data_10257_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10257
_Entry.PDB_ID 2DJR
_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 7 7 GLY HA2 H 7 4.246 4.162 0.084 1
1 2 . 1 1 1 A 7 7 GLY HA3 H 7 4.111 4.208 -0.097 1
1 3 . 1 1 1 A 7 7 GLY CA C 7 46.145 45.429 0.716 1
1 4 . 1 1 1 A 8 8 SER HA H 8 4.472 4.867 -0.395 1
1 7 . 1 1 1 A 8 8 SER C C 8 175.844 174.690 1.154 1
1 8 . 1 1 1 A 8 8 SER CA C 8 60.307 58.809 1.498 1
1 9 . 1 1 1 A 8 8 SER CB C 8 63.621 63.414 0.207 1
1 10 . 1 1 1 A 9 9 GLU H H 9 9.766 8.319 1.447 1
1 11 . 1 1 1 A 9 9 GLU HA H 9 4.354 4.168 0.186 1
1 16 . 1 1 1 A 9 9 GLU C C 9 177.495 178.659 -1.164 1
1 17 . 1 1 1 A 9 9 GLU CA C 9 58.823 59.411 -0.588 1
1 18 . 1 1 1 A 9 9 GLU CB C 9 29.080 29.308 -0.228 1
1 20 . 1 1 1 A 9 9 GLU N N 9 124.626 122.737 1.889 1
1 21 . 1 1 1 A 10 10 ALA H H 10 7.788 7.943 -0.155 1
1 22 . 1 1 1 A 10 10 ALA HA H 10 3.387 3.747 -0.360 1
1 26 . 1 1 1 A 10 10 ALA C C 10 179.145 179.386 -0.241 1
1 27 . 1 1 1 A 10 10 ALA CA C 10 54.588 54.468 0.120 1
1 28 . 1 1 1 A 10 10 ALA CB C 10 17.451 17.003 0.448 1
1 29 . 1 1 1 A 10 10 ALA N N 10 120.412 120.928 -0.516 1
1 30 . 1 1 1 A 11 11 TRP H H 11 7.481 8.113 -0.632 1
1 31 . 1 1 1 A 11 11 TRP HA H 11 4.440 4.605 -0.165 1
1 40 . 1 1 1 A 11 11 TRP C C 11 177.373 179.032 -1.659 1
1 41 . 1 1 1 A 11 11 TRP CA C 11 59.460 59.768 -0.308 1
1 42 . 1 1 1 A 11 11 TRP CB C 11 29.033 29.226 -0.193 1
1 48 . 1 1 1 A 11 11 TRP N N 11 113.286 118.096 -4.810 1
1 50 . 1 1 1 A 12 12 GLU H H 12 7.771 8.931 -1.160 1
1 51 . 1 1 1 A 12 12 GLU HA H 12 4.100 4.105 -0.005 1
1 56 . 1 1 1 A 12 12 GLU C C 12 177.543 176.969 0.574 1
1 57 . 1 1 1 A 12 12 GLU CA C 12 58.195 59.085 -0.890 1
1 58 . 1 1 1 A 12 12 GLU CB C 12 29.265 29.307 -0.042 1
1 60 . 1 1 1 A 12 12 GLU N N 12 117.805 119.356 -1.551 1
1 61 . 1 1 1 A 13 13 TYR H H 13 7.748 8.289 -0.541 1
1 62 . 1 1 1 A 13 13 TYR HA H 13 4.181 4.574 -0.393 1
1 69 . 1 1 1 A 13 13 TYR C C 13 172.809 174.912 -2.103 1
1 70 . 1 1 1 A 13 13 TYR CA C 13 58.524 57.802 0.722 1
1 71 . 1 1 1 A 13 13 TYR CB C 13 40.503 38.491 2.012 1
1 76 . 1 1 1 A 13 13 TYR N N 13 114.665 115.931 -1.266 1
1 77 . 1 1 1 A 14 14 PHE H H 14 7.590 8.092 -0.502 1
1 78 . 1 1 1 A 14 14 PHE HA H 14 5.336 5.563 -0.227 1
1 86 . 1 1 1 A 14 14 PHE C C 14 174.508 174.763 -0.255 1
1 87 . 1 1 1 A 14 14 PHE CA C 14 56.895 56.649 0.246 1
1 88 . 1 1 1 A 14 14 PHE CB C 14 45.117 43.350 1.767 1
1 94 . 1 1 1 A 14 14 PHE N N 14 115.479 118.764 -3.285 1
1 95 . 1 1 1 A 15 15 HIS H H 15 9.046 9.472 -0.426 1
1 96 . 1 1 1 A 15 15 HIS HA H 15 5.111 5.696 -0.585 1
1 101 . 1 1 1 A 15 15 HIS C C 15 175.455 173.180 2.275 1
1 102 . 1 1 1 A 15 15 HIS CA C 15 54.841 53.997 0.844 1
1 103 . 1 1 1 A 15 15 HIS CB C 15 33.210 33.049 0.161 1
1 106 . 1 1 1 A 15 15 HIS N N 15 118.065 117.941 0.124 1
1 107 . 1 1 1 A 16 16 LEU H H 16 8.899 8.997 -0.098 1
1 108 . 1 1 1 A 16 16 LEU HA H 16 4.624 4.410 0.214 1
1 118 . 1 1 1 A 16 16 LEU C C 16 176.256 177.637 -1.381 1
1 119 . 1 1 1 A 16 16 LEU CA C 16 54.947 54.867 0.080 1
1 120 . 1 1 1 A 16 16 LEU CB C 16 42.540 42.282 0.258 1
1 124 . 1 1 1 A 16 16 LEU N N 16 125.895 124.080 1.815 1
1 125 . 1 1 1 A 17 17 ALA H H 17 8.412 8.673 -0.261 1
1 126 . 1 1 1 A 17 17 ALA HA H 17 4.574 4.878 -0.304 1
1 130 . 1 1 1 A 17 17 ALA C C 17 175.188 175.629 -0.441 1
1 131 . 1 1 1 A 17 17 ALA CA C 17 50.400 50.504 -0.104 1
1 132 . 1 1 1 A 17 17 ALA CB C 17 18.205 19.066 -0.861 1
1 133 . 1 1 1 A 17 17 ALA N N 17 128.151 127.382 0.769 1
1 134 . 1 1 1 A 18 18 PRO HA H 18 4.373 4.565 -0.192 1
1 141 . 1 1 1 A 18 18 PRO C C 18 176.621 177.408 -0.787 1
1 142 . 1 1 1 A 18 18 PRO CA C 18 62.911 63.029 -0.118 1
1 143 . 1 1 1 A 18 18 PRO CB C 18 32.105 32.690 -0.585 1
1 146 . 1 1 1 A 19 19 ALA H H 19 8.434 8.665 -0.231 1
1 147 . 1 1 1 A 19 19 ALA HA H 19 4.300 4.007 0.293 1
1 151 . 1 1 1 A 19 19 ALA C C 19 177.834 178.091 -0.257 1
1 152 . 1 1 1 A 19 19 ALA CA C 19 52.515 55.391 -2.876 1
1 153 . 1 1 1 A 19 19 ALA CB C 19 19.359 18.279 1.080 1
1 154 . 1 1 1 A 19 19 ALA N N 19 125.267 126.250 -0.983 1
1 155 . 1 1 1 A 20 20 ARG H H 20 8.450 8.127 0.323 1
1 156 . 1 1 1 A 20 20 ARG HA H 20 4.366 4.016 0.350 1
1 163 . 1 1 1 A 20 20 ARG C C 20 175.795 174.826 0.969 1
1 164 . 1 1 1 A 20 20 ARG CA C 20 55.405 56.990 -1.585 1
1 165 . 1 1 1 A 20 20 ARG CB C 20 31.685 28.040 3.645 1
1 168 . 1 1 1 A 20 20 ARG N N 20 121.353 116.470 4.883 1
1 169 . 1 1 1 A 21 21 ALA HA H 21 4.229 4.462 -0.233 1
1 173 . 1 1 1 A 21 21 ALA CA C 21 53.263 51.370 1.893 1
1 174 . 1 1 1 A 21 21 ALA CB C 21 18.577 21.252 -2.675 1
1 175 . 1 1 1 A 22 22 GLY C C 22 175.407 174.911 0.496 1
1 176 . 1 1 1 A 23 23 HIS HA H 23 4.768 4.555 0.213 1
1 181 . 1 1 1 A 23 23 HIS C C 23 178.611 174.949 3.662 1
1 182 . 1 1 1 A 23 23 HIS CA C 23 55.004 57.037 -2.033 1
1 183 . 1 1 1 A 23 23 HIS CB C 23 30.750 30.593 0.157 1
1 186 . 1 1 1 A 24 24 HIS HA H 24 4.673 4.697 -0.024 1
1 191 . 1 1 1 A 24 24 HIS C C 24 179.801 174.738 5.063 1
1 192 . 1 1 1 A 24 24 HIS CA C 24 55.610 54.809 0.801 1
1 193 . 1 1 1 A 24 24 HIS CB C 24 31.802 29.835 1.967 1
1 196 . 1 1 1 A 25 25 PRO HA H 25 4.429 4.216 0.213 1
1 203 . 1 1 1 A 25 25 PRO C C 25 176.888 176.955 -0.067 1
1 204 . 1 1 1 A 25 25 PRO CA C 25 63.902 62.882 1.020 1
1 205 . 1 1 1 A 25 25 PRO CB C 25 32.124 32.670 -0.546 1
1 208 . 1 1 1 A 26 26 ASN H H 26 9.047 8.965 0.082 1
1 209 . 1 1 1 A 26 26 ASN HA H 26 4.788 4.453 0.335 1
1 214 . 1 1 1 A 26 26 ASN C C 26 175.140 176.123 -0.983 1
1 215 . 1 1 1 A 26 26 ASN CA C 26 53.185 54.178 -0.993 1
1 216 . 1 1 1 A 26 26 ASN CB C 26 38.696 37.837 0.859 1
1 217 . 1 1 1 A 26 26 ASN N N 26 118.042 119.385 -1.343 1
1 219 . 1 1 1 A 27 27 GLN H H 27 8.231 8.288 -0.057 1
1 220 . 1 1 1 A 27 27 GLN HA H 27 4.226 4.212 0.014 1
1 227 . 1 1 1 A 27 27 GLN C C 27 175.212 175.421 -0.209 1
1 228 . 1 1 1 A 27 27 GLN CA C 27 57.149 56.475 0.674 1
1 229 . 1 1 1 A 27 27 GLN CB C 27 29.741 29.967 -0.226 1
1 231 . 1 1 1 A 27 27 GLN N N 27 119.679 118.069 1.610 1
1 233 . 1 1 1 A 28 28 TYR H H 28 8.059 7.750 0.309 1
1 234 . 1 1 1 A 28 28 TYR HA H 28 5.109 5.210 -0.101 1
1 241 . 1 1 1 A 28 28 TYR C C 28 174.290 174.411 -0.121 1
1 242 . 1 1 1 A 28 28 TYR CA C 28 56.779 56.425 0.354 1
1 243 . 1 1 1 A 28 28 TYR CB C 28 41.333 42.344 -1.011 1
1 248 . 1 1 1 A 28 28 TYR N N 28 116.269 117.872 -1.603 1
1 249 . 1 1 1 A 29 29 ALA H H 29 8.837 9.049 -0.212 1
1 250 . 1 1 1 A 29 29 ALA HA H 29 5.054 5.332 -0.278 1
1 254 . 1 1 1 A 29 29 ALA C C 29 175.795 175.592 0.203 1
1 255 . 1 1 1 A 29 29 ALA CA C 29 50.612 50.477 0.135 1
1 256 . 1 1 1 A 29 29 ALA CB C 29 23.046 22.005 1.041 1
1 257 . 1 1 1 A 29 29 ALA N N 29 123.222 122.527 0.695 1
1 258 . 1 1 1 A 30 30 THR H H 30 9.217 8.902 0.315 1
1 259 . 1 1 1 A 30 30 THR HA H 30 4.828 4.642 0.186 1
1 264 . 1 1 1 A 30 30 THR C C 30 173.659 173.797 -0.138 1
1 265 . 1 1 1 A 30 30 THR CA C 30 62.383 62.020 0.363 1
1 266 . 1 1 1 A 30 30 THR CB C 30 70.058 69.168 0.890 1
1 268 . 1 1 1 A 30 30 THR N N 30 119.265 118.313 0.952 1
1 269 . 1 1 1 A 31 31 CYS H H 31 8.927 8.785 0.142 1
1 270 . 1 1 1 A 31 31 CYS HA H 31 3.606 3.996 -0.390 1
1 273 . 1 1 1 A 31 31 CYS C C 31 177.956 175.602 2.354 1
1 274 . 1 1 1 A 31 31 CYS CA C 31 59.743 59.605 0.138 1
1 275 . 1 1 1 A 31 31 CYS CB C 31 29.971 28.614 1.357 1
1 276 . 1 1 1 A 31 31 CYS N N 31 130.893 126.315 4.578 1
1 277 . 1 1 1 A 32 32 ARG H H 32 9.393 9.130 0.263 1
1 278 . 1 1 1 A 32 32 ARG HA H 32 4.043 4.242 -0.199 1
1 285 . 1 1 1 A 32 32 ARG C C 32 176.693 177.023 -0.330 1
1 286 . 1 1 1 A 32 32 ARG CA C 32 58.471 57.923 0.548 1
1 287 . 1 1 1 A 32 32 ARG CB C 32 30.553 30.103 0.450 1
1 290 . 1 1 1 A 32 32 ARG N N 32 130.594 127.738 2.856 1
1 291 . 1 1 1 A 33 33 LEU H H 33 9.135 7.540 1.595 1
1 292 . 1 1 1 A 33 33 LEU HA H 33 4.243 4.092 0.151 1
1 302 . 1 1 1 A 33 33 LEU C C 33 178.150 178.417 -0.267 1
1 303 . 1 1 1 A 33 33 LEU CA C 33 56.709 57.185 -0.476 1
1 304 . 1 1 1 A 33 33 LEU CB C 33 41.387 42.611 -1.224 1
1 308 . 1 1 1 A 33 33 LEU N N 33 121.037 117.832 3.205 1
1 309 . 1 1 1 A 34 34 CYS H H 34 8.186 8.003 0.183 1
1 310 . 1 1 1 A 34 34 CYS HA H 34 5.200 4.707 0.493 1
1 313 . 1 1 1 A 34 34 CYS C C 34 176.329 175.617 0.712 1
1 314 . 1 1 1 A 34 34 CYS CA C 34 58.365 59.542 -1.177 1
1 315 . 1 1 1 A 34 34 CYS CB C 34 32.799 30.053 2.746 1
1 316 . 1 1 1 A 34 34 CYS N N 34 115.308 113.147 2.161 1
1 317 . 1 1 1 A 35 35 GLY H H 35 8.027 8.357 -0.330 1
1 318 . 1 1 1 A 35 35 GLY HA2 H 35 3.808 3.988 -0.180 1
1 319 . 1 1 1 A 35 35 GLY HA3 H 35 4.196 4.004 0.192 1
1 320 . 1 1 1 A 35 35 GLY C C 35 173.683 173.998 -0.315 1
1 321 . 1 1 1 A 35 35 GLY CA C 35 46.313 45.400 0.913 1
1 322 . 1 1 1 A 35 35 GLY N N 35 113.546 110.279 3.267 1
1 323 . 1 1 1 A 36 36 ARG H H 36 8.272 7.253 1.019 1
1 324 . 1 1 1 A 36 36 ARG HA H 36 4.273 4.623 -0.350 1
1 331 . 1 1 1 A 36 36 ARG C C 36 175.625 175.978 -0.353 1
1 332 . 1 1 1 A 36 36 ARG CA C 36 56.774 54.652 2.122 1
1 333 . 1 1 1 A 36 36 ARG CB C 36 31.112 31.918 -0.806 1
1 336 . 1 1 1 A 36 36 ARG N N 36 121.138 119.333 1.805 1
1 337 . 1 1 1 A 37 37 GLN H H 37 8.509 8.533 -0.024 1
1 338 . 1 1 1 A 37 37 GLN HA H 37 4.888 5.041 -0.153 1
1 345 . 1 1 1 A 37 37 GLN C C 37 176.184 175.377 0.807 1
1 346 . 1 1 1 A 37 37 GLN CA C 37 55.475 55.920 -0.445 1
1 347 . 1 1 1 A 37 37 GLN CB C 37 29.426 29.290 0.136 1
1 349 . 1 1 1 A 37 37 GLN N N 37 120.322 121.380 -1.058 1
1 351 . 1 1 1 A 38 38 VAL H H 38 9.281 9.146 0.135 1
1 352 . 1 1 1 A 38 38 VAL HA H 38 4.216 4.355 -0.139 1
1 360 . 1 1 1 A 38 38 VAL C C 38 174.848 175.679 -0.831 1
1 361 . 1 1 1 A 38 38 VAL CA C 38 61.243 61.855 -0.612 1
1 362 . 1 1 1 A 38 38 VAL CB C 38 34.146 33.773 0.373 1
1 365 . 1 1 1 A 38 38 VAL N N 38 125.546 124.178 1.368 1
1 366 . 1 1 1 A 39 39 SER H H 39 8.590 8.829 -0.239 1
1 367 . 1 1 1 A 39 39 SER HA H 39 4.348 4.243 0.105 1
1 370 . 1 1 1 A 39 39 SER C C 39 174.800 173.448 1.352 1
1 371 . 1 1 1 A 39 39 SER CA C 39 57.731 57.567 0.164 1
1 372 . 1 1 1 A 39 39 SER CB C 39 64.121 64.409 -0.288 1
1 373 . 1 1 1 A 39 39 SER N N 39 120.236 122.884 -2.648 1
1 374 . 1 1 1 A 40 40 ARG H H 40 8.684 8.641 0.043 1
1 375 . 1 1 1 A 40 40 ARG HA H 40 4.189 4.444 -0.255 1
1 382 . 1 1 1 A 40 40 ARG C C 40 176.062 177.196 -1.134 1
1 383 . 1 1 1 A 40 40 ARG CA C 40 56.674 56.816 -0.142 1
1 384 . 1 1 1 A 40 40 ARG CB C 40 31.302 31.818 -0.516 1
1 387 . 1 1 1 A 40 40 ARG N N 40 123.390 120.423 2.967 1
1 388 . 1 1 1 A 41 41 GLY H H 41 7.970 7.863 0.107 1
1 389 . 1 1 1 A 41 41 GLY HA2 H 41 3.920 4.111 -0.191 1
1 390 . 1 1 1 A 41 41 GLY HA3 H 41 4.216 4.128 0.088 1
1 391 . 1 1 1 A 41 41 GLY C C 41 171.037 173.608 -2.571 1
1 392 . 1 1 1 A 41 41 GLY CA C 41 44.269 44.328 -0.059 1
1 393 . 1 1 1 A 41 41 GLY N N 41 107.997 105.576 2.421 1
1 394 . 1 1 1 A 42 42 PRO HA H 42 4.462 4.205 0.257 1
1 401 . 1 1 1 A 42 42 PRO C C 42 176.451 177.432 -0.981 1
1 402 . 1 1 1 A 42 42 PRO CA C 42 63.179 63.535 -0.356 1
1 403 . 1 1 1 A 42 42 PRO CB C 42 32.144 32.019 0.125 1
1 406 . 1 1 1 A 43 43 GLY H H 43 8.388 8.944 -0.556 1
1 407 . 1 1 1 A 43 43 GLY HA2 H 43 4.065 3.862 0.203 1
1 408 . 1 1 1 A 43 43 GLY HA3 H 43 3.808 3.866 -0.058 1
1 409 . 1 1 1 A 43 43 GLY CA C 43 45.278 46.965 -1.687 1
1 410 . 1 1 1 A 43 43 GLY N N 43 109.409 111.999 -2.590 1
1 411 . 1 1 1 A 44 44 VAL H H 44 7.913 8.115 -0.202 1
1 412 . 1 1 1 A 44 44 VAL HA H 44 4.107 4.207 -0.100 1
1 420 . 1 1 1 A 44 44 VAL CA C 44 62.352 63.772 -1.420 1
1 421 . 1 1 1 A 44 44 VAL CB C 44 32.777 34.205 -1.428 1
1 424 . 1 1 1 A 44 44 VAL N N 44 117.689 116.730 0.959 1
1 425 . 1 1 1 A 45 45 ASN HA H 45 4.713 4.977 -0.264 1
1 430 . 1 1 1 A 45 45 ASN CA C 45 53.201 52.655 0.546 1
1 431 . 1 1 1 A 45 45 ASN CB C 45 38.671 36.755 1.916 1
1 433 . 1 1 1 A 46 46 VAL H H 46 7.994 8.820 -0.826 1
1 434 . 1 1 1 A 46 46 VAL HA H 46 4.148 4.500 -0.352 1
1 439 . 1 1 1 A 46 46 VAL C C 46 177.834 176.472 1.362 1
1 440 . 1 1 1 A 46 46 VAL CA C 46 62.726 60.649 2.077 1
1 441 . 1 1 1 A 46 46 VAL CB C 46 32.476 31.540 0.936 1
1 443 . 1 1 1 A 46 46 VAL N N 46 118.432 117.901 0.531 1
1 444 . 1 1 1 A 47 47 GLY HA2 H 47 3.702 3.979 -0.277 1
1 445 . 1 1 1 A 47 47 GLY HA3 H 47 4.104 3.996 0.108 1
1 446 . 1 1 1 A 47 47 GLY C C 47 173.950 174.421 -0.471 1
1 447 . 1 1 1 A 47 47 GLY CA C 47 45.202 45.757 -0.555 1
1 448 . 1 1 1 A 48 48 THR H H 48 8.238 7.718 0.520 1
1 449 . 1 1 1 A 48 48 THR HA H 48 4.066 4.261 -0.195 1
1 454 . 1 1 1 A 48 48 THR C C 48 175.919 173.906 2.013 1
1 455 . 1 1 1 A 48 48 THR CA C 48 67.178 61.227 5.951 1
1 456 . 1 1 1 A 48 48 THR CB C 48 68.681 67.129 1.552 1
1 458 . 1 1 1 A 48 48 THR N N 48 118.267 115.742 2.525 1
1 459 . 1 1 1 A 49 49 THR HA H 49 3.981 4.136 -0.155 1
1 464 . 1 1 1 A 49 49 THR CA C 49 62.689 64.454 -1.765 1
1 465 . 1 1 1 A 49 49 THR CB C 49 69.410 69.484 -0.074 1
1 467 . 1 1 1 A 50 50 ALA HA H 50 4.091 3.915 0.176 1
1 471 . 1 1 1 A 50 50 ALA C C 50 180.456 179.521 0.935 1
1 472 . 1 1 1 A 50 50 ALA CA C 50 55.053 55.448 -0.395 1
1 473 . 1 1 1 A 50 50 ALA CB C 50 18.859 18.346 0.513 1
1 474 . 1 1 1 A 51 51 LEU H H 51 7.042 7.621 -0.579 1
1 475 . 1 1 1 A 51 51 LEU HA H 51 3.446 3.356 0.090 1
1 485 . 1 1 1 A 51 51 LEU C C 51 179.170 178.913 0.257 1
1 486 . 1 1 1 A 51 51 LEU CA C 51 57.395 57.434 -0.039 1
1 487 . 1 1 1 A 51 51 LEU CB C 51 39.050 41.368 -2.318 1
1 491 . 1 1 1 A 51 51 LEU N N 51 117.051 117.982 -0.931 1
1 492 . 1 1 1 A 52 52 TRP H H 52 7.992 8.061 -0.069 1
1 493 . 1 1 1 A 52 52 TRP HA H 52 4.412 4.295 0.117 1
1 502 . 1 1 1 A 52 52 TRP C C 52 178.636 178.978 -0.342 1
1 503 . 1 1 1 A 52 52 TRP CA C 52 60.762 60.371 0.391 1
1 504 . 1 1 1 A 52 52 TRP CB C 52 29.830 29.574 0.256 1
1 510 . 1 1 1 A 52 52 TRP N N 52 118.438 118.677 -0.239 1
1 512 . 1 1 1 A 53 53 LYS H H 53 8.239 8.262 -0.023 1
1 513 . 1 1 1 A 53 53 LYS HA H 53 4.077 4.002 0.075 1
1 522 . 1 1 1 A 53 53 LYS C C 53 179.777 178.985 0.792 1
