 TYR H H 28 9.423 9.552 -0.129 1
1 286 . 8 1 1 A 28 28 TYR HA H 28 5.265 4.983 0.282 1
1 293 . 8 1 1 A 28 28 TYR C C 28 174.020 174.708 -0.688 1
1 294 . 8 1 1 A 28 28 TYR CA C 28 56.511 56.476 0.035 1
1 295 . 8 1 1 A 28 28 TYR CB C 28 41.646 40.984 0.662 1
1 300 . 8 1 1 A 28 28 TYR N N 28 118.361 122.508 -4.147 1
1 301 . 8 1 1 A 29 29 LEU H H 29 7.779 8.710 -0.931 1
1 302 . 8 1 1 A 29 29 LEU HA H 29 3.634 3.471 0.163 1
1 312 . 8 1 1 A 29 29 LEU C C 29 173.992 174.402 -0.410 1
1 313 . 8 1 1 A 29 29 LEU CA C 29 53.680 53.746 -0.066 1
1 314 . 8 1 1 A 29 29 LEU CB C 29 40.115 41.287 -1.172 1
1 318 . 8 1 1 A 29 29 LEU N N 29 127.541 125.873 1.668 1
1 319 . 8 1 1 A 30 30 VAL H H 30 8.936 8.071 0.865 1
1 320 . 8 1 1 A 30 30 VAL HA H 30 3.915 3.847 0.068 1
1 328 . 8 1 1 A 30 30 VAL C C 30 173.840 174.469 -0.629 1
1 329 . 8 1 1 A 30 30 VAL CA C 30 62.106 61.932 0.174 1
1 330 . 8 1 1 A 30 30 VAL CB C 30 34.458 31.813 2.645 1
1 333 . 8 1 1 A 30 30 VAL N N 30 130.095 127.321 2.774 1
1 334 . 8 1 1 A 31 31 LYS H H 31 7.596 7.784 -0.188 1
1 335 . 8 1 1 A 31 31 LYS HA H 31 4.525 4.490 0.035 1
1 344 . 8 1 1 A 31 31 LYS C C 31 175.379 174.453 0.926 1
1 345 . 8 1 1 A 31 31 LYS CA C 31 53.574 54.349 -0.775 1
1 346 . 8 1 1 A 31 31 LYS CB C 31 34.848 34.444 0.404 1
1 350 . 8 1 1 A 31 31 LYS N N 31 123.992 125.910 -1.918 1
1 351 . 8 1 1 A 32 32 TRP H H 32 9.368 8.861 0.507 1
1 352 . 8 1 1 A 32 32 TRP HA H 32 4.816 5.264 -0.448 1
1 361 . 8 1 1 A 32 32 TRP C C 32 176.830 176.670 0.160 1
1 362 . 8 1 1 A 32 32 TRP CA C 32 56.002 56.202 -0.200 1
1 363 . 8 1 1 A 32 32 TRP CB C 32 31.163 32.110 -0.947 1
1 369 . 8 1 1 A 32 32 TRP N N 32 131.754 127.299 4.455 1
1 371 . 8 1 1 A 33 33 ARG H H 33 9.455 9.358 0.097 1
1 372 . 8 1 1 A 33 33 ARG HA H 33 4.345 4.278 0.067 1
1 379 . 8 1 1 A 33 33 ARG C C 33 178.092 178.984 -0.892 1
1 380 . 8 1 1 A 33 33 ARG CA C 33 57.590 59.115 -1.525 1
1 381 . 8 1 1 A 33 33 ARG CB C 33 30.400 30.598 -0.198 1
1 384 . 8 1 1 A 33 33 ARG N N 33 124.374 124.873 -0.499 1
1 385 . 8 1 1 A 34 34 GLY H H 34 9.319 8.608 0.711 1
1 386 . 8 1 1 A 34 34 GLY HA2 H 34 3.642 3.757 -0.115 1
1 387 . 8 1 1 A 34 34 GLY HA3 H 34 3.976 3.779 0.197 1
1 388 . 8 1 1 A 34 34 GLY CA C 34 45.636 47.519 -1.883 1
1 389 . 8 1 1 A 34 34 GLY N N 34 114.254 107.429 6.825 1
1 390 . 8 1 1 A 35 35 TRP H H 35 7.725 7.898 -0.173 1
1 391 . 8 1 1 A 35 35 TRP HA H 35 4.785 4.802 -0.017 1
1 400 . 8 1 1 A 35 35 TRP CA C 35 55.641 56.824 -1.183 1
1 401 . 8 1 1 A 35 35 TRP CB C 35 31.352 29.428 1.924 1
1 407 . 8 1 1 A 35 35 TRP N N 35 120.008 122.350 -2.342 1
1 409 . 8 1 1 A 36 36 SER H H 36 8.785 8.266 0.519 1
1 410 . 8 1 1 A 36 36 SER HA H 36 4.587 4.186 0.401 1
1 413 . 8 1 1 A 36 36 SER CA C 36 58.364 59.512 -1.148 1
1 414 . 8 1 1 A 36 36 SER CB C 36 64.741 61.439 3.302 1
1 415 . 8 1 1 A 36 36 SER N N 36 117.243 112.751 4.492 1
1 416 . 8 1 1 A 37 37 SER HA H 37 4.491 4.532 -0.041 1
1 419 . 8 1 1 A 37 37 SER CA C 37 60.248 59.041 1.207 1
1 420 . 8 1 1 A 37 37 SER CB C 37 63.340 61.605 1.735 1
1 421 . 8 1 1 A 38 38 LYS HA H 38 4.155 4.662 -0.507 1
1 430 . 8 1 1 A 38 38 LYS CA C 38 58.001 57.284 0.717 1
1 431 . 8 1 1 A 38 38 LYS CB C 38 32.378 35.688 -3.310 1
1 435 . 8 1 1 A 39 39 HIS H H 39 8.245 7.786 0.459 1
1 436 . 8 1 1 A 39 39 HIS HA H 39 4.460 4.730 -0.270 1
1 441 . 8 1 1 A 39 39 HIS CA C 39 56.031 54.363 1.668 1
1 442 . 8 1 1 A 39 39 HIS CB C 39 30.068 27.940 2.128 1
1 445 . 8 1 1 A 39 39 HIS N N 39 117.908 116.716 1.192 1
1 446 . 8 1 1 A 40 40 ASN H H 40 7.746 8.415 -0.669 1
1 447 . 8 1 1 A 40 40 ASN HA H 40 5.176 4.811 0.365 1
1 452 . 8 1 1 A 40 40 ASN C C 40 176.114 174.823 1.291 1
1 453 . 8 1 1 A 40 40 ASN CA C 40 54.102 53.922 0.180 1
1 454 . 8 1 1 A 40 40 ASN CB C 40 37.123 39.171 -2.048 1
1 455 . 8 1 1 A 40 40 ASN N N 40 121.018 121.858 -0.840 1
1 457 . 8 1 1 A 41 41 SER H H 41 8.492 7.984 0.508 1
1 458 . 8 1 1 A 41 41 SER HA H 41 4.866 5.396 -0.530 1
1 461 . 8 1 1 A 41 41 SER C C 41 172.479 173.015 -0.536 1
1 462 . 8 1 1 A 41 41 SER CA C 41 57.145 56.489 0.656 1
1 463 . 8 1 1 A 41 41 SER CB C 41 66.057 66.571 -0.514 1
1 464 . 8 1 1 A 41 41 SER N N 41 115.675 115.218 0.457 1
1 465 . 8 1 1 A 42 42 TRP H H 42 8.604 9.074 -0.470 1
1 466 . 8 1 1 A 42 42 TRP HA H 42 4.980 5.321 -0.341 1
1 475 . 8 1 1 A 42 42 TRP C C 42 177.025 175.590 1.435 1
1 476 . 8 1 1 A 42 42 TRP CA C 42 56.477 55.822 0.655 1
1 477 . 8 1 1 A 42 42 TRP CB C 42 29.625 30.061 -0.436 1
1 483 . 8 1 1 A 42 42 TRP N N 42 123.109 124.765 -1.656 1
1 485 . 8 1 1 A 43 43 GLU H H 43 9.916 8.730 1.186 1
1 486 . 8 1 1 A 43 43 GLU HA H 43 5.225 4.901 0.324 1
1 491 . 8 1 1 A 43 43 GLU C C 43 174.192 174.157 0.035 1
1 492 . 8 1 1 A 43 43 GLU CA C 43 52.230 53.179 -0.949 1
1 493 . 8 1 1 A 43 43 GLU CB C 43 32.537 30.782 1.755 1
1 495 . 8 1 1 A 43 43 GLU N N 43 125.182 124.866 0.316 1
1 496 . 8 1 1 A 44 44 PRO HA H 44 4.934 4.900 0.034 1
1 503 . 8 1 1 A 44 44 PRO C C 44 177.782 177.863 -0.081 1
1 504 . 8 1 1 A 44 44 PRO CA C 44 62.525 62.565 -0.040 1
1 505 . 8 1 1 A 44 44 PRO CB C 44 32.730 32.790 -0.060 1
1 508 . 8 1 1 A 45 45 GLU H H 45 8.637 8.850 -0.213 1
1 509 . 8 1 1 A 45 45 GLU HA H 45 3.965 4.164 -0.199 1
1 514 . 8 1 1 A 45 45 GLU C C 45 177.990 178.578 -0.588 1
1 515 . 8 1 1 A 45 45 GLU CA C 45 60.293 59.740 0.553 1
1 516 . 8 1 1 A 45 45 GLU CB C 45 30.235 29.705 0.530 1
1 518 . 8 1 1 A 45 45 GLU N N 45 120.441 123.326 -2.885 1
1 519 . 8 1 1 A 46 46 GLU H H 46 9.698 8.948 0.750 1
1 520 . 8 1 1 A 46 46 GLU HA H 46 4.243 4.149 0.094 1
1 525 . 8 1 1 A 46 46 GLU C C 46 176.547 177.923 -1.376 1
1 526 . 8 1 1 A 46 46 GLU CA C 46 58.693 58.660 0.033 1
1 527 . 8 1 1 A 46 46 GLU CB C 46 28.448 27.880 0.568 1
1 529 . 8 1 1 A 46 46 GLU N N 46 117.193 117.033 0.160 1
1 530 . 8 1 1 A 47 47 ASN H H 47 8.119 8.303 -0.184 1
1 531 . 8 1 1 A 47 47 ASN HA H 47 4.922 4.742 0.180 1
1 536 . 8 1 1 A 47 47 ASN C C 47 175.293 175.835 -0.542 1
1 537 . 8 1 1 A 47 47 ASN CA C 47 52.430 54.597 -2.167 1
1 538 . 8 1 1 A 47 47 ASN CB C 47 38.439 39.437 -0.998 1
1 539 . 8 1 1 A 47 47 ASN N N 47 118.023 116.660 1.363 1
1 541 . 8 1 1 A 48 48 ILE H H 48 7.695 7.455 0.240 1
1 542 . 8 1 1 A 48 48 ILE HA H 48 4.075 4.291 -0.216 1
1 552 . 8 1 1 A 48 48 ILE C C 48 175.029 175.580 -0.551 1
1 553 . 8 1 1 A 48 48 ILE CA C 48 59.749 61.631 -1.882 1
1 554 . 8 1 1 A 48 48 ILE CB C 48 35.109 36.911 -1.802 1
1 558 . 8 1 1 A 48 48 ILE N N 48 121.906 120.126 1.780 1
1 559 . 8 1 1 A 49 49 LEU H H 49 8.137 8.455 -0.318 1
1 560 . 8 1 1 A 49 49 LEU HA H 49 4.286 4.347 -0.061 1
1 570 . 8 1 1 A 49 49 LEU C C 49 176.808 176.978 -0.170 1
1 571 . 8 1 1 A 49 49 LEU CA C 49 55.748 56.608 -0.860 1
1 572 . 8 1 1 A 49 49 LEU CB C 49 42.088 42.913 -0.825 1
1 576 . 8 1 1 A 49 49 LEU N N 49 125.062 129.408 -4.346 1
1 577 . 8 1 1 A 50 50 ASP H H 50 7.284 7.843 -0.559 1
1 578 . 8 1 1 A 50 50 ASP HA H 50 5.077 4.811 0.266 1
1 581 . 8 1 1 A 50 50 ASP C C 50 174.968 176.078 -1.110 1
1 582 . 8 1 1 A 50 50 ASP CA C 50 50.443 51.946 -1.503 1
1 583 . 8 1 1 A 50 50 ASP CB C 50 41.822 40.782 1.040 1
1 584 . 8 1 1 A 50 50 ASP N N 50 118.019 118.402 -0.383 1
1 585 . 8 1 1 A 51 51 PRO HA H 51 4.258 4.264 -0.006 1
1 592 . 8 1 1 A 51 51 PRO C C 51 179.037 178.692 0.345 1
1 593 . 8 1 1 A 51 51 PRO CA C 51 64.372 64.925 -0.553 1
1 594 . 8 1 1 A 51 51 PRO CB C 51 32.382 32.066 0.316 1
1 597 . 8 1 1 A 52 52 ARG H H 52 8.253 8.533 -0.280 1
1 598 . 8 1 1 A 52 52 ARG HA H 52 3.995 4.060 -0.065 1
1 605 . 8 1 1 A 52 52 ARG C C 52 179.774 178.806 0.968 1
1 606 . 8 1 1 A 52 52 ARG CA C 52 59.255 59.093 0.162 1
1 607 . 8 1 1 A 52 52 ARG CB C 52 29.608 29.946 -0.338 1
1 610 . 8 1 1 A 52 52 ARG N N 52 117.657 118.455 -0.798 1
1 611 . 8 1 1 A 53 53 LEU H H 53 7.576 7.907 -0.331 1
1 612 . 8 1 1 A 53 53 LEU HA H 53 4.043 3.923 0.120 1
1 622 . 8 1 1 A 53 53 LEU C C 53 180.197 178.902 1.295 1
1 623 . 8 1 1 A 53 53 LEU CA C 53 57.620 57.812 -0.192 1
1 624 . 8 1 1 A 53 53 LEU CB C 53 42.080 41.561 0.519 1
1 628 . 8 1 1 A 53 53 LEU N N 53 118.887 119.808 -0.921 1
1 629 . 8 1 1 A 54 54 LEU H H 54 7.185 8.118 -0.933 1
1 630 . 8 1 1 A 54 54 LEU HA H 54 3.966 3.662 0.304 1
1 640 . 8 1 1 A 54 54 LEU C C 54 178.631 179.315 -0.684 1
1 641 . 8 1 1 A 54 54 LEU CA C 54 57.549 58.019 -0.470 1
1 642 . 8 1 1 A 54 54 LEU CB C 54 41.646 41.634 0.012 1
1 646 . 8 1 1 A 54 54 LEU N N 54 119.814 117.663 2.151 1
1 647 . 8 1 1 A 55 55 LEU H H 55 7.791 8.278 -0.487 1
1 648 . 8 1 1 A 55 55 LEU HA H 55 4.132 3.852 0.280 1
1 658 . 8 1 1 A 55 55 LEU C C 55 179.501 178.585 0.916 1
1 659 . 8 1 1 A 55 55 LEU CA C 55 58.007 58.200 -0.193 1
1 660 . 8 1 1 A 55 55 LEU CB C 55 41.523 41.559 -0.036 1
1 664 . 8 1 1 A 55 55 LEU N N 55 120.290 118.635 1.655 1
1 665 . 8 1 1 A 56 56 ALA H H 56 7.771 8.089 -0.318 1
1 666 . 8 1 1 A 56 56 ALA HA H 56 4.145 4.073 0.072 1
1 670 . 8 1 1 A 56 56 ALA C C 56 180.157 179.993 0.164 1
1 671 . 8 1 1 A 56 56 ALA CA C 56 54.963 55.056 -0.093 1
1 672 . 8 1 1 A 56 56 ALA CB C 56 18.232 18.539 -0.307 1
1 673 . 8 1 1 A 56 56 ALA N N 56 119.874 119.820 0.054 1
1 674 . 8 1 1 A 57 57 PHE H H 57 7.526 7.556 -0.030 1
1 675 . 8 1 1 A 57 57 PHE HA H 57 4.451 4.146 0.305 1
1 683 . 8 1 1 A 57 57 PHE C C 57 176.838 177.586 -0.748 1
1 684 . 8 1 1 A 57 57 PHE CA C 57 60.822 61.483 -0.661 1
1 685 . 8 1 1 A 57 57 PHE CB C 57 39.878 39.254 0.624 1
1 691 . 8 1 1 A 57 57 PHE N N 57 119.210 119.201 0.009 1
1 692 . 8 1 1 A 58 58 GLN H H 58 8.415 8.708 -0.293 1
1 693 . 8 1 1 A 58 58 GLN HA H 58 3.874 3.943 -0.069 1
1 700 . 8 1 1 A 58 58 GLN C C 58 178.639 178.089 0.550 1
1 701 . 8 1 1 A 58 58 GLN CA C 58 58.499 59.148 -0.649 1
1 702 . 8 1 1 A 58 58 GLN CB C 58 28.325 28.296 0.029 1
1 704 . 8 1 1 A 58 58 GLN N N 58 118.702 117.847 0.855 1
1 706 . 8 1 1 A 59 59 LYS H H 59 7.918 7.894 0.024 1
1 707 . 8 1 1 A 59 59 LYS HA H 59 4.121 4.012 0.109 1
1 716 . 8 1 1 A 59 59 LYS C C 59 178.269 178.919 -0.650 1
1 717 . 8 1 1 A 59 59 LYS CA C 59 58.921 59.575 -0.654 1
1 718 . 8 1 1 A 59 59 LYS CB C 59 32.437 32.312 0.125 1
1 722 . 8 1 1 A 59 59 LYS N N 59 119.131 120.782 -1.651 1
1 723 . 8 1 1 A 60 60 LYS H H 60 7.595 7.661 -0.066 1
1 724 . 8 1 1 A 60 60 LYS HA H 60 4.133 3.994 0.139 1
1 733 . 8 1 1 A 60 60 LYS C C 60 178.836 179.562 -0.726 1
1 734 . 8 1 1 A 60 60 LYS CA C 60 58.323 59.793 -1.470 1
1 735 . 8 1 1 A 60 60 LYS CB C 60 32.150 32.153 -0.003 1
1 739 . 8 1 1 A 60 60 LYS N N 60 120.016 118.608 1.408 1
1 740 . 8 1 1 A 61 61 GLU H H 61 8.095 8.230 -0.135 1
1 741 . 8 1 1 A 61 61 GLU HA H 61 3.936 3.775 0.161 1
1 746 . 8 1 1 A 61 61 GLU C C 61 178.233 178.898 -0.665 1
1 747 . 8 1 1 A 61 61 GLU CA C 61 58.605 59.261 -0.656 1
1 748 . 8 1 1 A 61 61 GLU CB C 61 29.806 29.345 0.461 1
1 750 . 8 1 1 A 61 61 GLU N N 61 119.560 119.654 -0.094 1
1 751 . 8 1 1 A 62 62 HIS H H 62 8.037 8.095 -0.058 1
1 752 . 8 1 1 A 62 62 HIS HA H 62 4.517 4.064 0.453 1
1 757 . 8 1 1 A 62 62 HIS C C 62 176.449 176.604 -0.155 1
1 758 . 8 1 1 A 62 62 HIS CA C 62 57.740 59.802 -2.062 1
1 759 . 8 1 1 A 62 62 HIS CB C 62 29.928 29.696 0.232 1
1 762 . 8 1 1 A 62 62 HIS N N 62 118.437 119.579 -1.142 1
1 763 . 8 1 1 A 63 63 GLU H H 63 8.010 8.579 -0.569 1
1 764 . 8 1 1 A 63 63 GLU HA H 63 4.096 3.944 0.152 1
1 769 . 8 1 1 A 63 63 GLU C C 63 177.485 179.284 -1.799 1
1 770 . 8 1 1 A 63 63 GLU CA C 63 57.954 59.982 -2.028 1
1 771 . 8 1 1 A 63 63 GLU CB C 63 29.783 29.173 0.610 1
1 773 . 8 1 1 A 63 63 GLU N N 63 119.622 117.429 2.193 1
1 774 . 8 1 1 A 64 64 LYS H H 64 7.874 8.023 -0.149 1
1 775 . 8 1 1 A 64 64 LYS HA H 64 4.213 3.998 0.215 1
1 784 . 8 1 1 A 64 64 LYS C C 64 177.341 177.646 -0.305 1
1 785 . 8 1 1 A 64 64 LYS CA C 64 57.479 59.749 -2.270 1
1 786 . 8 1 1 A 64 64 LYS CB C 64 32.684 32.335 0.349 1
1 790 . 8 1 1 A 64 64 LYS N N 64 119.617 120.176 -0.559 1
1 791 . 8 1 1 A 65 65 GLU H H 65 8.044 7.602 0.442 1
1 792 . 8 1 1 A 65 65 GLU HA H 65 4.236 4.521 -0.285 1
1 797 . 8 1 1 A 65 65 GLU C C 65 177.451 175.445 2.006 1
1 798 . 8 1 1 A 65 65 GLU CA C 65 57.426 55.563 1.863 1
1 799 . 8 1 1 A 65 65 GLU CB C 65 29.971 31.105 -1.134 1
1 801 . 8 1 1 A 65 65 GLU N N 65 120.606 116.872 3.734 1
1 802 . 8 1 1 A 66 66 VAL H H 66 8.028 8.566 -0.538 1
1 803 . 8 1 1 A 66 66 VAL HA H 66 4.035 4.883 -0.848 1
1 811 . 8 1 1 A 66 66 VAL C C 66 176.848 173.917 2.931 1
1 812 . 8 1 1 A 66 66 VAL CA C 66 63.160 60.555 2.605 1
1 813 . 8 1 1 A 66 66 VAL CB C 66 32.396 34.031 -1.635 1
1 816 . 8 1 1 A 66 66 VAL N N 66 119.834 118.948 0.886 1
1 817 . 8 1 1 A 67 67 GLN H H 67 8.265 8.878 -0.613 1
1 818 . 8 1 1 A 67 67 GLN HA H 67 4.313 4.969 -0.656 1
1 825 . 8 1 1 A 67 67 GLN C C 67 176.073 174.961 1.112 1
1 826 . 8 1 1 A 67 67 GLN CA C 67 56.283 53.853 2.430 1
1 827 . 8 1 1 A 67 67 GLN CB C 67 29.216 32.282 -3.066 1
1 829 . 8 1 1 A 67 67 GLN N N 67 122.698 125.845 -3.147 1
1 831 . 8 1 1 A 68 68 ASN H H 68 8.391 8.645 -0.254 1
1 832 . 8 1 1 A 68 68 ASN HA H 68 4.782 4.761 0.021 1
1 837 . 8 1 1 A 68 68 ASN C C 68 175.242 175.375 -0.133 1
1 838 . 8 1 1 A 68 68 ASN CA C 68 53.487 52.753 0.734 1
1 839 . 8 1 1 A 68 68 ASN CB C 68 39.138 36.873 2.265 1
1 840 . 8 1 1 A 68 68 ASN N N 68 119.609 123.231 -3.622 1
1 842 . 8 1 1 A 69 69 SER H H 69 8.272 8.655 -0.383 1
1 843 . 8 1 1 A 69 69 SER HA H 69 4.501 4.384 0.117 1
1 846 . 8 1 1 A 69 69 SER C C 69 174.630 175.370 -0.740 1
1 847 . 8 1 1 A 69 69 SER CA C 69 58.587 59.071 -0.484 1
1 848 . 8 1 1 A 69 69 SER CB C 69 64.174 63.430 0.744 1
1 849 . 8 1 1 A 69 69 SER N N 69 116.106 119.904 -3.798 1
1 850 . 8 1 1 A 70 70 GLY H H 70 8.251 8.418 -0.167 1
1 851 . 8 1 1 A 70 70 GLY HA2 H 70 4.175 4.155 0.020 1
1 852 . 8 1 1 A 70 70 GLY HA3 H 70 4.144 4.157 -0.013 1
1 853 . 8 1 1 A 70 70 GLY C C 70 171.843 174.732 -2.889 1
1 854 . 8 1 1 A 70 70 GLY CA C 70 44.709 44.030 0.679 1
1 855 . 8 1 1 A 70 70 GLY N N 70 110.658 110.561 0.097 1
1 856 . 8 1 1 A 71 71 PRO HA H 71 4.501 4.400 0.101 1
1 863 . 8 1 1 A 71 71 PRO C C 71 177.457 176.164 1.293 1
1 864 . 8 1 1 A 71 71 PRO CA C 71 63.300 64.419 -1.119 1
1 865 . 8 1 1 A 71 71 PRO CB C 71 32.008 32.160 -0.152 1
1 868 . 8 1 1 A 72 72 SER H H 72 8.536 7.756 0.780 1
1 869 . 8 1 1 A 72 72 SER CA C 72 58.429 56.428 2.001 1
1 1 . 9 1 1 A 6 6 SER HA H 6 4.501 5.106 -0.605 1
1 4 . 9 1 1 A 6 6 SER C C 6 175.089 174.184 0.905 1
1 5 . 9 1 1 A 6 6 SER CA C 6 58.675 57.715 0.960 1
1 6 . 9 1 1 A 6 6 SER CB C 6 63.909 63.767 0.142 1
1 7 . 9 1 1 A 7 7 GLY H H 7 8.374 8.383 -0.009 1
1 8 . 9 1 1 A 7 7 GLY HA2 H 7 3.966 4.375 -0.409 1
1 9 . 9 1 1 A 7 7 GLY HA3 H 7 3.966 4.402 -0.436 1
1 10 . 9 1 1 A 7 7 GLY C C 7 174.147 173.380 0.767 1
1 11 . 9 1 1 A 7 7 GLY CA C 7 45.359 46.130 -0.771 1
1 12 . 9 1 1 A 7 7 GLY N N 7 110.638 111.804 -1.166 1
1 13 . 9 1 1 A 8 8 GLU H H 8 8.255 8.646 -0.391 1
1 14 . 9 1 1 A 8 8 GLU HA H 8 4.273 4.575 -0.302 1
1 19 . 9 1 1 A 8 8 GLU C C 8 176.471 176.368 0.103 1
1 20 . 9 1 1 A 8 8 GLU CA C 8 56.582 57.296 -0.714 1
1 21 . 9 1 1 A 8 8 GLU CB C 8 30.299 32.454 -2.155 1
1 23 . 9 1 1 A 8 8 GLU N N 8 120.542 118.527 2.015 1
1 24 . 9 1 1 A 9 9 GLN H H 9 8.397 7.823 0.574 1
1 25 . 9 1 1 A 9 9 GLN HA H 9 4.332 4.245 0.087 1
1 32 . 9 1 1 A 9 9 GLN C C 9 175.365 174.946 0.419 1
1 33 . 9 1 1 A 9 9 GLN CA C 9 55.668 54.265 1.403 1
1 34 . 9 1 1 A 9 9 GLN CB C 9 29.560 27.676 1.884 1
1 36 . 9 1 1 A 9 9 GLN N N 9 121.410 118.098 3.312 1
1 38 . 9 1 1 A 10 10 VAL H H 10 8.104 7.818 0.286 1
1 39 . 9 1 1 A 10 10 VAL HA H 10 4.054 3.718 0.336 1
1 47 . 9 1 1 A 10 10 VAL C C 10 175.736 174.718 1.018 1
1 48 . 9 1 1 A 10 10 VAL CA C 10 62.334 63.179 -0.845 1
1 49 . 9 1 1 A 10 10 VAL CB C 10 33.136 30.013 3.123 1
1 52 . 9 1 1 A 10 10 VAL N N 10 121.590 114.651 6.939 1
1 53 . 9 1 1 A 11 11 PHE H H 11 8.491 7.798 0.693 1
1 54 . 9 1 1 A 11 11 PHE HA H 11 4.696 4.159 0.537 1
1 62 . 9 1 1 A 11 11 PHE C C 11 174.477 175.960 -1.483 1
1 63 . 9 1 1 A 11 11 PHE CA C 11 57.444 58.961 -1.517 1
1 64 . 9 1 1 A 11 11 PHE CB C 11 39.467 39.142 0.325 1
1 70 . 9 1 1 A 11 11 PHE N N 11 125.302 121.070 4.232 1
1 71 . 9 1 1 A 12 12 ALA H H 12 9.203 8.947 0.256 1
1 72 . 9 1 1 A 12 12 ALA HA H 12 4.866 5.023 -0.157 1
1 76 . 9 1 1 A 12 12 ALA C C 12 176.813 176.042 0.771 1
1 77 . 9 1 1 A 12 12 ALA CA C 12 51.252 50.915 0.337 1
1 78 . 9 1 1 A 12 12 ALA CB C 12 20.719 20.209 0.510 1
1 79 . 9 1 1 A 12 12 ALA N N 12 127.219 128.248 -1.029 1
1 80 . 9 1 1 A 13 13 ALA H H 13 8.891 9.038 -0.147 1
1 81 . 9 1 1 A 13 13 ALA HA H 13 3.874 3.999 -0.125 1
1 85 . 9 1 1 A 13 13 ALA C C 13 176.194 177.169 -0.975 1
1 86 . 9 1 1 A 13 13 ALA CA C 13 53.380 51.711 1.669 1
1 87 . 9 1 1 A 13 13 ALA CB C 13 19.448 18.420 1.028 1
1 88 . 9 1 1 A 13 13 ALA N N 13 126.618 128.328 -1.710 1
1 89 . 9 1 1 A 14 14 GLU H H 14 9.604 8.806 0.798 1
1 90 . 9 1 1 A 14 14 GLU HA H 14 4.336 4.081 0.255 1
1 95 . 9 1 1 A 14 14 GLU C C 14 176.093 176.029 0.064 1
1 96 . 9 1 1 A 14 14 GLU CA C 14 57.356 58.879 -1.523 1
1 97 . 9 1 1 A 14 14 GLU CB C 14 32.273 30.542 1.731 1
1 99 . 9 1 1 A 14 14 GLU N N 14 123.285 124.819 -1.534 1
1 100 . 9 1 1 A 15 15 CYS H H 15 7.655 7.459 0.196 1
1 101 . 9 1 1 A 15 15 CYS HA H 15 4.527 4.589 -0.062 1
1 104 . 9 1 1 A 15 15 CYS C C 15 171.003 172.913 -1.910 1
1 105 . 9 1 1 A 15 15 CYS CA C 15 56.674 58.436 -1.762 1
1 106 . 9 1 1 A 15 15 CYS CB C 15 29.765 30.768 -1.003 1
1 107 . 9 1 1 A 15 15 CYS N N 15 110.806 116.206 -5.400 1
1 108 . 9 1 1 A 16 16 ILE H H 16 8.316 8.659 -0.343 1
1 109 . 9 1 1 A 16 16 ILE HA H 16 4.344 3.844 0.500 1
1 119 . 9 1 1 A 16 16 ILE C C 16 175.432 175.439 -0.007 1
1 120 . 9 1 1 A 16 16 ILE CA C 16 60.047 61.774 -1.727 1
1 121 . 9 1 1 A 16 16 ILE CB C 16 39.308 37.269 2.039 1
1 125 . 9 1 1 A 16 16 ILE N N 16 121.665 125.521 -3.856 1
1 126 . 9 1 1 A 17 17 LEU H H 17 9.207 9.154 0.053 1
1 127 . 9 1 1 A 17 17 LEU HA H 17 4.425 4.330 0.095 1
1 137 . 9 1 1 A 17 17 LEU C C 17 177.573 176.475 1.098 1
1 138 . 9 1 1 A 17 17 LEU CA C 17 55.825 55.975 -0.150 1
1 139 . 9 1 1 A 17 17 LEU CB C 17 44.400 42.464 1.936 1
1 143 . 9 1 1 A 17 17 LEU N N 17 124.728 129.615 -4.887 1
1 144 . 9 1 1 A 18 18 SER H H 18 7.082 7.480 -0.398 1
1 145 . 9 1 1 A 18 18 SER HA H 18 4.778 4.768 0.010 1
1 148 . 9 1 1 A 18 18 SER C C 18 171.685 172.333 -0.648 1
1 149 . 9 1 1 A 18 18 SER CA C 18 57.075 56.694 0.381 1
1 150 . 9 1 1 A 18 18 SER CB C 18 64.550 65.828 -1.278 1
1 151 . 9 1 1 A 18 18 SER N N 18 110.441 109.787 0.654 1
1 152 . 9 1 1 A 19 19 LYS H H 19 8.745 9.132 -0.387 1
1 153 . 9 1 1 A 19 19 LYS HA H 19 5.836 5.697 0.139 1
1 162 . 9 1 1 A 19 19 LYS C C 19 174.068 174.667 -0.599 1
1 163 . 9 1 1 A 19 19 LYS CA C 19 54.770 54.506 0.264 1
1 164 . 9 1 1 A 19 19 LYS CB C 19 37.493 36.875 0.618 1
1 168 . 9 1 1 A 19 19 LYS N N 19 120.354 119.890 0.464 1
1 169 . 9 1 1 A 20 20 ARG H H 20 9.264 9.231 0.033 1
1 170 . 9 1 1 A 20 20 ARG HA H 20 4.703 5.053 -0.350 1
1 178 . 9 1 1 A 20 20 ARG C C 20 171.618 173.863 -2.245 1
1 179 . 9 1 1 A 20 20 ARG CA C 20 54.471 54.234 0.237 1
1 180 . 9 1 1 A 20 20 ARG CB C 20 32.578 34.337 -1.759 1
1 183 . 9 1 1 A 20 20 ARG N N 20 119.809 119.511 0.298 1
1 185 . 9 1 1 A 21 21 LEU H H 21 8.286 8.732 -0.446 1
1 186 . 9 1 1 A 21 21 LEU HA H 21 4.927 5.101 -0.174 1
1 196 . 9 1 1 A 21 21 LEU C C 21 176.880 174.178 2.702 1
1 197 . 9 1 1 A 21 21 LEU CA C 21 53.433 53.972 -0.539 1
1 198 . 9 1 1 A 21 21 LEU CB C 21 43.905 45.662 -1.757 1
1 202 . 9 1 1 A 21 21 LEU N N 21 121.552 121.871 -0.319 1
1 203 . 9 1 1 A 22 22 ARG H H 22 9.146 8.659 0.487 1
1 204 . 9 1 1 A 22 22 ARG HA H 22 4.434 4.695 -0.261 1
1 211 . 9 1 1 A 22 22 ARG C C 22 175.379 176.348 -0.969 1
1 212 . 9 1 1 A 22 22 ARG CA C 22 55.468 54.091 1.377 1
1 213 . 9 1 1 A 22 22 ARG CB C 22 33.049 33.528 -0.479 1
1 216 . 9 1 1 A 22 22 ARG N N 22 126.472 125.032 1.440 1
1 217 . 9 1 1 A 23 23 LYS H H 23 9.505 9.355 0.150 1
1 218 . 9 1 1 A 23 23 LYS HA H 23 3.839 3.900 -0.061 1
1 227 . 9 1 1 A 23 23 LYS C C 23 176.521 175.776 0.745 1
1 228 . 9 1 1 A 23 23 LYS CA C 23 57.127 57.186 -0.059 1
1 229 . 9 1 1 A 23 23 LYS CB C 23 29.988 31.261 -1.273 1
1 233 . 9 1 1 A 24 24 GLY H H 24 8.438 8.628 -0.190 1
1 234 . 9 1 1 A 24 24 GLY HA2 H 24 4.124 3.883 0.241 1
1 235 . 9 1 1 A 24 24 GLY HA3 H 24 3.517 3.887 -0.370 1
1 236 . 9 1 1 A 24 24 GLY C C 24 173.338 173.900 -0.562 1
1 237 . 9 1 1 A 24 24 GLY CA C 24 45.481 45.923 -0.442 1
1 238 . 9 1 1 A 24 24 GLY N N 24 103.048 105.031 -1.983 1
1 239 . 9 1 1 A 25 25 LYS H H 25 7.785 8.171 -0.386 1
1 240 . 9 1 1 A 25 25 LYS HA H 25 4.635 4.551 0.084 1
1 249 . 9 1 1 A 25 25 LYS C C 25 174.733 175.099 -0.366 1
1 250 . 9 1 1 A 25 25 LYS CA C 25 54.365 54.972 -0.607 1
1 251 . 9 1 1 A 25 25 LYS CB C 25 34.616 34.638 -0.022 1
1 255 . 9 1 1 A 25 25 LYS N N 25 121.463 119.698 1.765 1
1 256 . 9 1 1 A 26 26 LEU H H 26 8.555 8.648 -0.093 1
1 257 . 9 1 1 A 26 26 LEU HA H 26 4.763 4.667 0.096 1
1 267 . 9 1 1 A 26 26 LEU C C 26 176.596 174.675 1.921 1
1 268 . 9 1 1 A 26 26 LEU CA C 26 54.999 54.779 0.220 1
1 269 . 9 1 1 A 26 26 LEU CB C 26 43.167 42.691 0.476 1
1 273 . 9 1 1 A 26 26 LEU N N 26 124.731 128.066 -3.335 1
1 274 . 9 1 1 A 27 27 GLU H H 27 8.944 9.140 -0.196 1
1 275 . 9 1 1 A 27 27 GLU HA H 27 4.923 4.940 -0.017 1
1 280 . 9 1 1 A 27 27 GLU C C 27 174.422 174.700 -0.278 1
1 281 . 9 1 1 A 27 27 GLU CA C 27 53.874 54.545 -0.671 1
1 282 . 9 1 1 A 27 27 GLU CB C 27 35.191 32.889 2.302 1
1 284 . 9 1 1 A 27 27 GLU N N 27 122.189 125.665 -3.476 1
1 285 . 9 1 1 A 28 28 TYR H H 28 9.423 9.471 -0.048 1
1 286 . 9 1 1 A 28 28 TYR HA H 28 5.265 5.071 0.194 1
1 293 . 9 1 1 A 28 28 TYR C C 28 174.020 174.420 -0.400 1
1 294 . 9 1 1 A 28 28 TYR CA C 28 56.511 56.630 -0.119 1
1 295 . 9 1 1 A 28 28 TYR CB C 28 41.646 41.415 0.231 1
1 300 . 9 1 1 A 28 28 TYR N N 28 118.361 121.566 -3.205 1
1 301 . 9 1 1 A 29 29 LEU H H 29 7.779 8.595 -0.816 1
1 302 . 9 1 1 A 29 29 LEU HA H 29 3.634 3.504 0.130 1
1 312 . 9 1 1 A 29 29 LEU C C 29 173.992 174.340 -0.348 1
1 313 . 9 1 1 A 29 29 LEU CA C 29 53.680 53.863 -0.183 1
1 314 . 9 1 1 A 29 29 LEU CB C 29 40.115 41.370 -1.255 1
1 318 . 9 1 1 A 29 29 LEU N N 29 127.541 126.354 1.187 1
1 319 . 9 1 1 A 30 30 VAL H H 30 8.936 8.050 0.886 1
1 320 . 9 1 1 A 30 30 VAL HA H 30 3.915 3.863 0.052 1
1 328 . 9 1 1 A 30 30 VAL C C 30 173.840 174.425 -0.585 1
1 329 . 9 1 1 A 30 30 VAL CA C 30 62.106 61.733 0.373 1
1 330 . 9 1 1 A 30 30 VAL CB C 30 34.458 31.823 2.635 1
1 333 . 9 1 1 A 30 30 VAL N N 30 130.095 127.565 2.530 1
1 334 . 9 1 1 A 31 31 LYS H H 31 7.596 7.822 -0.226 1
1 335 . 9 1 1 A 31 31 LYS HA H 31 4.525 4.489 0.036 1
1 344 . 9 1 1 A 31 31 LYS C C 31 175.379 174.385 0.994 1
1 345 . 9 1 1 A 31 31 LYS CA C 31 53.574 54.447 -0.873 1
1 346 . 9 1 1 A 31 31 LYS CB C 31 34.848 34.579 0.269 1
1 350 . 9 1 1 A 31 31 LYS N N 31 123.992 126.232 -2.240 1
1 351 . 9 1 1 A 32 32 TRP H H 32 9.368 8.571 0.797 1
1 352 . 9 1 1 A 32 32 TRP HA H 32 4.816 5.144 -0.328 1
1 361 . 9 1 1 A 32 32 TRP C C 32 176.830 176.322 0.508 1
1 362 . 9 1 1 A 32 32 TRP CA C 32 56.002 56.377 -0.375 1
1 363 . 9 1 1 A 32 32 TRP CB C 32 31.163 31.348 -0.185 1
1 369 . 9 1 1 A 32 32 TRP N N 32 131.754 128.306 3.448 1
1 371 . 9 1 1 A 33 33 ARG H H 33 9.455 8.950 0.505 1
1 372 . 9 1 1 A 33 33 ARG HA H 33 4.345 3.856 0.489 1
1 379 . 9 1 1 A 33 33 ARG C C 33 178.092 177.303 0.789 1
1 380 . 9 1 1 A 33 33 ARG CA C 33 57.590 58.314 -0.724 1
1 381 . 9 1 1 A 33 33 ARG CB C 33 30.400 30.067 0.333 1
1 384 . 9 1 1 A 33 33 ARG N N 33 124.374 124.452 -0.078 1
1 385 . 9 1 1 A 34 34 GLY H H 34 9.319 8.995 0.324 1
1 386 . 9 1 1 A 34 34 GLY HA2 H 34 3.642 3.835 -0.193 1
1 387 . 9 1 1 A 34 34 GLY HA3 H 34 3.976 3.901 0.075 1
1 388 . 9 1 1 A 34 34 GLY CA C 34 45.636 45.269 0.367 1
1 389 . 9 1 1 A 34 34 GLY N N 34 114.254 112.018 2.236 1
1 390 . 9 1 1 A 35 35 TRP H H 35 7.725 7.884 -0.159 1
1 391 . 9 1 1 A 35 35 TRP HA H 35 4.785 4.603 0.182 1
1 400 . 9 1 1 A 35 35 TRP CA C 35 55.641 57.454 -1.813 1
1 401 . 9 1 1 A 35 35 TRP CB C 35 31.352 30.010 1.342 1
1 407 . 9 1 1 A 35 35 TRP N N 35 120.008 121.499 -1.491 1
1 409 . 9 1 1 A 36 36 SER H H 36 8.785 8.839 -0.054 1
1 410 . 9 1 1 A 36 36 SER HA H 36 4.587 4.763 -0.176 1
1 413 . 9 1 1 A 36 36 SER CA C 36 58.364 56.520 1.844 1
1 414 . 9 1 1 A 36 36 SER CB C 36 64.741 65.602 -0.861 1
1 415 . 9 1 1 A 36 36 SER N N 36 117.243 116.564 0.679 1
1 416 . 9 1 1 A 37 37 SER HA H 37 4.491 4.150 0.341 1
1 419 . 9 1 1 A 37 37 SER CA C 37 60.248 62.300 -2.052 1
1 420 . 9 1 1 A 37 37 SER CB C 37 63.340 62.875 0.465 1
1 421 . 9 1 1 A 38 38 LYS HA H 38 4.155 4.029 0.126 1
1 430 . 9 1 1 A 38 38 LYS CA C 38 58.001 59.446 -1.445 1
1 431 . 9 1 1 A 38 38 LYS CB C 38 32.378 32.411 -0.033 1
1 435 . 9 1 1 A 39 39 HIS H H 39 8.245 8.353 -0.108 1
1 436 . 9 1 1 A 39 39 HIS HA H 39 4.460 4.444 0.016 1
1 441 . 9 1 1 A 39 39 HIS CA C 39 56.031 59.225 -3.194 1
1 442 . 9 1 1 A 39 39 HIS CB C 39 30.068 29.900 0.168 1
1 445 . 9 1 1 A 39 39 HIS N N 39 117.908 117.969 -0.061 1
1 446 . 9 1 1 A 40 40 ASN H H 40 7.746 8.254 -0.508 1
1 447 . 9 1 1 A 40 40 ASN HA H 40 5.176 4.722 0.454 1
1 452 . 9 1 1 A 40 40 ASN C C 40 176.114 174.519 1.595 1
1 453 . 9 1 1 A 40 40 ASN CA C 40 54.102 54.244 -0.142 1
1 454 . 9 1 1 A 40 40 ASN CB C 40 37.123 38.800 -1.677 1
1 455 . 9 1 1 A 40 40 ASN N N 40 121.018 117.955 3.063 1
1 457 . 9 1 1 A 41 41 SER H H 41 8.492 8.797 -0.305 1
1 458 . 9 1 1 A 41 41 SER HA H 41 4.866 5.334 -0.468 1
1 461 . 9 1 1 A 41 41 SER C C 41 172.479 172.711 -0.232 1
1 462 . 9 1 1 A 41 41 SER CA C 41 57.145 56.106 1.039 1
1 463 . 9 1 1 A 41 41 SER CB C 41 66.057 66.421 -0.364 1
1 464 . 9 1 1 A 41 41 SER N N 41 115.675 116.550 -0.875 1
1 465 . 9 1 1 A 42 42 TRP H H 42 8.604 9.041 -0.437 1
1 466 . 9 1 1 A 42 42 TRP HA H 42 4.980 5.293 -0.313 1
1 475 . 9 1 1 A 42 42 TRP C C 42 177.025 175.986 1.039 1
1 476 . 9 1 1 A 42 42 TRP CA C 42 56.477 56.018 0.459 1
1 477 . 9 1 1 A 42 42 TRP CB C 42 29.625 30.406 -0.781 1
1 483 . 9 1 1 A 42 42 TRP N N 42 123.109 125.727 -2.618 1
1 485 . 9 1 1 A 43 43 GLU H H 43 9.916 8.736 1.180 1
1 486 . 9 1 1 A 43 43 GLU HA H 43 5.225 4.882 0.343 1
1 491 . 9 1 1 A 43 43 GLU C C 43 174.192 174.096 0.096 1
1 492 . 9 1 1 A 43 43 GLU CA C 43 52.230 53.140 -0.910 1
1 493 . 9 1 1 A 43 43 GLU CB C 43 32.537 30.796 1.741 1
1 495 . 9 1 1 A 43 43 GLU N N 43 125.182 124.503 0.679 1
1 496 . 9 1 1 A 44 44 PRO HA H 44 4.934 4.945 -0.011 1
1 503 . 9 1 1 A 44 44 PRO C C 44 177.782 177.867 -0.085 1
1 504 . 9 1 1 A 44 44 PRO CA C 44 62.525 62.624 -0.099 1
1 505 . 9 1 1 A 44 44 PRO CB C 44 32.730 32.821 -0.091 1
1 508 . 9 1 1 A 45 45 GLU H H 45 8.637 9.128 -0.491 1
1 509 . 9 1 1 A 45 45 GLU HA H 45 3.965 4.145 -0.180 1
1 514 . 9 1 1 A 45 45 GLU C C 45 177.990 178.535 -0.545 1
1 515 . 9 1 1 A 45 45 GLU CA C 45 60.293 59.718 0.575 1
1 516 . 9 1 1 A 45 45 GLU CB C 45 30.235 29.808 0.427 1
1 518 . 9 1 1 A 45 45 GLU N N 45 120.441 123.715 -3.274 1
1 519 . 9 1 1 A 46 46 GLU H H 46 9.698 8.654 1.044 1
1 520 . 9 1 1 A 46 46 GLU HA H 46 4.243 4.101 0.142 1
1 525 . 9 1 1 A 46 46 GLU C C 46 176.547 178.183 -1.636 1
1 526 . 9 1 1 A 46 46 GLU CA C 46 58.693 59.072 -0.379 1
1 527 . 9 1 1 A 46 46 GLU CB C 46 28.448 28.562 -0.114 1
1 529 . 9 1 1 A 46 46 GLU N N 46 117.193 117.441 -0.248 1
1 530 . 9 1 1 A 47 47 ASN H H 47 8.119 8.272 -0.153 1
1 531 . 9 1 1 A 47 47 ASN HA H 47 4.922 4.691 0.231 1
1 536 . 9 1 1 A 47 47 ASN C C 47 175.293 176.280 -0.987 1
1 537 . 9 1 1 A 47 47 ASN CA C 47 52.430 55.066 -2.636 1
1 538 . 9 1 1 A 47 47 ASN CB C 47 38.439 38.924 -0.485 1
1 539 . 9 1 1 A 47 47 ASN N N 47 118.023 116.259 1.764 1
1 541 . 9 1 1 A 48 48 ILE H H 48 7.695 7.422 0.273 1
1 542 . 9 1 1 A 48 48 ILE HA H 48 4.075 4.205 -0.130 1
1 552 . 9 1 1 A 48 48 ILE C C 48 175.029 175.559 -0.530 1
1 553 . 9 1 1 A 48 48 ILE CA C 48 59.749 61.780 -2.031 1
1 554 . 9 1 1 A 48 48 ILE CB C 48 35.109 36.900 -1.791 1
1 558 . 9 1 1 A 48 48 ILE N N 48 121.906 119.795 2.111 1
1 559 . 9 1 1 A 49 49 LEU H H 49 8.137 8.365 -0.228 1
1 560 . 9 1 1 A 49 49 LEU HA H 49 4.286 4.309 -0.023 1
1 570 . 9 1 1 A 49 49 LEU C C 49 176.808 177.141 -0.333 1
1 571 . 9 1 1 A 49 49 LEU CA C 49 55.748 56.979 -1.231 1
1 572 . 9 1 1 A 49 49 LEU CB C 49 42.088 42.743 -0.655 1
1 576 . 9 1 1 A 49 49 LEU N N 49 125.062 129.365 -4.303 1
1 577 . 9 1 1 A 50 50 ASP H H 50 7.284 7.818 -0.534 1
1 578 . 9 1 1 A 50 50 ASP HA H 50 5.077 4.822 0.255 1
1 581 . 9 1 1 A 50 50 ASP C C 50 174.968 176.071 -1.103 1
1 582 . 9 1 1 A 50 50 ASP CA C 50 50.443 51.907 -1.464 1
1 583 . 9 1 1 A 50 50 ASP CB C 50 41.822 40.852 0.970 1
1 584 . 9 1 1 A 50 50 ASP N N 50 118.019 118.305 -0.286 1
1 585 . 9 1 1 A 51 51 PRO HA H 51 4.258 4.260 -0.002 1
1 592 . 9 1 1 A 51 51 PRO C C 51 179.037 178.696 0.341 1
1 593 . 9 1 1 A 51 51 PRO CA C 51 64.372 64.913 -0.541 1
1 594 . 9 1 1 A 51 51 PRO CB C 51 32.382 32.056 0.326 1
1 597 . 9 1 1 A 52 52 ARG H H 52 8.253 8.484 -0.231 1
1 598 . 9 1 1 A 52 52 ARG HA H 52 3.995 4.039 -0.044 1
1 605 . 9 1 1 A 52 52 ARG C C 52 179.774 178.745 1.029 1
1 606 . 9 1 1 A 52 52 ARG CA C 52 59.255 59.237 0.018 1
1 607 . 9 1 1 A 52 52 ARG CB C 52 29.608 29.907 -0.299 1
1 610 . 9 1 1 A 52 52 ARG N N 52 117.657 118.454 -0.797 1
1 611 . 9 1 1 A 53 53 LEU H H 53 7.576 7.859 -0.283 1
1 612 . 9 1 1 A 53 53 LEU HA H 53 4.043 3.937 0.106 1
1 622 . 9 1 1 A 53 53 LEU C C 53 180.197 178.810 1.387 1
1 623 . 9 1 1 A 53 53 LEU CA C 53 57.620 57.832 -0.212 1
1 624 . 9 1 1 A 53 53 LEU CB C 53 42.080 41.981 0.099 1
1 628 . 9 1 1 A 53 53 LEU N N 53 118.887 120.337 -1.450 1
1 629 . 9 1 1 A 54 54 LEU H H 54 7.185 8.132 -0.947 1
1 630 . 9 1 1 A 54 54 LEU HA H 54 3.966 3.691 0.275 1
1 640 . 9 1 1 A 54 54 LEU C C 54 178.631 179.006 -0.375 1
1 641 . 9 1 1 A 54 54 LEU CA C 54 57.549 57.934 -0.385 1
1 642 . 9 1 1 A 54 54 LEU CB C 54 41.646 41.833 -0.187 1
1 646 . 9 1 1 A 54 54 LEU N N 54 119.814 117.630 2.184 1
1 647 . 9 1 1 A 55 55 LEU H H 55 7.791 8.273 -0.482 1
1 648 . 9 1 1 A 55 55 LEU HA H 55 4.132 3.880 0.252 1
1 658 . 9 1 1 A 55 55 LEU C C 55 179.501 178.907 0.594 1
1 659 . 9 1 1 A 55 55 LEU CA C 55 58.007 58.271 -0.264 1
1 660 . 9 1 1 A 55 55 LEU CB C 55 41.523 41.502 0.021 1
1 664 . 9 1 1 A 55 55 LEU N N 55 120.290 118.259 2.031 1
1 665 . 9 1 1 A 56 56 ALA H H 56 7.771 8.216 -0.445 1
1 666 . 9 1 1 A 56 56 ALA HA H 56 4.145 4.083 0.062 1
1 670 . 9 1 1 A 56 56 ALA C C 56 180.157 180.117 0.040 1
1 671 . 9 1 1 A 56 56 ALA CA C 56 54.963 55.091 -0.128 1
1 672 . 9 1 1 A 56 56 ALA CB C 56 18.232 18.532 -0.300 1
1 673 . 9 1 1 A 56 56 ALA N N 56 119.874 120.229 -0.355 1
1 674 . 9 1 1 A 57 57 PHE H H 57 7.526 7.677 -0.151 1
1 675 . 9 1 1 A 57 57 PHE HA H 57 4.451 4.117 0.334 1
1 683 . 9 1 1 A 57 57 PHE C C 57 176.838 177.488 -0.650 1
1 684 . 9 1 1 A 57 57 PHE CA C 57 60.822 61.420 -0.598 1
1 685 . 9 1 1 A 57 57 PHE CB C 57 39.878 39.249 0.629 1
1 691 . 9 1 1 A 57 57 PHE N N 57 119.210 119.321 -0.111 1
1 692 . 9 1 1 A 58 58 GLN H H 58 8.415 8.683 -0.268 1
1 693 . 9 1 1 A 58 58 GLN HA H 58 3.874 4.164 -0.290 1
1 700 . 9 1 1 A 58 58 GLN C C 58 178.639 178.454 0.185 1
1 701 . 9 1 1 A 58 58 GLN CA C 58 58.499 59.322 -0.823 1
1 702 . 9 1 1 A 58 58 GLN CB C 58 28.325 28.263 0.062 1
1 704 . 9 1 1 A 58 58 GLN N N 58 118.702 117.961 0.741 1
1 706 . 9 1 1 A 59 59 LYS H H 59 7.918 7.940 -0.022 1
1 707 . 9 1 1 A 59 59 LYS HA H 59 4.121 4.024 0.097 1
1 716 . 9 1 1 A 59 59 LYS C C 59 178.269 178.984 -0.715 1
1 717 . 9 1 1 A 59 59 LYS CA C 59 58.921 59.396 -0.475 1
1 718 . 9 1 1 A 59 59 LYS CB C 59 32.437 32.351 0.086 1
1 722 . 9 1 1 A 59 59 LYS N N 59 119.131 120.604 -1.473 1
1 723 . 9 1 1 A 60 60 LYS H H 60 7.595 7.653 -0.058 1
1 724 . 9 1 1 A 60 60 LYS HA H 60 4.133 4.026 0.107 1
1 733 . 9 1 1 A 60 60 LYS C C 60 178.836 179.492 -0.656 1
1 734 . 9 1 1 A 60 60 LYS CA C 60 58.323 59.787 -1.464 1
1 735 . 9 1 1 A 60 60 LYS CB C 60 32.150 32.229 -0.079 1
1 739 . 9 1 1 A 60 60 LYS N N 60 120.016 118.657 1.359 1
1 740 . 9 1 1 A 61 61 GLU H H 61 8.095 8.355 -0.260 1
1 741 . 9 1 1 A 61 61 GLU HA H 61 3.936 3.781 0.155 1
1 746 . 9 1 1 A 61 61 GLU C C 61 178.233 178.776 -0.543 1
1 747 . 9 1 1 A 61 61 GLU CA C 61 58.605 59.452 -0.847 1
1 748 . 9 1 1 A 61 61 GLU CB C 61 29.806 29.242 0.564 1
1 750 . 9 1 1 A 61 61 GLU N N 61 119.560 119.611 -0.051 1
1 751 . 9 1 1 A 62 62 HIS H H 62 8.037 7.718 0.319 1
1 752 . 9 1 1 A 62 62 HIS HA H 62 4.517 4.071 0.446 1
1 757 . 9 1 1 A 62 62 HIS C C 62 176.449 176.725 -0.276 1
1 758 . 9 1 1 A 62 62 HIS CA C 62 57.740 60.049 -2.309 1
1 759 . 9 1 1 A 62 62 HIS CB C 62 29.928 30.120 -0.192 1
1 762 . 9 1 1 A 62 62 HIS N N 62 118.437 119.673 -1.236 1
1 763 . 9 1 1 A 63 63 GLU H H 63 8.010 8.068 -0.058 1
1 764 . 9 1 1 A 63 63 GLU HA H 63 4.096 3.959 0.137 1
1 769 . 9 1 1 A 63 63 GLU C C 63 177.485 179.573 -2.088 1
1 770 . 9 1 1 A 63 63 GLU CA C 63 57.954 59.764 -1.810 1
1 771 . 9 1 1 A 63 63 GLU CB C 63 29.783 29.346 0.437 1
1 773 . 9 1 1 A 63 63 GLU N N 63 119.622 118.357 1.265 1
1 774 . 9 1 1 A 64 64 LYS H H 64 7.874 8.096 -0.222 1
1 775 . 9 1 1 A 64 64 LYS HA H 64 4.213 4.014 0.199 1
1 784 . 9 1 1 A 64 64 LYS C C 64 177.341 177.456 -0.115 1
1 785 . 9 1 1 A 64 64 LYS CA C 64 57.479 59.702 -2.223 1
1 786 . 9 1 1 A 64 64 LYS CB C 64 32.684 32.142 0.542 1
1 790 . 9 1 1 A 64 64 LYS N N 64 119.617 120.186 -0.569 1
1 791 . 9 1 1 A 65 65 GLU H H 65 8.044 7.974 0.070 1
1 792 . 9 1 1 A 65 65 GLU HA H 65 4.236 4.135 0.101 1
1 797 . 9 1 1 A 65 65 GLU C C 65 177.451 176.682 0.769 1
1 798 . 9 1 1 A 65 65 GLU CA C 65 57.426 57.279 0.147 1
1 799 . 9 1 1 A 65 65 GLU CB C 65 29.971 30.853 -0.882 1
1 801 . 9 1 1 A 65 65 GLU N N 65 120.606 118.324 2.282 1
1 802 . 9 1 1 A 66 66 VAL H H 66 8.028 8.559 -0.531 1
1 803 . 9 1 1 A 66 66 VAL HA H 66 4.035 4.188 -0.153 1
1 811 . 9 1 1 A 66 66 VAL C C 66 176.848 176.024 0.824 1
1 812 . 9 1 1 A 66 66 VAL CA C 66 63.160 63.622 -0.462 1
1 813 . 9 1 1 A 66 66 VAL CB C 66 32.396 33.080 -0.684 1
1 816 . 9 1 1 A 66 66 VAL N N 66 119.834 125.091 -5.257 1
1 817 . 9 1 1 A 67 67 GLN H H 67 8.265 7.823 0.442 1
1 818 . 9 1 1 A 67 67 GLN HA H 67 4.313 4.514 -0.201 1
1 825 . 9 1 1 A 67 67 GLN C C 67 176.073 175.537 0.536 1
1 826 . 9 1 1 A 67 67 GLN CA C 67 56.283 55.890 0.393 1
1 827 . 9 1 1 A 67 67 GLN CB C 67 29.216 29.807 -0.591 1
1 829 . 9 1 1 A 67 67 GLN N N 67 122.698 121.469 1.229 1
1 831 . 9 1 1 A 68 68 ASN H H 68 8.391 8.744 -0.353 1
1 832 . 9 1 1 A 68 68 ASN HA H 68 4.782 5.321 -0.539 1
1 837 . 9 1 1 A 68 68 ASN C C 68 175.242 174.382 0.860 1
1 838 . 9 1 1 A 68 68 ASN CA C 68 53.487 51.891 1.596 1
1 839 . 9 1 1 A 68 68 ASN CB C 68 39.138 43.037 -3.899 1
1 840 . 9 1 1 A 68 68 ASN N N 68 119.609 123.065 -3.456 1
1 842 . 9 1 1 A 69 69 SER H H 69 8.272 8.606 -0.334 1
1 843 . 9 1 1 A 69 69 SER HA H 69 4.501 4.601 -0.100 1
1 846 . 9 1 1 A 69 69 SER C C 69 174.630 175.122 -0.492 1
1 847 . 9 1 1 A 69 69 SER CA C 69 58.587 58.731 -0.144 1
1 848 . 9 1 1 A 69 69 SER CB C 69 64.174 63.557 0.617 1
1 849 . 9 1 1 A 69 69 SER N N 69 116.106 118.669 -2.563 1
1 850 . 9 1 1 A 70 70 GLY H H 70 8.251 8.534 -0.283 1
1 851 . 9 1 1 A 70 70 GLY HA2 H 70 4.175 4.001 0.174 1
1 852 . 9 1 1 A 70 70 GLY HA3 H 70 4.144 4.001 0.143 1
1 853 . 9 1 1 A 70 70 GLY C C 70 171.843 173.384 -1.541 1
1 854 . 9 1 1 A 70 70 GLY CA C 70 44.709 44.947 -0.238 1
1 855 . 9 1 1 A 70 70 GLY N N 70 110.658 110.033 0.625 1
1 856 . 9 1 1 A 71 71 PRO HA H 71 4.501 4.747 -0.246 1
1 863 . 9 1 1 A 71 71 PRO C C 71 177.457 176.820 0.637 1
1 864 . 9 1 1 A 71 71 PRO CA C 71 63.300 62.511 0.789 1
1 865 . 9 1 1 A 71 71 PRO CB C 71 32.008 30.867 1.141 1
1 868 . 9 1 1 A 72 72 SER H H 72 8.536 8.073 0.463 1
1 869 . 9 1 1 A 72 72 SER CA C 72 58.429 58.492 -0.063 1
1 1 . 10 1 1 A 6 6 SER HA H 6 4.501 4.184 0.317 1
1 4 . 10 1 1 A 6 6 SER C C 6 175.089 174.527 0.562 1
1 5 . 10 1 1 A 6 6 SER CA C 6 58.675 61.436 -2.761 1
1 6 . 10 1 1 A 6 6 SER CB C 6 63.909 63.295 0.614 1
1 7 . 10 1 1 A 7 7 GLY H H 7 8.374 7.841 0.533 1
1 8 . 10 1 1 A 7 7 GLY HA2 H 7 3.966 4.120 -0.154 1
1 9 . 10 1 1 A 7 7 GLY HA3 H 7 3.966 4.129 -0.163 1
1 10 . 10 1 1 A 7 7 GLY C C 7 174.147 173.570 0.577 1
1 11 . 10 1 1 A 7 7 GLY CA C 7 45.359 44.608 0.751 1
1 12 . 10 1 1 A 7 7 GLY N N 7 110.638 108.274 2.364 1
1 13 . 10 1 1 A 8 8 GLU H H 8 8.255 8.527 -0.272 1
1 14 . 10 1 1 A 8 8 GLU HA H 8 4.273 4.646 -0.373 1
1 19 . 10 1 1 A 8 8 GLU C C 8 176.471 176.036 0.435 1
1 20 . 10 1 1 A 8 8 GLU CA C 8 56.582 55.385 1.197 1
1 21 . 10 1 1 A 8 8 GLU CB C 8 30.299 29.434 0.865 1
1 23 . 10 1 1 A 8 8 GLU N N 8 120.542 119.218 1.324 1
1 24 . 10 1 1 A 9 9 GLN H H 9 8.397 7.809 0.588 1
1 25 . 10 1 1 A 9 9 GLN HA H 9 4.332 4.636 -0.304 1
1 32 . 10 1 1 A 9 9 GLN C C 9 175.365 175.521 -0.156 1
1 33 . 10 1 1 A 9 9 GLN CA C 9 55.668 54.410 1.258 1
1 34 . 10 1 1 A 9 9 GLN CB C 9 29.560 29.563 -0.003 1
1 36 . 10 1 1 A 9 9 GLN N N 9 121.410 120.750 0.660 1
1 38 . 10 1 1 A 10 10 VAL H H 10 8.104 8.710 -0.606 1
1 39 . 10 1 1 A 10 10 VAL HA H 10 4.054 4.099 -0.045 1
1 47 . 10 1 1 A 10 10 VAL C C 10 175.736 174.659 1.077 1
1 48 . 10 1 1 A 10 10 VAL CA C 10 62.334 62.953 -0.619 1
1 49 . 10 1 1 A 10 10 VAL CB C 10 33.136 31.902 1.234 1
1 52 . 10 1 1 A 10 10 VAL N N 10 121.590 126.481 -4.891 1
1 53 . 10 1 1 A 11 11 PHE H H 11 8.491 9.091 -0.600 1
1 54 . 10 1 1 A 11 11 PHE HA H 11 4.696 5.154 -0.458 1
1 62 . 10 1 1 A 11 11 PHE C C 11 174.477 175.169 -0.692 1
1 63 . 10 1 1 A 11 11 PHE CA C 11 57.444 56.477 0.967 1
1 64 . 10 1 1 A 11 11 PHE CB C 11 39.467 43.673 -4.206 1
1 70 . 10 1 1 A 11 11 PHE N N 11 125.302 126.969 -1.667 1
1 71 . 10 1 1 A 12 12 ALA H H 12 9.203 8.903 0.300 1
1 72 . 10 1 1 A 12 12 ALA HA H 12 4.866 5.251 -0.385 1
1 76 . 10 1 1 A 12 12 ALA C C 12 176.813 176.134 0.679 1
1 77 . 10 1 1 A 12 12 ALA CA C 12 51.252 51.788 -0.536 1
1 78 . 10 1 1 A 12 12 ALA CB C 12 20.719 20.898 -0.179 1
1 79 . 10 1 1 A 12 12 ALA N N 12 127.219 122.965 4.254 1
1 80 . 10 1 1 A 13 13 ALA H H 13 8.891 9.097 -0.206 1
1 81 . 10 1 1 A 13 13 ALA HA H 13 3.874 4.027 -0.153 1
1 85 . 10 1 1 A 13 13 ALA C C 13 176.194 177.315 -1.121 1
1 86 . 10 1 1 A 13 13 ALA CA C 13 53.380 51.549 1.831 1
1 87 . 10 1 1 A 13 13 ALA CB C 13 19.448 18.024 1.424 1
1 88 . 10 1 1 A 13 13 ALA N N 13 126.618 127.655 -1.037 1
1 89 . 10 1 1 A 14 14 GLU H H 14 9.604 8.669 0.935 1
1 90 . 10 1 1 A 14 14 GLU HA H 14 4.336 4.060 0.276 1
1 95 . 10 1 1 A 14 14 GLU C C 14 176.093 175.943 0.150 1
1 96 . 10 1 1 A 14 14 GLU CA C 14 57.356 59.559 -2.203 1
1 97 . 10 1 1 A 14 14 GLU CB C 14 32.273 30.347 1.926 1
1 99 . 10 1 1 A 14 14 GLU N N 14 123.285 124.329 -1.044 1
1 100 . 10 1 1 A 15 15 CYS H H 15 7.655 7.459 0.196 1
1 101 . 10 1 1 A 15 15 CYS HA H 15 4.527 4.561 -0.034 1
1 104 . 10 1 1 A 15 15 CYS C C 15 171.003 172.736 -1.733 1
1 105 . 10 1 1 A 15 15 CYS CA C 15 56.674 58.224 -1.550 1
1 106 . 10 1 1 A 15 15 CYS CB C 15 29.765 30.768 -1.003 1
1 107 . 10 1 1 A 15 15 CYS N N 15 110.806 116.160 -5.354 1
1 108 . 10 1 1 A 16 16 ILE H H 16 8.316 8.638 -0.322 1
1 109 . 10 1 1 A 16 16 ILE HA H 16 4.344 3.961 0.383 1
1 119 . 10 1 1 A 16 16 ILE C C 16 175.432 175.501 -0.069 1
1 120 . 10 1 1 A 16 16 ILE CA C 16 60.047 61.657 -1.610 1
1 121 . 10 1 1 A 16 16 ILE CB C 16 39.308 37.273 2.035 1
1 125 . 10 1 1 A 16 16 ILE N N 16 121.665 124.419 -2.754 1
1 126 . 10 1 1 A 17 17 LEU H H 17 9.207 9.185 0.022 1
1 127 . 10 1 1 A 17 17 LEU HA H 17 4.425 4.356 0.069 1
1 137 . 10 1 1 A 17 17 LEU C C 17 177.573 176.269 1.304 1
1 138 . 10 1 1 A 17 17 LEU CA C 17 55.825 55.924 -0.099 1
1 139 . 10 1 1 A 17 17 LEU CB C 17 44.400 42.346 2.054 1
1 143 . 10 1 1 A 17 17 LEU N N 17 124.728 129.459 -4.731 1
1 144 . 10 1 1 A 18 18 SER H H 18 7.082 7.287 -0.205 1
1 145 . 10 1 1 A 18 18 SER HA H 18 4.778 4.787 -0.009 1
1 148 . 10 1 1 A 18 18 SER C C 18 171.685 172.303 -0.618 1
1 149 . 10 1 1 A 18 18 SER CA C 18 57.075 56.659 0.416 1
1 150 . 10 1 1 A 18 18 SER CB C 18 64.550 65.061 -0.511 1
1 151 . 10 1 1 A 18 18 SER N N 18 110.441 109.470 0.971 1
1 152 . 10 1 1 A 19 19 LYS H H 19 8.745 9.179 -0.434 1
1 153 . 10 1 1 A 19 19 LYS HA H 19 5.836 5.553 0.283 1
1 162 . 10 1 1 A 19 19 LYS C C 19 174.068 174.702 -0.634 1
1 163 . 10 1 1 A 19 19 LYS CA C 19 54.770 54.573 0.197 1
1 164 . 10 1 1 A 19 19 LYS CB C 19 37.493 37.120 0.373 1
1 168 . 10 1 1 A 19 19 LYS N N 19 120.354 119.294 1.060 1
1 169 . 10 1 1 A 20 20 ARG H H 20 9.264 8.921 0.343 1
1 170 . 10 1 1 A 20 20 ARG HA H 20 4.703 5.092 -0.389 1
1 178 . 10 1 1 A 20 20 ARG C C 20 171.618 173.826 -2.208 1
1 179 . 10 1 1 A 20 20 ARG CA C 20 54.471 54.643 -0.172 1
1 180 . 10 1 1 A 20 20 ARG CB C 20 32.578 33.938 -1.360 1
1 183 . 10 1 1 A 20 20 ARG N N 20 119.809 119.650 0.159 1
1 185 . 10 1 1 A 21 21 LEU H H 21 8.286 8.633 -0.347 1
1 186 . 10 1 1 A 21 21 LEU HA H 21 4.927 5.004 -0.077 1
1 196 . 10 1 1 A 21 21 LEU C C 21 176.880 176.475 0.405 1
1 197 . 10 1 1 A 21 21 LEU CA C 21 53.433 54.020 -0.587 1
1 198 . 10 1 1 A 21 21 LEU CB C 21 43.905 43.057 0.848 1
1 202 . 10 1 1 A 21 21 LEU N N 21 121.552 124.465 -2.913 1
1 203 . 10 1 1 A 22 22 ARG H H 22 9.146 8.752 0.394 1
1 204 . 10 1 1 A 22 22 ARG HA H 22 4.434 4.346 0.088 1
1 211 . 10 1 1 A 22 22 ARG C C 22 175.379 175.648 -0.269 1
1 212 . 10 1 1 A 22 22 ARG CA C 22 55.468 54.879 0.589 1
1 213 . 10 1 1 A 22 22 ARG CB C 22 33.049 28.650 4.399 1
1 216 . 10 1 1 A 22 22 ARG N N 22 126.472 128.794 -2.322 1
1 217 . 10 1 1 A 23 23 LYS H H 23 9.505 8.054 1.451 1
1 218 . 10 1 1 A 23 23 LYS HA H 23 3.839 4.006 -0.167 1
1 227 . 10 1 1 A 23 23 LYS C C 23 176.521 176.537 -0.016 1
1 228 . 10 1 1 A 23 23 LYS CA C 23 57.127 57.365 -0.238 1
1 229 . 10 1 1 A 23 23 LYS CB C 23 29.988 31.049 -1.061 1
1 233 . 10 1 1 A 24 24 GLY H H 24 8.438 8.307 0.131 1
1 234 . 10 1 1 A 24 24 GLY HA2 H 24 4.124 4.062 0.062 1
1 235 . 10 1 1 A 24 24 GLY HA3 H 24 3.517 4.063 -0.546 1
1 236 . 10 1 1 A 24 24 GLY C C 24 173.338 174.443 -1.105 1
1 237 . 10 1 1 A 24 24 GLY CA C 24 45.481 45.289 0.192 1
1 238 . 10 1 1 A 24 24 GLY N N 24 103.048 105.406 -2.358 1
1 239 . 10 1 1 A 25 25 LYS H H 25 7.785 7.757 0.028 1
1 240 . 10 1 1 A 25 25 LYS HA H 25 4.635 4.755 -0.120 1
1 249 . 10 1 1 A 25 25 LYS C C 25 174.733 174.757 -0.024 1
1 250 . 10 1 1 A 25 25 LYS CA C 25 54.365 54.257 0.108 1
1 251 . 10 1 1 A 25 25 LYS CB C 25 34.616 34.954 -0.338 1
1 255 . 10 1 1 A 25 25 LYS N N 25 121.463 120.285 1.178 1
1 256 . 10 1 1 A 26 26 LEU H H 26 8.555 8.689 -0.134 1
1 257 . 10 1 1 A 26 26 LEU HA H 26 4.763 4.940 -0.177 1
1 267 . 10 1 1 A 26 26 LEU C C 26 176.596 174.775 1.821 1
1 268 . 10 1 1 A 26 26 LEU CA C 26 54.999 53.352 1.647 1
1 269 . 10 1 1 A 26 26 LEU CB C 26 43.167 45.334 -2.167 1
1 273 . 10 1 1 A 26 26 LEU N N 26 124.731 124.226 0.505 1
1 274 . 10 1 1 A 27 27 GLU H H 27 8.944 9.426 -0.482 1
1 275 . 10 1 1 A 27 27 GLU HA H 27 4.923 4.943 -0.020 1
1 280 . 10 1 1 A 27 27 GLU C C 27 174.422 175.161 -0.739 1
1 281 . 10 1 1 A 27 27 GLU CA C 27 53.874 54.725 -0.851 1
1 282 . 10 1 1 A 27 27 GLU CB C 27 35.191 32.452 2.739 1
1 284 . 10 1 1 A 27 27 GLU N N 27 122.189 126.246 -4.057 1
1 285 . 10 1 1 A 28 28 TYR H H 28 9.423 9.475 -0.052 1
1 286 . 10 1 1 A 28 28 TYR HA H 28 5.265 4.886 0.379 1
1 293 . 10 1 1 A 28 28 TYR C C 28 174.020 174.928 -0.908 1
1 294 . 10 1 1 A 28 28 TYR CA C 28 56.511 56.593 -0.082 1
1 295 . 10 1 1 A 28 28 TYR CB C 28 41.646 40.844 0.802 1
1 300 . 10 1 1 A 28 28 TYR N N 28 118.361 122.921 -4.560 1
1 301 . 10 1 1 A 29 29 LEU H H 29 7.779 8.531 -0.752 1
1 302 . 10 1 1 A 29 29 LEU HA H 29 3.634 3.594 0.040 1
1 312 . 10 1 1 A 29 29 LEU C C 29 173.992 174.711 -0.719 1
1 313 . 10 1 1 A 29 29 LEU CA C 29 53.680 53.897 -0.217 1
1 314 . 10 1 1 A 29 29 LEU CB C 29 40.115 41.386 -1.271 1
1 318 . 10 1 1 A 29 29 LEU N N 29 127.541 125.597 1.944 1
1 319 . 10 1 1 A 30 30 VAL H H 30 8.936 7.902 1.034 1
1 320 . 10 1 1 A 30 30 VAL HA H 30 3.915 3.687 0.228 1
1 328 . 10 1 1 A 30 30 VAL C C 30 173.840 174.610 -0.770 1
1 329 . 10 1 1 A 30 30 VAL CA C 30 62.106 62.435 -0.329 1
1 330 . 10 1 1 A 30 30 VAL CB C 30 34.458 31.620 2.838 1
1 333 . 10 1 1 A 30 30 VAL N N 30 130.095 127.108 2.987 1
1 334 . 10 1 1 A 31 31 LYS H H 31 7.596 7.762 -0.166 1
1 335 . 10 1 1 A 31 31 LYS HA H 31 4.525 4.631 -0.106 1
1 344 . 10 1 1 A 31 31 LYS C C 31 175.379 174.028 1.351 1
1 345 . 10 1 1 A 31 31 LYS CA C 31 53.574 54.257 -0.683 1
1 346 . 10 1 1 A 31 31 LYS CB C 31 34.848 34.276 0.572 1
1 350 . 10 1 1 A 31 31 LYS N N 31 123.992 126.279 -2.287 1
1 351 . 10 1 1 A 32 32 TRP H H 32 9.368 8.836 0.532 1
1 352 . 10 1 1 A 32 32 TRP HA H 32 4.816 5.325 -0.509 1
1 361 . 10 1 1 A 32 32 TRP C C 32 176.830 176.892 -0.062 1
1 362 . 10 1 1 A 32 32 TRP CA C 32 56.002 55.673 0.329 1
1 363 . 10 1 1 A 32 32 TRP CB C 32 31.163 30.543 0.620 1
1 369 . 10 1 1 A 32 32 TRP N N 32 131.754 126.132 5.622 1
1 371 . 10 1 1 A 33 33 ARG H H 33 9.455 8.972 0.483 1
1 372 . 10 1 1 A 33 33 ARG HA H 33 4.345 4.091 0.254 1
1 379 . 10 1 1 A 33 33 ARG C C 33 178.092 178.679 -0.587 1
1 380 . 10 1 1 A 33 33 ARG CA C 33 57.590 59.327 -1.737 1
1 381 . 10 1 1 A 33 33 ARG CB C 33 30.400 30.145 0.255 1
1 384 . 10 1 1 A 33 33 ARG N N 33 124.374 126.408 -2.034 1
1 385 . 10 1 1 A 34 34 GLY H H 34 9.319 8.456 0.863 1
1 386 . 10 1 1 A 34 34 GLY HA2 H 34 3.642 3.606 0.036 1
1 387 . 10 1 1 A 34 34 GLY HA3 H 34 3.976 3.723 0.253 1
1 388 . 10 1 1 A 34 34 GLY CA C 34 45.636 47.098 -1.462 1
1 389 . 10 1 1 A 34 34 GLY N N 34 114.254 107.403 6.851 1
1 390 . 10 1 1 A 35 35 TRP H H 35 7.725 8.172 -0.447 1
1 391 . 10 1 1 A 35 35 TRP HA H 35 4.785 5.082 -0.297 1
1 400 . 10 1 1 A 35 35 TRP CA C 35 55.641 56.136 -0.495 1
1 401 . 10 1 1 A 35 35 TRP CB C 35 31.352 33.280 -1.928 1
1 407 . 10 1 1 A 35 35 TRP N N 35 120.008 119.914 0.094 1
1 409 . 10 1 1 A 36 36 SER H H 36 8.785 9.290 -0.505 1
1 410 . 10 1 1 A 36 36 SER HA H 36 4.587 4.853 -0.266 1
1 413 . 10 1 1 A 36 36 SER CA C 36 58.364 57.308 1.056 1
1 414 . 10 1 1 A 36 36 SER CB C 36 64.741 65.690 -0.949 1
1 415 . 10 1 1 A 36 36 SER N N 36 117.243 117.197 0.046 1
1 416 . 10 1 1 A 37 37 SER HA H 37 4.491 4.364 0.127 1
1 419 . 10 1 1 A 37 37 SER CA C 37 60.248 62.208 -1.960 1
1 420 . 10 1 1 A 37 37 SER CB C 37 63.340 63.144 0.196 1
1 421 . 10 1 1 A 38 38 LYS HA H 38 4.155 3.966 0.189 1
1 430 . 10 1 1 A 38 38 LYS CA C 38 58.001 58.552 -0.551 1
1 431 . 10 1 1 A 38 38 LYS CB C 38 32.378 32.072 0.306 1
1 435 . 10 1 1 A 39 39 HIS H H 39 8.245 8.244 0.001 1
1 436 . 10 1 1 A 39 39 HIS HA H 39 4.460 4.877 -0.417 1
1 441 . 10 1 1 A 39 39 HIS CA C 39 56.031 54.608 1.423 1
1 442 . 10 1 1 A 39 39 HIS CB C 39 30.068 28.474 1.594 1
1 445 . 10 1 1 A 39 39 HIS N N 39 117.908 115.426 2.482 1
1 446 . 10 1 1 A 40 40 ASN H H 40 7.746 8.757 -1.011 1
1 447 . 10 1 1 A 40 40 ASN HA H 40 5.176 5.540 -0.364 1
1 452 . 10 1 1 A 40 40 ASN C C 40 176.114 174.347 1.767 1
1 453 . 10 1 1 A 40 40 ASN CA C 40 54.102 52.021 2.081 1
1 454 . 10 1 1 A 40 40 ASN CB C 40 37.123 41.852 -4.729 1
1 455 . 10 1 1 A 40 40 ASN N N 40 121.018 121.522 -0.504 1
1 457 . 10 1 1 A 41 41 SER H H 41 8.492 8.211 0.281 1
1 458 . 10 1 1 A 41 41 SER HA H 41 4.866 5.121 -0.255 1
1 461 . 10 1 1 A 41 41 SER C C 41 172.479 173.104 -0.625 1
1 462 . 10 1 1 A 41 41 SER CA C 41 57.145 57.504 -0.359 1
1 463 . 10 1 1 A 41 41 SER CB C 41 66.057 66.011 0.046 1
1 464 . 10 1 1 A 41 41 SER N N 41 115.675 116.114 -0.439 1
1 465 . 10 1 1 A 42 42 TRP H H 42 8.604 9.221 -0.617 1
1 466 . 10 1 1 A 42 42 TRP HA H 42 4.980 5.155 -0.175 1
1 475 . 10 1 1 A 42 42 TRP C C 42 177.025 176.011 1.014 1
1 476 . 10 1 1 A 42 42 TRP CA C 42 56.477 56.178 0.299 1
1 477 . 10 1 1 A 42 42 TRP CB C 42 29.625 29.672 -0.047 1
1 483 . 10 1 1 A 42 42 TRP N N 42 123.109 126.355 -3.246 1
1 485 . 10 1 1 A 43 43 GLU H H 43 9.916 8.743 1.173 1
1 486 . 10 1 1 A 43 43 GLU HA H 43 5.225 4.885 0.340 1
1 491 . 10 1 1 A 43 43 GLU C C 43 174.192 174.105 0.087 1
1 492 . 10 1 1 A 43 43 GLU CA C 43 52.230 53.124 -0.894 1
1 493 . 10 1 1 A 43 43 GLU CB C 43 32.537 30.771 1.766 1
1 495 . 10 1 1 A 43 43 GLU N N 43 125.182 124.736 0.446 1
1 496 . 10 1 1 A 44 44 PRO HA H 44 4.934 4.779 0.155 1
1 503 . 10 1 1 A 44 44 PRO C C 44 177.782 177.560 0.222 1
1 504 . 10 1 1 A 44 44 PRO CA C 44 62.525 62.641 -0.116 1
1 505 . 10 1 1 A 44 44 PRO CB C 44 32.730 32.498 0.232 1
1 508 . 10 1 1 A 45 45 GLU H H 45 8.637 9.009 -0.372 1
1 509 . 10 1 1 A 45 45 GLU HA H 45 3.965 4.185 -0.220 1
1 514 . 10 1 1 A 45 45 GLU C C 45 177.990 178.508 -0.518 1
1 515 . 10 1 1 A 45 45 GLU CA C 45 60.293 59.743 0.550 1
1 516 . 10 1 1 A 45 45 GLU CB C 45 30.235 29.490 0.745 1
1 518 . 10 1 1 A 45 45 GLU N N 45 120.441 123.092 -2.651 1
1 519 . 10 1 1 A 46 46 GLU H H 46 9.698 8.861 0.837 1
1 520 . 10 1 1 A 46 46 GLU HA H 46 4.243 4.191 0.052 1
1 525 . 10 1 1 A 46 46 GLU C C 46 176.547 177.978 -1.431 1
1 526 . 10 1 1 A 46 46 GLU CA C 46 58.693 58.473 0.220 1
1 527 . 10 1 1 A 46 46 GLU CB C 46 28.448 27.581 0.867 1
1 529 . 10 1 1 A 46 46 GLU N N 46 117.193 117.031 0.162 1
1 530 . 10 1 1 A 47 47 ASN H H 47 8.119 8.058 0.061 1
1 531 . 10 1 1 A 47 47 ASN HA H 47 4.922 4.741 0.181 1
1 536 . 10 1 1 A 47 47 ASN C C 47 175.293 176.055 -0.762 1
1 537 . 10 1 1 A 47 47 ASN CA C 47 52.430 54.710 -2.280 1
1 538 . 10 1 1 A 47 47 ASN CB C 47 38.439 39.637 -1.198 1
1 539 . 10 1 1 A 47 47 ASN N N 47 118.023 116.925 1.098 1
1 541 . 10 1 1 A 48 48 ILE H H 48 7.695 7.169 0.526 1
1 542 . 10 1 1 A 48 48 ILE HA H 48 4.075 4.138 -0.063 1
1 552 . 10 1 1 A 48 48 ILE C C 48 175.029 175.554 -0.525 1
1 553 . 10 1 1 A 48 48 ILE CA C 48 59.749 61.942 -2.193 1
1 554 . 10 1 1 A 48 48 ILE CB C 48 35.109 37.091 -1.982 1
1 558 . 10 1 1 A 48 48 ILE N N 48 121.906 120.192 1.714 1
1 559 . 10 1 1 A 49 49 LEU H H 49 8.137 8.405 -0.268 1
1 560 . 10 1 1 A 49 49 LEU HA H 49 4.286 4.296 -0.010 1
1 570 . 10 1 1 A 49 49 LEU C C 49 176.808 177.008 -0.200 1
1 571 . 10 1 1 A 49 49 LEU CA C 49 55.748 56.828 -1.080 1
1 572 . 10 1 1 A 49 49 LEU CB C 49 42.088 42.815 -0.727 1
1 576 . 10 1 1 A 49 49 LEU N N 49 125.062 129.504 -4.442 1
1 577 . 10 1 1 A 50 50 ASP H H 50 7.284 7.880 -0.596 1
1 578 . 10 1 1 A 50 50 ASP HA H 50 5.077 4.839 0.238 1
1 581 . 10 1 1 A 50 50 ASP C C 50 174.968 176.053 -1.085 1
1 582 . 10 1 1 A 50 50 ASP CA C 50 50.443 51.588 -1.145 1
1 583 . 10 1 1 A 50 50 ASP CB C 50 41.822 41.177 0.645 1
1 584 . 10 1 1 A 50 50 ASP N N 50 118.019 118.241 -0.222 1
1 585 . 10 1 1 A 51 51 PRO HA H 51 4.258 4.267 -0.009 1
1 592 . 10 1 1 A 51 51 PRO C C 51 179.037 178.751 0.286 1
1 593 . 10 1 1 A 51 51 PRO CA C 51 64.372 64.904 -0.532 1
1 594 . 10 1 1 A 51 51 PRO CB C 51 32.382 32.085 0.297 1
1 597 . 10 1 1 A 52 52 ARG H H 52 8.253 8.488 -0.235 1
1 598 . 10 1 1 A 52 52 ARG HA H 52 3.995 4.074 -0.079 1
1 605 . 10 1 1 A 52 52 ARG C C 52 179.774 178.825 0.949 1
1 606 . 10 1 1 A 52 52 ARG CA C 52 59.255 59.061 0.194 1
1 607 . 10 1 1 A 52 52 ARG CB C 52 29.608 29.943 -0.335 1
1 610 . 10 1 1 A 52 52 ARG N N 52 117.657 118.461 -0.804 1
1 611 . 10 1 1 A 53 53 LEU H H 53 7.576 7.982 -0.406 1
1 612 . 10 1 1 A 53 53 LEU HA H 53 4.043 3.929 0.114 1
1 622 . 10 1 1 A 53 53 LEU C C 53 180.197 179.004 1.193 1
1 623 . 10 1 1 A 53 53 LEU CA C 53 57.620 57.761 -0.141 1
1 624 . 10 1 1 A 53 53 LEU CB C 53 42.080 41.507 0.573 1
1 628 . 10 1 1 A 53 53 LEU N N 53 118.887 120.015 -1.128 1
1 629 . 10 1 1 A 54 54 LEU H H 54 7.185 7.910 -0.725 1
1 630 . 10 1 1 A 54 54 LEU HA H 54 3.966 3.683 0.283 1
1 640 . 10 1 1 A 54 54 LEU C C 54 178.631 178.944 -0.313 1
1 641 . 10 1 1 A 54 54 LEU CA C 54 57.549 57.955 -0.406 1
1 642 . 10 1 1 A 54 54 LEU CB C 54 41.646 41.762 -0.116 1
1 646 . 10 1 1 A 54 54 LEU N N 54 119.814 117.787 2.027 1
1 647 . 10 1 1 A 55 55 LEU H H 55 7.791 8.216 -0.425 1
1 648 . 10 1 1 A 55 55 LEU HA H 55 4.132 3.870 0.262 1
1 658 . 10 1 1 A 55 55 LEU C C 55 179.501 178.961 0.540 1
1 659 . 10 1 1 A 55 55 LEU CA C 55 58.007 58.197 -0.190 1
1 660 . 10 1 1 A 55 55 LEU CB C 55 41.523 41.423 0.100 1
1 664 . 10 1 1 A 55 55 LEU N N 55 120.290 118.259 2.031 1
1 665 . 10 1 1 A 56 56 ALA H H 56 7.771 8.110 -0.339 1
1 666 . 10 1 1 A 56 56 ALA HA H 56 4.145 4.073 0.072 1
1 670 . 10 1 1 A 56 56 ALA C C 56 180.157 180.007 0.150 1
1 671 . 10 1 1 A 56 56 ALA CA C 56 54.963 55.091 -0.128 1
1 672 . 10 1 1 A 56 56 ALA CB C 56 18.232 18.524 -0.292 1
1 673 . 10 1 1 A 56 56 ALA N N 56 119.874 120.199 -0.325 1
1 674 . 10 1 1 A 57 57 PHE H H 57 7.526 7.634 -0.108 1
1 675 . 10 1 1 A 57 57 PHE HA H 57 4.451 4.129 0.322 1
1 683 . 10 1 1 A 57 57 PHE C C 57 176.838 177.672 -0.834 1
1 684 . 10 1 1 A 57 57 PHE CA C 57 60.822 61.541 -0.719 1
1 685 . 10 1 1 A 57 57 PHE CB C 57 39.878 39.224 0.654 1
1 691 . 10 1 1 A 57 57 PHE N N 57 119.210 119.109 0.101 1
1 692 . 10 1 1 A 58 58 GLN H H 58 8.415 8.620 -0.205 1
1 693 . 10 1 1 A 58 58 GLN HA H 58 3.874 4.073 -0.199 1
1 700 . 10 1 1 A 58 58 GLN C C 58 178.639 178.625 0.014 1
1 701 . 10 1 1 A 58 58 GLN CA C 58 58.499 59.126 -0.627 1
1 702 . 10 1 1 A 58 58 GLN CB C 58 28.325 28.281 0.044 1
1 704 . 10 1 1 A 58 58 GLN N N 58 118.702 117.673 1.029 1
1 706 . 10 1 1 A 59 59 LYS H H 59 7.918 7.752 0.166 1
1 707 . 10 1 1 A 59 59 LYS HA H 59 4.121 4.132 -0.011 1
1 716 . 10 1 1 A 59 59 LYS C C 59 178.269 179.314 -1.045 1
1 717 . 10 1 1 A 59 59 LYS CA C 59 58.921 59.017 -0.096 1
1 718 . 10 1 1 A 59 59 LYS CB C 59 32.437 32.470 -0.033 1
1 722 . 10 1 1 A 59 59 LYS N N 59 119.131 120.032 -0.901 1
1 723 . 10 1 1 A 60 60 LYS H H 60 7.595 7.305 0.290 1
1 724 . 10 1 1 A 60 60 LYS HA H 60 4.133 3.900 0.233 1
1 733 . 10 1 1 A 60 60 LYS C C 60 178.836 179.489 -0.653 1
1 734 . 10 1 1 A 60 60 LYS CA C 60 58.323 59.944 -1.621 1
1 735 . 10 1 1 A 60 60 LYS CB C 60 32.150 32.043 0.107 1
1 739 . 10 1 1 A 60 60 LYS N N 60 120.016 119.865 0.151 1
1 740 . 10 1 1 A 61 61 GLU H H 61 8.095 8.349 -0.254 1
1 741 . 10 1 1 A 61 61 GLU HA H 61 3.936 3.774 0.162 1
1 746 . 10 1 1 A 61 61 GLU C C 61 178.233 178.799 -0.566 1
1 747 . 10 1 1 A 61 61 GLU CA C 61 58.605 59.354 -0.749 1
1 748 . 10 1 1 A 61 61 GLU CB C 61 29.806 29.308 0.498 1
1 750 . 10 1 1 A 61 61 GLU N N 61 119.560 119.346 0.214 1
1 751 . 10 1 1 A 62 62 HIS H H 62 8.037 8.151 -0.114 1
1 752 . 10 1 1 A 62 62 HIS HA H 62 4.517 4.039 0.478 1
1 757 . 10 1 1 A 62 62 HIS C C 62 176.449 177.078 -0.629 1
1 758 . 10 1 1 A 62 62 HIS CA C 62 57.740 59.775 -2.035 1
1 759 . 10 1 1 A 62 62 HIS CB C 62 29.928 30.108 -0.180 1
1 762 . 10 1 1 A 62 62 HIS N N 62 118.437 119.647 -1.210 1
1 763 . 10 1 1 A 63 63 GLU H H 63 8.010 8.371 -0.361 1
1 764 . 10 1 1 A 63 63 GLU HA H 63 4.096 4.019 0.077 1
1 769 . 10 1 1 A 63 63 GLU C C 63 177.485 178.907 -1.422 1
1 770 . 10 1 1 A 63 63 GLU CA C 63 57.954 59.797 -1.843 1
1 771 . 10 1 1 A 63 63 GLU CB C 63 29.783 29.378 0.405 1
1 773 . 10 1 1 A 63 63 GLU N N 63 119.622 117.620 2.002 1
1 774 . 10 1 1 A 64 64 LYS H H 64 7.874 7.848 0.026 1
1 775 . 10 1 1 A 64 64 LYS HA H 64 4.213 4.199 0.014 1
1 784 . 10 1 1 A 64 64 LYS C C 64 177.341 177.158 0.183 1
1 785 . 10 1 1 A 64 64 LYS CA C 64 57.479 59.251 -1.772 1
1 786 . 10 1 1 A 64 64 LYS CB C 64 32.684 32.404 0.280 1
1 790 . 10 1 1 A 64 64 LYS N N 64 119.617 120.030 -0.413 1
1 791 . 10 1 1 A 65 65 GLU H H 65 8.044 8.034 0.010 1
1 792 . 10 1 1 A 65 65 GLU HA H 65 4.236 4.588 -0.352 1
1 797 . 10 1 1 A 65 65 GLU C C 65 177.451 175.650 1.801 1
1 798 . 10 1 1 A 65 65 GLU CA C 65 57.426 55.997 1.429 1
1 799 . 10 1 1 A 65 65 GLU CB C 65 29.971 30.877 -0.906 1
1 801 . 10 1 1 A 65 65 GLU N N 65 120.606 118.245 2.361 1
1 802 . 10 1 1 A 66 66 VAL H H 66 8.028 8.937 -0.909 1
1 803 . 10 1 1 A 66 66 VAL HA H 66 4.035 4.959 -0.924 1
1 811 . 10 1 1 A 66 66 VAL C C 66 176.848 174.651 2.197 1
1 812 . 10 1 1 A 66 66 VAL CA C 66 63.160 60.595 2.565 1
1 813 . 10 1 1 A 66 66 VAL CB C 66 32.396 33.078 -0.682 1
1 816 . 10 1 1 A 66 66 VAL N N 66 119.834 122.303 -2.469 1
1 817 . 10 1 1 A 67 67 GLN H H 67 8.265 8.458 -0.193 1
1 818 . 10 1 1 A 67 67 GLN HA H 67 4.313 4.752 -0.439 1
1 825 . 10 1 1 A 67 67 GLN C C 67 176.073 173.694 2.379 1
1 826 . 10 1 1 A 67 67 GLN CA C 67 56.283 55.636 0.647 1
1 827 . 10 1 1 A 67 67 GLN CB C 67 29.216 33.008 -3.792 1
1 829 . 10 1 1 A 67 67 GLN N N 67 122.698 125.719 -3.021 1
1 831 . 10 1 1 A 68 68 ASN H H 68 8.391 8.613 -0.222 1
1 832 . 10 1 1 A 68 68 ASN HA H 68 4.782 5.270 -0.488 1
1 837 . 10 1 1 A 68 68 ASN C C 68 175.242 175.069 0.173 1
1 838 . 10 1 1 A 68 68 ASN CA C 68 53.487 52.414 1.073 1
1 839 . 10 1 1 A 68 68 ASN CB C 68 39.138 42.312 -3.174 1
1 840 . 10 1 1 A 68 68 ASN N N 68 119.609 123.423 -3.814 1
1 842 . 10 1 1 A 69 69 SER H H 69 8.272 8.722 -0.450 1
1 843 . 10 1 1 A 69 69 SER HA H 69 4.501 4.356 0.145 1
1 846 . 10 1 1 A 69 69 SER C C 69 174.630 174.192 0.438 1
1 847 . 10 1 1 A 69 69 SER CA C 69 58.587 60.724 -2.137 1
1 848 . 10 1 1 A 69 69 SER CB C 69 64.174 63.561 0.613 1
1 849 . 10 1 1 A 69 69 SER N N 69 116.106 118.725 -2.619 1
1 850 . 10 1 1 A 70 70 GLY H H 70 8.251 7.839 0.412 1
1 851 . 10 1 1 A 70 70 GLY HA2 H 70 4.175 4.047 0.128 1
1 852 . 10 1 1 A 70 70 GLY HA3 H 70 4.144 4.049 0.095 1
1 853 . 10 1 1 A 70 70 GLY C C 70 171.843 173.033 -1.190 1
1 854 . 10 1 1 A 70 70 GLY CA C 70 44.709 44.234 0.475 1
1 855 . 10 1 1 A 70 70 GLY N N 70 110.658 108.773 1.885 1
1 856 . 10 1 1 A 71 71 PRO HA H 71 4.501 4.738 -0.237 1
1 863 . 10 1 1 A 71 71 PRO C C 71 177.457 175.221 2.236 1
1 864 . 10 1 1 A 71 71 PRO CA C 71 63.300 62.835 0.465 1
1 865 . 10 1 1 A 71 71 PRO CB C 71 32.008 32.199 -0.191 1
1 868 . 10 1 1 A 72 72 SER H H 72 8.536 8.584 -0.048 1
1 869 . 10 1 1 A 72 72 SER CA C 72 58.429 56.400 2.029 1
1 1 . 11 1 1 A 6 6 SER HA H 6 4.501 4.168 0.333 1
1 4 . 11 1 1 A 6 6 SER C C 6 175.089 174.818 0.271 1
1 5 . 11 1 1 A 6 6 SER CA C 6 58.675 59.823 -1.148 1
1 6 . 11 1 1 A 6 6 SER CB C 6 63.909 63.825 0.084 1
1 7 . 11 1 1 A 7 7 GLY H H 7 8.374 8.530 -0.156 1
1 8 . 11 1 1 A 7 7 GLY HA2 H 7 3.966 4.126 -0.160 1
1 9 . 11 1 1 A 7 7 GLY HA3 H 7 3.966 4.128 -0.162 1
1 10 . 11 1 1 A 7 7 GLY C C 7 174.147 173.268 0.879 1
1 11 . 11 1 1 A 7 7 GLY CA C 7 45.359 44.846 0.513 1
1 12 . 11 1 1 A 7 7 GLY N N 7 110.638 110.372 0.266 1
1 13 . 11 1 1 A 8 8 GLU H H 8 8.255 8.363 -0.108 1
1 14 . 11 1 1 A 8 8 GLU HA H 8 4.273 4.324 -0.051 1
1 19 . 11 1 1 A 8 8 GLU C C 8 176.471 176.451 0.020 1
1 20 . 11 1 1 A 8 8 GLU CA C 8 56.582 56.808 -0.226 1
1 21 . 11 1 1 A 8 8 GLU CB C 8 30.299 30.672 -0.373 1
1 23 . 11 1 1 A 8 8 GLU N N 8 120.542 124.441 -3.899 1
1 24 . 11 1 1 A 9 9 GLN H H 9 8.397 8.603 -0.206 1
1 25 . 11 1 1 A 9 9 GLN HA H 9 4.332 4.448 -0.116 1
1 32 . 11 1 1 A 9 9 GLN C C 9 175.365 175.601 -0.236 1
1 33 . 11 1 1 A 9 9 GLN CA C 9 55.668 56.420 -0.752 1
1 34 . 11 1 1 A 9 9 GLN CB C 9 29.560 29.929 -0.369 1
1 36 . 11 1 1 A 9 9 GLN N N 9 121.410 123.254 -1.844 1
1 38 . 11 1 1 A 10 10 VAL H H 10 8.104 8.621 -0.517 1
1 39 . 11 1 1 A 10 10 VAL HA H 10 4.054 4.925 -0.871 1
1 47 . 11 1 1 A 10 10 VAL C C 10 175.736 174.329 1.407 1
1 48 . 11 1 1 A 10 10 VAL CA C 10 62.334 59.152 3.182 1
1 49 . 11 1 1 A 10 10 VAL CB C 10 33.136 35.101 -1.965 1
1 52 . 11 1 1 A 10 10 VAL N N 10 121.590 118.075 3.515 1
1 53 . 11 1 1 A 11 11 PHE H H 11 8.491 8.453 0.038 1
1 54 . 11 1 1 A 11 11 PHE HA H 11 4.696 4.853 -0.157 1
1 62 . 11 1 1 A 11 11 PHE C C 11 174.477 174.547 -0.070 1
1 63 . 11 1 1 A 11 11 PHE CA C 11 57.444 56.168 1.276 1
1 64 . 11 1 1 A 11 11 PHE CB C 11 39.467 39.853 -0.386 1
1 70 . 11 1 1 A 11 11 PHE N N 11 125.302 121.215 4.087 1
1 71 . 11 1 1 A 12 12 ALA H H 12 9.203 9.086 0.117 1
1 72 . 11 1 1 A 12 12 ALA HA H 12 4.866 4.928 -0.062 1
1 76 . 11 1 1 A 12 12 ALA C C 12 176.813 176.246 0.567 1
1 77 . 11 1 1 A 12 12 ALA CA C 12 51.252 50.812 0.440 1
1 78 . 11 1 1 A 12 12 ALA CB C 12 20.719 19.966 0.753 1
1 79 . 11 1 1 A 12 12 ALA N N 12 127.219 128.389 -1.170 1
1 80 . 11 1 1 A 13 13 ALA H H 13 8.891 9.093 -0.202 1
1 81 . 11 1 1 A 13 13 ALA HA H 13 3.874 4.058 -0.184 1
1 85 . 11 1 1 A 13 13 ALA C C 13 176.194 177.262 -1.068 1
1 86 . 11 1 1 A 13 13 ALA CA C 13 53.380 52.065 1.315 1
1 87 . 11 1 1 A 13 13 ALA CB C 13 19.448 18.718 0.730 1
1 88 . 11 1 1 A 13 13 ALA N N 13 126.618 128.087 -1.469 1
1 89 . 11 1 1 A 14 14 GLU H H 14 9.604 9.120 0.484 1
1 90 . 11 1 1 A 14 14 GLU HA H 14 4.336 4.099 0.237 1
1 95 . 11 1 1 A 14 14 GLU C C 14 176.093 175.961 0.132 1
1 96 . 11 1 1 A 14 14 GLU CA C 14 57.356 59.104 -1.748 1
1 97 . 11 1 1 A 14 14 GLU CB C 14 32.273 30.533 1.740 1
1 99 . 11 1 1 A 14 14 GLU N N 14 123.285 124.748 -1.463 1
1 100 . 11 1 1 A 15 15 CYS H H 15 7.655 7.459 0.196 1
1 101 . 11 1 1 A 15 15 CYS HA H 15 4.527 4.602 -0.075 1
1 104 . 11 1 1 A 15 15 CYS C C 15 171.003 172.969 -1.966 1
1 105 . 11 1 1 A 15 15 CYS CA C 15 56.674 58.249 -1.575 1
1 106 . 11 1 1 A 15 15 CYS CB C 15 29.765 30.798 -1.033 1
1 107 . 11 1 1 A 15 15 CYS N N 15 110.806 116.248 -5.442 1
1 108 . 11 1 1 A 16 16 ILE H H 16 8.316 8.674 -0.358 1
1 109 . 11 1 1 A 16 16 ILE HA H 16 4.344 3.863 0.481 1
1 119 . 11 1 1 A 16 16 ILE C C 16 175.432 175.559 -0.127 1
1 120 . 11 1 1 A 16 16 ILE CA C 16 60.047 61.800 -1.753 1
1 121 . 11 1 1 A 16 16 ILE CB C 16 39.308 37.393 1.915 1
1 125 . 11 1 1 A 16 16 ILE N N 16 121.665 125.749 -4.084 1
1 126 . 11 1 1 A 17 17 LEU H H 17 9.207 9.150 0.057 1
1 127 . 11 1 1 A 17 17 LEU HA H 17 4.425 4.398 0.027 1
1 137 . 11 1 1 A 17 17 LEU C C 17 177.573 176.354 1.219 1
1 138 . 11 1 1 A 17 17 LEU CA C 17 55.825 55.909 -0.084 1
1 139 . 11 1 1 A 17 17 LEU CB C 17 44.400 42.454 1.946 1
1 143 . 11 1 1 A 17 17 LEU N N 17 124.728 129.602 -4.874 1
1 144 . 11 1 1 A 18 18 SER H H 18 7.082 7.321 -0.239 1
1 145 . 11 1 1 A 18 18 SER HA H 18 4.778 4.873 -0.095 1
1 148 . 11 1 1 A 18 18 SER C C 18 171.685 172.196 -0.511 1
1 149 . 11 1 1 A 18 18 SER CA C 18 57.075 56.795 0.280 1
1 150 . 11 1 1 A 18 18 SER CB C 18 64.550 65.330 -0.780 1
1 151 . 11 1 1 A 18 18 SER N N 18 110.441 109.720 0.721 1
1 152 . 11 1 1 A 19 19 LYS H H 19 8.745 9.175 -0.430 1
1 153 . 11 1 1 A 19 19 LYS HA H 19 5.836 5.668 0.168 1
1 162 . 11 1 1 A 19 19 LYS C C 19 174.068 174.753 -0.685 1
1 163 . 11 1 1 A 19 19 LYS CA C 19 54.770 54.344 0.426 1
1 164 . 11 1 1 A 19 19 LYS CB C 19 37.493 37.429 0.064 1
1 168 . 11 1 1 A 19 19 LYS N N 19 120.354 119.641 0.713 1
1 169 . 11 1 1 A 20 20 ARG H H 20 9.264 8.810 0.454 1
1 170 . 11 1 1 A 20 20 ARG HA H 20 4.703 5.119 -0.416 1
1 178 . 11 1 1 A 20 20 ARG C C 20 171.618 174.045 -2.427 1
1 179 . 11 1 1 A 20 20 ARG CA C 20 54.471 54.431 0.040 1
1 180 . 11 1 1 A 20 20 ARG CB C 20 32.578 34.091 -1.513 1
1 183 . 11 1 1 A 20 20 ARG N N 20 119.809 118.848 0.961 1
1 185 . 11 1 1 A 21 21 LEU H H 21 8.286 8.358 -0.072 1
1 186 . 11 1 1 A 21 21 LEU HA H 21 4.927 4.940 -0.013 1
1 196 . 11 1 1 A 21 21 LEU C C 21 176.880 175.111 1.769 1
1 197 . 11 1 1 A 21 21 LEU CA C 21 53.433 54.120 -0.687 1
1 198 . 11 1 1 A 21 21 LEU CB C 21 43.905 45.419 -1.514 1
1 202 . 11 1 1 A 21 21 LEU N N 21 121.552 121.283 0.269 1
1 203 . 11 1 1 A 22 22 ARG H H 22 9.146 8.536 0.610 1
1 204 . 11 1 1 A 22 22 ARG HA H 22 4.434 4.517 -0.083 1
1 211 . 11 1 1 A 22 22 ARG C C 22 175.379 175.570 -0.191 1
1 212 . 11 1 1 A 22 22 ARG CA C 22 55.468 56.831 -1.363 1
1 213 . 11 1 1 A 22 22 ARG CB C 22 33.049 32.876 0.173 1
1 216 . 11 1 1 A 22 22 ARG N N 22 126.472 123.516 2.956 1
1 217 . 11 1 1 A 23 23 LYS H H 23 9.505 7.846 1.659 1
1 218 . 11 1 1 A 23 23 LYS HA H 23 3.839 4.514 -0.675 1
1 227 . 11 1 1 A 23 23 LYS C C 23 176.521 176.881 -0.360 1
1 228 . 11 1 1 A 23 23 LYS CA C 23 57.127 54.981 2.146 1
1 229 . 11 1 1 A 23 23 LYS CB C 23 29.988 34.061 -4.073 1
1 233 . 11 1 1 A 24 24 GLY H H 24 8.438 8.656 -0.218 1
1 234 . 11 1 1 A 24 24 GLY HA2 H 24 4.124 3.892 0.232 1
1 235 . 11 1 1 A 24 24 GLY HA3 H 24 3.517 3.893 -0.376 1
1 236 . 11 1 1 A 24 24 GLY C C 24 173.338 173.458 -0.120 1
1 237 . 11 1 1 A 24 24 GLY CA C 24 45.481 46.249 -0.768 1
1 238 . 11 1 1 A 24 24 GLY N N 24 103.048 114.405 -11.357 1
1 239 . 11 1 1 A 25 25 LYS H H 25 7.785 7.576 0.209 1
1 240 . 11 1 1 A 25 25 LYS HA H 25 4.635 4.924 -0.289 1
1 249 . 11 1 1 A 25 25 LYS C C 25 174.733 174.722 0.011 1
1 250 . 11 1 1 A 25 25 LYS CA C 25 54.365 54.729 -0.364 1
1 251 . 11 1 1 A 25 25 LYS CB C 25 34.616 34.835 -0.219 1
1 255 . 11 1 1 A 25 25 LYS N N 25 121.463 115.853 5.610 1
1 256 . 11 1 1 A 26 26 LEU H H 26 8.555 8.569 -0.014 1
1 257 . 11 1 1 A 26 26 LEU HA H 26 4.763 4.925 -0.162 1
1 267 . 11 1 1 A 26 26 LEU C C 26 176.596 174.508 2.088 1
1 268 . 11 1 1 A 26 26 LEU CA C 26 54.999 54.066 0.933 1
1 269 . 11 1 1 A 26 26 LEU CB C 26 43.167 44.014 -0.847 1
1 273 . 11 1 1 A 26 26 LEU N N 26 124.731 126.577 -1.846 1
1 274 . 11 1 1 A 27 27 GLU H H 27 8.944 8.666 0.278 1
1 275 . 11 1 1 A 27 27 GLU HA H 27 4.923 4.953 -0.030 1
1 280 . 11 1 1 A 27 27 GLU C C 27 174.422 174.862 -0.440 1
1 281 . 11 1 1 A 27 27 GLU CA C 27 53.874 54.685 -0.811 1
1 282 . 11 1 1 A 27 27 GLU CB C 27 35.191 33.025 2.166 1
1 284 . 11 1 1 A 27 27 GLU N N 27 122.189 125.938 -3.749 1
1 285 . 11 1 1 A 28 28 TYR H H 28 9.423 9.544 -0.121 1
1 286 . 11 1 1 A 28 28 TYR HA H 28 5.265 5.070 0.195 1
1 293 . 11 1 1 A 28 28 TYR C C 28 174.020 174.552 -0.532 1
1 294 . 11 1 1 A 28 28 TYR CA C 28 56.511 56.373 0.138 1
1 295 . 11 1 1 A 28 28 TYR CB C 28 41.646 41.266 0.380 1
1 300 . 11 1 1 A 28 28 TYR N N 28 118.361 122.151 -3.790 1
1 301 . 11 1 1 A 29 29 LEU H H 29 7.779 8.600 -0.821 1
1 302 . 11 1 1 A 29 29 LEU HA H 29 3.634 3.415 0.219 1
1 312 . 11 1 1 A 29 29 LEU C C 29 173.992 174.464 -0.472 1
1 313 . 11 1 1 A 29 29 LEU CA C 29 53.680 53.810 -0.130 1
1 314 . 11 1 1 A 29 29 LEU CB C 29 40.115 41.110 -0.995 1
1 318 . 11 1 1 A 29 29 LEU N N 29 127.541 126.346 1.195 1
1 319 . 11 1 1 A 30 30 VAL H H 30 8.936 8.179 0.757 1
1 320 . 11 1 1 A 30 30 VAL HA H 30 3.915 3.806 0.109 1
1 328 . 11 1 1 A 30 30 VAL C C 30 173.840 174.490 -0.650 1
1 329 . 11 1 1 A 30 30 VAL CA C 30 62.106 61.962 0.144 1
1 330 . 11 1 1 A 30 30 VAL CB C 30 34.458 31.812 2.646 1
1 333 . 11 1 1 A 30 30 VAL N N 30 130.095 127.112 2.983 1
1 334 . 11 1 1 A 31 31 LYS H H 31 7.596 7.750 -0.154 1
1 335 . 11 1 1 A 31 31 LYS HA H 31 4.525 4.617 -0.092 1
1 344 . 11 1 1 A 31 31 LYS C C 31 175.379 174.290 1.089 1
1 345 . 11 1 1 A 31 31 LYS CA C 31 53.574 54.337 -0.763 1
1 346 . 11 1 1 A 31 31 LYS CB C 31 34.848 34.888 -0.040 1
1 350 . 11 1 1 A 31 31 LYS N N 31 123.992 125.445 -1.453 1
1 351 . 11 1 1 A 32 32 TRP H H 32 9.368 8.647 0.721 1
1 352 . 11 1 1 A 32 32 TRP HA H 32 4.816 5.309 -0.493 1
1 361 . 11 1 1 A 32 32 TRP C C 32 176.830 176.099 0.731 1
1 362 . 11 1 1 A 32 32 TRP CA C 32 56.002 55.783 0.219 1
1 363 . 11 1 1 A 32 32 TRP CB C 32 31.163 30.323 0.840 1
1 369 . 11 1 1 A 32 32 TRP N N 32 131.754 128.040 3.714 1
1 371 . 11 1 1 A 33 33 ARG H H 33 9.455 8.810 0.645 1
1 372 . 11 1 1 A 33 33 ARG HA H 33 4.345 3.859 0.486 1
1 379 . 11 1 1 A 33 33 ARG C C 33 178.092 177.350 0.742 1
1 380 . 11 1 1 A 33 33 ARG CA C 33 57.590 58.600 -1.010 1
1 381 . 11 1 1 A 33 33 ARG CB C 33 30.400 30.091 0.309 1
1 384 . 11 1 1 A 33 33 ARG N N 33 124.374 124.657 -0.283 1
1 385 . 11 1 1 A 34 34 GLY H H 34 9.319 8.923 0.396 1
1 386 . 11 1 1 A 34 34 GLY HA2 H 34 3.642 3.782 -0.140 1
1 387 . 11 1 1 A 34 34 GLY HA3 H 34 3.976 3.889 0.087 1
1 388 . 11 1 1 A 34 34 GLY CA C 34 45.636 45.228 0.408 1
1 389 . 11 1 1 A 34 34 GLY N N 34 114.254 111.550 2.704 1
1 390 . 11 1 1 A 35 35 TRP H H 35 7.725 7.550 0.175 1
1 391 . 11 1 1 A 35 35 TRP HA H 35 4.785 4.621 0.164 1
1 400 . 11 1 1 A 35 35 TRP CA C 35 55.641 57.374 -1.733 1
1 401 . 11 1 1 A 35 35 TRP CB C 35 31.352 30.531 0.821 1
1 407 . 11 1 1 A 35 35 TRP N N 35 120.008 121.325 -1.317 1
1 409 . 11 1 1 A 36 36 SER H H 36 8.785 8.845 -0.060 1
1 410 . 11 1 1 A 36 36 SER HA H 36 4.587 4.882 -0.295 1
1 413 . 11 1 1 A 36 36 SER CA C 36 58.364 55.999 2.365 1
1 414 . 11 1 1 A 36 36 SER CB C 36 64.741 65.897 -1.156 1
1 415 . 11 1 1 A 36 36 SER N N 36 117.243 117.744 -0.501 1
1 416 . 11 1 1 A 37 37 SER HA H 37 4.491 4.159 0.332 1
1 419 . 11 1 1 A 37 37 SER CA C 37 60.248 61.776 -1.528 1
1 420 . 11 1 1 A 37 37 SER CB C 37 63.340 63.248 0.092 1
1 421 . 11 1 1 A 38 38 LYS HA H 38 4.155 4.042 0.113 1
1 430 . 11 1 1 A 38 38 LYS CA C 38 58.001 59.061 -1.060 1
1 431 . 11 1 1 A 38 38 LYS CB C 38 32.378 32.415 -0.037 1
1 435 . 11 1 1 A 39 39 HIS H H 39 8.245 8.248 -0.003 1
1 436 . 11 1 1 A 39 39 HIS HA H 39 4.460 4.291 0.169 1
1 441 . 11 1 1 A 39 39 HIS CA C 39 56.031 59.610 -3.579 1
1 442 . 11 1 1 A 39 39 HIS CB C 39 30.068 29.973 0.095 1
1 445 . 11 1 1 A 39 39 HIS N N 39 117.908 117.918 -0.010 1
1 446 . 11 1 1 A 40 40 ASN H H 40 7.746 7.969 -0.223 1
1 447 . 11 1 1 A 40 40 ASN HA H 40 5.176 4.680 0.496 1
1 452 . 11 1 1 A 40 40 ASN C C 40 176.114 174.933 1.181 1
1 453 . 11 1 1 A 40 40 ASN CA C 40 54.102 54.154 -0.052 1
1 454 . 11 1 1 A 40 40 ASN CB C 40 37.123 38.962 -1.839 1
1 455 . 11 1 1 A 40 40 ASN N N 40 121.018 117.529 3.489 1
1 457 . 11 1 1 A 41 41 SER H H 41 8.492 8.209 0.283 1
1 458 . 11 1 1 A 41 41 SER HA H 41 4.866 5.338 -0.472 1
1 461 . 11 1 1 A 41 41 SER C C 41 172.479 172.591 -0.112 1
1 462 . 11 1 1 A 41 41 SER CA C 41 57.145 56.179 0.966 1
1 463 . 11 1 1 A 41 41 SER CB C 41 66.057 66.355 -0.298 1
1 464 . 11 1 1 A 41 41 SER N N 41 115.675 112.802 2.873 1
1 465 . 11 1 1 A 42 42 TRP H H 42 8.604 9.070 -0.466 1
1 466 . 11 1 1 A 42 42 TRP HA H 42 4.980 5.608 -0.628 1
1 475 . 11 1 1 A 42 42 TRP C C 42 177.025 175.781 1.244 1
1 476 . 11 1 1 A 42 42 TRP CA C 42 56.477 55.846 0.631 1
1 477 . 11 1 1 A 42 42 TRP CB C 42 29.625 30.684 -1.059 1
1 483 . 11 1 1 A 42 42 TRP N N 42 123.109 122.618 0.491 1
1 485 . 11 1 1 A 43 43 GLU H H 43 9.916 8.861 1.055 1
1 486 . 11 1 1 A 43 43 GLU HA H 43 5.225 4.880 0.345 1
1 491 . 11 1 1 A 43 43 GLU C C 43 174.192 174.109 0.083 1
1 492 . 11 1 1 A 43 43 GLU CA C 43 52.230 53.148 -0.918 1
1 493 . 11 1 1 A 43 43 GLU CB C 43 32.537 30.969 1.568 1
1 495 . 11 1 1 A 43 43 GLU N N 43 125.182 124.310 0.872 1
1 496 . 11 1 1 A 44 44 PRO HA H 44 4.934 5.028 -0.094 1
1 503 . 11 1 1 A 44 44 PRO C C 44 177.782 177.893 -0.111 1
1 504 . 11 1 1 A 44 44 PRO CA C 44 62.525 62.669 -0.144 1
1 505 . 11 1 1 A 44 44 PRO CB C 44 32.730 32.805 -0.075 1
1 508 . 11 1 1 A 45 45 GLU H H 45 8.637 8.854 -0.217 1
1 509 . 11 1 1 A 45 45 GLU HA H 45 3.965 4.132 -0.167 1
1 514 . 11 1 1 A 45 45 GLU C C 45 177.990 178.592 -0.602 1
1 515 . 11 1 1 A 45 45 GLU CA C 45 60.293 59.744 0.549 1
1 516 . 11 1 1 A 45 45 GLU CB C 45 30.235 29.712 0.523 1
1 518 . 11 1 1 A 45 45 GLU N N 45 120.441 123.852 -3.411 1
1 519 . 11 1 1 A 46 46 GLU H H 46 9.698 8.713 0.985 1
1 520 . 11 1 1 A 46 46 GLU HA H 46 4.243 4.094 0.149 1
1 525 . 11 1 1 A 46 46 GLU C C 46 176.547 178.144 -1.597 1
1 526 . 11 1 1 A 46 46 GLU CA C 46 58.693 59.183 -0.490 1
1 527 . 11 1 1 A 46 46 GLU CB C 46 28.448 28.743 -0.295 1
1 529 . 11 1 1 A 46 46 GLU N N 46 117.193 117.403 -0.210 1
1 530 . 11 1 1 A 47 47 ASN H H 47 8.119 8.229 -0.110 1
1 531 . 11 1 1 A 47 47 ASN HA H 47 4.922 4.726 0.196 1
1 536 . 11 1 1 A 47 47 ASN C C 47 175.293 176.028 -0.735 1
1 537 . 11 1 1 A 47 47 ASN CA C 47 52.430 54.704 -2.274 1
1 538 . 11 1 1 A 47 47 ASN CB C 47 38.439 39.092 -0.653 1
1 539 . 11 1 1 A 47 47 ASN N N 47 118.023 116.275 1.748 1
1 541 . 11 1 1 A 48 48 ILE H H 48 7.695 7.410 0.285 1
1 542 . 11 1 1 A 48 48 ILE HA H 48 4.075 4.275 -0.200 1
1 552 . 11 1 1 A 48 48 ILE C C 48 175.029 175.546 -0.517 1
1 553 . 11 1 1 A 48 48 ILE CA C 48 59.749 61.637 -1.888 1
1 554 . 11 1 1 A 48 48 ILE CB C 48 35.109 36.927 -1.818 1
1 558 . 11 1 1 A 48 48 ILE N N 48 121.906 120.134 1.772 1
1 559 . 11 1 1 A 49 49 LEU H H 49 8.137 8.501 -0.364 1
1 560 . 11 1 1 A 49 49 LEU HA H 49 4.286 4.338 -0.052 1
1 570 . 11 1 1 A 49 49 LEU C C 49 176.808 177.024 -0.216 1
1 571 . 11 1 1 A 49 49 LEU CA C 49 55.748 56.564 -0.816 1
1 572 . 11 1 1 A 49 49 LEU CB C 49 42.088 43.082 -0.994 1
1 576 . 11 1 1 A 49 49 LEU N N 49 125.062 129.355 -4.293 1
1 577 . 11 1 1 A 50 50 ASP H H 50 7.284 7.848 -0.564 1
1 578 . 11 1 1 A 50 50 ASP HA H 50 5.077 4.833 0.244 1
1 581 . 11 1 1 A 50 50 ASP C C 50 174.968 175.865 -0.897 1
1 582 . 11 1 1 A 50 50 ASP CA C 50 50.443 51.987 -1.544 1
1 583 . 11 1 1 A 50 50 ASP CB C 50 41.822 40.892 0.930 1
1 584 . 11 1 1 A 50 50 ASP N N 50 118.019 118.367 -0.348 1
1 585 . 11 1 1 A 51 51 PRO HA H 51 4.258 4.297 -0.039 1
1 592 . 11 1 1 A 51 51 PRO C C 51 179.037 178.692 0.345 1
1 593 . 11 1 1 A 51 51 PRO CA C 51 64.372 64.793 -0.421 1
1 594 . 11 1 1 A 51 51 PRO CB C 51 32.382 32.119 0.263 1
1 597 . 11 1 1 A 52 52 ARG H H 52 8.253 8.444 -0.191 1
1 598 . 11 1 1 A 52 52 ARG HA H 52 3.995 4.066 -0.071 1
1 605 . 11 1 1 A 52 52 ARG C C 52 179.774 179.034 0.740 1
1 606 . 11 1 1 A 52 52 ARG CA C 52 59.255 59.187 0.068 1
1 607 . 11 1 1 A 52 52 ARG CB C 52 29.608 29.884 -0.276 1
1 610 . 11 1 1 A 52 52 ARG N N 52 117.657 118.493 -0.836 1
1 611 . 11 1 1 A 53 53 LEU H H 53 7.576 7.903 -0.327 1
1 612 . 11 1 1 A 53 53 LEU HA H 53 4.043 3.938 0.105 1
1 622 . 11 1 1 A 53 53 LEU C C 53 180.197 178.737 1.460 1
1 623 . 11 1 1 A 53 53 LEU CA C 53 57.620 57.818 -0.198 1
1 624 . 11 1 1 A 53 53 LEU CB C 53 42.080 41.630 0.450 1
1 628 . 11 1 1 A 53 53 LEU N N 53 118.887 120.236 -1.349 1
1 629 . 11 1 1 A 54 54 LEU H H 54 7.185 8.136 -0.951 1
1 630 . 11 1 1 A 54 54 LEU HA H 54 3.966 3.689 0.277 1
1 640 . 11 1 1 A 54 54 LEU C C 54 178.631 179.027 -0.396 1
1 641 . 11 1 1 A 54 54 LEU CA C 54 57.549 57.942 -0.393 1
1 642 . 11 1 1 A 54 54 LEU CB C 54 41.646 41.739 -0.093 1
1 646 . 11 1 1 A 54 54 LEU N N 54 119.814 117.687 2.127 1
1 647 . 11 1 1 A 55 55 LEU H H 55 7.791 8.341 -0.550 1
1 648 . 11 1 1 A 55 55 LEU HA H 55 4.132 3.877 0.255 1
1 658 . 11 1 1 A 55 55 LEU C C 55 179.501 178.961 0.540 1
1 659 . 11 1 1 A 55 55 LEU CA C 55 58.007 58.354 -0.347 1
1 660 . 11 1 1 A 55 55 LEU CB C 55 41.523 41.480 0.043 1
1 664 . 11 1 1 A 55 55 LEU N N 55 120.290 118.077 2.213 1
1 665 . 11 1 1 A 56 56 ALA H H 56 7.771 8.123 -0.352 1
1 666 . 11 1 1 A 56 56 ALA HA H 56 4.145 4.085 0.060 1
1 670 . 11 1 1 A 56 56 ALA C C 56 180.157 180.142 0.015 1
1 671 . 11 1 1 A 56 56 ALA CA C 56 54.963 55.330 -0.367 1
1 672 . 11 1 1 A 56 56 ALA CB C 56 18.232 18.701 -0.469 1
1 673 . 11 1 1 A 56 56 ALA N N 56 119.874 120.374 -0.500 1
1 674 . 11 1 1 A 57 57 PHE H H 57 7.526 7.744 -0.218 1
1 675 . 11 1 1 A 57 57 PHE HA H 57 4.451 4.158 0.293 1
1 683 . 11 1 1 A 57 57 PHE C C 57 176.838 177.468 -0.630 1
1 684 . 11 1 1 A 57 57 PHE CA C 57 60.822 61.173 -0.351 1
1 685 . 11 1 1 A 57 57 PHE CB C 57 39.878 38.957 0.921 1
1 691 . 11 1 1 A 57 57 PHE N N 57 119.210 119.450 -0.240 1
1 692 . 11 1 1 A 58 58 GLN H H 58 8.415 8.443 -0.028 1
1 693 . 11 1 1 A 58 58 GLN HA H 58 3.874 4.132 -0.258 1
1 700 . 11 1 1 A 58 58 GLN C C 58 178.639 177.631 1.008 1
1 701 . 11 1 1 A 58 58 GLN CA C 58 58.499 58.994 -0.495 1
1 702 . 11 1 1 A 58 58 GLN CB C 58 28.325 28.360 -0.035 1
1 704 . 11 1 1 A 58 58 GLN N N 58 118.702 117.163 1.539 1
1 706 . 11 1 1 A 59 59 LYS H H 59 7.918 7.685 0.233 1
1 707 . 11 1 1 A 59 59 LYS HA H 59 4.121 4.084 0.037 1
1 716 . 11 1 1 A 59 59 LYS C C 59 178.269 179.356 -1.087 1
1 717 . 11 1 1 A 59 59 LYS CA C 59 58.921 59.041 -0.120 1
1 718 . 11 1 1 A 59 59 LYS CB C 59 32.437 32.192 0.245 1
1 722 . 11 1 1 A 59 59 LYS N N 59 119.131 120.444 -1.313 1
1 723 . 11 1 1 A 60 60 LYS H H 60 7.595 8.092 -0.497 1
1 724 . 11 1 1 A 60 60 LYS HA H 60 4.133 4.024 0.109 1
1 733 . 11 1 1 A 60 60 LYS C C 60 178.836 179.366 -0.530 1
1 734 . 11 1 1 A 60 60 LYS CA C 60 58.323 59.803 -1.480 1