1 523 . 1 1 1 A 53 53 LYS CA C 53 59.864 59.409 0.455 1
1 524 . 1 1 1 A 53 53 LYS CB C 53 32.077 32.398 -0.321 1
1 528 . 1 1 1 A 53 53 LYS N N 53 118.342 118.717 -0.375 1
1 529 . 1 1 1 A 54 54 HIS H H 54 7.592 8.216 -0.624 1
1 530 . 1 1 1 A 54 54 HIS HA H 54 4.351 4.348 0.003 1
1 535 . 1 1 1 A 54 54 HIS C C 54 176.499 177.144 -0.645 1
1 536 . 1 1 1 A 54 54 HIS CA C 54 60.409 59.076 1.333 1
1 537 . 1 1 1 A 54 54 HIS CB C 54 28.701 29.989 -1.288 1
1 540 . 1 1 1 A 54 54 HIS N N 54 117.948 120.171 -2.223 1
1 541 . 1 1 1 A 55 55 LEU H H 55 8.223 8.455 -0.232 1
1 542 . 1 1 1 A 55 55 LEU HA H 55 3.829 3.906 -0.077 1
1 552 . 1 1 1 A 55 55 LEU C C 55 178.587 178.977 -0.390 1
1 553 . 1 1 1 A 55 55 LEU CA C 55 58.492 58.022 0.470 1
1 554 . 1 1 1 A 55 55 LEU CB C 55 42.293 41.199 1.094 1
1 558 . 1 1 1 A 55 55 LEU N N 55 118.224 119.672 -1.448 1
1 559 . 1 1 1 A 56 56 LYS H H 56 8.795 8.470 0.325 1
1 560 . 1 1 1 A 56 56 LYS HA H 56 3.823 4.237 -0.414 1
1 569 . 1 1 1 A 56 56 LYS C C 56 177.664 178.777 -1.113 1
1 570 . 1 1 1 A 56 56 LYS CA C 56 58.999 57.916 1.083 1
1 571 . 1 1 1 A 56 56 LYS CB C 56 32.395 32.384 0.011 1
1 575 . 1 1 1 A 56 56 LYS N N 56 115.460 117.988 -2.528 1
1 576 . 1 1 1 A 57 57 SER H H 57 7.600 7.470 0.130 1
1 577 . 1 1 1 A 57 57 SER HA H 57 4.353 4.288 0.065 1
1 580 . 1 1 1 A 57 57 SER C C 57 176.451 175.682 0.769 1
1 581 . 1 1 1 A 57 57 SER CA C 57 60.480 61.167 -0.687 1
1 582 . 1 1 1 A 57 57 SER CB C 57 63.879 63.256 0.623 1
1 583 . 1 1 1 A 57 57 SER N N 57 110.773 114.911 -4.138 1
1 584 . 1 1 1 A 58 58 MET H H 58 7.685 7.571 0.114 1
1 585 . 1 1 1 A 58 58 MET HA H 58 4.555 4.523 0.032 1
1 593 . 1 1 1 A 58 58 MET C C 58 176.645 177.298 -0.653 1
1 594 . 1 1 1 A 58 58 MET CA C 58 55.158 55.568 -0.410 1
1 595 . 1 1 1 A 58 58 MET CB C 58 32.427 33.665 -1.238 1
1 598 . 1 1 1 A 58 58 MET N N 58 115.874 116.383 -0.509 1
1 599 . 1 1 1 A 59 59 HIS H H 59 7.685 7.760 -0.075 1
1 600 . 1 1 1 A 59 59 HIS HA H 59 5.357 4.633 0.724 1
1 605 . 1 1 1 A 59 59 HIS C C 59 175.140 175.625 -0.485 1
1 606 . 1 1 1 A 59 59 HIS CA C 59 53.114 55.662 -2.548 1
1 607 . 1 1 1 A 59 59 HIS CB C 59 29.080 29.233 -0.153 1
1 610 . 1 1 1 A 59 59 HIS N N 59 117.346 117.014 0.332 1
1 611 . 1 1 1 A 60 60 ARG H H 60 7.995 8.016 -0.021 1
1 612 . 1 1 1 A 60 60 ARG HA H 60 3.771 3.803 -0.032 1
1 619 . 1 1 1 A 60 60 ARG C C 60 178.684 178.613 0.071 1
1 620 . 1 1 1 A 60 60 ARG CA C 60 60.646 59.708 0.938 1
1 621 . 1 1 1 A 60 60 ARG CB C 60 29.959 29.975 -0.016 1
1 624 . 1 1 1 A 60 60 ARG N N 60 120.640 122.058 -1.418 1
1 625 . 1 1 1 A 61 61 GLU H H 61 8.929 8.286 0.643 1
1 626 . 1 1 1 A 61 61 GLU HA H 61 4.046 4.177 -0.131 1
1 631 . 1 1 1 A 61 61 GLU C C 61 179.024 179.354 -0.330 1
1 632 . 1 1 1 A 61 61 GLU CA C 61 59.775 58.275 1.500 1
1 633 . 1 1 1 A 61 61 GLU CB C 61 28.926 29.398 -0.472 1
1 635 . 1 1 1 A 61 61 GLU N N 61 117.239 118.396 -1.157 1
1 636 . 1 1 1 A 62 62 GLU H H 62 8.182 8.062 0.120 1
1 637 . 1 1 1 A 62 62 GLU HA H 62 4.078 4.026 0.052 1
1 642 . 1 1 1 A 62 62 GLU C C 62 179.242 179.131 0.111 1
1 643 . 1 1 1 A 62 62 GLU CA C 62 59.317 59.104 0.213 1
1 644 . 1 1 1 A 62 62 GLU CB C 62 28.864 29.605 -0.741 1
1 646 . 1 1 1 A 62 62 GLU N N 62 120.004 119.957 0.047 1
1 647 . 1 1 1 A 63 63 LEU H H 63 7.849 8.192 -0.343 1
1 648 . 1 1 1 A 63 63 LEU HA H 63 4.158 4.102 0.056 1
1 658 . 1 1 1 A 63 63 LEU C C 63 179.679 179.076 0.603 1
1 659 . 1 1 1 A 63 63 LEU CA C 63 57.449 57.867 -0.418 1
1 660 . 1 1 1 A 63 63 LEU CB C 63 41.552 41.679 -0.127 1
1 664 . 1 1 1 A 63 63 LEU N N 63 119.191 120.385 -1.194 1
1 665 . 1 1 1 A 64 64 GLU H H 64 8.097 8.047 0.050 1
1 666 . 1 1 1 A 64 64 GLU HA H 64 4.113 3.966 0.147 1
1 671 . 1 1 1 A 64 64 GLU C C 64 178.951 179.278 -0.327 1
1 672 . 1 1 1 A 64 64 GLU CA C 64 58.480 59.993 -1.513 1
1 673 . 1 1 1 A 64 64 GLU CB C 64 29.548 29.407 0.141 1
1 675 . 1 1 1 A 64 64 GLU N N 64 118.834 117.373 1.461 1
1 676 . 1 1 1 A 65 65 LYS H H 65 7.854 8.140 -0.286 1
1 677 . 1 1 1 A 65 65 LYS HA H 65 4.197 4.081 0.116 1
1 685 . 1 1 1 A 65 65 LYS C C 65 177.713 176.420 1.293 1
1 686 . 1 1 1 A 65 65 LYS CA C 65 58.154 59.334 -1.180 1
1 687 . 1 1 1 A 65 65 LYS CB C 65 32.614 32.398 0.216 1
1 691 . 1 1 1 A 65 65 LYS N N 65 119.350 121.881 -2.531 1
1 692 . 1 1 1 A 66 66 SER H H 66 7.816 8.000 -0.184 1
1 693 . 1 1 1 A 66 66 SER HA H 66 4.457 4.442 0.015 1
1 696 . 1 1 1 A 66 66 SER C C 66 174.751 174.515 0.236 1
1 697 . 1 1 1 A 66 66 SER CA C 66 58.864 57.694 1.170 1
1 698 . 1 1 1 A 66 66 SER CB C 66 64.180 64.757 -0.577 1
1 699 . 1 1 1 A 66 66 SER N N 66 113.693 112.373 1.320 1
1 700 . 1 1 1 A 67 67 GLY H H 67 7.959 8.373 -0.414 1
1 701 . 1 1 1 A 67 67 GLY HA2 H 67 4.036 3.665 0.371 1
1 702 . 1 1 1 A 67 67 GLY HA3 H 67 3.924 3.733 0.191 1
1 703 . 1 1 1 A 67 67 GLY C C 67 174.775 173.550 1.225 1
1 704 . 1 1 1 A 67 67 GLY CA C 67 45.678 46.814 -1.136 1
1 705 . 1 1 1 A 67 67 GLY N N 67 108.980 108.683 0.297 1
1 706 . 1 1 1 A 68 68 HIS H H 68 8.148 7.770 0.378 1
1 707 . 1 1 1 A 68 68 HIS HA H 68 4.861 5.042 -0.181 1
1 712 . 1 1 1 A 68 68 HIS C C 68 176.159 175.670 0.489 1
1 713 . 1 1 1 A 68 68 HIS CA C 68 56.004 53.840 2.164 1
1 714 . 1 1 1 A 68 68 HIS CB C 68 31.585 30.352 1.233 1
1 717 . 1 1 1 A 68 68 HIS N N 68 119.127 118.072 1.055 1
1 718 . 1 1 1 A 69 69 GLY H H 69 8.610 8.761 -0.151 1
1 719 . 1 1 1 A 69 69 GLY HA2 H 69 3.903 3.808 0.095 1
1 720 . 1 1 1 A 69 69 GLY HA3 H 69 3.903 3.818 0.085 1
1 721 . 1 1 1 A 69 69 GLY C C 69 174.290 174.640 -0.350 1
1 722 . 1 1 1 A 69 69 GLY CA C 69 45.890 46.931 -1.041 1
1 723 . 1 1 1 A 69 69 GLY N N 69 109.663 111.788 -2.125 1
1 724 . 1 1 1 A 70 70 GLN H H 70 8.325 7.748 0.577 1
1 725 . 1 1 1 A 70 70 GLN HA H 70 4.396 4.897 -0.501 1
1 732 . 1 1 1 A 70 70 GLN C C 70 176.208 174.819 1.389 1
1 733 . 1 1 1 A 70 70 GLN CA C 70 55.616 54.670 0.946 1
1 734 . 1 1 1 A 70 70 GLN CB C 70 29.441 31.367 -1.926 1
1 736 . 1 1 1 A 70 70 GLN N N 70 119.031 114.852 4.179 1
1 738 . 1 1 1 A 71 71 SER HA H 71 4.466 4.642 -0.176 1
1 741 . 1 1 1 A 71 71 SER C C 71 174.096 173.411 0.685 1
1 742 . 1 1 1 A 71 71 SER CA C 71 58.506 56.975 1.531 1
1 743 . 1 1 1 A 71 71 SER CB C 71 64.126 63.685 0.441 1
1 744 . 1 1 1 A 72 72 GLY H H 72 8.136 7.454 0.682 1
1 745 . 1 1 1 A 72 72 GLY HA2 H 72 3.776 4.187 -0.411 1
1 746 . 1 1 1 A 72 72 GLY HA3 H 72 3.703 4.193 -0.490 1
1 747 . 1 1 1 A 72 72 GLY C C 72 171.644 173.205 -1.561 1
1 748 . 1 1 1 A 72 72 GLY CA C 72 44.304 45.656 -1.352 1
1 749 . 1 1 1 A 72 72 GLY N N 72 110.082 109.379 0.703 1
1 750 . 1 1 1 A 73 73 PRO HA H 73 4.408 4.371 0.037 1
1 757 . 1 1 1 A 73 73 PRO C C 73 175.067 177.454 -2.387 1
1 758 . 1 1 1 A 73 73 PRO CA C 73 63.151 64.914 -1.763 1
1 759 . 1 1 1 A 73 73 PRO CB C 73 32.225 32.130 0.095 1
1 763 . 1 1 1 A 74 74 SER CA C 74 58.647 57.315 1.332 1
1 1 . 2 1 1 A 7 7 GLY HA2 H 7 4.246 3.724 0.522 1
1 2 . 2 1 1 A 7 7 GLY HA3 H 7 4.111 3.877 0.234 1
1 3 . 2 1 1 A 7 7 GLY CA C 7 46.145 47.180 -1.035 1
1 4 . 2 1 1 A 8 8 SER HA H 8 4.472 5.042 -0.570 1
1 7 . 2 1 1 A 8 8 SER C C 8 175.844 175.397 0.447 1
1 8 . 2 1 1 A 8 8 SER CA C 8 60.307 57.988 2.319 1
1 9 . 2 1 1 A 8 8 SER CB C 8 63.621 63.628 -0.007 1
1 10 . 2 1 1 A 9 9 GLU H H 9 9.766 8.788 0.978 1
1 11 . 2 1 1 A 9 9 GLU HA H 9 4.354 4.382 -0.028 1
1 16 . 2 1 1 A 9 9 GLU C C 9 177.495 178.707 -1.212 1
1 17 . 2 1 1 A 9 9 GLU CA C 9 58.823 57.691 1.132 1
1 18 . 2 1 1 A 9 9 GLU CB C 9 29.080 30.155 -1.075 1
1 20 . 2 1 1 A 9 9 GLU N N 9 124.626 121.338 3.288 1
1 21 . 2 1 1 A 10 10 ALA H H 10 7.788 8.214 -0.426 1
1 22 . 2 1 1 A 10 10 ALA HA H 10 3.387 3.740 -0.353 1
1 26 . 2 1 1 A 10 10 ALA C C 10 179.145 179.140 0.005 1
1 27 . 2 1 1 A 10 10 ALA CA C 10 54.588 53.725 0.863 1
1 28 . 2 1 1 A 10 10 ALA CB C 10 17.451 16.938 0.513 1
1 29 . 2 1 1 A 10 10 ALA N N 10 120.412 123.645 -3.233 1
1 30 . 2 1 1 A 11 11 TRP H H 11 7.481 7.785 -0.304 1
1 31 . 2 1 1 A 11 11 TRP HA H 11 4.440 4.483 -0.043 1
1 40 . 2 1 1 A 11 11 TRP C C 11 177.373 179.058 -1.685 1
1 41 . 2 1 1 A 11 11 TRP CA C 11 59.460 60.045 -0.585 1
1 42 . 2 1 1 A 11 11 TRP CB C 11 29.033 29.329 -0.296 1
1 48 . 2 1 1 A 11 11 TRP N N 11 113.286 117.699 -4.413 1
1 50 . 2 1 1 A 12 12 GLU H H 12 7.771 8.677 -0.906 1
1 51 . 2 1 1 A 12 12 GLU HA H 12 4.100 4.098 0.002 1
1 56 . 2 1 1 A 12 12 GLU C C 12 177.543 176.885 0.658 1
1 57 . 2 1 1 A 12 12 GLU CA C 12 58.195 58.979 -0.784 1
1 58 . 2 1 1 A 12 12 GLU CB C 12 29.265 29.238 0.027 1
1 60 . 2 1 1 A 12 12 GLU N N 12 117.805 119.431 -1.626 1
1 61 . 2 1 1 A 13 13 TYR H H 13 7.748 7.854 -0.106 1
1 62 . 2 1 1 A 13 13 TYR HA H 13 4.181 4.643 -0.462 1
1 69 . 2 1 1 A 13 13 TYR C C 13 172.809 174.859 -2.050 1
1 70 . 2 1 1 A 13 13 TYR CA C 13 58.524 57.700 0.824 1
1 71 . 2 1 1 A 13 13 TYR CB C 13 40.503 38.780 1.723 1
1 76 . 2 1 1 A 13 13 TYR N N 13 114.665 116.008 -1.343 1
1 77 . 2 1 1 A 14 14 PHE H H 14 7.590 8.084 -0.494 1
1 78 . 2 1 1 A 14 14 PHE HA H 14 5.336 5.568 -0.232 1
1 86 . 2 1 1 A 14 14 PHE C C 14 174.508 174.749 -0.241 1
1 87 . 2 1 1 A 14 14 PHE CA C 14 56.895 56.656 0.239 1
1 88 . 2 1 1 A 14 14 PHE CB C 14 45.117 43.380 1.737 1
1 94 . 2 1 1 A 14 14 PHE N N 14 115.479 118.764 -3.285 1
1 95 . 2 1 1 A 15 15 HIS H H 15 9.046 9.306 -0.260 1
1 96 . 2 1 1 A 15 15 HIS HA H 15 5.111 5.581 -0.470 1
1 101 . 2 1 1 A 15 15 HIS C C 15 175.455 173.320 2.135 1
1 102 . 2 1 1 A 15 15 HIS CA C 15 54.841 53.949 0.892 1
1 103 . 2 1 1 A 15 15 HIS CB C 15 33.210 32.893 0.317 1
1 106 . 2 1 1 A 15 15 HIS N N 15 118.065 117.811 0.254 1
1 107 . 2 1 1 A 16 16 LEU H H 16 8.899 8.970 -0.071 1
1 108 . 2 1 1 A 16 16 LEU HA H 16 4.624 4.188 0.436 1
1 118 . 2 1 1 A 16 16 LEU C C 16 176.256 177.304 -1.048 1
1 119 . 2 1 1 A 16 16 LEU CA C 16 54.947 55.074 -0.127 1
1 120 . 2 1 1 A 16 16 LEU CB C 16 42.540 42.313 0.227 1
1 124 . 2 1 1 A 16 16 LEU N N 16 125.895 124.791 1.104 1
1 125 . 2 1 1 A 17 17 ALA H H 17 8.412 8.707 -0.295 1
1 126 . 2 1 1 A 17 17 ALA HA H 17 4.574 5.003 -0.429 1
1 130 . 2 1 1 A 17 17 ALA C C 17 175.188 175.787 -0.599 1
1 131 . 2 1 1 A 17 17 ALA CA C 17 50.400 50.175 0.225 1
1 132 . 2 1 1 A 17 17 ALA CB C 17 18.205 19.885 -1.680 1
1 133 . 2 1 1 A 17 17 ALA N N 17 128.151 126.919 1.232 1
1 134 . 2 1 1 A 18 18 PRO HA H 18 4.373 4.488 -0.115 1
1 141 . 2 1 1 A 18 18 PRO C C 18 176.621 176.536 0.085 1
1 142 . 2 1 1 A 18 18 PRO CA C 18 62.911 62.559 0.352 1
1 143 . 2 1 1 A 18 18 PRO CB C 18 32.105 32.130 -0.025 1
1 146 . 2 1 1 A 19 19 ALA H H 19 8.434 8.465 -0.031 1
1 147 . 2 1 1 A 19 19 ALA HA H 19 4.300 4.175 0.125 1
1 151 . 2 1 1 A 19 19 ALA C C 19 177.834 177.720 0.114 1
1 152 . 2 1 1 A 19 19 ALA CA C 19 52.515 51.350 1.165 1
1 153 . 2 1 1 A 19 19 ALA CB C 19 19.359 17.659 1.700 1
1 154 . 2 1 1 A 19 19 ALA N N 19 125.267 125.910 -0.643 1
1 155 . 2 1 1 A 20 20 ARG H H 20 8.450 8.643 -0.193 1
1 156 . 2 1 1 A 20 20 ARG HA H 20 4.366 4.517 -0.151 1
1 163 . 2 1 1 A 20 20 ARG C C 20 175.795 178.154 -2.359 1
1 164 . 2 1 1 A 20 20 ARG CA C 20 55.405 56.686 -1.281 1
1 165 . 2 1 1 A 20 20 ARG CB C 20 31.685 31.821 -0.136 1
1 168 . 2 1 1 A 20 20 ARG N N 20 121.353 120.407 0.946 1
1 169 . 2 1 1 A 21 21 ALA HA H 21 4.229 4.157 0.072 1
1 173 . 2 1 1 A 21 21 ALA CA C 21 53.263 54.486 -1.223 1
1 174 . 2 1 1 A 21 21 ALA CB C 21 18.577 19.709 -1.132 1
1 175 . 2 1 1 A 22 22 GLY C C 22 175.407 172.802 2.605 1
1 176 . 2 1 1 A 23 23 HIS HA H 23 4.768 4.586 0.182 1
1 181 . 2 1 1 A 23 23 HIS C C 23 178.611 175.400 3.211 1
1 182 . 2 1 1 A 23 23 HIS CA C 23 55.004 56.694 -1.690 1
1 183 . 2 1 1 A 23 23 HIS CB C 23 30.750 30.628 0.122 1
1 186 . 2 1 1 A 24 24 HIS HA H 24 4.673 4.619 0.054 1
1 191 . 2 1 1 A 24 24 HIS C C 24 179.801 174.962 4.839 1
1 192 . 2 1 1 A 24 24 HIS CA C 24 55.610 54.807 0.803 1
1 193 . 2 1 1 A 24 24 HIS CB C 24 31.802 29.908 1.894 1
1 196 . 2 1 1 A 25 25 PRO HA H 25 4.429 4.238 0.191 1
1 203 . 2 1 1 A 25 25 PRO C C 25 176.888 176.342 0.546 1
1 204 . 2 1 1 A 25 25 PRO CA C 25 63.902 62.485 1.417 1
1 205 . 2 1 1 A 25 25 PRO CB C 25 32.124 32.551 -0.427 1
1 208 . 2 1 1 A 26 26 ASN H H 26 9.047 8.823 0.224 1
1 209 . 2 1 1 A 26 26 ASN HA H 26 4.788 4.270 0.518 1
1 214 . 2 1 1 A 26 26 ASN C C 26 175.140 175.030 0.110 1
1 215 . 2 1 1 A 26 26 ASN CA C 26 53.185 54.086 -0.901 1
1 216 . 2 1 1 A 26 26 ASN CB C 26 38.696 37.043 1.653 1
1 217 . 2 1 1 A 26 26 ASN N N 26 118.042 114.046 3.996 1
1 219 . 2 1 1 A 27 27 GLN H H 27 8.231 8.354 -0.123 1
1 220 . 2 1 1 A 27 27 GLN HA H 27 4.226 4.600 -0.374 1
1 227 . 2 1 1 A 27 27 GLN C C 27 175.212 175.494 -0.282 1
1 228 . 2 1 1 A 27 27 GLN CA C 27 57.149 56.199 0.950 1
1 229 . 2 1 1 A 27 27 GLN CB C 27 29.741 30.664 -0.923 1
1 231 . 2 1 1 A 27 27 GLN N N 27 119.679 114.912 4.767 1
1 233 . 2 1 1 A 28 28 TYR H H 28 8.059 7.874 0.185 1
1 234 . 2 1 1 A 28 28 TYR HA H 28 5.109 5.294 -0.185 1
1 241 . 2 1 1 A 28 28 TYR C C 28 174.290 174.562 -0.272 1
1 242 . 2 1 1 A 28 28 TYR CA C 28 56.779 56.843 -0.064 1
1 243 . 2 1 1 A 28 28 TYR CB C 28 41.333 42.256 -0.923 1
1 248 . 2 1 1 A 28 28 TYR N N 28 116.269 117.793 -1.524 1
1 249 . 2 1 1 A 29 29 ALA H H 29 8.837 9.253 -0.416 1
1 250 . 2 1 1 A 29 29 ALA HA H 29 5.054 5.316 -0.262 1
1 254 . 2 1 1 A 29 29 ALA C C 29 175.795 175.720 0.075 1
1 255 . 2 1 1 A 29 29 ALA CA C 29 50.612 50.217 0.395 1
1 256 . 2 1 1 A 29 29 ALA CB C 29 23.046 21.689 1.357 1
1 257 . 2 1 1 A 29 29 ALA N N 29 123.222 124.103 -0.881 1
1 258 . 2 1 1 A 30 30 THR H H 30 9.217 9.058 0.159 1
1 259 . 2 1 1 A 30 30 THR HA H 30 4.828 4.655 0.173 1
1 264 . 2 1 1 A 30 30 THR C C 30 173.659 174.164 -0.505 1
1 265 . 2 1 1 A 30 30 THR CA C 30 62.383 61.832 0.551 1
1 266 . 2 1 1 A 30 30 THR CB C 30 70.058 68.891 1.167 1
1 268 . 2 1 1 A 30 30 THR N N 30 119.265 117.719 1.546 1
1 269 . 2 1 1 A 31 31 CYS H H 31 8.927 8.740 0.187 1
1 270 . 2 1 1 A 31 31 CYS HA H 31 3.606 3.876 -0.270 1
1 273 . 2 1 1 A 31 31 CYS C C 31 177.956 175.437 2.519 1
1 274 . 2 1 1 A 31 31 CYS CA C 31 59.743 59.656 0.087 1