1 735 . 11 1 1 A 60 60 LYS CB C 60 32.150 32.357 -0.207 1
1 739 . 11 1 1 A 60 60 LYS N N 60 120.016 119.145 0.871 1
1 740 . 11 1 1 A 61 61 GLU H H 61 8.095 8.035 0.060 1
1 741 . 11 1 1 A 61 61 GLU HA H 61 3.936 3.761 0.175 1
1 746 . 11 1 1 A 61 61 GLU C C 61 178.233 178.899 -0.666 1
1 747 . 11 1 1 A 61 61 GLU CA C 61 58.605 59.301 -0.696 1
1 748 . 11 1 1 A 61 61 GLU CB C 61 29.806 29.343 0.463 1
1 750 . 11 1 1 A 61 61 GLU N N 61 119.560 119.623 -0.063 1
1 751 . 11 1 1 A 62 62 HIS H H 62 8.037 7.996 0.041 1
1 752 . 11 1 1 A 62 62 HIS HA H 62 4.517 4.146 0.371 1
1 757 . 11 1 1 A 62 62 HIS C C 62 176.449 176.582 -0.133 1
1 758 . 11 1 1 A 62 62 HIS CA C 62 57.740 59.833 -2.093 1
1 759 . 11 1 1 A 62 62 HIS CB C 62 29.928 29.664 0.264 1
1 762 . 11 1 1 A 62 62 HIS N N 62 118.437 119.819 -1.382 1
1 763 . 11 1 1 A 63 63 GLU H H 63 8.010 8.438 -0.428 1
1 764 . 11 1 1 A 63 63 GLU HA H 63 4.096 3.949 0.147 1
1 769 . 11 1 1 A 63 63 GLU C C 63 177.485 179.335 -1.850 1
1 770 . 11 1 1 A 63 63 GLU CA C 63 57.954 59.678 -1.724 1
1 771 . 11 1 1 A 63 63 GLU CB C 63 29.783 29.286 0.497 1
1 773 . 11 1 1 A 63 63 GLU N N 63 119.622 117.254 2.368 1
1 774 . 11 1 1 A 64 64 LYS H H 64 7.874 8.131 -0.257 1
1 775 . 11 1 1 A 64 64 LYS HA H 64 4.213 4.055 0.158 1
1 784 . 11 1 1 A 64 64 LYS C C 64 177.341 177.661 -0.320 1
1 785 . 11 1 1 A 64 64 LYS CA C 64 57.479 59.716 -2.237 1
1 786 . 11 1 1 A 64 64 LYS CB C 64 32.684 32.144 0.540 1
1 790 . 11 1 1 A 64 64 LYS N N 64 119.617 119.808 -0.191 1
1 791 . 11 1 1 A 65 65 GLU H H 65 8.044 7.827 0.217 1
1 792 . 11 1 1 A 65 65 GLU HA H 65 4.236 4.403 -0.167 1
1 797 . 11 1 1 A 65 65 GLU C C 65 177.451 175.787 1.664 1
1 798 . 11 1 1 A 65 65 GLU CA C 65 57.426 56.676 0.750 1
1 799 . 11 1 1 A 65 65 GLU CB C 65 29.971 30.978 -1.007 1
1 801 . 11 1 1 A 65 65 GLU N N 65 120.606 118.074 2.532 1
1 802 . 11 1 1 A 66 66 VAL H H 66 8.028 8.472 -0.444 1
1 803 . 11 1 1 A 66 66 VAL HA H 66 4.035 4.535 -0.500 1
1 811 . 11 1 1 A 66 66 VAL C C 66 176.848 173.193 3.655 1
1 812 . 11 1 1 A 66 66 VAL CA C 66 63.160 60.241 2.919 1
1 813 . 11 1 1 A 66 66 VAL CB C 66 32.396 34.610 -2.214 1
1 816 . 11 1 1 A 66 66 VAL N N 66 119.834 120.815 -0.981 1
1 817 . 11 1 1 A 67 67 GLN H H 67 8.265 8.710 -0.445 1
1 818 . 11 1 1 A 67 67 GLN HA H 67 4.313 4.838 -0.525 1
1 825 . 11 1 1 A 67 67 GLN C C 67 176.073 175.280 0.793 1
1 826 . 11 1 1 A 67 67 GLN CA C 67 56.283 53.574 2.709 1
1 827 . 11 1 1 A 67 67 GLN CB C 67 29.216 32.808 -3.592 1
1 829 . 11 1 1 A 67 67 GLN N N 67 122.698 127.278 -4.580 1
1 831 . 11 1 1 A 68 68 ASN H H 68 8.391 8.583 -0.192 1
1 832 . 11 1 1 A 68 68 ASN HA H 68 4.782 4.586 0.196 1
1 837 . 11 1 1 A 68 68 ASN C C 68 175.242 174.881 0.361 1
1 838 . 11 1 1 A 68 68 ASN CA C 68 53.487 53.788 -0.301 1
1 839 . 11 1 1 A 68 68 ASN CB C 68 39.138 38.571 0.567 1
1 840 . 11 1 1 A 68 68 ASN N N 68 119.609 120.934 -1.325 1
1 842 . 11 1 1 A 69 69 SER H H 69 8.272 8.782 -0.510 1
1 843 . 11 1 1 A 69 69 SER HA H 69 4.501 5.177 -0.676 1
1 846 . 11 1 1 A 69 69 SER C C 69 174.630 174.005 0.625 1
1 847 . 11 1 1 A 69 69 SER CA C 69 58.587 56.693 1.894 1
1 848 . 11 1 1 A 69 69 SER CB C 69 64.174 64.901 -0.727 1
1 849 . 11 1 1 A 69 69 SER N N 69 116.106 118.573 -2.467 1
1 850 . 11 1 1 A 70 70 GLY H H 70 8.251 8.478 -0.227 1
1 851 . 11 1 1 A 70 70 GLY HA2 H 70 4.175 4.221 -0.046 1
1 852 . 11 1 1 A 70 70 GLY HA3 H 70 4.144 4.222 -0.078 1
1 853 . 11 1 1 A 70 70 GLY C C 70 171.843 171.914 -0.071 1
1 854 . 11 1 1 A 70 70 GLY CA C 70 44.709 45.181 -0.472 1
1 855 . 11 1 1 A 70 70 GLY N N 70 110.658 111.502 -0.844 1
1 856 . 11 1 1 A 71 71 PRO HA H 71 4.501 4.739 -0.238 1
1 863 . 11 1 1 A 71 71 PRO C C 71 177.457 175.087 2.370 1
1 864 . 11 1 1 A 71 71 PRO CA C 71 63.300 62.492 0.808 1
1 865 . 11 1 1 A 71 71 PRO CB C 71 32.008 30.105 1.903 1
1 868 . 11 1 1 A 72 72 SER H H 72 8.536 8.458 0.078 1
1 869 . 11 1 1 A 72 72 SER CA C 72 58.429 57.045 1.384 1
1 1 . 12 1 1 A 6 6 SER HA H 6 4.501 5.409 -0.908 1
1 4 . 12 1 1 A 6 6 SER C C 6 175.089 173.128 1.961 1
1 5 . 12 1 1 A 6 6 SER CA C 6 58.675 56.558 2.117 1
1 6 . 12 1 1 A 6 6 SER CB C 6 63.909 66.356 -2.447 1
1 7 . 12 1 1 A 7 7 GLY H H 7 8.374 8.436 -0.062 1
1 8 . 12 1 1 A 7 7 GLY HA2 H 7 3.966 4.225 -0.259 1
1 9 . 12 1 1 A 7 7 GLY HA3 H 7 3.966 4.238 -0.272 1
1 10 . 12 1 1 A 7 7 GLY C C 7 174.147 173.884 0.263 1
1 11 . 12 1 1 A 7 7 GLY CA C 7 45.359 45.020 0.339 1
1 12 . 12 1 1 A 7 7 GLY N N 7 110.638 113.442 -2.804 1
1 13 . 12 1 1 A 8 8 GLU H H 8 8.255 8.904 -0.649 1
1 14 . 12 1 1 A 8 8 GLU HA H 8 4.273 4.494 -0.221 1
1 19 . 12 1 1 A 8 8 GLU C C 8 176.471 175.235 1.236 1
1 20 . 12 1 1 A 8 8 GLU CA C 8 56.582 57.775 -1.193 1
1 21 . 12 1 1 A 8 8 GLU CB C 8 30.299 31.690 -1.391 1
1 23 . 12 1 1 A 8 8 GLU N N 8 120.542 120.450 0.092 1
1 24 . 12 1 1 A 9 9 GLN H H 9 8.397 8.166 0.231 1
1 25 . 12 1 1 A 9 9 GLN HA H 9 4.332 4.591 -0.259 1
1 32 . 12 1 1 A 9 9 GLN C C 9 175.365 175.485 -0.120 1
1 33 . 12 1 1 A 9 9 GLN CA C 9 55.668 54.605 1.063 1
1 34 . 12 1 1 A 9 9 GLN CB C 9 29.560 28.580 0.980 1
1 36 . 12 1 1 A 9 9 GLN N N 9 121.410 118.700 2.710 1
1 38 . 12 1 1 A 10 10 VAL H H 10 8.104 8.713 -0.609 1
1 39 . 12 1 1 A 10 10 VAL HA H 10 4.054 4.178 -0.124 1
1 47 . 12 1 1 A 10 10 VAL C C 10 175.736 175.581 0.155 1
1 48 . 12 1 1 A 10 10 VAL CA C 10 62.334 63.037 -0.703 1
1 49 . 12 1 1 A 10 10 VAL CB C 10 33.136 32.633 0.503 1
1 52 . 12 1 1 A 10 10 VAL N N 10 121.590 127.282 -5.692 1
1 53 . 12 1 1 A 11 11 PHE H H 11 8.491 9.221 -0.730 1
1 54 . 12 1 1 A 11 11 PHE HA H 11 4.696 4.881 -0.185 1
1 62 . 12 1 1 A 11 11 PHE C C 11 174.477 174.993 -0.516 1
1 63 . 12 1 1 A 11 11 PHE CA C 11 57.444 57.156 0.288 1
1 64 . 12 1 1 A 11 11 PHE CB C 11 39.467 40.305 -0.838 1
1 70 . 12 1 1 A 11 11 PHE N N 11 125.302 129.081 -3.779 1
1 71 . 12 1 1 A 12 12 ALA H H 12 9.203 9.135 0.068 1
1 72 . 12 1 1 A 12 12 ALA HA H 12 4.866 5.059 -0.193 1
1 76 . 12 1 1 A 12 12 ALA C C 12 176.813 176.290 0.523 1
1 77 . 12 1 1 A 12 12 ALA CA C 12 51.252 50.959 0.293 1
1 78 . 12 1 1 A 12 12 ALA CB C 12 20.719 20.251 0.468 1
1 79 . 12 1 1 A 12 12 ALA N N 12 127.219 127.022 0.197 1
1 80 . 12 1 1 A 13 13 ALA H H 13 8.891 8.994 -0.103 1
1 81 . 12 1 1 A 13 13 ALA HA H 13 3.874 3.812 0.062 1
1 85 . 12 1 1 A 13 13 ALA C C 13 176.194 177.263 -1.069 1
1 86 . 12 1 1 A 13 13 ALA CA C 13 53.380 51.419 1.961 1
1 87 . 12 1 1 A 13 13 ALA CB C 13 19.448 17.982 1.466 1
1 88 . 12 1 1 A 13 13 ALA N N 13 126.618 128.113 -1.495 1
1 89 . 12 1 1 A 14 14 GLU H H 14 9.604 8.854 0.750 1
1 90 . 12 1 1 A 14 14 GLU HA H 14 4.336 4.005 0.331 1
1 95 . 12 1 1 A 14 14 GLU C C 14 176.093 176.003 0.090 1
1 96 . 12 1 1 A 14 14 GLU CA C 14 57.356 59.579 -2.223 1
1 97 . 12 1 1 A 14 14 GLU CB C 14 32.273 30.222 2.051 1
1 99 . 12 1 1 A 14 14 GLU N N 14 123.285 124.035 -0.750 1
1 100 . 12 1 1 A 15 15 CYS H H 15 7.655 7.458 0.197 1
1 101 . 12 1 1 A 15 15 CYS HA H 15 4.527 4.534 -0.007 1
1 104 . 12 1 1 A 15 15 CYS C C 15 171.003 172.629 -1.626 1
1 105 . 12 1 1 A 15 15 CYS CA C 15 56.674 58.285 -1.611 1
1 106 . 12 1 1 A 15 15 CYS CB C 15 29.765 30.727 -0.962 1
1 107 . 12 1 1 A 15 15 CYS N N 15 110.806 116.259 -5.453 1
1 108 . 12 1 1 A 16 16 ILE H H 16 8.316 8.640 -0.324 1
1 109 . 12 1 1 A 16 16 ILE HA H 16 4.344 3.959 0.385 1
1 119 . 12 1 1 A 16 16 ILE C C 16 175.432 175.358 0.074 1
1 120 . 12 1 1 A 16 16 ILE CA C 16 60.047 61.598 -1.551 1
1 121 . 12 1 1 A 16 16 ILE CB C 16 39.308 37.621 1.687 1
1 125 . 12 1 1 A 16 16 ILE N N 16 121.665 124.272 -2.607 1
1 126 . 12 1 1 A 17 17 LEU H H 17 9.207 9.143 0.064 1
1 127 . 12 1 1 A 17 17 LEU HA H 17 4.425 4.404 0.021 1
1 137 . 12 1 1 A 17 17 LEU C C 17 177.573 176.280 1.293 1
1 138 . 12 1 1 A 17 17 LEU CA C 17 55.825 55.775 0.050 1
1 139 . 12 1 1 A 17 17 LEU CB C 17 44.400 42.551 1.849 1
1 143 . 12 1 1 A 17 17 LEU N N 17 124.728 129.331 -4.603 1
1 144 . 12 1 1 A 18 18 SER H H 18 7.082 7.297 -0.215 1
1 145 . 12 1 1 A 18 18 SER HA H 18 4.778 4.787 -0.009 1
1 148 . 12 1 1 A 18 18 SER C C 18 171.685 172.258 -0.573 1
1 149 . 12 1 1 A 18 18 SER CA C 18 57.075 56.664 0.411 1
1 150 . 12 1 1 A 18 18 SER CB C 18 64.550 65.246 -0.696 1
1 151 . 12 1 1 A 18 18 SER N N 18 110.441 109.564 0.877 1
1 152 . 12 1 1 A 19 19 LYS H H 19 8.745 9.189 -0.444 1
1 153 . 12 1 1 A 19 19 LYS HA H 19 5.836 5.596 0.240 1
1 162 . 12 1 1 A 19 19 LYS C C 19 174.068 174.656 -0.588 1
1 163 . 12 1 1 A 19 19 LYS CA C 19 54.770 54.541 0.229 1
1 164 . 12 1 1 A 19 19 LYS CB C 19 37.493 37.387 0.106 1
1 168 . 12 1 1 A 19 19 LYS N N 19 120.354 119.281 1.073 1
1 169 . 12 1 1 A 20 20 ARG H H 20 9.264 8.702 0.562 1
1 170 . 12 1 1 A 20 20 ARG HA H 20 4.703 5.125 -0.422 1
1 178 . 12 1 1 A 20 20 ARG C C 20 171.618 174.030 -2.412 1
1 179 . 12 1 1 A 20 20 ARG CA C 20 54.471 54.737 -0.266 1
1 180 . 12 1 1 A 20 20 ARG CB C 20 32.578 34.062 -1.484 1
1 183 . 12 1 1 A 20 20 ARG N N 20 119.809 119.023 0.786 1
1 185 . 12 1 1 A 21 21 LEU H H 21 8.286 8.519 -0.233 1
1 186 . 12 1 1 A 21 21 LEU HA H 21 4.927 5.212 -0.285 1
1 196 . 12 1 1 A 21 21 LEU C C 21 176.880 176.025 0.855 1
1 197 . 12 1 1 A 21 21 LEU CA C 21 53.433 54.294 -0.861 1
1 198 . 12 1 1 A 21 21 LEU CB C 21 43.905 45.450 -1.545 1
1 202 . 12 1 1 A 21 21 LEU N N 21 121.552 121.795 -0.243 1
1 203 . 12 1 1 A 22 22 ARG H H 22 9.146 8.419 0.727 1
1 204 . 12 1 1 A 22 22 ARG HA H 22 4.434 4.439 -0.005 1
1 211 . 12 1 1 A 22 22 ARG C C 22 175.379 175.214 0.165 1
1 212 . 12 1 1 A 22 22 ARG CA C 22 55.468 57.301 -1.833 1
1 213 . 12 1 1 A 22 22 ARG CB C 22 33.049 32.704 0.345 1
1 216 . 12 1 1 A 22 22 ARG N N 22 126.472 127.247 -0.775 1
1 217 . 12 1 1 A 23 23 LYS H H 23 9.505 7.975 1.530 1
1 218 . 12 1 1 A 23 23 LYS HA H 23 3.839 4.450 -0.611 1
1 227 . 12 1 1 A 23 23 LYS C C 23 176.521 176.891 -0.370 1
1 228 . 12 1 1 A 23 23 LYS CA C 23 57.127 54.949 2.178 1
1 229 . 12 1 1 A 23 23 LYS CB C 23 29.988 33.020 -3.032 1
1 233 . 12 1 1 A 24 24 GLY H H 24 8.438 8.621 -0.183 1
1 234 . 12 1 1 A 24 24 GLY HA2 H 24 4.124 3.900 0.224 1
1 235 . 12 1 1 A 24 24 GLY HA3 H 24 3.517 3.902 -0.385 1
1 236 . 12 1 1 A 24 24 GLY C C 24 173.338 173.478 -0.140 1
1 237 . 12 1 1 A 24 24 GLY CA C 24 45.481 46.676 -1.195 1
1 238 . 12 1 1 A 24 24 GLY N N 24 103.048 114.178 -11.130 1
1 239 . 12 1 1 A 25 25 LYS H H 25 7.785 7.564 0.221 1
1 240 . 12 1 1 A 25 25 LYS HA H 25 4.635 4.964 -0.329 1
1 249 . 12 1 1 A 25 25 LYS C C 25 174.733 174.604 0.129 1
1 250 . 12 1 1 A 25 25 LYS CA C 25 54.365 54.804 -0.439 1
1 251 . 12 1 1 A 25 25 LYS CB C 25 34.616 35.005 -0.389 1
1 255 . 12 1 1 A 25 25 LYS N N 25 121.463 115.568 5.895 1
1 256 . 12 1 1 A 26 26 LEU H H 26 8.555 8.774 -0.219 1
1 257 . 12 1 1 A 26 26 LEU HA H 26 4.763 5.033 -0.270 1
1 267 . 12 1 1 A 26 26 LEU C C 26 176.596 174.835 1.761 1
1 268 . 12 1 1 A 26 26 LEU CA C 26 54.999 53.832 1.167 1
1 269 . 12 1 1 A 26 26 LEU CB C 26 43.167 43.826 -0.659 1
1 273 . 12 1 1 A 26 26 LEU N N 26 124.731 126.211 -1.480 1
1 274 . 12 1 1 A 27 27 GLU H H 27 8.944 9.200 -0.256 1
1 275 . 12 1 1 A 27 27 GLU HA H 27 4.923 4.932 -0.009 1
1 280 . 12 1 1 A 27 27 GLU C C 27 174.422 174.942 -0.520 1
1 281 . 12 1 1 A 27 27 GLU CA C 27 53.874 54.693 -0.819 1
1 282 . 12 1 1 A 27 27 GLU CB C 27 35.191 32.755 2.436 1
1 284 . 12 1 1 A 27 27 GLU N N 27 122.189 126.266 -4.077 1
1 285 . 12 1 1 A 28 28 TYR H H 28 9.423 9.574 -0.151 1
1 286 . 12 1 1 A 28 28 TYR HA H 28 5.265 5.113 0.152 1
1 293 . 12 1 1 A 28 28 TYR C C 28 174.020 174.689 -0.669 1
1 294 . 12 1 1 A 28 28 TYR CA C 28 56.511 56.721 -0.210 1
1 295 . 12 1 1 A 28 28 TYR CB C 28 41.646 40.695 0.951 1
1 300 . 12 1 1 A 28 28 TYR N N 28 118.361 122.710 -4.349 1
1 301 . 12 1 1 A 29 29 LEU H H 29 7.779 8.385 -0.606 1
1 302 . 12 1 1 A 29 29 LEU HA H 29 3.634 3.242 0.392 1
1 312 . 12 1 1 A 29 29 LEU C C 29 173.992 174.605 -0.613 1
1 313 . 12 1 1 A 29 29 LEU CA C 29 53.680 53.960 -0.280 1
1 314 . 12 1 1 A 29 29 LEU CB C 29 40.115 41.294 -1.179 1
1 318 . 12 1 1 A 29 29 LEU N N 29 127.541 126.408 1.133 1
1 319 . 12 1 1 A 30 30 VAL H H 30 8.936 8.115 0.821 1
1 320 . 12 1 1 A 30 30 VAL HA H 30 3.915 3.729 0.186 1
1 328 . 12 1 1 A 30 30 VAL C C 30 173.840 174.520 -0.680 1
1 329 . 12 1 1 A 30 30 VAL CA C 30 62.106 62.377 -0.271 1
1 330 . 12 1 1 A 30 30 VAL CB C 30 34.458 31.944 2.514 1
1 333 . 12 1 1 A 30 30 VAL N N 30 130.095 127.544 2.551 1
1 334 . 12 1 1 A 31 31 LYS H H 31 7.596 8.085 -0.489 1
1 335 . 12 1 1 A 31 31 LYS HA H 31 4.525 4.554 -0.029 1
1 344 . 12 1 1 A 31 31 LYS C C 31 175.379 174.404 0.975 1
1 345 . 12 1 1 A 31 31 LYS CA C 31 53.574 54.432 -0.858 1
1 346 . 12 1 1 A 31 31 LYS CB C 31 34.848 34.566 0.282 1
1 350 . 12 1 1 A 31 31 LYS N N 31 123.992 126.985 -2.993 1
1 351 . 12 1 1 A 32 32 TRP H H 32 9.368 8.632 0.736 1
1 352 . 12 1 1 A 32 32 TRP HA H 32 4.816 5.470 -0.654 1
1 361 . 12 1 1 A 32 32 TRP C C 32 176.830 176.658 0.172 1
1 362 . 12 1 1 A 32 32 TRP CA C 32 56.002 56.036 -0.034 1
1 363 . 12 1 1 A 32 32 TRP CB C 32 31.163 30.438 0.725 1
1 369 . 12 1 1 A 32 32 TRP N N 32 131.754 128.358 3.396 1
1 371 . 12 1 1 A 33 33 ARG H H 33 9.455 8.738 0.717 1
1 372 . 12 1 1 A 33 33 ARG HA H 33 4.345 4.188 0.157 1
1 379 . 12 1 1 A 33 33 ARG C C 33 178.092 176.680 1.412 1
1 380 . 12 1 1 A 33 33 ARG CA C 33 57.590 56.395 1.195 1
1 381 . 12 1 1 A 33 33 ARG CB C 33 30.400 30.865 -0.465 1
1 384 . 12 1 1 A 33 33 ARG N N 33 124.374 124.690 -0.316 1
1 385 . 12 1 1 A 34 34 GLY H H 34 9.319 8.847 0.472 1
1 386 . 12 1 1 A 34 34 GLY HA2 H 34 3.642 3.633 0.009 1
1 387 . 12 1 1 A 34 34 GLY HA3 H 34 3.976 3.806 0.170 1
1 388 . 12 1 1 A 34 34 GLY CA C 34 45.636 45.009 0.627 1
1 389 . 12 1 1 A 34 34 GLY N N 34 114.254 110.062 4.192 1
1 390 . 12 1 1 A 35 35 TRP H H 35 7.725 7.388 0.337 1
1 391 . 12 1 1 A 35 35 TRP HA H 35 4.785 4.759 0.026 1
1 400 . 12 1 1 A 35 35 TRP CA C 35 55.641 57.070 -1.429 1
1 401 . 12 1 1 A 35 35 TRP CB C 35 31.352 31.337 0.015 1
1 407 . 12 1 1 A 35 35 TRP N N 35 120.008 121.473 -1.465 1
1 409 . 12 1 1 A 36 36 SER H H 36 8.785 8.819 -0.034 1
1 410 . 12 1 1 A 36 36 SER HA H 36 4.587 4.653 -0.066 1
1 413 . 12 1 1 A 36 36 SER CA C 36 58.364 58.605 -0.241 1
1 414 . 12 1 1 A 36 36 SER CB C 36 64.741 64.015 0.726 1
1 415 . 12 1 1 A 36 36 SER N N 36 117.243 118.537 -1.294 1
1 416 . 12 1 1 A 37 37 SER HA H 37 4.491 4.489 0.002 1
1 419 . 12 1 1 A 37 37 SER CA C 37 60.248 58.862 1.386 1
1 420 . 12 1 1 A 37 37 SER CB C 37 63.340 62.744 0.596 1
1 421 . 12 1 1 A 38 38 LYS HA H 38 4.155 4.676 -0.521 1
1 430 . 12 1 1 A 38 38 LYS CA C 38 58.001 57.379 0.622 1
1 431 . 12 1 1 A 38 38 LYS CB C 38 32.378 35.349 -2.971 1
1 435 . 12 1 1 A 39 39 HIS H H 39 8.245 8.155 0.090 1
1 436 . 12 1 1 A 39 39 HIS HA H 39 4.460 4.749 -0.289 1
1 441 . 12 1 1 A 39 39 HIS CA C 39 56.031 54.397 1.634 1
1 442 . 12 1 1 A 39 39 HIS CB C 39 30.068 27.567 2.501 1
1 445 . 12 1 1 A 39 39 HIS N N 39 117.908 116.252 1.656 1
1 446 . 12 1 1 A 40 40 ASN H H 40 7.746 7.680 0.066 1
1 447 . 12 1 1 A 40 40 ASN HA H 40 5.176 5.348 -0.172 1
1 452 . 12 1 1 A 40 40 ASN C C 40 176.114 174.754 1.360 1
1 453 . 12 1 1 A 40 40 ASN CA C 40 54.102 52.202 1.900 1
1 454 . 12 1 1 A 40 40 ASN CB C 40 37.123 40.154 -3.031 1
1 455 . 12 1 1 A 40 40 ASN N N 40 121.018 118.717 2.301 1
1 457 . 12 1 1 A 41 41 SER H H 41 8.492 8.197 0.295 1
1 458 . 12 1 1 A 41 41 SER HA H 41 4.866 5.352 -0.486 1
1 461 . 12 1 1 A 41 41 SER C C 41 172.479 173.150 -0.671 1
1 462 . 12 1 1 A 41 41 SER CA C 41 57.145 57.179 -0.034 1
1 463 . 12 1 1 A 41 41 SER CB C 41 66.057 66.019 0.038 1
1 464 . 12 1 1 A 41 41 SER N N 41 115.675 114.534 1.141 1
1 465 . 12 1 1 A 42 42 TRP H H 42 8.604 9.047 -0.443 1
1 466 . 12 1 1 A 42 42 TRP HA H 42 4.980 5.369 -0.389 1
1 475 . 12 1 1 A 42 42 TRP C C 42 177.025 175.541 1.484 1
1 476 . 12 1 1 A 42 42 TRP CA C 42 56.477 55.892 0.585 1
1 477 . 12 1 1 A 42 42 TRP CB C 42 29.625 30.509 -0.884 1
1 483 . 12 1 1 A 42 42 TRP N N 42 123.109 125.173 -2.064 1
1 485 . 12 1 1 A 43 43 GLU H H 43 9.916 8.704 1.212 1
1 486 . 12 1 1 A 43 43 GLU HA H 43 5.225 4.938 0.287 1
1 491 . 12 1 1 A 43 43 GLU C C 43 174.192 174.229 -0.037 1
1 492 . 12 1 1 A 43 43 GLU CA C 43 52.230 53.208 -0.978 1
1 493 . 12 1 1 A 43 43 GLU CB C 43 32.537 30.674 1.863 1
1 495 . 12 1 1 A 43 43 GLU N N 43 125.182 124.588 0.594 1
1 496 . 12 1 1 A 44 44 PRO HA H 44 4.934 4.936 -0.002 1
1 503 . 12 1 1 A 44 44 PRO C C 44 177.782 177.946 -0.164 1
1 504 . 12 1 1 A 44 44 PRO CA C 44 62.525 62.697 -0.172 1
1 505 . 12 1 1 A 44 44 PRO CB C 44 32.730 32.801 -0.071 1
1 508 . 12 1 1 A 45 45 GLU H H 45 8.637 9.200 -0.563 1
1 509 . 12 1 1 A 45 45 GLU HA H 45 3.965 4.120 -0.155 1
1 514 . 12 1 1 A 45 45 GLU C C 45 177.990 178.555 -0.565 1
1 515 . 12 1 1 A 45 45 GLU CA C 45 60.293 59.728 0.565 1
1 516 . 12 1 1 A 45 45 GLU CB C 45 30.235 29.782 0.453 1
1 518 . 12 1 1 A 45 45 GLU N N 45 120.441 124.038 -3.597 1
1 519 . 12 1 1 A 46 46 GLU H H 46 9.698 8.674 1.024 1
1 520 . 12 1 1 A 46 46 GLU HA H 46 4.243 4.095 0.148 1
1 525 . 12 1 1 A 46 46 GLU C C 46 176.547 178.218 -1.671 1
1 526 . 12 1 1 A 46 46 GLU CA C 46 58.693 59.247 -0.554 1
1 527 . 12 1 1 A 46 46 GLU CB C 46 28.448 28.880 -0.432 1
1 529 . 12 1 1 A 46 46 GLU N N 46 117.193 117.512 -0.319 1
1 530 . 12 1 1 A 47 47 ASN H H 47 8.119 8.079 0.040 1
1 531 . 12 1 1 A 47 47 ASN HA H 47 4.922 4.707 0.215 1
1 536 . 12 1 1 A 47 47 ASN C C 47 175.293 176.419 -1.126 1
1 537 . 12 1 1 A 47 47 ASN CA C 47 52.430 55.061 -2.631 1
1 538 . 12 1 1 A 47 47 ASN CB C 47 38.439 38.919 -0.480 1
1 539 . 12 1 1 A 47 47 ASN N N 47 118.023 116.159 1.864 1
1 541 . 12 1 1 A 48 48 ILE H H 48 7.695 7.384 0.311 1
1 542 . 12 1 1 A 48 48 ILE HA H 48 4.075 4.122 -0.047 1
1 552 . 12 1 1 A 48 48 ILE C C 48 175.029 175.650 -0.621 1
1 553 . 12 1 1 A 48 48 ILE CA C 48 59.749 61.921 -2.172 1
1 554 . 12 1 1 A 48 48 ILE CB C 48 35.109 37.233 -2.124 1
1 558 . 12 1 1 A 48 48 ILE N N 48 121.906 119.742 2.164 1
1 559 . 12 1 1 A 49 49 LEU H H 49 8.137 8.628 -0.491 1
1 560 . 12 1 1 A 49 49 LEU HA H 49 4.286 4.393 -0.107 1
1 570 . 12 1 1 A 49 49 LEU C C 49 176.808 176.895 -0.087 1
1 571 . 12 1 1 A 49 49 LEU CA C 49 55.748 55.981 -0.233 1
1 572 . 12 1 1 A 49 49 LEU CB C 49 42.088 42.763 -0.675 1
1 576 . 12 1 1 A 49 49 LEU N N 49 125.062 129.586 -4.524 1
1 577 . 12 1 1 A 50 50 ASP H H 50 7.284 7.733 -0.449 1
1 578 . 12 1 1 A 50 50 ASP HA H 50 5.077 4.813 0.264 1
1 581 . 12 1 1 A 50 50 ASP C C 50 174.968 175.936 -0.968 1
1 582 . 12 1 1 A 50 50 ASP CA C 50 50.443 51.998 -1.555 1
1 583 . 12 1 1 A 50 50 ASP CB C 50 41.822 40.855 0.967 1
1 584 . 12 1 1 A 50 50 ASP N N 50 118.019 118.636 -0.617 1
1 585 . 12 1 1 A 51 51 PRO HA H 51 4.258 4.262 -0.004 1
1 592 . 12 1 1 A 51 51 PRO C C 51 179.037 178.795 0.242 1
1 593 . 12 1 1 A 51 51 PRO CA C 51 64.372 64.923 -0.551 1
1 594 . 12 1 1 A 51 51 PRO CB C 51 32.382 32.060 0.322 1
1 597 . 12 1 1 A 52 52 ARG H H 52 8.253 8.484 -0.231 1
1 598 . 12 1 1 A 52 52 ARG HA H 52 3.995 4.037 -0.042 1
1 605 . 12 1 1 A 52 52 ARG C C 52 179.774 178.753 1.021 1
1 606 . 12 1 1 A 52 52 ARG CA C 52 59.255 59.227 0.028 1
1 607 . 12 1 1 A 52 52 ARG CB C 52 29.608 29.898 -0.290 1
1 610 . 12 1 1 A 52 52 ARG N N 52 117.657 118.458 -0.801 1
1 611 . 12 1 1 A 53 53 LEU H H 53 7.576 7.940 -0.364 1
1 612 . 12 1 1 A 53 53 LEU HA H 53 4.043 3.897 0.146 1
1 622 . 12 1 1 A 53 53 LEU C C 53 180.197 178.833 1.364 1
1 623 . 12 1 1 A 53 53 LEU CA C 53 57.620 57.857 -0.237 1
1 624 . 12 1 1 A 53 53 LEU CB C 53 42.080 41.838 0.242 1
1 628 . 12 1 1 A 53 53 LEU N N 53 118.887 120.120 -1.233 1
1 629 . 12 1 1 A 54 54 LEU H H 54 7.185 8.130 -0.945 1
1 630 . 12 1 1 A 54 54 LEU HA H 54 3.966 3.704 0.262 1
1 640 . 12 1 1 A 54 54 LEU C C 54 178.631 179.067 -0.436 1
1 641 . 12 1 1 A 54 54 LEU CA C 54 57.549 57.980 -0.431 1
1 642 . 12 1 1 A 54 54 LEU CB C 54 41.646 41.823 -0.177 1
1 646 . 12 1 1 A 54 54 LEU N N 54 119.814 117.410 2.404 1
1 647 . 12 1 1 A 55 55 LEU H H 55 7.791 8.419 -0.628 1
1 648 . 12 1 1 A 55 55 LEU HA H 55 4.132 3.848 0.284 1
1 658 . 12 1 1 A 55 55 LEU C C 55 179.501 178.757 0.744 1
1 659 . 12 1 1 A 55 55 LEU CA C 55 58.007 58.256 -0.249 1
1 660 . 12 1 1 A 55 55 LEU CB C 55 41.523 41.611 -0.088 1
1 664 . 12 1 1 A 55 55 LEU N N 55 120.290 118.078 2.212 1
1 665 . 12 1 1 A 56 56 ALA H H 56 7.771 8.216 -0.445 1
1 666 . 12 1 1 A 56 56 ALA HA H 56 4.145 4.099 0.046 1
1 670 . 12 1 1 A 56 56 ALA C C 56 180.157 180.331 -0.174 1
1 671 . 12 1 1 A 56 56 ALA CA C 56 54.963 55.342 -0.379 1
1 672 . 12 1 1 A 56 56 ALA CB C 56 18.232 18.749 -0.517 1
1 673 . 12 1 1 A 56 56 ALA N N 56 119.874 120.216 -0.342 1
1 674 . 12 1 1 A 57 57 PHE H H 57 7.526 7.670 -0.144 1
1 675 . 12 1 1 A 57 57 PHE HA H 57 4.451 4.163 0.288 1
1 683 . 12 1 1 A 57 57 PHE C C 57 176.838 177.469 -0.631 1
1 684 . 12 1 1 A 57 57 PHE CA C 57 60.822 61.381 -0.559 1
1 685 . 12 1 1 A 57 57 PHE CB C 57 39.878 39.190 0.688 1
1 691 . 12 1 1 A 57 57 PHE N N 57 119.210 119.382 -0.172 1
1 692 . 12 1 1 A 58 58 GLN H H 58 8.415 8.557 -0.142 1
1 693 . 12 1 1 A 58 58 GLN HA H 58 3.874 4.237 -0.363 1
1 700 . 12 1 1 A 58 58 GLN C C 58 178.639 177.711 0.928 1
1 701 . 12 1 1 A 58 58 GLN CA C 58 58.499 59.110 -0.611 1
1 702 . 12 1 1 A 58 58 GLN CB C 58 28.325 28.348 -0.023 1
1 704 . 12 1 1 A 58 58 GLN N N 58 118.702 117.303 1.399 1
1 706 . 12 1 1 A 59 59 LYS H H 59 7.918 7.674 0.244 1
1 707 . 12 1 1 A 59 59 LYS HA H 59 4.121 4.042 0.079 1
1 716 . 12 1 1 A 59 59 LYS C C 59 178.269 179.180 -0.911 1
1 717 . 12 1 1 A 59 59 LYS CA C 59 58.921 59.465 -0.544 1
1 718 . 12 1 1 A 59 59 LYS CB C 59 32.437 32.293 0.144 1
1 722 . 12 1 1 A 59 59 LYS N N 59 119.131 120.237 -1.106 1
1 723 . 12 1 1 A 60 60 LYS H H 60 7.595 7.859 -0.264 1
1 724 . 12 1 1 A 60 60 LYS HA H 60 4.133 4.008 0.125 1
1 733 . 12 1 1 A 60 60 LYS C C 60 178.836 179.574 -0.738 1
1 734 . 12 1 1 A 60 60 LYS CA C 60 58.323 59.830 -1.507 1
1 735 . 12 1 1 A 60 60 LYS CB C 60 32.150 32.228 -0.078 1
1 739 . 12 1 1 A 60 60 LYS N N 60 120.016 118.634 1.382 1
1 740 . 12 1 1 A 61 61 GLU H H 61 8.095 8.012 0.083 1
1 741 . 12 1 1 A 61 61 GLU HA H 61 3.936 3.793 0.143 1
1 746 . 12 1 1 A 61 61 GLU C C 61 178.233 179.177 -0.944 1
1 747 . 12 1 1 A 61 61 GLU CA C 61 58.605 59.531 -0.926 1
1 748 . 12 1 1 A 61 61 GLU CB C 61 29.806 29.334 0.472 1
1 750 . 12 1 1 A 61 61 GLU N N 61 119.560 119.579 -0.019 1
1 751 . 12 1 1 A 62 62 HIS H H 62 8.037 7.917 0.120 1
1 752 . 12 1 1 A 62 62 HIS HA H 62 4.517 4.168 0.349 1
1 757 . 12 1 1 A 62 62 HIS C C 62 176.449 176.754 -0.305 1
1 758 . 12 1 1 A 62 62 HIS CA C 62 57.740 59.711 -1.971 1
1 759 . 12 1 1 A 62 62 HIS CB C 62 29.928 29.494 0.434 1
1 762 . 12 1 1 A 62 62 HIS N N 62 118.437 119.562 -1.125 1
1 763 . 12 1 1 A 63 63 GLU H H 63 8.010 8.560 -0.550 1
1 764 . 12 1 1 A 63 63 GLU HA H 63 4.096 3.950 0.146 1
1 769 . 12 1 1 A 63 63 GLU C C 63 177.485 179.171 -1.686 1
1 770 . 12 1 1 A 63 63 GLU CA C 63 57.954 59.818 -1.864 1
1 771 . 12 1 1 A 63 63 GLU CB C 63 29.783 29.342 0.441 1
1 773 . 12 1 1 A 63 63 GLU N N 63 119.622 116.962 2.660 1
1 774 . 12 1 1 A 64 64 LYS H H 64 7.874 7.591 0.283 1
1 775 . 12 1 1 A 64 64 LYS HA H 64 4.213 4.253 -0.040 1
1 784 . 12 1 1 A 64 64 LYS C C 64 177.341 177.469 -0.128 1
1 785 . 12 1 1 A 64 64 LYS CA C 64 57.479 59.088 -1.609 1
1 786 . 12 1 1 A 64 64 LYS CB C 64 32.684 32.801 -0.117 1
1 790 . 12 1 1 A 64 64 LYS N N 64 119.617 119.304 0.313 1
1 791 . 12 1 1 A 65 65 GLU H H 65 8.044 7.752 0.292 1
1 792 . 12 1 1 A 65 65 GLU HA H 65 4.236 4.165 0.071 1
1 797 . 12 1 1 A 65 65 GLU C C 65 177.451 175.816 1.635 1
1 798 . 12 1 1 A 65 65 GLU CA C 65 57.426 57.021 0.405 1
1 799 . 12 1 1 A 65 65 GLU CB C 65 29.971 30.233 -0.262 1
1 801 . 12 1 1 A 65 65 GLU N N 65 120.606 118.506 2.100 1
1 802 . 12 1 1 A 66 66 VAL H H 66 8.028 8.748 -0.720 1
1 803 . 12 1 1 A 66 66 VAL HA H 66 4.035 4.835 -0.800 1
1 811 . 12 1 1 A 66 66 VAL C C 66 176.848 174.111 2.737 1
1 812 . 12 1 1 A 66 66 VAL CA C 66 63.160 60.531 2.629 1
1 813 . 12 1 1 A 66 66 VAL CB C 66 32.396 33.546 -1.150 1
1 816 . 12 1 1 A 66 66 VAL N N 66 119.834 122.506 -2.672 1
1 817 . 12 1 1 A 67 67 GLN H H 67 8.265 8.820 -0.555 1
1 818 . 12 1 1 A 67 67 GLN HA H 67 4.313 4.850 -0.537 1
1 825 . 12 1 1 A 67 67 GLN C C 67 176.073 175.225 0.848 1
1 826 . 12 1 1 A 67 67 GLN CA C 67 56.283 54.207 2.076 1
1 827 . 12 1 1 A 67 67 GLN CB C 67 29.216 31.029 -1.813 1
1 829 . 12 1 1 A 67 67 GLN N N 67 122.698 126.907 -4.209 1
1 831 . 12 1 1 A 68 68 ASN H H 68 8.391 8.935 -0.544 1
1 832 . 12 1 1 A 68 68 ASN HA H 68 4.782 4.688 0.094 1
1 837 . 12 1 1 A 68 68 ASN C C 68 175.242 174.872 0.370 1
1 838 . 12 1 1 A 68 68 ASN CA C 68 53.487 53.543 -0.056 1
1 839 . 12 1 1 A 68 68 ASN CB C 68 39.138 39.197 -0.059 1
1 840 . 12 1 1 A 68 68 ASN N N 68 119.609 127.611 -8.002 1
1 842 . 12 1 1 A 69 69 SER H H 69 8.272 8.579 -0.307 1
1 843 . 12 1 1 A 69 69 SER HA H 69 4.501 5.435 -0.934 1
1 846 . 12 1 1 A 69 69 SER C C 69 174.630 174.012 0.618 1
1 847 . 12 1 1 A 69 69 SER CA C 69 58.587 56.960 1.627 1
1 848 . 12 1 1 A 69 69 SER CB C 69 64.174 66.694 -2.520 1
1 849 . 12 1 1 A 69 69 SER N N 69 116.106 121.064 -4.958 1
1 850 . 12 1 1 A 70 70 GLY H H 70 8.251 8.334 -0.083 1
1 851 . 12 1 1 A 70 70 GLY HA2 H 70 4.175 4.261 -0.086 1
1 852 . 12 1 1 A 70 70 GLY HA3 H 70 4.144 4.261 -0.117 1
1 853 . 12 1 1 A 70 70 GLY C C 70 171.843 174.235 -2.392 1
1 854 . 12 1 1 A 70 70 GLY CA C 70 44.709 45.249 -0.540 1
1 855 . 12 1 1 A 70 70 GLY N N 70 110.658 109.076 1.582 1
1 856 . 12 1 1 A 71 71 PRO HA H 71 4.501 4.396 0.105 1
1 863 . 12 1 1 A 71 71 PRO C C 71 177.457 176.382 1.075 1
1 864 . 12 1 1 A 71 71 PRO CA C 71 63.300 64.625 -1.325 1
1 865 . 12 1 1 A 71 71 PRO CB C 71 32.008 32.021 -0.013 1
1 868 . 12 1 1 A 72 72 SER H H 72 8.536 7.995 0.541 1
1 869 . 12 1 1 A 72 72 SER CA C 72 58.429 59.661 -1.232 1
1 1 . 13 1 1 A 6 6 SER HA H 6 4.501 4.892 -0.391 1
1 4 . 13 1 1 A 6 6 SER C C 6 175.089 174.298 0.791 1
1 5 . 13 1 1 A 6 6 SER CA C 6 58.675 57.166 1.509 1
1 6 . 13 1 1 A 6 6 SER CB C 6 63.909 64.133 -0.224 1
1 7 . 13 1 1 A 7 7 GLY H H 7 8.374 8.396 -0.022 1
1 8 . 13 1 1 A 7 7 GLY HA2 H 7 3.966 4.084 -0.118 1
1 9 . 13 1 1 A 7 7 GLY HA3 H 7 3.966 4.089 -0.123 1
1 10 . 13 1 1 A 7 7 GLY C C 7 174.147 173.891 0.256 1
1 11 . 13 1 1 A 7 7 GLY CA C 7 45.359 45.913 -0.554 1
1 12 . 13 1 1 A 7 7 GLY N N 7 110.638 113.326 -2.688 1
1 13 . 13 1 1 A 8 8 GLU H H 8 8.255 7.925 0.330 1
1 14 . 13 1 1 A 8 8 GLU HA H 8 4.273 4.792 -0.519 1
1 19 . 13 1 1 A 8 8 GLU C C 8 176.471 175.437 1.034 1
1 20 . 13 1 1 A 8 8 GLU CA C 8 56.582 54.384 2.198 1
1 21 . 13 1 1 A 8 8 GLU CB C 8 30.299 33.895 -3.596 1
1 23 . 13 1 1 A 8 8 GLU N N 8 120.542 119.753 0.789 1
1 24 . 13 1 1 A 9 9 GLN H H 9 8.397 8.149 0.248 1
1 25 . 13 1 1 A 9 9 GLN HA H 9 4.332 4.196 0.136 1
1 32 . 13 1 1 A 9 9 GLN C C 9 175.365 175.216 0.149 1
1 33 . 13 1 1 A 9 9 GLN CA C 9 55.668 55.821 -0.153 1
1 34 . 13 1 1 A 9 9 GLN CB C 9 29.560 28.559 1.001 1
1 36 . 13 1 1 A 9 9 GLN N N 9 121.410 121.037 0.373 1
1 38 . 13 1 1 A 10 10 VAL H H 10 8.104 8.472 -0.368 1
1 39 . 13 1 1 A 10 10 VAL HA H 10 4.054 4.361 -0.307 1
1 47 . 13 1 1 A 10 10 VAL C C 10 175.736 175.225 0.511 1
1 48 . 13 1 1 A 10 10 VAL CA C 10 62.334 61.377 0.957 1
1 49 . 13 1 1 A 10 10 VAL CB C 10 33.136 33.017 0.119 1
1 52 . 13 1 1 A 10 10 VAL N N 10 121.590 119.541 2.049 1
1 53 . 13 1 1 A 11 11 PHE H H 11 8.491 8.807 -0.316 1
1 54 . 13 1 1 A 11 11 PHE HA H 11 4.696 4.666 0.030 1
1 62 . 13 1 1 A 11 11 PHE C C 11 174.477 176.558 -2.081 1
1 63 . 13 1 1 A 11 11 PHE CA C 11 57.444 57.890 -0.446 1
1 64 . 13 1 1 A 11 11 PHE CB C 11 39.467 39.992 -0.525 1
1 70 . 13 1 1 A 11 11 PHE N N 11 125.302 124.780 0.522 1
1 71 . 13 1 1 A 12 12 ALA H H 12 9.203 8.927 0.276 1
1 72 . 13 1 1 A 12 12 ALA HA H 12 4.866 4.754 0.112 1
1 76 . 13 1 1 A 12 12 ALA C C 12 176.813 178.037 -1.224 1
1 77 . 13 1 1 A 12 12 ALA CA C 12 51.252 51.354 -0.102 1
1 78 . 13 1 1 A 12 12 ALA CB C 12 20.719 19.407 1.312 1
1 79 . 13 1 1 A 12 12 ALA N N 12 127.219 126.119 1.100 1
1 80 . 13 1 1 A 13 13 ALA H H 13 8.891 7.809 1.082 1
1 81 . 13 1 1 A 13 13 ALA HA H 13 3.874 3.802 0.072 1
1 85 . 13 1 1 A 13 13 ALA C C 13 176.194 177.625 -1.431 1
1 86 . 13 1 1 A 13 13 ALA CA C 13 53.380 53.035 0.345 1
1 87 . 13 1 1 A 13 13 ALA CB C 13 19.448 19.249 0.199 1
1 88 . 13 1 1 A 13 13 ALA N N 13 126.618 121.942 4.676 1
1 89 . 13 1 1 A 14 14 GLU H H 14 9.604 9.167 0.437 1
1 90 . 13 1 1 A 14 14 GLU HA H 14 4.336 4.209 0.127 1
1 95 . 13 1 1 A 14 14 GLU C C 14 176.093 175.945 0.148 1
1 96 . 13 1 1 A 14 14 GLU CA C 14 57.356 58.617 -1.261 1
1 97 . 13 1 1 A 14 14 GLU CB C 14 32.273 30.708 1.565 1
1 99 . 13 1 1 A 14 14 GLU N N 14 123.285 125.617 -2.332 1
1 100 . 13 1 1 A 15 15 CYS H H 15 7.655 7.446 0.209 1
1 101 . 13 1 1 A 15 15 CYS HA H 15 4.527 4.573 -0.046 1
1 104 . 13 1 1 A 15 15 CYS C C 15 171.003 172.779 -1.776 1
1 105 . 13 1 1 A 15 15 CYS CA C 15 56.674 58.396 -1.722 1
1 106 . 13 1 1 A 15 15 CYS CB C 15 29.765 30.791 -1.026 1
1 107 . 13 1 1 A 15 15 CYS N N 15 110.806 116.143 -5.337 1
1 108 . 13 1 1 A 16 16 ILE H H 16 8.316 8.669 -0.353 1
1 109 . 13 1 1 A 16 16 ILE HA H 16 4.344 3.884 0.460 1
1 119 . 13 1 1 A 16 16 ILE C C 16 175.432 175.608 -0.176 1
1 120 . 13 1 1 A 16 16 ILE CA C 16 60.047 61.716 -1.669 1
1 121 . 13 1 1 A 16 16 ILE CB C 16 39.308 37.418 1.890 1
1 125 . 13 1 1 A 16 16 ILE N N 16 121.665 125.515 -3.850 1
1 126 . 13 1 1 A 17 17 LEU H H 17 9.207 9.183 0.024 1
1 127 . 13 1 1 A 17 17 LEU HA H 17 4.425 4.397 0.028 1
1 137 . 13 1 1 A 17 17 LEU C C 17 177.573 176.321 1.252 1
1 138 . 13 1 1 A 17 17 LEU CA C 17 55.825 55.832 -0.007 1
1 139 . 13 1 1 A 17 17 LEU CB C 17 44.400 42.422 1.978 1
1 143 . 13 1 1 A 17 17 LEU N N 17 124.728 129.511 -4.783 1
1 144 . 13 1 1 A 18 18 SER H H 18 7.082 7.289 -0.207 1
1 145 . 13 1 1 A 18 18 SER HA H 18 4.778 4.755 0.023 1
1 148 . 13 1 1 A 18 18 SER C C 18 171.685 172.282 -0.597 1
1 149 . 13 1 1 A 18 18 SER CA C 18 57.075 56.596 0.479 1
1 150 . 13 1 1 A 18 18 SER CB C 18 64.550 65.115 -0.565 1
1 151 . 13 1 1 A 18 18 SER N N 18 110.441 109.291 1.150 1
1 152 . 13 1 1 A 19 19 LYS H H 19 8.745 9.181 -0.436 1
1 153 . 13 1 1 A 19 19 LYS HA H 19 5.836 5.588 0.248 1
1 162 . 13 1 1 A 19 19 LYS C C 19 174.068 174.699 -0.631 1
1 163 . 13 1 1 A 19 19 LYS CA C 19 54.770 54.401 0.369 1
1 164 . 13 1 1 A 19 19 LYS CB C 19 37.493 36.919 0.574 1
1 168 . 13 1 1 A 19 19 LYS N N 19 120.354 119.227 1.127 1
1 169 . 13 1 1 A 20 20 ARG H H 20 9.264 9.071 0.193 1
1 170 . 13 1 1 A 20 20 ARG HA H 20 4.703 5.190 -0.487 1
1 178 . 13 1 1 A 20 20 ARG C C 20 171.618 174.127 -2.509 1
1 179 . 13 1 1 A 20 20 ARG CA C 20 54.471 54.281 0.190 1
1 180 . 13 1 1 A 20 20 ARG CB C 20 32.578 34.260 -1.682 1
1 183 . 13 1 1 A 20 20 ARG N N 20 119.809 119.423 0.386 1
1 185 . 13 1 1 A 21 21 LEU H H 21 8.286 8.491 -0.205 1
1 186 . 13 1 1 A 21 21 LEU HA H 21 4.927 4.884 0.043 1
1 196 . 13 1 1 A 21 21 LEU C C 21 176.880 175.308 1.572 1
1 197 . 13 1 1 A 21 21 LEU CA C 21 53.433 54.363 -0.930 1
1 198 . 13 1 1 A 21 21 LEU CB C 21 43.905 45.010 -1.105 1
1 202 . 13 1 1 A 21 21 LEU N N 21 121.552 122.046 -0.494 1
1 203 . 13 1 1 A 22 22 ARG H H 22 9.146 8.899 0.247 1
1 204 . 13 1 1 A 22 22 ARG HA H 22 4.434 4.492 -0.058 1
1 211 . 13 1 1 A 22 22 ARG C C 22 175.379 176.071 -0.692 1
1 212 . 13 1 1 A 22 22 ARG CA C 22 55.468 56.960 -1.492 1
1 213 . 13 1 1 A 22 22 ARG CB C 22 33.049 32.117 0.932 1
1 216 . 13 1 1 A 22 22 ARG N N 22 126.472 125.257 1.215 1
1 217 . 13 1 1 A 23 23 LYS H H 23 9.505 8.109 1.396 1
1 218 . 13 1 1 A 23 23 LYS HA H 23 3.839 4.305 -0.466 1
1 227 . 13 1 1 A 23 23 LYS C C 23 176.521 176.063 0.458 1
1 228 . 13 1 1 A 23 23 LYS CA C 23 57.127 55.012 2.115 1
1 229 . 13 1 1 A 23 23 LYS CB C 23 29.988 32.720 -2.732 1
1 233 . 13 1 1 A 24 24 GLY H H 24 8.438 8.277 0.161 1
1 234 . 13 1 1 A 24 24 GLY HA2 H 24 4.124 3.902 0.222 1
1 235 . 13 1 1 A 24 24 GLY HA3 H 24 3.517 3.905 -0.388 1
1 236 . 13 1 1 A 24 24 GLY C C 24 173.338 174.071 -0.733 1
1 237 . 13 1 1 A 24 24 GLY CA C 24 45.481 46.587 -1.106 1
1 238 . 13 1 1 A 24 24 GLY N N 24 103.048 113.471 -10.423 1
1 239 . 13 1 1 A 25 25 LYS H H 25 7.785 7.862 -0.077 1
1 240 . 13 1 1 A 25 25 LYS HA H 25 4.635 4.525 0.110 1
1 249 . 13 1 1 A 25 25 LYS C C 25 174.733 174.323 0.410 1
1 250 . 13 1 1 A 25 25 LYS CA C 25 54.365 55.089 -0.724 1
1 251 . 13 1 1 A 25 25 LYS CB C 25 34.616 34.377 0.239 1
1 255 . 13 1 1 A 25 25 LYS N N 25 121.463 120.223 1.240 1
1 256 . 13 1 1 A 26 26 LEU H H 26 8.555 8.660 -0.105 1
1 257 . 13 1 1 A 26 26 LEU HA H 26 4.763 5.031 -0.268 1
1 267 . 13 1 1 A 26 26 LEU C C 26 176.596 174.559 2.037 1
1 268 . 13 1 1 A 26 26 LEU CA C 26 54.999 54.154 0.845 1
1 269 . 13 1 1 A 26 26 LEU CB C 26 43.167 43.239 -0.072 1
1 273 . 13 1 1 A 26 26 LEU N N 26 124.731 127.128 -2.397 1
1 274 . 13 1 1 A 27 27 GLU H H 27 8.944 9.008 -0.064 1
1 275 . 13 1 1 A 27 27 GLU HA H 27 4.923 4.937 -0.014 1
1 280 . 13 1 1 A 27 27 GLU C C 27 174.422 174.867 -0.445 1
1 281 . 13 1 1 A 27 27 GLU CA C 27 53.874 54.637 -0.763 1
1 282 . 13 1 1 A 27 27 GLU CB C 27 35.191 32.940 2.251 1
1 284 . 13 1 1 A 27 27 GLU N N 27 122.189 126.116 -3.927 1
1 285 . 13 1 1 A 28 28 TYR H H 28 9.423 9.482 -0.059 1
1 286 . 13 1 1 A 28 28 TYR HA H 28 5.265 5.035 0.230 1
1 293 . 13 1 1 A 28 28 TYR C C 28 174.020 174.891 -0.871 1
1 294 . 13 1 1 A 28 28 TYR CA C 28 56.511 56.491 0.020 1
1 295 . 13 1 1 A 28 28 TYR CB C 28 41.646 40.850 0.796 1
1 300 . 13 1 1 A 28 28 TYR N N 28 118.361 122.691 -4.330 1
1 301 . 13 1 1 A 29 29 LEU H H 29 7.779 8.551 -0.772 1
1 302 . 13 1 1 A 29 29 LEU HA H 29 3.634 3.557 0.077 1
1 312 . 13 1 1 A 29 29 LEU C C 29 173.992 174.486 -0.494 1
1 313 . 13 1 1 A 29 29 LEU CA C 29 53.680 53.794 -0.114 1
1 314 . 13 1 1 A 29 29 LEU CB C 29 40.115 41.481 -1.366 1
1 318 . 13 1 1 A 29 29 LEU N N 29 127.541 125.494 2.047 1
1 319 . 13 1 1 A 30 30 VAL H H 30 8.936 7.796 1.140 1
1 320 . 13 1 1 A 30 30 VAL HA H 30 3.915 3.825 0.090 1
1 328 . 13 1 1 A 30 30 VAL C C 30 173.840 174.573 -0.733 1
1 329 . 13 1 1 A 30 30 VAL CA C 30 62.106 61.669 0.437 1
1 330 . 13 1 1 A 30 30 VAL CB C 30 34.458 31.708 2.750 1
1 333 . 13 1 1 A 30 30 VAL N N 30 130.095 127.446 2.649 1
1 334 . 13 1 1 A 31 31 LYS H H 31 7.596 7.830 -0.234 1
1 335 . 13 1 1 A 31 31 LYS HA H 31 4.525 4.469 0.056 1
1 344 . 13 1 1 A 31 31 LYS C C 31 175.379 174.374 1.005 1
1 345 . 13 1 1 A 31 31 LYS CA C 31 53.574 54.454 -0.880 1
1 346 . 13 1 1 A 31 31 LYS CB C 31 34.848 34.092 0.756 1
1 350 . 13 1 1 A 31 31 LYS N N 31 123.992 126.148 -2.156 1
1 351 . 13 1 1 A 32 32 TRP H H 32 9.368 8.608 0.760 1
1 352 . 13 1 1 A 32 32 TRP HA H 32 4.816 5.138 -0.322 1
1 361 . 13 1 1 A 32 32 TRP C C 32 176.830 176.410 0.420 1
1 362 . 13 1 1 A 32 32 TRP CA C 32 56.002 56.758 -0.756 1
1 363 . 13 1 1 A 32 32 TRP CB C 32 31.163 30.501 0.662 1
1 369 . 13 1 1 A 32 32 TRP N N 32 131.754 128.491 3.263 1
1 371 . 13 1 1 A 33 33 ARG H H 33 9.455 8.968 0.487 1
1 372 . 13 1 1 A 33 33 ARG HA H 33 4.345 3.868 0.477 1
1 379 . 13 1 1 A 33 33 ARG C C 33 178.092 177.467 0.625 1
1 380 . 13 1 1 A 33 33 ARG CA C 33 57.590 58.535 -0.945 1
1 381 . 13 1 1 A 33 33 ARG CB C 33 30.400 30.294 0.106 1
1 384 . 13 1 1 A 33 33 ARG N N 33 124.374 124.794 -0.420 1
1 385 . 13 1 1 A 34 34 GLY H H 34 9.319 8.798 0.521 1
1 386 . 13 1 1 A 34 34 GLY HA2 H 34 3.642 3.651 -0.009 1
1 387 . 13 1 1 A 34 34 GLY HA3 H 34 3.976 3.773 0.203 1
1 388 . 13 1 1 A 34 34 GLY CA C 34 45.636 46.040 -0.404 1
1 389 . 13 1 1 A 34 34 GLY N N 34 114.254 111.636 2.618 1
1 390 . 13 1 1 A 35 35 TRP H H 35 7.725 7.882 -0.157 1
1 391 . 13 1 1 A 35 35 TRP HA H 35 4.785 5.199 -0.414 1
1 400 . 13 1 1 A 35 35 TRP CA C 35 55.641 55.979 -0.338 1
1 401 . 13 1 1 A 35 35 TRP CB C 35 31.352 33.590 -2.238 1
1 407 . 13 1 1 A 35 35 TRP N N 35 120.008 119.907 0.101 1
1 409 . 13 1 1 A 36 36 SER H H 36 8.785 8.846 -0.061 1
1 410 . 13 1 1 A 36 36 SER HA H 36 4.587 4.708 -0.121 1
1 413 . 13 1 1 A 36 36 SER CA C 36 58.364 58.699 -0.335 1
1 414 . 13 1 1 A 36 36 SER CB C 36 64.741 64.438 0.303 1
1 415 . 13 1 1 A 36 36 SER N N 36 117.243 119.887 -2.644 1
1 416 . 13 1 1 A 37 37 SER HA H 37 4.491 4.228 0.263 1
1 419 . 13 1 1 A 37 37 SER CA C 37 60.248 61.670 -1.422 1
1 420 . 13 1 1 A 37 37 SER CB C 37 63.340 62.660 0.680 1
1 421 . 13 1 1 A 38 38 LYS HA H 38 4.155 4.086 0.069 1
1 430 . 13 1 1 A 38 38 LYS CA C 38 58.001 58.793 -0.792 1
1 431 . 13 1 1 A 38 38 LYS CB C 38 32.378 31.930 0.448 1
1 435 . 13 1 1 A 39 39 HIS H H 39 8.245 7.929 0.316 1
1 436 . 13 1 1 A 39 39 HIS HA H 39 4.460 4.367 0.093 1
1 441 . 13 1 1 A 39 39 HIS CA C 39 56.031 59.673 -3.642 1
1 442 . 13 1 1 A 39 39 HIS CB C 39 30.068 30.358 -0.290 1
1 445 . 13 1 1 A 39 39 HIS N N 39 117.908 116.497 1.411 1
1 446 . 13 1 1 A 40 40 ASN H H 40 7.746 7.538 0.208 1
1 447 . 13 1 1 A 40 40 ASN HA H 40 5.176 4.746 0.430 1
1 452 . 13 1 1 A 40 40 ASN C C 40 176.114 174.725 1.389 1
1 453 . 13 1 1 A 40 40 ASN CA C 40 54.102 54.310 -0.208 1
1 454 . 13 1 1 A 40 40 ASN CB C 40 37.123 39.007 -1.884 1
1 455 . 13 1 1 A 40 40 ASN N N 40 121.018 118.043 2.975 1
1 457 . 13 1 1 A 41 41 SER H H 41 8.492 8.642 -0.150 1
1 458 . 13 1 1 A 41 41 SER HA H 41 4.866 5.111 -0.245 1
1 461 . 13 1 1 A 41 41 SER C C 41 172.479 173.121 -0.642 1
1 462 . 13 1 1 A 41 41 SER CA C 41 57.145 57.749 -0.604 1
1 463 . 13 1 1 A 41 41 SER CB C 41 66.057 65.966 0.091 1
1 464 . 13 1 1 A 41 41 SER N N 41 115.675 114.823 0.852 1
1 465 . 13 1 1 A 42 42 TRP H H 42 8.604 9.219 -0.615 1
1 466 . 13 1 1 A 42 42 TRP HA H 42 4.980 4.978 0.002 1
1 475 . 13 1 1 A 42 42 TRP C C 42 177.025 176.048 0.977 1
1 476 . 13 1 1 A 42 42 TRP CA C 42 56.477 56.963 -0.486 1
1 477 . 13 1 1 A 42 42 TRP CB C 42 29.625 29.232 0.393 1