1 275 . 2 1 1 A 31 31 CYS CB C 31 29.971 28.481 1.490 1
1 276 . 2 1 1 A 31 31 CYS N N 31 130.893 126.807 4.086 1
1 277 . 2 1 1 A 32 32 ARG H H 32 9.393 9.055 0.338 1
1 278 . 2 1 1 A 32 32 ARG HA H 32 4.043 4.262 -0.219 1
1 285 . 2 1 1 A 32 32 ARG C C 32 176.693 176.967 -0.274 1
1 286 . 2 1 1 A 32 32 ARG CA C 32 58.471 57.956 0.515 1
1 287 . 2 1 1 A 32 32 ARG CB C 32 30.553 30.005 0.548 1
1 290 . 2 1 1 A 32 32 ARG N N 32 130.594 127.655 2.939 1
1 291 . 2 1 1 A 33 33 LEU H H 33 9.135 7.508 1.627 1
1 292 . 2 1 1 A 33 33 LEU HA H 33 4.243 4.138 0.105 1
1 302 . 2 1 1 A 33 33 LEU C C 33 178.150 178.458 -0.308 1
1 303 . 2 1 1 A 33 33 LEU CA C 33 56.709 57.129 -0.420 1
1 304 . 2 1 1 A 33 33 LEU CB C 33 41.387 42.919 -1.532 1
1 308 . 2 1 1 A 33 33 LEU N N 33 121.037 117.760 3.277 1
1 309 . 2 1 1 A 34 34 CYS H H 34 8.186 7.925 0.261 1
1 310 . 2 1 1 A 34 34 CYS HA H 34 5.200 4.709 0.491 1
1 313 . 2 1 1 A 34 34 CYS C C 34 176.329 175.743 0.586 1
1 314 . 2 1 1 A 34 34 CYS CA C 34 58.365 59.269 -0.904 1
1 315 . 2 1 1 A 34 34 CYS CB C 34 32.799 30.352 2.447 1
1 316 . 2 1 1 A 34 34 CYS N N 34 115.308 112.953 2.355 1
1 317 . 2 1 1 A 35 35 GLY H H 35 8.027 7.988 0.039 1
1 318 . 2 1 1 A 35 35 GLY HA2 H 35 3.808 3.950 -0.142 1
1 319 . 2 1 1 A 35 35 GLY HA3 H 35 4.196 3.972 0.224 1
1 320 . 2 1 1 A 35 35 GLY C C 35 173.683 174.273 -0.590 1
1 321 . 2 1 1 A 35 35 GLY CA C 35 46.313 45.452 0.861 1
1 322 . 2 1 1 A 35 35 GLY N N 35 113.546 110.309 3.237 1
1 323 . 2 1 1 A 36 36 ARG H H 36 8.272 7.135 1.137 1
1 324 . 2 1 1 A 36 36 ARG HA H 36 4.273 4.346 -0.073 1
1 331 . 2 1 1 A 36 36 ARG C C 36 175.625 175.837 -0.212 1
1 332 . 2 1 1 A 36 36 ARG CA C 36 56.774 55.680 1.094 1
1 333 . 2 1 1 A 36 36 ARG CB C 36 31.112 31.154 -0.042 1
1 336 . 2 1 1 A 36 36 ARG N N 36 121.138 119.675 1.463 1
1 337 . 2 1 1 A 37 37 GLN H H 37 8.509 8.589 -0.080 1
1 338 . 2 1 1 A 37 37 GLN HA H 37 4.888 4.954 -0.066 1
1 345 . 2 1 1 A 37 37 GLN C C 37 176.184 174.929 1.255 1
1 346 . 2 1 1 A 37 37 GLN CA C 37 55.475 55.966 -0.491 1
1 347 . 2 1 1 A 37 37 GLN CB C 37 29.426 29.676 -0.250 1
1 349 . 2 1 1 A 37 37 GLN N N 37 120.322 121.891 -1.569 1
1 351 . 2 1 1 A 38 38 VAL H H 38 9.281 9.318 -0.037 1
1 352 . 2 1 1 A 38 38 VAL HA H 38 4.216 4.648 -0.432 1
1 360 . 2 1 1 A 38 38 VAL C C 38 174.848 174.521 0.327 1
1 361 . 2 1 1 A 38 38 VAL CA C 38 61.243 61.106 0.137 1
1 362 . 2 1 1 A 38 38 VAL CB C 38 34.146 34.082 0.064 1
1 365 . 2 1 1 A 38 38 VAL N N 38 125.546 125.961 -0.415 1
1 366 . 2 1 1 A 39 39 SER H H 39 8.590 8.491 0.099 1
1 367 . 2 1 1 A 39 39 SER HA H 39 4.348 4.824 -0.476 1
1 370 . 2 1 1 A 39 39 SER C C 39 174.800 175.189 -0.389 1
1 371 . 2 1 1 A 39 39 SER CA C 39 57.731 56.176 1.555 1
1 372 . 2 1 1 A 39 39 SER CB C 39 64.121 63.422 0.699 1
1 373 . 2 1 1 A 39 39 SER N N 39 120.236 119.941 0.295 1
1 374 . 2 1 1 A 40 40 ARG H H 40 8.684 8.399 0.285 1
1 375 . 2 1 1 A 40 40 ARG HA H 40 4.189 3.935 0.254 1
1 382 . 2 1 1 A 40 40 ARG C C 40 176.062 176.168 -0.106 1
1 383 . 2 1 1 A 40 40 ARG CA C 40 56.674 58.466 -1.792 1
1 384 . 2 1 1 A 40 40 ARG CB C 40 31.302 30.183 1.119 1
1 387 . 2 1 1 A 40 40 ARG N N 40 123.390 122.693 0.697 1
1 388 . 2 1 1 A 41 41 GLY H H 41 7.970 7.972 -0.002 1
1 389 . 2 1 1 A 41 41 GLY HA2 H 41 3.920 3.983 -0.063 1
1 390 . 2 1 1 A 41 41 GLY HA3 H 41 4.216 4.003 0.213 1
1 391 . 2 1 1 A 41 41 GLY C C 41 171.037 173.930 -2.893 1
1 392 . 2 1 1 A 41 41 GLY CA C 41 44.269 44.744 -0.475 1
1 393 . 2 1 1 A 41 41 GLY N N 41 107.997 108.267 -0.270 1
1 394 . 2 1 1 A 42 42 PRO HA H 42 4.462 4.451 0.011 1
1 401 . 2 1 1 A 42 42 PRO C C 42 176.451 176.984 -0.533 1
1 402 . 2 1 1 A 42 42 PRO CA C 42 63.179 64.243 -1.064 1
1 403 . 2 1 1 A 42 42 PRO CB C 42 32.144 31.874 0.270 1
1 406 . 2 1 1 A 43 43 GLY H H 43 8.388 8.430 -0.042 1
1 407 . 2 1 1 A 43 43 GLY HA2 H 43 4.065 3.933 0.132 1
1 408 . 2 1 1 A 43 43 GLY HA3 H 43 3.808 3.940 -0.132 1
1 409 . 2 1 1 A 43 43 GLY CA C 43 45.278 45.211 0.067 1
1 410 . 2 1 1 A 43 43 GLY N N 43 109.409 106.400 3.009 1
1 411 . 2 1 1 A 44 44 VAL H H 44 7.913 7.433 0.480 1
1 412 . 2 1 1 A 44 44 VAL HA H 44 4.107 4.756 -0.649 1
1 420 . 2 1 1 A 44 44 VAL CA C 44 62.352 61.079 1.273 1
1 421 . 2 1 1 A 44 44 VAL CB C 44 32.777 34.774 -1.997 1
1 424 . 2 1 1 A 44 44 VAL N N 44 117.689 119.284 -1.595 1
1 425 . 2 1 1 A 45 45 ASN HA H 45 4.713 5.247 -0.534 1
1 430 . 2 1 1 A 45 45 ASN CA C 45 53.201 51.261 1.940 1
1 431 . 2 1 1 A 45 45 ASN CB C 45 38.671 43.023 -4.352 1
1 433 . 2 1 1 A 46 46 VAL H H 46 7.994 8.557 -0.563 1
1 434 . 2 1 1 A 46 46 VAL HA H 46 4.148 3.577 0.571 1
1 439 . 2 1 1 A 46 46 VAL C C 46 177.834 176.808 1.026 1
1 440 . 2 1 1 A 46 46 VAL CA C 46 62.726 64.929 -2.203 1
1 441 . 2 1 1 A 46 46 VAL CB C 46 32.476 31.564 0.912 1
1 443 . 2 1 1 A 46 46 VAL N N 46 118.432 121.338 -2.906 1
1 444 . 2 1 1 A 47 47 GLY HA2 H 47 3.702 4.109 -0.407 1
1 445 . 2 1 1 A 47 47 GLY HA3 H 47 4.104 4.120 -0.016 1
1 446 . 2 1 1 A 47 47 GLY C C 47 173.950 173.163 0.787 1
1 447 . 2 1 1 A 47 47 GLY CA C 47 45.202 45.921 -0.719 1
1 448 . 2 1 1 A 48 48 THR H H 48 8.238 8.257 -0.019 1
1 449 . 2 1 1 A 48 48 THR HA H 48 4.066 4.482 -0.416 1
1 454 . 2 1 1 A 48 48 THR C C 48 175.919 174.004 1.915 1
1 455 . 2 1 1 A 48 48 THR CA C 48 67.178 61.218 5.960 1
1 456 . 2 1 1 A 48 48 THR CB C 48 68.681 70.062 -1.381 1
1 458 . 2 1 1 A 48 48 THR N N 48 118.267 115.870 2.397 1
1 459 . 2 1 1 A 49 49 THR HA H 49 3.981 4.119 -0.138 1
1 464 . 2 1 1 A 49 49 THR CA C 49 62.689 64.415 -1.726 1
1 465 . 2 1 1 A 49 49 THR CB C 49 69.410 69.462 -0.052 1
1 467 . 2 1 1 A 50 50 ALA HA H 50 4.091 3.914 0.177 1
1 471 . 2 1 1 A 50 50 ALA C C 50 180.456 179.577 0.879 1
1 472 . 2 1 1 A 50 50 ALA CA C 50 55.053 55.283 -0.230 1
1 473 . 2 1 1 A 50 50 ALA CB C 50 18.859 18.243 0.616 1
1 474 . 2 1 1 A 51 51 LEU H H 51 7.042 7.558 -0.516 1
1 475 . 2 1 1 A 51 51 LEU HA H 51 3.446 3.369 0.077 1
1 485 . 2 1 1 A 51 51 LEU C C 51 179.170 179.137 0.033 1
1 486 . 2 1 1 A 51 51 LEU CA C 51 57.395 57.316 0.079 1
1 487 . 2 1 1 A 51 51 LEU CB C 51 39.050 41.155 -2.105 1
1 491 . 2 1 1 A 51 51 LEU N N 51 117.051 118.329 -1.278 1
1 492 . 2 1 1 A 52 52 TRP H H 52 7.992 8.389 -0.397 1
1 493 . 2 1 1 A 52 52 TRP HA H 52 4.412 4.331 0.081 1
1 502 . 2 1 1 A 52 52 TRP C C 52 178.636 179.009 -0.373 1
1 503 . 2 1 1 A 52 52 TRP CA C 52 60.762 60.133 0.629 1
1 504 . 2 1 1 A 52 52 TRP CB C 52 29.830 29.244 0.586 1
1 510 . 2 1 1 A 52 52 TRP N N 52 118.438 118.750 -0.312 1
1 512 . 2 1 1 A 53 53 LYS H H 53 8.239 7.785 0.454 1
1 513 . 2 1 1 A 53 53 LYS HA H 53 4.077 4.032 0.045 1
1 522 . 2 1 1 A 53 53 LYS C C 53 179.777 178.879 0.898 1
1 523 . 2 1 1 A 53 53 LYS CA C 53 59.864 59.372 0.492 1
1 524 . 2 1 1 A 53 53 LYS CB C 53 32.077 32.370 -0.293 1
1 528 . 2 1 1 A 53 53 LYS N N 53 118.342 118.851 -0.509 1
1 529 . 2 1 1 A 54 54 HIS H H 54 7.592 8.056 -0.464 1
1 530 . 2 1 1 A 54 54 HIS HA H 54 4.351 4.316 0.035 1
1 535 . 2 1 1 A 54 54 HIS C C 54 176.499 177.206 -0.707 1
1 536 . 2 1 1 A 54 54 HIS CA C 54 60.409 59.228 1.181 1
1 537 . 2 1 1 A 54 54 HIS CB C 54 28.701 29.983 -1.282 1
1 540 . 2 1 1 A 54 54 HIS N N 54 117.948 121.166 -3.218 1
1 541 . 2 1 1 A 55 55 LEU H H 55 8.223 8.367 -0.144 1
1 542 . 2 1 1 A 55 55 LEU HA H 55 3.829 3.963 -0.134 1
1 552 . 2 1 1 A 55 55 LEU C C 55 178.587 179.564 -0.977 1
1 553 . 2 1 1 A 55 55 LEU CA C 55 58.492 58.126 0.366 1
1 554 . 2 1 1 A 55 55 LEU CB C 55 42.293 41.488 0.805 1
1 558 . 2 1 1 A 55 55 LEU N N 55 118.224 119.837 -1.613 1
1 559 . 2 1 1 A 56 56 LYS H H 56 8.795 8.441 0.354 1
1 560 . 2 1 1 A 56 56 LYS HA H 56 3.823 4.264 -0.441 1
1 569 . 2 1 1 A 56 56 LYS C C 56 177.664 178.319 -0.655 1
1 570 . 2 1 1 A 56 56 LYS CA C 56 58.999 58.424 0.575 1
1 571 . 2 1 1 A 56 56 LYS CB C 56 32.395 32.123 0.272 1
1 575 . 2 1 1 A 56 56 LYS N N 56 115.460 117.545 -2.085 1
1 576 . 2 1 1 A 57 57 SER H H 57 7.600 7.872 -0.272 1
1 577 . 2 1 1 A 57 57 SER HA H 57 4.353 4.288 0.065 1
1 580 . 2 1 1 A 57 57 SER C C 57 176.451 175.297 1.154 1
1 581 . 2 1 1 A 57 57 SER CA C 57 60.480 61.093 -0.613 1
1 582 . 2 1 1 A 57 57 SER CB C 57 63.879 63.326 0.553 1
1 583 . 2 1 1 A 57 57 SER N N 57 110.773 114.906 -4.133 1
1 584 . 2 1 1 A 58 58 MET H H 58 7.685 7.499 0.186 1
1 585 . 2 1 1 A 58 58 MET HA H 58 4.555 4.557 -0.002 1
1 593 . 2 1 1 A 58 58 MET C C 58 176.645 177.151 -0.506 1
1 594 . 2 1 1 A 58 58 MET CA C 58 55.158 55.238 -0.080 1
1 595 . 2 1 1 A 58 58 MET CB C 58 32.427 34.313 -1.886 1
1 598 . 2 1 1 A 58 58 MET N N 58 115.874 116.197 -0.323 1
1 599 . 2 1 1 A 59 59 HIS H H 59 7.685 7.996 -0.311 1
1 600 . 2 1 1 A 59 59 HIS HA H 59 5.357 4.684 0.673 1
1 605 . 2 1 1 A 59 59 HIS C C 59 175.140 175.579 -0.439 1
1 606 . 2 1 1 A 59 59 HIS CA C 59 53.114 55.637 -2.523 1
1 607 . 2 1 1 A 59 59 HIS CB C 59 29.080 29.212 -0.132 1
1 610 . 2 1 1 A 59 59 HIS N N 59 117.346 116.459 0.887 1
1 611 . 2 1 1 A 60 60 ARG H H 60 7.995 7.950 0.045 1
1 612 . 2 1 1 A 60 60 ARG HA H 60 3.771 3.937 -0.166 1
1 619 . 2 1 1 A 60 60 ARG C C 60 178.684 178.434 0.250 1
1 620 . 2 1 1 A 60 60 ARG CA C 60 60.646 59.354 1.292 1
1 621 . 2 1 1 A 60 60 ARG CB C 60 29.959 29.834 0.125 1
1 624 . 2 1 1 A 60 60 ARG N N 60 120.640 121.932 -1.292 1
1 625 . 2 1 1 A 61 61 GLU H H 61 8.929 7.984 0.945 1
1 626 . 2 1 1 A 61 61 GLU HA H 61 4.046 4.129 -0.083 1
1 631 . 2 1 1 A 61 61 GLU C C 61 179.024 179.206 -0.182 1
1 632 . 2 1 1 A 61 61 GLU CA C 61 59.775 59.171 0.604 1
1 633 . 2 1 1 A 61 61 GLU CB C 61 28.926 29.426 -0.500 1
1 635 . 2 1 1 A 61 61 GLU N N 61 117.239 119.012 -1.773 1
1 636 . 2 1 1 A 62 62 GLU H H 62 8.182 8.019 0.163 1
1 637 . 2 1 1 A 62 62 GLU HA H 62 4.078 4.038 0.040 1
1 642 . 2 1 1 A 62 62 GLU C C 62 179.242 178.746 0.496 1
1 643 . 2 1 1 A 62 62 GLU CA C 62 59.317 59.113 0.204 1
1 644 . 2 1 1 A 62 62 GLU CB C 62 28.864 29.059 -0.195 1
1 646 . 2 1 1 A 62 62 GLU N N 62 120.004 120.260 -0.256 1
1 647 . 2 1 1 A 63 63 LEU H H 63 7.849 8.142 -0.293 1
1 648 . 2 1 1 A 63 63 LEU HA H 63 4.158 3.973 0.185 1
1 658 . 2 1 1 A 63 63 LEU C C 63 179.679 178.924 0.755 1
1 659 . 2 1 1 A 63 63 LEU CA C 63 57.449 57.879 -0.430 1
1 660 . 2 1 1 A 63 63 LEU CB C 63 41.552 41.621 -0.069 1
1 664 . 2 1 1 A 63 63 LEU N N 63 119.191 120.385 -1.194 1
1 665 . 2 1 1 A 64 64 GLU H H 64 8.097 7.865 0.232 1
1 666 . 2 1 1 A 64 64 GLU HA H 64 4.113 3.979 0.134 1
1 671 . 2 1 1 A 64 64 GLU C C 64 178.951 179.204 -0.253 1
1 672 . 2 1 1 A 64 64 GLU CA C 64 58.480 59.777 -1.297 1
1 673 . 2 1 1 A 64 64 GLU CB C 64 29.548 29.279 0.269 1
1 675 . 2 1 1 A 64 64 GLU N N 64 118.834 116.955 1.879 1
1 676 . 2 1 1 A 65 65 LYS H H 65 7.854 7.725 0.129 1
1 677 . 2 1 1 A 65 65 LYS HA H 65 4.197 3.996 0.201 1
1 685 . 2 1 1 A 65 65 LYS C C 65 177.713 177.376 0.337 1
1 686 . 2 1 1 A 65 65 LYS CA C 65 58.154 59.535 -1.381 1
1 687 . 2 1 1 A 65 65 LYS CB C 65 32.614 32.283 0.331 1
1 691 . 2 1 1 A 65 65 LYS N N 65 119.350 120.703 -1.353 1
1 692 . 2 1 1 A 66 66 SER H H 66 7.816 7.483 0.333 1
1 693 . 2 1 1 A 66 66 SER HA H 66 4.457 4.481 -0.024 1
1 696 . 2 1 1 A 66 66 SER C C 66 174.751 175.267 -0.516 1
1 697 . 2 1 1 A 66 66 SER CA C 66 58.864 58.288 0.576 1
1 698 . 2 1 1 A 66 66 SER CB C 66 64.180 64.264 -0.084 1
1 699 . 2 1 1 A 66 66 SER N N 66 113.693 113.881 -0.188 1
1 700 . 2 1 1 A 67 67 GLY H H 67 7.959 8.323 -0.364 1
1 701 . 2 1 1 A 67 67 GLY HA2 H 67 4.036 3.692 0.344 1
1 702 . 2 1 1 A 67 67 GLY HA3 H 67 3.924 3.733 0.191 1
1 703 . 2 1 1 A 67 67 GLY C C 67 174.775 173.810 0.965 1
1 704 . 2 1 1 A 67 67 GLY CA C 67 45.678 46.606 -0.928 1
1 705 . 2 1 1 A 67 67 GLY N N 67 108.980 110.717 -1.737 1
1 706 . 2 1 1 A 68 68 HIS H H 68 8.148 7.591 0.557 1
1 707 . 2 1 1 A 68 68 HIS HA H 68 4.861 5.286 -0.425 1
1 712 . 2 1 1 A 68 68 HIS C C 68 176.159 174.789 1.370 1
1 713 . 2 1 1 A 68 68 HIS CA C 68 56.004 53.551 2.453 1
1 714 . 2 1 1 A 68 68 HIS CB C 68 31.585 31.791 -0.206 1
1 717 . 2 1 1 A 68 68 HIS N N 68 119.127 117.656 1.471 1
1 718 . 2 1 1 A 69 69 GLY H H 69 8.610 8.489 0.121 1
1 719 . 2 1 1 A 69 69 GLY HA2 H 69 3.903 4.039 -0.136 1
1 720 . 2 1 1 A 69 69 GLY HA3 H 69 3.903 4.050 -0.147 1
1 721 . 2 1 1 A 69 69 GLY C C 69 174.290 175.432 -1.142 1
1 722 . 2 1 1 A 69 69 GLY CA C 69 45.890 45.872 0.018 1
1 723 . 2 1 1 A 69 69 GLY N N 69 109.663 112.498 -2.835 1
1 724 . 2 1 1 A 70 70 GLN H H 70 8.325 8.043 0.282 1
1 725 . 2 1 1 A 70 70 GLN HA H 70 4.396 4.479 -0.083 1
1 732 . 2 1 1 A 70 70 GLN C C 70 176.208 175.018 1.190 1
1 733 . 2 1 1 A 70 70 GLN CA C 70 55.616 55.617 -0.001 1
1 734 . 2 1 1 A 70 70 GLN CB C 70 29.441 28.973 0.468 1
1 736 . 2 1 1 A 70 70 GLN N N 70 119.031 119.297 -0.266 1
1 738 . 2 1 1 A 71 71 SER HA H 71 4.466 4.257 0.209 1
1 741 . 2 1 1 A 71 71 SER C C 71 174.096 174.354 -0.258 1
1 742 . 2 1 1 A 71 71 SER CA C 71 58.506 59.617 -1.111 1
1 743 . 2 1 1 A 71 71 SER CB C 71 64.126 62.475 1.651 1
1 744 . 2 1 1 A 72 72 GLY H H 72 8.136 8.483 -0.347 1
1 745 . 2 1 1 A 72 72 GLY HA2 H 72 3.776 4.025 -0.249 1
1 746 . 2 1 1 A 72 72 GLY HA3 H 72 3.703 4.030 -0.327 1
1 747 . 2 1 1 A 72 72 GLY C C 72 171.644 172.992 -1.348 1
1 748 . 2 1 1 A 72 72 GLY CA C 72 44.304 44.162 0.142 1
1 749 . 2 1 1 A 72 72 GLY N N 72 110.082 110.156 -0.074 1
1 750 . 2 1 1 A 73 73 PRO HA H 73 4.408 4.664 -0.256 1
1 757 . 2 1 1 A 73 73 PRO C C 73 175.067 177.563 -2.496 1
1 758 . 2 1 1 A 73 73 PRO CA C 73 63.151 62.157 0.994 1
1 759 . 2 1 1 A 73 73 PRO CB C 73 32.225 29.461 2.764 1
1 763 . 2 1 1 A 74 74 SER CA C 74 58.647 61.705 -3.058 1
1 1 . 3 1 1 A 7 7 GLY HA2 H 7 4.246 4.170 0.076 1
1 2 . 3 1 1 A 7 7 GLY HA3 H 7 4.111 4.185 -0.074 1
1 3 . 3 1 1 A 7 7 GLY CA C 7 46.145 45.053 1.092 1
1 4 . 3 1 1 A 8 8 SER HA H 8 4.472 4.407 0.065 1
1 7 . 3 1 1 A 8 8 SER C C 8 175.844 174.583 1.261 1
1 8 . 3 1 1 A 8 8 SER CA C 8 60.307 59.375 0.932 1
1 9 . 3 1 1 A 8 8 SER CB C 8 63.621 61.358 2.263 1
1 10 . 3 1 1 A 9 9 GLU H H 9 9.766 8.356 1.410 1
1 11 . 3 1 1 A 9 9 GLU HA H 9 4.354 4.315 0.039 1