1 483 . 13 1 1 A 42 42 TRP N N 42 123.109 126.240 -3.131 1
1 485 . 13 1 1 A 43 43 GLU H H 43 9.916 8.627 1.289 1
1 486 . 13 1 1 A 43 43 GLU HA H 43 5.225 4.883 0.342 1
1 491 . 13 1 1 A 43 43 GLU C C 43 174.192 174.111 0.081 1
1 492 . 13 1 1 A 43 43 GLU CA C 43 52.230 53.227 -0.997 1
1 493 . 13 1 1 A 43 43 GLU CB C 43 32.537 30.592 1.945 1
1 495 . 13 1 1 A 43 43 GLU N N 43 125.182 124.749 0.433 1
1 496 . 13 1 1 A 44 44 PRO HA H 44 4.934 4.869 0.065 1
1 503 . 13 1 1 A 44 44 PRO C C 44 177.782 177.835 -0.053 1
1 504 . 13 1 1 A 44 44 PRO CA C 44 62.525 62.544 -0.019 1
1 505 . 13 1 1 A 44 44 PRO CB C 44 32.730 32.787 -0.057 1
1 508 . 13 1 1 A 45 45 GLU H H 45 8.637 9.278 -0.641 1
1 509 . 13 1 1 A 45 45 GLU HA H 45 3.965 4.117 -0.152 1
1 514 . 13 1 1 A 45 45 GLU C C 45 177.990 178.593 -0.603 1
1 515 . 13 1 1 A 45 45 GLU CA C 45 60.293 59.694 0.599 1
1 516 . 13 1 1 A 45 45 GLU CB C 45 30.235 29.762 0.473 1
1 518 . 13 1 1 A 45 45 GLU N N 45 120.441 123.425 -2.984 1
1 519 . 13 1 1 A 46 46 GLU H H 46 9.698 8.708 0.990 1
1 520 . 13 1 1 A 46 46 GLU HA H 46 4.243 4.084 0.159 1
1 525 . 13 1 1 A 46 46 GLU C C 46 176.547 178.264 -1.717 1
1 526 . 13 1 1 A 46 46 GLU CA C 46 58.693 58.804 -0.111 1
1 527 . 13 1 1 A 46 46 GLU CB C 46 28.448 28.340 0.108 1
1 529 . 13 1 1 A 46 46 GLU N N 46 117.193 117.358 -0.165 1
1 530 . 13 1 1 A 47 47 ASN H H 47 8.119 8.170 -0.051 1
1 531 . 13 1 1 A 47 47 ASN HA H 47 4.922 4.705 0.217 1
1 536 . 13 1 1 A 47 47 ASN C C 47 175.293 176.248 -0.955 1
1 537 . 13 1 1 A 47 47 ASN CA C 47 52.430 54.965 -2.535 1
1 538 . 13 1 1 A 47 47 ASN CB C 47 38.439 38.907 -0.468 1
1 539 . 13 1 1 A 47 47 ASN N N 47 118.023 116.265 1.758 1
1 541 . 13 1 1 A 48 48 ILE H H 48 7.695 7.342 0.353 1
1 542 . 13 1 1 A 48 48 ILE HA H 48 4.075 4.098 -0.023 1
1 552 . 13 1 1 A 48 48 ILE C C 48 175.029 175.589 -0.560 1
1 553 . 13 1 1 A 48 48 ILE CA C 48 59.749 61.884 -2.135 1
1 554 . 13 1 1 A 48 48 ILE CB C 48 35.109 37.283 -2.174 1
1 558 . 13 1 1 A 48 48 ILE N N 48 121.906 119.538 2.368 1
1 559 . 13 1 1 A 49 49 LEU H H 49 8.137 8.605 -0.468 1
1 560 . 13 1 1 A 49 49 LEU HA H 49 4.286 4.381 -0.095 1
1 570 . 13 1 1 A 49 49 LEU C C 49 176.808 176.949 -0.141 1
1 571 . 13 1 1 A 49 49 LEU CA C 49 55.748 56.385 -0.637 1
1 572 . 13 1 1 A 49 49 LEU CB C 49 42.088 42.756 -0.668 1
1 576 . 13 1 1 A 49 49 LEU N N 49 125.062 129.598 -4.536 1
1 577 . 13 1 1 A 50 50 ASP H H 50 7.284 7.771 -0.487 1
1 578 . 13 1 1 A 50 50 ASP HA H 50 5.077 4.813 0.264 1
1 581 . 13 1 1 A 50 50 ASP C C 50 174.968 175.862 -0.894 1
1 582 . 13 1 1 A 50 50 ASP CA C 50 50.443 51.994 -1.551 1
1 583 . 13 1 1 A 50 50 ASP CB C 50 41.822 40.820 1.002 1
1 584 . 13 1 1 A 50 50 ASP N N 50 118.019 118.650 -0.631 1
1 585 . 13 1 1 A 51 51 PRO HA H 51 4.258 4.286 -0.028 1
1 592 . 13 1 1 A 51 51 PRO C C 51 179.037 178.734 0.303 1
1 593 . 13 1 1 A 51 51 PRO CA C 51 64.372 64.712 -0.340 1
1 594 . 13 1 1 A 51 51 PRO CB C 51 32.382 32.150 0.232 1
1 597 . 13 1 1 A 52 52 ARG H H 52 8.253 8.448 -0.195 1
1 598 . 13 1 1 A 52 52 ARG HA H 52 3.995 4.060 -0.065 1
1 605 . 13 1 1 A 52 52 ARG C C 52 179.774 178.880 0.894 1
1 606 . 13 1 1 A 52 52 ARG CA C 52 59.255 59.059 0.196 1
1 607 . 13 1 1 A 52 52 ARG CB C 52 29.608 30.159 -0.551 1
1 610 . 13 1 1 A 52 52 ARG N N 52 117.657 118.563 -0.906 1
1 611 . 13 1 1 A 53 53 LEU H H 53 7.576 7.992 -0.416 1
1 612 . 13 1 1 A 53 53 LEU HA H 53 4.043 3.922 0.121 1
1 622 . 13 1 1 A 53 53 LEU C C 53 180.197 179.074 1.123 1
1 623 . 13 1 1 A 53 53 LEU CA C 53 57.620 57.738 -0.118 1
1 624 . 13 1 1 A 53 53 LEU CB C 53 42.080 41.555 0.525 1
1 628 . 13 1 1 A 53 53 LEU N N 53 118.887 120.199 -1.312 1
1 629 . 13 1 1 A 54 54 LEU H H 54 7.185 8.048 -0.863 1
1 630 . 13 1 1 A 54 54 LEU HA H 54 3.966 3.688 0.278 1
1 640 . 13 1 1 A 54 54 LEU C C 54 178.631 178.897 -0.266 1
1 641 . 13 1 1 A 54 54 LEU CA C 54 57.549 57.902 -0.353 1
1 642 . 13 1 1 A 54 54 LEU CB C 54 41.646 41.959 -0.313 1
1 646 . 13 1 1 A 54 54 LEU N N 54 119.814 117.689 2.125 1
1 647 . 13 1 1 A 55 55 LEU H H 55 7.791 8.409 -0.618 1
1 648 . 13 1 1 A 55 55 LEU HA H 55 4.132 3.877 0.255 1
1 658 . 13 1 1 A 55 55 LEU C C 55 179.501 179.020 0.481 1
1 659 . 13 1 1 A 55 55 LEU CA C 55 58.007 58.225 -0.218 1
1 660 . 13 1 1 A 55 55 LEU CB C 55 41.523 41.503 0.020 1
1 664 . 13 1 1 A 55 55 LEU N N 55 120.290 118.307 1.983 1
1 665 . 13 1 1 A 56 56 ALA H H 56 7.771 8.172 -0.401 1
1 666 . 13 1 1 A 56 56 ALA HA H 56 4.145 4.090 0.055 1
1 670 . 13 1 1 A 56 56 ALA C C 56 180.157 180.005 0.152 1
1 671 . 13 1 1 A 56 56 ALA CA C 56 54.963 55.008 -0.045 1
1 672 . 13 1 1 A 56 56 ALA CB C 56 18.232 18.369 -0.137 1
1 673 . 13 1 1 A 56 56 ALA N N 56 119.874 120.221 -0.347 1
1 674 . 13 1 1 A 57 57 PHE H H 57 7.526 7.730 -0.204 1
1 675 . 13 1 1 A 57 57 PHE HA H 57 4.451 4.145 0.306 1
1 683 . 13 1 1 A 57 57 PHE C C 57 176.838 177.586 -0.748 1
1 684 . 13 1 1 A 57 57 PHE CA C 57 60.822 61.566 -0.744 1
1 685 . 13 1 1 A 57 57 PHE CB C 57 39.878 39.215 0.663 1
1 691 . 13 1 1 A 57 57 PHE N N 57 119.210 119.150 0.060 1
1 692 . 13 1 1 A 58 58 GLN H H 58 8.415 8.605 -0.190 1
1 693 . 13 1 1 A 58 58 GLN HA H 58 3.874 3.896 -0.022 1
1 700 . 13 1 1 A 58 58 GLN C C 58 178.639 178.785 -0.146 1
1 701 . 13 1 1 A 58 58 GLN CA C 58 58.499 59.364 -0.865 1
1 702 . 13 1 1 A 58 58 GLN CB C 58 28.325 28.333 -0.008 1
1 704 . 13 1 1 A 58 58 GLN N N 58 118.702 117.992 0.710 1
1 706 . 13 1 1 A 59 59 LYS H H 59 7.918 7.770 0.148 1
1 707 . 13 1 1 A 59 59 LYS HA H 59 4.121 4.074 0.047 1
1 716 . 13 1 1 A 59 59 LYS C C 59 178.269 179.496 -1.227 1
1 717 . 13 1 1 A 59 59 LYS CA C 59 58.921 59.525 -0.604 1
1 718 . 13 1 1 A 59 59 LYS CB C 59 32.437 31.976 0.461 1
1 722 . 13 1 1 A 59 59 LYS N N 59 119.131 119.861 -0.730 1
1 723 . 13 1 1 A 60 60 LYS H H 60 7.595 7.617 -0.022 1
1 724 . 13 1 1 A 60 60 LYS HA H 60 4.133 4.045 0.088 1
1 733 . 13 1 1 A 60 60 LYS C C 60 178.836 179.577 -0.741 1
1 734 . 13 1 1 A 60 60 LYS CA C 60 58.323 59.775 -1.452 1
1 735 . 13 1 1 A 60 60 LYS CB C 60 32.150 32.080 0.070 1
1 739 . 13 1 1 A 60 60 LYS N N 60 120.016 119.539 0.477 1
1 740 . 13 1 1 A 61 61 GLU H H 61 8.095 8.273 -0.178 1
1 741 . 13 1 1 A 61 61 GLU HA H 61 3.936 3.772 0.164 1
1 746 . 13 1 1 A 61 61 GLU C C 61 178.233 178.881 -0.648 1
1 747 . 13 1 1 A 61 61 GLU CA C 61 58.605 59.466 -0.861 1
1 748 . 13 1 1 A 61 61 GLU CB C 61 29.806 29.269 0.537 1
1 750 . 13 1 1 A 61 61 GLU N N 61 119.560 119.675 -0.115 1
1 751 . 13 1 1 A 62 62 HIS H H 62 8.037 7.995 0.042 1
1 752 . 13 1 1 A 62 62 HIS HA H 62 4.517 4.103 0.414 1
1 757 . 13 1 1 A 62 62 HIS C C 62 176.449 176.457 -0.008 1
1 758 . 13 1 1 A 62 62 HIS CA C 62 57.740 60.020 -2.280 1
1 759 . 13 1 1 A 62 62 HIS CB C 62 29.928 30.048 -0.120 1
1 762 . 13 1 1 A 62 62 HIS N N 62 118.437 119.729 -1.292 1
1 763 . 13 1 1 A 63 63 GLU H H 63 8.010 8.232 -0.222 1
1 764 . 13 1 1 A 63 63 GLU HA H 63 4.096 3.991 0.105 1
1 769 . 13 1 1 A 63 63 GLU C C 63 177.485 179.265 -1.780 1
1 770 . 13 1 1 A 63 63 GLU CA C 63 57.954 59.895 -1.941 1
1 771 . 13 1 1 A 63 63 GLU CB C 63 29.783 29.350 0.433 1
1 773 . 13 1 1 A 63 63 GLU N N 63 119.622 117.613 2.009 1
1 774 . 13 1 1 A 64 64 LYS H H 64 7.874 7.561 0.313 1
1 775 . 13 1 1 A 64 64 LYS HA H 64 4.213 4.221 -0.008 1
1 784 . 13 1 1 A 64 64 LYS C C 64 177.341 176.981 0.360 1
1 785 . 13 1 1 A 64 64 LYS CA C 64 57.479 58.797 -1.318 1
1 786 . 13 1 1 A 64 64 LYS CB C 64 32.684 32.596 0.088 1
1 790 . 13 1 1 A 64 64 LYS N N 64 119.617 119.431 0.186 1
1 791 . 13 1 1 A 65 65 GLU H H 65 8.044 7.916 0.128 1
1 792 . 13 1 1 A 65 65 GLU HA H 65 4.236 4.790 -0.554 1
1 797 . 13 1 1 A 65 65 GLU C C 65 177.451 175.264 2.187 1
1 798 . 13 1 1 A 65 65 GLU CA C 65 57.426 55.199 2.227 1
1 799 . 13 1 1 A 65 65 GLU CB C 65 29.971 31.139 -1.168 1
1 801 . 13 1 1 A 65 65 GLU N N 65 120.606 118.815 1.791 1
1 802 . 13 1 1 A 66 66 VAL H H 66 8.028 8.282 -0.254 1
1 803 . 13 1 1 A 66 66 VAL HA H 66 4.035 4.550 -0.515 1
1 811 . 13 1 1 A 66 66 VAL C C 66 176.848 173.876 2.972 1
1 812 . 13 1 1 A 66 66 VAL CA C 66 63.160 59.983 3.177 1
1 813 . 13 1 1 A 66 66 VAL CB C 66 32.396 34.511 -2.115 1
1 816 . 13 1 1 A 66 66 VAL N N 66 119.834 124.835 -5.001 1
1 817 . 13 1 1 A 67 67 GLN H H 67 8.265 8.664 -0.399 1
1 818 . 13 1 1 A 67 67 GLN HA H 67 4.313 4.460 -0.147 1
1 825 . 13 1 1 A 67 67 GLN C C 67 176.073 174.641 1.432 1
1 826 . 13 1 1 A 67 67 GLN CA C 67 56.283 55.764 0.519 1
1 827 . 13 1 1 A 67 67 GLN CB C 67 29.216 31.379 -2.163 1
1 829 . 13 1 1 A 67 67 GLN N N 67 122.698 126.521 -3.823 1
1 831 . 13 1 1 A 68 68 ASN H H 68 8.391 8.784 -0.393 1
1 832 . 13 1 1 A 68 68 ASN HA H 68 4.782 4.307 0.475 1
1 837 . 13 1 1 A 68 68 ASN C C 68 175.242 173.688 1.554 1
1 838 . 13 1 1 A 68 68 ASN CA C 68 53.487 54.475 -0.988 1
1 839 . 13 1 1 A 68 68 ASN CB C 68 39.138 37.096 2.042 1
1 840 . 13 1 1 A 68 68 ASN N N 68 119.609 123.129 -3.520 1
1 842 . 13 1 1 A 69 69 SER H H 69 8.272 7.798 0.474 1
1 843 . 13 1 1 A 69 69 SER HA H 69 4.501 4.822 -0.321 1
1 846 . 13 1 1 A 69 69 SER C C 69 174.630 172.647 1.983 1
1 847 . 13 1 1 A 69 69 SER CA C 69 58.587 56.694 1.893 1
1 848 . 13 1 1 A 69 69 SER CB C 69 64.174 65.959 -1.785 1
1 849 . 13 1 1 A 69 69 SER N N 69 116.106 112.870 3.236 1
1 850 . 13 1 1 A 70 70 GLY H H 70 8.251 8.925 -0.674 1
1 851 . 13 1 1 A 70 70 GLY HA2 H 70 4.175 4.263 -0.088 1
1 852 . 13 1 1 A 70 70 GLY HA3 H 70 4.144 4.277 -0.133 1
1 853 . 13 1 1 A 70 70 GLY C C 70 171.843 173.140 -1.297 1
1 854 . 13 1 1 A 70 70 GLY CA C 70 44.709 43.904 0.805 1
1 855 . 13 1 1 A 70 70 GLY N N 70 110.658 112.621 -1.963 1
1 856 . 13 1 1 A 71 71 PRO HA H 71 4.501 4.523 -0.022 1
1 863 . 13 1 1 A 71 71 PRO C C 71 177.457 176.504 0.953 1
1 864 . 13 1 1 A 71 71 PRO CA C 71 63.300 62.692 0.608 1
1 865 . 13 1 1 A 71 71 PRO CB C 71 32.008 32.341 -0.333 1
1 868 . 13 1 1 A 72 72 SER H H 72 8.536 8.504 0.032 1
1 869 . 13 1 1 A 72 72 SER CA C 72 58.429 56.846 1.583 1
1 1 . 14 1 1 A 6 6 SER HA H 6 4.501 5.333 -0.832 1
1 4 . 14 1 1 A 6 6 SER C C 6 175.089 174.274 0.815 1
1 5 . 14 1 1 A 6 6 SER CA C 6 58.675 56.279 2.396 1
1 6 . 14 1 1 A 6 6 SER CB C 6 63.909 65.903 -1.994 1
1 7 . 14 1 1 A 7 7 GLY H H 7 8.374 8.539 -0.165 1
1 8 . 14 1 1 A 7 7 GLY HA2 H 7 3.966 4.324 -0.358 1
1 9 . 14 1 1 A 7 7 GLY HA3 H 7 3.966 4.325 -0.359 1
1 10 . 14 1 1 A 7 7 GLY C C 7 174.147 171.853 2.294 1
1 11 . 14 1 1 A 7 7 GLY CA C 7 45.359 44.964 0.395 1
1 12 . 14 1 1 A 7 7 GLY N N 7 110.638 107.627 3.011 1
1 13 . 14 1 1 A 8 8 GLU H H 8 8.255 8.717 -0.462 1
1 14 . 14 1 1 A 8 8 GLU HA H 8 4.273 4.844 -0.571 1
1 19 . 14 1 1 A 8 8 GLU C C 8 176.471 175.848 0.623 1
1 20 . 14 1 1 A 8 8 GLU CA C 8 56.582 55.737 0.845 1
1 21 . 14 1 1 A 8 8 GLU CB C 8 30.299 31.087 -0.788 1
1 23 . 14 1 1 A 8 8 GLU N N 8 120.542 124.437 -3.895 1
1 24 . 14 1 1 A 9 9 GLN H H 9 8.397 8.680 -0.283 1
1 25 . 14 1 1 A 9 9 GLN HA H 9 4.332 4.951 -0.619 1
1 32 . 14 1 1 A 9 9 GLN C C 9 175.365 174.779 0.586 1
1 33 . 14 1 1 A 9 9 GLN CA C 9 55.668 54.810 0.858 1
1 34 . 14 1 1 A 9 9 GLN CB C 9 29.560 30.244 -0.684 1
1 36 . 14 1 1 A 9 9 GLN N N 9 121.410 119.980 1.430 1
1 38 . 14 1 1 A 10 10 VAL H H 10 8.104 9.006 -0.902 1
1 39 . 14 1 1 A 10 10 VAL HA H 10 4.054 4.517 -0.463 1
1 47 . 14 1 1 A 10 10 VAL C C 10 175.736 176.399 -0.663 1
1 48 . 14 1 1 A 10 10 VAL CA C 10 62.334 61.939 0.395 1
1 49 . 14 1 1 A 10 10 VAL CB C 10 33.136 32.515 0.621 1
1 52 . 14 1 1 A 10 10 VAL N N 10 121.590 124.517 -2.927 1
1 53 . 14 1 1 A 11 11 PHE H H 11 8.491 9.276 -0.785 1
1 54 . 14 1 1 A 11 11 PHE HA H 11 4.696 4.094 0.602 1
1 62 . 14 1 1 A 11 11 PHE C C 11 174.477 176.897 -2.420 1
1 63 . 14 1 1 A 11 11 PHE CA C 11 57.444 62.372 -4.928 1
1 64 . 14 1 1 A 11 11 PHE CB C 11 39.467 39.899 -0.432 1
1 70 . 14 1 1 A 11 11 PHE N N 11 125.302 126.287 -0.985 1
1 71 . 14 1 1 A 12 12 ALA H H 12 9.203 8.297 0.906 1
1 72 . 14 1 1 A 12 12 ALA HA H 12 4.866 4.807 0.059 1
1 76 . 14 1 1 A 12 12 ALA C C 12 176.813 178.066 -1.253 1
1 77 . 14 1 1 A 12 12 ALA CA C 12 51.252 53.059 -1.807 1
1 78 . 14 1 1 A 12 12 ALA CB C 12 20.719 21.651 -0.932 1
1 79 . 14 1 1 A 12 12 ALA N N 12 127.219 117.920 9.299 1
1 80 . 14 1 1 A 13 13 ALA H H 13 8.891 8.004 0.887 1
1 81 . 14 1 1 A 13 13 ALA HA H 13 3.874 3.877 -0.003 1
1 85 . 14 1 1 A 13 13 ALA C C 13 176.194 177.457 -1.263 1
1 86 . 14 1 1 A 13 13 ALA CA C 13 53.380 52.574 0.806 1
1 87 . 14 1 1 A 13 13 ALA CB C 13 19.448 19.092 0.356 1
1 88 . 14 1 1 A 13 13 ALA N N 13 126.618 121.721 4.897 1
1 89 . 14 1 1 A 14 14 GLU H H 14 9.604 8.919 0.685 1
1 90 . 14 1 1 A 14 14 GLU HA H 14 4.336 4.195 0.141 1
1 95 . 14 1 1 A 14 14 GLU C C 14 176.093 175.957 0.136 1
1 96 . 14 1 1 A 14 14 GLU CA C 14 57.356 58.672 -1.316 1
1 97 . 14 1 1 A 14 14 GLU CB C 14 32.273 30.809 1.464 1
1 99 . 14 1 1 A 14 14 GLU N N 14 123.285 125.649 -2.364 1
1 100 . 14 1 1 A 15 15 CYS H H 15 7.655 7.489 0.166 1
1 101 . 14 1 1 A 15 15 CYS HA H 15 4.527 4.580 -0.053 1
1 104 . 14 1 1 A 15 15 CYS C C 15 171.003 172.720 -1.717 1
1 105 . 14 1 1 A 15 15 CYS CA C 15 56.674 58.266 -1.592 1
1 106 . 14 1 1 A 15 15 CYS CB C 15 29.765 30.761 -0.996 1
1 107 . 14 1 1 A 15 15 CYS N N 15 110.806 116.162 -5.356 1
1 108 . 14 1 1 A 16 16 ILE H H 16 8.316 8.647 -0.331 1
1 109 . 14 1 1 A 16 16 ILE HA H 16 4.344 3.927 0.417 1
1 119 . 14 1 1 A 16 16 ILE C C 16 175.432 175.352 0.080 1
1 120 . 14 1 1 A 16 16 ILE CA C 16 60.047 61.495 -1.448 1
1 121 . 14 1 1 A 16 16 ILE CB C 16 39.308 37.323 1.985 1
1 125 . 14 1 1 A 16 16 ILE N N 16 121.665 124.874 -3.209 1
1 126 . 14 1 1 A 17 17 LEU H H 17 9.207 9.058 0.149 1
1 127 . 14 1 1 A 17 17 LEU HA H 17 4.425 4.354 0.071 1
1 137 . 14 1 1 A 17 17 LEU C C 17 177.573 176.301 1.272 1
1 138 . 14 1 1 A 17 17 LEU CA C 17 55.825 55.938 -0.113 1
1 139 . 14 1 1 A 17 17 LEU CB C 17 44.400 42.485 1.915 1
1 143 . 14 1 1 A 17 17 LEU N N 17 124.728 129.536 -4.808 1
1 144 . 14 1 1 A 18 18 SER H H 18 7.082 7.476 -0.394 1
1 145 . 14 1 1 A 18 18 SER HA H 18 4.778 4.675 0.103 1
1 148 . 14 1 1 A 18 18 SER C C 18 171.685 172.254 -0.569 1
1 149 . 14 1 1 A 18 18 SER CA C 18 57.075 56.666 0.409 1
1 150 . 14 1 1 A 18 18 SER CB C 18 64.550 65.742 -1.192 1
1 151 . 14 1 1 A 18 18 SER N N 18 110.441 109.719 0.722 1
1 152 . 14 1 1 A 19 19 LYS H H 19 8.745 9.146 -0.401 1
1 153 . 14 1 1 A 19 19 LYS HA H 19 5.836 5.663 0.173 1
1 162 . 14 1 1 A 19 19 LYS C C 19 174.068 174.683 -0.615 1
1 163 . 14 1 1 A 19 19 LYS CA C 19 54.770 54.479 0.291 1
1 164 . 14 1 1 A 19 19 LYS CB C 19 37.493 37.317 0.176 1
1 168 . 14 1 1 A 19 19 LYS N N 19 120.354 119.527 0.827 1
1 169 . 14 1 1 A 20 20 ARG H H 20 9.264 8.892 0.372 1
1 170 . 14 1 1 A 20 20 ARG HA H 20 4.703 5.157 -0.454 1
1 178 . 14 1 1 A 20 20 ARG C C 20 171.618 173.975 -2.357 1
1 179 . 14 1 1 A 20 20 ARG CA C 20 54.471 54.828 -0.357 1
1 180 . 14 1 1 A 20 20 ARG CB C 20 32.578 34.183 -1.605 1
1 183 . 14 1 1 A 20 20 ARG N N 20 119.809 118.856 0.953 1
1 185 . 14 1 1 A 21 21 LEU H H 21 8.286 8.667 -0.381 1
1 186 . 14 1 1 A 21 21 LEU HA H 21 4.927 5.097 -0.170 1
1 196 . 14 1 1 A 21 21 LEU C C 21 176.880 176.357 0.523 1
1 197 . 14 1 1 A 21 21 LEU CA C 21 53.433 53.740 -0.307 1
1 198 . 14 1 1 A 21 21 LEU CB C 21 43.905 45.886 -1.981 1
1 202 . 14 1 1 A 21 21 LEU N N 21 121.552 121.937 -0.385 1
1 203 . 14 1 1 A 22 22 ARG H H 22 9.146 8.401 0.745 1
1 204 . 14 1 1 A 22 22 ARG HA H 22 4.434 4.361 0.073 1
1 211 . 14 1 1 A 22 22 ARG C C 22 175.379 177.429 -2.050 1
1 212 . 14 1 1 A 22 22 ARG CA C 22 55.468 57.515 -2.047 1
1 213 . 14 1 1 A 22 22 ARG CB C 22 33.049 31.464 1.585 1
1 216 . 14 1 1 A 22 22 ARG N N 22 126.472 125.856 0.616 1
1 217 . 14 1 1 A 23 23 LYS H H 23 9.505 8.152 1.353 1
1 218 . 14 1 1 A 23 23 LYS HA H 23 3.839 4.574 -0.735 1
1 227 . 14 1 1 A 23 23 LYS C C 23 176.521 177.763 -1.242 1
1 228 . 14 1 1 A 23 23 LYS CA C 23 57.127 57.546 -0.419 1
1 229 . 14 1 1 A 23 23 LYS CB C 23 29.988 35.393 -5.405 1
1 233 . 14 1 1 A 24 24 GLY H H 24 8.438 7.814 0.624 1
1 234 . 14 1 1 A 24 24 GLY HA2 H 24 4.124 4.052 0.072 1
1 235 . 14 1 1 A 24 24 GLY HA3 H 24 3.517 4.054 -0.537 1
1 236 . 14 1 1 A 24 24 GLY C C 24 173.338 173.940 -0.602 1
1 237 . 14 1 1 A 24 24 GLY CA C 24 45.481 45.469 0.012 1
1 238 . 14 1 1 A 24 24 GLY N N 24 103.048 106.201 -3.153 1
1 239 . 14 1 1 A 25 25 LYS H H 25 7.785 7.728 0.057 1
1 240 . 14 1 1 A 25 25 LYS HA H 25 4.635 4.965 -0.330 1
1 249 . 14 1 1 A 25 25 LYS C C 25 174.733 174.494 0.239 1
1 250 . 14 1 1 A 25 25 LYS CA C 25 54.365 54.311 0.054 1
1 251 . 14 1 1 A 25 25 LYS CB C 25 34.616 36.128 -1.512 1
1 255 . 14 1 1 A 25 25 LYS N N 25 121.463 117.595 3.868 1
1 256 . 14 1 1 A 26 26 LEU H H 26 8.555 8.844 -0.289 1
1 257 . 14 1 1 A 26 26 LEU HA H 26 4.763 5.007 -0.244 1
1 267 . 14 1 1 A 26 26 LEU C C 26 176.596 174.727 1.869 1
1 268 . 14 1 1 A 26 26 LEU CA C 26 54.999 53.293 1.706 1
1 269 . 14 1 1 A 26 26 LEU CB C 26 43.167 45.554 -2.387 1
1 273 . 14 1 1 A 26 26 LEU N N 26 124.731 122.588 2.143 1
1 274 . 14 1 1 A 27 27 GLU H H 27 8.944 9.413 -0.469 1
1 275 . 14 1 1 A 27 27 GLU HA H 27 4.923 5.068 -0.145 1
1 280 . 14 1 1 A 27 27 GLU C C 27 174.422 175.072 -0.650 1
1 281 . 14 1 1 A 27 27 GLU CA C 27 53.874 54.784 -0.910 1
1 282 . 14 1 1 A 27 27 GLU CB C 27 35.191 32.742 2.449 1
1 284 . 14 1 1 A 27 27 GLU N N 27 122.189 126.196 -4.007 1
1 285 . 14 1 1 A 28 28 TYR H H 28 9.423 9.438 -0.015 1
1 286 . 14 1 1 A 28 28 TYR HA H 28 5.265 4.945 0.320 1
1 293 . 14 1 1 A 28 28 TYR C C 28 174.020 174.626 -0.606 1
1 294 . 14 1 1 A 28 28 TYR CA C 28 56.511 56.688 -0.177 1
1 295 . 14 1 1 A 28 28 TYR CB C 28 41.646 40.593 1.053 1
1 300 . 14 1 1 A 28 28 TYR N N 28 118.361 122.441 -4.080 1
1 301 . 14 1 1 A 29 29 LEU H H 29 7.779 8.442 -0.663 1
1 302 . 14 1 1 A 29 29 LEU HA H 29 3.634 3.385 0.249 1
1 312 . 14 1 1 A 29 29 LEU C C 29 173.992 174.646 -0.654 1
1 313 . 14 1 1 A 29 29 LEU CA C 29 53.680 54.000 -0.320 1
1 314 . 14 1 1 A 29 29 LEU CB C 29 40.115 41.198 -1.083 1
1 318 . 14 1 1 A 29 29 LEU N N 29 127.541 126.477 1.064 1
1 319 . 14 1 1 A 30 30 VAL H H 30 8.936 7.975 0.961 1
1 320 . 14 1 1 A 30 30 VAL HA H 30 3.915 3.841 0.074 1
1 328 . 14 1 1 A 30 30 VAL C C 30 173.840 174.351 -0.511 1
1 329 . 14 1 1 A 30 30 VAL CA C 30 62.106 61.817 0.289 1
1 330 . 14 1 1 A 30 30 VAL CB C 30 34.458 31.765 2.693 1
1 333 . 14 1 1 A 30 30 VAL N N 30 130.095 127.597 2.498 1
1 334 . 14 1 1 A 31 31 LYS H H 31 7.596 8.001 -0.405 1
1 335 . 14 1 1 A 31 31 LYS HA H 31 4.525 4.606 -0.081 1
1 344 . 14 1 1 A 31 31 LYS C C 31 175.379 175.004 0.375 1
1 345 . 14 1 1 A 31 31 LYS CA C 31 53.574 54.612 -1.038 1
1 346 . 14 1 1 A 31 31 LYS CB C 31 34.848 33.536 1.312 1
1 350 . 14 1 1 A 31 31 LYS N N 31 123.992 126.715 -2.723 1
1 351 . 14 1 1 A 32 32 TRP H H 32 9.368 8.362 1.006 1
1 352 . 14 1 1 A 32 32 TRP HA H 32 4.816 4.739 0.077 1
1 361 . 14 1 1 A 32 32 TRP C C 32 176.830 176.678 0.152 1
1 362 . 14 1 1 A 32 32 TRP CA C 32 56.002 58.537 -2.535 1
1 363 . 14 1 1 A 32 32 TRP CB C 32 31.163 29.969 1.194 1
1 369 . 14 1 1 A 32 32 TRP N N 32 131.754 128.096 3.658 1
1 371 . 14 1 1 A 33 33 ARG H H 33 9.455 8.715 0.740 1
1 372 . 14 1 1 A 33 33 ARG HA H 33 4.345 3.859 0.486 1
1 379 . 14 1 1 A 33 33 ARG C C 33 178.092 177.461 0.631 1
1 380 . 14 1 1 A 33 33 ARG CA C 33 57.590 58.167 -0.577 1
1 381 . 14 1 1 A 33 33 ARG CB C 33 30.400 30.366 0.034 1
1 384 . 14 1 1 A 33 33 ARG N N 33 124.374 124.298 0.076 1
1 385 . 14 1 1 A 34 34 GLY H H 34 9.319 8.749 0.570 1
1 386 . 14 1 1 A 34 34 GLY HA2 H 34 3.642 3.679 -0.037 1
1 387 . 14 1 1 A 34 34 GLY HA3 H 34 3.976 3.791 0.185 1
1 388 . 14 1 1 A 34 34 GLY CA C 34 45.636 45.239 0.397 1
1 389 . 14 1 1 A 34 34 GLY N N 34 114.254 110.779 3.475 1
1 390 . 14 1 1 A 35 35 TRP H H 35 7.725 7.770 -0.045 1
1 391 . 14 1 1 A 35 35 TRP HA H 35 4.785 4.976 -0.191 1
1 400 . 14 1 1 A 35 35 TRP CA C 35 55.641 56.685 -1.044 1
1 401 . 14 1 1 A 35 35 TRP CB C 35 31.352 31.498 -0.146 1
1 407 . 14 1 1 A 35 35 TRP N N 35 120.008 121.391 -1.383 1
1 409 . 14 1 1 A 36 36 SER H H 36 8.785 9.007 -0.222 1
1 410 . 14 1 1 A 36 36 SER HA H 36 4.587 4.551 0.036 1
1 413 . 14 1 1 A 36 36 SER CA C 36 58.364 60.799 -2.435 1
1 414 . 14 1 1 A 36 36 SER CB C 36 64.741 63.193 1.548 1
1 415 . 14 1 1 A 36 36 SER N N 36 117.243 121.179 -3.936 1
1 416 . 14 1 1 A 37 37 SER HA H 37 4.491 4.838 -0.347 1
1 419 . 14 1 1 A 37 37 SER CA C 37 60.248 56.944 3.304 1
1 420 . 14 1 1 A 37 37 SER CB C 37 63.340 63.244 0.096 1
1 421 . 14 1 1 A 38 38 LYS HA H 38 4.155 4.703 -0.548 1
1 430 . 14 1 1 A 38 38 LYS CA C 38 58.001 57.672 0.329 1
1 431 . 14 1 1 A 38 38 LYS CB C 38 32.378 36.016 -3.638 1
1 435 . 14 1 1 A 39 39 HIS H H 39 8.245 8.097 0.148 1
1 436 . 14 1 1 A 39 39 HIS HA H 39 4.460 4.792 -0.332 1
1 441 . 14 1 1 A 39 39 HIS CA C 39 56.031 54.190 1.841 1
1 442 . 14 1 1 A 39 39 HIS CB C 39 30.068 29.420 0.648 1
1 445 . 14 1 1 A 39 39 HIS N N 39 117.908 116.569 1.339 1
1 446 . 14 1 1 A 40 40 ASN H H 40 7.746 8.893 -1.147 1
1 447 . 14 1 1 A 40 40 ASN HA H 40 5.176 5.540 -0.364 1
1 452 . 14 1 1 A 40 40 ASN C C 40 176.114 174.396 1.718 1
1 453 . 14 1 1 A 40 40 ASN CA C 40 54.102 51.945 2.157 1
1 454 . 14 1 1 A 40 40 ASN CB C 40 37.123 42.117 -4.994 1
1 455 . 14 1 1 A 40 40 ASN N N 40 121.018 121.958 -0.940 1
1 457 . 14 1 1 A 41 41 SER H H 41 8.492 8.691 -0.199 1
1 458 . 14 1 1 A 41 41 SER HA H 41 4.866 5.328 -0.462 1
1 461 . 14 1 1 A 41 41 SER C C 41 172.479 172.967 -0.488 1
1 462 . 14 1 1 A 41 41 SER CA C 41 57.145 56.742 0.403 1
1 463 . 14 1 1 A 41 41 SER CB C 41 66.057 65.844 0.213 1
1 464 . 14 1 1 A 41 41 SER N N 41 115.675 117.518 -1.843 1
1 465 . 14 1 1 A 42 42 TRP H H 42 8.604 9.104 -0.500 1
1 466 . 14 1 1 A 42 42 TRP HA H 42 4.980 5.162 -0.182 1
1 475 . 14 1 1 A 42 42 TRP C C 42 177.025 175.800 1.225 1
1 476 . 14 1 1 A 42 42 TRP CA C 42 56.477 55.913 0.564 1
1 477 . 14 1 1 A 42 42 TRP CB C 42 29.625 29.814 -0.189 1
1 483 . 14 1 1 A 42 42 TRP N N 42 123.109 125.953 -2.844 1
1 485 . 14 1 1 A 43 43 GLU H H 43 9.916 8.554 1.362 1
1 486 . 14 1 1 A 43 43 GLU HA H 43 5.225 4.918 0.307 1
1 491 . 14 1 1 A 43 43 GLU C C 43 174.192 174.182 0.010 1
1 492 . 14 1 1 A 43 43 GLU CA C 43 52.230 53.178 -0.948 1
1 493 . 14 1 1 A 43 43 GLU CB C 43 32.537 30.856 1.681 1
1 495 . 14 1 1 A 43 43 GLU N N 43 125.182 124.890 0.292 1
1 496 . 14 1 1 A 44 44 PRO HA H 44 4.934 4.909 0.025 1
1 503 . 14 1 1 A 44 44 PRO C C 44 177.782 177.876 -0.094 1
1 504 . 14 1 1 A 44 44 PRO CA C 44 62.525 62.653 -0.128 1
1 505 . 14 1 1 A 44 44 PRO CB C 44 32.730 32.780 -0.050 1
1 508 . 14 1 1 A 45 45 GLU H H 45 8.637 9.408 -0.771 1
1 509 . 14 1 1 A 45 45 GLU HA H 45 3.965 4.118 -0.153 1
1 514 . 14 1 1 A 45 45 GLU C C 45 177.990 178.497 -0.507 1
1 515 . 14 1 1 A 45 45 GLU CA C 45 60.293 59.705 0.588 1
1 516 . 14 1 1 A 45 45 GLU CB C 45 30.235 29.749 0.486 1
1 518 . 14 1 1 A 45 45 GLU N N 45 120.441 123.918 -3.477 1
1 519 . 14 1 1 A 46 46 GLU H H 46 9.698 8.680 1.018 1
1 520 . 14 1 1 A 46 46 GLU HA H 46 4.243 4.108 0.135 1
1 525 . 14 1 1 A 46 46 GLU C C 46 176.547 178.178 -1.631 1
1 526 . 14 1 1 A 46 46 GLU CA C 46 58.693 58.933 -0.240 1
1 527 . 14 1 1 A 46 46 GLU CB C 46 28.448 28.568 -0.120 1
1 529 . 14 1 1 A 46 46 GLU N N 46 117.193 117.030 0.163 1
1 530 . 14 1 1 A 47 47 ASN H H 47 8.119 8.246 -0.127 1
1 531 . 14 1 1 A 47 47 ASN HA H 47 4.922 4.770 0.152 1
1 536 . 14 1 1 A 47 47 ASN C C 47 175.293 176.143 -0.850 1
1 537 . 14 1 1 A 47 47 ASN CA C 47 52.430 54.886 -2.456 1
1 538 . 14 1 1 A 47 47 ASN CB C 47 38.439 39.150 -0.711 1
1 539 . 14 1 1 A 47 47 ASN N N 47 118.023 116.336 1.687 1
1 541 . 14 1 1 A 48 48 ILE H H 48 7.695 7.609 0.086 1
1 542 . 14 1 1 A 48 48 ILE HA H 48 4.075 4.150 -0.075 1
1 552 . 14 1 1 A 48 48 ILE C C 48 175.029 175.568 -0.539 1
1 553 . 14 1 1 A 48 48 ILE CA C 48 59.749 61.861 -2.112 1
1 554 . 14 1 1 A 48 48 ILE CB C 48 35.109 37.041 -1.932 1
1 558 . 14 1 1 A 48 48 ILE N N 48 121.906 120.204 1.702 1
1 559 . 14 1 1 A 49 49 LEU H H 49 8.137 8.334 -0.197 1
1 560 . 14 1 1 A 49 49 LEU HA H 49 4.286 4.318 -0.032 1
1 570 . 14 1 1 A 49 49 LEU C C 49 176.808 177.401 -0.593 1
1 571 . 14 1 1 A 49 49 LEU CA C 49 55.748 57.305 -1.557 1
1 572 . 14 1 1 A 49 49 LEU CB C 49 42.088 42.945 -0.857 1
1 576 . 14 1 1 A 49 49 LEU N N 49 125.062 129.516 -4.454 1
1 577 . 14 1 1 A 50 50 ASP H H 50 7.284 7.925 -0.641 1
1 578 . 14 1 1 A 50 50 ASP HA H 50 5.077 4.837 0.240 1
1 581 . 14 1 1 A 50 50 ASP C C 50 174.968 175.929 -0.961 1
1 582 . 14 1 1 A 50 50 ASP CA C 50 50.443 51.936 -1.493 1
1 583 . 14 1 1 A 50 50 ASP CB C 50 41.822 40.892 0.930 1
1 584 . 14 1 1 A 50 50 ASP N N 50 118.019 118.502 -0.483 1
1 585 . 14 1 1 A 51 51 PRO HA H 51 4.258 4.287 -0.029 1
1 592 . 14 1 1 A 51 51 PRO C C 51 179.037 178.722 0.315 1
1 593 . 14 1 1 A 51 51 PRO CA C 51 64.372 64.796 -0.424 1
1 594 . 14 1 1 A 51 51 PRO CB C 51 32.382 32.121 0.261 1
1 597 . 14 1 1 A 52 52 ARG H H 52 8.253 8.378 -0.125 1
1 598 . 14 1 1 A 52 52 ARG HA H 52 3.995 4.047 -0.052 1
1 605 . 14 1 1 A 52 52 ARG C C 52 179.774 178.909 0.865 1
1 606 . 14 1 1 A 52 52 ARG CA C 52 59.255 59.136 0.119 1
1 607 . 14 1 1 A 52 52 ARG CB C 52 29.608 29.956 -0.348 1
1 610 . 14 1 1 A 52 52 ARG N N 52 117.657 118.512 -0.855 1
1 611 . 14 1 1 A 53 53 LEU H H 53 7.576 7.922 -0.346 1
1 612 . 14 1 1 A 53 53 LEU HA H 53 4.043 3.934 0.109 1
1 622 . 14 1 1 A 53 53 LEU C C 53 180.197 179.092 1.105 1
1 623 . 14 1 1 A 53 53 LEU CA C 53 57.620 57.610 0.010 1
1 624 . 14 1 1 A 53 53 LEU CB C 53 42.080 41.623 0.457 1
1 628 . 14 1 1 A 53 53 LEU N N 53 118.887 120.367 -1.480 1
1 629 . 14 1 1 A 54 54 LEU H H 54 7.185 8.080 -0.895 1
1 630 . 14 1 1 A 54 54 LEU HA H 54 3.966 3.684 0.282 1
1 640 . 14 1 1 A 54 54 LEU C C 54 178.631 179.191 -0.560 1
1 641 . 14 1 1 A 54 54 LEU CA C 54 57.549 58.004 -0.455 1
1 642 . 14 1 1 A 54 54 LEU CB C 54 41.646 41.514 0.132 1
1 646 . 14 1 1 A 54 54 LEU N N 54 119.814 117.683 2.131 1
1 647 . 14 1 1 A 55 55 LEU H H 55 7.791 8.410 -0.619 1
1 648 . 14 1 1 A 55 55 LEU HA H 55 4.132 3.789 0.343 1
1 658 . 14 1 1 A 55 55 LEU C C 55 179.501 178.596 0.905 1
1 659 . 14 1 1 A 55 55 LEU CA C 55 58.007 58.161 -0.154 1
1 660 . 14 1 1 A 55 55 LEU CB C 55 41.523 41.427 0.096 1
1 664 . 14 1 1 A 55 55 LEU N N 55 120.290 118.506 1.784 1
1 665 . 14 1 1 A 56 56 ALA H H 56 7.771 8.370 -0.599 1
1 666 . 14 1 1 A 56 56 ALA HA H 56 4.145 4.080 0.065 1
1 670 . 14 1 1 A 56 56 ALA C C 56 180.157 180.154 0.003 1
1 671 . 14 1 1 A 56 56 ALA CA C 56 54.963 55.171 -0.208 1
1 672 . 14 1 1 A 56 56 ALA CB C 56 18.232 18.595 -0.363 1
1 673 . 14 1 1 A 56 56 ALA N N 56 119.874 120.411 -0.537 1
1 674 . 14 1 1 A 57 57 PHE H H 57 7.526 7.408 0.118 1
1 675 . 14 1 1 A 57 57 PHE HA H 57 4.451 4.137 0.314 1
1 683 . 14 1 1 A 57 57 PHE C C 57 176.838 177.411 -0.573 1
1 684 . 14 1 1 A 57 57 PHE CA C 57 60.822 61.388 -0.566 1
1 685 . 14 1 1 A 57 57 PHE CB C 57 39.878 39.258 0.620 1
1 691 . 14 1 1 A 57 57 PHE N N 57 119.210 119.313 -0.103 1
1 692 . 14 1 1 A 58 58 GLN H H 58 8.415 8.568 -0.153 1
1 693 . 14 1 1 A 58 58 GLN HA H 58 3.874 3.876 -0.002 1
1 700 . 14 1 1 A 58 58 GLN C C 58 178.639 178.675 -0.036 1
1 701 . 14 1 1 A 58 58 GLN CA C 58 58.499 59.309 -0.810 1
1 702 . 14 1 1 A 58 58 GLN CB C 58 28.325 28.217 0.108 1
1 704 . 14 1 1 A 58 58 GLN N N 58 118.702 117.378 1.324 1
1 706 . 14 1 1 A 59 59 LYS H H 59 7.918 8.202 -0.284 1
1 707 . 14 1 1 A 59 59 LYS HA H 59 4.121 4.118 0.003 1
1 716 . 14 1 1 A 59 59 LYS C C 59 178.269 179.586 -1.317 1
1 717 . 14 1 1 A 59 59 LYS CA C 59 58.921 59.410 -0.489 1
1 718 . 14 1 1 A 59 59 LYS CB C 59 32.437 32.250 0.187 1
1 722 . 14 1 1 A 59 59 LYS N N 59 119.131 119.370 -0.239 1
1 723 . 14 1 1 A 60 60 LYS H H 60 7.595 7.730 -0.135 1
1 724 . 14 1 1 A 60 60 LYS HA H 60 4.133 4.014 0.119 1
1 733 . 14 1 1 A 60 60 LYS C C 60 178.836 179.490 -0.654 1
1 734 . 14 1 1 A 60 60 LYS CA C 60 58.323 59.761 -1.438 1
1 735 . 14 1 1 A 60 60 LYS CB C 60 32.150 32.127 0.023 1
1 739 . 14 1 1 A 60 60 LYS N N 60 120.016 119.671 0.345 1
1 740 . 14 1 1 A 61 61 GLU H H 61 8.095 8.239 -0.144 1
1 741 . 14 1 1 A 61 61 GLU HA H 61 3.936 3.801 0.135 1
1 746 . 14 1 1 A 61 61 GLU C C 61 178.233 178.807 -0.574 1
1 747 . 14 1 1 A 61 61 GLU CA C 61 58.605 59.387 -0.782 1
1 748 . 14 1 1 A 61 61 GLU CB C 61 29.806 29.206 0.600 1
1 750 . 14 1 1 A 61 61 GLU N N 61 119.560 119.395 0.165 1
1 751 . 14 1 1 A 62 62 HIS H H 62 8.037 7.700 0.337 1
1 752 . 14 1 1 A 62 62 HIS HA H 62 4.517 4.036 0.481 1
1 757 . 14 1 1 A 62 62 HIS C C 62 176.449 176.687 -0.238 1
1 758 . 14 1 1 A 62 62 HIS CA C 62 57.740 59.976 -2.236 1
1 759 . 14 1 1 A 62 62 HIS CB C 62 29.928 29.827 0.101 1
1 762 . 14 1 1 A 62 62 HIS N N 62 118.437 119.728 -1.291 1
1 763 . 14 1 1 A 63 63 GLU H H 63 8.010 8.363 -0.353 1
1 764 . 14 1 1 A 63 63 GLU HA H 63 4.096 3.896 0.200 1
1 769 . 14 1 1 A 63 63 GLU C C 63 177.485 178.993 -1.508 1
1 770 . 14 1 1 A 63 63 GLU CA C 63 57.954 59.610 -1.656 1
1 771 . 14 1 1 A 63 63 GLU CB C 63 29.783 29.128 0.655 1
1 773 . 14 1 1 A 63 63 GLU N N 63 119.622 117.541 2.081 1
1 774 . 14 1 1 A 64 64 LYS H H 64 7.874 7.571 0.303 1
1 775 . 14 1 1 A 64 64 LYS HA H 64 4.213 3.944 0.269 1
1 784 . 14 1 1 A 64 64 LYS C C 64 177.341 177.731 -0.390 1
1 785 . 14 1 1 A 64 64 LYS CA C 64 57.479 59.761 -2.282 1
1 786 . 14 1 1 A 64 64 LYS CB C 64 32.684 32.262 0.422 1
1 790 . 14 1 1 A 64 64 LYS N N 64 119.617 120.099 -0.482 1
1 791 . 14 1 1 A 65 65 GLU H H 65 8.044 7.991 0.053 1
1 792 . 14 1 1 A 65 65 GLU HA H 65 4.236 4.238 -0.002 1
1 797 . 14 1 1 A 65 65 GLU C C 65 177.451 175.865 1.586 1
1 798 . 14 1 1 A 65 65 GLU CA C 65 57.426 56.845 0.581 1
1 799 . 14 1 1 A 65 65 GLU CB C 65 29.971 29.970 0.001 1
1 801 . 14 1 1 A 65 65 GLU N N 65 120.606 118.582 2.024 1
1 802 . 14 1 1 A 66 66 VAL H H 66 8.028 8.850 -0.822 1
1 803 . 14 1 1 A 66 66 VAL HA H 66 4.035 4.946 -0.911 1
1 811 . 14 1 1 A 66 66 VAL C C 66 176.848 174.411 2.437 1
1 812 . 14 1 1 A 66 66 VAL CA C 66 63.160 60.544 2.616 1
1 813 . 14 1 1 A 66 66 VAL CB C 66 32.396 33.905 -1.509 1
1 816 . 14 1 1 A 66 66 VAL N N 66 119.834 120.320 -0.486 1
1 817 . 14 1 1 A 67 67 GLN H H 67 8.265 8.656 -0.391 1
1 818 . 14 1 1 A 67 67 GLN HA H 67 4.313 4.707 -0.394 1
1 825 . 14 1 1 A 67 67 GLN C C 67 176.073 173.873 2.200 1
1 826 . 14 1 1 A 67 67 GLN CA C 67 56.283 54.527 1.756 1
1 827 . 14 1 1 A 67 67 GLN CB C 67 29.216 33.130 -3.914 1
1 829 . 14 1 1 A 67 67 GLN N N 67 122.698 125.469 -2.771 1
1 831 . 14 1 1 A 68 68 ASN H H 68 8.391 8.804 -0.413 1
1 832 . 14 1 1 A 68 68 ASN HA H 68 4.782 4.819 -0.037 1
1 837 . 14 1 1 A 68 68 ASN C C 68 175.242 176.424 -1.182 1
1 838 . 14 1 1 A 68 68 ASN CA C 68 53.487 53.203 0.284 1
1 839 . 14 1 1 A 68 68 ASN CB C 68 39.138 40.340 -1.202 1
1 840 . 14 1 1 A 68 68 ASN N N 68 119.609 122.976 -3.367 1
1 842 . 14 1 1 A 69 69 SER H H 69 8.272 8.953 -0.681 1
1 843 . 14 1 1 A 69 69 SER HA H 69 4.501 4.170 0.331 1
1 846 . 14 1 1 A 69 69 SER C C 69 174.630 175.107 -0.477 1
1 847 . 14 1 1 A 69 69 SER CA C 69 58.587 62.403 -3.816 1
1 848 . 14 1 1 A 69 69 SER CB C 69 64.174 62.844 1.330 1
1 849 . 14 1 1 A 69 69 SER N N 69 116.106 119.764 -3.658 1
1 850 . 14 1 1 A 70 70 GLY H H 70 8.251 7.375 0.876 1
1 851 . 14 1 1 A 70 70 GLY HA2 H 70 4.175 4.055 0.120 1
1 852 . 14 1 1 A 70 70 GLY HA3 H 70 4.144 4.057 0.087 1
1 853 . 14 1 1 A 70 70 GLY C C 70 171.843 173.577 -1.734 1
1 854 . 14 1 1 A 70 70 GLY CA C 70 44.709 45.032 -0.323 1
1 855 . 14 1 1 A 70 70 GLY N N 70 110.658 108.513 2.145 1
1 856 . 14 1 1 A 71 71 PRO HA H 71 4.501 4.554 -0.053 1
1 863 . 14 1 1 A 71 71 PRO C C 71 177.457 175.952 1.505 1
1 864 . 14 1 1 A 71 71 PRO CA C 71 63.300 62.532 0.768 1
1 865 . 14 1 1 A 71 71 PRO CB C 71 32.008 32.331 -0.323 1
1 868 . 14 1 1 A 72 72 SER H H 72 8.536 8.513 0.023 1
1 869 . 14 1 1 A 72 72 SER CA C 72 58.429 57.896 0.533 1
1 1 . 15 1 1 A 6 6 SER HA H 6 4.501 4.517 -0.016 1
1 4 . 15 1 1 A 6 6 SER C C 6 175.089 174.159 0.930 1
1 5 . 15 1 1 A 6 6 SER CA C 6 58.675 59.983 -1.308 1
1 6 . 15 1 1 A 6 6 SER CB C 6 63.909 64.410 -0.501 1
1 7 . 15 1 1 A 7 7 GLY H H 7 8.374 7.835 0.539 1
1 8 . 15 1 1 A 7 7 GLY HA2 H 7 3.966 4.005 -0.039 1
1 9 . 15 1 1 A 7 7 GLY HA3 H 7 3.966 4.014 -0.048 1
1 10 . 15 1 1 A 7 7 GLY C C 7 174.147 173.182 0.965 1
1 11 . 15 1 1 A 7 7 GLY CA C 7 45.359 45.079 0.280 1
1 12 . 15 1 1 A 7 7 GLY N N 7 110.638 107.871 2.767 1
1 13 . 15 1 1 A 8 8 GLU H H 8 8.255 9.020 -0.765 1
1 14 . 15 1 1 A 8 8 GLU HA H 8 4.273 4.745 -0.472 1
1 19 . 15 1 1 A 8 8 GLU C C 8 176.471 175.703 0.768 1
1 20 . 15 1 1 A 8 8 GLU CA C 8 56.582 55.533 1.049 1
1 21 . 15 1 1 A 8 8 GLU CB C 8 30.299 30.221 0.078 1
1 23 . 15 1 1 A 8 8 GLU N N 8 120.542 125.112 -4.570 1
1 24 . 15 1 1 A 9 9 GLN H H 9 8.397 7.603 0.794 1
1 25 . 15 1 1 A 9 9 GLN HA H 9 4.332 4.280 0.052 1
1 32 . 15 1 1 A 9 9 GLN C C 9 175.365 176.243 -0.878 1
1 33 . 15 1 1 A 9 9 GLN CA C 9 55.668 56.738 -1.070 1
1 34 . 15 1 1 A 9 9 GLN CB C 9 29.560 28.911 0.649 1
1 36 . 15 1 1 A 9 9 GLN N N 9 121.410 120.955 0.455 1
1 38 . 15 1 1 A 10 10 VAL H H 10 8.104 8.251 -0.147 1
1 39 . 15 1 1 A 10 10 VAL HA H 10 4.054 3.749 0.305 1
1 47 . 15 1 1 A 10 10 VAL C C 10 175.736 174.802 0.934 1
1 48 . 15 1 1 A 10 10 VAL CA C 10 62.334 62.780 -0.446 1
1 49 . 15 1 1 A 10 10 VAL CB C 10 33.136 32.248 0.888 1
1 52 . 15 1 1 A 10 10 VAL N N 10 121.590 126.252 -4.662 1
1 53 . 15 1 1 A 11 11 PHE H H 11 8.491 8.017 0.474 1
1 54 . 15 1 1 A 11 11 PHE HA H 11 4.696 5.512 -0.816 1
1 62 . 15 1 1 A 11 11 PHE C C 11 174.477 173.353 1.124 1
1 63 . 15 1 1 A 11 11 PHE CA C 11 57.444 55.106 2.338 1
1 64 . 15 1 1 A 11 11 PHE CB C 11 39.467 41.321 -1.854 1
1 70 . 15 1 1 A 11 11 PHE N N 11 125.302 122.368 2.934 1
1 71 . 15 1 1 A 12 12 ALA H H 12 9.203 9.275 -0.072 1
1 72 . 15 1 1 A 12 12 ALA HA H 12 4.866 5.201 -0.335 1
1 76 . 15 1 1 A 12 12 ALA C C 12 176.813 176.050 0.763 1
1 77 . 15 1 1 A 12 12 ALA CA C 12 51.252 51.825 -0.573 1
1 78 . 15 1 1 A 12 12 ALA CB C 12 20.719 20.766 -0.047 1
1 79 . 15 1 1 A 12 12 ALA N N 12 127.219 121.171 6.048 1
1 80 . 15 1 1 A 13 13 ALA H H 13 8.891 9.117 -0.226 1
1 81 . 15 1 1 A 13 13 ALA HA H 13 3.874 4.106 -0.232 1
1 85 . 15 1 1 A 13 13 ALA C C 13 176.194 177.247 -1.053 1
1 86 . 15 1 1 A 13 13 ALA CA C 13 53.380 51.376 2.004 1
1 87 . 15 1 1 A 13 13 ALA CB C 13 19.448 17.962 1.486 1
1 88 . 15 1 1 A 13 13 ALA N N 13 126.618 128.093 -1.475 1
1 89 . 15 1 1 A 14 14 GLU H H 14 9.604 8.847 0.757 1
1 90 . 15 1 1 A 14 14 GLU HA H 14 4.336 4.049 0.287 1
1 95 . 15 1 1 A 14 14 GLU C C 14 176.093 175.987 0.106 1
1 96 . 15 1 1 A 14 14 GLU CA C 14 57.356 59.593 -2.237 1
1 97 . 15 1 1 A 14 14 GLU CB C 14 32.273 30.315 1.958 1
1 99 . 15 1 1 A 14 14 GLU N N 14 123.285 124.030 -0.745 1
1 100 . 15 1 1 A 15 15 CYS H H 15 7.655 7.516 0.139 1
1 101 . 15 1 1 A 15 15 CYS HA H 15 4.527 4.572 -0.045 1
1 104 . 15 1 1 A 15 15 CYS C C 15 171.003 172.694 -1.691 1
1 105 . 15 1 1 A 15 15 CYS CA C 15 56.674 58.406 -1.732 1
1 106 . 15 1 1 A 15 15 CYS CB C 15 29.765 30.791 -1.026 1
1 107 . 15 1 1 A 15 15 CYS N N 15 110.806 116.278 -5.472 1
1 108 . 15 1 1 A 16 16 ILE H H 16 8.316 8.647 -0.331 1
1 109 . 15 1 1 A 16 16 ILE HA H 16 4.344 3.949 0.395 1
1 119 . 15 1 1 A 16 16 ILE C C 16 175.432 175.569 -0.137 1
1 120 . 15 1 1 A 16 16 ILE CA C 16 60.047 61.599 -1.552 1
1 121 . 15 1 1 A 16 16 ILE CB C 16 39.308 37.296 2.012 1
1 125 . 15 1 1 A 16 16 ILE N N 16 121.665 124.761 -3.096 1
1 126 . 15 1 1 A 17 17 LEU H H 17 9.207 8.949 0.258 1
1 127 . 15 1 1 A 17 17 LEU HA H 17 4.425 4.390 0.035 1
1 137 . 15 1 1 A 17 17 LEU C C 17 177.573 176.312 1.261 1
1 138 . 15 1 1 A 17 17 LEU CA C 17 55.825 55.784 0.041 1
1 139 . 15 1 1 A 17 17 LEU CB C 17 44.400 42.421 1.979 1
1 143 . 15 1 1 A 17 17 LEU N N 17 124.728 129.464 -4.736 1
1 144 . 15 1 1 A 18 18 SER H H 18 7.082 7.268 -0.186 1
1 145 . 15 1 1 A 18 18 SER HA H 18 4.778 4.819 -0.041 1
1 148 . 15 1 1 A 18 18 SER C C 18 171.685 172.191 -0.506 1
1 149 . 15 1 1 A 18 18 SER CA C 18 57.075 56.798 0.277 1
1 150 . 15 1 1 A 18 18 SER CB C 18 64.550 65.148 -0.598 1
1 151 . 15 1 1 A 18 18 SER N N 18 110.441 109.282 1.159 1
1 152 . 15 1 1 A 19 19 LYS H H 19 8.745 9.178 -0.433 1
1 153 . 15 1 1 A 19 19 LYS HA H 19 5.836 5.757 0.079 1
1 162 . 15 1 1 A 19 19 LYS C C 19 174.068 174.732 -0.664 1
1 163 . 15 1 1 A 19 19 LYS CA C 19 54.770 54.455 0.315 1
1 164 . 15 1 1 A 19 19 LYS CB C 19 37.493 37.705 -0.212 1
1 168 . 15 1 1 A 19 19 LYS N N 19 120.354 119.700 0.654 1
1 169 . 15 1 1 A 20 20 ARG H H 20 9.264 8.850 0.414 1
1 170 . 15 1 1 A 20 20 ARG HA H 20 4.703 5.141 -0.438 1
1 178 . 15 1 1 A 20 20 ARG C C 20 171.618 174.310 -2.692 1
1 179 . 15 1 1 A 20 20 ARG CA C 20 54.471 54.736 -0.265 1
1 180 . 15 1 1 A 20 20 ARG CB C 20 32.578 34.203 -1.625 1
1 183 . 15 1 1 A 20 20 ARG N N 20 119.809 119.068 0.741 1
1 185 . 15 1 1 A 21 21 LEU H H 21 8.286 8.535 -0.249 1
1 186 . 15 1 1 A 21 21 LEU HA H 21 4.927 4.970 -0.043 1
1 196 . 15 1 1 A 21 21 LEU C C 21 176.880 176.094 0.786 1
1 197 . 15 1 1 A 21 21 LEU CA C 21 53.433 54.368 -0.935 1
1 198 . 15 1 1 A 21 21 LEU CB C 21 43.905 45.098 -1.193 1
1 202 . 15 1 1 A 21 21 LEU N N 21 121.552 122.062 -0.510 1
1 203 . 15 1 1 A 22 22 ARG H H 22 9.146 8.751 0.395 1
1 204 . 15 1 1 A 22 22 ARG HA H 22 4.434 4.424 0.010 1
1 211 . 15 1 1 A 22 22 ARG C C 22 175.379 175.559 -0.180 1
1 212 . 15 1 1 A 22 22 ARG CA C 22 55.468 57.168 -1.700 1
1 213 . 15 1 1 A 22 22 ARG CB C 22 33.049 32.394 0.655 1
1 216 . 15 1 1 A 22 22 ARG N N 22 126.472 128.083 -1.611 1
1 217 . 15 1 1 A 23 23 LYS H H 23 9.505 8.018 1.487 1
1 218 . 15 1 1 A 23 23 LYS HA H 23 3.839 4.424 -0.585 1
1 227 . 15 1 1 A 23 23 LYS C C 23 176.521 176.944 -0.423 1
1 228 . 15 1 1 A 23 23 LYS CA C 23 57.127 54.855 2.272 1
1 229 . 15 1 1 A 23 23 LYS CB C 23 29.988 32.414 -2.426 1
1 233 . 15 1 1 A 24 24 GLY H H 24 8.438 8.597 -0.159 1
1 234 . 15 1 1 A 24 24 GLY HA2 H 24 4.124 3.895 0.229 1
1 235 . 15 1 1 A 24 24 GLY HA3 H 24 3.517 3.898 -0.381 1
1 236 . 15 1 1 A 24 24 GLY C C 24 173.338 174.131 -0.793 1
1 237 . 15 1 1 A 24 24 GLY CA C 24 45.481 46.809 -1.328 1
1 238 . 15 1 1 A 24 24 GLY N N 24 103.048 113.913 -10.865 1
1 239 . 15 1 1 A 25 25 LYS H H 25 7.785 7.773 0.012 1
1 240 . 15 1 1 A 25 25 LYS HA H 25 4.635 4.639 -0.004 1
1 249 . 15 1 1 A 25 25 LYS C C 25 174.733 174.256 0.477 1
1 250 . 15 1 1 A 25 25 LYS CA C 25 54.365 54.757 -0.392 1
1 251 . 15 1 1 A 25 25 LYS CB C 25 34.616 34.684 -0.068 1
1 255 . 15 1 1 A 25 25 LYS N N 25 121.463 119.672 1.791 1
1 256 . 15 1 1 A 26 26 LEU H H 26 8.555 8.592 -0.037 1
1 257 . 15 1 1 A 26 26 LEU HA H 26 4.763 5.052 -0.289 1
1 267 . 15 1 1 A 26 26 LEU C C 26 176.596 174.583 2.013 1
1 268 . 15 1 1 A 26 26 LEU CA C 26 54.999 53.861 1.138 1
1 269 . 15 1 1 A 26 26 LEU CB C 26 43.167 43.495 -0.328 1
1 273 . 15 1 1 A 26 26 LEU N N 26 124.731 126.935 -2.204 1
1 274 . 15 1 1 A 27 27 GLU H H 27 8.944 9.245 -0.301 1
1 275 . 15 1 1 A 27 27 GLU HA H 27 4.923 5.081 -0.158 1
1 280 . 15 1 1 A 27 27 GLU C C 27 174.422 175.062 -0.640 1
1 281 . 15 1 1 A 27 27 GLU CA C 27 53.874 54.795 -0.921 1
1 282 . 15 1 1 A 27 27 GLU CB C 27 35.191 32.609 2.582 1
1 284 . 15 1 1 A 27 27 GLU N N 27 122.189 126.281 -4.092 1
1 285 . 15 1 1 A 28 28 TYR H H 28 9.423 9.417 0.006 1
1 286 . 15 1 1 A 28 28 TYR HA H 28 5.265 5.015 0.250 1
1 293 . 15 1 1 A 28 28 TYR C C 28 174.020 174.626 -0.606 1
1 294 . 15 1 1 A 28 28 TYR CA C 28 56.511 56.743 -0.232 1
1 295 . 15 1 1 A 28 28 TYR CB C 28 41.646 40.555 1.091 1
1 300 . 15 1 1 A 28 28 TYR N N 28 118.361 122.458 -4.097 1
1 301 . 15 1 1 A 29 29 LEU H H 29 7.779 8.636 -0.857 1
1 302 . 15 1 1 A 29 29 LEU HA H 29 3.634 3.360 0.274 1
1 312 . 15 1 1 A 29 29 LEU C C 29 173.992 174.531 -0.539 1
1 313 . 15 1 1 A 29 29 LEU CA C 29 53.680 54.096 -0.416 1
1 314 . 15 1 1 A 29 29 LEU CB C 29 40.115 41.300 -1.185 1
1 318 . 15 1 1 A 29 29 LEU N N 29 127.541 126.359 1.182 1
1 319 . 15 1 1 A 30 30 VAL H H 30 8.936 7.925 1.011 1
1 320 . 15 1 1 A 30 30 VAL HA H 30 3.915 3.995 -0.080 1
1 328 . 15 1 1 A 30 30 VAL C C 30 173.840 174.278 -0.438 1
1 329 . 15 1 1 A 30 30 VAL CA C 30 62.106 61.507 0.599 1
1 330 . 15 1 1 A 30 30 VAL CB C 30 34.458 32.001 2.457 1
1 333 . 15 1 1 A 30 30 VAL N N 30 130.095 128.074 2.021 1
1 334 . 15 1 1 A 31 31 LYS H H 31 7.596 8.145 -0.549 1
1 335 . 15 1 1 A 31 31 LYS HA H 31 4.525 4.735 -0.210 1
1 344 . 15 1 1 A 31 31 LYS C C 31 175.379 174.352 1.027 1
1 345 . 15 1 1 A 31 31 LYS CA C 31 53.574 54.310 -0.736 1
1 346 . 15 1 1 A 31 31 LYS CB C 31 34.848 34.872 -0.024 1
1 350 . 15 1 1 A 31 31 LYS N N 31 123.992 125.957 -1.965 1
1 351 . 15 1 1 A 32 32 TRP H H 32 9.368 8.424 0.944 1
1 352 . 15 1 1 A 32 32 TRP HA H 32 4.816 5.509 -0.693 1
1 361 . 15 1 1 A 32 32 TRP C C 32 176.830 176.069 0.761 1
1 362 . 15 1 1 A 32 32 TRP CA C 32 56.002 56.350 -0.348 1
1 363 . 15 1 1 A 32 32 TRP CB C 32 31.163 31.561 -0.398 1
1 369 . 15 1 1 A 32 32 TRP N N 32 131.754 127.908 3.846 1
1 371 . 15 1 1 A 33 33 ARG H H 33 9.455 8.931 0.524 1
1 372 . 15 1 1 A 33 33 ARG HA H 33 4.345 4.985 -0.640 1
1 379 . 15 1 1 A 33 33 ARG C C 33 178.092 176.997 1.095 1
1 380 . 15 1 1 A 33 33 ARG CA C 33 57.590 55.492 2.098 1
1 381 . 15 1 1 A 33 33 ARG CB C 33 30.400 30.976 -0.576 1
1 384 . 15 1 1 A 33 33 ARG N N 33 124.374 123.045 1.329 1
1 385 . 15 1 1 A 34 34 GLY H H 34 9.319 8.478 0.841 1
1 386 . 15 1 1 A 34 34 GLY HA2 H 34 3.642 3.820 -0.178 1
1 387 . 15 1 1 A 34 34 GLY HA3 H 34 3.976 3.894 0.082 1
1 388 . 15 1 1 A 34 34 GLY CA C 34 45.636 45.448 0.188 1
1 389 . 15 1 1 A 34 34 GLY N N 34 114.254 112.818 1.436 1
1 390 . 15 1 1 A 35 35 TRP H H 35 7.725 8.397 -0.672 1
1 391 . 15 1 1 A 35 35 TRP HA H 35 4.785 4.794 -0.009 1
1 400 . 15 1 1 A 35 35 TRP CA C 35 55.641 58.643 -3.002 1
1 401 . 15 1 1 A 35 35 TRP CB C 35 31.352 30.757 0.595 1
1 407 . 15 1 1 A 35 35 TRP N N 35 120.008 120.805 -0.797 1
1 409 . 15 1 1 A 36 36 SER H H 36 8.785 8.034 0.751 1
1 410 . 15 1 1 A 36 36 SER HA H 36 4.587 4.659 -0.072 1
1 413 . 15 1 1 A 36 36 SER CA C 36 58.364 56.703 1.661 1
1 414 . 15 1 1 A 36 36 SER CB C 36 64.741 64.425 0.316 1
1 415 . 15 1 1 A 36 36 SER N N 36 117.243 110.528 6.715 1
1 416 . 15 1 1 A 37 37 SER HA H 37 4.491 4.267 0.224 1
1 419 . 15 1 1 A 37 37 SER CA C 37 60.248 61.610 -1.362 1
1 420 . 15 1 1 A 37 37 SER CB C 37 63.340 62.857 0.483 1
1 421 . 15 1 1 A 38 38 LYS HA H 38 4.155 4.145 0.010 1
1 430 . 15 1 1 A 38 38 LYS CA C 38 58.001 58.777 -0.776 1
1 431 . 15 1 1 A 38 38 LYS CB C 38 32.378 31.846 0.532 1
1 435 . 15 1 1 A 39 39 HIS H H 39 8.245 7.858 0.387 1
1 436 . 15 1 1 A 39 39 HIS HA H 39 4.460 4.696 -0.236 1
1 441 . 15 1 1 A 39 39 HIS CA C 39 56.031 54.536 1.495 1
1 442 . 15 1 1 A 39 39 HIS CB C 39 30.068 27.232 2.836 1
1 445 . 15 1 1 A 39 39 HIS N N 39 117.908 115.519 2.389 1
1 446 . 15 1 1 A 40 40 ASN H H 40 7.746 8.448 -0.702 1
1 447 . 15 1 1 A 40 40 ASN HA H 40 5.176 5.485 -0.309 1
1 452 . 15 1 1 A 40 40 ASN C C 40 176.114 174.205 1.909 1
1 453 . 15 1 1 A 40 40 ASN CA C 40 54.102 51.964 2.138 1
1 454 . 15 1 1 A 40 40 ASN CB C 40 37.123 41.437 -4.314 1
1 455 . 15 1 1 A 40 40 ASN N N 40 121.018 118.596 2.422 1
1 457 . 15 1 1 A 41 41 SER H H 41 8.492 8.754 -0.262 1
1 458 . 15 1 1 A 41 41 SER HA H 41 4.866 5.322 -0.456 1
1 461 . 15 1 1 A 41 41 SER C C 41 172.479 172.374 0.105 1
1 462 . 15 1 1 A 41 41 SER CA C 41 57.145 57.184 -0.039 1
1 463 . 15 1 1 A 41 41 SER CB C 41 66.057 66.584 -0.527 1
1 464 . 15 1 1 A 41 41 SER N N 41 115.675 111.593 4.082 1
1 465 . 15 1 1 A 42 42 TRP H H 42 8.604 8.905 -0.301 1
1 466 . 15 1 1 A 42 42 TRP HA H 42 4.980 5.360 -0.380 1
1 475 . 15 1 1 A 42 42 TRP C C 42 177.025 175.517 1.508 1
1 476 . 15 1 1 A 42 42 TRP CA C 42 56.477 55.503 0.974 1
1 477 . 15 1 1 A 42 42 TRP CB C 42 29.625 30.914 -1.289 1
1 483 . 15 1 1 A 42 42 TRP N N 42 123.109 122.518 0.591 1
1 485 . 15 1 1 A 43 43 GLU H H 43 9.916 8.597 1.319 1
1 486 . 15 1 1 A 43 43 GLU HA H 43 5.225 4.893 0.332 1
1 491 . 15 1 1 A 43 43 GLU C C 43 174.192 174.114 0.078 1
1 492 . 15 1 1 A 43 43 GLU CA C 43 52.230 53.234 -1.004 1
1 493 . 15 1 1 A 43 43 GLU CB C 43 32.537 30.901 1.636 1
1 495 . 15 1 1 A 43 43 GLU N N 43 125.182 124.408 0.774 1
1 496 . 15 1 1 A 44 44 PRO HA H 44 4.934 4.926 0.008 1
1 503 . 15 1 1 A 44 44 PRO C C 44 177.782 177.837 -0.055 1
1 504 . 15 1 1 A 44 44 PRO CA C 44 62.525 62.536 -0.011 1
1 505 . 15 1 1 A 44 44 PRO CB C 44 32.730 32.772 -0.042 1
1 508 . 15 1 1 A 45 45 GLU H H 45 8.637 9.119 -0.482 1
1 509 . 15 1 1 A 45 45 GLU HA H 45 3.965 4.148 -0.183 1
1 514 . 15 1 1 A 45 45 GLU C C 45 177.990 178.547 -0.557 1
1 515 . 15 1 1 A 45 45 GLU CA C 45 60.293 59.684 0.609 1
1 516 . 15 1 1 A 45 45 GLU CB C 45 30.235 29.770 0.465 1
1 518 . 15 1 1 A 45 45 GLU N N 45 120.441 123.446 -3.005 1
1 519 . 15 1 1 A 46 46 GLU H H 46 9.698 8.705 0.993 1
1 520 . 15 1 1 A 46 46 GLU HA H 46 4.243 4.094 0.149 1
1 525 . 15 1 1 A 46 46 GLU C C 46 176.547 178.289 -1.742 1
1 526 . 15 1 1 A 46 46 GLU CA C 46 58.693 58.753 -0.060 1
1 527 . 15 1 1 A 46 46 GLU CB C 46 28.448 28.163 0.285 1
1 529 . 15 1 1 A 46 46 GLU N N 46 117.193 117.141 0.052 1
1 530 . 15 1 1 A 47 47 ASN H H 47 8.119 8.305 -0.186 1
1 531 . 15 1 1 A 47 47 ASN HA H 47 4.922 4.750 0.172 1
1 536 . 15 1 1 A 47 47 ASN C C 47 175.293 176.252 -0.959 1
1 537 . 15 1 1 A 47 47 ASN CA C 47 52.430 54.978 -2.548 1
1 538 . 15 1 1 A 47 47 ASN CB C 47 38.439 38.976 -0.537 1
1 539 . 15 1 1 A 47 47 ASN N N 47 118.023 116.229 1.794 1
1 541 . 15 1 1 A 48 48 ILE H H 48 7.695 7.477 0.218 1
1 542 . 15 1 1 A 48 48 ILE HA H 48 4.075 4.182 -0.107 1
1 552 . 15 1 1 A 48 48 ILE C C 48 175.029 175.551 -0.522 1
1 553 . 15 1 1 A 48 48 ILE CA C 48 59.749 61.844 -2.095 1
1 554 . 15 1 1 A 48 48 ILE CB C 48 35.109 37.092 -1.983 1
1 558 . 15 1 1 A 48 48 ILE N N 48 121.906 119.851 2.055 1
1 559 . 15 1 1 A 49 49 LEU H H 49 8.137 8.422 -0.285 1
1 560 . 15 1 1 A 49 49 LEU HA H 49 4.286 4.323 -0.037 1
1 570 . 15 1 1 A 49 49 LEU C C 49 176.808 177.294 -0.486 1
1 571 . 15 1 1 A 49 49 LEU CA C 49 55.748 56.984 -1.236 1
1 572 . 15 1 1 A 49 49 LEU CB C 49 42.088 43.031 -0.943 1
1 576 . 15 1 1 A 49 49 LEU N N 49 125.062 129.506 -4.444 1
1 577 . 15 1 1 A 50 50 ASP H H 50 7.284 7.838 -0.554 1
1 578 . 15 1 1 A 50 50 ASP HA H 50 5.077 4.836 0.241 1
1 581 . 15 1 1 A 50 50 ASP C C 50 174.968 175.874 -0.906 1
1 582 . 15 1 1 A 50 50 ASP CA C 50 50.443 51.981 -1.538 1
1 583 . 15 1 1 A 50 50 ASP CB C 50 41.822 40.881 0.941 1
1 584 . 15 1 1 A 50 50 ASP N N 50 118.019 118.378 -0.359 1
1 585 . 15 1 1 A 51 51 PRO HA H 51 4.258 4.303 -0.045 1
1 592 . 15 1 1 A 51 51 PRO C C 51 179.037 178.729 0.308 1
1 593 . 15 1 1 A 51 51 PRO CA C 51 64.372 64.790 -0.418 1
1 594 . 15 1 1 A 51 51 PRO CB C 51 32.382 32.145 0.237 1
1 597 . 15 1 1 A 52 52 ARG H H 52 8.253 8.381 -0.128 1
1 598 . 15 1 1 A 52 52 ARG HA H 52 3.995 4.060 -0.065 1
1 605 . 15 1 1 A 52 52 ARG C C 52 179.774 178.827 0.947 1
1 606 . 15 1 1 A 52 52 ARG CA C 52 59.255 59.153 0.102 1
1 607 . 15 1 1 A 52 52 ARG CB C 52 29.608 29.946 -0.338 1
1 610 . 15 1 1 A 52 52 ARG N N 52 117.657 118.529 -0.872 1
1 611 . 15 1 1 A 53 53 LEU H H 53 7.576 7.950 -0.374 1
1 612 . 15 1 1 A 53 53 LEU HA H 53 4.043 3.934 0.109 1
1 622 . 15 1 1 A 53 53 LEU C C 53 180.197 179.191 1.006 1
1 623 . 15 1 1 A 53 53 LEU CA C 53 57.620 57.651 -0.031 1
1 624 . 15 1 1 A 53 53 LEU CB C 53 42.080 41.842 0.238 1
1 628 . 15 1 1 A 53 53 LEU N N 53 118.887 120.178 -1.291 1
1 629 . 15 1 1 A 54 54 LEU H H 54 7.185 8.107 -0.922 1
1 630 . 15 1 1 A 54 54 LEU HA H 54 3.966 3.665 0.301 1
1 640 . 15 1 1 A 54 54 LEU C C 54 178.631 179.291 -0.660 1
1 641 . 15 1 1 A 54 54 LEU CA C 54 57.549 57.979 -0.430 1
1 642 . 15 1 1 A 54 54 LEU CB C 54 41.646 41.758 -0.112 1
1 646 . 15 1 1 A 54 54 LEU N N 54 119.814 117.613 2.201 1
1 647 . 15 1 1 A 55 55 LEU H H 55 7.791 8.467 -0.676 1
1 648 . 15 1 1 A 55 55 LEU HA H 55 4.132 3.795 0.337 1
1 658 . 15 1 1 A 55 55 LEU C C 55 179.501 178.620 0.881 1
1 659 . 15 1 1 A 55 55 LEU CA C 55 58.007 58.196 -0.189 1
1 660 . 15 1 1 A 55 55 LEU CB C 55 41.523 41.427 0.096 1
1 664 . 15 1 1 A 55 55 LEU N N 55 120.290 118.390 1.900 1
1 665 . 15 1 1 A 56 56 ALA H H 56 7.771 8.390 -0.619 1
1 666 . 15 1 1 A 56 56 ALA HA H 56 4.145 4.081 0.064 1
1 670 . 15 1 1 A 56 56 ALA C C 56 180.157 180.143 0.014 1
1 671 . 15 1 1 A 56 56 ALA CA C 56 54.963 55.124 -0.161 1
1 672 . 15 1 1 A 56 56 ALA CB C 56 18.232 18.569 -0.337 1
1 673 . 15 1 1 A 56 56 ALA N N 56 119.874 120.211 -0.337 1
1 674 . 15 1 1 A 57 57 PHE H H 57 7.526 7.497 0.029 1
1 675 . 15 1 1 A 57 57 PHE HA H 57 4.451 4.141 0.310 1
1 683 . 15 1 1 A 57 57 PHE C C 57 176.838 177.431 -0.593 1
1 684 . 15 1 1 A 57 57 PHE CA C 57 60.822 61.423 -0.601 1
1 685 . 15 1 1 A 57 57 PHE CB C 57 39.878 39.189 0.689 1
1 691 . 15 1 1 A 57 57 PHE N N 57 119.210 119.242 -0.032 1
1 692 . 15 1 1 A 58 58 GLN H H 58 8.415 8.676 -0.261 1
1 693 . 15 1 1 A 58 58 GLN HA H 58 3.874 3.895 -0.021 1
1 700 . 15 1 1 A 58 58 GLN C C 58 178.639 178.534 0.105 1
1 701 . 15 1 1 A 58 58 GLN CA C 58 58.499 59.258 -0.759 1
1 702 . 15 1 1 A 58 58 GLN CB C 58 28.325 28.341 -0.016 1
1 704 . 15 1 1 A 58 58 GLN N N 58 118.702 117.824 0.878 1
1 706 . 15 1 1 A 59 59 LYS H H 59 7.918 7.973 -0.055 1
1 707 . 15 1 1 A 59 59 LYS HA H 59 4.121 4.022 0.099 1
1 716 . 15 1 1 A 59 59 LYS C C 59 178.269 178.974 -0.705 1
1 717 . 15 1 1 A 59 59 LYS CA C 59 58.921 59.386 -0.465 1
1 718 . 15 1 1 A 59 59 LYS CB C 59 32.437 32.437 0.000 1
1 722 . 15 1 1 A 59 59 LYS N N 59 119.131 120.424 -1.293 1
1 723 . 15 1 1 A 60 60 LYS H H 60 7.595 7.765 -0.170 1
1 724 . 15 1 1 A 60 60 LYS HA H 60 4.133 4.041 0.092 1
1 733 . 15 1 1 A 60 60 LYS C C 60 178.836 179.416 -0.580 1
1 734 . 15 1 1 A 60 60 LYS CA C 60 58.323 59.714 -1.391 1
1 735 . 15 1 1 A 60 60 LYS CB C 60 32.150 31.990 0.160 1
1 739 . 15 1 1 A 60 60 LYS N N 60 120.016 118.666 1.350 1
1 740 . 15 1 1 A 61 61 GLU H H 61 8.095 8.266 -0.171 1
1 741 . 15 1 1 A 61 61 GLU HA H 61 3.936 3.805 0.131 1
1 746 . 15 1 1 A 61 61 GLU C C 61 178.233 178.975 -0.742 1
1 747 . 15 1 1 A 61 61 GLU CA C 61 58.605 59.136 -0.531 1
1 748 . 15 1 1 A 61 61 GLU CB C 61 29.806 29.307 0.499 1
1 750 . 15 1 1 A 61 61 GLU N N 61 119.560 119.839 -0.279 1
1 751 . 15 1 1 A 62 62 HIS H H 62 8.037 8.159 -0.122 1
1 752 . 15 1 1 A 62 62 HIS HA H 62 4.517 4.187 0.330 1
1 757 . 15 1 1 A 62 62 HIS C C 62 176.449 176.986 -0.537 1
1 758 . 15 1 1 A 62 62 HIS CA C 62 57.740 59.829 -2.089 1
1 759 . 15 1 1 A 62 62 HIS CB C 62 29.928 29.515 0.413 1
1 762 . 15 1 1 A 62 62 HIS N N 62 118.437 120.443 -2.006 1
1 763 . 15 1 1 A 63 63 GLU H H 63 8.010 8.187 -0.177 1
1 764 . 15 1 1 A 63 63 GLU HA H 63 4.096 4.243 -0.147 1
1 769 . 15 1 1 A 63 63 GLU C C 63 177.485 178.763 -1.278 1
1 770 . 15 1 1 A 63 63 GLU CA C 63 57.954 58.714 -0.760 1
1 771 . 15 1 1 A 63 63 GLU CB C 63 29.783 30.132 -0.349 1
1 773 . 15 1 1 A 63 63 GLU N N 63 119.622 119.458 0.164 1
1 774 . 15 1 1 A 64 64 LYS H H 64 7.874 8.268 -0.394 1
1 775 . 15 1 1 A 64 64 LYS HA H 64 4.213 3.984 0.229 1
1 784 . 15 1 1 A 64 64 LYS C C 64 177.341 177.548 -0.207 1
1 785 . 15 1 1 A 64 64 LYS CA C 64 57.479 59.306 -1.827 1
1 786 . 15 1 1 A 64 64 LYS CB C 64 32.684 32.056 0.628 1
1 790 . 15 1 1 A 64 64 LYS N N 64 119.617 120.144 -0.527 1
1 791 . 15 1 1 A 65 65 GLU H H 65 8.044 7.535 0.509 1
1 792 . 15 1 1 A 65 65 GLU HA H 65 4.236 4.428 -0.192 1
1 797 . 15 1 1 A 65 65 GLU C C 65 177.451 175.956 1.495 1
1 798 . 15 1 1 A 65 65 GLU CA C 65 57.426 55.344 2.082 1
1 799 . 15 1 1 A 65 65 GLU CB C 65 29.971 29.310 0.661 1
1 801 . 15 1 1 A 65 65 GLU N N 65 120.606 118.946 1.660 1
1 802 . 15 1 1 A 66 66 VAL H H 66 8.028 7.802 0.226 1
1 803 . 15 1 1 A 66 66 VAL HA H 66 4.035 3.745 0.290 1
1 811 . 15 1 1 A 66 66 VAL C C 66 176.848 174.360 2.488 1
1 812 . 15 1 1 A 66 66 VAL CA C 66 63.160 63.175 -0.015 1
1 813 . 15 1 1 A 66 66 VAL CB C 66 32.396 29.586 2.810 1
1 816 . 15 1 1 A 66 66 VAL N N 66 119.834 115.096 4.738 1
1 817 . 15 1 1 A 67 67 GLN H H 67 8.265 7.363 0.902 1
1 818 . 15 1 1 A 67 67 GLN HA H 67 4.313 4.684 -0.371 1
1 825 . 15 1 1 A 67 67 GLN C C 67 176.073 174.886 1.187 1
1 826 . 15 1 1 A 67 67 GLN CA C 67 56.283 54.335 1.948 1
1 827 . 15 1 1 A 67 67 GLN CB C 67 29.216 29.611 -0.395 1
1 829 . 15 1 1 A 67 67 GLN N N 67 122.698 120.223 2.475 1
1 831 . 15 1 1 A 68 68 ASN H H 68 8.391 8.757 -0.366 1
1 832 . 15 1 1 A 68 68 ASN HA H 68 4.782 4.660 0.122 1
1 837 . 15 1 1 A 68 68 ASN C C 68 175.242 176.992 -1.750 1
1 838 . 15 1 1 A 68 68 ASN CA C 68 53.487 53.947 -0.460 1
1 839 . 15 1 1 A 68 68 ASN CB C 68 39.138 39.208 -0.070 1
1 840 . 15 1 1 A 68 68 ASN N N 68 119.609 126.560 -6.951 1
1 842 . 15 1 1 A 69 69 SER H H 69 8.272 8.707 -0.435 1
1 843 . 15 1 1 A 69 69 SER HA H 69 4.501 4.450 0.051 1
1 846 . 15 1 1 A 69 69 SER C C 69 174.630 175.471 -0.841 1
1 847 . 15 1 1 A 69 69 SER CA C 69 58.587 61.359 -2.772 1
1 848 . 15 1 1 A 69 69 SER CB C 69 64.174 63.267 0.907 1
1 849 . 15 1 1 A 69 69 SER N N 69 116.106 116.009 0.097 1
1 850 . 15 1 1 A 70 70 GLY H H 70 8.251 7.780 0.471 1
1 851 . 15 1 1 A 70 70 GLY HA2 H 70 4.175 4.051 0.124 1
1 852 . 15 1 1 A 70 70 GLY HA3 H 70 4.144 4.059 0.085 1
1 853 . 15 1 1 A 70 70 GLY C C 70 171.843 172.998 -1.155 1
1 854 . 15 1 1 A 70 70 GLY CA C 70 44.709 44.589 0.120 1
1 855 . 15 1 1 A 70 70 GLY N N 70 110.658 109.371 1.287 1
1 856 . 15 1 1 A 71 71 PRO HA H 71 4.501 4.620 -0.119 1
1 863 . 15 1 1 A 71 71 PRO C C 71 177.457 177.043 0.414 1
1 864 . 15 1 1 A 71 71 PRO CA C 71 63.300 62.511 0.789 1
1 865 . 15 1 1 A 71 71 PRO CB C 71 32.008 31.517 0.491 1
1 868 . 15 1 1 A 72 72 SER H H 72 8.536 8.322 0.214 1
1 869 . 15 1 1 A 72 72 SER CA C 72 58.429 60.027 -1.598 1
1 1 . 16 1 1 A 6 6 SER HA H 6 4.501 4.944 -0.443 1
1 4 . 16 1 1 A 6 6 SER C C 6 175.089 174.800 0.289 1
1 5 . 16 1 1 A 6 6 SER CA C 6 58.675 58.208 0.467 1
1 6 . 16 1 1 A 6 6 SER CB C 6 63.909 64.721 -0.812 1
1 7 . 16 1 1 A 7 7 GLY H H 7 8.374 8.516 -0.142 1
1 8 . 16 1 1 A 7 7 GLY HA2 H 7 3.966 4.124 -0.158 1
1 9 . 16 1 1 A 7 7 GLY HA3 H 7 3.966 4.132 -0.166 1
1 10 . 16 1 1 A 7 7 GLY C C 7 174.147 174.356 -0.209 1
1 11 . 16 1 1 A 7 7 GLY CA C 7 45.359 45.180 0.179 1
1 12 . 16 1 1 A 7 7 GLY N N 7 110.638 112.704 -2.066 1
1 13 . 16 1 1 A 8 8 GLU H H 8 8.255 7.941 0.314 1
1 14 . 16 1 1 A 8 8 GLU HA H 8 4.273 4.487 -0.214 1
1 19 . 16 1 1 A 8 8 GLU C C 8 176.471 175.824 0.647 1
1 20 . 16 1 1 A 8 8 GLU CA C 8 56.582 55.007 1.575 1
1 21 . 16 1 1 A 8 8 GLU CB C 8 30.299 31.825 -1.526 1
1 23 . 16 1 1 A 8 8 GLU N N 8 120.542 119.433 1.109 1
1 24 . 16 1 1 A 9 9 GLN H H 9 8.397 8.378 0.019 1
1 25 . 16 1 1 A 9 9 GLN HA H 9 4.332 4.024 0.308 1
1 32 . 16 1 1 A 9 9 GLN C C 9 175.365 175.388 -0.023 1
1 33 . 16 1 1 A 9 9 GLN CA C 9 55.668 56.014 -0.346 1
1 34 . 16 1 1 A 9 9 GLN CB C 9 29.560 28.429 1.131 1
1 36 . 16 1 1 A 9 9 GLN N N 9 121.410 124.016 -2.606 1
1 38 . 16 1 1 A 10 10 VAL H H 10 8.104 8.397 -0.293 1
1 39 . 16 1 1 A 10 10 VAL HA H 10 4.054 3.889 0.165 1
1 47 . 16 1 1 A 10 10 VAL C C 10 175.736 175.361 0.375 1
1 48 . 16 1 1 A 10 10 VAL CA C 10 62.334 62.965 -0.631 1
1 49 . 16 1 1 A 10 10 VAL CB C 10 33.136 31.816 1.320 1
1 52 . 16 1 1 A 10 10 VAL N N 10 121.590 125.193 -3.603 1
1 53 . 16 1 1 A 11 11 PHE H H 11 8.491 8.977 -0.486 1
1 54 . 16 1 1 A 11 11 PHE HA H 11 4.696 4.991 -0.295 1
1 62 . 16 1 1 A 11 11 PHE C C 11 174.477 174.808 -0.331 1
1 63 . 16 1 1 A 11 11 PHE CA C 11 57.444 56.717 0.727 1
1 64 . 16 1 1 A 11 11 PHE CB C 11 39.467 40.813 -1.346 1
1 70 . 16 1 1 A 11 11 PHE N N 11 125.302 127.314 -2.012 1
1 71 . 16 1 1 A 12 12 ALA H H 12 9.203 9.113 0.090 1
1 72 . 16 1 1 A 12 12 ALA HA H 12 4.866 5.136 -0.270 1
1 76 . 16 1 1 A 12 12 ALA C C 12 176.813 175.987 0.826 1
1 77 . 16 1 1 A 12 12 ALA CA C 12 51.252 50.911 0.341 1
1 78 . 16 1 1 A 12 12 ALA CB C 12 20.719 20.138 0.581 1
1 79 . 16 1 1 A 12 12 ALA N N 12 127.219 126.912 0.307 1
1 80 . 16 1 1 A 13 13 ALA H H 13 8.891 9.059 -0.168 1
1 81 . 16 1 1 A 13 13 ALA HA H 13 3.874 3.970 -0.096 1
1 85 . 16 1 1 A 13 13 ALA C C 13 176.194 177.303 -1.109 1
1 86 . 16 1 1 A 13 13 ALA CA C 13 53.380 52.112 1.268 1
1 87 . 16 1 1 A 13 13 ALA CB C 13 19.448 18.834 0.614 1
1 88 . 16 1 1 A 13 13 ALA N N 13 126.618 127.759 -1.141 1
1 89 . 16 1 1 A 14 14 GLU H H 14 9.604 9.170 0.434 1
1 90 . 16 1 1 A 14 14 GLU HA H 14 4.336 4.115 0.221 1
1 95 . 16 1 1 A 14 14 GLU C C 14 176.093 175.944 0.149 1
1 96 . 16 1 1 A 14 14 GLU CA C 14 57.356 58.911 -1.555 1
1 97 . 16 1 1 A 14 14 GLU CB C 14 32.273 30.551 1.722 1
1 99 . 16 1 1 A 14 14 GLU N N 14 123.285 125.520 -2.235 1
1 100 . 16 1 1 A 15 15 CYS H H 15 7.655 7.444 0.211 1
1 101 . 16 1 1 A 15 15 CYS HA H 15 4.527 4.557 -0.030 1
1 104 . 16 1 1 A 15 15 CYS C C 15 171.003 172.756 -1.753 1
1 105 . 16 1 1 A 15 15 CYS CA C 15 56.674 58.197 -1.523 1
1 106 . 16 1 1 A 15 15 CYS CB C 15 29.765 30.786 -1.021 1
1 107 . 16 1 1 A 15 15 CYS N N 15 110.806 116.273 -5.467 1
1 108 . 16 1 1 A 16 16 ILE H H 16 8.316 8.629 -0.313 1
1 109 . 16 1 1 A 16 16 ILE HA H 16 4.344 3.940 0.404 1
1 119 . 16 1 1 A 16 16 ILE C C 16 175.432 175.380 0.052 1
1 120 . 16 1 1 A 16 16 ILE CA C 16 60.047 61.687 -1.640 1
1 121 . 16 1 1 A 16 16 ILE CB C 16 39.308 37.526 1.782 1
1 125 . 16 1 1 A 16 16 ILE N N 16 121.665 124.994 -3.329 1
1 126 . 16 1 1 A 17 17 LEU H H 17 9.207 8.888 0.319 1
1 127 . 16 1 1 A 17 17 LEU HA H 17 4.425 4.398 0.027 1
1 137 . 16 1 1 A 17 17 LEU C C 17 177.573 176.548 1.025 1
1 138 . 16 1 1 A 17 17 LEU CA C 17 55.825 55.778 0.047 1
1 139 . 16 1 1 A 17 17 LEU CB C 17 44.400 42.593 1.807 1
1 143 . 16 1 1 A 17 17 LEU N N 17 124.728 129.197 -4.469 1
1 144 . 16 1 1 A 18 18 SER H H 18 7.082 7.353 -0.271 1
1 145 . 16 1 1 A 18 18 SER HA H 18 4.778 4.844 -0.066 1
1 148 . 16 1 1 A 18 18 SER C C 18 171.685 172.284 -0.599 1
1 149 . 16 1 1 A 18 18 SER CA C 18 57.075 56.796 0.279 1
1 150 . 16 1 1 A 18 18 SER CB C 18 64.550 65.903 -1.353 1
1 151 . 16 1 1 A 18 18 SER N N 18 110.441 110.085 0.356 1
1 152 . 16 1 1 A 19 19 LYS H H 19 8.745 9.049 -0.304 1
1 153 . 16 1 1 A 19 19 LYS HA H 19 5.836 5.394 0.442 1
1 162 . 16 1 1 A 19 19 LYS C C 19 174.068 175.055 -0.987 1
1 163 . 16 1 1 A 19 19 LYS CA C 19 54.770 54.591 0.179 1
1 164 . 16 1 1 A 19 19 LYS CB C 19 37.493 36.361 1.132 1
1 168 . 16 1 1 A 19 19 LYS N N 19 120.354 121.238 -0.884 1
1 169 . 16 1 1 A 20 20 ARG H H 20 9.264 9.387 -0.123 1
1 170 . 16 1 1 A 20 20 ARG HA H 20 4.703 5.104 -0.401 1
1 178 . 16 1 1 A 20 20 ARG C C 20 171.618 173.984 -2.366 1
1 179 . 16 1 1 A 20 20 ARG CA C 20 54.471 54.020 0.451 1
1 180 . 16 1 1 A 20 20 ARG CB C 20 32.578 34.166 -1.588 1
1 183 . 16 1 1 A 20 20 ARG N N 20 119.809 120.197 -0.388 1
1 185 . 16 1 1 A 21 21 LEU H H 21 8.286 8.724 -0.438 1
1 186 . 16 1 1 A 21 21 LEU HA H 21 4.927 5.454 -0.527 1
1 196 . 16 1 1 A 21 21 LEU C C 21 176.880 174.457 2.423 1
1 197 . 16 1 1 A 21 21 LEU CA C 21 53.433 53.460 -0.027 1
1 198 . 16 1 1 A 21 21 LEU CB C 21 43.905 46.762 -2.857 1
1 202 . 16 1 1 A 21 21 LEU N N 21 121.552 122.025 -0.473 1
1 203 . 16 1 1 A 22 22 ARG H H 22 9.146 8.676 0.470 1
1 204 . 16 1 1 A 22 22 ARG HA H 22 4.434 4.430 0.004 1
1 211 . 16 1 1 A 22 22 ARG C C 22 175.379 175.379 0.000 1
1 212 . 16 1 1 A 22 22 ARG CA C 22 55.468 55.875 -0.407 1
1 213 . 16 1 1 A 22 22 ARG CB C 22 33.049 32.946 0.103 1
1 216 . 16 1 1 A 22 22 ARG N N 22 126.472 124.576 1.896 1
1 217 . 16 1 1 A 23 23 LYS H H 23 9.505 9.382 0.123 1
1 218 . 16 1 1 A 23 23 LYS HA H 23 3.839 3.893 -0.054 1
1 227 . 16 1 1 A 23 23 LYS C C 23 176.521 175.816 0.705 1
1 228 . 16 1 1 A 23 23 LYS CA C 23 57.127 57.176 -0.049 1
1 229 . 16 1 1 A 23 23 LYS CB C 23 29.988 31.243 -1.255 1
1 233 . 16 1 1 A 24 24 GLY H H 24 8.438 8.630 -0.192 1
1 234 . 16 1 1 A 24 24 GLY HA2 H 24 4.124 3.887 0.237 1
1 235 . 16 1 1 A 24 24 GLY HA3 H 24 3.517 3.890 -0.373 1
1 236 . 16 1 1 A 24 24 GLY C C 24 173.338 173.806 -0.468 1
1 237 . 16 1 1 A 24 24 GLY CA C 24 45.481 46.314 -0.833 1
1 238 . 16 1 1 A 24 24 GLY N N 24 103.048 105.171 -2.123 1
1 239 . 16 1 1 A 25 25 LYS H H 25 7.785 7.887 -0.102 1
1 240 . 16 1 1 A 25 25 LYS HA H 25 4.635 4.844 -0.209 1
1 249 . 16 1 1 A 25 25 LYS C C 25 174.733 174.134 0.599 1
1 250 . 16 1 1 A 25 25 LYS CA C 25 54.365 54.252 0.113 1
1 251 . 16 1 1 A 25 25 LYS CB C 25 34.616 35.626 -1.010 1
1 255 . 16 1 1 A 25 25 LYS N N 25 121.463 119.342 2.121 1
1 256 . 16 1 1 A 26 26 LEU H H 26 8.555 8.841 -0.286 1
1 257 . 16 1 1 A 26 26 LEU HA H 26 4.763 4.942 -0.179 1
1 267 . 16 1 1 A 26 26 LEU C C 26 176.596 174.919 1.677 1
1 268 . 16 1 1 A 26 26 LEU CA C 26 54.999 53.496 1.503 1
1 269 . 16 1 1 A 26 26 LEU CB C 26 43.167 44.436 -1.269 1
1 273 . 16 1 1 A 26 26 LEU N N 26 124.731 125.229 -0.498 1
1 274 . 16 1 1 A 27 27 GLU H H 27 8.944 9.172 -0.228 1
1 275 . 16 1 1 A 27 27 GLU HA H 27 4.923 4.947 -0.024 1
1 280 . 16 1 1 A 27 27 GLU C C 27 174.422 175.098 -0.676 1
1 281 . 16 1 1 A 27 27 GLU CA C 27 53.874 54.792 -0.918 1
1 282 . 16 1 1 A 27 27 GLU CB C 27 35.191 32.555 2.636 1
1 284 . 16 1 1 A 27 27 GLU N N 27 122.189 126.541 -4.352 1
1 285 . 16 1 1 A 28 28 TYR H H 28 9.423 9.472 -0.049 1
1 286 . 16 1 1 A 28 28 TYR HA H 28 5.265 5.011 0.254 1
1 293 . 16 1 1 A 28 28 TYR C C 28 174.020 174.688 -0.668 1
1 294 . 16 1 1 A 28 28 TYR CA C 28 56.511 56.687 -0.176 1
1 295 . 16 1 1 A 28 28 TYR CB C 28 41.646 40.828 0.818 1
1 300 . 16 1 1 A 28 28 TYR N N 28 118.361 122.488 -4.127 1
1 301 . 16 1 1 A 29 29 LEU H H 29 7.779 8.652 -0.873 1
1 302 . 16 1 1 A 29 29 LEU HA H 29 3.634 3.200 0.434 1
1 312 . 16 1 1 A 29 29 LEU C C 29 173.992 174.425 -0.433 1
1 313 . 16 1 1 A 29 29 LEU CA C 29 53.680 53.869 -0.189 1
1 314 . 16 1 1 A 29 29 LEU CB C 29 40.115 40.778 -0.663 1
1 318 . 16 1 1 A 29 29 LEU N N 29 127.541 126.282 1.259 1
1 319 . 16 1 1 A 30 30 VAL H H 30 8.936 8.064 0.872 1
1 320 . 16 1 1 A 30 30 VAL HA H 30 3.915 3.773 0.142 1
1 328 . 16 1 1 A 30 30 VAL C C 30 173.840 174.536 -0.696 1
1 329 . 16 1 1 A 30 30 VAL CA C 30 62.106 62.281 -0.175 1
1 330 . 16 1 1 A 30 30 VAL CB C 30 34.458 31.933 2.525 1
1 333 . 16 1 1 A 30 30 VAL N N 30 130.095 127.067 3.028 1
1 334 . 16 1 1 A 31 31 LYS H H 31 7.596 7.892 -0.296 1
1 335 . 16 1 1 A 31 31 LYS HA H 31 4.525 4.811 -0.286 1
1 344 . 16 1 1 A 31 31 LYS C C 31 175.379 174.363 1.016 1
1 345 . 16 1 1 A 31 31 LYS CA C 31 53.574 54.364 -0.790 1
1 346 . 16 1 1 A 31 31 LYS CB C 31 34.848 34.743 0.105 1
1 350 . 16 1 1 A 31 31 LYS N N 31 123.992 126.625 -2.633 1
1 351 . 16 1 1 A 32 32 TRP H H 32 9.368 8.540 0.828 1
1 352 . 16 1 1 A 32 32 TRP HA H 32 4.816 5.227 -0.411 1
1 361 . 16 1 1 A 32 32 TRP C C 32 176.830 176.678 0.152 1
1 362 . 16 1 1 A 32 32 TRP CA C 32 56.002 56.119 -0.117 1
1 363 . 16 1 1 A 32 32 TRP CB C 32 31.163 31.823 -0.660 1
1 369 . 16 1 1 A 32 32 TRP N N 32 131.754 127.114 4.640 1
1 371 . 16 1 1 A 33 33 ARG H H 33 9.455 9.344 0.111 1
1 372 . 16 1 1 A 33 33 ARG HA H 33 4.345 4.240 0.105 1
1 379 . 16 1 1 A 33 33 ARG C C 33 178.092 178.965 -0.873 1
1 380 . 16 1 1 A 33 33 ARG CA C 33 57.590 58.892 -1.302 1
1 381 . 16 1 1 A 33 33 ARG CB C 33 30.400 30.617 -0.217 1
1 384 . 16 1 1 A 33 33 ARG N N 33 124.374 124.839 -0.465 1
1 385 . 16 1 1 A 34 34 GLY H H 34 9.319 8.422 0.897 1
1 386 . 16 1 1 A 34 34 GLY HA2 H 34 3.642 3.779 -0.137 1
1 387 . 16 1 1 A 34 34 GLY HA3 H 34 3.976 3.785 0.191 1
1 388 . 16 1 1 A 34 34 GLY CA C 34 45.636 47.352 -1.716 1
1 389 . 16 1 1 A 34 34 GLY N N 34 114.254 107.681 6.573 1
1 390 . 16 1 1 A 35 35 TRP H H 35 7.725 8.200 -0.475 1
1 391 . 16 1 1 A 35 35 TRP HA H 35 4.785 5.130 -0.345 1
1 400 . 16 1 1 A 35 35 TRP CA C 35 55.641 55.887 -0.246 1
1 401 . 16 1 1 A 35 35 TRP CB C 35 31.352 32.373 -1.021 1
1 407 . 16 1 1 A 35 35 TRP N N 35 120.008 119.766 0.242 1
1 409 . 16 1 1 A 36 36 SER H H 36 8.785 8.805 -0.020 1
1 410 . 16 1 1 A 36 36 SER HA H 36 4.587 4.525 0.062 1
1 413 . 16 1 1 A 36 36 SER CA C 36 58.364 59.148 -0.784 1
1 414 . 16 1 1 A 36 36 SER CB C 36 64.741 64.029 0.712 1
1 415 . 16 1 1 A 36 36 SER N N 36 117.243 119.364 -2.121 1
1 416 . 16 1 1 A 37 37 SER HA H 37 4.491 4.154 0.337 1
1 419 . 16 1 1 A 37 37 SER CA C 37 60.248 62.266 -2.018 1
1 420 . 16 1 1 A 37 37 SER CB C 37 63.340 62.788 0.552 1
1 421 . 16 1 1 A 38 38 LYS HA H 38 4.155 4.172 -0.017 1
1 430 . 16 1 1 A 38 38 LYS CA C 38 58.001 58.630 -0.629 1
1 431 . 16 1 1 A 38 38 LYS CB C 38 32.378 31.749 0.629 1
1 435 . 16 1 1 A 39 39 HIS H H 39 8.245 8.416 -0.171 1
1 436 . 16 1 1 A 39 39 HIS HA H 39 4.460 4.854 -0.394 1
1 441 . 16 1 1 A 39 39 HIS CA C 39 56.031 54.524 1.507 1
1 442 . 16 1 1 A 39 39 HIS CB C 39 30.068 28.261 1.807 1
1 445 . 16 1 1 A 39 39 HIS N N 39 117.908 116.818 1.090 1
1 446 . 16 1 1 A 40 40 ASN H H 40 7.746 7.735 0.011 1
1 447 . 16 1 1 A 40 40 ASN HA H 40 5.176 5.204 -0.028 1
1 452 . 16 1 1 A 40 40 ASN C C 40 176.114 174.736 1.378 1
1 453 . 16 1 1 A 40 40 ASN CA C 40 54.102 52.228 1.874 1
1 454 . 16 1 1 A 40 40 ASN CB C 40 37.123 39.927 -2.804 1
1 455 . 16 1 1 A 40 40 ASN N N 40 121.018 118.740 2.278 1
1 457 . 16 1 1 A 41 41 SER H H 41 8.492 8.337 0.155 1
1 458 . 16 1 1 A 41 41 SER HA H 41 4.866 5.372 -0.506 1
1 461 . 16 1 1 A 41 41 SER C C 41 172.479 173.051 -0.572 1
1 462 . 16 1 1 A 41 41 SER CA C 41 57.145 56.802 0.343 1
1 463 . 16 1 1 A 41 41 SER CB C 41 66.057 65.881 0.176 1
1 464 . 16 1 1 A 41 41 SER N N 41 115.675 114.194 1.481 1
1 465 . 16 1 1 A 42 42 TRP H H 42 8.604 9.026 -0.422 1
1 466 . 16 1 1 A 42 42 TRP HA H 42 4.980 5.205 -0.225 1
1 475 . 16 1 1 A 42 42 TRP C C 42 177.025 175.823 1.202 1
1 476 . 16 1 1 A 42 42 TRP CA C 42 56.477 56.107 0.370 1
1 477 . 16 1 1 A 42 42 TRP CB C 42 29.625 29.979 -0.354 1
1 483 . 16 1 1 A 42 42 TRP N N 42 123.109 125.518 -2.409 1
1 485 . 16 1 1 A 43 43 GLU H H 43 9.916 8.746 1.170 1
1 486 . 16 1 1 A 43 43 GLU HA H 43 5.225 4.898 0.327 1
1 491 . 16 1 1 A 43 43 GLU C C 43 174.192 174.145 0.047 1
1 492 . 16 1 1 A 43 43 GLU CA C 43 52.230 53.172 -0.942 1
1 493 . 16 1 1 A 43 43 GLU CB C 43 32.537 30.709 1.828 1
1 495 . 16 1 1 A 43 43 GLU N N 43 125.182 124.863 0.319 1
1 496 . 16 1 1 A 44 44 PRO HA H 44 4.934 4.825 0.109 1
1 503 . 16 1 1 A 44 44 PRO C C 44 177.782 177.657 0.125 1
1 504 . 16 1 1 A 44 44 PRO CA C 44 62.525 62.585 -0.060 1
1 505 . 16 1 1 A 44 44 PRO CB C 44 32.730 32.584 0.146 1
1 508 . 16 1 1 A 45 45 GLU H H 45 8.637 8.918 -0.281 1
1 509 . 16 1 1 A 45 45 GLU HA H 45 3.965 4.149 -0.184 1
1 514 . 16 1 1 A 45 45 GLU C C 45 177.990 178.579 -0.589 1
1 515 . 16 1 1 A 45 45 GLU CA C 45 60.293 59.708 0.585 1
1 516 . 16 1 1 A 45 45 GLU CB C 45 30.235 29.721 0.514 1
1 518 . 16 1 1 A 45 45 GLU N N 45 120.441 123.254 -2.813 1
1 519 . 16 1 1 A 46 46 GLU H H 46 9.698 8.748 0.950 1
1 520 . 16 1 1 A 46 46 GLU HA H 46 4.243 4.128 0.115 1
1 525 . 16 1 1 A 46 46 GLU C C 46 176.547 177.943 -1.396 1
1 526 . 16 1 1 A 46 46 GLU CA C 46 58.693 58.632 0.061 1
1 527 . 16 1 1 A 46 46 GLU CB C 46 28.448 28.034 0.414 1
1 529 . 16 1 1 A 46 46 GLU N N 46 117.193 117.016 0.177 1
1 530 . 16 1 1 A 47 47 ASN H H 47 8.119 8.164 -0.045 1
1 531 . 16 1 1 A 47 47 ASN HA H 47 4.922 4.730 0.192 1
1 536 . 16 1 1 A 47 47 ASN C C 47 175.293 175.828 -0.535 1
1 537 . 16 1 1 A 47 47 ASN CA C 47 52.430 54.640 -2.210 1
1 538 . 16 1 1 A 47 47 ASN CB C 47 38.439 39.357 -0.918 1
1 539 . 16 1 1 A 47 47 ASN N N 47 118.023 116.590 1.433 1
1 541 . 16 1 1 A 48 48 ILE H H 48 7.695 7.506 0.189 1
1 542 . 16 1 1 A 48 48 ILE HA H 48 4.075 4.267 -0.192 1
1 552 . 16 1 1 A 48 48 ILE C C 48 175.029 175.491 -0.462 1
1 553 . 16 1 1 A 48 48 ILE CA C 48 59.749 61.617 -1.868 1
1 554 . 16 1 1 A 48 48 ILE CB C 48 35.109 36.912 -1.803 1
1 558 . 16 1 1 A 48 48 ILE N N 48 121.906 120.210 1.696 1
1 559 . 16 1 1 A 49 49 LEU H H 49 8.137 8.382 -0.245 1
1 560 . 16 1 1 A 49 49 LEU HA H 49 4.286 4.307 -0.021 1
1 570 . 16 1 1 A 49 49 LEU C C 49 176.808 177.204 -0.396 1
1 571 . 16 1 1 A 49 49 LEU CA C 49 55.748 56.984 -1.236 1
1 572 . 16 1 1 A 49 49 LEU CB C 49 42.088 42.858 -0.770 1
1 576 . 16 1 1 A 49 49 LEU N N 49 125.062 129.408 -4.346 1
1 577 . 16 1 1 A 50 50 ASP H H 50 7.284 7.836 -0.552 1
1 578 . 16 1 1 A 50 50 ASP HA H 50 5.077 4.814 0.263 1
1 581 . 16 1 1 A 50 50 ASP C C 50 174.968 175.916 -0.948 1
1 582 . 16 1 1 A 50 50 ASP CA C 50 50.443 51.992 -1.549 1
1 583 . 16 1 1 A 50 50 ASP CB C 50 41.822 40.462 1.360 1
1 584 . 16 1 1 A 50 50 ASP N N 50 118.019 118.143 -0.124 1
1 585 . 16 1 1 A 51 51 PRO HA H 51 4.258 4.269 -0.011 1
1 592 . 16 1 1 A 51 51 PRO C C 51 179.037 178.909 0.128 1
1 593 . 16 1 1 A 51 51 PRO CA C 51 64.372 64.935 -0.563 1
1 594 . 16 1 1 A 51 51 PRO CB C 51 32.382 32.048 0.334 1
1 597 . 16 1 1 A 52 52 ARG H H 52 8.253 8.424 -0.171 1
1 598 . 16 1 1 A 52 52 ARG HA H 52 3.995 4.047 -0.052 1
1 605 . 16 1 1 A 52 52 ARG C C 52 179.774 178.661 1.113 1
1 606 . 16 1 1 A 52 52 ARG CA C 52 59.255 59.323 -0.068 1
1 607 . 16 1 1 A 52 52 ARG CB C 52 29.608 29.956 -0.348 1
1 610 . 16 1 1 A 52 52 ARG N N 52 117.657 118.680 -1.023 1
1 611 . 16 1 1 A 53 53 LEU H H 53 7.576 7.908 -0.332 1
1 612 . 16 1 1 A 53 53 LEU HA H 53 4.043 3.890 0.153 1
1 622 . 16 1 1 A 53 53 LEU C C 53 180.197 179.221 0.976 1
1 623 . 16 1 1 A 53 53 LEU CA C 53 57.620 57.688 -0.068 1
1 624 . 16 1 1 A 53 53 LEU CB C 53 42.080 41.905 0.175 1
1 628 . 16 1 1 A 53 53 LEU N N 53 118.887 119.951 -1.064 1
1 629 . 16 1 1 A 54 54 LEU H H 54 7.185 8.116 -0.931 1
1 630 . 16 1 1 A 54 54 LEU HA H 54 3.966 3.704 0.262 1
1 640 . 16 1 1 A 54 54 LEU C C 54 178.631 178.941 -0.310 1
1 641 . 16 1 1 A 54 54 LEU CA C 54 57.549 57.940 -0.391 1
1 642 . 16 1 1 A 54 54 LEU CB C 54 41.646 41.900 -0.254 1
1 646 . 16 1 1 A 54 54 LEU N N 54 119.814 117.244 2.570 1
1 647 . 16 1 1 A 55 55 LEU H H 55 7.791 8.438 -0.647 1
1 648 . 16 1 1 A 55 55 LEU HA H 55 4.132 4.018 0.114 1
1 658 . 16 1 1 A 55 55 LEU C C 55 179.501 178.739 0.762 1
1 659 . 16 1 1 A 55 55 LEU CA C 55 58.007 58.208 -0.201 1
1 660 . 16 1 1 A 55 55 LEU CB C 55 41.523 41.475 0.048 1
1 664 . 16 1 1 A 55 55 LEU N N 55 120.290 118.238 2.052 1
1 665 . 16 1 1 A 56 56 ALA H H 56 7.771 8.503 -0.732 1
1 666 . 16 1 1 A 56 56 ALA HA H 56 4.145 4.073 0.072 1
1 670 . 16 1 1 A 56 56 ALA C C 56 180.157 180.010 0.147 1
1 671 . 16 1 1 A 56 56 ALA CA C 56 54.963 55.085 -0.122 1
1 672 . 16 1 1 A 56 56 ALA CB C 56 18.232 18.509 -0.277 1
1 673 . 16 1 1 A 56 56 ALA N N 56 119.874 120.276 -0.402 1
1 674 . 16 1 1 A 57 57 PHE H H 57 7.526 7.596 -0.070 1
1 675 . 16 1 1 A 57 57 PHE HA H 57 4.451 4.129 0.322 1
1 683 . 16 1 1 A 57 57 PHE C C 57 176.838 177.436 -0.598 1
1 684 . 16 1 1 A 57 57 PHE CA C 57 60.822 61.503 -0.681 1
1 685 . 16 1 1 A 57 57 PHE CB C 57 39.878 39.330 0.548 1
1 691 . 16 1 1 A 57 57 PHE N N 57 119.210 119.087 0.123 1
1 692 . 16 1 1 A 58 58 GLN H H 58 8.415 8.582 -0.167 1
1 693 . 16 1 1 A 58 58 GLN HA H 58 3.874 3.936 -0.062 1
1 700 . 16 1 1 A 58 58 GLN C C 58 178.639 178.702 -0.063 1
1 701 . 16 1 1 A 58 58 GLN CA C 58 58.499 59.194 -0.695 1
1 702 . 16 1 1 A 58 58 GLN CB C 58 28.325 28.301 0.024 1
1 704 . 16 1 1 A 58 58 GLN N N 58 118.702 117.367 1.335 1
1 706 . 16 1 1 A 59 59 LYS H H 59 7.918 7.808 0.110 1
1 707 . 16 1 1 A 59 59 LYS HA H 59 4.121 4.045 0.076 1
1 716 . 16 1 1 A 59 59 LYS C C 59 178.269 179.567 -1.298 1
1 717 . 16 1 1 A 59 59 LYS CA C 59 58.921 59.557 -0.636 1
1 718 . 16 1 1 A 59 59 LYS CB C 59 32.437 32.239 0.198 1
1 722 . 16 1 1 A 59 59 LYS N N 59 119.131 119.566 -0.435 1
1 723 . 16 1 1 A 60 60 LYS H H 60 7.595 7.678 -0.083 1
1 724 . 16 1 1 A 60 60 LYS HA H 60 4.133 3.942 0.191 1
1 733 . 16 1 1 A 60 60 LYS C C 60 178.836 179.505 -0.669 1
1 734 . 16 1 1 A 60 60 LYS CA C 60 58.323 59.906 -1.583 1
1 735 . 16 1 1 A 60 60 LYS CB C 60 32.150 32.046 0.104 1
1 739 . 16 1 1 A 60 60 LYS N N 60 120.016 119.533 0.483 1
1 740 . 16 1 1 A 61 61 GLU H H 61 8.095 8.197 -0.102 1
1 741 . 16 1 1 A 61 61 GLU HA H 61 3.936 3.739 0.197 1
1 746 . 16 1 1 A 61 61 GLU C C 61 178.233 178.878 -0.645 1
1 747 . 16 1 1 A 61 61 GLU CA C 61 58.605 59.346 -0.741 1
1 748 . 16 1 1 A 61 61 GLU CB C 61 29.806 29.301 0.505 1
1 750 . 16 1 1 A 61 61 GLU N N 61 119.560 119.385 0.175 1
1 751 . 16 1 1 A 62 62 HIS H H 62 8.037 8.001 0.036 1
1 752 . 16 1 1 A 62 62 HIS HA H 62 4.517 4.140 0.377 1
1 757 . 16 1 1 A 62 62 HIS C C 62 176.449 176.712 -0.263 1
1 758 . 16 1 1 A 62 62 HIS CA C 62 57.740 59.880 -2.140 1
1 759 . 16 1 1 A 62 62 HIS CB C 62 29.928 29.729 0.199 1
1 762 . 16 1 1 A 62 62 HIS N N 62 118.437 119.575 -1.138 1
1 763 . 16 1 1 A 63 63 GLU H H 63 8.010 8.285 -0.275 1
1 764 . 16 1 1 A 63 63 GLU HA H 63 4.096 4.043 0.053 1
1 769 . 16 1 1 A 63 63 GLU C C 63 177.485 178.971 -1.486 1
1 770 . 16 1 1 A 63 63 GLU CA C 63 57.954 59.804 -1.850 1
1 771 . 16 1 1 A 63 63 GLU CB C 63 29.783 29.655 0.128 1
1 773 . 16 1 1 A 63 63 GLU N N 63 119.622 118.047 1.575 1
1 774 . 16 1 1 A 64 64 LYS H H 64 7.874 7.474 0.400 1
1 775 . 16 1 1 A 64 64 LYS HA H 64 4.213 4.209 0.004 1
1 784 . 16 1 1 A 64 64 LYS C C 64 177.341 177.162 0.179 1
1 785 . 16 1 1 A 64 64 LYS CA C 64 57.479 59.325 -1.846 1
1 786 . 16 1 1 A 64 64 LYS CB C 64 32.684 32.292 0.392 1
1 790 . 16 1 1 A 64 64 LYS N N 64 119.617 117.988 1.629 1
1 791 . 16 1 1 A 65 65 GLU H H 65 8.044 7.765 0.279 1
1 792 . 16 1 1 A 65 65 GLU HA H 65 4.236 4.143 0.093 1
1 797 . 16 1 1 A 65 65 GLU C C 65 177.451 175.599 1.852 1
1 798 . 16 1 1 A 65 65 GLU CA C 65 57.426 57.063 0.363 1
1 799 . 16 1 1 A 65 65 GLU CB C 65 29.971 31.002 -1.031 1
1 801 . 16 1 1 A 65 65 GLU N N 65 120.606 118.474 2.132 1
1 802 . 16 1 1 A 66 66 VAL H H 66 8.028 8.799 -0.771 1
1 803 . 16 1 1 A 66 66 VAL HA H 66 4.035 4.139 -0.104 1
1 811 . 16 1 1 A 66 66 VAL C C 66 176.848 175.632 1.216 1
1 812 . 16 1 1 A 66 66 VAL CA C 66 63.160 63.360 -0.200 1
1 813 . 16 1 1 A 66 66 VAL CB C 66 32.396 34.762 -2.366 1
1 816 . 16 1 1 A 66 66 VAL N N 66 119.834 124.277 -4.443 1
1 817 . 16 1 1 A 67 67 GLN H H 67 8.265 7.766 0.499 1
1 818 . 16 1 1 A 67 67 GLN HA H 67 4.313 4.439 -0.126 1
1 825 . 16 1 1 A 67 67 GLN C C 67 176.073 176.199 -0.126 1
1 826 . 16 1 1 A 67 67 GLN CA C 67 56.283 54.723 1.560 1
1 827 . 16 1 1 A 67 67 GLN CB C 67 29.216 30.195 -0.979 1
1 829 . 16 1 1 A 67 67 GLN N N 67 122.698 121.332 1.366 1
1 831 . 16 1 1 A 68 68 ASN H H 68 8.391 9.084 -0.693 1
1 832 . 16 1 1 A 68 68 ASN HA H 68 4.782 4.411 0.371 1
1 837 . 16 1 1 A 68 68 ASN C C 68 175.242 175.155 0.087 1
1 838 . 16 1 1 A 68 68 ASN CA C 68 53.487 53.910 -0.423 1
1 839 . 16 1 1 A 68 68 ASN CB C 68 39.138 37.148 1.990 1
1 840 . 16 1 1 A 68 68 ASN N N 68 119.609 121.279 -1.670 1
1 842 . 16 1 1 A 69 69 SER H H 69 8.272 8.497 -0.225 1
1 843 . 16 1 1 A 69 69 SER HA H 69 4.501 4.444 0.057 1
1 846 . 16 1 1 A 69 69 SER C C 69 174.630 175.333 -0.703 1
1 847 . 16 1 1 A 69 69 SER CA C 69 58.587 59.672 -1.085 1
1 848 . 16 1 1 A 69 69 SER CB C 69 64.174 64.243 -0.069 1
1 849 . 16 1 1 A 69 69 SER N N 69 116.106 112.272 3.834 1
1 850 . 16 1 1 A 70 70 GLY H H 70 8.251 8.133 0.118 1
1 851 . 16 1 1 A 70 70 GLY HA2 H 70 4.175 3.956 0.219 1
1 852 . 16 1 1 A 70 70 GLY HA3 H 70 4.144 3.963 0.181 1
1 853 . 16 1 1 A 70 70 GLY C C 70 171.843 174.838 -2.995 1
1 854 . 16 1 1 A 70 70 GLY CA C 70 44.709 46.706 -1.997 1
1 855 . 16 1 1 A 70 70 GLY N N 70 110.658 108.270 2.388 1
1 856 . 16 1 1 A 71 71 PRO HA H 71 4.501 4.529 -0.028 1
1 863 . 16 1 1 A 71 71 PRO C C 71 177.457 177.329 0.128 1
1 864 . 16 1 1 A 71 71 PRO CA C 71 63.300 63.111 0.189 1
1 865 . 16 1 1 A 71 71 PRO CB C 71 32.008 32.215 -0.207 1
1 868 . 16 1 1 A 72 72 SER H H 72 8.536 8.952 -0.416 1