1 16 . 3 1 1 A 9 9 GLU C C 9 177.495 178.852 -1.357 1
1 17 . 3 1 1 A 9 9 GLU CA C 9 58.823 58.991 -0.168 1
1 18 . 3 1 1 A 9 9 GLU CB C 9 29.080 29.711 -0.631 1
1 20 . 3 1 1 A 9 9 GLU N N 9 124.626 121.618 3.008 1
1 21 . 3 1 1 A 10 10 ALA H H 10 7.788 8.017 -0.229 1
1 22 . 3 1 1 A 10 10 ALA HA H 10 3.387 3.760 -0.373 1
1 26 . 3 1 1 A 10 10 ALA C C 10 179.145 179.261 -0.116 1
1 27 . 3 1 1 A 10 10 ALA CA C 10 54.588 54.444 0.144 1
1 28 . 3 1 1 A 10 10 ALA CB C 10 17.451 16.992 0.459 1
1 29 . 3 1 1 A 10 10 ALA N N 10 120.412 120.604 -0.192 1
1 30 . 3 1 1 A 11 11 TRP H H 11 7.481 7.974 -0.493 1
1 31 . 3 1 1 A 11 11 TRP HA H 11 4.440 4.560 -0.120 1
1 40 . 3 1 1 A 11 11 TRP C C 11 177.373 179.019 -1.646 1
1 41 . 3 1 1 A 11 11 TRP CA C 11 59.460 59.869 -0.409 1
1 42 . 3 1 1 A 11 11 TRP CB C 11 29.033 29.302 -0.269 1
1 48 . 3 1 1 A 11 11 TRP N N 11 113.286 117.767 -4.481 1
1 50 . 3 1 1 A 12 12 GLU H H 12 7.771 9.043 -1.272 1
1 51 . 3 1 1 A 12 12 GLU HA H 12 4.100 4.036 0.064 1
1 56 . 3 1 1 A 12 12 GLU C C 12 177.543 177.244 0.299 1
1 57 . 3 1 1 A 12 12 GLU CA C 12 58.195 59.314 -1.119 1
1 58 . 3 1 1 A 12 12 GLU CB C 12 29.265 28.905 0.360 1
1 60 . 3 1 1 A 12 12 GLU N N 12 117.805 119.010 -1.205 1
1 61 . 3 1 1 A 13 13 TYR H H 13 7.748 8.324 -0.576 1
1 62 . 3 1 1 A 13 13 TYR HA H 13 4.181 4.617 -0.436 1
1 69 . 3 1 1 A 13 13 TYR C C 13 172.809 174.977 -2.168 1
1 70 . 3 1 1 A 13 13 TYR CA C 13 58.524 57.734 0.790 1
1 71 . 3 1 1 A 13 13 TYR CB C 13 40.503 38.418 2.085 1
1 76 . 3 1 1 A 13 13 TYR N N 13 114.665 115.725 -1.060 1
1 77 . 3 1 1 A 14 14 PHE H H 14 7.590 8.158 -0.568 1
1 78 . 3 1 1 A 14 14 PHE HA H 14 5.336 5.593 -0.257 1
1 86 . 3 1 1 A 14 14 PHE C C 14 174.508 174.644 -0.136 1
1 87 . 3 1 1 A 14 14 PHE CA C 14 56.895 56.578 0.317 1
1 88 . 3 1 1 A 14 14 PHE CB C 14 45.117 43.419 1.698 1
1 94 . 3 1 1 A 14 14 PHE N N 14 115.479 118.507 -3.028 1
1 95 . 3 1 1 A 15 15 HIS H H 15 9.046 9.426 -0.380 1
1 96 . 3 1 1 A 15 15 HIS HA H 15 5.111 5.525 -0.414 1
1 101 . 3 1 1 A 15 15 HIS C C 15 175.455 173.872 1.583 1
1 102 . 3 1 1 A 15 15 HIS CA C 15 54.841 53.995 0.846 1
1 103 . 3 1 1 A 15 15 HIS CB C 15 33.210 32.729 0.481 1
1 106 . 3 1 1 A 15 15 HIS N N 15 118.065 117.676 0.389 1
1 107 . 3 1 1 A 16 16 LEU H H 16 8.899 8.912 -0.013 1
1 108 . 3 1 1 A 16 16 LEU HA H 16 4.624 4.358 0.266 1
1 118 . 3 1 1 A 16 16 LEU C C 16 176.256 177.506 -1.250 1
1 119 . 3 1 1 A 16 16 LEU CA C 16 54.947 55.309 -0.362 1
1 120 . 3 1 1 A 16 16 LEU CB C 16 42.540 42.260 0.280 1
1 124 . 3 1 1 A 16 16 LEU N N 16 125.895 125.916 -0.021 1
1 125 . 3 1 1 A 17 17 ALA H H 17 8.412 8.150 0.262 1
1 126 . 3 1 1 A 17 17 ALA HA H 17 4.574 4.898 -0.324 1
1 130 . 3 1 1 A 17 17 ALA C C 17 175.188 175.848 -0.660 1
1 131 . 3 1 1 A 17 17 ALA CA C 17 50.400 50.483 -0.083 1
1 132 . 3 1 1 A 17 17 ALA CB C 17 18.205 19.459 -1.254 1
1 133 . 3 1 1 A 17 17 ALA N N 17 128.151 126.405 1.746 1
1 134 . 3 1 1 A 18 18 PRO HA H 18 4.373 4.513 -0.140 1
1 141 . 3 1 1 A 18 18 PRO C C 18 176.621 177.812 -1.191 1
1 142 . 3 1 1 A 18 18 PRO CA C 18 62.911 62.457 0.454 1
1 143 . 3 1 1 A 18 18 PRO CB C 18 32.105 32.327 -0.222 1
1 146 . 3 1 1 A 19 19 ALA H H 19 8.434 8.339 0.095 1
1 147 . 3 1 1 A 19 19 ALA HA H 19 4.300 4.360 -0.060 1
1 151 . 3 1 1 A 19 19 ALA C C 19 177.834 177.100 0.734 1
1 152 . 3 1 1 A 19 19 ALA CA C 19 52.515 53.626 -1.111 1
1 153 . 3 1 1 A 19 19 ALA CB C 19 19.359 19.274 0.085 1
1 154 . 3 1 1 A 19 19 ALA N N 19 125.267 124.845 0.422 1
1 155 . 3 1 1 A 20 20 ARG H H 20 8.450 8.414 0.036 1
1 156 . 3 1 1 A 20 20 ARG HA H 20 4.366 4.614 -0.248 1
1 163 . 3 1 1 A 20 20 ARG C C 20 175.795 175.803 -0.008 1
1 164 . 3 1 1 A 20 20 ARG CA C 20 55.405 54.180 1.225 1
1 165 . 3 1 1 A 20 20 ARG CB C 20 31.685 29.815 1.870 1
1 168 . 3 1 1 A 20 20 ARG N N 20 121.353 122.689 -1.336 1
1 169 . 3 1 1 A 21 21 ALA HA H 21 4.229 3.914 0.315 1
1 173 . 3 1 1 A 21 21 ALA CA C 21 53.263 53.023 0.240 1
1 174 . 3 1 1 A 21 21 ALA CB C 21 18.577 17.527 1.050 1
1 175 . 3 1 1 A 22 22 GLY C C 22 175.407 172.410 2.997 1
1 176 . 3 1 1 A 23 23 HIS HA H 23 4.768 4.469 0.299 1
1 181 . 3 1 1 A 23 23 HIS C C 23 178.611 175.095 3.516 1
1 182 . 3 1 1 A 23 23 HIS CA C 23 55.004 56.160 -1.156 1
1 183 . 3 1 1 A 23 23 HIS CB C 23 30.750 31.017 -0.267 1
1 186 . 3 1 1 A 24 24 HIS HA H 24 4.673 4.942 -0.269 1
1 191 . 3 1 1 A 24 24 HIS C C 24 179.801 176.142 3.659 1
1 192 . 3 1 1 A 24 24 HIS CA C 24 55.610 54.735 0.875 1
1 193 . 3 1 1 A 24 24 HIS CB C 24 31.802 30.473 1.329 1
1 196 . 3 1 1 A 25 25 PRO HA H 25 4.429 4.708 -0.279 1
1 203 . 3 1 1 A 25 25 PRO C C 25 176.888 176.446 0.442 1
1 204 . 3 1 1 A 25 25 PRO CA C 25 63.902 64.450 -0.548 1
1 205 . 3 1 1 A 25 25 PRO CB C 25 32.124 31.650 0.474 1
1 208 . 3 1 1 A 26 26 ASN H H 26 9.047 8.759 0.288 1
1 209 . 3 1 1 A 26 26 ASN HA H 26 4.788 5.177 -0.389 1
1 214 . 3 1 1 A 26 26 ASN C C 26 175.140 175.902 -0.762 1
1 215 . 3 1 1 A 26 26 ASN CA C 26 53.185 52.757 0.428 1
1 216 . 3 1 1 A 26 26 ASN CB C 26 38.696 39.152 -0.456 1
1 217 . 3 1 1 A 26 26 ASN N N 26 118.042 118.081 -0.039 1
1 219 . 3 1 1 A 27 27 GLN H H 27 8.231 8.258 -0.027 1
1 220 . 3 1 1 A 27 27 GLN HA H 27 4.226 4.287 -0.061 1
1 227 . 3 1 1 A 27 27 GLN C C 27 175.212 174.053 1.159 1
1 228 . 3 1 1 A 27 27 GLN CA C 27 57.149 57.265 -0.116 1
1 229 . 3 1 1 A 27 27 GLN CB C 27 29.741 29.752 -0.011 1
1 231 . 3 1 1 A 27 27 GLN N N 27 119.679 119.140 0.539 1
1 233 . 3 1 1 A 28 28 TYR H H 28 8.059 7.744 0.315 1
1 234 . 3 1 1 A 28 28 TYR HA H 28 5.109 5.205 -0.096 1
1 241 . 3 1 1 A 28 28 TYR C C 28 174.290 174.441 -0.151 1
1 242 . 3 1 1 A 28 28 TYR CA C 28 56.779 56.984 -0.205 1
1 243 . 3 1 1 A 28 28 TYR CB C 28 41.333 41.962 -0.629 1
1 248 . 3 1 1 A 28 28 TYR N N 28 116.269 115.119 1.150 1
1 249 . 3 1 1 A 29 29 ALA H H 29 8.837 9.155 -0.318 1
1 250 . 3 1 1 A 29 29 ALA HA H 29 5.054 5.334 -0.280 1
1 254 . 3 1 1 A 29 29 ALA C C 29 175.795 175.750 0.045 1
1 255 . 3 1 1 A 29 29 ALA CA C 29 50.612 50.434 0.178 1
1 256 . 3 1 1 A 29 29 ALA CB C 29 23.046 21.728 1.318 1
1 257 . 3 1 1 A 29 29 ALA N N 29 123.222 122.930 0.292 1
1 258 . 3 1 1 A 30 30 THR H H 30 9.217 9.037 0.180 1
1 259 . 3 1 1 A 30 30 THR HA H 30 4.828 4.579 0.249 1
1 264 . 3 1 1 A 30 30 THR C C 30 173.659 174.185 -0.526 1
1 265 . 3 1 1 A 30 30 THR CA C 30 62.383 62.327 0.056 1
1 266 . 3 1 1 A 30 30 THR CB C 30 70.058 68.777 1.281 1
1 268 . 3 1 1 A 30 30 THR N N 30 119.265 118.355 0.910 1
1 269 . 3 1 1 A 31 31 CYS H H 31 8.927 8.896 0.031 1
1 270 . 3 1 1 A 31 31 CYS HA H 31 3.606 3.798 -0.192 1
1 273 . 3 1 1 A 31 31 CYS C C 31 177.956 175.749 2.207 1
1 274 . 3 1 1 A 31 31 CYS CA C 31 59.743 59.461 0.282 1
1 275 . 3 1 1 A 31 31 CYS CB C 31 29.971 28.396 1.575 1
1 276 . 3 1 1 A 31 31 CYS N N 31 130.893 126.708 4.185 1
1 277 . 3 1 1 A 32 32 ARG H H 32 9.393 9.068 0.325 1
1 278 . 3 1 1 A 32 32 ARG HA H 32 4.043 4.243 -0.200 1
1 285 . 3 1 1 A 32 32 ARG C C 32 176.693 177.075 -0.382 1
1 286 . 3 1 1 A 32 32 ARG CA C 32 58.471 58.183 0.288 1
1 287 . 3 1 1 A 32 32 ARG CB C 32 30.553 30.138 0.415 1
1 290 . 3 1 1 A 32 32 ARG N N 32 130.594 127.881 2.713 1
1 291 . 3 1 1 A 33 33 LEU H H 33 9.135 7.525 1.610 1
1 292 . 3 1 1 A 33 33 LEU HA H 33 4.243 4.102 0.141 1
1 302 . 3 1 1 A 33 33 LEU C C 33 178.150 178.440 -0.290 1
1 303 . 3 1 1 A 33 33 LEU CA C 33 56.709 57.275 -0.566 1
1 304 . 3 1 1 A 33 33 LEU CB C 33 41.387 42.399 -1.012 1
1 308 . 3 1 1 A 33 33 LEU N N 33 121.037 117.956 3.081 1
1 309 . 3 1 1 A 34 34 CYS H H 34 8.186 7.963 0.223 1
1 310 . 3 1 1 A 34 34 CYS HA H 34 5.200 4.672 0.528 1
1 313 . 3 1 1 A 34 34 CYS C C 34 176.329 175.433 0.896 1
1 314 . 3 1 1 A 34 34 CYS CA C 34 58.365 59.548 -1.183 1
1 315 . 3 1 1 A 34 34 CYS CB C 34 32.799 29.814 2.985 1
1 316 . 3 1 1 A 34 34 CYS N N 34 115.308 113.419 1.889 1
1 317 . 3 1 1 A 35 35 GLY H H 35 8.027 7.918 0.109 1
1 318 . 3 1 1 A 35 35 GLY HA2 H 35 3.808 3.987 -0.179 1
1 319 . 3 1 1 A 35 35 GLY HA3 H 35 4.196 4.006 0.190 1
1 320 . 3 1 1 A 35 35 GLY C C 35 173.683 174.038 -0.355 1
1 321 . 3 1 1 A 35 35 GLY CA C 35 46.313 45.395 0.918 1
1 322 . 3 1 1 A 35 35 GLY N N 35 113.546 110.509 3.037 1
1 323 . 3 1 1 A 36 36 ARG H H 36 8.272 7.211 1.061 1
1 324 . 3 1 1 A 36 36 ARG HA H 36 4.273 4.611 -0.338 1
1 331 . 3 1 1 A 36 36 ARG C C 36 175.625 176.010 -0.385 1
1 332 . 3 1 1 A 36 36 ARG CA C 36 56.774 54.511 2.263 1
1 333 . 3 1 1 A 36 36 ARG CB C 36 31.112 31.989 -0.877 1
1 336 . 3 1 1 A 36 36 ARG N N 36 121.138 119.266 1.872 1
1 337 . 3 1 1 A 37 37 GLN H H 37 8.509 8.496 0.013 1
1 338 . 3 1 1 A 37 37 GLN HA H 37 4.888 5.151 -0.263 1
1 345 . 3 1 1 A 37 37 GLN C C 37 176.184 175.084 1.100 1
1 346 . 3 1 1 A 37 37 GLN CA C 37 55.475 55.782 -0.307 1
1 347 . 3 1 1 A 37 37 GLN CB C 37 29.426 29.167 0.259 1
1 349 . 3 1 1 A 37 37 GLN N N 37 120.322 121.429 -1.107 1
1 351 . 3 1 1 A 38 38 VAL H H 38 9.281 9.252 0.029 1
1 352 . 3 1 1 A 38 38 VAL HA H 38 4.216 4.580 -0.364 1
1 360 . 3 1 1 A 38 38 VAL C C 38 174.848 175.154 -0.306 1
1 361 . 3 1 1 A 38 38 VAL CA C 38 61.243 61.516 -0.273 1
1 362 . 3 1 1 A 38 38 VAL CB C 38 34.146 34.606 -0.460 1
1 365 . 3 1 1 A 38 38 VAL N N 38 125.546 124.869 0.677 1
1 366 . 3 1 1 A 39 39 SER H H 39 8.590 8.984 -0.394 1
1 367 . 3 1 1 A 39 39 SER HA H 39 4.348 4.670 -0.322 1
1 370 . 3 1 1 A 39 39 SER C C 39 174.800 174.667 0.133 1
1 371 . 3 1 1 A 39 39 SER CA C 39 57.731 57.086 0.645 1
1 372 . 3 1 1 A 39 39 SER CB C 39 64.121 63.350 0.771 1
1 373 . 3 1 1 A 39 39 SER N N 39 120.236 121.936 -1.700 1
1 374 . 3 1 1 A 40 40 ARG H H 40 8.684 8.879 -0.195 1
1 375 . 3 1 1 A 40 40 ARG HA H 40 4.189 4.531 -0.342 1
1 382 . 3 1 1 A 40 40 ARG C C 40 176.062 175.806 0.256 1
1 383 . 3 1 1 A 40 40 ARG CA C 40 56.674 55.637 1.037 1
1 384 . 3 1 1 A 40 40 ARG CB C 40 31.302 32.050 -0.748 1
1 387 . 3 1 1 A 40 40 ARG N N 40 123.390 120.410 2.980 1
1 388 . 3 1 1 A 41 41 GLY H H 41 7.970 7.198 0.772 1
1 389 . 3 1 1 A 41 41 GLY HA2 H 41 3.920 4.014 -0.094 1
1 390 . 3 1 1 A 41 41 GLY HA3 H 41 4.216 4.034 0.182 1
1 391 . 3 1 1 A 41 41 GLY C C 41 171.037 173.947 -2.910 1
1 392 . 3 1 1 A 41 41 GLY CA C 41 44.269 44.605 -0.336 1
1 393 . 3 1 1 A 41 41 GLY N N 41 107.997 106.806 1.191 1
1 394 . 3 1 1 A 42 42 PRO HA H 42 4.462 4.429 0.033 1
1 401 . 3 1 1 A 42 42 PRO C C 42 176.451 176.989 -0.538 1
1 402 . 3 1 1 A 42 42 PRO CA C 42 63.179 64.371 -1.192 1
1 403 . 3 1 1 A 42 42 PRO CB C 42 32.144 32.133 0.011 1
1 406 . 3 1 1 A 43 43 GLY H H 43 8.388 8.155 0.233 1
1 407 . 3 1 1 A 43 43 GLY HA2 H 43 4.065 4.173 -0.108 1
1 408 . 3 1 1 A 43 43 GLY HA3 H 43 3.808 4.178 -0.370 1
1 409 . 3 1 1 A 43 43 GLY CA C 43 45.278 45.349 -0.071 1
1 410 . 3 1 1 A 43 43 GLY N N 43 109.409 106.521 2.888 1
1 411 . 3 1 1 A 44 44 VAL H H 44 7.913 8.972 -1.059 1
1 412 . 3 1 1 A 44 44 VAL HA H 44 4.107 4.965 -0.858 1
1 420 . 3 1 1 A 44 44 VAL CA C 44 62.352 60.306 2.046 1
1 421 . 3 1 1 A 44 44 VAL CB C 44 32.777 34.334 -1.557 1
1 424 . 3 1 1 A 44 44 VAL N N 44 117.689 124.810 -7.121 1
1 425 . 3 1 1 A 45 45 ASN HA H 45 4.713 5.058 -0.345 1
1 430 . 3 1 1 A 45 45 ASN CA C 45 53.201 54.439 -1.238 1
1 431 . 3 1 1 A 45 45 ASN CB C 45 38.671 40.357 -1.686 1
1 433 . 3 1 1 A 46 46 VAL H H 46 7.994 8.004 -0.010 1
1 434 . 3 1 1 A 46 46 VAL HA H 46 4.148 4.409 -0.261 1
1 439 . 3 1 1 A 46 46 VAL C C 46 177.834 175.353 2.481 1
1 440 . 3 1 1 A 46 46 VAL CA C 46 62.726 60.940 1.786 1
1 441 . 3 1 1 A 46 46 VAL CB C 46 32.476 33.956 -1.480 1
1 443 . 3 1 1 A 46 46 VAL N N 46 118.432 115.209 3.223 1
1 444 . 3 1 1 A 47 47 GLY HA2 H 47 3.702 4.077 -0.375 1
1 445 . 3 1 1 A 47 47 GLY HA3 H 47 4.104 4.093 0.011 1
1 446 . 3 1 1 A 47 47 GLY C C 47 173.950 173.956 -0.006 1
1 447 . 3 1 1 A 47 47 GLY CA C 47 45.202 44.312 0.890 1
1 448 . 3 1 1 A 48 48 THR H H 48 8.238 8.480 -0.242 1
1 449 . 3 1 1 A 48 48 THR HA H 48 4.066 4.302 -0.236 1
1 454 . 3 1 1 A 48 48 THR C C 48 175.919 174.126 1.793 1
1 455 . 3 1 1 A 48 48 THR CA C 48 67.178 61.666 5.512 1
1 456 . 3 1 1 A 48 48 THR CB C 48 68.681 67.055 1.626 1
1 458 . 3 1 1 A 48 48 THR N N 48 118.267 116.029 2.238 1
1 459 . 3 1 1 A 49 49 THR HA H 49 3.981 4.118 -0.137 1
1 464 . 3 1 1 A 49 49 THR CA C 49 62.689 64.370 -1.681 1
1 465 . 3 1 1 A 49 49 THR CB C 49 69.410 69.414 -0.004 1
1 467 . 3 1 1 A 50 50 ALA HA H 50 4.091 3.959 0.132 1
1 471 . 3 1 1 A 50 50 ALA C C 50 180.456 179.310 1.146 1
1 472 . 3 1 1 A 50 50 ALA CA C 50 55.053 55.630 -0.577 1
1 473 . 3 1 1 A 50 50 ALA CB C 50 18.859 18.335 0.524 1
1 474 . 3 1 1 A 51 51 LEU H H 51 7.042 7.781 -0.739 1
1 475 . 3 1 1 A 51 51 LEU HA H 51 3.446 3.282 0.164 1
1 485 . 3 1 1 A 51 51 LEU C C 51 179.170 179.094 0.076 1
1 486 . 3 1 1 A 51 51 LEU CA C 51 57.395 57.444 -0.049 1
1 487 . 3 1 1 A 51 51 LEU CB C 51 39.050 40.709 -1.659 1
1 491 . 3 1 1 A 51 51 LEU N N 51 117.051 117.804 -0.753 1
1 492 . 3 1 1 A 52 52 TRP H H 52 7.992 8.465 -0.473 1
1 493 . 3 1 1 A 52 52 TRP HA H 52 4.412 4.289 0.123 1
1 502 . 3 1 1 A 52 52 TRP C C 52 178.636 178.993 -0.357 1
1 503 . 3 1 1 A 52 52 TRP CA C 52 60.762 60.223 0.539 1
1 504 . 3 1 1 A 52 52 TRP CB C 52 29.830 29.205 0.625 1
1 510 . 3 1 1 A 52 52 TRP N N 52 118.438 118.763 -0.325 1
1 512 . 3 1 1 A 53 53 LYS H H 53 8.239 7.747 0.492 1
1 513 . 3 1 1 A 53 53 LYS HA H 53 4.077 3.994 0.083 1
1 522 . 3 1 1 A 53 53 LYS C C 53 179.777 178.952 0.825 1
1 523 . 3 1 1 A 53 53 LYS CA C 53 59.864 59.528 0.336 1
1 524 . 3 1 1 A 53 53 LYS CB C 53 32.077 32.497 -0.420 1
1 528 . 3 1 1 A 53 53 LYS N N 53 118.342 118.852 -0.510 1
1 529 . 3 1 1 A 54 54 HIS H H 54 7.592 7.752 -0.160 1
1 530 . 3 1 1 A 54 54 HIS HA H 54 4.351 4.349 0.002 1
1 535 . 3 1 1 A 54 54 HIS C C 54 176.499 177.439 -0.940 1
1 536 . 3 1 1 A 54 54 HIS CA C 54 60.409 59.229 1.180 1
1 537 . 3 1 1 A 54 54 HIS CB C 54 28.701 30.415 -1.714 1
1 540 . 3 1 1 A 54 54 HIS N N 54 117.948 120.305 -2.357 1
1 541 . 3 1 1 A 55 55 LEU H H 55 8.223 8.754 -0.531 1
1 542 . 3 1 1 A 55 55 LEU HA H 55 3.829 3.961 -0.132 1