1 869 . 16 1 1 A 72 72 SER CA C 72 58.429 58.969 -0.540 1
1 1 . 17 1 1 A 6 6 SER HA H 6 4.501 4.525 -0.024 1
1 4 . 17 1 1 A 6 6 SER C C 6 175.089 174.589 0.500 1
1 5 . 17 1 1 A 6 6 SER CA C 6 58.675 59.247 -0.572 1
1 6 . 17 1 1 A 6 6 SER CB C 6 63.909 65.578 -1.669 1
1 7 . 17 1 1 A 7 7 GLY H H 7 8.374 7.723 0.651 1
1 8 . 17 1 1 A 7 7 GLY HA2 H 7 3.966 4.003 -0.037 1
1 9 . 17 1 1 A 7 7 GLY HA3 H 7 3.966 4.006 -0.040 1
1 10 . 17 1 1 A 7 7 GLY C C 7 174.147 174.420 -0.273 1
1 11 . 17 1 1 A 7 7 GLY CA C 7 45.359 45.458 -0.099 1
1 12 . 17 1 1 A 7 7 GLY N N 7 110.638 108.284 2.354 1
1 13 . 17 1 1 A 8 8 GLU H H 8 8.255 7.920 0.335 1
1 14 . 17 1 1 A 8 8 GLU HA H 8 4.273 4.688 -0.415 1
1 19 . 17 1 1 A 8 8 GLU C C 8 176.471 176.221 0.250 1
1 20 . 17 1 1 A 8 8 GLU CA C 8 56.582 55.506 1.076 1
1 21 . 17 1 1 A 8 8 GLU CB C 8 30.299 31.113 -0.814 1
1 23 . 17 1 1 A 8 8 GLU N N 8 120.542 118.747 1.795 1
1 24 . 17 1 1 A 9 9 GLN H H 9 8.397 8.433 -0.036 1
1 25 . 17 1 1 A 9 9 GLN HA H 9 4.332 4.184 0.148 1
1 32 . 17 1 1 A 9 9 GLN C C 9 175.365 176.366 -1.001 1
1 33 . 17 1 1 A 9 9 GLN CA C 9 55.668 57.008 -1.340 1
1 34 . 17 1 1 A 9 9 GLN CB C 9 29.560 29.178 0.382 1
1 36 . 17 1 1 A 9 9 GLN N N 9 121.410 123.054 -1.644 1
1 38 . 17 1 1 A 10 10 VAL H H 10 8.104 8.605 -0.501 1
1 39 . 17 1 1 A 10 10 VAL HA H 10 4.054 4.769 -0.715 1
1 47 . 17 1 1 A 10 10 VAL C C 10 175.736 175.327 0.409 1
1 48 . 17 1 1 A 10 10 VAL CA C 10 62.334 60.427 1.907 1
1 49 . 17 1 1 A 10 10 VAL CB C 10 33.136 33.516 -0.380 1
1 52 . 17 1 1 A 10 10 VAL N N 10 121.590 119.948 1.642 1
1 53 . 17 1 1 A 11 11 PHE H H 11 8.491 9.061 -0.570 1
1 54 . 17 1 1 A 11 11 PHE HA H 11 4.696 4.917 -0.221 1
1 62 . 17 1 1 A 11 11 PHE C C 11 174.477 174.415 0.062 1
1 63 . 17 1 1 A 11 11 PHE CA C 11 57.444 56.152 1.292 1
1 64 . 17 1 1 A 11 11 PHE CB C 11 39.467 40.163 -0.696 1
1 70 . 17 1 1 A 11 11 PHE N N 11 125.302 120.693 4.609 1
1 71 . 17 1 1 A 12 12 ALA H H 12 9.203 9.061 0.142 1
1 72 . 17 1 1 A 12 12 ALA HA H 12 4.866 5.068 -0.202 1
1 76 . 17 1 1 A 12 12 ALA C C 12 176.813 176.396 0.417 1
1 77 . 17 1 1 A 12 12 ALA CA C 12 51.252 50.829 0.423 1
1 78 . 17 1 1 A 12 12 ALA CB C 12 20.719 20.297 0.422 1
1 79 . 17 1 1 A 12 12 ALA N N 12 127.219 127.754 -0.535 1
1 80 . 17 1 1 A 13 13 ALA H H 13 8.891 9.074 -0.183 1
1 81 . 17 1 1 A 13 13 ALA HA H 13 3.874 3.943 -0.069 1
1 85 . 17 1 1 A 13 13 ALA C C 13 176.194 177.104 -0.910 1
1 86 . 17 1 1 A 13 13 ALA CA C 13 53.380 51.595 1.785 1
1 87 . 17 1 1 A 13 13 ALA CB C 13 19.448 18.144 1.304 1
1 88 . 17 1 1 A 13 13 ALA N N 13 126.618 127.783 -1.165 1
1 89 . 17 1 1 A 14 14 GLU H H 14 9.604 8.366 1.238 1
1 90 . 17 1 1 A 14 14 GLU HA H 14 4.336 4.014 0.322 1
1 95 . 17 1 1 A 14 14 GLU C C 14 176.093 175.918 0.175 1
1 96 . 17 1 1 A 14 14 GLU CA C 14 57.356 59.536 -2.180 1
1 97 . 17 1 1 A 14 14 GLU CB C 14 32.273 30.378 1.895 1
1 99 . 17 1 1 A 14 14 GLU N N 14 123.285 124.223 -0.938 1
1 100 . 17 1 1 A 15 15 CYS H H 15 7.655 7.431 0.224 1
1 101 . 17 1 1 A 15 15 CYS HA H 15 4.527 4.567 -0.040 1
1 104 . 17 1 1 A 15 15 CYS C C 15 171.003 172.853 -1.850 1
1 105 . 17 1 1 A 15 15 CYS CA C 15 56.674 58.182 -1.508 1
1 106 . 17 1 1 A 15 15 CYS CB C 15 29.765 30.781 -1.016 1
1 107 . 17 1 1 A 15 15 CYS N N 15 110.806 116.316 -5.510 1
1 108 . 17 1 1 A 16 16 ILE H H 16 8.316 8.651 -0.335 1
1 109 . 17 1 1 A 16 16 ILE HA H 16 4.344 4.017 0.327 1
1 119 . 17 1 1 A 16 16 ILE C C 16 175.432 175.651 -0.219 1
1 120 . 17 1 1 A 16 16 ILE CA C 16 60.047 61.894 -1.847 1
1 121 . 17 1 1 A 16 16 ILE CB C 16 39.308 37.728 1.580 1
1 125 . 17 1 1 A 16 16 ILE N N 16 121.665 125.107 -3.442 1
1 126 . 17 1 1 A 17 17 LEU H H 17 9.207 9.019 0.188 1
1 127 . 17 1 1 A 17 17 LEU HA H 17 4.425 4.432 -0.007 1
1 137 . 17 1 1 A 17 17 LEU C C 17 177.573 176.382 1.191 1
1 138 . 17 1 1 A 17 17 LEU CA C 17 55.825 55.728 0.097 1
1 139 . 17 1 1 A 17 17 LEU CB C 17 44.400 42.892 1.508 1
1 143 . 17 1 1 A 17 17 LEU N N 17 124.728 129.106 -4.378 1
1 144 . 17 1 1 A 18 18 SER H H 18 7.082 7.316 -0.234 1
1 145 . 17 1 1 A 18 18 SER HA H 18 4.778 4.802 -0.024 1
1 148 . 17 1 1 A 18 18 SER C C 18 171.685 172.398 -0.713 1
1 149 . 17 1 1 A 18 18 SER CA C 18 57.075 56.689 0.386 1
1 150 . 17 1 1 A 18 18 SER CB C 18 64.550 65.116 -0.566 1
1 151 . 17 1 1 A 18 18 SER N N 18 110.441 109.725 0.716 1
1 152 . 17 1 1 A 19 19 LYS H H 19 8.745 9.159 -0.414 1
1 153 . 17 1 1 A 19 19 LYS HA H 19 5.836 5.575 0.261 1
1 162 . 17 1 1 A 19 19 LYS C C 19 174.068 174.630 -0.562 1
1 163 . 17 1 1 A 19 19 LYS CA C 19 54.770 54.782 -0.012 1
1 164 . 17 1 1 A 19 19 LYS CB C 19 37.493 36.639 0.854 1
1 168 . 17 1 1 A 19 19 LYS N N 19 120.354 119.449 0.905 1
1 169 . 17 1 1 A 20 20 ARG H H 20 9.264 9.273 -0.009 1
1 170 . 17 1 1 A 20 20 ARG HA H 20 4.703 5.034 -0.331 1
1 178 . 17 1 1 A 20 20 ARG C C 20 171.618 173.787 -2.169 1
1 179 . 17 1 1 A 20 20 ARG CA C 20 54.471 54.086 0.385 1
1 180 . 17 1 1 A 20 20 ARG CB C 20 32.578 34.370 -1.792 1
1 183 . 17 1 1 A 20 20 ARG N N 20 119.809 119.499 0.310 1
1 185 . 17 1 1 A 21 21 LEU H H 21 8.286 8.766 -0.480 1
1 186 . 17 1 1 A 21 21 LEU HA H 21 4.927 5.191 -0.264 1
1 196 . 17 1 1 A 21 21 LEU C C 21 176.880 174.580 2.300 1
1 197 . 17 1 1 A 21 21 LEU CA C 21 53.433 53.741 -0.308 1
1 198 . 17 1 1 A 21 21 LEU CB C 21 43.905 45.258 -1.353 1
1 202 . 17 1 1 A 21 21 LEU N N 21 121.552 121.965 -0.413 1
1 203 . 17 1 1 A 22 22 ARG H H 22 9.146 8.859 0.287 1
1 204 . 17 1 1 A 22 22 ARG HA H 22 4.434 4.695 -0.261 1
1 211 . 17 1 1 A 22 22 ARG C C 22 175.379 175.713 -0.334 1
1 212 . 17 1 1 A 22 22 ARG CA C 22 55.468 54.138 1.330 1
1 213 . 17 1 1 A 22 22 ARG CB C 22 33.049 33.540 -0.491 1
1 216 . 17 1 1 A 22 22 ARG N N 22 126.472 125.068 1.404 1
1 217 . 17 1 1 A 23 23 LYS H H 23 9.505 9.429 0.076 1
1 218 . 17 1 1 A 23 23 LYS HA H 23 3.839 3.957 -0.118 1
1 227 . 17 1 1 A 23 23 LYS C C 23 176.521 176.782 -0.261 1
1 228 . 17 1 1 A 23 23 LYS CA C 23 57.127 57.174 -0.047 1
1 229 . 17 1 1 A 23 23 LYS CB C 23 29.988 30.532 -0.544 1
1 233 . 17 1 1 A 24 24 GLY H H 24 8.438 8.630 -0.192 1
1 234 . 17 1 1 A 24 24 GLY HA2 H 24 4.124 3.890 0.234 1
1 235 . 17 1 1 A 24 24 GLY HA3 H 24 3.517 3.894 -0.377 1
1 236 . 17 1 1 A 24 24 GLY C C 24 173.338 173.745 -0.407 1
1 237 . 17 1 1 A 24 24 GLY CA C 24 45.481 46.128 -0.647 1
1 238 . 17 1 1 A 24 24 GLY N N 24 103.048 103.929 -0.881 1
1 239 . 17 1 1 A 25 25 LYS H H 25 7.785 7.998 -0.213 1
1 240 . 17 1 1 A 25 25 LYS HA H 25 4.635 4.716 -0.081 1
1 249 . 17 1 1 A 25 25 LYS C C 25 174.733 174.920 -0.187 1
1 250 . 17 1 1 A 25 25 LYS CA C 25 54.365 54.472 -0.107 1
1 251 . 17 1 1 A 25 25 LYS CB C 25 34.616 34.919 -0.303 1
1 255 . 17 1 1 A 25 25 LYS N N 25 121.463 119.639 1.824 1
1 256 . 17 1 1 A 26 26 LEU H H 26 8.555 8.622 -0.067 1
1 257 . 17 1 1 A 26 26 LEU HA H 26 4.763 4.757 0.006 1
1 267 . 17 1 1 A 26 26 LEU C C 26 176.596 174.591 2.005 1
1 268 . 17 1 1 A 26 26 LEU CA C 26 54.999 54.361 0.638 1
1 269 . 17 1 1 A 26 26 LEU CB C 26 43.167 42.856 0.311 1
1 273 . 17 1 1 A 26 26 LEU N N 26 124.731 127.083 -2.352 1
1 274 . 17 1 1 A 27 27 GLU H H 27 8.944 9.219 -0.275 1
1 275 . 17 1 1 A 27 27 GLU HA H 27 4.923 4.936 -0.013 1
1 280 . 17 1 1 A 27 27 GLU C C 27 174.422 175.123 -0.701 1
1 281 . 17 1 1 A 27 27 GLU CA C 27 53.874 54.800 -0.926 1
1 282 . 17 1 1 A 27 27 GLU CB C 27 35.191 32.543 2.648 1
1 284 . 17 1 1 A 27 27 GLU N N 27 122.189 126.304 -4.115 1
1 285 . 17 1 1 A 28 28 TYR H H 28 9.423 9.508 -0.085 1
1 286 . 17 1 1 A 28 28 TYR HA H 28 5.265 4.915 0.350 1
1 293 . 17 1 1 A 28 28 TYR C C 28 174.020 174.947 -0.927 1
1 294 . 17 1 1 A 28 28 TYR CA C 28 56.511 56.617 -0.106 1
1 295 . 17 1 1 A 28 28 TYR CB C 28 41.646 40.714 0.932 1
1 300 . 17 1 1 A 28 28 TYR N N 28 118.361 123.132 -4.771 1
1 301 . 17 1 1 A 29 29 LEU H H 29 7.779 8.455 -0.676 1
1 302 . 17 1 1 A 29 29 LEU HA H 29 3.634 3.511 0.123 1
1 312 . 17 1 1 A 29 29 LEU C C 29 173.992 174.250 -0.258 1
1 313 . 17 1 1 A 29 29 LEU CA C 29 53.680 53.783 -0.103 1
1 314 . 17 1 1 A 29 29 LEU CB C 29 40.115 41.462 -1.347 1
1 318 . 17 1 1 A 29 29 LEU N N 29 127.541 125.539 2.002 1
1 319 . 17 1 1 A 30 30 VAL H H 30 8.936 8.202 0.734 1
1 320 . 17 1 1 A 30 30 VAL HA H 30 3.915 3.868 0.047 1
1 328 . 17 1 1 A 30 30 VAL C C 30 173.840 174.982 -1.142 1
1 329 . 17 1 1 A 30 30 VAL CA C 30 62.106 61.841 0.265 1
1 330 . 17 1 1 A 30 30 VAL CB C 30 34.458 32.028 2.430 1
1 333 . 17 1 1 A 30 30 VAL N N 30 130.095 127.508 2.587 1
1 334 . 17 1 1 A 31 31 LYS H H 31 7.596 7.969 -0.373 1
1 335 . 17 1 1 A 31 31 LYS HA H 31 4.525 4.494 0.031 1
1 344 . 17 1 1 A 31 31 LYS C C 31 175.379 174.283 1.096 1
1 345 . 17 1 1 A 31 31 LYS CA C 31 53.574 54.494 -0.920 1
1 346 . 17 1 1 A 31 31 LYS CB C 31 34.848 34.026 0.822 1
1 350 . 17 1 1 A 31 31 LYS N N 31 123.992 127.134 -3.142 1
1 351 . 17 1 1 A 32 32 TRP H H 32 9.368 8.569 0.799 1
1 352 . 17 1 1 A 32 32 TRP HA H 32 4.816 5.195 -0.379 1
1 361 . 17 1 1 A 32 32 TRP C C 32 176.830 176.829 0.001 1
1 362 . 17 1 1 A 32 32 TRP CA C 32 56.002 55.843 0.159 1
1 363 . 17 1 1 A 32 32 TRP CB C 32 31.163 31.896 -0.733 1
1 369 . 17 1 1 A 32 32 TRP N N 32 131.754 123.952 7.802 1
1 371 . 17 1 1 A 33 33 ARG H H 33 9.455 9.050 0.405 1
1 372 . 17 1 1 A 33 33 ARG HA H 33 4.345 3.991 0.354 1
1 379 . 17 1 1 A 33 33 ARG C C 33 178.092 178.774 -0.682 1
1 380 . 17 1 1 A 33 33 ARG CA C 33 57.590 59.245 -1.655 1
1 381 . 17 1 1 A 33 33 ARG CB C 33 30.400 30.118 0.282 1
1 384 . 17 1 1 A 33 33 ARG N N 33 124.374 125.934 -1.560 1
1 385 . 17 1 1 A 34 34 GLY H H 34 9.319 8.392 0.927 1
1 386 . 17 1 1 A 34 34 GLY HA2 H 34 3.642 3.625 0.017 1
1 387 . 17 1 1 A 34 34 GLY HA3 H 34 3.976 3.713 0.263 1
1 388 . 17 1 1 A 34 34 GLY CA C 34 45.636 47.211 -1.575 1
1 389 . 17 1 1 A 34 34 GLY N N 34 114.254 107.322 6.932 1
1 390 . 17 1 1 A 35 35 TRP H H 35 7.725 8.042 -0.317 1
1 391 . 17 1 1 A 35 35 TRP HA H 35 4.785 5.055 -0.270 1
1 400 . 17 1 1 A 35 35 TRP CA C 35 55.641 56.571 -0.930 1
1 401 . 17 1 1 A 35 35 TRP CB C 35 31.352 32.159 -0.807 1
1 407 . 17 1 1 A 35 35 TRP N N 35 120.008 120.077 -0.069 1
1 409 . 17 1 1 A 36 36 SER H H 36 8.785 8.988 -0.203 1
1 410 . 17 1 1 A 36 36 SER HA H 36 4.587 4.747 -0.160 1
1 413 . 17 1 1 A 36 36 SER CA C 36 58.364 56.416 1.948 1
1 414 . 17 1 1 A 36 36 SER CB C 36 64.741 62.569 2.172 1
1 415 . 17 1 1 A 36 36 SER N N 36 117.243 118.547 -1.304 1
1 416 . 17 1 1 A 37 37 SER HA H 37 4.491 4.380 0.111 1
1 419 . 17 1 1 A 37 37 SER CA C 37 60.248 59.110 1.138 1
1 420 . 17 1 1 A 37 37 SER CB C 37 63.340 60.993 2.347 1
1 421 . 17 1 1 A 38 38 LYS HA H 38 4.155 4.695 -0.540 1
1 430 . 17 1 1 A 38 38 LYS CA C 38 58.001 57.693 0.308 1
1 431 . 17 1 1 A 38 38 LYS CB C 38 32.378 35.518 -3.140 1
1 435 . 17 1 1 A 39 39 HIS H H 39 8.245 8.225 0.020 1
1 436 . 17 1 1 A 39 39 HIS HA H 39 4.460 4.578 -0.118 1
1 441 . 17 1 1 A 39 39 HIS CA C 39 56.031 55.259 0.772 1
1 442 . 17 1 1 A 39 39 HIS CB C 39 30.068 28.154 1.914 1
1 445 . 17 1 1 A 39 39 HIS N N 39 117.908 115.563 2.345 1
1 446 . 17 1 1 A 40 40 ASN H H 40 7.746 7.757 -0.011 1
1 447 . 17 1 1 A 40 40 ASN HA H 40 5.176 4.792 0.384 1
1 452 . 17 1 1 A 40 40 ASN C C 40 176.114 174.463 1.651 1
1 453 . 17 1 1 A 40 40 ASN CA C 40 54.102 54.112 -0.010 1
1 454 . 17 1 1 A 40 40 ASN CB C 40 37.123 38.787 -1.664 1
1 455 . 17 1 1 A 40 40 ASN N N 40 121.018 119.115 1.903 1
1 457 . 17 1 1 A 41 41 SER H H 41 8.492 8.338 0.154 1
1 458 . 17 1 1 A 41 41 SER HA H 41 4.866 5.397 -0.531 1
1 461 . 17 1 1 A 41 41 SER C C 41 172.479 172.622 -0.143 1
1 462 . 17 1 1 A 41 41 SER CA C 41 57.145 56.265 0.880 1
1 463 . 17 1 1 A 41 41 SER CB C 41 66.057 66.407 -0.350 1
1 464 . 17 1 1 A 41 41 SER N N 41 115.675 115.933 -0.258 1
1 465 . 17 1 1 A 42 42 TRP H H 42 8.604 9.101 -0.497 1
1 466 . 17 1 1 A 42 42 TRP HA H 42 4.980 5.385 -0.405 1
1 475 . 17 1 1 A 42 42 TRP C C 42 177.025 175.869 1.156 1
1 476 . 17 1 1 A 42 42 TRP CA C 42 56.477 55.964 0.513 1
1 477 . 17 1 1 A 42 42 TRP CB C 42 29.625 30.321 -0.696 1
1 483 . 17 1 1 A 42 42 TRP N N 42 123.109 125.780 -2.671 1
1 485 . 17 1 1 A 43 43 GLU H H 43 9.916 8.845 1.071 1
1 486 . 17 1 1 A 43 43 GLU HA H 43 5.225 4.915 0.310 1
1 491 . 17 1 1 A 43 43 GLU C C 43 174.192 174.113 0.079 1
1 492 . 17 1 1 A 43 43 GLU CA C 43 52.230 53.172 -0.942 1
1 493 . 17 1 1 A 43 43 GLU CB C 43 32.537 30.933 1.604 1
1 495 . 17 1 1 A 43 43 GLU N N 43 125.182 124.568 0.614 1
1 496 . 17 1 1 A 44 44 PRO HA H 44 4.934 4.946 -0.012 1
1 503 . 17 1 1 A 44 44 PRO C C 44 177.782 177.869 -0.087 1
1 504 . 17 1 1 A 44 44 PRO CA C 44 62.525 62.530 -0.005 1
1 505 . 17 1 1 A 44 44 PRO CB C 44 32.730 32.810 -0.080 1
1 508 . 17 1 1 A 45 45 GLU H H 45 8.637 8.938 -0.301 1
1 509 . 17 1 1 A 45 45 GLU HA H 45 3.965 4.129 -0.164 1
1 514 . 17 1 1 A 45 45 GLU C C 45 177.990 178.606 -0.616 1
1 515 . 17 1 1 A 45 45 GLU CA C 45 60.293 59.699 0.594 1
1 516 . 17 1 1 A 45 45 GLU CB C 45 30.235 29.766 0.469 1
1 518 . 17 1 1 A 45 45 GLU N N 45 120.441 123.452 -3.011 1
1 519 . 17 1 1 A 46 46 GLU H H 46 9.698 8.737 0.961 1
1 520 . 17 1 1 A 46 46 GLU HA H 46 4.243 4.102 0.141 1
1 525 . 17 1 1 A 46 46 GLU C C 46 176.547 178.235 -1.688 1
1 526 . 17 1 1 A 46 46 GLU CA C 46 58.693 58.861 -0.168 1
1 527 . 17 1 1 A 46 46 GLU CB C 46 28.448 28.180 0.268 1
1 529 . 17 1 1 A 46 46 GLU N N 46 117.193 117.324 -0.131 1
1 530 . 17 1 1 A 47 47 ASN H H 47 8.119 8.282 -0.163 1
1 531 . 17 1 1 A 47 47 ASN HA H 47 4.922 4.733 0.189 1
1 536 . 17 1 1 A 47 47 ASN C C 47 175.293 176.218 -0.925 1
1 537 . 17 1 1 A 47 47 ASN CA C 47 52.430 55.144 -2.714 1
1 538 . 17 1 1 A 47 47 ASN CB C 47 38.439 38.921 -0.482 1
1 539 . 17 1 1 A 47 47 ASN N N 47 118.023 116.269 1.754 1
1 541 . 17 1 1 A 48 48 ILE H H 48 7.695 7.337 0.358 1
1 542 . 17 1 1 A 48 48 ILE HA H 48 4.075 4.160 -0.085 1
1 552 . 17 1 1 A 48 48 ILE C C 48 175.029 175.539 -0.510 1
1 553 . 17 1 1 A 48 48 ILE CA C 48 59.749 61.854 -2.105 1
1 554 . 17 1 1 A 48 48 ILE CB C 48 35.109 37.101 -1.992 1
1 558 . 17 1 1 A 48 48 ILE N N 48 121.906 119.990 1.916 1
1 559 . 17 1 1 A 49 49 LEU H H 49 8.137 8.406 -0.269 1
1 560 . 17 1 1 A 49 49 LEU HA H 49 4.286 4.314 -0.028 1
1 570 . 17 1 1 A 49 49 LEU C C 49 176.808 177.249 -0.441 1
1 571 . 17 1 1 A 49 49 LEU CA C 49 55.748 57.013 -1.265 1
1 572 . 17 1 1 A 49 49 LEU CB C 49 42.088 42.894 -0.806 1
1 576 . 17 1 1 A 49 49 LEU N N 49 125.062 129.516 -4.454 1
1 577 . 17 1 1 A 50 50 ASP H H 50 7.284 7.879 -0.595 1
1 578 . 17 1 1 A 50 50 ASP HA H 50 5.077 4.821 0.256 1
1 581 . 17 1 1 A 50 50 ASP C C 50 174.968 175.953 -0.985 1
1 582 . 17 1 1 A 50 50 ASP CA C 50 50.443 51.972 -1.529 1
1 583 . 17 1 1 A 50 50 ASP CB C 50 41.822 40.809 1.013 1
1 584 . 17 1 1 A 50 50 ASP N N 50 118.019 118.019 0.000 1
1 585 . 17 1 1 A 51 51 PRO HA H 51 4.258 4.267 -0.009 1
1 592 . 17 1 1 A 51 51 PRO C C 51 179.037 178.968 0.069 1
1 593 . 17 1 1 A 51 51 PRO CA C 51 64.372 64.985 -0.613 1
1 594 . 17 1 1 A 51 51 PRO CB C 51 32.382 32.017 0.365 1
1 597 . 17 1 1 A 52 52 ARG H H 52 8.253 8.422 -0.169 1
1 598 . 17 1 1 A 52 52 ARG HA H 52 3.995 4.014 -0.019 1
1 605 . 17 1 1 A 52 52 ARG C C 52 179.774 178.806 0.968 1
1 606 . 17 1 1 A 52 52 ARG CA C 52 59.255 59.342 -0.087 1
1 607 . 17 1 1 A 52 52 ARG CB C 52 29.608 29.965 -0.357 1
1 610 . 17 1 1 A 52 52 ARG N N 52 117.657 118.891 -1.234 1
1 611 . 17 1 1 A 53 53 LEU H H 53 7.576 7.948 -0.372 1
1 612 . 17 1 1 A 53 53 LEU HA H 53 4.043 3.887 0.156 1
1 622 . 17 1 1 A 53 53 LEU C C 53 180.197 179.104 1.093 1
1 623 . 17 1 1 A 53 53 LEU CA C 53 57.620 57.667 -0.047 1
1 624 . 17 1 1 A 53 53 LEU CB C 53 42.080 41.874 0.206 1
1 628 . 17 1 1 A 53 53 LEU N N 53 118.887 120.436 -1.549 1
1 629 . 17 1 1 A 54 54 LEU H H 54 7.185 8.120 -0.935 1
1 630 . 17 1 1 A 54 54 LEU HA H 54 3.966 3.703 0.263 1
1 640 . 17 1 1 A 54 54 LEU C C 54 178.631 179.007 -0.376 1
1 641 . 17 1 1 A 54 54 LEU CA C 54 57.549 57.928 -0.379 1
1 642 . 17 1 1 A 54 54 LEU CB C 54 41.646 41.846 -0.200 1
1 646 . 17 1 1 A 54 54 LEU N N 54 119.814 117.530 2.284 1
1 647 . 17 1 1 A 55 55 LEU H H 55 7.791 8.397 -0.606 1
1 648 . 17 1 1 A 55 55 LEU HA H 55 4.132 3.864 0.268 1
1 658 . 17 1 1 A 55 55 LEU C C 55 179.501 178.671 0.830 1
1 659 . 17 1 1 A 55 55 LEU CA C 55 58.007 58.178 -0.171 1
1 660 . 17 1 1 A 55 55 LEU CB C 55 41.523 41.539 -0.016 1
1 664 . 17 1 1 A 55 55 LEU N N 55 120.290 118.137 2.153 1
1 665 . 17 1 1 A 56 56 ALA H H 56 7.771 8.461 -0.690 1
1 666 . 17 1 1 A 56 56 ALA HA H 56 4.145 4.080 0.065 1
1 670 . 17 1 1 A 56 56 ALA C C 56 180.157 180.217 -0.060 1
1 671 . 17 1 1 A 56 56 ALA CA C 56 54.963 55.161 -0.198 1
1 672 . 17 1 1 A 56 56 ALA CB C 56 18.232 18.569 -0.337 1
1 673 . 17 1 1 A 56 56 ALA N N 56 119.874 120.311 -0.437 1
1 674 . 17 1 1 A 57 57 PHE H H 57 7.526 7.619 -0.093 1
1 675 . 17 1 1 A 57 57 PHE HA H 57 4.451 4.129 0.322 1
1 683 . 17 1 1 A 57 57 PHE C C 57 176.838 177.415 -0.577 1
1 684 . 17 1 1 A 57 57 PHE CA C 57 60.822 61.259 -0.437 1
1 685 . 17 1 1 A 57 57 PHE CB C 57 39.878 39.194 0.684 1
1 691 . 17 1 1 A 57 57 PHE N N 57 119.210 119.282 -0.072 1
1 692 . 17 1 1 A 58 58 GLN H H 58 8.415 8.620 -0.205 1
1 693 . 17 1 1 A 58 58 GLN HA H 58 3.874 3.949 -0.075 1
1 700 . 17 1 1 A 58 58 GLN C C 58 178.639 178.352 0.287 1
1 701 . 17 1 1 A 58 58 GLN CA C 58 58.499 59.217 -0.718 1
1 702 . 17 1 1 A 58 58 GLN CB C 58 28.325 28.314 0.011 1
1 704 . 17 1 1 A 58 58 GLN N N 58 118.702 117.389 1.313 1
1 706 . 17 1 1 A 59 59 LYS H H 59 7.918 7.939 -0.021 1
1 707 . 17 1 1 A 59 59 LYS HA H 59 4.121 4.000 0.121 1
1 716 . 17 1 1 A 59 59 LYS C C 59 178.269 178.987 -0.718 1
1 717 . 17 1 1 A 59 59 LYS CA C 59 58.921 59.575 -0.654 1
1 718 . 17 1 1 A 59 59 LYS CB C 59 32.437 32.308 0.129 1
1 722 . 17 1 1 A 59 59 LYS N N 59 119.131 120.606 -1.475 1
1 723 . 17 1 1 A 60 60 LYS H H 60 7.595 7.640 -0.045 1
1 724 . 17 1 1 A 60 60 LYS HA H 60 4.133 4.316 -0.183 1
1 733 . 17 1 1 A 60 60 LYS C C 60 178.836 179.420 -0.584 1
1 734 . 17 1 1 A 60 60 LYS CA C 60 58.323 59.883 -1.560 1
1 735 . 17 1 1 A 60 60 LYS CB C 60 32.150 31.990 0.160 1
1 739 . 17 1 1 A 60 60 LYS N N 60 120.016 118.384 1.632 1
1 740 . 17 1 1 A 61 61 GLU H H 61 8.095 8.256 -0.161 1
1 741 . 17 1 1 A 61 61 GLU HA H 61 3.936 3.797 0.139 1
1 746 . 17 1 1 A 61 61 GLU C C 61 178.233 178.972 -0.739 1
1 747 . 17 1 1 A 61 61 GLU CA C 61 58.605 59.318 -0.713 1
1 748 . 17 1 1 A 61 61 GLU CB C 61 29.806 29.512 0.294 1
1 750 . 17 1 1 A 61 61 GLU N N 61 119.560 119.653 -0.093 1
1 751 . 17 1 1 A 62 62 HIS H H 62 8.037 8.105 -0.068 1
1 752 . 17 1 1 A 62 62 HIS HA H 62 4.517 4.087 0.430 1
1 757 . 17 1 1 A 62 62 HIS C C 62 176.449 177.208 -0.759 1
1 758 . 17 1 1 A 62 62 HIS CA C 62 57.740 59.862 -2.122 1
1 759 . 17 1 1 A 62 62 HIS CB C 62 29.928 29.735 0.193 1
1 762 . 17 1 1 A 62 62 HIS N N 62 118.437 119.704 -1.267 1
1 763 . 17 1 1 A 63 63 GLU H H 63 8.010 8.450 -0.440 1
1 764 . 17 1 1 A 63 63 GLU HA H 63 4.096 4.025 0.071 1
1 769 . 17 1 1 A 63 63 GLU C C 63 177.485 179.245 -1.760 1
1 770 . 17 1 1 A 63 63 GLU CA C 63 57.954 59.520 -1.566 1
1 771 . 17 1 1 A 63 63 GLU CB C 63 29.783 29.495 0.288 1
1 773 . 17 1 1 A 63 63 GLU N N 63 119.622 118.371 1.251 1
1 774 . 17 1 1 A 64 64 LYS H H 64 7.874 7.652 0.222 1
1 775 . 17 1 1 A 64 64 LYS HA H 64 4.213 3.945 0.268 1
1 784 . 17 1 1 A 64 64 LYS C C 64 177.341 177.051 0.290 1
1 785 . 17 1 1 A 64 64 LYS CA C 64 57.479 59.635 -2.156 1
1 786 . 17 1 1 A 64 64 LYS CB C 64 32.684 32.082 0.602 1
1 790 . 17 1 1 A 64 64 LYS N N 64 119.617 120.183 -0.566 1
1 791 . 17 1 1 A 65 65 GLU H H 65 8.044 8.014 0.030 1
1 792 . 17 1 1 A 65 65 GLU HA H 65 4.236 4.288 -0.052 1
1 797 . 17 1 1 A 65 65 GLU C C 65 177.451 175.712 1.739 1
1 798 . 17 1 1 A 65 65 GLU CA C 65 57.426 56.111 1.315 1
1 799 . 17 1 1 A 65 65 GLU CB C 65 29.971 30.422 -0.451 1
1 801 . 17 1 1 A 65 65 GLU N N 65 120.606 118.223 2.383 1
1 802 . 17 1 1 A 66 66 VAL H H 66 8.028 8.399 -0.371 1
1 803 . 17 1 1 A 66 66 VAL HA H 66 4.035 4.134 -0.099 1
1 811 . 17 1 1 A 66 66 VAL C C 66 176.848 175.758 1.090 1
1 812 . 17 1 1 A 66 66 VAL CA C 66 63.160 63.525 -0.365 1
1 813 . 17 1 1 A 66 66 VAL CB C 66 32.396 33.584 -1.188 1
1 816 . 17 1 1 A 66 66 VAL N N 66 119.834 118.845 0.989 1
1 817 . 17 1 1 A 67 67 GLN H H 67 8.265 7.482 0.783 1
1 818 . 17 1 1 A 67 67 GLN HA H 67 4.313 4.251 0.062 1
1 825 . 17 1 1 A 67 67 GLN C C 67 176.073 175.215 0.858 1
1 826 . 17 1 1 A 67 67 GLN CA C 67 56.283 56.127 0.156 1
1 827 . 17 1 1 A 67 67 GLN CB C 67 29.216 29.130 0.086 1
1 829 . 17 1 1 A 67 67 GLN N N 67 122.698 119.970 2.728 1
1 831 . 17 1 1 A 68 68 ASN H H 68 8.391 8.602 -0.211 1
1 832 . 17 1 1 A 68 68 ASN HA H 68 4.782 4.988 -0.206 1
1 837 . 17 1 1 A 68 68 ASN C C 68 175.242 174.483 0.759 1
1 838 . 17 1 1 A 68 68 ASN CA C 68 53.487 52.141 1.346 1
1 839 . 17 1 1 A 68 68 ASN CB C 68 39.138 38.803 0.335 1
1 840 . 17 1 1 A 68 68 ASN N N 68 119.609 122.162 -2.553 1
1 842 . 17 1 1 A 69 69 SER H H 69 8.272 8.594 -0.322 1
1 843 . 17 1 1 A 69 69 SER HA H 69 4.501 4.895 -0.394 1
1 846 . 17 1 1 A 69 69 SER C C 69 174.630 174.915 -0.285 1
1 847 . 17 1 1 A 69 69 SER CA C 69 58.587 57.275 1.312 1
1 848 . 17 1 1 A 69 69 SER CB C 69 64.174 64.753 -0.579 1
1 849 . 17 1 1 A 69 69 SER N N 69 116.106 120.422 -4.316 1
1 850 . 17 1 1 A 70 70 GLY H H 70 8.251 8.550 -0.299 1
1 851 . 17 1 1 A 70 70 GLY HA2 H 70 4.175 4.066 0.109 1
1 852 . 17 1 1 A 70 70 GLY HA3 H 70 4.144 4.068 0.076 1
1 853 . 17 1 1 A 70 70 GLY C C 70 171.843 173.152 -1.309 1
1 854 . 17 1 1 A 70 70 GLY CA C 70 44.709 44.578 0.131 1
1 855 . 17 1 1 A 70 70 GLY N N 70 110.658 108.173 2.485 1
1 856 . 17 1 1 A 71 71 PRO HA H 71 4.501 4.770 -0.269 1
1 863 . 17 1 1 A 71 71 PRO C C 71 177.457 175.380 2.077 1
1 864 . 17 1 1 A 71 71 PRO CA C 71 63.300 62.744 0.556 1
1 865 . 17 1 1 A 71 71 PRO CB C 71 32.008 33.055 -1.047 1
1 868 . 17 1 1 A 72 72 SER H H 72 8.536 8.724 -0.188 1
1 869 . 17 1 1 A 72 72 SER CA C 72 58.429 57.136 1.293 1
1 1 . 18 1 1 A 6 6 SER HA H 6 4.501 4.938 -0.437 1
1 4 . 18 1 1 A 6 6 SER C C 6 175.089 174.155 0.934 1
1 5 . 18 1 1 A 6 6 SER CA C 6 58.675 56.983 1.692 1
1 6 . 18 1 1 A 6 6 SER CB C 6 63.909 66.312 -2.403 1
1 7 . 18 1 1 A 7 7 GLY H H 7 8.374 8.694 -0.320 1
1 8 . 18 1 1 A 7 7 GLY HA2 H 7 3.966 3.950 0.016 1
1 9 . 18 1 1 A 7 7 GLY HA3 H 7 3.966 3.990 -0.024 1
1 10 . 18 1 1 A 7 7 GLY C C 7 174.147 175.227 -1.080 1
1 11 . 18 1 1 A 7 7 GLY CA C 7 45.359 46.421 -1.062 1
1 12 . 18 1 1 A 7 7 GLY N N 7 110.638 111.631 -0.993 1
1 13 . 18 1 1 A 8 8 GLU H H 8 8.255 8.415 -0.160 1
1 14 . 18 1 1 A 8 8 GLU HA H 8 4.273 4.142 0.131 1
1 19 . 18 1 1 A 8 8 GLU C C 8 176.471 176.842 -0.371 1
1 20 . 18 1 1 A 8 8 GLU CA C 8 56.582 58.869 -2.287 1
1 21 . 18 1 1 A 8 8 GLU CB C 8 30.299 30.280 0.019 1
1 23 . 18 1 1 A 8 8 GLU N N 8 120.542 118.187 2.355 1
1 24 . 18 1 1 A 9 9 GLN H H 9 8.397 7.933 0.464 1
1 25 . 18 1 1 A 9 9 GLN HA H 9 4.332 4.772 -0.440 1
1 32 . 18 1 1 A 9 9 GLN C C 9 175.365 175.787 -0.422 1
1 33 . 18 1 1 A 9 9 GLN CA C 9 55.668 54.277 1.391 1
1 34 . 18 1 1 A 9 9 GLN CB C 9 29.560 33.232 -3.672 1
1 36 . 18 1 1 A 9 9 GLN N N 9 121.410 117.243 4.167 1
1 38 . 18 1 1 A 10 10 VAL H H 10 8.104 8.773 -0.669 1
1 39 . 18 1 1 A 10 10 VAL HA H 10 4.054 4.046 0.008 1
1 47 . 18 1 1 A 10 10 VAL C C 10 175.736 175.052 0.684 1
1 48 . 18 1 1 A 10 10 VAL CA C 10 62.334 61.816 0.518 1
1 49 . 18 1 1 A 10 10 VAL CB C 10 33.136 29.823 3.313 1
1 52 . 18 1 1 A 10 10 VAL N N 10 121.590 122.132 -0.542 1
1 53 . 18 1 1 A 11 11 PHE H H 11 8.491 7.481 1.010 1
1 54 . 18 1 1 A 11 11 PHE HA H 11 4.696 4.460 0.236 1
1 62 . 18 1 1 A 11 11 PHE C C 11 174.477 175.479 -1.002 1
1 63 . 18 1 1 A 11 11 PHE CA C 11 57.444 57.611 -0.167 1
1 64 . 18 1 1 A 11 11 PHE CB C 11 39.467 39.166 0.301 1
1 70 . 18 1 1 A 11 11 PHE N N 11 125.302 120.319 4.983 1
1 71 . 18 1 1 A 12 12 ALA H H 12 9.203 9.394 -0.191 1
1 72 . 18 1 1 A 12 12 ALA HA H 12 4.866 5.220 -0.354 1
1 76 . 18 1 1 A 12 12 ALA C C 12 176.813 176.376 0.437 1
1 77 . 18 1 1 A 12 12 ALA CA C 12 51.252 51.750 -0.498 1
1 78 . 18 1 1 A 12 12 ALA CB C 12 20.719 20.746 -0.027 1
1 79 . 18 1 1 A 12 12 ALA N N 12 127.219 122.720 4.499 1
1 80 . 18 1 1 A 13 13 ALA H H 13 8.891 9.159 -0.268 1
1 81 . 18 1 1 A 13 13 ALA HA H 13 3.874 4.000 -0.126 1
1 85 . 18 1 1 A 13 13 ALA C C 13 176.194 177.623 -1.429 1
1 86 . 18 1 1 A 13 13 ALA CA C 13 53.380 52.755 0.625 1
1 87 . 18 1 1 A 13 13 ALA CB C 13 19.448 18.861 0.587 1
1 88 . 18 1 1 A 13 13 ALA N N 13 126.618 126.972 -0.354 1
1 89 . 18 1 1 A 14 14 GLU H H 14 9.604 9.030 0.574 1
1 90 . 18 1 1 A 14 14 GLU HA H 14 4.336 4.178 0.158 1
1 95 . 18 1 1 A 14 14 GLU C C 14 176.093 175.942 0.151 1
1 96 . 18 1 1 A 14 14 GLU CA C 14 57.356 58.649 -1.293 1
1 97 . 18 1 1 A 14 14 GLU CB C 14 32.273 30.713 1.560 1
1 99 . 18 1 1 A 14 14 GLU N N 14 123.285 125.868 -2.583 1
1 100 . 18 1 1 A 15 15 CYS H H 15 7.655 7.425 0.230 1
1 101 . 18 1 1 A 15 15 CYS HA H 15 4.527 4.590 -0.063 1
1 104 . 18 1 1 A 15 15 CYS C C 15 171.003 172.791 -1.788 1
1 105 . 18 1 1 A 15 15 CYS CA C 15 56.674 58.491 -1.817 1
1 106 . 18 1 1 A 15 15 CYS CB C 15 29.765 30.802 -1.037 1
1 107 . 18 1 1 A 15 15 CYS N N 15 110.806 116.183 -5.377 1
1 108 . 18 1 1 A 16 16 ILE H H 16 8.316 8.668 -0.352 1
1 109 . 18 1 1 A 16 16 ILE HA H 16 4.344 4.045 0.299 1
1 119 . 18 1 1 A 16 16 ILE C C 16 175.432 175.496 -0.064 1
1 120 . 18 1 1 A 16 16 ILE CA C 16 60.047 61.600 -1.553 1
1 121 . 18 1 1 A 16 16 ILE CB C 16 39.308 37.239 2.069 1
1 125 . 18 1 1 A 16 16 ILE N N 16 121.665 125.518 -3.853 1
1 126 . 18 1 1 A 17 17 LEU H H 17 9.207 9.038 0.169 1
1 127 . 18 1 1 A 17 17 LEU HA H 17 4.425 4.387 0.038 1
1 137 . 18 1 1 A 17 17 LEU C C 17 177.573 176.353 1.220 1
1 138 . 18 1 1 A 17 17 LEU CA C 17 55.825 55.820 0.005 1
1 139 . 18 1 1 A 17 17 LEU CB C 17 44.400 42.459 1.941 1
1 143 . 18 1 1 A 17 17 LEU N N 17 124.728 129.549 -4.821 1
1 144 . 18 1 1 A 18 18 SER H H 18 7.082 7.342 -0.260 1
1 145 . 18 1 1 A 18 18 SER HA H 18 4.778 4.876 -0.098 1
1 148 . 18 1 1 A 18 18 SER C C 18 171.685 172.444 -0.759 1
1 149 . 18 1 1 A 18 18 SER CA C 18 57.075 56.853 0.222 1
1 150 . 18 1 1 A 18 18 SER CB C 18 64.550 65.743 -1.193 1
1 151 . 18 1 1 A 18 18 SER N N 18 110.441 109.881 0.560 1
1 152 . 18 1 1 A 19 19 LYS H H 19 8.745 9.177 -0.432 1
1 153 . 18 1 1 A 19 19 LYS HA H 19 5.836 5.761 0.075 1
1 162 . 18 1 1 A 19 19 LYS C C 19 174.068 174.871 -0.803 1
1 163 . 18 1 1 A 19 19 LYS CA C 19 54.770 54.754 0.016 1
1 164 . 18 1 1 A 19 19 LYS CB C 19 37.493 36.388 1.105 1
1 168 . 18 1 1 A 19 19 LYS N N 19 120.354 120.300 0.054 1
1 169 . 18 1 1 A 20 20 ARG H H 20 9.264 9.375 -0.111 1
1 170 . 18 1 1 A 20 20 ARG HA H 20 4.703 5.093 -0.390 1
1 178 . 18 1 1 A 20 20 ARG C C 20 171.618 174.174 -2.556 1
1 179 . 18 1 1 A 20 20 ARG CA C 20 54.471 54.597 -0.126 1
1 180 . 18 1 1 A 20 20 ARG CB C 20 32.578 33.601 -1.023 1
1 183 . 18 1 1 A 20 20 ARG N N 20 119.809 119.679 0.130 1
1 185 . 18 1 1 A 21 21 LEU H H 21 8.286 8.822 -0.536 1
1 186 . 18 1 1 A 21 21 LEU HA H 21 4.927 5.102 -0.175 1
1 196 . 18 1 1 A 21 21 LEU C C 21 176.880 175.256 1.624 1
1 197 . 18 1 1 A 21 21 LEU CA C 21 53.433 53.833 -0.400 1
1 198 . 18 1 1 A 21 21 LEU CB C 21 43.905 44.135 -0.230 1
1 202 . 18 1 1 A 21 21 LEU N N 21 121.552 124.939 -3.387 1
1 203 . 18 1 1 A 22 22 ARG H H 22 9.146 8.741 0.405 1
1 204 . 18 1 1 A 22 22 ARG HA H 22 4.434 4.606 -0.172 1
1 211 . 18 1 1 A 22 22 ARG C C 22 175.379 175.120 0.259 1
1 212 . 18 1 1 A 22 22 ARG CA C 22 55.468 55.533 -0.065 1
1 213 . 18 1 1 A 22 22 ARG CB C 22 33.049 32.898 0.151 1
1 216 . 18 1 1 A 22 22 ARG N N 22 126.472 127.023 -0.551 1
1 217 . 18 1 1 A 23 23 LYS H H 23 9.505 9.377 0.128 1
1 218 . 18 1 1 A 23 23 LYS HA H 23 3.839 3.946 -0.107 1
1 227 . 18 1 1 A 23 23 LYS C C 23 176.521 176.917 -0.396 1
1 228 . 18 1 1 A 23 23 LYS CA C 23 57.127 57.404 -0.277 1
1 229 . 18 1 1 A 23 23 LYS CB C 23 29.988 29.971 0.017 1
1 233 . 18 1 1 A 24 24 GLY H H 24 8.438 8.797 -0.359 1
1 234 . 18 1 1 A 24 24 GLY HA2 H 24 4.124 3.843 0.281 1
1 235 . 18 1 1 A 24 24 GLY HA3 H 24 3.517 3.847 -0.330 1
1 236 . 18 1 1 A 24 24 GLY C C 24 173.338 173.650 -0.312 1
1 237 . 18 1 1 A 24 24 GLY CA C 24 45.481 45.449 0.032 1
1 238 . 18 1 1 A 24 24 GLY N N 24 103.048 104.599 -1.551 1
1 239 . 18 1 1 A 25 25 LYS H H 25 7.785 7.633 0.152 1
1 240 . 18 1 1 A 25 25 LYS HA H 25 4.635 4.902 -0.267 1
1 249 . 18 1 1 A 25 25 LYS C C 25 174.733 174.933 -0.200 1
1 250 . 18 1 1 A 25 25 LYS CA C 25 54.365 54.261 0.104 1
1 251 . 18 1 1 A 25 25 LYS CB C 25 34.616 35.681 -1.065 1
1 255 . 18 1 1 A 25 25 LYS N N 25 121.463 115.821 5.642 1
1 256 . 18 1 1 A 26 26 LEU H H 26 8.555 8.459 0.096 1
1 257 . 18 1 1 A 26 26 LEU HA H 26 4.763 4.778 -0.015 1
1 267 . 18 1 1 A 26 26 LEU C C 26 176.596 174.617 1.979 1
1 268 . 18 1 1 A 26 26 LEU CA C 26 54.999 54.366 0.633 1
1 269 . 18 1 1 A 26 26 LEU CB C 26 43.167 43.038 0.129 1
1 273 . 18 1 1 A 26 26 LEU N N 26 124.731 124.801 -0.070 1
1 274 . 18 1 1 A 27 27 GLU H H 27 8.944 9.180 -0.236 1
1 275 . 18 1 1 A 27 27 GLU HA H 27 4.923 4.846 0.077 1
1 280 . 18 1 1 A 27 27 GLU C C 27 174.422 174.850 -0.428 1
1 281 . 18 1 1 A 27 27 GLU CA C 27 53.874 54.779 -0.905 1
1 282 . 18 1 1 A 27 27 GLU CB C 27 35.191 32.947 2.244 1
1 284 . 18 1 1 A 27 27 GLU N N 27 122.189 125.882 -3.693 1
1 285 . 18 1 1 A 28 28 TYR H H 28 9.423 9.708 -0.285 1
1 286 . 18 1 1 A 28 28 TYR HA H 28 5.265 5.017 0.248 1
1 293 . 18 1 1 A 28 28 TYR C C 28 174.020 174.654 -0.634 1
1 294 . 18 1 1 A 28 28 TYR CA C 28 56.511 56.601 -0.090 1
1 295 . 18 1 1 A 28 28 TYR CB C 28 41.646 41.090 0.556 1
1 300 . 18 1 1 A 28 28 TYR N N 28 118.361 122.353 -3.992 1
1 301 . 18 1 1 A 29 29 LEU H H 29 7.779 8.604 -0.825 1
1 302 . 18 1 1 A 29 29 LEU HA H 29 3.634 3.525 0.109 1
1 312 . 18 1 1 A 29 29 LEU C C 29 173.992 174.382 -0.390 1
1 313 . 18 1 1 A 29 29 LEU CA C 29 53.680 53.886 -0.206 1
1 314 . 18 1 1 A 29 29 LEU CB C 29 40.115 41.508 -1.393 1
1 318 . 18 1 1 A 29 29 LEU N N 29 127.541 126.325 1.216 1
1 319 . 18 1 1 A 30 30 VAL H H 30 8.936 8.004 0.932 1
1 320 . 18 1 1 A 30 30 VAL HA H 30 3.915 4.023 -0.108 1
1 328 . 18 1 1 A 30 30 VAL C C 30 173.840 174.082 -0.242 1
1 329 . 18 1 1 A 30 30 VAL CA C 30 62.106 61.523 0.583 1
1 330 . 18 1 1 A 30 30 VAL CB C 30 34.458 32.022 2.436 1
1 333 . 18 1 1 A 30 30 VAL N N 30 130.095 128.439 1.656 1
1 334 . 18 1 1 A 31 31 LYS H H 31 7.596 7.974 -0.378 1
1 335 . 18 1 1 A 31 31 LYS HA H 31 4.525 4.500 0.025 1
1 344 . 18 1 1 A 31 31 LYS C C 31 175.379 174.619 0.760 1
1 345 . 18 1 1 A 31 31 LYS CA C 31 53.574 54.496 -0.922 1
1 346 . 18 1 1 A 31 31 LYS CB C 31 34.848 33.733 1.115 1
1 350 . 18 1 1 A 31 31 LYS N N 31 123.992 126.195 -2.203 1
1 351 . 18 1 1 A 32 32 TRP H H 32 9.368 8.589 0.779 1
1 352 . 18 1 1 A 32 32 TRP HA H 32 4.816 4.894 -0.078 1
1 361 . 18 1 1 A 32 32 TRP C C 32 176.830 177.009 -0.179 1
1 362 . 18 1 1 A 32 32 TRP CA C 32 56.002 58.192 -2.190 1
1 363 . 18 1 1 A 32 32 TRP CB C 32 31.163 29.905 1.258 1
1 369 . 18 1 1 A 32 32 TRP N N 32 131.754 127.973 3.781 1
1 371 . 18 1 1 A 33 33 ARG H H 33 9.455 8.807 0.648 1
1 372 . 18 1 1 A 33 33 ARG HA H 33 4.345 4.054 0.291 1
1 379 . 18 1 1 A 33 33 ARG C C 33 178.092 179.053 -0.961 1
1 380 . 18 1 1 A 33 33 ARG CA C 33 57.590 59.326 -1.736 1
1 381 . 18 1 1 A 33 33 ARG CB C 33 30.400 30.209 0.191 1
1 384 . 18 1 1 A 33 33 ARG N N 33 124.374 125.343 -0.969 1
1 385 . 18 1 1 A 34 34 GLY H H 34 9.319 8.375 0.944 1
1 386 . 18 1 1 A 34 34 GLY HA2 H 34 3.642 3.625 0.017 1
1 387 . 18 1 1 A 34 34 GLY HA3 H 34 3.976 3.773 0.203 1
1 388 . 18 1 1 A 34 34 GLY CA C 34 45.636 46.960 -1.324 1
1 389 . 18 1 1 A 34 34 GLY N N 34 114.254 107.242 7.012 1
1 390 . 18 1 1 A 35 35 TRP H H 35 7.725 8.070 -0.345 1
1 391 . 18 1 1 A 35 35 TRP HA H 35 4.785 5.068 -0.283 1
1 400 . 18 1 1 A 35 35 TRP CA C 35 55.641 56.448 -0.807 1
1 401 . 18 1 1 A 35 35 TRP CB C 35 31.352 29.468 1.884 1
1 407 . 18 1 1 A 35 35 TRP N N 35 120.008 121.649 -1.641 1
1 409 . 18 1 1 A 36 36 SER H H 36 8.785 8.789 -0.004 1
1 410 . 18 1 1 A 36 36 SER HA H 36 4.587 4.397 0.190 1
1 413 . 18 1 1 A 36 36 SER CA C 36 58.364 59.292 -0.928 1
1 414 . 18 1 1 A 36 36 SER CB C 36 64.741 63.393 1.348 1
1 415 . 18 1 1 A 36 36 SER N N 36 117.243 121.913 -4.670 1
1 416 . 18 1 1 A 37 37 SER HA H 37 4.491 4.195 0.296 1
1 419 . 18 1 1 A 37 37 SER CA C 37 60.248 59.112 1.136 1
1 420 . 18 1 1 A 37 37 SER CB C 37 63.340 61.044 2.296 1
1 421 . 18 1 1 A 38 38 LYS HA H 38 4.155 4.830 -0.675 1
1 430 . 18 1 1 A 38 38 LYS CA C 38 58.001 54.419 3.582 1
1 431 . 18 1 1 A 38 38 LYS CB C 38 32.378 35.080 -2.702 1
1 435 . 18 1 1 A 39 39 HIS H H 39 8.245 8.237 0.008 1
1 436 . 18 1 1 A 39 39 HIS HA H 39 4.460 3.931 0.529 1
1 441 . 18 1 1 A 39 39 HIS CA C 39 56.031 56.234 -0.203 1
1 442 . 18 1 1 A 39 39 HIS CB C 39 30.068 26.674 3.394 1
1 445 . 18 1 1 A 39 39 HIS N N 39 117.908 115.362 2.546 1
1 446 . 18 1 1 A 40 40 ASN H H 40 7.746 8.117 -0.371 1
1 447 . 18 1 1 A 40 40 ASN HA H 40 5.176 4.768 0.408 1
1 452 . 18 1 1 A 40 40 ASN C C 40 176.114 174.841 1.273 1
1 453 . 18 1 1 A 40 40 ASN CA C 40 54.102 54.183 -0.081 1
1 454 . 18 1 1 A 40 40 ASN CB C 40 37.123 38.923 -1.800 1
1 455 . 18 1 1 A 40 40 ASN N N 40 121.018 117.403 3.615 1
1 457 . 18 1 1 A 41 41 SER H H 41 8.492 8.689 -0.197 1
1 458 . 18 1 1 A 41 41 SER HA H 41 4.866 5.463 -0.597 1
1 461 . 18 1 1 A 41 41 SER C C 41 172.479 172.689 -0.210 1
1 462 . 18 1 1 A 41 41 SER CA C 41 57.145 56.166 0.979 1
1 463 . 18 1 1 A 41 41 SER CB C 41 66.057 66.357 -0.300 1
1 464 . 18 1 1 A 41 41 SER N N 41 115.675 113.276 2.399 1
1 465 . 18 1 1 A 42 42 TRP H H 42 8.604 9.108 -0.504 1
1 466 . 18 1 1 A 42 42 TRP HA H 42 4.980 5.320 -0.340 1
1 475 . 18 1 1 A 42 42 TRP C C 42 177.025 175.803 1.222 1
1 476 . 18 1 1 A 42 42 TRP CA C 42 56.477 56.011 0.466 1
1 477 . 18 1 1 A 42 42 TRP CB C 42 29.625 30.769 -1.144 1
1 483 . 18 1 1 A 42 42 TRP N N 42 123.109 123.999 -0.890 1
1 485 . 18 1 1 A 43 43 GLU H H 43 9.916 8.782 1.134 1
1 486 . 18 1 1 A 43 43 GLU HA H 43 5.225 4.923 0.302 1
1 491 . 18 1 1 A 43 43 GLU C C 43 174.192 174.109 0.083 1
1 492 . 18 1 1 A 43 43 GLU CA C 43 52.230 53.146 -0.916 1
1 493 . 18 1 1 A 43 43 GLU CB C 43 32.537 30.939 1.598 1
1 495 . 18 1 1 A 43 43 GLU N N 43 125.182 124.351 0.831 1
1 496 . 18 1 1 A 44 44 PRO HA H 44 4.934 4.900 0.034 1
1 503 . 18 1 1 A 44 44 PRO C C 44 177.782 177.785 -0.003 1
1 504 . 18 1 1 A 44 44 PRO CA C 44 62.525 62.585 -0.060 1
1 505 . 18 1 1 A 44 44 PRO CB C 44 32.730 32.586 0.144 1
1 508 . 18 1 1 A 45 45 GLU H H 45 8.637 8.827 -0.190 1
1 509 . 18 1 1 A 45 45 GLU HA H 45 3.965 4.180 -0.215 1
1 514 . 18 1 1 A 45 45 GLU C C 45 177.990 178.543 -0.553 1
1 515 . 18 1 1 A 45 45 GLU CA C 45 60.293 59.703 0.590 1
1 516 . 18 1 1 A 45 45 GLU CB C 45 30.235 29.781 0.454 1
1 518 . 18 1 1 A 45 45 GLU N N 45 120.441 123.277 -2.836 1
1 519 . 18 1 1 A 46 46 GLU H H 46 9.698 8.703 0.995 1
1 520 . 18 1 1 A 46 46 GLU HA H 46 4.243 4.099 0.144 1
1 525 . 18 1 1 A 46 46 GLU C C 46 176.547 178.184 -1.637 1
1 526 . 18 1 1 A 46 46 GLU CA C 46 58.693 58.737 -0.044 1
1 527 . 18 1 1 A 46 46 GLU CB C 46 28.448 28.245 0.203 1
1 529 . 18 1 1 A 46 46 GLU N N 46 117.193 117.124 0.069 1
1 530 . 18 1 1 A 47 47 ASN H H 47 8.119 8.219 -0.100 1
1 531 . 18 1 1 A 47 47 ASN HA H 47 4.922 4.763 0.159 1
1 536 . 18 1 1 A 47 47 ASN C C 47 175.293 175.920 -0.627 1
1 537 . 18 1 1 A 47 47 ASN CA C 47 52.430 54.785 -2.355 1
1 538 . 18 1 1 A 47 47 ASN CB C 47 38.439 39.249 -0.810 1
1 539 . 18 1 1 A 47 47 ASN N N 47 118.023 116.404 1.619 1
1 541 . 18 1 1 A 48 48 ILE H H 48 7.695 7.547 0.148 1
1 542 . 18 1 1 A 48 48 ILE HA H 48 4.075 4.283 -0.208 1
1 552 . 18 1 1 A 48 48 ILE C C 48 175.029 175.596 -0.567 1
1 553 . 18 1 1 A 48 48 ILE CA C 48 59.749 61.575 -1.826 1
1 554 . 18 1 1 A 48 48 ILE CB C 48 35.109 36.950 -1.841 1
1 558 . 18 1 1 A 48 48 ILE N N 48 121.906 120.099 1.807 1
1 559 . 18 1 1 A 49 49 LEU H H 49 8.137 8.570 -0.433 1
1 560 . 18 1 1 A 49 49 LEU HA H 49 4.286 4.331 -0.045 1
1 570 . 18 1 1 A 49 49 LEU C C 49 176.808 177.004 -0.196 1
1 571 . 18 1 1 A 49 49 LEU CA C 49 55.748 56.547 -0.799 1
1 572 . 18 1 1 A 49 49 LEU CB C 49 42.088 42.977 -0.889 1
1 576 . 18 1 1 A 49 49 LEU N N 49 125.062 129.191 -4.129 1
1 577 . 18 1 1 A 50 50 ASP H H 50 7.284 7.797 -0.513 1
1 578 . 18 1 1 A 50 50 ASP HA H 50 5.077 4.812 0.265 1
1 581 . 18 1 1 A 50 50 ASP C C 50 174.968 175.855 -0.887 1
1 582 . 18 1 1 A 50 50 ASP CA C 50 50.443 52.119 -1.676 1
1 583 . 18 1 1 A 50 50 ASP CB C 50 41.822 40.879 0.943 1
1 584 . 18 1 1 A 50 50 ASP N N 50 118.019 118.763 -0.744 1
1 585 . 18 1 1 A 51 51 PRO HA H 51 4.258 4.299 -0.041 1
1 592 . 18 1 1 A 51 51 PRO C C 51 179.037 178.836 0.201 1
1 593 . 18 1 1 A 51 51 PRO CA C 51 64.372 64.713 -0.341 1
1 594 . 18 1 1 A 51 51 PRO CB C 51 32.382 32.155 0.227 1
1 597 . 18 1 1 A 52 52 ARG H H 52 8.253 8.447 -0.194 1
1 598 . 18 1 1 A 52 52 ARG HA H 52 3.995 4.053 -0.058 1
1 605 . 18 1 1 A 52 52 ARG C C 52 179.774 179.046 0.728 1
1 606 . 18 1 1 A 52 52 ARG CA C 52 59.255 59.110 0.145 1
1 607 . 18 1 1 A 52 52 ARG CB C 52 29.608 30.105 -0.497 1
1 610 . 18 1 1 A 52 52 ARG N N 52 117.657 118.575 -0.918 1
1 611 . 18 1 1 A 53 53 LEU H H 53 7.576 7.991 -0.415 1
1 612 . 18 1 1 A 53 53 LEU HA H 53 4.043 3.906 0.137 1
1 622 . 18 1 1 A 53 53 LEU C C 53 180.197 179.058 1.139 1
1 623 . 18 1 1 A 53 53 LEU CA C 53 57.620 57.675 -0.055 1
1 624 . 18 1 1 A 53 53 LEU CB C 53 42.080 41.799 0.281 1
1 628 . 18 1 1 A 53 53 LEU N N 53 118.887 120.409 -1.522 1
1 629 . 18 1 1 A 54 54 LEU H H 54 7.185 8.101 -0.916 1
1 630 . 18 1 1 A 54 54 LEU HA H 54 3.966 3.716 0.250 1
1 640 . 18 1 1 A 54 54 LEU C C 54 178.631 178.955 -0.324 1
1 641 . 18 1 1 A 54 54 LEU CA C 54 57.549 57.961 -0.412 1