1 552 . 3 1 1 A 55 55 LEU C C 55 178.587 179.347 -0.760 1
1 553 . 3 1 1 A 55 55 LEU CA C 55 58.492 58.210 0.282 1
1 554 . 3 1 1 A 55 55 LEU CB C 55 42.293 41.551 0.742 1
1 558 . 3 1 1 A 55 55 LEU N N 55 118.224 119.871 -1.647 1
1 559 . 3 1 1 A 56 56 LYS H H 56 8.795 8.492 0.303 1
1 560 . 3 1 1 A 56 56 LYS HA H 56 3.823 4.279 -0.456 1
1 569 . 3 1 1 A 56 56 LYS C C 56 177.664 178.157 -0.493 1
1 570 . 3 1 1 A 56 56 LYS CA C 56 58.999 58.563 0.436 1
1 571 . 3 1 1 A 56 56 LYS CB C 56 32.395 32.035 0.360 1
1 575 . 3 1 1 A 56 56 LYS N N 56 115.460 117.590 -2.130 1
1 576 . 3 1 1 A 57 57 SER H H 57 7.600 7.868 -0.268 1
1 577 . 3 1 1 A 57 57 SER HA H 57 4.353 4.329 0.024 1
1 580 . 3 1 1 A 57 57 SER C C 57 176.451 175.662 0.789 1
1 581 . 3 1 1 A 57 57 SER CA C 57 60.480 61.135 -0.655 1
1 582 . 3 1 1 A 57 57 SER CB C 57 63.879 63.333 0.546 1
1 583 . 3 1 1 A 57 57 SER N N 57 110.773 114.913 -4.140 1
1 584 . 3 1 1 A 58 58 MET H H 58 7.685 7.748 -0.063 1
1 585 . 3 1 1 A 58 58 MET HA H 58 4.555 4.530 0.025 1
1 593 . 3 1 1 A 58 58 MET C C 58 176.645 177.169 -0.524 1
1 594 . 3 1 1 A 58 58 MET CA C 58 55.158 55.313 -0.155 1
1 595 . 3 1 1 A 58 58 MET CB C 58 32.427 33.986 -1.559 1
1 598 . 3 1 1 A 58 58 MET N N 58 115.874 116.348 -0.474 1
1 599 . 3 1 1 A 59 59 HIS H H 59 7.685 7.986 -0.301 1
1 600 . 3 1 1 A 59 59 HIS HA H 59 5.357 4.711 0.646 1
1 605 . 3 1 1 A 59 59 HIS C C 59 175.140 175.584 -0.444 1
1 606 . 3 1 1 A 59 59 HIS CA C 59 53.114 55.647 -2.533 1
1 607 . 3 1 1 A 59 59 HIS CB C 59 29.080 29.322 -0.242 1
1 610 . 3 1 1 A 59 59 HIS N N 59 117.346 116.460 0.886 1
1 611 . 3 1 1 A 60 60 ARG H H 60 7.995 7.977 0.018 1
1 612 . 3 1 1 A 60 60 ARG HA H 60 3.771 3.816 -0.045 1
1 619 . 3 1 1 A 60 60 ARG C C 60 178.684 178.582 0.102 1
1 620 . 3 1 1 A 60 60 ARG CA C 60 60.646 59.636 1.010 1
1 621 . 3 1 1 A 60 60 ARG CB C 60 29.959 29.985 -0.026 1
1 624 . 3 1 1 A 60 60 ARG N N 60 120.640 121.948 -1.308 1
1 625 . 3 1 1 A 61 61 GLU H H 61 8.929 8.097 0.832 1
1 626 . 3 1 1 A 61 61 GLU HA H 61 4.046 4.150 -0.104 1
1 631 . 3 1 1 A 61 61 GLU C C 61 179.024 179.331 -0.307 1
1 632 . 3 1 1 A 61 61 GLU CA C 61 59.775 59.067 0.708 1
1 633 . 3 1 1 A 61 61 GLU CB C 61 28.926 29.343 -0.417 1
1 635 . 3 1 1 A 61 61 GLU N N 61 117.239 119.184 -1.945 1
1 636 . 3 1 1 A 62 62 GLU H H 62 8.182 8.098 0.084 1
1 637 . 3 1 1 A 62 62 GLU HA H 62 4.078 4.071 0.007 1
1 642 . 3 1 1 A 62 62 GLU C C 62 179.242 179.373 -0.131 1
1 643 . 3 1 1 A 62 62 GLU CA C 62 59.317 59.206 0.111 1
1 644 . 3 1 1 A 62 62 GLU CB C 62 28.864 29.552 -0.688 1
1 646 . 3 1 1 A 62 62 GLU N N 62 120.004 120.070 -0.066 1
1 647 . 3 1 1 A 63 63 LEU H H 63 7.849 8.499 -0.650 1
1 648 . 3 1 1 A 63 63 LEU HA H 63 4.158 4.010 0.148 1
1 658 . 3 1 1 A 63 63 LEU C C 63 179.679 178.954 0.725 1
1 659 . 3 1 1 A 63 63 LEU CA C 63 57.449 58.048 -0.599 1
1 660 . 3 1 1 A 63 63 LEU CB C 63 41.552 41.676 -0.124 1
1 664 . 3 1 1 A 63 63 LEU N N 63 119.191 120.218 -1.027 1
1 665 . 3 1 1 A 64 64 GLU H H 64 8.097 8.112 -0.015 1
1 666 . 3 1 1 A 64 64 GLU HA H 64 4.113 3.977 0.136 1
1 671 . 3 1 1 A 64 64 GLU C C 64 178.951 179.337 -0.386 1
1 672 . 3 1 1 A 64 64 GLU CA C 64 58.480 59.897 -1.417 1
1 673 . 3 1 1 A 64 64 GLU CB C 64 29.548 29.338 0.210 1
1 675 . 3 1 1 A 64 64 GLU N N 64 118.834 117.693 1.141 1
1 676 . 3 1 1 A 65 65 LYS H H 65 7.854 8.100 -0.246 1
1 677 . 3 1 1 A 65 65 LYS HA H 65 4.197 4.053 0.144 1
1 685 . 3 1 1 A 65 65 LYS C C 65 177.713 179.063 -1.350 1
1 686 . 3 1 1 A 65 65 LYS CA C 65 58.154 59.260 -1.106 1
1 687 . 3 1 1 A 65 65 LYS CB C 65 32.614 32.305 0.309 1
1 691 . 3 1 1 A 65 65 LYS N N 65 119.350 121.371 -2.021 1
1 692 . 3 1 1 A 66 66 SER H H 66 7.816 7.585 0.231 1
1 693 . 3 1 1 A 66 66 SER HA H 66 4.457 4.319 0.138 1
1 696 . 3 1 1 A 66 66 SER C C 66 174.751 174.640 0.111 1
1 697 . 3 1 1 A 66 66 SER CA C 66 58.864 61.827 -2.963 1
1 698 . 3 1 1 A 66 66 SER CB C 66 64.180 63.803 0.377 1
1 699 . 3 1 1 A 66 66 SER N N 66 113.693 113.684 0.009 1
1 700 . 3 1 1 A 67 67 GLY H H 67 7.959 7.917 0.042 1
1 701 . 3 1 1 A 67 67 GLY HA2 H 67 4.036 3.940 0.096 1
1 702 . 3 1 1 A 67 67 GLY HA3 H 67 3.924 4.016 -0.092 1
1 703 . 3 1 1 A 67 67 GLY C C 67 174.775 173.930 0.845 1
1 704 . 3 1 1 A 67 67 GLY CA C 67 45.678 45.062 0.616 1
1 705 . 3 1 1 A 67 67 GLY N N 67 108.980 107.285 1.695 1
1 706 . 3 1 1 A 68 68 HIS H H 68 8.148 7.990 0.158 1
1 707 . 3 1 1 A 68 68 HIS HA H 68 4.861 4.956 -0.095 1
1 712 . 3 1 1 A 68 68 HIS C C 68 176.159 174.438 1.721 1
1 713 . 3 1 1 A 68 68 HIS CA C 68 56.004 54.135 1.869 1
1 714 . 3 1 1 A 68 68 HIS CB C 68 31.585 30.693 0.892 1
1 717 . 3 1 1 A 68 68 HIS N N 68 119.127 119.058 0.069 1
1 718 . 3 1 1 A 69 69 GLY H H 69 8.610 8.462 0.148 1
1 719 . 3 1 1 A 69 69 GLY HA2 H 69 3.903 4.037 -0.134 1
1 720 . 3 1 1 A 69 69 GLY HA3 H 69 3.903 4.054 -0.151 1
1 721 . 3 1 1 A 69 69 GLY C C 69 174.290 174.768 -0.478 1
1 722 . 3 1 1 A 69 69 GLY CA C 69 45.890 46.152 -0.262 1
1 723 . 3 1 1 A 69 69 GLY N N 69 109.663 112.170 -2.507 1
1 724 . 3 1 1 A 70 70 GLN H H 70 8.325 8.059 0.266 1
1 725 . 3 1 1 A 70 70 GLN HA H 70 4.396 4.289 0.107 1
1 732 . 3 1 1 A 70 70 GLN C C 70 176.208 175.890 0.318 1
1 733 . 3 1 1 A 70 70 GLN CA C 70 55.616 55.421 0.195 1
1 734 . 3 1 1 A 70 70 GLN CB C 70 29.441 27.967 1.474 1
1 736 . 3 1 1 A 70 70 GLN N N 70 119.031 117.850 1.181 1
1 738 . 3 1 1 A 71 71 SER HA H 71 4.466 4.307 0.159 1
1 741 . 3 1 1 A 71 71 SER C C 71 174.096 174.193 -0.097 1
1 742 . 3 1 1 A 71 71 SER CA C 71 58.506 59.195 -0.689 1
1 743 . 3 1 1 A 71 71 SER CB C 71 64.126 62.604 1.522 1
1 744 . 3 1 1 A 72 72 GLY H H 72 8.136 8.367 -0.231 1
1 745 . 3 1 1 A 72 72 GLY HA2 H 72 3.776 4.085 -0.309 1
1 746 . 3 1 1 A 72 72 GLY HA3 H 72 3.703 4.107 -0.404 1
1 747 . 3 1 1 A 72 72 GLY C C 72 171.644 173.773 -2.129 1
1 748 . 3 1 1 A 72 72 GLY CA C 72 44.304 44.708 -0.404 1
1 749 . 3 1 1 A 72 72 GLY N N 72 110.082 110.355 -0.273 1
1 750 . 3 1 1 A 73 73 PRO HA H 73 4.408 4.447 -0.039 1
1 757 . 3 1 1 A 73 73 PRO C C 73 175.067 176.498 -1.431 1
1 758 . 3 1 1 A 73 73 PRO CA C 73 63.151 64.837 -1.686 1
1 759 . 3 1 1 A 73 73 PRO CB C 73 32.225 32.116 0.109 1
1 763 . 3 1 1 A 74 74 SER CA C 74 58.647 57.588 1.059 1
1 1 . 4 1 1 A 7 7 GLY HA2 H 7 4.246 4.038 0.208 1
1 2 . 4 1 1 A 7 7 GLY HA3 H 7 4.111 4.063 0.048 1
1 3 . 4 1 1 A 7 7 GLY CA C 7 46.145 47.286 -1.141 1
1 4 . 4 1 1 A 8 8 SER HA H 8 4.472 4.606 -0.134 1
1 7 . 4 1 1 A 8 8 SER C C 8 175.844 176.658 -0.814 1
1 8 . 4 1 1 A 8 8 SER CA C 8 60.307 60.601 -0.294 1
1 9 . 4 1 1 A 8 8 SER CB C 8 63.621 63.572 0.049 1
1 10 . 4 1 1 A 9 9 GLU H H 9 9.766 8.386 1.380 1
1 11 . 4 1 1 A 9 9 GLU HA H 9 4.354 4.085 0.269 1
1 16 . 4 1 1 A 9 9 GLU C C 9 177.495 178.483 -0.988 1
1 17 . 4 1 1 A 9 9 GLU CA C 9 58.823 59.487 -0.664 1
1 18 . 4 1 1 A 9 9 GLU CB C 9 29.080 29.602 -0.522 1
1 20 . 4 1 1 A 9 9 GLU N N 9 124.626 122.070 2.556 1
1 21 . 4 1 1 A 10 10 ALA H H 10 7.788 7.820 -0.032 1
1 22 . 4 1 1 A 10 10 ALA HA H 10 3.387 3.708 -0.321 1
1 26 . 4 1 1 A 10 10 ALA C C 10 179.145 179.561 -0.416 1
1 27 . 4 1 1 A 10 10 ALA CA C 10 54.588 54.434 0.154 1
1 28 . 4 1 1 A 10 10 ALA CB C 10 17.451 17.036 0.415 1
1 29 . 4 1 1 A 10 10 ALA N N 10 120.412 120.993 -0.581 1
1 30 . 4 1 1 A 11 11 TRP H H 11 7.481 8.454 -0.973 1
1 31 . 4 1 1 A 11 11 TRP HA H 11 4.440 4.569 -0.129 1
1 40 . 4 1 1 A 11 11 TRP C C 11 177.373 179.031 -1.658 1
1 41 . 4 1 1 A 11 11 TRP CA C 11 59.460 59.743 -0.283 1
1 42 . 4 1 1 A 11 11 TRP CB C 11 29.033 29.277 -0.244 1
1 48 . 4 1 1 A 11 11 TRP N N 11 113.286 118.446 -5.160 1
1 50 . 4 1 1 A 12 12 GLU H H 12 7.771 9.050 -1.279 1
1 51 . 4 1 1 A 12 12 GLU HA H 12 4.100 4.050 0.050 1
1 56 . 4 1 1 A 12 12 GLU C C 12 177.543 177.253 0.290 1
1 57 . 4 1 1 A 12 12 GLU CA C 12 58.195 59.407 -1.212 1
1 58 . 4 1 1 A 12 12 GLU CB C 12 29.265 29.046 0.219 1
1 60 . 4 1 1 A 12 12 GLU N N 12 117.805 118.937 -1.132 1
1 61 . 4 1 1 A 13 13 TYR H H 13 7.748 8.309 -0.561 1
1 62 . 4 1 1 A 13 13 TYR HA H 13 4.181 4.589 -0.408 1
1 69 . 4 1 1 A 13 13 TYR C C 13 172.809 175.030 -2.221 1
1 70 . 4 1 1 A 13 13 TYR CA C 13 58.524 57.607 0.917 1
1 71 . 4 1 1 A 13 13 TYR CB C 13 40.503 38.441 2.062 1
1 76 . 4 1 1 A 13 13 TYR N N 13 114.665 115.669 -1.004 1
1 77 . 4 1 1 A 14 14 PHE H H 14 7.590 8.216 -0.626 1
1 78 . 4 1 1 A 14 14 PHE HA H 14 5.336 5.568 -0.232 1
1 86 . 4 1 1 A 14 14 PHE C C 14 174.508 174.601 -0.093 1
1 87 . 4 1 1 A 14 14 PHE CA C 14 56.895 56.490 0.405 1
1 88 . 4 1 1 A 14 14 PHE CB C 14 45.117 43.600 1.517 1
1 94 . 4 1 1 A 14 14 PHE N N 14 115.479 118.493 -3.014 1
1 95 . 4 1 1 A 15 15 HIS H H 15 9.046 9.293 -0.247 1
1 96 . 4 1 1 A 15 15 HIS HA H 15 5.111 5.537 -0.426 1
1 101 . 4 1 1 A 15 15 HIS C C 15 175.455 173.752 1.703 1
1 102 . 4 1 1 A 15 15 HIS CA C 15 54.841 53.925 0.916 1
1 103 . 4 1 1 A 15 15 HIS CB C 15 33.210 32.988 0.222 1
1 106 . 4 1 1 A 15 15 HIS N N 15 118.065 117.582 0.483 1
1 107 . 4 1 1 A 16 16 LEU H H 16 8.899 8.810 0.089 1
1 108 . 4 1 1 A 16 16 LEU HA H 16 4.624 4.165 0.459 1
1 118 . 4 1 1 A 16 16 LEU C C 16 176.256 177.000 -0.744 1
1 119 . 4 1 1 A 16 16 LEU CA C 16 54.947 55.686 -0.739 1
1 120 . 4 1 1 A 16 16 LEU CB C 16 42.540 42.090 0.450 1
1 124 . 4 1 1 A 16 16 LEU N N 16 125.895 125.874 0.021 1
1 125 . 4 1 1 A 17 17 ALA H H 17 8.412 8.251 0.161 1
1 126 . 4 1 1 A 17 17 ALA HA H 17 4.574 4.935 -0.361 1
1 130 . 4 1 1 A 17 17 ALA C C 17 175.188 175.846 -0.658 1
1 131 . 4 1 1 A 17 17 ALA CA C 17 50.400 50.325 0.075 1
1 132 . 4 1 1 A 17 17 ALA CB C 17 18.205 19.443 -1.238 1
1 133 . 4 1 1 A 17 17 ALA N N 17 128.151 127.438 0.713 1
1 134 . 4 1 1 A 18 18 PRO HA H 18 4.373 4.763 -0.390 1
1 141 . 4 1 1 A 18 18 PRO C C 18 176.621 176.793 -0.172 1
1 142 . 4 1 1 A 18 18 PRO CA C 18 62.911 62.749 0.162 1
1 143 . 4 1 1 A 18 18 PRO CB C 18 32.105 32.195 -0.090 1
1 146 . 4 1 1 A 19 19 ALA H H 19 8.434 8.711 -0.277 1
1 147 . 4 1 1 A 19 19 ALA HA H 19 4.300 4.284 0.016 1
1 151 . 4 1 1 A 19 19 ALA C C 19 177.834 178.028 -0.194 1
1 152 . 4 1 1 A 19 19 ALA CA C 19 52.515 55.311 -2.796 1
1 153 . 4 1 1 A 19 19 ALA CB C 19 19.359 19.457 -0.098 1
1 154 . 4 1 1 A 19 19 ALA N N 19 125.267 127.329 -2.062 1
1 155 . 4 1 1 A 20 20 ARG H H 20 8.450 8.167 0.283 1
1 156 . 4 1 1 A 20 20 ARG HA H 20 4.366 4.016 0.350 1
1 163 . 4 1 1 A 20 20 ARG C C 20 175.795 175.493 0.302 1
1 164 . 4 1 1 A 20 20 ARG CA C 20 55.405 56.990 -1.585 1
1 165 . 4 1 1 A 20 20 ARG CB C 20 31.685 28.046 3.639 1
1 168 . 4 1 1 A 20 20 ARG N N 20 121.353 116.670 4.683 1
1 169 . 4 1 1 A 21 21 ALA HA H 21 4.229 4.593 -0.364 1
1 173 . 4 1 1 A 21 21 ALA CA C 21 53.263 53.310 -0.047 1
1 174 . 4 1 1 A 21 21 ALA CB C 21 18.577 21.285 -2.708 1
1 175 . 4 1 1 A 22 22 GLY C C 22 175.407 174.040 1.367 1
1 176 . 4 1 1 A 23 23 HIS HA H 23 4.768 4.589 0.179 1
1 181 . 4 1 1 A 23 23 HIS C C 23 178.611 174.980 3.631 1
1 182 . 4 1 1 A 23 23 HIS CA C 23 55.004 55.581 -0.577 1
1 183 . 4 1 1 A 23 23 HIS CB C 23 30.750 30.673 0.077 1
1 186 . 4 1 1 A 24 24 HIS HA H 24 4.673 4.661 0.012 1
1 191 . 4 1 1 A 24 24 HIS C C 24 179.801 174.484 5.317 1
1 192 . 4 1 1 A 24 24 HIS CA C 24 55.610 54.767 0.843 1
1 193 . 4 1 1 A 24 24 HIS CB C 24 31.802 29.780 2.022 1
1 196 . 4 1 1 A 25 25 PRO HA H 25 4.429 4.309 0.120 1
1 203 . 4 1 1 A 25 25 PRO C C 25 176.888 176.745 0.143 1
1 204 . 4 1 1 A 25 25 PRO CA C 25 63.902 63.158 0.744 1
1 205 . 4 1 1 A 25 25 PRO CB C 25 32.124 32.454 -0.330 1
1 208 . 4 1 1 A 26 26 ASN H H 26 9.047 8.905 0.142 1
1 209 . 4 1 1 A 26 26 ASN HA H 26 4.788 4.373 0.415 1
1 214 . 4 1 1 A 26 26 ASN C C 26 175.140 175.254 -0.114 1
1 215 . 4 1 1 A 26 26 ASN CA C 26 53.185 54.266 -1.081 1
1 216 . 4 1 1 A 26 26 ASN CB C 26 38.696 36.965 1.731 1
1 217 . 4 1 1 A 26 26 ASN N N 26 118.042 114.933 3.109 1
1 219 . 4 1 1 A 27 27 GLN H H 27 8.231 7.909 0.322 1
1 220 . 4 1 1 A 27 27 GLN HA H 27 4.226 4.109 0.117 1
1 227 . 4 1 1 A 27 27 GLN C C 27 175.212 174.740 0.472 1
1 228 . 4 1 1 A 27 27 GLN CA C 27 57.149 58.009 -0.860 1
1 229 . 4 1 1 A 27 27 GLN CB C 27 29.741 29.298 0.443 1
1 231 . 4 1 1 A 27 27 GLN N N 27 119.679 117.027 2.652 1
1 233 . 4 1 1 A 28 28 TYR H H 28 8.059 7.815 0.244 1
1 234 . 4 1 1 A 28 28 TYR HA H 28 5.109 5.192 -0.083 1
1 241 . 4 1 1 A 28 28 TYR C C 28 174.290 174.851 -0.561 1
1 242 . 4 1 1 A 28 28 TYR CA C 28 56.779 56.996 -0.217 1
1 243 . 4 1 1 A 28 28 TYR CB C 28 41.333 41.537 -0.204 1
1 248 . 4 1 1 A 28 28 TYR N N 28 116.269 115.553 0.716 1
1 249 . 4 1 1 A 29 29 ALA H H 29 8.837 8.636 0.201 1
1 250 . 4 1 1 A 29 29 ALA HA H 29 5.054 5.493 -0.439 1
1 254 . 4 1 1 A 29 29 ALA C C 29 175.795 175.933 -0.138 1
1 255 . 4 1 1 A 29 29 ALA CA C 29 50.612 50.006 0.606 1
1 256 . 4 1 1 A 29 29 ALA CB C 29 23.046 22.742 0.304 1
1 257 . 4 1 1 A 29 29 ALA N N 29 123.222 123.051 0.171 1
1 258 . 4 1 1 A 30 30 THR H H 30 9.217 8.897 0.320 1
1 259 . 4 1 1 A 30 30 THR HA H 30 4.828 4.770 0.058 1
1 264 . 4 1 1 A 30 30 THR C C 30 173.659 173.839 -0.180 1
1 265 . 4 1 1 A 30 30 THR CA C 30 62.383 61.893 0.490 1
1 266 . 4 1 1 A 30 30 THR CB C 30 70.058 69.536 0.522 1
1 268 . 4 1 1 A 30 30 THR N N 30 119.265 115.965 3.300 1
1 269 . 4 1 1 A 31 31 CYS H H 31 8.927 8.894 0.033 1
1 270 . 4 1 1 A 31 31 CYS HA H 31 3.606 3.607 -0.001 1
1 273 . 4 1 1 A 31 31 CYS C C 31 177.956 175.440 2.516 1
1 274 . 4 1 1 A 31 31 CYS CA C 31 59.743 59.670 0.073 1
1 275 . 4 1 1 A 31 31 CYS CB C 31 29.971 28.518 1.453 1
1 276 . 4 1 1 A 31 31 CYS N N 31 130.893 126.528 4.365 1
1 277 . 4 1 1 A 32 32 ARG H H 32 9.393 9.021 0.372 1
1 278 . 4 1 1 A 32 32 ARG HA H 32 4.043 4.235 -0.192 1
1 285 . 4 1 1 A 32 32 ARG C C 32 176.693 177.045 -0.352 1
1 286 . 4 1 1 A 32 32 ARG CA C 32 58.471 58.093 0.378 1
1 287 . 4 1 1 A 32 32 ARG CB C 32 30.553 30.112 0.441 1
1 290 . 4 1 1 A 32 32 ARG N N 32 130.594 127.767 2.827 1
1 291 . 4 1 1 A 33 33 LEU H H 33 9.135 7.457 1.678 1
1 292 . 4 1 1 A 33 33 LEU HA H 33 4.243 4.082 0.161 1
1 302 . 4 1 1 A 33 33 LEU C C 33 178.150 178.433 -0.283 1
1 303 . 4 1 1 A 33 33 LEU CA C 33 56.709 57.224 -0.515 1
1 304 . 4 1 1 A 33 33 LEU CB C 33 41.387 42.444 -1.057 1
1 308 . 4 1 1 A 33 33 LEU N N 33 121.037 117.941 3.096 1
1 309 . 4 1 1 A 34 34 CYS H H 34 8.186 7.940 0.246 1
1 310 . 4 1 1 A 34 34 CYS HA H 34 5.200 4.676 0.524 1
1 313 . 4 1 1 A 34 34 CYS C C 34 176.329 175.434 0.895 1
1 314 . 4 1 1 A 34 34 CYS CA C 34 58.365 59.542 -1.177 1
1 315 . 4 1 1 A 34 34 CYS CB C 34 32.799 29.820 2.979 1
1 316 . 4 1 1 A 34 34 CYS N N 34 115.308 113.145 2.163 1
1 317 . 4 1 1 A 35 35 GLY H H 35 8.027 8.154 -0.127 1
1 318 . 4 1 1 A 35 35 GLY HA2 H 35 3.808 3.996 -0.188 1
1 319 . 4 1 1 A 35 35 GLY HA3 H 35 4.196 4.020 0.176 1
1 320 . 4 1 1 A 35 35 GLY C C 35 173.683 174.045 -0.362 1
1 321 . 4 1 1 A 35 35 GLY CA C 35 46.313 45.409 0.904 1
1 322 . 4 1 1 A 35 35 GLY N N 35 113.546 110.281 3.265 1
1 323 . 4 1 1 A 36 36 ARG H H 36 8.272 7.220 1.052 1
1 324 . 4 1 1 A 36 36 ARG HA H 36 4.273 4.617 -0.344 1
1 331 . 4 1 1 A 36 36 ARG C C 36 175.625 176.029 -0.404 1
1 332 . 4 1 1 A 36 36 ARG CA C 36 56.774 54.709 2.065 1
1 333 . 4 1 1 A 36 36 ARG CB C 36 31.112 31.789 -0.677 1
1 336 . 4 1 1 A 36 36 ARG N N 36 121.138 119.515 1.623 1
1 337 . 4 1 1 A 37 37 GLN H H 37 8.509 8.613 -0.104 1
1 338 . 4 1 1 A 37 37 GLN HA H 37 4.888 5.090 -0.202 1
1 345 . 4 1 1 A 37 37 GLN C C 37 176.184 174.964 1.220 1
1 346 . 4 1 1 A 37 37 GLN CA C 37 55.475 55.870 -0.395 1
1 347 . 4 1 1 A 37 37 GLN CB C 37 29.426 29.439 -0.013 1
1 349 . 4 1 1 A 37 37 GLN N N 37 120.322 120.918 -0.596 1
1 351 . 4 1 1 A 38 38 VAL H H 38 9.281 9.208 0.073 1
1 352 . 4 1 1 A 38 38 VAL HA H 38 4.216 4.332 -0.116 1
1 360 . 4 1 1 A 38 38 VAL C C 38 174.848 174.435 0.413 1
1 361 . 4 1 1 A 38 38 VAL CA C 38 61.243 61.311 -0.068 1
1 362 . 4 1 1 A 38 38 VAL CB C 38 34.146 34.421 -0.275 1
1 365 . 4 1 1 A 38 38 VAL N N 38 125.546 124.595 0.951 1
1 366 . 4 1 1 A 39 39 SER H H 39 8.590 8.398 0.192 1
1 367 . 4 1 1 A 39 39 SER HA H 39 4.348 4.214 0.134 1
1 370 . 4 1 1 A 39 39 SER C C 39 174.800 175.252 -0.452 1
1 371 . 4 1 1 A 39 39 SER CA C 39 57.731 57.275 0.456 1
1 372 . 4 1 1 A 39 39 SER CB C 39 64.121 63.218 0.903 1
1 373 . 4 1 1 A 39 39 SER N N 39 120.236 122.069 -1.833 1
1 374 . 4 1 1 A 40 40 ARG H H 40 8.684 8.632 0.052 1
1 375 . 4 1 1 A 40 40 ARG HA H 40 4.189 3.834 0.355 1
1 382 . 4 1 1 A 40 40 ARG C C 40 176.062 177.003 -0.941 1
1 383 . 4 1 1 A 40 40 ARG CA C 40 56.674 58.725 -2.051 1
1 384 . 4 1 1 A 40 40 ARG CB C 40 31.302 30.348 0.954 1
1 387 . 4 1 1 A 40 40 ARG N N 40 123.390 125.439 -2.049 1
1 388 . 4 1 1 A 41 41 GLY H H 41 7.970 7.791 0.179 1
1 389 . 4 1 1 A 41 41 GLY HA2 H 41 3.920 3.999 -0.079 1
1 390 . 4 1 1 A 41 41 GLY HA3 H 41 4.216 4.025 0.191 1
1 391 . 4 1 1 A 41 41 GLY C C 41 171.037 173.360 -2.323 1
1 392 . 4 1 1 A 41 41 GLY CA C 41 44.269 44.640 -0.371 1
1 393 . 4 1 1 A 41 41 GLY N N 41 107.997 106.960 1.037 1
1 394 . 4 1 1 A 42 42 PRO HA H 42 4.462 4.190 0.272 1
1 401 . 4 1 1 A 42 42 PRO C C 42 176.451 177.281 -0.830 1
1 402 . 4 1 1 A 42 42 PRO CA C 42 63.179 63.517 -0.338 1
1 403 . 4 1 1 A 42 42 PRO CB C 42 32.144 32.082 0.062 1
1 406 . 4 1 1 A 43 43 GLY H H 43 8.388 8.902 -0.514 1
1 407 . 4 1 1 A 43 43 GLY HA2 H 43 4.065 3.916 0.149 1
1 408 . 4 1 1 A 43 43 GLY HA3 H 43 3.808 3.920 -0.112 1
1 409 . 4 1 1 A 43 43 GLY CA C 43 45.278 46.881 -1.603 1
1 410 . 4 1 1 A 43 43 GLY N N 43 109.409 111.650 -2.241 1
1 411 . 4 1 1 A 44 44 VAL H H 44 7.913 7.909 0.004 1
1 412 . 4 1 1 A 44 44 VAL HA H 44 4.107 4.418 -0.311 1
1 420 . 4 1 1 A 44 44 VAL CA C 44 62.352 63.165 -0.813 1
1 421 . 4 1 1 A 44 44 VAL CB C 44 32.777 34.263 -1.486 1
1 424 . 4 1 1 A 44 44 VAL N N 44 117.689 119.611 -1.922 1
1 425 . 4 1 1 A 45 45 ASN HA H 45 4.713 4.606 0.107 1
1 430 . 4 1 1 A 45 45 ASN CA C 45 53.201 56.084 -2.883 1
1 431 . 4 1 1 A 45 45 ASN CB C 45 38.671 38.386 0.285 1
1 433 . 4 1 1 A 46 46 VAL H H 46 7.994 7.920 0.074 1
1 434 . 4 1 1 A 46 46 VAL HA H 46 4.148 3.771 0.377 1
1 439 . 4 1 1 A 46 46 VAL C C 46 177.834 176.333 1.501 1
1 440 . 4 1 1 A 46 46 VAL CA C 46 62.726 65.786 -3.060 1
1 441 . 4 1 1 A 46 46 VAL CB C 46 32.476 31.978 0.498 1
1 443 . 4 1 1 A 46 46 VAL N N 46 118.432 119.568 -1.136 1
1 444 . 4 1 1 A 47 47 GLY HA2 H 47 3.702 3.965 -0.263 1
1 445 . 4 1 1 A 47 47 GLY HA3 H 47 4.104 3.989 0.115 1
1 446 . 4 1 1 A 47 47 GLY C C 47 173.950 174.815 -0.865 1
1 447 . 4 1 1 A 47 47 GLY CA C 47 45.202 45.476 -0.274 1
1 448 . 4 1 1 A 48 48 THR H H 48 8.238 7.826 0.412 1
1 449 . 4 1 1 A 48 48 THR HA H 48 4.066 4.107 -0.041 1
1 454 . 4 1 1 A 48 48 THR C C 48 175.919 173.679 2.240 1
1 455 . 4 1 1 A 48 48 THR CA C 48 67.178 62.121 5.057 1
1 456 . 4 1 1 A 48 48 THR CB C 48 68.681 67.313 1.368 1
1 458 . 4 1 1 A 48 48 THR N N 48 118.267 115.801 2.466 1
1 459 . 4 1 1 A 49 49 THR HA H 49 3.981 4.223 -0.242 1
1 464 . 4 1 1 A 49 49 THR CA C 49 62.689 64.429 -1.740 1
1 465 . 4 1 1 A 49 49 THR CB C 49 69.410 69.338 0.072 1
1 467 . 4 1 1 A 50 50 ALA HA H 50 4.091 3.913 0.178 1
1 471 . 4 1 1 A 50 50 ALA C C 50 180.456 179.589 0.867 1
1 472 . 4 1 1 A 50 50 ALA CA C 50 55.053 55.507 -0.454 1
1 473 . 4 1 1 A 50 50 ALA CB C 50 18.859 18.305 0.554 1
1 474 . 4 1 1 A 51 51 LEU H H 51 7.042 7.610 -0.568 1
1 475 . 4 1 1 A 51 51 LEU HA H 51 3.446 3.355 0.091 1
1 485 . 4 1 1 A 51 51 LEU C C 51 179.170 179.157 0.013 1
1 486 . 4 1 1 A 51 51 LEU CA C 51 57.395 57.435 -0.040 1
1 487 . 4 1 1 A 51 51 LEU CB C 51 39.050 40.765 -1.715 1
1 491 . 4 1 1 A 51 51 LEU N N 51 117.051 117.574 -0.523 1
1 492 . 4 1 1 A 52 52 TRP H H 52 7.992 8.441 -0.449 1
1 493 . 4 1 1 A 52 52 TRP HA H 52 4.412 4.284 0.128 1
1 502 . 4 1 1 A 52 52 TRP C C 52 178.636 178.986 -0.350 1
1 503 . 4 1 1 A 52 52 TRP CA C 52 60.762 60.117 0.645 1
1 504 . 4 1 1 A 52 52 TRP CB C 52 29.830 29.059 0.771 1
1 510 . 4 1 1 A 52 52 TRP N N 52 118.438 118.746 -0.308 1
1 512 . 4 1 1 A 53 53 LYS H H 53 8.239 8.236 0.003 1
1 513 . 4 1 1 A 53 53 LYS HA H 53 4.077 4.041 0.036 1
1 522 . 4 1 1 A 53 53 LYS C C 53 179.777 178.735 1.042 1
1 523 . 4 1 1 A 53 53 LYS CA C 53 59.864 59.301 0.563 1
1 524 . 4 1 1 A 53 53 LYS CB C 53 32.077 32.295 -0.218 1
1 528 . 4 1 1 A 53 53 LYS N N 53 118.342 118.871 -0.529 1
1 529 . 4 1 1 A 54 54 HIS H H 54 7.592 8.112 -0.520 1
1 530 . 4 1 1 A 54 54 HIS HA H 54 4.351 4.354 -0.003 1
1 535 . 4 1 1 A 54 54 HIS C C 54 176.499 177.316 -0.817 1
1 536 . 4 1 1 A 54 54 HIS CA C 54 60.409 59.430 0.979 1
1 537 . 4 1 1 A 54 54 HIS CB C 54 28.701 30.255 -1.554 1
1 540 . 4 1 1 A 54 54 HIS N N 54 117.948 121.349 -3.401 1
1 541 . 4 1 1 A 55 55 LEU H H 55 8.223 8.682 -0.459 1
1 542 . 4 1 1 A 55 55 LEU HA H 55 3.829 3.946 -0.117 1
1 552 . 4 1 1 A 55 55 LEU C C 55 178.587 179.324 -0.737 1
1 553 . 4 1 1 A 55 55 LEU CA C 55 58.492 58.094 0.398 1
1 554 . 4 1 1 A 55 55 LEU CB C 55 42.293 41.484 0.809 1
1 558 . 4 1 1 A 55 55 LEU N N 55 118.224 119.898 -1.674 1
1 559 . 4 1 1 A 56 56 LYS H H 56 8.795 8.413 0.382 1
1 560 . 4 1 1 A 56 56 LYS HA H 56 3.823 4.252 -0.429 1
1 569 . 4 1 1 A 56 56 LYS C C 56 177.664 178.391 -0.727 1
1 570 . 4 1 1 A 56 56 LYS CA C 56 58.999 58.417 0.582 1
1 571 . 4 1 1 A 56 56 LYS CB C 56 32.395 32.122 0.273 1
1 575 . 4 1 1 A 56 56 LYS N N 56 115.460 117.789 -2.329 1
1 576 . 4 1 1 A 57 57 SER H H 57 7.600 7.870 -0.270 1
1 577 . 4 1 1 A 57 57 SER HA H 57 4.353 4.325 0.028 1
1 580 . 4 1 1 A 57 57 SER C C 57 176.451 175.655 0.796 1
1 581 . 4 1 1 A 57 57 SER CA C 57 60.480 61.188 -0.708 1
1 582 . 4 1 1 A 57 57 SER CB C 57 63.879 63.269 0.610 1
1 583 . 4 1 1 A 57 57 SER N N 57 110.773 114.908 -4.135 1
1 584 . 4 1 1 A 58 58 MET H H 58 7.685 7.666 0.019 1
1 585 . 4 1 1 A 58 58 MET HA H 58 4.555 4.525 0.030 1
1 593 . 4 1 1 A 58 58 MET C C 58 176.645 177.155 -0.510 1
1 594 . 4 1 1 A 58 58 MET CA C 58 55.158 55.354 -0.196 1
1 595 . 4 1 1 A 58 58 MET CB C 58 32.427 34.091 -1.664 1
1 598 . 4 1 1 A 58 58 MET N N 58 115.874 116.321 -0.447 1
1 599 . 4 1 1 A 59 59 HIS H H 59 7.685 7.869 -0.184 1
1 600 . 4 1 1 A 59 59 HIS HA H 59 5.357 4.699 0.658 1
1 605 . 4 1 1 A 59 59 HIS C C 59 175.140 175.570 -0.430 1
1 606 . 4 1 1 A 59 59 HIS CA C 59 53.114 55.599 -2.485 1
1 607 . 4 1 1 A 59 59 HIS CB C 59 29.080 29.244 -0.164 1
1 610 . 4 1 1 A 59 59 HIS N N 59 117.346 116.438 0.908 1
1 611 . 4 1 1 A 60 60 ARG H H 60 7.995 7.966 0.029 1
1 612 . 4 1 1 A 60 60 ARG HA H 60 3.771 3.853 -0.082 1
1 619 . 4 1 1 A 60 60 ARG C C 60 178.684 178.691 -0.007 1
1 620 . 4 1 1 A 60 60 ARG CA C 60 60.646 59.556 1.090 1
1 621 . 4 1 1 A 60 60 ARG CB C 60 29.959 30.001 -0.042 1
1 624 . 4 1 1 A 60 60 ARG N N 60 120.640 121.923 -1.283 1
1 625 . 4 1 1 A 61 61 GLU H H 61 8.929 8.039 0.890 1
1 626 . 4 1 1 A 61 61 GLU HA H 61 4.046 4.148 -0.102 1
1 631 . 4 1 1 A 61 61 GLU C C 61 179.024 179.216 -0.192 1
1 632 . 4 1 1 A 61 61 GLU CA C 61 59.775 59.014 0.761 1
1 633 . 4 1 1 A 61 61 GLU CB C 61 28.926 29.369 -0.443 1
1 635 . 4 1 1 A 61 61 GLU N N 61 117.239 119.513 -2.274 1
1 636 . 4 1 1 A 62 62 GLU H H 62 8.182 8.036 0.146 1
1 637 . 4 1 1 A 62 62 GLU HA H 62 4.078 4.053 0.025 1
1 642 . 4 1 1 A 62 62 GLU C C 62 179.242 178.886 0.356 1
1 643 . 4 1 1 A 62 62 GLU CA C 62 59.317 59.102 0.215 1
1 644 . 4 1 1 A 62 62 GLU CB C 62 28.864 29.582 -0.718 1
1 646 . 4 1 1 A 62 62 GLU N N 62 120.004 119.987 0.017 1
1 647 . 4 1 1 A 63 63 LEU H H 63 7.849 8.296 -0.447 1
1 648 . 4 1 1 A 63 63 LEU HA H 63 4.158 4.031 0.127 1
1 658 . 4 1 1 A 63 63 LEU C C 63 179.679 178.986 0.693 1
1 659 . 4 1 1 A 63 63 LEU CA C 63 57.449 57.837 -0.388 1
1 660 . 4 1 1 A 63 63 LEU CB C 63 41.552 41.864 -0.312 1
1 664 . 4 1 1 A 63 63 LEU N N 63 119.191 120.263 -1.072 1
1 665 . 4 1 1 A 64 64 GLU H H 64 8.097 7.986 0.111 1
1 666 . 4 1 1 A 64 64 GLU HA H 64 4.113 4.011 0.102 1
1 671 . 4 1 1 A 64 64 GLU C C 64 178.951 179.381 -0.430 1
1 672 . 4 1 1 A 64 64 GLU CA C 64 58.480 59.922 -1.442 1
1 673 . 4 1 1 A 64 64 GLU CB C 64 29.548 29.500 0.048 1
1 675 . 4 1 1 A 64 64 GLU N N 64 118.834 117.537 1.297 1
1 676 . 4 1 1 A 65 65 LYS H H 65 7.854 8.192 -0.338 1
1 677 . 4 1 1 A 65 65 LYS HA H 65 4.197 4.150 0.047 1
1 685 . 4 1 1 A 65 65 LYS C C 65 177.713 178.029 -0.316 1
1 686 . 4 1 1 A 65 65 LYS CA C 65 58.154 59.088 -0.934 1
1 687 . 4 1 1 A 65 65 LYS CB C 65 32.614 32.052 0.562 1
1 691 . 4 1 1 A 65 65 LYS N N 65 119.350 121.496 -2.146 1
1 692 . 4 1 1 A 66 66 SER H H 66 7.816 7.759 0.057 1
1 693 . 4 1 1 A 66 66 SER HA H 66 4.457 4.592 -0.135 1
1 696 . 4 1 1 A 66 66 SER C C 66 174.751 173.525 1.226 1
1 697 . 4 1 1 A 66 66 SER CA C 66 58.864 58.405 0.459 1
1 698 . 4 1 1 A 66 66 SER CB C 66 64.180 63.729 0.451 1
1 699 . 4 1 1 A 66 66 SER N N 66 113.693 111.922 1.771 1
1 700 . 4 1 1 A 67 67 GLY H H 67 7.959 7.724 0.235 1
1 701 . 4 1 1 A 67 67 GLY HA2 H 67 4.036 3.849 0.187 1
1 702 . 4 1 1 A 67 67 GLY HA3 H 67 3.924 3.894 0.030 1
1 703 . 4 1 1 A 67 67 GLY C C 67 174.775 174.748 0.027 1
1 704 . 4 1 1 A 67 67 GLY CA C 67 45.678 47.056 -1.378 1
1 705 . 4 1 1 A 67 67 GLY N N 67 108.980 109.683 -0.703 1
1 706 . 4 1 1 A 68 68 HIS H H 68 8.148 8.433 -0.285 1
1 707 . 4 1 1 A 68 68 HIS HA H 68 4.861 4.730 0.131 1
1 712 . 4 1 1 A 68 68 HIS C C 68 176.159 176.117 0.042 1
1 713 . 4 1 1 A 68 68 HIS CA C 68 56.004 56.706 -0.702 1
1 714 . 4 1 1 A 68 68 HIS CB C 68 31.585 31.667 -0.082 1
1 717 . 4 1 1 A 68 68 HIS N N 68 119.127 116.515 2.612 1
1 718 . 4 1 1 A 69 69 GLY H H 69 8.610 8.310 0.300 1
1 719 . 4 1 1 A 69 69 GLY HA2 H 69 3.903 3.749 0.154 1
1 720 . 4 1 1 A 69 69 GLY HA3 H 69 3.903 3.759 0.144 1
1 721 . 4 1 1 A 69 69 GLY C C 69 174.290 174.088 0.202 1
1 722 . 4 1 1 A 69 69 GLY CA C 69 45.890 47.414 -1.524 1
1 723 . 4 1 1 A 69 69 GLY N N 69 109.663 107.982 1.681 1
1 724 . 4 1 1 A 70 70 GLN H H 70 8.325 8.461 -0.136 1
1 725 . 4 1 1 A 70 70 GLN HA H 70 4.396 4.491 -0.095 1
1 732 . 4 1 1 A 70 70 GLN C C 70 176.208 176.510 -0.302 1
1 733 . 4 1 1 A 70 70 GLN CA C 70 55.616 56.099 -0.483 1
1 734 . 4 1 1 A 70 70 GLN CB C 70 29.441 29.367 0.074 1
1 736 . 4 1 1 A 70 70 GLN N N 70 119.031 123.830 -4.799 1
1 738 . 4 1 1 A 71 71 SER HA H 71 4.466 4.216 0.250 1
1 741 . 4 1 1 A 71 71 SER C C 71 174.096 174.655 -0.559 1
1 742 . 4 1 1 A 71 71 SER CA C 71 58.506 59.943 -1.437 1
1 743 . 4 1 1 A 71 71 SER CB C 71 64.126 63.093 1.033 1
1 744 . 4 1 1 A 72 72 GLY H H 72 8.136 7.652 0.484 1
1 745 . 4 1 1 A 72 72 GLY HA2 H 72 3.776 4.158 -0.382 1
1 746 . 4 1 1 A 72 72 GLY HA3 H 72 3.703 4.183 -0.480 1
1 747 . 4 1 1 A 72 72 GLY C C 72 171.644 174.183 -2.539 1
1 748 . 4 1 1 A 72 72 GLY CA C 72 44.304 44.364 -0.060 1
1 749 . 4 1 1 A 72 72 GLY N N 72 110.082 108.653 1.429 1
1 750 . 4 1 1 A 73 73 PRO HA H 73 4.408 4.529 -0.121 1
1 757 . 4 1 1 A 73 73 PRO C C 73 175.067 176.340 -1.273 1
1 758 . 4 1 1 A 73 73 PRO CA C 73 63.151 63.912 -0.761 1
1 759 . 4 1 1 A 73 73 PRO CB C 73 32.225 31.695 0.530 1
1 763 . 4 1 1 A 74 74 SER CA C 74 58.647 60.411 -1.764 1
1 1 . 5 1 1 A 7 7 GLY HA2 H 7 4.246 4.302 -0.056 1
1 2 . 5 1 1 A 7 7 GLY HA3 H 7 4.111 4.379 -0.268 1
1 3 . 5 1 1 A 7 7 GLY CA C 7 46.145 45.843 0.302 1
1 4 . 5 1 1 A 8 8 SER HA H 8 4.472 4.644 -0.172 1
1 7 . 5 1 1 A 8 8 SER C C 8 175.844 176.351 -0.507 1
1 8 . 5 1 1 A 8 8 SER CA C 8 60.307 59.210 1.097 1
1 9 . 5 1 1 A 8 8 SER CB C 8 63.621 63.954 -0.333 1
1 10 . 5 1 1 A 9 9 GLU H H 9 9.766 8.252 1.514 1
1 11 . 5 1 1 A 9 9 GLU HA H 9 4.354 4.063 0.291 1
1 16 . 5 1 1 A 9 9 GLU C C 9 177.495 178.698 -1.203 1
1 17 . 5 1 1 A 9 9 GLU CA C 9 58.823 59.546 -0.723 1
1 18 . 5 1 1 A 9 9 GLU CB C 9 29.080 29.610 -0.530 1
1 20 . 5 1 1 A 9 9 GLU N N 9 124.626 122.218 2.408 1
1 21 . 5 1 1 A 10 10 ALA H H 10 7.788 7.966 -0.178 1
1 22 . 5 1 1 A 10 10 ALA HA H 10 3.387 3.710 -0.323 1
1 26 . 5 1 1 A 10 10 ALA C C 10 179.145 179.707 -0.562 1
1 27 . 5 1 1 A 10 10 ALA CA C 10 54.588 54.469 0.119 1
1 28 . 5 1 1 A 10 10 ALA CB C 10 17.451 17.043 0.408 1
1 29 . 5 1 1 A 10 10 ALA N N 10 120.412 121.242 -0.830 1
1 30 . 5 1 1 A 11 11 TRP H H 11 7.481 8.540 -1.059 1