1 642 . 18 1 1 A 54 54 LEU CB C 54 41.646 41.787 -0.141 1
1 646 . 18 1 1 A 54 54 LEU N N 54 119.814 117.654 2.160 1
1 647 . 18 1 1 A 55 55 LEU H H 55 7.791 8.332 -0.541 1
1 648 . 18 1 1 A 55 55 LEU HA H 55 4.132 3.875 0.257 1
1 658 . 18 1 1 A 55 55 LEU C C 55 179.501 178.601 0.900 1
1 659 . 18 1 1 A 55 55 LEU CA C 55 58.007 58.188 -0.181 1
1 660 . 18 1 1 A 55 55 LEU CB C 55 41.523 41.559 -0.036 1
1 664 . 18 1 1 A 55 55 LEU N N 55 120.290 118.050 2.240 1
1 665 . 18 1 1 A 56 56 ALA H H 56 7.771 8.397 -0.626 1
1 666 . 18 1 1 A 56 56 ALA HA H 56 4.145 4.085 0.060 1
1 670 . 18 1 1 A 56 56 ALA C C 56 180.157 180.039 0.118 1
1 671 . 18 1 1 A 56 56 ALA CA C 56 54.963 55.156 -0.193 1
1 672 . 18 1 1 A 56 56 ALA CB C 56 18.232 18.561 -0.329 1
1 673 . 18 1 1 A 56 56 ALA N N 56 119.874 120.188 -0.314 1
1 674 . 18 1 1 A 57 57 PHE H H 57 7.526 7.596 -0.070 1
1 675 . 18 1 1 A 57 57 PHE HA H 57 4.451 4.144 0.307 1
1 683 . 18 1 1 A 57 57 PHE C C 57 176.838 177.456 -0.618 1
1 684 . 18 1 1 A 57 57 PHE CA C 57 60.822 61.442 -0.620 1
1 685 . 18 1 1 A 57 57 PHE CB C 57 39.878 39.321 0.557 1
1 691 . 18 1 1 A 57 57 PHE N N 57 119.210 119.080 0.130 1
1 692 . 18 1 1 A 58 58 GLN H H 58 8.415 8.582 -0.167 1
1 693 . 18 1 1 A 58 58 GLN HA H 58 3.874 3.933 -0.059 1
1 700 . 18 1 1 A 58 58 GLN C C 58 178.639 178.831 -0.192 1
1 701 . 18 1 1 A 58 58 GLN CA C 58 58.499 59.215 -0.716 1
1 702 . 18 1 1 A 58 58 GLN CB C 58 28.325 28.307 0.018 1
1 704 . 18 1 1 A 58 58 GLN N N 58 118.702 117.647 1.055 1
1 706 . 18 1 1 A 59 59 LYS H H 59 7.918 7.828 0.090 1
1 707 . 18 1 1 A 59 59 LYS HA H 59 4.121 4.087 0.034 1
1 716 . 18 1 1 A 59 59 LYS C C 59 178.269 179.506 -1.237 1
1 717 . 18 1 1 A 59 59 LYS CA C 59 58.921 59.507 -0.586 1
1 718 . 18 1 1 A 59 59 LYS CB C 59 32.437 32.024 0.413 1
1 722 . 18 1 1 A 59 59 LYS N N 59 119.131 119.825 -0.694 1
1 723 . 18 1 1 A 60 60 LYS H H 60 7.595 7.648 -0.053 1
1 724 . 18 1 1 A 60 60 LYS HA H 60 4.133 4.021 0.112 1
1 733 . 18 1 1 A 60 60 LYS C C 60 178.836 179.464 -0.628 1
1 734 . 18 1 1 A 60 60 LYS CA C 60 58.323 59.788 -1.465 1
1 735 . 18 1 1 A 60 60 LYS CB C 60 32.150 32.177 -0.027 1
1 739 . 18 1 1 A 60 60 LYS N N 60 120.016 119.652 0.364 1
1 740 . 18 1 1 A 61 61 GLU H H 61 8.095 8.199 -0.104 1
1 741 . 18 1 1 A 61 61 GLU HA H 61 3.936 3.773 0.163 1
1 746 . 18 1 1 A 61 61 GLU C C 61 178.233 178.985 -0.752 1
1 747 . 18 1 1 A 61 61 GLU CA C 61 58.605 59.271 -0.666 1
1 748 . 18 1 1 A 61 61 GLU CB C 61 29.806 29.352 0.454 1
1 750 . 18 1 1 A 61 61 GLU N N 61 119.560 119.506 0.054 1
1 751 . 18 1 1 A 62 62 HIS H H 62 8.037 8.015 0.022 1
1 752 . 18 1 1 A 62 62 HIS HA H 62 4.517 4.124 0.393 1
1 757 . 18 1 1 A 62 62 HIS C C 62 176.449 176.786 -0.337 1
1 758 . 18 1 1 A 62 62 HIS CA C 62 57.740 59.848 -2.108 1
1 759 . 18 1 1 A 62 62 HIS CB C 62 29.928 29.601 0.327 1
1 762 . 18 1 1 A 62 62 HIS N N 62 118.437 120.137 -1.700 1
1 763 . 18 1 1 A 63 63 GLU H H 63 8.010 8.533 -0.523 1
1 764 . 18 1 1 A 63 63 GLU HA H 63 4.096 3.831 0.265 1
1 769 . 18 1 1 A 63 63 GLU C C 63 177.485 179.253 -1.768 1
1 770 . 18 1 1 A 63 63 GLU CA C 63 57.954 59.909 -1.955 1
1 771 . 18 1 1 A 63 63 GLU CB C 63 29.783 29.211 0.572 1
1 773 . 18 1 1 A 63 63 GLU N N 63 119.622 117.318 2.304 1
1 774 . 18 1 1 A 64 64 LYS H H 64 7.874 7.449 0.425 1
1 775 . 18 1 1 A 64 64 LYS HA H 64 4.213 4.073 0.140 1
1 784 . 18 1 1 A 64 64 LYS C C 64 177.341 177.111 0.230 1
1 785 . 18 1 1 A 64 64 LYS CA C 64 57.479 59.584 -2.105 1
1 786 . 18 1 1 A 64 64 LYS CB C 64 32.684 32.183 0.501 1
1 790 . 18 1 1 A 64 64 LYS N N 64 119.617 120.238 -0.621 1
1 791 . 18 1 1 A 65 65 GLU H H 65 8.044 7.541 0.503 1
1 792 . 18 1 1 A 65 65 GLU HA H 65 4.236 4.731 -0.495 1
1 797 . 18 1 1 A 65 65 GLU C C 65 177.451 175.719 1.732 1
1 798 . 18 1 1 A 65 65 GLU CA C 65 57.426 55.253 2.173 1
1 799 . 18 1 1 A 65 65 GLU CB C 65 29.971 30.919 -0.948 1
1 801 . 18 1 1 A 65 65 GLU N N 65 120.606 118.301 2.305 1
1 802 . 18 1 1 A 66 66 VAL H H 66 8.028 8.945 -0.917 1
1 803 . 18 1 1 A 66 66 VAL HA H 66 4.035 4.744 -0.709 1
1 811 . 18 1 1 A 66 66 VAL C C 66 176.848 173.961 2.887 1
1 812 . 18 1 1 A 66 66 VAL CA C 66 63.160 59.960 3.200 1
1 813 . 18 1 1 A 66 66 VAL CB C 66 32.396 34.728 -2.332 1
1 816 . 18 1 1 A 66 66 VAL N N 66 119.834 121.385 -1.551 1
1 817 . 18 1 1 A 67 67 GLN H H 67 8.265 8.868 -0.603 1
1 818 . 18 1 1 A 67 67 GLN HA H 67 4.313 5.000 -0.687 1
1 825 . 18 1 1 A 67 67 GLN C C 67 176.073 174.424 1.649 1
1 826 . 18 1 1 A 67 67 GLN CA C 67 56.283 53.847 2.436 1
1 827 . 18 1 1 A 67 67 GLN CB C 67 29.216 32.230 -3.014 1
1 829 . 18 1 1 A 67 67 GLN N N 67 122.698 124.351 -1.653 1
1 831 . 18 1 1 A 68 68 ASN H H 68 8.391 8.628 -0.237 1
1 832 . 18 1 1 A 68 68 ASN HA H 68 4.782 4.681 0.101 1
1 837 . 18 1 1 A 68 68 ASN C C 68 175.242 174.105 1.137 1
1 838 . 18 1 1 A 68 68 ASN CA C 68 53.487 54.145 -0.658 1
1 839 . 18 1 1 A 68 68 ASN CB C 68 39.138 38.767 0.371 1
1 840 . 18 1 1 A 68 68 ASN N N 68 119.609 124.544 -4.935 1
1 842 . 18 1 1 A 69 69 SER H H 69 8.272 8.814 -0.542 1
1 843 . 18 1 1 A 69 69 SER HA H 69 4.501 4.714 -0.213 1
1 846 . 18 1 1 A 69 69 SER C C 69 174.630 172.870 1.760 1
1 847 . 18 1 1 A 69 69 SER CA C 69 58.587 56.797 1.790 1
1 848 . 18 1 1 A 69 69 SER CB C 69 64.174 65.376 -1.202 1
1 849 . 18 1 1 A 69 69 SER N N 69 116.106 120.751 -4.645 1
1 850 . 18 1 1 A 70 70 GLY H H 70 8.251 8.647 -0.396 1
1 851 . 18 1 1 A 70 70 GLY HA2 H 70 4.175 4.250 -0.075 1
1 852 . 18 1 1 A 70 70 GLY HA3 H 70 4.144 4.252 -0.108 1
1 853 . 18 1 1 A 70 70 GLY C C 70 171.843 173.023 -1.180 1
1 854 . 18 1 1 A 70 70 GLY CA C 70 44.709 43.893 0.816 1
1 855 . 18 1 1 A 70 70 GLY N N 70 110.658 111.478 -0.820 1
1 856 . 18 1 1 A 71 71 PRO HA H 71 4.501 4.822 -0.321 1
1 863 . 18 1 1 A 71 71 PRO C C 71 177.457 176.074 1.383 1
1 864 . 18 1 1 A 71 71 PRO CA C 71 63.300 62.863 0.437 1
1 865 . 18 1 1 A 71 71 PRO CB C 71 32.008 33.039 -1.031 1
1 868 . 18 1 1 A 72 72 SER H H 72 8.536 8.327 0.209 1
1 869 . 18 1 1 A 72 72 SER CA C 72 58.429 57.326 1.103 1
1 1 . 19 1 1 A 6 6 SER HA H 6 4.501 5.333 -0.832 1
1 4 . 19 1 1 A 6 6 SER C C 6 175.089 173.595 1.494 1
1 5 . 19 1 1 A 6 6 SER CA C 6 58.675 57.631 1.044 1
1 6 . 19 1 1 A 6 6 SER CB C 6 63.909 66.556 -2.647 1
1 7 . 19 1 1 A 7 7 GLY H H 7 8.374 8.551 -0.177 1
1 8 . 19 1 1 A 7 7 GLY HA2 H 7 3.966 4.106 -0.140 1
1 9 . 19 1 1 A 7 7 GLY HA3 H 7 3.966 4.117 -0.151 1
1 10 . 19 1 1 A 7 7 GLY C C 7 174.147 174.434 -0.287 1
1 11 . 19 1 1 A 7 7 GLY CA C 7 45.359 44.785 0.574 1
1 12 . 19 1 1 A 7 7 GLY N N 7 110.638 109.873 0.765 1
1 13 . 19 1 1 A 8 8 GLU H H 8 8.255 8.206 0.049 1
1 14 . 19 1 1 A 8 8 GLU HA H 8 4.273 4.592 -0.319 1
1 19 . 19 1 1 A 8 8 GLU C C 8 176.471 176.230 0.241 1
1 20 . 19 1 1 A 8 8 GLU CA C 8 56.582 57.257 -0.675 1
1 21 . 19 1 1 A 8 8 GLU CB C 8 30.299 32.290 -1.991 1
1 23 . 19 1 1 A 8 8 GLU N N 8 120.542 122.577 -2.035 1
1 24 . 19 1 1 A 9 9 GLN H H 9 8.397 7.994 0.403 1
1 25 . 19 1 1 A 9 9 GLN HA H 9 4.332 4.418 -0.086 1
1 32 . 19 1 1 A 9 9 GLN C C 9 175.365 175.004 0.361 1
1 33 . 19 1 1 A 9 9 GLN CA C 9 55.668 55.564 0.104 1
1 34 . 19 1 1 A 9 9 GLN CB C 9 29.560 27.691 1.869 1
1 36 . 19 1 1 A 9 9 GLN N N 9 121.410 116.036 5.374 1
1 38 . 19 1 1 A 10 10 VAL H H 10 8.104 8.249 -0.145 1
1 39 . 19 1 1 A 10 10 VAL HA H 10 4.054 3.989 0.065 1
1 47 . 19 1 1 A 10 10 VAL C C 10 175.736 175.144 0.592 1
1 48 . 19 1 1 A 10 10 VAL CA C 10 62.334 62.990 -0.656 1
1 49 . 19 1 1 A 10 10 VAL CB C 10 33.136 32.651 0.485 1
1 52 . 19 1 1 A 10 10 VAL N N 10 121.590 125.310 -3.720 1
1 53 . 19 1 1 A 11 11 PHE H H 11 8.491 8.701 -0.210 1
1 54 . 19 1 1 A 11 11 PHE HA H 11 4.696 5.622 -0.926 1
1 62 . 19 1 1 A 11 11 PHE C C 11 174.477 174.631 -0.154 1
1 63 . 19 1 1 A 11 11 PHE CA C 11 57.444 55.168 2.276 1
1 64 . 19 1 1 A 11 11 PHE CB C 11 39.467 41.177 -1.710 1
1 70 . 19 1 1 A 11 11 PHE N N 11 125.302 125.172 0.130 1
1 71 . 19 1 1 A 12 12 ALA H H 12 9.203 9.120 0.083 1
1 72 . 19 1 1 A 12 12 ALA HA H 12 4.866 5.008 -0.142 1
1 76 . 19 1 1 A 12 12 ALA C C 12 176.813 175.852 0.961 1
1 77 . 19 1 1 A 12 12 ALA CA C 12 51.252 50.959 0.293 1
1 78 . 19 1 1 A 12 12 ALA CB C 12 20.719 19.997 0.722 1
1 79 . 19 1 1 A 12 12 ALA N N 12 127.219 123.887 3.332 1
1 80 . 19 1 1 A 13 13 ALA H H 13 8.891 9.061 -0.170 1
1 81 . 19 1 1 A 13 13 ALA HA H 13 3.874 4.100 -0.226 1
1 85 . 19 1 1 A 13 13 ALA C C 13 176.194 177.230 -1.036 1
1 86 . 19 1 1 A 13 13 ALA CA C 13 53.380 51.832 1.548 1
1 87 . 19 1 1 A 13 13 ALA CB C 13 19.448 18.427 1.021 1
1 88 . 19 1 1 A 13 13 ALA N N 13 126.618 127.251 -0.633 1
1 89 . 19 1 1 A 14 14 GLU H H 14 9.604 8.951 0.653 1
1 90 . 19 1 1 A 14 14 GLU HA H 14 4.336 4.082 0.254 1
1 95 . 19 1 1 A 14 14 GLU C C 14 176.093 175.938 0.155 1
1 96 . 19 1 1 A 14 14 GLU CA C 14 57.356 59.308 -1.952 1
1 97 . 19 1 1 A 14 14 GLU CB C 14 32.273 30.552 1.721 1
1 99 . 19 1 1 A 14 14 GLU N N 14 123.285 124.962 -1.677 1
1 100 . 19 1 1 A 15 15 CYS H H 15 7.655 7.447 0.208 1
1 101 . 19 1 1 A 15 15 CYS HA H 15 4.527 4.568 -0.041 1
1 104 . 19 1 1 A 15 15 CYS C C 15 171.003 172.621 -1.618 1
1 105 . 19 1 1 A 15 15 CYS CA C 15 56.674 58.230 -1.556 1
1 106 . 19 1 1 A 15 15 CYS CB C 15 29.765 30.699 -0.934 1
1 107 . 19 1 1 A 15 15 CYS N N 15 110.806 116.304 -5.498 1
1 108 . 19 1 1 A 16 16 ILE H H 16 8.316 8.644 -0.328 1
1 109 . 19 1 1 A 16 16 ILE HA H 16 4.344 3.987 0.357 1
1 119 . 19 1 1 A 16 16 ILE C C 16 175.432 175.469 -0.037 1
1 120 . 19 1 1 A 16 16 ILE CA C 16 60.047 61.515 -1.468 1
1 121 . 19 1 1 A 16 16 ILE CB C 16 39.308 37.746 1.562 1
1 125 . 19 1 1 A 16 16 ILE N N 16 121.665 124.678 -3.013 1
1 126 . 19 1 1 A 17 17 LEU H H 17 9.207 8.974 0.233 1
1 127 . 19 1 1 A 17 17 LEU HA H 17 4.425 4.434 -0.009 1
1 137 . 19 1 1 A 17 17 LEU C C 17 177.573 176.397 1.176 1
1 138 . 19 1 1 A 17 17 LEU CA C 17 55.825 55.790 0.035 1
1 139 . 19 1 1 A 17 17 LEU CB C 17 44.400 42.674 1.726 1
1 143 . 19 1 1 A 17 17 LEU N N 17 124.728 129.200 -4.472 1
1 144 . 19 1 1 A 18 18 SER H H 18 7.082 7.318 -0.236 1
1 145 . 19 1 1 A 18 18 SER HA H 18 4.778 4.812 -0.034 1
1 148 . 19 1 1 A 18 18 SER C C 18 171.685 172.307 -0.622 1
1 149 . 19 1 1 A 18 18 SER CA C 18 57.075 56.658 0.417 1
1 150 . 19 1 1 A 18 18 SER CB C 18 64.550 65.086 -0.536 1
1 151 . 19 1 1 A 18 18 SER N N 18 110.441 109.392 1.049 1
1 152 . 19 1 1 A 19 19 LYS H H 19 8.745 9.163 -0.418 1
1 153 . 19 1 1 A 19 19 LYS HA H 19 5.836 5.592 0.244 1
1 162 . 19 1 1 A 19 19 LYS C C 19 174.068 174.652 -0.584 1
1 163 . 19 1 1 A 19 19 LYS CA C 19 54.770 54.343 0.427 1
1 164 . 19 1 1 A 19 19 LYS CB C 19 37.493 37.271 0.222 1
1 168 . 19 1 1 A 19 19 LYS N N 19 120.354 119.425 0.929 1
1 169 . 19 1 1 A 20 20 ARG H H 20 9.264 8.852 0.412 1
1 170 . 19 1 1 A 20 20 ARG HA H 20 4.703 5.214 -0.511 1
1 178 . 19 1 1 A 20 20 ARG C C 20 171.618 174.086 -2.468 1
1 179 . 19 1 1 A 20 20 ARG CA C 20 54.471 54.723 -0.252 1
1 180 . 19 1 1 A 20 20 ARG CB C 20 32.578 34.065 -1.487 1
1 183 . 19 1 1 A 20 20 ARG N N 20 119.809 119.213 0.596 1
1 185 . 19 1 1 A 21 21 LEU H H 21 8.286 8.536 -0.250 1
1 186 . 19 1 1 A 21 21 LEU HA H 21 4.927 4.980 -0.053 1
1 196 . 19 1 1 A 21 21 LEU C C 21 176.880 176.027 0.853 1
1 197 . 19 1 1 A 21 21 LEU CA C 21 53.433 54.355 -0.922 1
1 198 . 19 1 1 A 21 21 LEU CB C 21 43.905 45.407 -1.502 1
1 202 . 19 1 1 A 21 21 LEU N N 21 121.552 122.468 -0.916 1
1 203 . 19 1 1 A 22 22 ARG H H 22 9.146 8.853 0.293 1
1 204 . 19 1 1 A 22 22 ARG HA H 22 4.434 4.447 -0.013 1
1 211 . 19 1 1 A 22 22 ARG C C 22 175.379 175.669 -0.290 1
1 212 . 19 1 1 A 22 22 ARG CA C 22 55.468 57.284 -1.816 1
1 213 . 19 1 1 A 22 22 ARG CB C 22 33.049 32.701 0.348 1
1 216 . 19 1 1 A 22 22 ARG N N 22 126.472 128.556 -2.084 1
1 217 . 19 1 1 A 23 23 LYS H H 23 9.505 8.078 1.427 1
1 218 . 19 1 1 A 23 23 LYS HA H 23 3.839 4.437 -0.598 1
1 227 . 19 1 1 A 23 23 LYS C C 23 176.521 176.748 -0.227 1
1 228 . 19 1 1 A 23 23 LYS CA C 23 57.127 54.947 2.180 1
1 229 . 19 1 1 A 23 23 LYS CB C 23 29.988 30.992 -1.004 1
1 233 . 19 1 1 A 24 24 GLY H H 24 8.438 8.270 0.168 1
1 234 . 19 1 1 A 24 24 GLY HA2 H 24 4.124 3.914 0.210 1
1 235 . 19 1 1 A 24 24 GLY HA3 H 24 3.517 3.916 -0.399 1
1 236 . 19 1 1 A 24 24 GLY C C 24 173.338 174.036 -0.698 1
1 237 . 19 1 1 A 24 24 GLY CA C 24 45.481 46.451 -0.970 1
1 238 . 19 1 1 A 24 24 GLY N N 24 103.048 111.972 -8.924 1
1 239 . 19 1 1 A 25 25 LYS H H 25 7.785 7.871 -0.086 1
1 240 . 19 1 1 A 25 25 LYS HA H 25 4.635 4.524 0.111 1
1 249 . 19 1 1 A 25 25 LYS C C 25 174.733 174.305 0.428 1
1 250 . 19 1 1 A 25 25 LYS CA C 25 54.365 55.049 -0.684 1
1 251 . 19 1 1 A 25 25 LYS CB C 25 34.616 34.397 0.219 1
1 255 . 19 1 1 A 25 25 LYS N N 25 121.463 120.299 1.164 1
1 256 . 19 1 1 A 26 26 LEU H H 26 8.555 8.678 -0.123 1
1 257 . 19 1 1 A 26 26 LEU HA H 26 4.763 4.990 -0.227 1
1 267 . 19 1 1 A 26 26 LEU C C 26 176.596 174.475 2.121 1
1 268 . 19 1 1 A 26 26 LEU CA C 26 54.999 53.861 1.138 1
1 269 . 19 1 1 A 26 26 LEU CB C 26 43.167 43.437 -0.270 1
1 273 . 19 1 1 A 26 26 LEU N N 26 124.731 126.940 -2.209 1
1 274 . 19 1 1 A 27 27 GLU H H 27 8.944 9.289 -0.345 1
1 275 . 19 1 1 A 27 27 GLU HA H 27 4.923 4.943 -0.020 1
1 280 . 19 1 1 A 27 27 GLU C C 27 174.422 175.038 -0.616 1
1 281 . 19 1 1 A 27 27 GLU CA C 27 53.874 54.814 -0.940 1
1 282 . 19 1 1 A 27 27 GLU CB C 27 35.191 32.834 2.357 1
1 284 . 19 1 1 A 27 27 GLU N N 27 122.189 126.302 -4.113 1
1 285 . 19 1 1 A 28 28 TYR H H 28 9.423 9.452 -0.029 1
1 286 . 19 1 1 A 28 28 TYR HA H 28 5.265 5.044 0.221 1
1 293 . 19 1 1 A 28 28 TYR C C 28 174.020 174.775 -0.755 1
1 294 . 19 1 1 A 28 28 TYR CA C 28 56.511 56.525 -0.014 1
1 295 . 19 1 1 A 28 28 TYR CB C 28 41.646 40.873 0.773 1
1 300 . 19 1 1 A 28 28 TYR N N 28 118.361 122.715 -4.354 1
1 301 . 19 1 1 A 29 29 LEU H H 29 7.779 8.576 -0.797 1
1 302 . 19 1 1 A 29 29 LEU HA H 29 3.634 3.161 0.473 1
1 312 . 19 1 1 A 29 29 LEU C C 29 173.992 174.340 -0.348 1
1 313 . 19 1 1 A 29 29 LEU CA C 29 53.680 53.885 -0.205 1
1 314 . 19 1 1 A 29 29 LEU CB C 29 40.115 41.028 -0.913 1
1 318 . 19 1 1 A 29 29 LEU N N 29 127.541 125.786 1.755 1
1 319 . 19 1 1 A 30 30 VAL H H 30 8.936 8.031 0.905 1
1 320 . 19 1 1 A 30 30 VAL HA H 30 3.915 3.818 0.097 1
1 328 . 19 1 1 A 30 30 VAL C C 30 173.840 174.584 -0.744 1
1 329 . 19 1 1 A 30 30 VAL CA C 30 62.106 62.269 -0.163 1
1 330 . 19 1 1 A 30 30 VAL CB C 30 34.458 31.962 2.496 1
1 333 . 19 1 1 A 30 30 VAL N N 30 130.095 127.186 2.909 1
1 334 . 19 1 1 A 31 31 LYS H H 31 7.596 7.883 -0.287 1
1 335 . 19 1 1 A 31 31 LYS HA H 31 4.525 5.008 -0.483 1
1 344 . 19 1 1 A 31 31 LYS C C 31 175.379 174.466 0.913 1
1 345 . 19 1 1 A 31 31 LYS CA C 31 53.574 54.287 -0.713 1
1 346 . 19 1 1 A 31 31 LYS CB C 31 34.848 34.316 0.532 1
1 350 . 19 1 1 A 31 31 LYS N N 31 123.992 126.763 -2.771 1
1 351 . 19 1 1 A 32 32 TRP H H 32 9.368 8.515 0.853 1
1 352 . 19 1 1 A 32 32 TRP HA H 32 4.816 5.278 -0.462 1
1 361 . 19 1 1 A 32 32 TRP C C 32 176.830 176.808 0.022 1
1 362 . 19 1 1 A 32 32 TRP CA C 32 56.002 56.052 -0.050 1
1 363 . 19 1 1 A 32 32 TRP CB C 32 31.163 32.429 -1.266 1
1 369 . 19 1 1 A 32 32 TRP N N 32 131.754 126.554 5.200 1
1 371 . 19 1 1 A 33 33 ARG H H 33 9.455 9.381 0.074 1
1 372 . 19 1 1 A 33 33 ARG HA H 33 4.345 4.204 0.141 1
1 379 . 19 1 1 A 33 33 ARG C C 33 178.092 178.933 -0.841 1
1 380 . 19 1 1 A 33 33 ARG CA C 33 57.590 59.062 -1.472 1
1 381 . 19 1 1 A 33 33 ARG CB C 33 30.400 30.725 -0.325 1
1 384 . 19 1 1 A 33 33 ARG N N 33 124.374 125.146 -0.772 1
1 385 . 19 1 1 A 34 34 GLY H H 34 9.319 8.364 0.955 1
1 386 . 19 1 1 A 34 34 GLY HA2 H 34 3.642 3.557 0.085 1
1 387 . 19 1 1 A 34 34 GLY HA3 H 34 3.976 3.655 0.321 1
1 388 . 19 1 1 A 34 34 GLY CA C 34 45.636 47.380 -1.744 1
1 389 . 19 1 1 A 34 34 GLY N N 34 114.254 107.117 7.137 1
1 390 . 19 1 1 A 35 35 TRP H H 35 7.725 8.110 -0.385 1
1 391 . 19 1 1 A 35 35 TRP HA H 35 4.785 5.115 -0.330 1
1 400 . 19 1 1 A 35 35 TRP CA C 35 55.641 56.649 -1.008 1
1 401 . 19 1 1 A 35 35 TRP CB C 35 31.352 32.443 -1.091 1
1 407 . 19 1 1 A 35 35 TRP N N 35 120.008 119.696 0.312 1
1 409 . 19 1 1 A 36 36 SER H H 36 8.785 9.403 -0.618 1
1 410 . 19 1 1 A 36 36 SER HA H 36 4.587 4.873 -0.286 1
1 413 . 19 1 1 A 36 36 SER CA C 36 58.364 57.329 1.035 1
1 414 . 19 1 1 A 36 36 SER CB C 36 64.741 65.447 -0.706 1
1 415 . 19 1 1 A 36 36 SER N N 36 117.243 116.434 0.809 1
1 416 . 19 1 1 A 37 37 SER HA H 37 4.491 4.189 0.302 1
1 419 . 19 1 1 A 37 37 SER CA C 37 60.248 62.083 -1.835 1
1 420 . 19 1 1 A 37 37 SER CB C 37 63.340 62.783 0.557 1
1 421 . 19 1 1 A 38 38 LYS HA H 38 4.155 4.037 0.118 1
1 430 . 19 1 1 A 38 38 LYS CA C 38 58.001 59.201 -1.200 1
1 431 . 19 1 1 A 38 38 LYS CB C 38 32.378 32.041 0.337 1
1 435 . 19 1 1 A 39 39 HIS H H 39 8.245 8.194 0.051 1
1 436 . 19 1 1 A 39 39 HIS HA H 39 4.460 4.759 -0.299 1
1 441 . 19 1 1 A 39 39 HIS CA C 39 56.031 54.648 1.383 1
1 442 . 19 1 1 A 39 39 HIS CB C 39 30.068 27.904 2.164 1
1 445 . 19 1 1 A 39 39 HIS N N 39 117.908 115.170 2.738 1
1 446 . 19 1 1 A 40 40 ASN H H 40 7.746 7.620 0.126 1
1 447 . 19 1 1 A 40 40 ASN HA H 40 5.176 5.222 -0.046 1
1 452 . 19 1 1 A 40 40 ASN C C 40 176.114 174.907 1.207 1
1 453 . 19 1 1 A 40 40 ASN CA C 40 54.102 52.193 1.909 1
1 454 . 19 1 1 A 40 40 ASN CB C 40 37.123 39.917 -2.794 1
1 455 . 19 1 1 A 40 40 ASN N N 40 121.018 118.807 2.211 1
1 457 . 19 1 1 A 41 41 SER H H 41 8.492 8.271 0.221 1
1 458 . 19 1 1 A 41 41 SER HA H 41 4.866 5.274 -0.408 1
1 461 . 19 1 1 A 41 41 SER C C 41 172.479 173.053 -0.574 1
1 462 . 19 1 1 A 41 41 SER CA C 41 57.145 57.803 -0.658 1
1 463 . 19 1 1 A 41 41 SER CB C 41 66.057 66.078 -0.021 1
1 464 . 19 1 1 A 41 41 SER N N 41 115.675 115.237 0.438 1
1 465 . 19 1 1 A 42 42 TRP H H 42 8.604 9.102 -0.498 1
1 466 . 19 1 1 A 42 42 TRP HA H 42 4.980 4.934 0.046 1
1 475 . 19 1 1 A 42 42 TRP C C 42 177.025 176.203 0.822 1
1 476 . 19 1 1 A 42 42 TRP CA C 42 56.477 57.370 -0.893 1
1 477 . 19 1 1 A 42 42 TRP CB C 42 29.625 29.430 0.195 1
1 483 . 19 1 1 A 42 42 TRP N N 42 123.109 127.175 -4.066 1
1 485 . 19 1 1 A 43 43 GLU H H 43 9.916 8.646 1.270 1
1 486 . 19 1 1 A 43 43 GLU HA H 43 5.225 4.892 0.333 1
1 491 . 19 1 1 A 43 43 GLU C C 43 174.192 174.109 0.083 1
1 492 . 19 1 1 A 43 43 GLU CA C 43 52.230 53.039 -0.809 1
1 493 . 19 1 1 A 43 43 GLU CB C 43 32.537 30.681 1.856 1
1 495 . 19 1 1 A 43 43 GLU N N 43 125.182 124.839 0.343 1
1 496 . 19 1 1 A 44 44 PRO HA H 44 4.934 4.967 -0.033 1
1 503 . 19 1 1 A 44 44 PRO C C 44 177.782 177.649 0.133 1
1 504 . 19 1 1 A 44 44 PRO CA C 44 62.525 62.543 -0.018 1
1 505 . 19 1 1 A 44 44 PRO CB C 44 32.730 32.581 0.149 1
1 508 . 19 1 1 A 45 45 GLU H H 45 8.637 9.143 -0.506 1
1 509 . 19 1 1 A 45 45 GLU HA H 45 3.965 4.134 -0.169 1
1 514 . 19 1 1 A 45 45 GLU C C 45 177.990 178.566 -0.576 1
1 515 . 19 1 1 A 45 45 GLU CA C 45 60.293 59.716 0.577 1
1 516 . 19 1 1 A 45 45 GLU CB C 45 30.235 29.649 0.586 1
1 518 . 19 1 1 A 45 45 GLU N N 45 120.441 123.278 -2.837 1
1 519 . 19 1 1 A 46 46 GLU H H 46 9.698 8.706 0.992 1
1 520 . 19 1 1 A 46 46 GLU HA H 46 4.243 4.077 0.166 1
1 525 . 19 1 1 A 46 46 GLU C C 46 176.547 178.064 -1.517 1
1 526 . 19 1 1 A 46 46 GLU CA C 46 58.693 59.034 -0.341 1
1 527 . 19 1 1 A 46 46 GLU CB C 46 28.448 28.625 -0.177 1
1 529 . 19 1 1 A 46 46 GLU N N 46 117.193 117.337 -0.144 1
1 530 . 19 1 1 A 47 47 ASN H H 47 8.119 7.981 0.138 1
1 531 . 19 1 1 A 47 47 ASN HA H 47 4.922 4.690 0.232 1
1 536 . 19 1 1 A 47 47 ASN C C 47 175.293 175.971 -0.678 1
1 537 . 19 1 1 A 47 47 ASN CA C 47 52.430 54.566 -2.136 1
1 538 . 19 1 1 A 47 47 ASN CB C 47 38.439 38.992 -0.553 1
1 539 . 19 1 1 A 47 47 ASN N N 47 118.023 116.259 1.764 1
1 541 . 19 1 1 A 48 48 ILE H H 48 7.695 7.447 0.248 1
1 542 . 19 1 1 A 48 48 ILE HA H 48 4.075 4.247 -0.172 1
1 552 . 19 1 1 A 48 48 ILE C C 48 175.029 175.581 -0.552 1
1 553 . 19 1 1 A 48 48 ILE CA C 48 59.749 61.588 -1.839 1
1 554 . 19 1 1 A 48 48 ILE CB C 48 35.109 36.922 -1.813 1
1 558 . 19 1 1 A 48 48 ILE N N 48 121.906 120.079 1.827 1
1 559 . 19 1 1 A 49 49 LEU H H 49 8.137 8.515 -0.378 1
1 560 . 19 1 1 A 49 49 LEU HA H 49 4.286 4.347 -0.061 1
1 570 . 19 1 1 A 49 49 LEU C C 49 176.808 176.995 -0.187 1
1 571 . 19 1 1 A 49 49 LEU CA C 49 55.748 56.559 -0.811 1
1 572 . 19 1 1 A 49 49 LEU CB C 49 42.088 43.001 -0.913 1
1 576 . 19 1 1 A 49 49 LEU N N 49 125.062 129.395 -4.333 1
1 577 . 19 1 1 A 50 50 ASP H H 50 7.284 7.862 -0.578 1
1 578 . 19 1 1 A 50 50 ASP HA H 50 5.077 4.846 0.231 1
1 581 . 19 1 1 A 50 50 ASP C C 50 174.968 175.960 -0.992 1
1 582 . 19 1 1 A 50 50 ASP CA C 50 50.443 52.022 -1.579 1
1 583 . 19 1 1 A 50 50 ASP CB C 50 41.822 40.879 0.943 1
1 584 . 19 1 1 A 50 50 ASP N N 50 118.019 118.513 -0.494 1
1 585 . 19 1 1 A 51 51 PRO HA H 51 4.258 4.273 -0.015 1
1 592 . 19 1 1 A 51 51 PRO C C 51 179.037 178.898 0.139 1
1 593 . 19 1 1 A 51 51 PRO CA C 51 64.372 64.928 -0.556 1
1 594 . 19 1 1 A 51 51 PRO CB C 51 32.382 32.062 0.320 1
1 597 . 19 1 1 A 52 52 ARG H H 52 8.253 8.379 -0.126 1
1 598 . 19 1 1 A 52 52 ARG HA H 52 3.995 4.045 -0.050 1
1 605 . 19 1 1 A 52 52 ARG C C 52 179.774 178.820 0.954 1
1 606 . 19 1 1 A 52 52 ARG CA C 52 59.255 59.292 -0.037 1
1 607 . 19 1 1 A 52 52 ARG CB C 52 29.608 29.976 -0.368 1
1 610 . 19 1 1 A 52 52 ARG N N 52 117.657 118.471 -0.814 1
1 611 . 19 1 1 A 53 53 LEU H H 53 7.576 7.940 -0.364 1
1 612 . 19 1 1 A 53 53 LEU HA H 53 4.043 3.948 0.095 1
1 622 . 19 1 1 A 53 53 LEU C C 53 180.197 179.111 1.086 1
1 623 . 19 1 1 A 53 53 LEU CA C 53 57.620 57.679 -0.059 1
1 624 . 19 1 1 A 53 53 LEU CB C 53 42.080 41.734 0.346 1
1 628 . 19 1 1 A 53 53 LEU N N 53 118.887 120.312 -1.425 1
1 629 . 19 1 1 A 54 54 LEU H H 54 7.185 8.086 -0.901 1
1 630 . 19 1 1 A 54 54 LEU HA H 54 3.966 3.692 0.274 1
1 640 . 19 1 1 A 54 54 LEU C C 54 178.631 179.300 -0.669 1
1 641 . 19 1 1 A 54 54 LEU CA C 54 57.549 58.023 -0.474 1
1 642 . 19 1 1 A 54 54 LEU CB C 54 41.646 41.710 -0.064 1
1 646 . 19 1 1 A 54 54 LEU N N 54 119.814 117.581 2.233 1
1 647 . 19 1 1 A 55 55 LEU H H 55 7.791 8.442 -0.651 1
1 648 . 19 1 1 A 55 55 LEU HA H 55 4.132 3.853 0.279 1
1 658 . 19 1 1 A 55 55 LEU C C 55 179.501 178.592 0.909 1
1 659 . 19 1 1 A 55 55 LEU CA C 55 58.007 58.170 -0.163 1
1 660 . 19 1 1 A 55 55 LEU CB C 55 41.523 41.401 0.122 1
1 664 . 19 1 1 A 55 55 LEU N N 55 120.290 118.642 1.648 1
1 665 . 19 1 1 A 56 56 ALA H H 56 7.771 8.303 -0.532 1
1 666 . 19 1 1 A 56 56 ALA HA H 56 4.145 4.082 0.063 1
1 670 . 19 1 1 A 56 56 ALA C C 56 180.157 180.117 0.040 1
1 671 . 19 1 1 A 56 56 ALA CA C 56 54.963 55.155 -0.192 1
1 672 . 19 1 1 A 56 56 ALA CB C 56 18.232 18.559 -0.327 1
1 673 . 19 1 1 A 56 56 ALA N N 56 119.874 120.195 -0.321 1
1 674 . 19 1 1 A 57 57 PHE H H 57 7.526 7.545 -0.019 1
1 675 . 19 1 1 A 57 57 PHE HA H 57 4.451 4.126 0.325 1
1 683 . 19 1 1 A 57 57 PHE C C 57 176.838 177.436 -0.598 1
1 684 . 19 1 1 A 57 57 PHE CA C 57 60.822 61.410 -0.588 1
1 685 . 19 1 1 A 57 57 PHE CB C 57 39.878 39.206 0.672 1
1 691 . 19 1 1 A 57 57 PHE N N 57 119.210 119.364 -0.154 1
1 692 . 19 1 1 A 58 58 GLN H H 58 8.415 8.509 -0.094 1
1 693 . 19 1 1 A 58 58 GLN HA H 58 3.874 3.939 -0.065 1
1 700 . 19 1 1 A 58 58 GLN C C 58 178.639 178.784 -0.145 1
1 701 . 19 1 1 A 58 58 GLN CA C 58 58.499 59.198 -0.699 1
1 702 . 19 1 1 A 58 58 GLN CB C 58 28.325 28.300 0.025 1
1 704 . 19 1 1 A 58 58 GLN N N 58 118.702 117.611 1.091 1
1 706 . 19 1 1 A 59 59 LYS H H 59 7.918 7.763 0.155 1
1 707 . 19 1 1 A 59 59 LYS HA H 59 4.121 4.105 0.016 1
1 716 . 19 1 1 A 59 59 LYS C C 59 178.269 179.641 -1.372 1
1 717 . 19 1 1 A 59 59 LYS CA C 59 58.921 59.419 -0.498 1
1 718 . 19 1 1 A 59 59 LYS CB C 59 32.437 32.255 0.182 1
1 722 . 19 1 1 A 59 59 LYS N N 59 119.131 119.691 -0.560 1
1 723 . 19 1 1 A 60 60 LYS H H 60 7.595 7.693 -0.098 1
1 724 . 19 1 1 A 60 60 LYS HA H 60 4.133 3.896 0.237 1
1 733 . 19 1 1 A 60 60 LYS C C 60 178.836 179.401 -0.565 1
1 734 . 19 1 1 A 60 60 LYS CA C 60 58.323 59.902 -1.579 1
1 735 . 19 1 1 A 60 60 LYS CB C 60 32.150 32.035 0.115 1
1 739 . 19 1 1 A 60 60 LYS N N 60 120.016 119.832 0.184 1
1 740 . 19 1 1 A 61 61 GLU H H 61 8.095 8.200 -0.105 1
1 741 . 19 1 1 A 61 61 GLU HA H 61 3.936 3.775 0.161 1
1 746 . 19 1 1 A 61 61 GLU C C 61 178.233 178.879 -0.646 1
1 747 . 19 1 1 A 61 61 GLU CA C 61 58.605 59.395 -0.790 1
1 748 . 19 1 1 A 61 61 GLU CB C 61 29.806 29.322 0.484 1
1 750 . 19 1 1 A 61 61 GLU N N 61 119.560 119.535 0.025 1
1 751 . 19 1 1 A 62 62 HIS H H 62 8.037 7.735 0.302 1
1 752 . 19 1 1 A 62 62 HIS HA H 62 4.517 4.064 0.453 1
1 757 . 19 1 1 A 62 62 HIS C C 62 176.449 177.258 -0.809 1
1 758 . 19 1 1 A 62 62 HIS CA C 62 57.740 59.803 -2.063 1
1 759 . 19 1 1 A 62 62 HIS CB C 62 29.928 29.794 0.134 1
1 762 . 19 1 1 A 62 62 HIS N N 62 118.437 119.507 -1.070 1
1 763 . 19 1 1 A 63 63 GLU H H 63 8.010 8.334 -0.324 1
1 764 . 19 1 1 A 63 63 GLU HA H 63 4.096 4.163 -0.067 1
1 769 . 19 1 1 A 63 63 GLU C C 63 177.485 179.252 -1.767 1
1 770 . 19 1 1 A 63 63 GLU CA C 63 57.954 59.524 -1.570 1
1 771 . 19 1 1 A 63 63 GLU CB C 63 29.783 29.625 0.158 1
1 773 . 19 1 1 A 63 63 GLU N N 63 119.622 117.937 1.685 1
1 774 . 19 1 1 A 64 64 LYS H H 64 7.874 7.817 0.057 1
1 775 . 19 1 1 A 64 64 LYS HA H 64 4.213 3.976 0.237 1
1 784 . 19 1 1 A 64 64 LYS C C 64 177.341 177.816 -0.475 1
1 785 . 19 1 1 A 64 64 LYS CA C 64 57.479 59.672 -2.193 1
1 786 . 19 1 1 A 64 64 LYS CB C 64 32.684 32.252 0.432 1
1 790 . 19 1 1 A 64 64 LYS N N 64 119.617 120.480 -0.863 1
1 791 . 19 1 1 A 65 65 GLU H H 65 8.044 7.955 0.089 1
1 792 . 19 1 1 A 65 65 GLU HA H 65 4.236 4.394 -0.158 1
1 797 . 19 1 1 A 65 65 GLU C C 65 177.451 175.502 1.949 1
1 798 . 19 1 1 A 65 65 GLU CA C 65 57.426 56.652 0.774 1
1 799 . 19 1 1 A 65 65 GLU CB C 65 29.971 30.867 -0.896 1
1 801 . 19 1 1 A 65 65 GLU N N 65 120.606 117.978 2.628 1
1 802 . 19 1 1 A 66 66 VAL H H 66 8.028 8.542 -0.514 1
1 803 . 19 1 1 A 66 66 VAL HA H 66 4.035 4.839 -0.804 1
1 811 . 19 1 1 A 66 66 VAL C C 66 176.848 175.410 1.438 1
1 812 . 19 1 1 A 66 66 VAL CA C 66 63.160 60.632 2.528 1
1 813 . 19 1 1 A 66 66 VAL CB C 66 32.396 33.651 -1.255 1
1 816 . 19 1 1 A 66 66 VAL N N 66 119.834 118.767 1.067 1
1 817 . 19 1 1 A 67 67 GLN H H 67 8.265 8.599 -0.334 1
1 818 . 19 1 1 A 67 67 GLN HA H 67 4.313 4.666 -0.353 1
1 825 . 19 1 1 A 67 67 GLN C C 67 176.073 175.760 0.313 1
1 826 . 19 1 1 A 67 67 GLN CA C 67 56.283 54.657 1.626 1
1 827 . 19 1 1 A 67 67 GLN CB C 67 29.216 29.931 -0.715 1
1 829 . 19 1 1 A 67 67 GLN N N 67 122.698 124.397 -1.699 1
1 831 . 19 1 1 A 68 68 ASN H H 68 8.391 8.541 -0.150 1
1 832 . 19 1 1 A 68 68 ASN HA H 68 4.782 4.897 -0.115 1
1 837 . 19 1 1 A 68 68 ASN C C 68 175.242 175.736 -0.494 1
1 838 . 19 1 1 A 68 68 ASN CA C 68 53.487 53.570 -0.083 1
1 839 . 19 1 1 A 68 68 ASN CB C 68 39.138 40.341 -1.203 1
1 840 . 19 1 1 A 68 68 ASN N N 68 119.609 117.092 2.517 1
1 842 . 19 1 1 A 69 69 SER H H 69 8.272 7.842 0.430 1
1 843 . 19 1 1 A 69 69 SER HA H 69 4.501 4.468 0.033 1
1 846 . 19 1 1 A 69 69 SER C C 69 174.630 174.406 0.224 1
1 847 . 19 1 1 A 69 69 SER CA C 69 58.587 59.292 -0.705 1
1 848 . 19 1 1 A 69 69 SER CB C 69 64.174 64.586 -0.412 1
1 849 . 19 1 1 A 69 69 SER N N 69 116.106 115.379 0.727 1
1 850 . 19 1 1 A 70 70 GLY H H 70 8.251 8.312 -0.061 1
1 851 . 19 1 1 A 70 70 GLY HA2 H 70 4.175 4.033 0.142 1
1 852 . 19 1 1 A 70 70 GLY HA3 H 70 4.144 4.035 0.109 1
1 853 . 19 1 1 A 70 70 GLY C C 70 171.843 174.291 -2.448 1
1 854 . 19 1 1 A 70 70 GLY CA C 70 44.709 46.794 -2.085 1
1 855 . 19 1 1 A 70 70 GLY N N 70 110.658 111.450 -0.792 1
1 856 . 19 1 1 A 71 71 PRO HA H 71 4.501 4.678 -0.177 1
1 863 . 19 1 1 A 71 71 PRO C C 71 177.457 176.210 1.247 1
1 864 . 19 1 1 A 71 71 PRO CA C 71 63.300 62.911 0.389 1
1 865 . 19 1 1 A 71 71 PRO CB C 71 32.008 31.604 0.404 1
1 868 . 19 1 1 A 72 72 SER H H 72 8.536 8.323 0.213 1
1 869 . 19 1 1 A 72 72 SER CA C 72 58.429 57.329 1.100 1
1 1 . 20 1 1 A 6 6 SER HA H 6 4.501 4.963 -0.462 1
1 4 . 20 1 1 A 6 6 SER C C 6 175.089 173.085 2.004 1
1 5 . 20 1 1 A 6 6 SER CA C 6 58.675 57.683 0.992 1
1 6 . 20 1 1 A 6 6 SER CB C 6 63.909 65.769 -1.860 1
1 7 . 20 1 1 A 7 7 GLY H H 7 8.374 8.276 0.098 1
1 8 . 20 1 1 A 7 7 GLY HA2 H 7 3.966 4.100 -0.134 1
1 9 . 20 1 1 A 7 7 GLY HA3 H 7 3.966 4.178 -0.212 1
1 10 . 20 1 1 A 7 7 GLY C C 7 174.147 173.431 0.716 1
1 11 . 20 1 1 A 7 7 GLY CA C 7 45.359 46.089 -0.730 1
1 12 . 20 1 1 A 7 7 GLY N N 7 110.638 111.347 -0.709 1
1 13 . 20 1 1 A 8 8 GLU H H 8 8.255 8.216 0.039 1
1 14 . 20 1 1 A 8 8 GLU HA H 8 4.273 4.478 -0.205 1
1 19 . 20 1 1 A 8 8 GLU C C 8 176.471 176.249 0.222 1
1 20 . 20 1 1 A 8 8 GLU CA C 8 56.582 57.324 -0.742 1
1 21 . 20 1 1 A 8 8 GLU CB C 8 30.299 32.085 -1.786 1
1 23 . 20 1 1 A 8 8 GLU N N 8 120.542 124.655 -4.113 1
1 24 . 20 1 1 A 9 9 GLN H H 9 8.397 7.523 0.874 1
1 25 . 20 1 1 A 9 9 GLN HA H 9 4.332 4.698 -0.366 1
1 32 . 20 1 1 A 9 9 GLN C C 9 175.365 174.233 1.132 1
1 33 . 20 1 1 A 9 9 GLN CA C 9 55.668 54.073 1.595 1
1 34 . 20 1 1 A 9 9 GLN CB C 9 29.560 31.922 -2.362 1
1 36 . 20 1 1 A 9 9 GLN N N 9 121.410 113.761 7.649 1
1 38 . 20 1 1 A 10 10 VAL H H 10 8.104 8.334 -0.230 1
1 39 . 20 1 1 A 10 10 VAL HA H 10 4.054 3.889 0.165 1
1 47 . 20 1 1 A 10 10 VAL C C 10 175.736 176.224 -0.488 1
1 48 . 20 1 1 A 10 10 VAL CA C 10 62.334 62.730 -0.396 1
1 49 . 20 1 1 A 10 10 VAL CB C 10 33.136 32.526 0.610 1
1 52 . 20 1 1 A 10 10 VAL N N 10 121.590 123.362 -1.772 1
1 53 . 20 1 1 A 11 11 PHE H H 11 8.491 8.623 -0.132 1
1 54 . 20 1 1 A 11 11 PHE HA H 11 4.696 4.461 0.235 1
1 62 . 20 1 1 A 11 11 PHE C C 11 174.477 176.720 -2.243 1
1 63 . 20 1 1 A 11 11 PHE CA C 11 57.444 59.149 -1.705 1
1 64 . 20 1 1 A 11 11 PHE CB C 11 39.467 39.552 -0.085 1
1 70 . 20 1 1 A 11 11 PHE N N 11 125.302 126.821 -1.519 1
1 71 . 20 1 1 A 12 12 ALA H H 12 9.203 8.792 0.411 1
1 72 . 20 1 1 A 12 12 ALA HA H 12 4.866 4.822 0.044 1
1 76 . 20 1 1 A 12 12 ALA C C 12 176.813 177.610 -0.797 1
1 77 . 20 1 1 A 12 12 ALA CA C 12 51.252 51.377 -0.125 1
1 78 . 20 1 1 A 12 12 ALA CB C 12 20.719 19.770 0.949 1
1 79 . 20 1 1 A 12 12 ALA N N 12 127.219 124.764 2.455 1
1 80 . 20 1 1 A 13 13 ALA H H 13 8.891 7.914 0.977 1
1 81 . 20 1 1 A 13 13 ALA HA H 13 3.874 3.848 0.026 1
1 85 . 20 1 1 A 13 13 ALA C C 13 176.194 177.597 -1.403 1
1 86 . 20 1 1 A 13 13 ALA CA C 13 53.380 52.760 0.620 1
1 87 . 20 1 1 A 13 13 ALA CB C 13 19.448 19.282 0.166 1
1 88 . 20 1 1 A 13 13 ALA N N 13 126.618 121.746 4.872 1
1 89 . 20 1 1 A 14 14 GLU H H 14 9.604 9.033 0.571 1
1 90 . 20 1 1 A 14 14 GLU HA H 14 4.336 4.111 0.225 1
1 95 . 20 1 1 A 14 14 GLU C C 14 176.093 175.954 0.139 1
1 96 . 20 1 1 A 14 14 GLU CA C 14 57.356 59.168 -1.812 1
1 97 . 20 1 1 A 14 14 GLU CB C 14 32.273 30.573 1.700 1
1 99 . 20 1 1 A 14 14 GLU N N 14 123.285 124.544 -1.259 1
1 100 . 20 1 1 A 15 15 CYS H H 15 7.655 7.444 0.211 1
1 101 . 20 1 1 A 15 15 CYS HA H 15 4.527 4.581 -0.054 1
1 104 . 20 1 1 A 15 15 CYS C C 15 171.003 172.760 -1.757 1
1 105 . 20 1 1 A 15 15 CYS CA C 15 56.674 58.201 -1.527 1
1 106 . 20 1 1 A 15 15 CYS CB C 15 29.765 30.773 -1.008 1
1 107 . 20 1 1 A 15 15 CYS N N 15 110.806 116.079 -5.273 1
1 108 . 20 1 1 A 16 16 ILE H H 16 8.316 8.645 -0.329 1
1 109 . 20 1 1 A 16 16 ILE HA H 16 4.344 3.845 0.499 1
1 119 . 20 1 1 A 16 16 ILE C C 16 175.432 175.524 -0.092 1
1 120 . 20 1 1 A 16 16 ILE CA C 16 60.047 61.458 -1.411 1
1 121 . 20 1 1 A 16 16 ILE CB C 16 39.308 37.146 2.162 1
1 125 . 20 1 1 A 16 16 ILE N N 16 121.665 124.875 -3.210 1
1 126 . 20 1 1 A 17 17 LEU H H 17 9.207 9.225 -0.018 1
1 127 . 20 1 1 A 17 17 LEU HA H 17 4.425 4.387 0.038 1
1 137 . 20 1 1 A 17 17 LEU C C 17 177.573 176.410 1.163 1
1 138 . 20 1 1 A 17 17 LEU CA C 17 55.825 55.971 -0.146 1
1 139 . 20 1 1 A 17 17 LEU CB C 17 44.400 42.466 1.934 1
1 143 . 20 1 1 A 17 17 LEU N N 17 124.728 129.519 -4.791 1
1 144 . 20 1 1 A 18 18 SER H H 18 7.082 7.387 -0.305 1
1 145 . 20 1 1 A 18 18 SER HA H 18 4.778 4.995 -0.217 1
1 148 . 20 1 1 A 18 18 SER C C 18 171.685 172.359 -0.674 1
1 149 . 20 1 1 A 18 18 SER CA C 18 57.075 56.861 0.214 1
1 150 . 20 1 1 A 18 18 SER CB C 18 64.550 65.406 -0.856 1
1 151 . 20 1 1 A 18 18 SER N N 18 110.441 109.881 0.560 1
1 152 . 20 1 1 A 19 19 LYS H H 19 8.745 9.148 -0.403 1
1 153 . 20 1 1 A 19 19 LYS HA H 19 5.836 5.760 0.076 1
1 162 . 20 1 1 A 19 19 LYS C C 19 174.068 174.633 -0.565 1
1 163 . 20 1 1 A 19 19 LYS CA C 19 54.770 54.468 0.302 1
1 164 . 20 1 1 A 19 19 LYS CB C 19 37.493 37.257 0.236 1
1 168 . 20 1 1 A 19 19 LYS N N 19 120.354 119.729 0.625 1
1 169 . 20 1 1 A 20 20 ARG H H 20 9.264 9.246 0.018 1
1 170 . 20 1 1 A 20 20 ARG HA H 20 4.703 4.990 -0.287 1
1 178 . 20 1 1 A 20 20 ARG C C 20 171.618 173.360 -1.742 1
1 179 . 20 1 1 A 20 20 ARG CA C 20 54.471 54.201 0.270 1
1 180 . 20 1 1 A 20 20 ARG CB C 20 32.578 33.794 -1.216 1
1 183 . 20 1 1 A 20 20 ARG N N 20 119.809 119.191 0.618 1
1 185 . 20 1 1 A 21 21 LEU H H 21 8.286 8.547 -0.261 1
1 186 . 20 1 1 A 21 21 LEU HA H 21 4.927 5.298 -0.371 1
1 196 . 20 1 1 A 21 21 LEU C C 21 176.880 175.154 1.726 1
1 197 . 20 1 1 A 21 21 LEU CA C 21 53.433 53.365 0.068 1
1 198 . 20 1 1 A 21 21 LEU CB C 21 43.905 45.841 -1.936 1
1 202 . 20 1 1 A 21 21 LEU N N 21 121.552 121.934 -0.382 1
1 203 . 20 1 1 A 22 22 ARG H H 22 9.146 8.767 0.379 1
1 204 . 20 1 1 A 22 22 ARG HA H 22 4.434 4.338 0.096 1
1 211 . 20 1 1 A 22 22 ARG C C 22 175.379 175.784 -0.405 1
1 212 . 20 1 1 A 22 22 ARG CA C 22 55.468 54.882 0.586 1
1 213 . 20 1 1 A 22 22 ARG CB C 22 33.049 28.732 4.317 1
1 216 . 20 1 1 A 22 22 ARG N N 22 126.472 127.824 -1.352 1
1 217 . 20 1 1 A 23 23 LYS H H 23 9.505 7.961 1.544 1
1 218 . 20 1 1 A 23 23 LYS HA H 23 3.839 3.974 -0.135 1
1 227 . 20 1 1 A 23 23 LYS C C 23 176.521 176.540 -0.019 1
1 228 . 20 1 1 A 23 23 LYS CA C 23 57.127 57.413 -0.286 1
1 229 . 20 1 1 A 23 23 LYS CB C 23 29.988 30.653 -0.665 1
1 233 . 20 1 1 A 24 24 GLY H H 24 8.438 8.298 0.140 1
1 234 . 20 1 1 A 24 24 GLY HA2 H 24 4.124 4.047 0.077 1
1 235 . 20 1 1 A 24 24 GLY HA3 H 24 3.517 4.047 -0.530 1
1 236 . 20 1 1 A 24 24 GLY C C 24 173.338 174.534 -1.196 1
1 237 . 20 1 1 A 24 24 GLY CA C 24 45.481 45.316 0.165 1
1 238 . 20 1 1 A 24 24 GLY N N 24 103.048 105.455 -2.407 1
1 239 . 20 1 1 A 25 25 LYS H H 25 7.785 7.761 0.024 1
1 240 . 20 1 1 A 25 25 LYS HA H 25 4.635 4.723 -0.088 1
1 249 . 20 1 1 A 25 25 LYS C C 25 174.733 174.636 0.097 1
1 250 . 20 1 1 A 25 25 LYS CA C 25 54.365 54.206 0.159 1
1 251 . 20 1 1 A 25 25 LYS CB C 25 34.616 34.799 -0.183 1
1 255 . 20 1 1 A 25 25 LYS N N 25 121.463 120.126 1.337 1
1 256 . 20 1 1 A 26 26 LEU H H 26 8.555 8.656 -0.101 1
1 257 . 20 1 1 A 26 26 LEU HA H 26 4.763 5.090 -0.327 1
1 267 . 20 1 1 A 26 26 LEU C C 26 176.596 174.843 1.753 1
1 268 . 20 1 1 A 26 26 LEU CA C 26 54.999 53.244 1.755 1
1 269 . 20 1 1 A 26 26 LEU CB C 26 43.167 44.918 -1.751 1
1 273 . 20 1 1 A 26 26 LEU N N 26 124.731 124.086 0.645 1
1 274 . 20 1 1 A 27 27 GLU H H 27 8.944 9.260 -0.316 1
1 275 . 20 1 1 A 27 27 GLU HA H 27 4.923 4.935 -0.012 1
1 280 . 20 1 1 A 27 27 GLU C C 27 174.422 175.097 -0.675 1
1 281 . 20 1 1 A 27 27 GLU CA C 27 53.874 54.791 -0.917 1
1 282 . 20 1 1 A 27 27 GLU CB C 27 35.191 33.205 1.986 1
1 284 . 20 1 1 A 27 27 GLU N N 27 122.189 126.197 -4.008 1
1 285 . 20 1 1 A 28 28 TYR H H 28 9.423 9.395 0.028 1
1 286 . 20 1 1 A 28 28 TYR HA H 28 5.265 5.077 0.188 1
1 293 . 20 1 1 A 28 28 TYR C C 28 174.020 174.497 -0.477 1
1 294 . 20 1 1 A 28 28 TYR CA C 28 56.511 56.300 0.211 1
1 295 . 20 1 1 A 28 28 TYR CB C 28 41.646 41.062 0.584 1
1 300 . 20 1 1 A 28 28 TYR N N 28 118.361 122.263 -3.902 1
1 301 . 20 1 1 A 29 29 LEU H H 29 7.779 8.463 -0.684 1
1 302 . 20 1 1 A 29 29 LEU HA H 29 3.634 3.399 0.235 1
1 312 . 20 1 1 A 29 29 LEU C C 29 173.992 174.432 -0.440 1
1 313 . 20 1 1 A 29 29 LEU CA C 29 53.680 53.824 -0.144 1
1 314 . 20 1 1 A 29 29 LEU CB C 29 40.115 41.194 -1.079 1
1 318 . 20 1 1 A 29 29 LEU N N 29 127.541 126.285 1.256 1
1 319 . 20 1 1 A 30 30 VAL H H 30 8.936 7.931 1.005 1
1 320 . 20 1 1 A 30 30 VAL HA H 30 3.915 3.781 0.134 1
1 328 . 20 1 1 A 30 30 VAL C C 30 173.840 174.494 -0.654 1
1 329 . 20 1 1 A 30 30 VAL CA C 30 62.106 61.870 0.236 1
1 330 . 20 1 1 A 30 30 VAL CB C 30 34.458 31.689 2.769 1
1 333 . 20 1 1 A 30 30 VAL N N 30 130.095 127.076 3.019 1
1 334 . 20 1 1 A 31 31 LYS H H 31 7.596 7.941 -0.345 1
1 335 . 20 1 1 A 31 31 LYS HA H 31 4.525 4.630 -0.105 1
1 344 . 20 1 1 A 31 31 LYS C C 31 175.379 174.412 0.967 1
1 345 . 20 1 1 A 31 31 LYS CA C 31 53.574 54.432 -0.858 1
1 346 . 20 1 1 A 31 31 LYS CB C 31 34.848 33.925 0.923 1
1 350 . 20 1 1 A 31 31 LYS N N 31 123.992 126.187 -2.195 1
1 351 . 20 1 1 A 32 32 TRP H H 32 9.368 8.178 1.190 1
1 352 . 20 1 1 A 32 32 TRP HA H 32 4.816 5.161 -0.345 1
1 361 . 20 1 1 A 32 32 TRP C C 32 176.830 176.284 0.546 1
1 362 . 20 1 1 A 32 32 TRP CA C 32 56.002 56.903 -0.901 1
1 363 . 20 1 1 A 32 32 TRP CB C 32 31.163 30.632 0.531 1
1 369 . 20 1 1 A 32 32 TRP N N 32 131.754 128.713 3.041 1
1 371 . 20 1 1 A 33 33 ARG H H 33 9.455 8.979 0.476 1
1 372 . 20 1 1 A 33 33 ARG HA H 33 4.345 3.890 0.455 1
1 379 . 20 1 1 A 33 33 ARG C C 33 178.092 177.452 0.640 1
1 380 . 20 1 1 A 33 33 ARG CA C 33 57.590 58.070 -0.480 1
1 381 . 20 1 1 A 33 33 ARG CB C 33 30.400 30.394 0.006 1
1 384 . 20 1 1 A 33 33 ARG N N 33 124.374 124.006 0.368 1
1 385 . 20 1 1 A 34 34 GLY H H 34 9.319 8.905 0.414 1
1 386 . 20 1 1 A 34 34 GLY HA2 H 34 3.642 3.835 -0.193 1
1 387 . 20 1 1 A 34 34 GLY HA3 H 34 3.976 3.891 0.085 1
1 388 . 20 1 1 A 34 34 GLY CA C 34 45.636 45.488 0.148 1
1 389 . 20 1 1 A 34 34 GLY N N 34 114.254 110.935 3.319 1
1 390 . 20 1 1 A 35 35 TRP H H 35 7.725 7.981 -0.256 1