1 31 . 5 1 1 A 11 11 TRP HA H 11 4.440 4.604 -0.164 1
1 40 . 5 1 1 A 11 11 TRP C C 11 177.373 179.097 -1.724 1
1 41 . 5 1 1 A 11 11 TRP CA C 11 59.460 59.742 -0.282 1
1 42 . 5 1 1 A 11 11 TRP CB C 11 29.033 29.307 -0.274 1
1 48 . 5 1 1 A 11 11 TRP N N 11 113.286 118.426 -5.140 1
1 50 . 5 1 1 A 12 12 GLU H H 12 7.771 9.004 -1.233 1
1 51 . 5 1 1 A 12 12 GLU HA H 12 4.100 4.034 0.066 1
1 56 . 5 1 1 A 12 12 GLU C C 12 177.543 176.929 0.614 1
1 57 . 5 1 1 A 12 12 GLU CA C 12 58.195 59.205 -1.010 1
1 58 . 5 1 1 A 12 12 GLU CB C 12 29.265 29.018 0.247 1
1 60 . 5 1 1 A 12 12 GLU N N 12 117.805 118.913 -1.108 1
1 61 . 5 1 1 A 13 13 TYR H H 13 7.748 8.273 -0.525 1
1 62 . 5 1 1 A 13 13 TYR HA H 13 4.181 4.551 -0.370 1
1 69 . 5 1 1 A 13 13 TYR C C 13 172.809 174.917 -2.108 1
1 70 . 5 1 1 A 13 13 TYR CA C 13 58.524 57.717 0.807 1
1 71 . 5 1 1 A 13 13 TYR CB C 13 40.503 38.399 2.104 1
1 76 . 5 1 1 A 13 13 TYR N N 13 114.665 115.800 -1.135 1
1 77 . 5 1 1 A 14 14 PHE H H 14 7.590 8.160 -0.570 1
1 78 . 5 1 1 A 14 14 PHE HA H 14 5.336 5.444 -0.108 1
1 86 . 5 1 1 A 14 14 PHE C C 14 174.508 174.750 -0.242 1
1 87 . 5 1 1 A 14 14 PHE CA C 14 56.895 56.634 0.261 1
1 88 . 5 1 1 A 14 14 PHE CB C 14 45.117 43.359 1.758 1
1 94 . 5 1 1 A 14 14 PHE N N 14 115.479 118.114 -2.635 1
1 95 . 5 1 1 A 15 15 HIS H H 15 9.046 9.405 -0.359 1
1 96 . 5 1 1 A 15 15 HIS HA H 15 5.111 5.647 -0.536 1
1 101 . 5 1 1 A 15 15 HIS C C 15 175.455 173.854 1.601 1
1 102 . 5 1 1 A 15 15 HIS CA C 15 54.841 53.984 0.857 1
1 103 . 5 1 1 A 15 15 HIS CB C 15 33.210 33.032 0.178 1
1 106 . 5 1 1 A 15 15 HIS N N 15 118.065 117.873 0.192 1
1 107 . 5 1 1 A 16 16 LEU H H 16 8.899 9.044 -0.145 1
1 108 . 5 1 1 A 16 16 LEU HA H 16 4.624 4.200 0.424 1
1 118 . 5 1 1 A 16 16 LEU C C 16 176.256 177.217 -0.961 1
1 119 . 5 1 1 A 16 16 LEU CA C 16 54.947 55.415 -0.468 1
1 120 . 5 1 1 A 16 16 LEU CB C 16 42.540 42.029 0.511 1
1 124 . 5 1 1 A 16 16 LEU N N 16 125.895 125.433 0.462 1
1 125 . 5 1 1 A 17 17 ALA H H 17 8.412 8.229 0.183 1
1 126 . 5 1 1 A 17 17 ALA HA H 17 4.574 5.006 -0.432 1
1 130 . 5 1 1 A 17 17 ALA C C 17 175.188 175.773 -0.585 1
1 131 . 5 1 1 A 17 17 ALA CA C 17 50.400 50.181 0.219 1
1 132 . 5 1 1 A 17 17 ALA CB C 17 18.205 19.732 -1.527 1
1 133 . 5 1 1 A 17 17 ALA N N 17 128.151 127.172 0.979 1
1 134 . 5 1 1 A 18 18 PRO HA H 18 4.373 4.519 -0.146 1
1 141 . 5 1 1 A 18 18 PRO C C 18 176.621 176.236 0.385 1
1 142 . 5 1 1 A 18 18 PRO CA C 18 62.911 62.461 0.450 1
1 143 . 5 1 1 A 18 18 PRO CB C 18 32.105 31.954 0.151 1
1 146 . 5 1 1 A 19 19 ALA H H 19 8.434 8.378 0.056 1
1 147 . 5 1 1 A 19 19 ALA HA H 19 4.300 4.161 0.139 1
1 151 . 5 1 1 A 19 19 ALA C C 19 177.834 176.702 1.132 1
1 152 . 5 1 1 A 19 19 ALA CA C 19 52.515 51.986 0.529 1
1 153 . 5 1 1 A 19 19 ALA CB C 19 19.359 18.180 1.179 1
1 154 . 5 1 1 A 19 19 ALA N N 19 125.267 125.628 -0.361 1
1 155 . 5 1 1 A 20 20 ARG H H 20 8.450 8.076 0.374 1
1 156 . 5 1 1 A 20 20 ARG HA H 20 4.366 4.580 -0.214 1
1 163 . 5 1 1 A 20 20 ARG C C 20 175.795 178.201 -2.406 1
1 164 . 5 1 1 A 20 20 ARG CA C 20 55.405 57.498 -2.093 1
1 165 . 5 1 1 A 20 20 ARG CB C 20 31.685 31.662 0.023 1
1 168 . 5 1 1 A 20 20 ARG N N 20 121.353 124.298 -2.945 1
1 169 . 5 1 1 A 21 21 ALA HA H 21 4.229 4.082 0.147 1
1 173 . 5 1 1 A 21 21 ALA CA C 21 53.263 54.909 -1.646 1
1 174 . 5 1 1 A 21 21 ALA CB C 21 18.577 19.164 -0.587 1
1 175 . 5 1 1 A 22 22 GLY C C 22 175.407 174.789 0.618 1
1 176 . 5 1 1 A 23 23 HIS HA H 23 4.768 4.635 0.133 1
1 181 . 5 1 1 A 23 23 HIS C C 23 178.611 174.910 3.701 1
1 182 . 5 1 1 A 23 23 HIS CA C 23 55.004 56.187 -1.183 1
1 183 . 5 1 1 A 23 23 HIS CB C 23 30.750 30.451 0.299 1
1 186 . 5 1 1 A 24 24 HIS HA H 24 4.673 4.563 0.110 1
1 191 . 5 1 1 A 24 24 HIS C C 24 179.801 174.793 5.008 1
1 192 . 5 1 1 A 24 24 HIS CA C 24 55.610 54.810 0.800 1
1 193 . 5 1 1 A 24 24 HIS CB C 24 31.802 29.904 1.898 1
1 196 . 5 1 1 A 25 25 PRO HA H 25 4.429 4.175 0.254 1
1 203 . 5 1 1 A 25 25 PRO C C 25 176.888 176.793 0.095 1
1 204 . 5 1 1 A 25 25 PRO CA C 25 63.902 63.140 0.762 1
1 205 . 5 1 1 A 25 25 PRO CB C 25 32.124 32.358 -0.234 1
1 208 . 5 1 1 A 26 26 ASN H H 26 9.047 8.489 0.558 1
1 209 . 5 1 1 A 26 26 ASN HA H 26 4.788 4.474 0.314 1
1 214 . 5 1 1 A 26 26 ASN C C 26 175.140 175.725 -0.585 1
1 215 . 5 1 1 A 26 26 ASN CA C 26 53.185 54.372 -1.187 1
1 216 . 5 1 1 A 26 26 ASN CB C 26 38.696 38.039 0.657 1
1 217 . 5 1 1 A 26 26 ASN N N 26 118.042 119.576 -1.534 1
1 219 . 5 1 1 A 27 27 GLN H H 27 8.231 7.821 0.410 1
1 220 . 5 1 1 A 27 27 GLN HA H 27 4.226 4.180 0.046 1
1 227 . 5 1 1 A 27 27 GLN C C 27 175.212 174.582 0.630 1
1 228 . 5 1 1 A 27 27 GLN CA C 27 57.149 58.318 -1.169 1
1 229 . 5 1 1 A 27 27 GLN CB C 27 29.741 29.620 0.121 1
1 231 . 5 1 1 A 27 27 GLN N N 27 119.679 119.222 0.457 1
1 233 . 5 1 1 A 28 28 TYR H H 28 8.059 7.934 0.125 1
1 234 . 5 1 1 A 28 28 TYR HA H 28 5.109 5.277 -0.168 1
1 241 . 5 1 1 A 28 28 TYR C C 28 174.290 175.066 -0.776 1
1 242 . 5 1 1 A 28 28 TYR CA C 28 56.779 57.156 -0.377 1
1 243 . 5 1 1 A 28 28 TYR CB C 28 41.333 41.783 -0.450 1
1 248 . 5 1 1 A 28 28 TYR N N 28 116.269 115.520 0.749 1
1 249 . 5 1 1 A 29 29 ALA H H 29 8.837 9.108 -0.271 1
1 250 . 5 1 1 A 29 29 ALA HA H 29 5.054 5.257 -0.203 1
1 254 . 5 1 1 A 29 29 ALA C C 29 175.795 175.822 -0.027 1
1 255 . 5 1 1 A 29 29 ALA CA C 29 50.612 50.177 0.435 1
1 256 . 5 1 1 A 29 29 ALA CB C 29 23.046 20.421 2.625 1
1 257 . 5 1 1 A 29 29 ALA N N 29 123.222 124.212 -0.990 1
1 258 . 5 1 1 A 30 30 THR H H 30 9.217 8.981 0.236 1
1 259 . 5 1 1 A 30 30 THR HA H 30 4.828 4.652 0.176 1
1 264 . 5 1 1 A 30 30 THR C C 30 173.659 174.232 -0.573 1
1 265 . 5 1 1 A 30 30 THR CA C 30 62.383 61.868 0.515 1
1 266 . 5 1 1 A 30 30 THR CB C 30 70.058 69.102 0.956 1
1 268 . 5 1 1 A 30 30 THR N N 30 119.265 117.972 1.293 1
1 269 . 5 1 1 A 31 31 CYS H H 31 8.927 8.580 0.347 1
1 270 . 5 1 1 A 31 31 CYS HA H 31 3.606 3.870 -0.264 1
1 273 . 5 1 1 A 31 31 CYS C C 31 177.956 175.180 2.776 1
1 274 . 5 1 1 A 31 31 CYS CA C 31 59.743 59.793 -0.050 1
1 275 . 5 1 1 A 31 31 CYS CB C 31 29.971 28.402 1.569 1
1 276 . 5 1 1 A 31 31 CYS N N 31 130.893 126.699 4.194 1
1 277 . 5 1 1 A 32 32 ARG H H 32 9.393 9.219 0.174 1
1 278 . 5 1 1 A 32 32 ARG HA H 32 4.043 4.380 -0.337 1
1 285 . 5 1 1 A 32 32 ARG C C 32 176.693 176.848 -0.155 1
1 286 . 5 1 1 A 32 32 ARG CA C 32 58.471 56.894 1.577 1
1 287 . 5 1 1 A 32 32 ARG CB C 32 30.553 30.153 0.400 1
1 290 . 5 1 1 A 32 32 ARG N N 32 130.594 127.869 2.725 1
1 291 . 5 1 1 A 33 33 LEU H H 33 9.135 7.069 2.066 1
1 292 . 5 1 1 A 33 33 LEU HA H 33 4.243 4.133 0.110 1
1 302 . 5 1 1 A 33 33 LEU C C 33 178.150 178.396 -0.246 1
1 303 . 5 1 1 A 33 33 LEU CA C 33 56.709 56.973 -0.264 1
1 304 . 5 1 1 A 33 33 LEU CB C 33 41.387 43.076 -1.689 1
1 308 . 5 1 1 A 33 33 LEU N N 33 121.037 117.760 3.277 1
1 309 . 5 1 1 A 34 34 CYS H H 34 8.186 7.966 0.220 1
1 310 . 5 1 1 A 34 34 CYS HA H 34 5.200 4.731 0.469 1
1 313 . 5 1 1 A 34 34 CYS C C 34 176.329 175.783 0.546 1
1 314 . 5 1 1 A 34 34 CYS CA C 34 58.365 59.267 -0.902 1
1 315 . 5 1 1 A 34 34 CYS CB C 34 32.799 30.383 2.416 1
1 316 . 5 1 1 A 34 34 CYS N N 34 115.308 113.476 1.832 1
1 317 . 5 1 1 A 35 35 GLY H H 35 8.027 8.235 -0.208 1
1 318 . 5 1 1 A 35 35 GLY HA2 H 35 3.808 3.996 -0.188 1
1 319 . 5 1 1 A 35 35 GLY HA3 H 35 4.196 4.021 0.175 1
1 320 . 5 1 1 A 35 35 GLY C C 35 173.683 174.280 -0.597 1
1 321 . 5 1 1 A 35 35 GLY CA C 35 46.313 45.404 0.909 1
1 322 . 5 1 1 A 35 35 GLY N N 35 113.546 110.298 3.248 1
1 323 . 5 1 1 A 36 36 ARG H H 36 8.272 7.139 1.133 1
1 324 . 5 1 1 A 36 36 ARG HA H 36 4.273 4.334 -0.061 1
1 331 . 5 1 1 A 36 36 ARG C C 36 175.625 175.814 -0.189 1
1 332 . 5 1 1 A 36 36 ARG CA C 36 56.774 55.627 1.147 1
1 333 . 5 1 1 A 36 36 ARG CB C 36 31.112 31.228 -0.116 1
1 336 . 5 1 1 A 36 36 ARG N N 36 121.138 119.714 1.424 1
1 337 . 5 1 1 A 37 37 GLN H H 37 8.509 8.678 -0.169 1
1 338 . 5 1 1 A 37 37 GLN HA H 37 4.888 4.807 0.081 1
1 345 . 5 1 1 A 37 37 GLN C C 37 176.184 175.413 0.771 1
1 346 . 5 1 1 A 37 37 GLN CA C 37 55.475 55.992 -0.517 1
1 347 . 5 1 1 A 37 37 GLN CB C 37 29.426 29.397 0.029 1
1 349 . 5 1 1 A 37 37 GLN N N 37 120.322 122.021 -1.699 1
1 351 . 5 1 1 A 38 38 VAL H H 38 9.281 9.099 0.182 1
1 352 . 5 1 1 A 38 38 VAL HA H 38 4.216 4.569 -0.353 1
1 360 . 5 1 1 A 38 38 VAL C C 38 174.848 175.446 -0.598 1
1 361 . 5 1 1 A 38 38 VAL CA C 38 61.243 60.774 0.469 1
1 362 . 5 1 1 A 38 38 VAL CB C 38 34.146 34.859 -0.713 1
1 365 . 5 1 1 A 38 38 VAL N N 38 125.546 125.422 0.124 1
1 366 . 5 1 1 A 39 39 SER H H 39 8.590 8.498 0.092 1
1 367 . 5 1 1 A 39 39 SER HA H 39 4.348 4.459 -0.111 1
1 370 . 5 1 1 A 39 39 SER C C 39 174.800 174.363 0.437 1
1 371 . 5 1 1 A 39 39 SER CA C 39 57.731 56.230 1.501 1
1 372 . 5 1 1 A 39 39 SER CB C 39 64.121 65.273 -1.152 1
1 373 . 5 1 1 A 39 39 SER N N 39 120.236 120.709 -0.473 1
1 374 . 5 1 1 A 40 40 ARG H H 40 8.684 8.148 0.536 1
1 375 . 5 1 1 A 40 40 ARG HA H 40 4.189 4.498 -0.309 1
1 382 . 5 1 1 A 40 40 ARG C C 40 176.062 176.235 -0.173 1
1 383 . 5 1 1 A 40 40 ARG CA C 40 56.674 55.906 0.768 1
1 384 . 5 1 1 A 40 40 ARG CB C 40 31.302 32.146 -0.844 1
1 387 . 5 1 1 A 40 40 ARG N N 40 123.390 119.169 4.221 1
1 388 . 5 1 1 A 41 41 GLY H H 41 7.970 7.986 -0.016 1
1 389 . 5 1 1 A 41 41 GLY HA2 H 41 3.920 4.152 -0.232 1
1 390 . 5 1 1 A 41 41 GLY HA3 H 41 4.216 4.181 0.035 1
1 391 . 5 1 1 A 41 41 GLY C C 41 171.037 173.589 -2.552 1
1 392 . 5 1 1 A 41 41 GLY CA C 41 44.269 44.430 -0.161 1
1 393 . 5 1 1 A 41 41 GLY N N 41 107.997 108.633 -0.636 1
1 394 . 5 1 1 A 42 42 PRO HA H 42 4.462 4.297 0.165 1
1 401 . 5 1 1 A 42 42 PRO C C 42 176.451 177.281 -0.830 1
1 402 . 5 1 1 A 42 42 PRO CA C 42 63.179 63.197 -0.018 1
1 403 . 5 1 1 A 42 42 PRO CB C 42 32.144 32.522 -0.378 1
1 406 . 5 1 1 A 43 43 GLY H H 43 8.388 9.030 -0.642 1
1 407 . 5 1 1 A 43 43 GLY HA2 H 43 4.065 3.831 0.234 1
1 408 . 5 1 1 A 43 43 GLY HA3 H 43 3.808 3.837 -0.029 1
1 409 . 5 1 1 A 43 43 GLY CA C 43 45.278 47.021 -1.743 1
1 410 . 5 1 1 A 43 43 GLY N N 43 109.409 111.035 -1.626 1
1 411 . 5 1 1 A 44 44 VAL H H 44 7.913 7.846 0.067 1
1 412 . 5 1 1 A 44 44 VAL HA H 44 4.107 4.696 -0.589 1
1 420 . 5 1 1 A 44 44 VAL CA C 44 62.352 59.571 2.781 1
1 421 . 5 1 1 A 44 44 VAL CB C 44 32.777 35.230 -2.453 1
1 424 . 5 1 1 A 44 44 VAL N N 44 117.689 119.522 -1.833 1
1 425 . 5 1 1 A 45 45 ASN HA H 45 4.713 4.560 0.153 1
1 430 . 5 1 1 A 45 45 ASN CA C 45 53.201 54.143 -0.942 1
1 431 . 5 1 1 A 45 45 ASN CB C 45 38.671 38.108 0.563 1
1 433 . 5 1 1 A 46 46 VAL H H 46 7.994 8.046 -0.052 1
1 434 . 5 1 1 A 46 46 VAL HA H 46 4.148 4.030 0.118 1
1 439 . 5 1 1 A 46 46 VAL C C 46 177.834 177.097 0.737 1
1 440 . 5 1 1 A 46 46 VAL CA C 46 62.726 64.044 -1.318 1
1 441 . 5 1 1 A 46 46 VAL CB C 46 32.476 33.208 -0.732 1
1 443 . 5 1 1 A 46 46 VAL N N 46 118.432 117.162 1.270 1
1 444 . 5 1 1 A 47 47 GLY HA2 H 47 3.702 4.088 -0.386 1
1 445 . 5 1 1 A 47 47 GLY HA3 H 47 4.104 4.089 0.015 1
1 446 . 5 1 1 A 47 47 GLY C C 47 173.950 173.635 0.315 1
1 447 . 5 1 1 A 47 47 GLY CA C 47 45.202 46.005 -0.803 1
1 448 . 5 1 1 A 48 48 THR H H 48 8.238 8.239 -0.001 1
1 449 . 5 1 1 A 48 48 THR HA H 48 4.066 4.442 -0.376 1
1 454 . 5 1 1 A 48 48 THR C C 48 175.919 174.110 1.809 1
1 455 . 5 1 1 A 48 48 THR CA C 48 67.178 61.419 5.759 1
1 456 . 5 1 1 A 48 48 THR CB C 48 68.681 68.462 0.219 1
1 458 . 5 1 1 A 48 48 THR N N 48 118.267 112.638 5.629 1
1 459 . 5 1 1 A 49 49 THR HA H 49 3.981 4.139 -0.158 1
1 464 . 5 1 1 A 49 49 THR CA C 49 62.689 64.292 -1.603 1
1 465 . 5 1 1 A 49 49 THR CB C 49 69.410 69.576 -0.166 1
1 467 . 5 1 1 A 50 50 ALA HA H 50 4.091 3.906 0.185 1
1 471 . 5 1 1 A 50 50 ALA C C 50 180.456 179.571 0.885 1
1 472 . 5 1 1 A 50 50 ALA CA C 50 55.053 55.426 -0.373 1
1 473 . 5 1 1 A 50 50 ALA CB C 50 18.859 18.336 0.523 1
1 474 . 5 1 1 A 51 51 LEU H H 51 7.042 7.606 -0.564 1
1 475 . 5 1 1 A 51 51 LEU HA H 51 3.446 3.319 0.127 1
1 485 . 5 1 1 A 51 51 LEU C C 51 179.170 179.023 0.147 1
1 486 . 5 1 1 A 51 51 LEU CA C 51 57.395 57.442 -0.047 1
1 487 . 5 1 1 A 51 51 LEU CB C 51 39.050 41.126 -2.076 1
1 491 . 5 1 1 A 51 51 LEU N N 51 117.051 117.967 -0.916 1
1 492 . 5 1 1 A 52 52 TRP H H 52 7.992 8.332 -0.340 1
1 493 . 5 1 1 A 52 52 TRP HA H 52 4.412 4.255 0.157 1
1 502 . 5 1 1 A 52 52 TRP C C 52 178.636 178.902 -0.266 1
1 503 . 5 1 1 A 52 52 TRP CA C 52 60.762 60.097 0.665 1
1 504 . 5 1 1 A 52 52 TRP CB C 52 29.830 29.413 0.417 1
1 510 . 5 1 1 A 52 52 TRP N N 52 118.438 118.902 -0.464 1
1 512 . 5 1 1 A 53 53 LYS H H 53 8.239 8.224 0.015 1
1 513 . 5 1 1 A 53 53 LYS HA H 53 4.077 4.028 0.049 1
1 522 . 5 1 1 A 53 53 LYS C C 53 179.777 178.984 0.793 1
1 523 . 5 1 1 A 53 53 LYS CA C 53 59.864 59.361 0.503 1
1 524 . 5 1 1 A 53 53 LYS CB C 53 32.077 32.422 -0.345 1
1 528 . 5 1 1 A 53 53 LYS N N 53 118.342 118.681 -0.339 1
1 529 . 5 1 1 A 54 54 HIS H H 54 7.592 7.913 -0.321 1
1 530 . 5 1 1 A 54 54 HIS HA H 54 4.351 4.369 -0.018 1
1 535 . 5 1 1 A 54 54 HIS C C 54 176.499 177.475 -0.976 1
1 536 . 5 1 1 A 54 54 HIS CA C 54 60.409 59.554 0.855 1
1 537 . 5 1 1 A 54 54 HIS CB C 54 28.701 30.403 -1.702 1
1 540 . 5 1 1 A 54 54 HIS N N 54 117.948 120.083 -2.135 1
1 541 . 5 1 1 A 55 55 LEU H H 55 8.223 8.686 -0.463 1
1 542 . 5 1 1 A 55 55 LEU HA H 55 3.829 3.899 -0.070 1
1 552 . 5 1 1 A 55 55 LEU C C 55 178.587 179.170 -0.583 1
1 553 . 5 1 1 A 55 55 LEU CA C 55 58.492 58.093 0.399 1
1 554 . 5 1 1 A 55 55 LEU CB C 55 42.293 41.424 0.869 1
1 558 . 5 1 1 A 55 55 LEU N N 55 118.224 119.396 -1.172 1
1 559 . 5 1 1 A 56 56 LYS H H 56 8.795 8.589 0.206 1
1 560 . 5 1 1 A 56 56 LYS HA H 56 3.823 4.262 -0.439 1
1 569 . 5 1 1 A 56 56 LYS C C 56 177.664 178.341 -0.677 1
1 570 . 5 1 1 A 56 56 LYS CA C 56 58.999 58.306 0.693 1
1 571 . 5 1 1 A 56 56 LYS CB C 56 32.395 32.235 0.160 1
1 575 . 5 1 1 A 56 56 LYS N N 56 115.460 117.794 -2.334 1