1 391 . 20 1 1 A 35 35 TRP HA H 35 4.785 4.721 0.064 1
1 400 . 20 1 1 A 35 35 TRP CA C 35 55.641 58.032 -2.391 1
1 401 . 20 1 1 A 35 35 TRP CB C 35 31.352 30.360 0.992 1
1 407 . 20 1 1 A 35 35 TRP N N 35 120.008 121.983 -1.975 1
1 409 . 20 1 1 A 36 36 SER H H 36 8.785 9.018 -0.233 1
1 410 . 20 1 1 A 36 36 SER HA H 36 4.587 4.646 -0.059 1
1 413 . 20 1 1 A 36 36 SER CA C 36 58.364 58.205 0.159 1
1 414 . 20 1 1 A 36 36 SER CB C 36 64.741 65.025 -0.284 1
1 415 . 20 1 1 A 36 36 SER N N 36 117.243 120.346 -3.103 1
1 416 . 20 1 1 A 37 37 SER HA H 37 4.491 4.155 0.336 1
1 419 . 20 1 1 A 37 37 SER CA C 37 60.248 61.699 -1.451 1
1 420 . 20 1 1 A 37 37 SER CB C 37 63.340 63.026 0.314 1
1 421 . 20 1 1 A 38 38 LYS HA H 38 4.155 4.030 0.125 1
1 430 . 20 1 1 A 38 38 LYS CA C 38 58.001 58.769 -0.768 1
1 431 . 20 1 1 A 38 38 LYS CB C 38 32.378 32.222 0.156 1
1 435 . 20 1 1 A 39 39 HIS H H 39 8.245 7.604 0.641 1
1 436 . 20 1 1 A 39 39 HIS HA H 39 4.460 4.817 -0.357 1
1 441 . 20 1 1 A 39 39 HIS CA C 39 56.031 54.725 1.306 1
1 442 . 20 1 1 A 39 39 HIS CB C 39 30.068 27.825 2.243 1
1 445 . 20 1 1 A 39 39 HIS N N 39 117.908 114.153 3.755 1
1 446 . 20 1 1 A 40 40 ASN H H 40 7.746 7.765 -0.019 1
1 447 . 20 1 1 A 40 40 ASN HA H 40 5.176 5.394 -0.218 1
1 452 . 20 1 1 A 40 40 ASN C C 40 176.114 174.700 1.414 1
1 453 . 20 1 1 A 40 40 ASN CA C 40 54.102 51.870 2.232 1
1 454 . 20 1 1 A 40 40 ASN CB C 40 37.123 40.463 -3.340 1
1 455 . 20 1 1 A 40 40 ASN N N 40 121.018 117.974 3.044 1
1 457 . 20 1 1 A 41 41 SER H H 41 8.492 8.714 -0.222 1
1 458 . 20 1 1 A 41 41 SER HA H 41 4.866 5.043 -0.177 1
1 461 . 20 1 1 A 41 41 SER C C 41 172.479 173.036 -0.557 1
1 462 . 20 1 1 A 41 41 SER CA C 41 57.145 57.655 -0.510 1
1 463 . 20 1 1 A 41 41 SER CB C 41 66.057 66.387 -0.330 1
1 464 . 20 1 1 A 41 41 SER N N 41 115.675 115.462 0.213 1
1 465 . 20 1 1 A 42 42 TRP H H 42 8.604 9.140 -0.536 1
1 466 . 20 1 1 A 42 42 TRP HA H 42 4.980 5.066 -0.086 1
1 475 . 20 1 1 A 42 42 TRP C C 42 177.025 175.959 1.066 1
1 476 . 20 1 1 A 42 42 TRP CA C 42 56.477 56.568 -0.091 1
1 477 . 20 1 1 A 42 42 TRP CB C 42 29.625 29.327 0.298 1
1 483 . 20 1 1 A 42 42 TRP N N 42 123.109 125.955 -2.846 1
1 485 . 20 1 1 A 43 43 GLU H H 43 9.916 8.656 1.260 1
1 486 . 20 1 1 A 43 43 GLU HA H 43 5.225 4.915 0.310 1
1 491 . 20 1 1 A 43 43 GLU C C 43 174.192 174.235 -0.043 1
1 492 . 20 1 1 A 43 43 GLU CA C 43 52.230 53.232 -1.002 1
1 493 . 20 1 1 A 43 43 GLU CB C 43 32.537 30.443 2.094 1
1 495 . 20 1 1 A 43 43 GLU N N 43 125.182 124.899 0.283 1
1 496 . 20 1 1 A 44 44 PRO HA H 44 4.934 4.941 -0.007 1
1 503 . 20 1 1 A 44 44 PRO C C 44 177.782 177.745 0.037 1
1 504 . 20 1 1 A 44 44 PRO CA C 44 62.525 62.575 -0.050 1
1 505 . 20 1 1 A 44 44 PRO CB C 44 32.730 32.807 -0.077 1
1 508 . 20 1 1 A 45 45 GLU H H 45 8.637 8.862 -0.225 1
1 509 . 20 1 1 A 45 45 GLU HA H 45 3.965 4.155 -0.190 1
1 514 . 20 1 1 A 45 45 GLU C C 45 177.990 178.483 -0.493 1
1 515 . 20 1 1 A 45 45 GLU CA C 45 60.293 59.729 0.564 1
1 516 . 20 1 1 A 45 45 GLU CB C 45 30.235 29.565 0.670 1
1 518 . 20 1 1 A 45 45 GLU N N 45 120.441 123.377 -2.936 1
1 519 . 20 1 1 A 46 46 GLU H H 46 9.698 8.854 0.844 1
1 520 . 20 1 1 A 46 46 GLU HA H 46 4.243 4.171 0.072 1
1 525 . 20 1 1 A 46 46 GLU C C 46 176.547 177.955 -1.408 1
1 526 . 20 1 1 A 46 46 GLU CA C 46 58.693 58.643 0.050 1
1 527 . 20 1 1 A 46 46 GLU CB C 46 28.448 27.615 0.833 1
1 529 . 20 1 1 A 46 46 GLU N N 46 117.193 116.970 0.223 1
1 530 . 20 1 1 A 47 47 ASN H H 47 8.119 8.133 -0.014 1
1 531 . 20 1 1 A 47 47 ASN HA H 47 4.922 4.696 0.226 1
1 536 . 20 1 1 A 47 47 ASN C C 47 175.293 175.763 -0.470 1
1 537 . 20 1 1 A 47 47 ASN CA C 47 52.430 54.558 -2.128 1
1 538 . 20 1 1 A 47 47 ASN CB C 47 38.439 39.397 -0.958 1
1 539 . 20 1 1 A 47 47 ASN N N 47 118.023 116.769 1.254 1
1 541 . 20 1 1 A 48 48 ILE H H 48 7.695 7.182 0.513 1
1 542 . 20 1 1 A 48 48 ILE HA H 48 4.075 4.144 -0.069 1
1 552 . 20 1 1 A 48 48 ILE C C 48 175.029 175.506 -0.477 1
1 553 . 20 1 1 A 48 48 ILE CA C 48 59.749 61.727 -1.978 1
1 554 . 20 1 1 A 48 48 ILE CB C 48 35.109 36.924 -1.815 1
1 558 . 20 1 1 A 48 48 ILE N N 48 121.906 120.094 1.812 1
1 559 . 20 1 1 A 49 49 LEU H H 49 8.137 8.335 -0.198 1
1 560 . 20 1 1 A 49 49 LEU HA H 49 4.286 4.300 -0.014 1
1 570 . 20 1 1 A 49 49 LEU C C 49 176.808 177.253 -0.445 1
1 571 . 20 1 1 A 49 49 LEU CA C 49 55.748 57.075 -1.327 1
1 572 . 20 1 1 A 49 49 LEU CB C 49 42.088 42.813 -0.725 1
1 576 . 20 1 1 A 49 49 LEU N N 49 125.062 129.388 -4.326 1
1 577 . 20 1 1 A 50 50 ASP H H 50 7.284 7.833 -0.549 1
1 578 . 20 1 1 A 50 50 ASP HA H 50 5.077 4.820 0.257 1
1 581 . 20 1 1 A 50 50 ASP C C 50 174.968 175.936 -0.968 1
1 582 . 20 1 1 A 50 50 ASP CA C 50 50.443 51.979 -1.536 1
1 583 . 20 1 1 A 50 50 ASP CB C 50 41.822 40.843 0.979 1
1 584 . 20 1 1 A 50 50 ASP N N 50 118.019 118.466 -0.447 1
1 585 . 20 1 1 A 51 51 PRO HA H 51 4.258 4.258 0.000 1
1 592 . 20 1 1 A 51 51 PRO C C 51 179.037 178.890 0.147 1
1 593 . 20 1 1 A 51 51 PRO CA C 51 64.372 64.903 -0.531 1
1 594 . 20 1 1 A 51 51 PRO CB C 51 32.382 32.058 0.324 1
1 597 . 20 1 1 A 52 52 ARG H H 52 8.253 8.420 -0.167 1
1 598 . 20 1 1 A 52 52 ARG HA H 52 3.995 4.046 -0.051 1
1 605 . 20 1 1 A 52 52 ARG C C 52 179.774 178.654 1.120 1
1 606 . 20 1 1 A 52 52 ARG CA C 52 59.255 59.324 -0.069 1
1 607 . 20 1 1 A 52 52 ARG CB C 52 29.608 29.955 -0.347 1
1 610 . 20 1 1 A 52 52 ARG N N 52 117.657 118.672 -1.015 1
1 611 . 20 1 1 A 53 53 LEU H H 53 7.576 7.849 -0.273 1
1 612 . 20 1 1 A 53 53 LEU HA H 53 4.043 3.898 0.145 1
1 622 . 20 1 1 A 53 53 LEU C C 53 180.197 178.891 1.306 1
1 623 . 20 1 1 A 53 53 LEU CA C 53 57.620 57.779 -0.159 1
1 624 . 20 1 1 A 53 53 LEU CB C 53 42.080 41.925 0.155 1
1 628 . 20 1 1 A 53 53 LEU N N 53 118.887 120.261 -1.374 1
1 629 . 20 1 1 A 54 54 LEU H H 54 7.185 8.103 -0.918 1
1 630 . 20 1 1 A 54 54 LEU HA H 54 3.966 3.641 0.325 1
1 640 . 20 1 1 A 54 54 LEU C C 54 178.631 179.312 -0.681 1
1 641 . 20 1 1 A 54 54 LEU CA C 54 57.549 57.999 -0.450 1
1 642 . 20 1 1 A 54 54 LEU CB C 54 41.646 41.625 0.021 1
1 646 . 20 1 1 A 54 54 LEU N N 54 119.814 117.507 2.307 1
1 647 . 20 1 1 A 55 55 LEU H H 55 7.791 8.326 -0.535 1
1 648 . 20 1 1 A 55 55 LEU HA H 55 4.132 3.850 0.282 1
1 658 . 20 1 1 A 55 55 LEU C C 55 179.501 178.595 0.906 1
1 659 . 20 1 1 A 55 55 LEU CA C 55 58.007 58.133 -0.126 1
1 660 . 20 1 1 A 55 55 LEU CB C 55 41.523 41.477 0.046 1
1 664 . 20 1 1 A 55 55 LEU N N 55 120.290 118.319 1.971 1
1 665 . 20 1 1 A 56 56 ALA H H 56 7.771 8.380 -0.609 1
1 666 . 20 1 1 A 56 56 ALA HA H 56 4.145 4.078 0.067 1
1 670 . 20 1 1 A 56 56 ALA C C 56 180.157 180.254 -0.097 1
1 671 . 20 1 1 A 56 56 ALA CA C 56 54.963 55.140 -0.177 1
1 672 . 20 1 1 A 56 56 ALA CB C 56 18.232 18.557 -0.325 1
1 673 . 20 1 1 A 56 56 ALA N N 56 119.874 120.182 -0.308 1
1 674 . 20 1 1 A 57 57 PHE H H 57 7.526 7.516 0.010 1
1 675 . 20 1 1 A 57 57 PHE HA H 57 4.451 4.143 0.308 1
1 683 . 20 1 1 A 57 57 PHE C C 57 176.838 177.346 -0.508 1
1 684 . 20 1 1 A 57 57 PHE CA C 57 60.822 61.431 -0.609 1
1 685 . 20 1 1 A 57 57 PHE CB C 57 39.878 39.198 0.680 1
1 691 . 20 1 1 A 57 57 PHE N N 57 119.210 119.326 -0.116 1
1 692 . 20 1 1 A 58 58 GLN H H 58 8.415 8.594 -0.179 1
1 693 . 20 1 1 A 58 58 GLN HA H 58 3.874 4.095 -0.221 1
1 700 . 20 1 1 A 58 58 GLN C C 58 178.639 178.184 0.455 1
1 701 . 20 1 1 A 58 58 GLN CA C 58 58.499 59.279 -0.780 1
1 702 . 20 1 1 A 58 58 GLN CB C 58 28.325 28.308 0.017 1
1 704 . 20 1 1 A 58 58 GLN N N 58 118.702 117.648 1.054 1
1 706 . 20 1 1 A 59 59 LYS H H 59 7.918 7.910 0.008 1
1 707 . 20 1 1 A 59 59 LYS HA H 59 4.121 3.980 0.141 1
1 716 . 20 1 1 A 59 59 LYS C C 59 178.269 179.053 -0.784 1
1 717 . 20 1 1 A 59 59 LYS CA C 59 58.921 59.514 -0.593 1
1 718 . 20 1 1 A 59 59 LYS CB C 59 32.437 32.170 0.267 1
1 722 . 20 1 1 A 59 59 LYS N N 59 119.131 120.657 -1.526 1
1 723 . 20 1 1 A 60 60 LYS H H 60 7.595 7.694 -0.099 1
1 724 . 20 1 1 A 60 60 LYS HA H 60 4.133 4.286 -0.153 1
1 733 . 20 1 1 A 60 60 LYS C C 60 178.836 179.513 -0.677 1
1 734 . 20 1 1 A 60 60 LYS CA C 60 58.323 59.736 -1.413 1
1 735 . 20 1 1 A 60 60 LYS CB C 60 32.150 31.914 0.236 1
1 739 . 20 1 1 A 60 60 LYS N N 60 120.016 118.494 1.522 1
1 740 . 20 1 1 A 61 61 GLU H H 61 8.095 8.200 -0.105 1
1 741 . 20 1 1 A 61 61 GLU HA H 61 3.936 3.805 0.131 1
1 746 . 20 1 1 A 61 61 GLU C C 61 178.233 179.259 -1.026 1
1 747 . 20 1 1 A 61 61 GLU CA C 61 58.605 59.265 -0.660 1
1 748 . 20 1 1 A 61 61 GLU CB C 61 29.806 29.349 0.457 1
1 750 . 20 1 1 A 61 61 GLU N N 61 119.560 119.914 -0.354 1
1 751 . 20 1 1 A 62 62 HIS H H 62 8.037 8.228 -0.191 1
1 752 . 20 1 1 A 62 62 HIS HA H 62 4.517 4.185 0.332 1
1 757 . 20 1 1 A 62 62 HIS C C 62 176.449 177.303 -0.854 1
1 758 . 20 1 1 A 62 62 HIS CA C 62 57.740 60.085 -2.345 1
1 759 . 20 1 1 A 62 62 HIS CB C 62 29.928 29.298 0.630 1
1 762 . 20 1 1 A 62 62 HIS N N 62 118.437 120.272 -1.835 1
1 763 . 20 1 1 A 63 63 GLU H H 63 8.010 8.419 -0.409 1
1 764 . 20 1 1 A 63 63 GLU HA H 63 4.096 4.135 -0.039 1
1 769 . 20 1 1 A 63 63 GLU C C 63 177.485 178.840 -1.355 1
1 770 . 20 1 1 A 63 63 GLU CA C 63 57.954 59.199 -1.245 1
1 771 . 20 1 1 A 63 63 GLU CB C 63 29.783 29.704 0.079 1
1 773 . 20 1 1 A 63 63 GLU N N 63 119.622 119.140 0.482 1
1 774 . 20 1 1 A 64 64 LYS H H 64 7.874 8.195 -0.321 1
1 775 . 20 1 1 A 64 64 LYS HA H 64 4.213 4.093 0.120 1
1 784 . 20 1 1 A 64 64 LYS C C 64 177.341 176.708 0.633 1
1 785 . 20 1 1 A 64 64 LYS CA C 64 57.479 59.144 -1.665 1
1 786 . 20 1 1 A 64 64 LYS CB C 64 32.684 31.988 0.696 1
1 790 . 20 1 1 A 64 64 LYS N N 64 119.617 118.385 1.232 1
1 791 . 20 1 1 A 65 65 GLU H H 65 8.044 7.792 0.252 1
1 792 . 20 1 1 A 65 65 GLU HA H 65 4.236 4.291 -0.055 1
1 797 . 20 1 1 A 65 65 GLU C C 65 177.451 175.989 1.462 1
1 798 . 20 1 1 A 65 65 GLU CA C 65 57.426 56.373 1.053 1
1 799 . 20 1 1 A 65 65 GLU CB C 65 29.971 30.358 -0.387 1
1 801 . 20 1 1 A 65 65 GLU N N 65 120.606 120.438 0.168 1
1 802 . 20 1 1 A 66 66 VAL H H 66 8.028 8.532 -0.504 1
1 803 . 20 1 1 A 66 66 VAL HA H 66 4.035 4.019 0.016 1
1 811 . 20 1 1 A 66 66 VAL C C 66 176.848 176.084 0.764 1
1 812 . 20 1 1 A 66 66 VAL CA C 66 63.160 64.416 -1.256 1
1 813 . 20 1 1 A 66 66 VAL CB C 66 32.396 32.441 -0.045 1
1 816 . 20 1 1 A 66 66 VAL N N 66 119.834 127.133 -7.299 1
1 817 . 20 1 1 A 67 67 GLN H H 67 8.265 7.671 0.594 1
1 818 . 20 1 1 A 67 67 GLN HA H 67 4.313 4.407 -0.094 1
1 825 . 20 1 1 A 67 67 GLN C C 67 176.073 174.578 1.495 1
1 826 . 20 1 1 A 67 67 GLN CA C 67 56.283 55.548 0.735 1
1 827 . 20 1 1 A 67 67 GLN CB C 67 29.216 27.743 1.473 1
1 829 . 20 1 1 A 67 67 GLN N N 67 122.698 118.009 4.689 1
1 831 . 20 1 1 A 68 68 ASN H H 68 8.391 8.372 0.019 1
1 832 . 20 1 1 A 68 68 ASN HA H 68 4.782 5.502 -0.720 1
1 837 . 20 1 1 A 68 68 ASN C C 68 175.242 174.266 0.976 1
1 838 . 20 1 1 A 68 68 ASN CA C 68 53.487 51.281 2.206 1
1 839 . 20 1 1 A 68 68 ASN CB C 68 39.138 42.258 -3.120 1
1 840 . 20 1 1 A 68 68 ASN N N 68 119.609 121.229 -1.620 1
1 842 . 20 1 1 A 69 69 SER H H 69 8.272 8.911 -0.639 1
1 843 . 20 1 1 A 69 69 SER HA H 69 4.501 5.135 -0.634 1
1 846 . 20 1 1 A 69 69 SER C C 69 174.630 173.663 0.967 1
1 847 . 20 1 1 A 69 69 SER CA C 69 58.587 57.080 1.507 1
1 848 . 20 1 1 A 69 69 SER CB C 69 64.174 63.571 0.603 1
1 849 . 20 1 1 A 69 69 SER N N 69 116.106 116.450 -0.344 1
1 850 . 20 1 1 A 70 70 GLY H H 70 8.251 8.111 0.140 1
1 851 . 20 1 1 A 70 70 GLY HA2 H 70 4.175 4.150 0.025 1
1 852 . 20 1 1 A 70 70 GLY HA3 H 70 4.144 4.151 -0.007 1
1 853 . 20 1 1 A 70 70 GLY C C 70 171.843 171.500 0.343 1
1 854 . 20 1 1 A 70 70 GLY CA C 70 44.709 45.641 -0.932 1
1 855 . 20 1 1 A 70 70 GLY N N 70 110.658 111.427 -0.769 1
1 856 . 20 1 1 A 71 71 PRO HA H 71 4.501 4.645 -0.144 1
1 863 . 20 1 1 A 71 71 PRO C C 71 177.457 176.074 1.383 1
1 864 . 20 1 1 A 71 71 PRO CA C 71 63.300 62.758 0.542 1
1 865 . 20 1 1 A 71 71 PRO CB C 71 32.008 31.795 0.213 1
1 868 . 20 1 1 A 72 72 SER H H 72 8.536 8.622 -0.086 1
1 869 . 20 1 1 A 72 72 SER CA C 72 58.429 58.113 0.316 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 60 0.987 1
2 1 1 1 "RMS(OBS, PRED)" CA 67 1.209 1
3 1 1 1 "RMS(OBS, PRED)" CB 62 1.165 1
4 1 1 1 "RMS(OBS, PRED)" H 61 0.481 1
5 1 1 1 "RMS(OBS, PRED)" HA 70 0.298 1
6 1 1 1 "RMS(OBS, PRED)" N 59 2.268 1
7 1 2 1 "RMS(OBS, PRED)" C 60 0.891 1
8 1 2 1 "RMS(OBS, PRED)" CA 67 1.200 1
9 1 2 1 "RMS(OBS, PRED)" CB 62 1.201 1
10 1 2 1 "RMS(OBS, PRED)" H 61 0.468 1
11 1 2 1 "RMS(OBS, PRED)" HA 70 0.248 1
12 1 2 1 "RMS(OBS, PRED)" N 59 2.663 1
13 1 3 1 "RMS(OBS, PRED)" C 60 1.039 1
14 1 3 1 "RMS(OBS, PRED)" CA 67 1.251 1
15 1 3 1 "RMS(OBS, PRED)" CB 62 1.588 1
16 1 3 1 "RMS(OBS, PRED)" H 61 0.509 1
17 1 3 1 "RMS(OBS, PRED)" HA 70 0.310 1
18 1 3 1 "RMS(OBS, PRED)" N 59 2.716 1
19 1 4 1 "RMS(OBS, PRED)" C 60 1.016 1
20 1 4 1 "RMS(OBS, PRED)" CA 67 1.205 1
21 1 4 1 "RMS(OBS, PRED)" CB 62 1.399 1
22 1 4 1 "RMS(OBS, PRED)" H 61 0.559 1
23 1 4 1 "RMS(OBS, PRED)" HA 70 0.275 1
24 1 4 1 "RMS(OBS, PRED)" N 59 2.935 1
25 1 5 1 "RMS(OBS, PRED)" C 60 0.984 1
26 1 5 1 "RMS(OBS, PRED)" CA 67 1.254 1
27 1 5 1 "RMS(OBS, PRED)" CB 62 1.324 1
28 1 5 1 "RMS(OBS, PRED)" H 61 0.496 1
29 1 5 1 "RMS(OBS, PRED)" HA 70 0.282 1
30 1 5 1 "RMS(OBS, PRED)" N 59 2.841 1
31 1 6 1 "RMS(OBS, PRED)" C 60 1.044 1
32 1 6 1 "RMS(OBS, PRED)" CA 67 1.061 1
33 1 6 1 "RMS(OBS, PRED)" CB 62 1.179 1
34 1 6 1 "RMS(OBS, PRED)" H 61 0.481 1
35 1 6 1 "RMS(OBS, PRED)" HA 70 0.238 1
36 1 6 1 "RMS(OBS, PRED)" N 59 2.634 1
37 1 7 1 "RMS(OBS, PRED)" C 60 0.966 1
38 1 7 1 "RMS(OBS, PRED)" CA 67 1.204 1
39 1 7 1 "RMS(OBS, PRED)" CB 62 1.469 1
40 1 7 1 "RMS(OBS, PRED)" H 61 0.491 1
41 1 7 1 "RMS(OBS, PRED)" HA 70 0.289 1
42 1 7 1 "RMS(OBS, PRED)" N 59 2.944 1
43 1 8 1 "RMS(OBS, PRED)" C 60 1.064 1
44 1 8 1 "RMS(OBS, PRED)" CA 67 1.334 1
45 1 8 1 "RMS(OBS, PRED)" CB 62 1.420 1
46 1 8 1 "RMS(OBS, PRED)" H 61 0.496 1
47 1 8 1 "RMS(OBS, PRED)" HA 70 0.293 1
48 1 8 1 "RMS(OBS, PRED)" N 59 2.921 1
49 1 9 1 "RMS(OBS, PRED)" C 60 0.982 1
50 1 9 1 "RMS(OBS, PRED)" CA 67 1.142 1
51 1 9 1 "RMS(OBS, PRED)" CB 62 1.215 1
52 1 9 1 "RMS(OBS, PRED)" H 61 0.446 1
53 1 9 1 "RMS(OBS, PRED)" HA 70 0.260 1
54 1 9 1 "RMS(OBS, PRED)" N 59 2.491 1
55 1 10 1 "RMS(OBS, PRED)" C 60 1.018 1
56 1 10 1 "RMS(OBS, PRED)" CA 67 1.211 1
57 1 10 1 "RMS(OBS, PRED)" CB 62 1.571 1
58 1 10 1 "RMS(OBS, PRED)" H 61 0.517 1
59 1 10 1 "RMS(OBS, PRED)" HA 70 0.276 1
60 1 10 1 "RMS(OBS, PRED)" N 59 2.581 1
61 1 11 1 "RMS(OBS, PRED)" C 60 1.073 1
62 1 11 1 "RMS(OBS, PRED)" CA 67 1.315 1
63 1 11 1 "RMS(OBS, PRED)" CB 62 1.240 1
64 1 11 1 "RMS(OBS, PRED)" H 61 0.463 1
65 1 11 1 "RMS(OBS, PRED)" HA 70 0.295 1
66 1 11 1 "RMS(OBS, PRED)" N 59 2.881 1
67 1 12 1 "RMS(OBS, PRED)" C 60 1.052 1
68 1 12 1 "RMS(OBS, PRED)" CA 67 1.208 1
69 1 12 1 "RMS(OBS, PRED)" CB 62 1.297 1
70 1 12 1 "RMS(OBS, PRED)" H 61 0.516 1
71 1 12 1 "RMS(OBS, PRED)" HA 70 0.311 1
72 1 12 1 "RMS(OBS, PRED)" N 59 3.148 1
73 1 13 1 "RMS(OBS, PRED)" C 60 1.129 1
74 1 13 1 "RMS(OBS, PRED)" CA 67 1.234 1
75 1 13 1 "RMS(OBS, PRED)" CB 62 1.255 1
76 1 13 1 "RMS(OBS, PRED)" H 61 0.491 1
77 1 13 1 "RMS(OBS, PRED)" HA 70 0.249 1
78 1 13 1 "RMS(OBS, PRED)" N 59 2.786 1
79 1 14 1 "RMS(OBS, PRED)" C 60 1.146 1
80 1 14 1 "RMS(OBS, PRED)" CA 67 1.483 1
81 1 14 1 "RMS(OBS, PRED)" CB 62 1.602 1
82 1 14 1 "RMS(OBS, PRED)" H 61 0.593 1
83 1 14 1 "RMS(OBS, PRED)" HA 70 0.323 1
84 1 14 1 "RMS(OBS, PRED)" N 59 2.783 1
85 1 15 1 "RMS(OBS, PRED)" C 60 1.032 1
86 1 15 1 "RMS(OBS, PRED)" CA 67 1.307 1
87 1 15 1 "RMS(OBS, PRED)" CB 62 1.258 1
88 1 15 1 "RMS(OBS, PRED)" H 61 0.557 1
89 1 15 1 "RMS(OBS, PRED)" HA 70 0.270 1
90 1 15 1 "RMS(OBS, PRED)" N 59 3.122 1
91 1 16 1 "RMS(OBS, PRED)" C 60 0.983 1
92 1 16 1 "RMS(OBS, PRED)" CA 67 1.044 1
93 1 16 1 "RMS(OBS, PRED)" CB 62 1.205 1
94 1 16 1 "RMS(OBS, PRED)" H 61 0.446 1
95 1 16 1 "RMS(OBS, PRED)" HA 70 0.241 1
96 1 16 1 "RMS(OBS, PRED)" N 59 2.461 1
97 1 17 1 "RMS(OBS, PRED)" C 60 0.982 1
98 1 17 1 "RMS(OBS, PRED)" CA 67 1.107 1
99 1 17 1 "RMS(OBS, PRED)" CB 62 1.148 1
100 1 17 1 "RMS(OBS, PRED)" H 61 0.462 1
101 1 17 1 "RMS(OBS, PRED)" HA 70 0.247 1
102 1 17 1 "RMS(OBS, PRED)" N 59 2.651 1
103 1 18 1 "RMS(OBS, PRED)" C 60 1.059 1
104 1 18 1 "RMS(OBS, PRED)" CA 67 1.266 1
105 1 18 1 "RMS(OBS, PRED)" CB 62 1.436 1
106 1 18 1 "RMS(OBS, PRED)" H 61 0.495 1
107 1 18 1 "RMS(OBS, PRED)" HA 70 0.276 1
108 1 18 1 "RMS(OBS, PRED)" N 59 2.803 1
109 1 19 1 "RMS(OBS, PRED)" C 60 0.974 1
110 1 19 1 "RMS(OBS, PRED)" CA 67 1.200 1
111 1 19 1 "RMS(OBS, PRED)" CB 62 1.142 1
112 1 19 1 "RMS(OBS, PRED)" H 61 0.478 1
113 1 19 1 "RMS(OBS, PRED)" HA 70 0.298 1
114 1 19 1 "RMS(OBS, PRED)" N 59 2.776 1
115 1 20 1 "RMS(OBS, PRED)" C 60 0.996 1
116 1 20 1 "RMS(OBS, PRED)" CA 67 1.082 1
117 1 20 1 "RMS(OBS, PRED)" CB 62 1.353 1
118 1 20 1 "RMS(OBS, PRED)" H 61 0.512 1
119 1 20 1 "RMS(OBS, PRED)" HA 70 0.245 1
120 1 20 1 "RMS(OBS, PRED)" N 59 2.727 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 6 6 SER HA H 6 4.501 4.727 -0.226 2
1 4 . 1 1 A 6 6 SER C C 6 175.089 174.389 0.700 2
1 5 . 1 1 A 6 6 SER CA C 6 58.675 58.640 0.035 2
1 6 . 1 1 A 6 6 SER CB C 6 63.909 64.288 -0.379 2
1 7 . 1 1 A 7 7 GLY H H 7 8.374 8.266 0.108 2
1 8 . 1 1 A 7 7 GLY HA2 H 7 3.966 4.112 -0.146 2
1 9 . 1 1 A 7 7 GLY HA3 H 7 3.966 4.126 -0.160 2
1 10 . 1 1 A 7 7 GLY C C 7 174.147 173.688 0.459 2
1 11 . 1 1 A 7 7 GLY CA C 7 45.359 45.415 -0.056 2
1 12 . 1 1 A 7 7 GLY N N 7 110.638 110.518 0.120 2
1 13 . 1 1 A 8 8 GLU H H 8 8.255 8.376 -0.121 2
1 14 . 1 1 A 8 8 GLU HA H 8 4.273 4.554 -0.281 2
1 19 . 1 1 A 8 8 GLU C C 8 176.471 175.853 0.618 2
1 20 . 1 1 A 8 8 GLU CA C 8 56.582 56.469 0.113 2
1 21 . 1 1 A 8 8 GLU CB C 8 30.299 31.185 -0.886 2
1 23 . 1 1 A 8 8 GLU N N 8 120.542 120.418 0.124 2
1 24 . 1 1 A 9 9 GLN H H 9 8.397 8.149 0.248 2
1 25 . 1 1 A 9 9 GLN HA H 9 4.332 4.543 -0.211 2
1 32 . 1 1 A 9 9 GLN C C 9 175.365 175.268 0.097 2
1 33 . 1 1 A 9 9 GLN CA C 9 55.668 55.235 0.433 2
1 34 . 1 1 A 9 9 GLN CB C 9 29.560 30.022 -0.462 2
1 36 . 1 1 A 9 9 GLN N N 9 121.410 120.090 1.320 2
1 38 . 1 1 A 10 10 VAL H H 10 8.104 8.512 -0.408 2
1 39 . 1 1 A 10 10 VAL HA H 10 4.054 4.180 -0.126 2
1 47 . 1 1 A 10 10 VAL C C 10 175.736 175.196 0.540 2
1 48 . 1 1 A 10 10 VAL CA C 10 62.334 62.103 0.231 2
1 49 . 1 1 A 10 10 VAL CB C 10 33.136 32.548 0.588 2
1 52 . 1 1 A 10 10 VAL N N 10 121.590 123.440 -1.850 2
1 53 . 1 1 A 11 11 PHE H H 11 8.491 8.655 -0.164 2
1 54 . 1 1 A 11 11 PHE HA H 11 4.696 4.939 -0.243 2
1 62 . 1 1 A 11 11 PHE C C 11 174.477 175.031 -0.554 2
1 63 . 1 1 A 11 11 PHE CA C 11 57.444 56.990 0.454 2
1 64 . 1 1 A 11 11 PHE CB C 11 39.467 40.522 -1.055 2
1 70 . 1 1 A 11 11 PHE N N 11 125.302 124.269 1.033 2
1 71 . 1 1 A 12 12 ALA H H 12 9.203 9.044 0.159 2
1 72 . 1 1 A 12 12 ALA HA H 12 4.866 5.026 -0.160 2
1 76 . 1 1 A 12 12 ALA C C 12 176.813 176.397 0.416 2
1 77 . 1 1 A 12 12 ALA CA C 12 51.252 51.301 -0.049 2
1 78 . 1 1 A 12 12 ALA CB C 12 20.719 20.383 0.336 2
1 79 . 1 1 A 12 12 ALA N N 12 127.219 124.780 2.439 2
1 80 . 1 1 A 13 13 ALA H H 13 8.891 8.894 -0.003 2
1 81 . 1 1 A 13 13 ALA HA H 13 3.874 3.994 -0.120 2
1 85 . 1 1 A 13 13 ALA C C 13 176.194 177.293 -1.099 2
1 86 . 1 1 A 13 13 ALA CA C 13 53.380 51.959 1.421 2
1 87 . 1 1 A 13 13 ALA CB C 13 19.448 18.493 0.955 2
1 88 . 1 1 A 13 13 ALA N N 13 126.618 126.860 -0.242 2
1 89 . 1 1 A 14 14 GLU H H 14 9.604 8.947 0.657 2
1 90 . 1 1 A 14 14 GLU HA H 14 4.336 4.092 0.244 2
1 95 . 1 1 A 14 14 GLU C C 14 176.093 175.945 0.148 2
1 96 . 1 1 A 14 14 GLU CA C 14 57.356 59.159 -1.803 2
1 97 . 1 1 A 14 14 GLU CB C 14 32.273 30.510 1.763 2
1 99 . 1 1 A 14 14 GLU N N 14 123.285 124.878 -1.593 2
1 100 . 1 1 A 15 15 CYS H H 15 7.655 7.458 0.197 2
1 101 . 1 1 A 15 15 CYS HA H 15 4.527 4.567 -0.040 2
1 104 . 1 1 A 15 15 CYS C C 15 171.003 172.745 -1.742 2
1 105 . 1 1 A 15 15 CYS CA C 15 56.674 58.268 -1.594 2
1 106 . 1 1 A 15 15 CYS CB C 15 29.765 30.761 -0.996 2
1 107 . 1 1 A 15 15 CYS N N 15 110.806 116.241 -5.435 2
1 108 . 1 1 A 16 16 ILE H H 16 8.316 8.657 -0.341 2
1 109 . 1 1 A 16 16 ILE HA H 16 4.344 3.940 0.404 2
1 119 . 1 1 A 16 16 ILE C C 16 175.432 175.474 -0.042 2
1 120 . 1 1 A 16 16 ILE CA C 16 60.047 61.602 -1.555 2
1 121 . 1 1 A 16 16 ILE CB C 16 39.308 37.417 1.891 2
1 125 . 1 1 A 16 16 ILE N N 16 121.665 124.897 -3.232 2
1 126 . 1 1 A 17 17 LEU H H 17 9.207 9.100 0.107 2
1 127 . 1 1 A 17 17 LEU HA H 17 4.425 4.392 0.033 2
1 137 . 1 1 A 17 17 LEU C C 17 177.573 176.396 1.177 2
1 138 . 1 1 A 17 17 LEU CA C 17 55.825 55.862 -0.037 2
1 139 . 1 1 A 17 17 LEU CB C 17 44.400 42.504 1.896 2
1 143 . 1 1 A 17 17 LEU N N 17 124.728 129.440 -4.712 2
1 144 . 1 1 A 18 18 SER H H 18 7.082 7.364 -0.282 2
1 145 . 1 1 A 18 18 SER HA H 18 4.778 4.847 -0.069 2
1 148 . 1 1 A 18 18 SER C C 18 171.685 172.316 -0.631 2
1 149 . 1 1 A 18 18 SER CA C 18 57.075 56.731 0.344 2
1 150 . 1 1 A 18 18 SER CB C 18 64.550 65.363 -0.813 2
1 151 . 1 1 A 18 18 SER N N 18 110.441 109.656 0.785 2
1 152 . 1 1 A 19 19 LYS H H 19 8.745 9.165 -0.420 2
1 153 . 1 1 A 19 19 LYS HA H 19 5.836 5.650 0.186 2
1 162 . 1 1 A 19 19 LYS C C 19 174.068 174.705 -0.637 2
1 163 . 1 1 A 19 19 LYS CA C 19 54.770 54.533 0.237 2
1 164 . 1 1 A 19 19 LYS CB C 19 37.493 37.067 0.426 2
1 168 . 1 1 A 19 19 LYS N N 19 120.354 119.633 0.721 2
1 169 . 1 1 A 20 20 ARG H H 20 9.264 9.002 0.262 2
1 170 . 1 1 A 20 20 ARG HA H 20 4.703 5.109 -0.406 2
1 178 . 1 1 A 20 20 ARG C C 20 171.618 173.889 -2.271 2
1 179 . 1 1 A 20 20 ARG CA C 20 54.471 54.505 -0.034 2
1 180 . 1 1 A 20 20 ARG CB C 20 32.578 34.063 -1.485 2
1 183 . 1 1 A 20 20 ARG N N 20 119.809 119.331 0.478 2
1 185 . 1 1 A 21 21 LEU H H 21 8.286 8.639 -0.353 2
1 186 . 1 1 A 21 21 LEU HA H 21 4.927 5.148 -0.221 2
1 196 . 1 1 A 21 21 LEU C C 21 176.880 175.438 1.442 2
1 197 . 1 1 A 21 21 LEU CA C 21 53.433 53.909 -0.476 2
1 198 . 1 1 A 21 21 LEU CB C 21 43.905 45.383 -1.478 2
1 202 . 1 1 A 21 21 LEU N N 21 121.552 122.350 -0.798 2
1 203 . 1 1 A 22 22 ARG H H 22 9.146 8.647 0.499 2
1 204 . 1 1 A 22 22 ARG HA H 22 4.434 4.455 -0.021 2
1 211 . 1 1 A 22 22 ARG C C 22 175.379 175.680 -0.301 2
1 212 . 1 1 A 22 22 ARG CA C 22 55.468 56.339 -0.871 2
1 213 . 1 1 A 22 22 ARG CB C 22 33.049 32.237 0.812 2
1 216 . 1 1 A 22 22 ARG N N 22 126.472 126.386 0.086 2
1 217 . 1 1 A 23 23 LYS H H 23 9.505 8.501 1.004 2
1 218 . 1 1 A 23 23 LYS HA H 23 3.839 4.212 -0.373 2
1 227 . 1 1 A 23 23 LYS C C 23 176.521 176.556 -0.035 2
1 228 . 1 1 A 23 23 LYS CA C 23 57.127 56.196 0.931 2
1 229 . 1 1 A 23 23 LYS CB C 23 29.988 32.112 -2.124 2
1 233 . 1 1 A 24 24 GLY H H 24 8.438 8.450 -0.012 2
1 234 . 1 1 A 24 24 GLY HA2 H 24 4.124 3.919 0.205 2
1 235 . 1 1 A 24 24 GLY HA3 H 24 3.517 3.922 -0.405 2
1 236 . 1 1 A 24 24 GLY C C 24 173.338 173.868 -0.530 2
1 237 . 1 1 A 24 24 GLY CA C 24 45.481 46.053 -0.572 2
1 238 . 1 1 A 24 24 GLY N N 24 103.048 108.977 -5.929 2
1 239 . 1 1 A 25 25 LYS H H 25 7.785 7.816 -0.031 2
1 240 . 1 1 A 25 25 LYS HA H 25 4.635 4.762 -0.127 2
1 249 . 1 1 A 25 25 LYS C C 25 174.733 174.536 0.197 2
1 250 . 1 1 A 25 25 LYS CA C 25 54.365 54.537 -0.172 2
1 251 . 1 1 A 25 25 LYS CB C 25 34.616 35.107 -0.491 2
1 255 . 1 1 A 25 25 LYS N N 25 121.463 118.598 2.865 2
1 256 . 1 1 A 26 26 LEU H H 26 8.555 8.695 -0.140 2
1 257 . 1 1 A 26 26 LEU HA H 26 4.763 4.949 -0.186 2
1 267 . 1 1 A 26 26 LEU C C 26 176.596 174.683 1.913 2
1 268 . 1 1 A 26 26 LEU CA C 26 54.999 53.821 1.178 2
1 269 . 1 1 A 26 26 LEU CB C 26 43.167 43.966 -0.799 2
1 273 . 1 1 A 26 26 LEU N N 26 124.731 125.616 -0.885 2
1 274 . 1 1 A 27 27 GLU H H 27 8.944 9.182 -0.238 2
1 275 . 1 1 A 27 27 GLU HA H 27 4.923 4.980 -0.057 2
1 280 . 1 1 A 27 27 GLU C C 27 174.422 174.994 -0.572 2
1 281 . 1 1 A 27 27 GLU CA C 27 53.874 54.739 -0.865 2
1 282 . 1 1 A 27 27 GLU CB C 27 35.191 32.841 2.350 2
1 284 . 1 1 A 27 27 GLU N N 27 122.189 126.181 -3.992 2
1 285 . 1 1 A 28 28 TYR H H 28 9.423 9.494 -0.071 2
1 286 . 1 1 A 28 28 TYR HA H 28 5.265 5.016 0.248 2
1 293 . 1 1 A 28 28 TYR C C 28 174.020 174.658 -0.638 2
1 294 . 1 1 A 28 28 TYR CA C 28 56.511 56.565 -0.054 2
1 295 . 1 1 A 28 28 TYR CB C 28 41.646 40.895 0.751 2
1 300 . 1 1 A 28 28 TYR N N 28 118.361 122.397 -4.037 2
1 301 . 1 1 A 29 29 LEU H H 29 7.779 8.521 -0.741 2
1 302 . 1 1 A 29 29 LEU HA H 29 3.634 3.412 0.222 2
1 312 . 1 1 A 29 29 LEU C C 29 173.992 174.500 -0.508 2
1 313 . 1 1 A 29 29 LEU CA C 29 53.680 53.938 -0.258 2
1 314 . 1 1 A 29 29 LEU CB C 29 40.115 41.277 -1.162 2
1 318 . 1 1 A 29 29 LEU N N 29 127.541 126.182 1.359 2
1 319 . 1 1 A 30 30 VAL H H 30 8.936 8.013 0.923 2
1 320 . 1 1 A 30 30 VAL HA H 30 3.915 3.860 0.055 2
1 328 . 1 1 A 30 30 VAL C C 30 173.840 174.459 -0.619 2
1 329 . 1 1 A 30 30 VAL CA C 30 62.106 61.877 0.230 2
1 330 . 1 1 A 30 30 VAL CB C 30 34.458 31.886 2.572 2
1 333 . 1 1 A 30 30 VAL N N 30 130.095 127.551 2.544 2
1 334 . 1 1 A 31 31 LYS H H 31 7.596 7.940 -0.344 2
1 335 . 1 1 A 31 31 LYS HA H 31 4.525 4.598 -0.073 2
1 344 . 1 1 A 31 31 LYS C C 31 175.379 174.486 0.893 2
1 345 . 1 1 A 31 31 LYS CA C 31 53.574 54.428 -0.854 2
1 346 . 1 1 A 31 31 LYS CB C 31 34.848 34.276 0.572 2
1 350 . 1 1 A 31 31 LYS N N 31 123.992 126.314 -2.322 2
1 351 . 1 1 A 32 32 TRP H H 32 9.368 8.559 0.809 2
1 352 . 1 1 A 32 32 TRP HA H 32 4.816 5.204 -0.388 2
1 361 . 1 1 A 32 32 TRP C C 32 176.830 176.533 0.297 2
1 362 . 1 1 A 32 32 TRP CA C 32 56.002 56.651 -0.649 2
1 363 . 1 1 A 32 32 TRP CB C 32 31.163 30.928 0.235 2
1 369 . 1 1 A 32 32 TRP N N 32 131.754 127.729 4.025 2
1 371 . 1 1 A 33 33 ARG H H 33 9.455 8.944 0.511 2
1 372 . 1 1 A 33 33 ARG HA H 33 4.345 4.057 0.288 2
1 379 . 1 1 A 33 33 ARG C C 33 178.092 177.939 0.153 2
1 380 . 1 1 A 33 33 ARG CA C 33 57.590 58.366 -0.776 2
1 381 . 1 1 A 33 33 ARG CB C 33 30.400 30.412 -0.012 2
1 384 . 1 1 A 33 33 ARG N N 33 124.374 124.673 -0.299 2
1 385 . 1 1 A 34 34 GLY H H 34 9.319 8.670 0.649 2
1 386 . 1 1 A 34 34 GLY HA2 H 34 3.642 3.713 -0.071 2
1 387 . 1 1 A 34 34 GLY HA3 H 34 3.976 3.807 0.169 2
1 388 . 1 1 A 34 34 GLY CA C 34 45.636 46.127 -0.491 2
1 389 . 1 1 A 34 34 GLY N N 34 114.254 109.740 4.514 2
1 390 . 1 1 A 35 35 TRP H H 35 7.725 7.933 -0.208 2
1 391 . 1 1 A 35 35 TRP HA H 35 4.785 4.876 -0.091 2
1 400 . 1 1 A 35 35 TRP CA C 35 55.641 57.021 -1.380 2
1 401 . 1 1 A 35 35 TRP CB C 35 31.352 30.938 0.414 2
1 407 . 1 1 A 35 35 TRP N N 35 120.008 121.063 -1.055 2
1 409 . 1 1 A 36 36 SER H H 36 8.785 8.874 -0.089 2
1 410 . 1 1 A 36 36 SER HA H 36 4.587 4.612 -0.025 2
1 413 . 1 1 A 36 36 SER CA C 36 58.364 58.376 -0.012 2
1 414 . 1 1 A 36 36 SER CB C 36 64.741 64.287 0.454 2
1 415 . 1 1 A 36 36 SER N N 36 117.243 118.622 -1.379 2
1 416 . 1 1 A 37 37 SER HA H 37 4.491 4.335 0.156 2
1 419 . 1 1 A 37 37 SER CA C 37 60.248 60.593 -0.345 2
1 420 . 1 1 A 37 37 SER CB C 37 63.340 62.646 0.694 2
1 421 . 1 1 A 38 38 LYS HA H 38 4.155 4.294 -0.139 2
1 430 . 1 1 A 38 38 LYS CA C 38 58.001 58.137 -0.136 2
1 431 . 1 1 A 38 38 LYS CB C 38 32.378 33.450 -1.073 2
1 435 . 1 1 A 39 39 HIS H H 39 8.245 8.092 0.153 2
1 436 . 1 1 A 39 39 HIS HA H 39 4.460 4.621 -0.161 2
1 441 . 1 1 A 39 39 HIS CA C 39 56.031 55.917 0.114 2
1 442 . 1 1 A 39 39 HIS CB C 39 30.068 28.570 1.498 2
1 445 . 1 1 A 39 39 HIS N N 39 117.908 115.916 1.992 2
1 446 . 1 1 A 40 40 ASN H H 40 7.746 8.071 -0.325 2
1 447 . 1 1 A 40 40 ASN HA H 40 5.176 5.111 0.065 2
1 452 . 1 1 A 40 40 ASN C C 40 176.114 174.678 1.436 2
1 453 . 1 1 A 40 40 ASN CA C 40 54.102 52.996 1.106 2
1 454 . 1 1 A 40 40 ASN CB C 40 37.123 39.994 -2.871 2
1 455 . 1 1 A 40 40 ASN N N 40 121.018 119.041 1.977 2
1 457 . 1 1 A 41 41 SER H H 41 8.492 8.479 0.013 2
1 458 . 1 1 A 41 41 SER HA H 41 4.866 5.300 -0.434 2
1 461 . 1 1 A 41 41 SER C C 41 172.479 172.906 -0.427 2
1 462 . 1 1 A 41 41 SER CA C 41 57.145 56.831 0.314 2
1 463 . 1 1 A 41 41 SER CB C 41 66.057 66.195 -0.138 2
1 464 . 1 1 A 41 41 SER N N 41 115.675 114.929 0.746 2
1 465 . 1 1 A 42 42 TRP H H 42 8.604 9.068 -0.464 2
1 466 . 1 1 A 42 42 TRP HA H 42 4.980 5.248 -0.268 2
1 475 . 1 1 A 42 42 TRP C C 42 177.025 175.841 1.184 2
1 476 . 1 1 A 42 42 TRP CA C 42 56.477 56.112 0.365 2
1 477 . 1 1 A 42 42 TRP CB C 42 29.625 30.203 -0.578 2
1 483 . 1 1 A 42 42 TRP N N 42 123.109 125.121 -2.012 2
1 485 . 1 1 A 43 43 GLU H H 43 9.916 8.677 1.239 2
1 486 . 1 1 A 43 43 GLU HA H 43 5.225 4.894 0.331 2
1 491 . 1 1 A 43 43 GLU C C 43 174.192 174.121 0.071 2
1 492 . 1 1 A 43 43 GLU CA C 43 52.230 53.161 -0.932 2
1 493 . 1 1 A 43 43 GLU CB C 43 32.537 30.832 1.705 2
1 495 . 1 1 A 43 43 GLU N N 43 125.182 124.619 0.563 2
1 496 . 1 1 A 44 44 PRO HA H 44 4.934 4.915 0.019 2
1 503 . 1 1 A 44 44 PRO C C 44 177.782 177.763 0.019 2
1 504 . 1 1 A 44 44 PRO CA C 44 62.525 62.593 -0.068 2
1 505 . 1 1 A 44 44 PRO CB C 44 32.730 32.705 0.025 2
1 508 . 1 1 A 45 45 GLU H H 45 8.637 9.092 -0.455 2
1 509 . 1 1 A 45 45 GLU HA H 45 3.965 4.151 -0.186 2
1 514 . 1 1 A 45 45 GLU C C 45 177.990 178.559 -0.569 2
1 515 . 1 1 A 45 45 GLU CA C 45 60.293 59.717 0.576 2
1 516 . 1 1 A 45 45 GLU CB C 45 30.235 29.699 0.536 2
1 518 . 1 1 A 45 45 GLU N N 45 120.441 123.396 -2.955 2
1 519 . 1 1 A 46 46 GLU H H 46 9.698 8.739 0.959 2
1 520 . 1 1 A 46 46 GLU HA H 46 4.243 4.117 0.126 2
1 525 . 1 1 A 46 46 GLU C C 46 176.547 178.120 -1.573 2
1 526 . 1 1 A 46 46 GLU CA C 46 58.693 58.815 -0.121 2
1 527 . 1 1 A 46 46 GLU CB C 46 28.448 28.212 0.236 2
1 529 . 1 1 A 46 46 GLU N N 46 117.193 117.226 -0.033 2
1 530 . 1 1 A 47 47 ASN H H 47 8.119 8.178 -0.059 2
1 531 . 1 1 A 47 47 ASN HA H 47 4.922 4.728 0.194 2
1 536 . 1 1 A 47 47 ASN C C 47 175.293 176.060 -0.767 2
1 537 . 1 1 A 47 47 ASN CA C 47 52.430 54.833 -2.403 2
1 538 . 1 1 A 47 47 ASN CB C 47 38.439 39.149 -0.710 2
1 539 . 1 1 A 47 47 ASN N N 47 118.023 116.435 1.588 2
1 541 . 1 1 A 48 48 ILE H H 48 7.695 7.418 0.277 2
1 542 . 1 1 A 48 48 ILE HA H 48 4.075 4.203 -0.128 2
1 552 . 1 1 A 48 48 ILE C C 48 175.029 175.573 -0.544 2
1 553 . 1 1 A 48 48 ILE CA C 48 59.749 61.762 -2.013 2
1 554 . 1 1 A 48 48 ILE CB C 48 35.109 37.037 -1.928 2
1 558 . 1 1 A 48 48 ILE N N 48 121.906 119.983 1.923 2
1 559 . 1 1 A 49 49 LEU H H 49 8.137 8.480 -0.343 2
1 560 . 1 1 A 49 49 LEU HA H 49 4.286 4.337 -0.051 2
1 570 . 1 1 A 49 49 LEU C C 49 176.808 177.082 -0.274 2
1 571 . 1 1 A 49 49 LEU CA C 49 55.748 56.717 -0.969 2
1 572 . 1 1 A 49 49 LEU CB C 49 42.088 42.915 -0.827 2
1 576 . 1 1 A 49 49 LEU N N 49 125.062 129.424 -4.362 2
1 577 . 1 1 A 50 50 ASP H H 50 7.284 7.840 -0.556 2
1 578 . 1 1 A 50 50 ASP HA H 50 5.077 4.820 0.257 2
1 581 . 1 1 A 50 50 ASP C C 50 174.968 175.958 -0.990 2
1 582 . 1 1 A 50 50 ASP CA C 50 50.443 51.990 -1.547 2
1 583 . 1 1 A 50 50 ASP CB C 50 41.822 40.811 1.011 2
1 584 . 1 1 A 50 50 ASP N N 50 118.019 118.440 -0.421 2
1 585 . 1 1 A 51 51 PRO HA H 51 4.258 4.274 -0.016 2
1 592 . 1 1 A 51 51 PRO C C 51 179.037 178.830 0.207 2
1 593 . 1 1 A 51 51 PRO CA C 51 64.372 64.897 -0.526 2
1 594 . 1 1 A 51 51 PRO CB C 51 32.382 32.073 0.309 2
1 597 . 1 1 A 52 52 ARG H H 52 8.253 8.448 -0.195 2
1 598 . 1 1 A 52 52 ARG HA H 52 3.995 4.049 -0.054 2
1 605 . 1 1 A 52 52 ARG C C 52 179.774 178.815 0.959 2
1 606 . 1 1 A 52 52 ARG CA C 52 59.255 59.218 0.037 2
1 607 . 1 1 A 52 52 ARG CB C 52 29.608 29.973 -0.365 2
1 610 . 1 1 A 52 52 ARG N N 52 117.657 118.561 -0.904 2
1 611 . 1 1 A 53 53 LEU H H 53 7.576 7.932 -0.356 2
1 612 . 1 1 A 53 53 LEU HA H 53 4.043 3.921 0.122 2
1 622 . 1 1 A 53 53 LEU C C 53 180.197 178.978 1.219 2
1 623 . 1 1 A 53 53 LEU CA C 53 57.620 57.747 -0.127 2
1 624 . 1 1 A 53 53 LEU CB C 53 42.080 41.789 0.291 2
1 628 . 1 1 A 53 53 LEU N N 53 118.887 120.208 -1.321 2
1 629 . 1 1 A 54 54 LEU H H 54 7.185 8.096 -0.911 2
1 630 . 1 1 A 54 54 LEU HA H 54 3.966 3.684 0.282 2
1 640 . 1 1 A 54 54 LEU C C 54 178.631 179.116 -0.485 2
1 641 . 1 1 A 54 54 LEU CA C 54 57.549 57.971 -0.422 2
1 642 . 1 1 A 54 54 LEU CB C 54 41.646 41.748 -0.102 2
1 646 . 1 1 A 54 54 LEU N N 54 119.814 117.589 2.225 2
1 647 . 1 1 A 55 55 LEU H H 55 7.791 8.363 -0.572 2
1 648 . 1 1 A 55 55 LEU HA H 55 4.132 3.870 0.262 2
1 658 . 1 1 A 55 55 LEU C C 55 179.501 178.724 0.777 2
1 659 . 1 1 A 55 55 LEU CA C 55 58.007 58.200 -0.193 2
1 660 . 1 1 A 55 55 LEU CB C 55 41.523 41.531 -0.008 2
1 664 . 1 1 A 55 55 LEU N N 55 120.290 118.278 2.012 2
1 665 . 1 1 A 56 56 ALA H H 56 7.771 8.281 -0.510 2
1 666 . 1 1 A 56 56 ALA HA H 56 4.145 4.082 0.063 2
1 670 . 1 1 A 56 56 ALA C C 56 180.157 180.135 0.022 2
1 671 . 1 1 A 56 56 ALA CA C 56 54.963 55.171 -0.208 2
1 672 . 1 1 A 56 56 ALA CB C 56 18.232 18.576 -0.344 2
1 673 . 1 1 A 56 56 ALA N N 56 119.874 120.238 -0.364 2
1 674 . 1 1 A 57 57 PHE H H 57 7.526 7.590 -0.064 2
1 675 . 1 1 A 57 57 PHE HA H 57 4.451 4.138 0.313 2
1 683 . 1 1 A 57 57 PHE C C 57 176.838 177.458 -0.620 2
1 684 . 1 1 A 57 57 PHE CA C 57 60.822 61.401 -0.579 2
1 685 . 1 1 A 57 57 PHE CB C 57 39.878 39.210 0.668 2
1 691 . 1 1 A 57 57 PHE N N 57 119.210 119.280 -0.070 2
1 692 . 1 1 A 58 58 GLN H H 58 8.415 8.610 -0.195 2
1 693 . 1 1 A 58 58 GLN HA H 58 3.874 3.992 -0.118 2
1 700 . 1 1 A 58 58 GLN C C 58 178.639 178.467 0.172 2
1 701 . 1 1 A 58 58 GLN CA C 58 58.499 59.210 -0.711 2
1 702 . 1 1 A 58 58 GLN CB C 58 28.325 28.309 0.016 2
1 704 . 1 1 A 58 58 GLN N N 58 118.702 117.590 1.112 2
1 706 . 1 1 A 59 59 LYS H H 59 7.918 7.864 0.054 2
1 707 . 1 1 A 59 59 LYS HA H 59 4.121 4.054 0.067 2
1 716 . 1 1 A 59 59 LYS C C 59 178.269 179.275 -1.006 2
1 717 . 1 1 A 59 59 LYS CA C 59 58.921 59.421 -0.500 2
1 718 . 1 1 A 59 59 LYS CB C 59 32.437 32.229 0.208 2
1 722 . 1 1 A 59 59 LYS N N 59 119.131 120.195 -1.064 2
1 723 . 1 1 A 60 60 LYS H H 60 7.595 7.699 -0.104 2
1 724 . 1 1 A 60 60 LYS HA H 60 4.133 4.048 0.085 2
1 733 . 1 1 A 60 60 LYS C C 60 178.836 179.483 -0.647 2
1 734 . 1 1 A 60 60 LYS CA C 60 58.323 59.790 -1.467 2
1 735 . 1 1 A 60 60 LYS CB C 60 32.150 32.078 0.072 2
1 739 . 1 1 A 60 60 LYS N N 60 120.016 119.148 0.868 2
1 740 . 1 1 A 61 61 GLU H H 61 8.095 8.206 -0.111 2
1 741 . 1 1 A 61 61 GLU HA H 61 3.936 3.781 0.155 2
1 746 . 1 1 A 61 61 GLU C C 61 178.233 178.909 -0.676 2
1 747 . 1 1 A 61 61 GLU CA C 61 58.605 59.355 -0.750 2
1 748 . 1 1 A 61 61 GLU CB C 61 29.806 29.313 0.493 2
1 750 . 1 1 A 61 61 GLU N N 61 119.560 119.665 -0.105 2
1 751 . 1 1 A 62 62 HIS H H 62 8.037 7.982 0.055 2
1 752 . 1 1 A 62 62 HIS HA H 62 4.517 4.128 0.389 2
1 757 . 1 1 A 62 62 HIS C C 62 176.449 176.838 -0.389 2
1 758 . 1 1 A 62 62 HIS CA C 62 57.740 59.887 -2.147 2
1 759 . 1 1 A 62 62 HIS CB C 62 29.928 29.763 0.165 2
1 762 . 1 1 A 62 62 HIS N N 62 118.437 119.770 -1.333 2
1 763 . 1 1 A 63 63 GLU H H 63 8.010 8.390 -0.380 2
1 764 . 1 1 A 63 63 GLU HA H 63 4.096 3.968 0.128 2
1 769 . 1 1 A 63 63 GLU C C 63 177.485 179.173 -1.688 2
1 770 . 1 1 A 63 63 GLU CA C 63 57.954 59.669 -1.715 2
1 771 . 1 1 A 63 63 GLU CB C 63 29.783 29.417 0.366 2
1 773 . 1 1 A 63 63 GLU N N 63 119.622 117.808 1.814 2
1 774 . 1 1 A 64 64 LYS H H 64 7.874 7.780 0.094 2
1 775 . 1 1 A 64 64 LYS HA H 64 4.213 4.097 0.116 2
1 784 . 1 1 A 64 64 LYS C C 64 177.341 177.271 0.070 2
1 785 . 1 1 A 64 64 LYS CA C 64 57.479 59.338 -1.859 2
1 786 . 1 1 A 64 64 LYS CB C 64 32.684 32.346 0.338 2
1 790 . 1 1 A 64 64 LYS N N 64 119.617 119.533 0.084 2
1 791 . 1 1 A 65 65 GLU H H 65 8.044 7.850 0.194 2
1 792 . 1 1 A 65 65 GLU HA H 65 4.236 4.380 -0.144 2
1 797 . 1 1 A 65 65 GLU C C 65 177.451 175.862 1.589 2
1 798 . 1 1 A 65 65 GLU CA C 65 57.426 56.225 1.201 2
1 799 . 1 1 A 65 65 GLU CB C 65 29.971 30.908 -0.937 2
1 801 . 1 1 A 65 65 GLU N N 65 120.606 118.389 2.217 2
1 802 . 1 1 A 66 66 VAL H H 66 8.028 8.590 -0.562 2
1 803 . 1 1 A 66 66 VAL HA H 66 4.035 4.460 -0.425 2
1 811 . 1 1 A 66 66 VAL C C 66 176.848 174.904 1.944 2
1 812 . 1 1 A 66 66 VAL CA C 66 63.160 61.662 1.498 2
1 813 . 1 1 A 66 66 VAL CB C 66 32.396 33.494 -1.098 2
1 816 . 1 1 A 66 66 VAL N N 66 119.834 121.892 -2.058 2
1 817 . 1 1 A 67 67 GLN H H 67 8.265 8.193 0.072 2
1 818 . 1 1 A 67 67 GLN HA H 67 4.313 4.616 -0.303 2
1 825 . 1 1 A 67 67 GLN C C 67 176.073 174.944 1.129 2
1 826 . 1 1 A 67 67 GLN CA C 67 56.283 55.050 1.233 2
1 827 . 1 1 A 67 67 GLN CB C 67 29.216 30.719 -1.503 2
1 829 . 1 1 A 67 67 GLN N N 67 122.698 123.443 -0.745 2
1 831 . 1 1 A 68 68 ASN H H 68 8.391 8.717 -0.326 2
1 832 . 1 1 A 68 68 ASN HA H 68 4.782 4.796 -0.014 2
1 837 . 1 1 A 68 68 ASN C C 68 175.242 174.894 0.348 2
1 838 . 1 1 A 68 68 ASN CA C 68 53.487 53.246 0.241 2
1 839 . 1 1 A 68 68 ASN CB C 68 39.138 39.114 0.024 2
1 840 . 1 1 A 68 68 ASN N N 68 119.609 122.807 -3.198 2
1 842 . 1 1 A 69 69 SER H H 69 8.272 8.489 -0.217 2
1 843 . 1 1 A 69 69 SER HA H 69 4.501 4.753 -0.253 2
1 846 . 1 1 A 69 69 SER C C 69 174.630 174.343 0.287 2
1 847 . 1 1 A 69 69 SER CA C 69 58.587 58.508 0.079 2
1 848 . 1 1 A 69 69 SER CB C 69 64.174 64.520 -0.346 2
1 849 . 1 1 A 69 69 SER N N 69 116.106 117.112 -1.006 2
1 850 . 1 1 A 70 70 GLY H H 70 8.251 8.280 -0.029 2
1 851 . 1 1 A 70 70 GLY HA2 H 70 4.175 4.127 0.048 2
1 852 . 1 1 A 70 70 GLY HA3 H 70 4.144 4.132 0.012 2
1 853 . 1 1 A 70 70 GLY C C 70 171.843 173.151 -1.308 2
1 854 . 1 1 A 70 70 GLY CA C 70 44.709 44.987 -0.278 2
1 855 . 1 1 A 70 70 GLY N N 70 110.658 110.049 0.609 2
1 856 . 1 1 A 71 71 PRO HA H 71 4.501 4.633 -0.132 2
1 863 . 1 1 A 71 71 PRO C C 71 177.457 176.156 1.301 2
1 864 . 1 1 A 71 71 PRO CA C 71 63.300 62.857 0.443 2
1 865 . 1 1 A 71 71 PRO CB C 71 32.008 31.766 0.242 2
1 868 . 1 1 A 72 72 SER H H 72 8.536 8.382 0.154 2
1 869 . 1 1 A 72 72 SER CA C 72 58.429 57.930 0.499 2
stop_
save_