1 576 . 5 1 1 A 57 57 SER H H 57 7.600 7.831 -0.231 1
1 577 . 5 1 1 A 57 57 SER HA H 57 4.353 4.281 0.072 1
1 580 . 5 1 1 A 57 57 SER C C 57 176.451 175.460 0.991 1
1 581 . 5 1 1 A 57 57 SER CA C 57 60.480 61.080 -0.600 1
1 582 . 5 1 1 A 57 57 SER CB C 57 63.879 63.321 0.558 1
1 583 . 5 1 1 A 57 57 SER N N 57 110.773 114.891 -4.118 1
1 584 . 5 1 1 A 58 58 MET H H 58 7.685 7.656 0.029 1
1 585 . 5 1 1 A 58 58 MET HA H 58 4.555 4.558 -0.003 1
1 593 . 5 1 1 A 58 58 MET C C 58 176.645 177.136 -0.491 1
1 594 . 5 1 1 A 58 58 MET CA C 58 55.158 55.401 -0.243 1
1 595 . 5 1 1 A 58 58 MET CB C 58 32.427 34.300 -1.873 1
1 598 . 5 1 1 A 58 58 MET N N 58 115.874 116.196 -0.322 1
1 599 . 5 1 1 A 59 59 HIS H H 59 7.685 7.817 -0.132 1
1 600 . 5 1 1 A 59 59 HIS HA H 59 5.357 4.701 0.656 1
1 605 . 5 1 1 A 59 59 HIS C C 59 175.140 175.567 -0.427 1
1 606 . 5 1 1 A 59 59 HIS CA C 59 53.114 55.606 -2.492 1
1 607 . 5 1 1 A 59 59 HIS CB C 59 29.080 29.198 -0.118 1
1 610 . 5 1 1 A 59 59 HIS N N 59 117.346 116.601 0.745 1
1 611 . 5 1 1 A 60 60 ARG H H 60 7.995 7.966 0.029 1
1 612 . 5 1 1 A 60 60 ARG HA H 60 3.771 3.829 -0.058 1
1 619 . 5 1 1 A 60 60 ARG C C 60 178.684 178.688 -0.004 1
1 620 . 5 1 1 A 60 60 ARG CA C 60 60.646 59.568 1.078 1
1 621 . 5 1 1 A 60 60 ARG CB C 60 29.959 30.002 -0.043 1
1 624 . 5 1 1 A 60 60 ARG N N 60 120.640 121.935 -1.295 1
1 625 . 5 1 1 A 61 61 GLU H H 61 8.929 8.038 0.891 1
1 626 . 5 1 1 A 61 61 GLU HA H 61 4.046 4.140 -0.094 1
1 631 . 5 1 1 A 61 61 GLU C C 61 179.024 179.335 -0.311 1
1 632 . 5 1 1 A 61 61 GLU CA C 61 59.775 58.911 0.864 1
1 633 . 5 1 1 A 61 61 GLU CB C 61 28.926 29.329 -0.403 1
1 635 . 5 1 1 A 61 61 GLU N N 61 117.239 119.503 -2.264 1
1 636 . 5 1 1 A 62 62 GLU H H 62 8.182 8.037 0.145 1
1 637 . 5 1 1 A 62 62 GLU HA H 62 4.078 4.068 0.010 1
1 642 . 5 1 1 A 62 62 GLU C C 62 179.242 179.374 -0.132 1
1 643 . 5 1 1 A 62 62 GLU CA C 62 59.317 59.184 0.133 1
1 644 . 5 1 1 A 62 62 GLU CB C 62 28.864 29.631 -0.767 1
1 646 . 5 1 1 A 62 62 GLU N N 62 120.004 119.903 0.101 1
1 647 . 5 1 1 A 63 63 LEU H H 63 7.849 8.392 -0.543 1
1 648 . 5 1 1 A 63 63 LEU HA H 63 4.158 3.931 0.227 1
1 658 . 5 1 1 A 63 63 LEU C C 63 179.679 179.012 0.667 1
1 659 . 5 1 1 A 63 63 LEU CA C 63 57.449 57.975 -0.526 1
1 660 . 5 1 1 A 63 63 LEU CB C 63 41.552 41.691 -0.139 1
1 664 . 5 1 1 A 63 63 LEU N N 63 119.191 120.305 -1.114 1
1 665 . 5 1 1 A 64 64 GLU H H 64 8.097 8.033 0.064 1
1 666 . 5 1 1 A 64 64 GLU HA H 64 4.113 3.981 0.132 1
1 671 . 5 1 1 A 64 64 GLU C C 64 178.951 179.378 -0.427 1
1 672 . 5 1 1 A 64 64 GLU CA C 64 58.480 59.927 -1.447 1
1 673 . 5 1 1 A 64 64 GLU CB C 64 29.548 29.469 0.079 1
1 675 . 5 1 1 A 64 64 GLU N N 64 118.834 117.686 1.148 1
1 676 . 5 1 1 A 65 65 LYS H H 65 7.854 7.991 -0.137 1
1 677 . 5 1 1 A 65 65 LYS HA H 65 4.197 4.087 0.110 1
1 685 . 5 1 1 A 65 65 LYS C C 65 177.713 177.891 -0.178 1
1 686 . 5 1 1 A 65 65 LYS CA C 65 58.154 59.633 -1.479 1
1 687 . 5 1 1 A 65 65 LYS CB C 65 32.614 32.258 0.356 1
1 691 . 5 1 1 A 65 65 LYS N N 65 119.350 120.717 -1.367 1
1 692 . 5 1 1 A 66 66 SER H H 66 7.816 7.655 0.161 1
1 693 . 5 1 1 A 66 66 SER HA H 66 4.457 4.576 -0.119 1
1 696 . 5 1 1 A 66 66 SER C C 66 174.751 176.047 -1.296 1
1 697 . 5 1 1 A 66 66 SER CA C 66 58.864 58.509 0.355 1
1 698 . 5 1 1 A 66 66 SER CB C 66 64.180 65.068 -0.888 1
1 699 . 5 1 1 A 66 66 SER N N 66 113.693 114.760 -1.067 1
1 700 . 5 1 1 A 67 67 GLY H H 67 7.959 8.725 -0.766 1
1 701 . 5 1 1 A 67 67 GLY HA2 H 67 4.036 3.718 0.318 1
1 702 . 5 1 1 A 67 67 GLY HA3 H 67 3.924 3.804 0.120 1
1 703 . 5 1 1 A 67 67 GLY C C 67 174.775 175.427 -0.652 1
1 704 . 5 1 1 A 67 67 GLY CA C 67 45.678 47.303 -1.625 1
1 705 . 5 1 1 A 67 67 GLY N N 67 108.980 112.078 -3.098 1
1 706 . 5 1 1 A 68 68 HIS H H 68 8.148 7.699 0.449 1
1 707 . 5 1 1 A 68 68 HIS HA H 68 4.861 4.441 0.420 1
1 712 . 5 1 1 A 68 68 HIS C C 68 176.159 175.155 1.004 1
1 713 . 5 1 1 A 68 68 HIS CA C 68 56.004 56.718 -0.714 1
1 714 . 5 1 1 A 68 68 HIS CB C 68 31.585 29.831 1.754 1
1 717 . 5 1 1 A 68 68 HIS N N 68 119.127 118.549 0.578 1
1 718 . 5 1 1 A 69 69 GLY H H 69 8.610 8.704 -0.094 1
1 719 . 5 1 1 A 69 69 GLY HA2 H 69 3.903 4.215 -0.312 1
1 720 . 5 1 1 A 69 69 GLY HA3 H 69 3.903 4.240 -0.337 1
1 721 . 5 1 1 A 69 69 GLY C C 69 174.290 174.891 -0.601 1
1 722 . 5 1 1 A 69 69 GLY CA C 69 45.890 44.190 1.700 1
1 723 . 5 1 1 A 69 69 GLY N N 69 109.663 111.396 -1.733 1
1 724 . 5 1 1 A 70 70 GLN H H 70 8.325 8.768 -0.443 1
1 725 . 5 1 1 A 70 70 GLN HA H 70 4.396 3.999 0.397 1
1 732 . 5 1 1 A 70 70 GLN C C 70 176.208 175.171 1.037 1
1 733 . 5 1 1 A 70 70 GLN CA C 70 55.616 56.624 -1.008 1
1 734 . 5 1 1 A 70 70 GLN CB C 70 29.441 26.491 2.950 1
1 736 . 5 1 1 A 70 70 GLN N N 70 119.031 124.874 -5.843 1
1 738 . 5 1 1 A 71 71 SER HA H 71 4.466 4.112 0.354 1
1 741 . 5 1 1 A 71 71 SER C C 71 174.096 174.665 -0.569 1
1 742 . 5 1 1 A 71 71 SER CA C 71 58.506 60.493 -1.987 1
1 743 . 5 1 1 A 71 71 SER CB C 71 64.126 62.362 1.764 1
1 744 . 5 1 1 A 72 72 GLY H H 72 8.136 8.193 -0.057 1
1 745 . 5 1 1 A 72 72 GLY HA2 H 72 3.776 4.072 -0.296 1
1 746 . 5 1 1 A 72 72 GLY HA3 H 72 3.703 4.074 -0.371 1
1 747 . 5 1 1 A 72 72 GLY C C 72 171.644 171.901 -0.257 1
1 748 . 5 1 1 A 72 72 GLY CA C 72 44.304 44.807 -0.503 1
1 749 . 5 1 1 A 72 72 GLY N N 72 110.082 111.614 -1.532 1
1 750 . 5 1 1 A 73 73 PRO HA H 73 4.408 4.535 -0.127 1
1 757 . 5 1 1 A 73 73 PRO C C 73 175.067 176.653 -1.586 1
1 758 . 5 1 1 A 73 73 PRO CA C 73 63.151 62.706 0.445 1
1 759 . 5 1 1 A 73 73 PRO CB C 73 32.225 32.136 0.089 1
1 763 . 5 1 1 A 74 74 SER CA C 74 58.647 56.987 1.660 1
1 1 . 6 1 1 A 7 7 GLY HA2 H 7 4.246 4.002 0.244 1
1 2 . 6 1 1 A 7 7 GLY HA3 H 7 4.111 4.004 0.107 1
1 3 . 6 1 1 A 7 7 GLY CA C 7 46.145 47.291 -1.146 1
1 4 . 6 1 1 A 8 8 SER HA H 8 4.472 4.414 0.058 1
1 7 . 6 1 1 A 8 8 SER C C 8 175.844 174.582 1.262 1
1 8 . 6 1 1 A 8 8 SER CA C 8 60.307 59.288 1.019 1
1 9 . 6 1 1 A 8 8 SER CB C 8 63.621 61.318 2.303 1
1 10 . 6 1 1 A 9 9 GLU H H 9 9.766 8.392 1.374 1
1 11 . 6 1 1 A 9 9 GLU HA H 9 4.354 4.462 -0.108 1
1 16 . 6 1 1 A 9 9 GLU C C 9 177.495 178.984 -1.489 1
1 17 . 6 1 1 A 9 9 GLU CA C 9 58.823 58.701 0.122 1
1 18 . 6 1 1 A 9 9 GLU CB C 9 29.080 29.985 -0.905 1
1 20 . 6 1 1 A 9 9 GLU N N 9 124.626 121.423 3.203 1
1 21 . 6 1 1 A 10 10 ALA H H 10 7.788 8.146 -0.358 1
1 22 . 6 1 1 A 10 10 ALA HA H 10 3.387 3.723 -0.336 1
1 26 . 6 1 1 A 10 10 ALA C C 10 179.145 179.618 -0.473 1
1 27 . 6 1 1 A 10 10 ALA CA C 10 54.588 54.465 0.123 1
1 28 . 6 1 1 A 10 10 ALA CB C 10 17.451 17.201 0.250 1
1 29 . 6 1 1 A 10 10 ALA N N 10 120.412 120.681 -0.269 1
1 30 . 6 1 1 A 11 11 TRP H H 11 7.481 8.014 -0.533 1
1 31 . 6 1 1 A 11 11 TRP HA H 11 4.440 4.629 -0.189 1
1 40 . 6 1 1 A 11 11 TRP C C 11 177.373 179.179 -1.806 1
1 41 . 6 1 1 A 11 11 TRP CA C 11 59.460 59.754 -0.294 1
1 42 . 6 1 1 A 11 11 TRP CB C 11 29.033 29.232 -0.199 1
1 48 . 6 1 1 A 11 11 TRP N N 11 113.286 118.017 -4.731 1
1 50 . 6 1 1 A 12 12 GLU H H 12 7.771 8.977 -1.206 1
1 51 . 6 1 1 A 12 12 GLU HA H 12 4.100 4.029 0.071 1
1 56 . 6 1 1 A 12 12 GLU C C 12 177.543 177.123 0.420 1
1 57 . 6 1 1 A 12 12 GLU CA C 12 58.195 59.414 -1.219 1
1 58 . 6 1 1 A 12 12 GLU CB C 12 29.265 28.955 0.310 1
1 60 . 6 1 1 A 12 12 GLU N N 12 117.805 119.005 -1.200 1
1 61 . 6 1 1 A 13 13 TYR H H 13 7.748 8.258 -0.510 1
1 62 . 6 1 1 A 13 13 TYR HA H 13 4.181 4.498 -0.317 1
1 69 . 6 1 1 A 13 13 TYR C C 13 172.809 174.786 -1.977 1
1 70 . 6 1 1 A 13 13 TYR CA C 13 58.524 57.491 1.033 1
1 71 . 6 1 1 A 13 13 TYR CB C 13 40.503 38.353 2.150 1
1 76 . 6 1 1 A 13 13 TYR N N 13 114.665 115.755 -1.090 1
1 77 . 6 1 1 A 14 14 PHE H H 14 7.590 8.151 -0.561 1
1 78 . 6 1 1 A 14 14 PHE HA H 14 5.336 5.529 -0.193 1
1 86 . 6 1 1 A 14 14 PHE C C 14 174.508 174.703 -0.195 1
1 87 . 6 1 1 A 14 14 PHE CA C 14 56.895 56.562 0.333 1
1 88 . 6 1 1 A 14 14 PHE CB C 14 45.117 43.413 1.704 1
1 94 . 6 1 1 A 14 14 PHE N N 14 115.479 118.762 -3.283 1
1 95 . 6 1 1 A 15 15 HIS H H 15 9.046 9.331 -0.285 1
1 96 . 6 1 1 A 15 15 HIS HA H 15 5.111 5.551 -0.440 1
1 101 . 6 1 1 A 15 15 HIS C C 15 175.455 173.430 2.025 1
1 102 . 6 1 1 A 15 15 HIS CA C 15 54.841 53.879 0.962 1
1 103 . 6 1 1 A 15 15 HIS CB C 15 33.210 32.961 0.249 1
1 106 . 6 1 1 A 15 15 HIS N N 15 118.065 117.750 0.315 1
1 107 . 6 1 1 A 16 16 LEU H H 16 8.899 8.906 -0.007 1
1 108 . 6 1 1 A 16 16 LEU HA H 16 4.624 4.154 0.470 1
1 118 . 6 1 1 A 16 16 LEU C C 16 176.256 177.626 -1.370 1
1 119 . 6 1 1 A 16 16 LEU CA C 16 54.947 55.151 -0.204 1
1 120 . 6 1 1 A 16 16 LEU CB C 16 42.540 42.144 0.396 1
1 124 . 6 1 1 A 16 16 LEU N N 16 125.895 124.731 1.164 1
1 125 . 6 1 1 A 17 17 ALA H H 17 8.412 8.050 0.362 1
1 126 . 6 1 1 A 17 17 ALA HA H 17 4.574 4.932 -0.358 1
1 130 . 6 1 1 A 17 17 ALA C C 17 175.188 175.662 -0.474 1
1 131 . 6 1 1 A 17 17 ALA CA C 17 50.400 50.493 -0.093 1
1 132 . 6 1 1 A 17 17 ALA CB C 17 18.205 19.113 -0.908 1
1 133 . 6 1 1 A 17 17 ALA N N 17 128.151 127.027 1.124 1
1 134 . 6 1 1 A 18 18 PRO HA H 18 4.373 4.603 -0.230 1
1 141 . 6 1 1 A 18 18 PRO C C 18 176.621 176.233 0.388 1
1 142 . 6 1 1 A 18 18 PRO CA C 18 62.911 62.456 0.455 1
1 143 . 6 1 1 A 18 18 PRO CB C 18 32.105 32.478 -0.373 1
1 146 . 6 1 1 A 19 19 ALA H H 19 8.434 8.564 -0.130 1
1 147 . 6 1 1 A 19 19 ALA HA H 19 4.300 4.652 -0.352 1
1 151 . 6 1 1 A 19 19 ALA C C 19 177.834 177.009 0.825 1
1 152 . 6 1 1 A 19 19 ALA CA C 19 52.515 51.090 1.425 1
1 153 . 6 1 1 A 19 19 ALA CB C 19 19.359 21.388 -2.029 1
1 154 . 6 1 1 A 19 19 ALA N N 19 125.267 124.934 0.333 1
1 155 . 6 1 1 A 20 20 ARG H H 20 8.450 8.800 -0.350 1
1 156 . 6 1 1 A 20 20 ARG HA H 20 4.366 4.429 -0.063 1
1 163 . 6 1 1 A 20 20 ARG C C 20 175.795 176.738 -0.943 1
1 164 . 6 1 1 A 20 20 ARG CA C 20 55.405 57.555 -2.150 1
1 165 . 6 1 1 A 20 20 ARG CB C 20 31.685 31.272 0.413 1
1 168 . 6 1 1 A 20 20 ARG N N 20 121.353 121.364 -0.011 1
1 169 . 6 1 1 A 21 21 ALA HA H 21 4.229 4.373 -0.144 1
1 173 . 6 1 1 A 21 21 ALA CA C 21 53.263 51.571 1.692 1
1 174 . 6 1 1 A 21 21 ALA CB C 21 18.577 20.227 -1.650 1
1 175 . 6 1 1 A 22 22 GLY C C 22 175.407 175.606 -0.199 1
1 176 . 6 1 1 A 23 23 HIS HA H 23 4.768 4.443 0.325 1
1 181 . 6 1 1 A 23 23 HIS C C 23 178.611 175.168 3.443 1
1 182 . 6 1 1 A 23 23 HIS CA C 23 55.004 57.762 -2.758 1
1 183 . 6 1 1 A 23 23 HIS CB C 23 30.750 30.216 0.534 1
1 186 . 6 1 1 A 24 24 HIS HA H 24 4.673 4.643 0.030 1
1 191 . 6 1 1 A 24 24 HIS C C 24 179.801 175.610 4.191 1
1 192 . 6 1 1 A 24 24 HIS CA C 24 55.610 54.686 0.924 1
1 193 . 6 1 1 A 24 24 HIS CB C 24 31.802 29.931 1.871 1
1 196 . 6 1 1 A 25 25 PRO HA H 25 4.429 4.439 -0.010 1
1 203 . 6 1 1 A 25 25 PRO C C 25 176.888 177.240 -0.352 1
1 204 . 6 1 1 A 25 25 PRO CA C 25 63.902 63.993 -0.091 1
1 205 . 6 1 1 A 25 25 PRO CB C 25 32.124 31.683 0.441 1
1 208 . 6 1 1 A 26 26 ASN H H 26 9.047 8.201 0.846 1
1 209 . 6 1 1 A 26 26 ASN HA H 26 4.788 4.757 0.031 1
1 214 . 6 1 1 A 26 26 ASN C C 26 175.140 175.651 -0.511 1
1 215 . 6 1 1 A 26 26 ASN CA C 26 53.185 51.706 1.479 1
1 216 . 6 1 1 A 26 26 ASN CB C 26 38.696 37.730 0.966 1
1 217 . 6 1 1 A 26 26 ASN N N 26 118.042 116.583 1.459 1
1 219 . 6 1 1 A 27 27 GLN H H 27 8.231 7.791 0.440 1
1 220 . 6 1 1 A 27 27 GLN HA H 27 4.226 4.049 0.177 1
1 227 . 6 1 1 A 27 27 GLN C C 27 175.212 174.062 1.150 1
1 228 . 6 1 1 A 27 27 GLN CA C 27 57.149 57.260 -0.111 1
1 229 . 6 1 1 A 27 27 GLN CB C 27 29.741 29.679 0.062 1
1 231 . 6 1 1 A 27 27 GLN N N 27 119.679 121.864 -2.185 1
1 233 . 6 1 1 A 28 28 TYR H H 28 8.059 7.714 0.345 1
1 234 . 6 1 1 A 28 28 TYR HA H 28 5.109 5.289 -0.180 1
1 241 . 6 1 1 A 28 28 TYR C C 28 174.290 174.343 -0.053 1
1 242 . 6 1 1 A 28 28 TYR CA C 28 56.779 56.944 -0.165 1
1 243 . 6 1 1 A 28 28 TYR CB C 28 41.333 42.268 -0.935 1
1 248 . 6 1 1 A 28 28 TYR N N 28 116.269 115.179 1.090 1
1 249 . 6 1 1 A 29 29 ALA H H 29 8.837 8.818 0.019 1
1 250 . 6 1 1 A 29 29 ALA HA H 29 5.054 5.271 -0.217 1
1 254 . 6 1 1 A 29 29 ALA C C 29 175.795 175.820 -0.025 1
1 255 . 6 1 1 A 29 29 ALA CA C 29 50.612 50.210 0.402 1
1 256 . 6 1 1 A 29 29 ALA CB C 29 23.046 20.766 2.280 1
1 257 . 6 1 1 A 29 29 ALA N N 29 123.222 125.734 -2.512 1
1 258 . 6 1 1 A 30 30 THR H H 30 9.217 9.053 0.164 1
1 259 . 6 1 1 A 30 30 THR HA H 30 4.828 4.613 0.215 1
1 264 . 6 1 1 A 30 30 THR C C 30 173.659 174.236 -0.577 1
1 265 . 6 1 1 A 30 30 THR CA C 30 62.383 61.977 0.406 1
1 266 . 6 1 1 A 30 30 THR CB C 30 70.058 68.941 1.117 1
1 268 . 6 1 1 A 30 30 THR N N 30 119.265 118.256 1.009 1
1 269 . 6 1 1 A 31 31 CYS H H 31 8.927 8.712 0.215 1
1 270 . 6 1 1 A 31 31 CYS HA H 31 3.606 4.076 -0.470 1
1 273 . 6 1 1 A 31 31 CYS C C 31 177.956 175.425 2.531 1
1 274 . 6 1 1 A 31 31 CYS CA C 31 59.743 59.923 -0.180 1
1 275 . 6 1 1 A 31 31 CYS CB C 31 29.971 28.555 1.416 1
1 276 . 6 1 1 A 31 31 CYS N N 31 130.893 126.811 4.082 1
1 277 . 6 1 1 A 32 32 ARG H H 32 9.393 9.155 0.238 1
1 278 . 6 1 1 A 32 32 ARG HA H 32 4.043 4.368 -0.325 1
1 285 . 6 1 1 A 32 32 ARG C C 32 176.693 176.832 -0.139 1
1 286 . 6 1 1 A 32 32 ARG CA C 32 58.471 57.138 1.333 1
1 287 . 6 1 1 A 32 32 ARG CB C 32 30.553 30.084 0.469 1
1 290 . 6 1 1 A 32 32 ARG N N 32 130.594 128.016 2.578 1
1 291 . 6 1 1 A 33 33 LEU H H 33 9.135 7.562 1.573 1
1 292 . 6 1 1 A 33 33 LEU HA H 33 4.243 4.135 0.108 1
1 302 . 6 1 1 A 33 33 LEU C C 33 178.150 178.492 -0.342 1
1 303 . 6 1 1 A 33 33 LEU CA C 33 56.709 57.003 -0.294 1
1 304 . 6 1 1 A 33 33 LEU CB C 33 41.387 43.058 -1.671 1
1 308 . 6 1 1 A 33 33 LEU N N 33 121.037 117.769 3.268 1
1 309 . 6 1 1 A 34 34 CYS H H 34 8.186 7.967 0.219 1
1 310 . 6 1 1 A 34 34 CYS HA H 34 5.200 4.716 0.484 1
1 313 . 6 1 1 A 34 34 CYS C C 34 176.329 175.707 0.622 1
1 314 . 6 1 1 A 34 34 CYS CA C 34 58.365 59.410 -1.045 1
1 315 . 6 1 1 A 34 34 CYS CB C 34 32.799 30.230 2.569 1
1 316 . 6 1 1 A 34 34 CYS N N 34 115.308 113.144 2.164 1
1 317 . 6 1 1 A 35 35 GLY H H 35 8.027 8.356 -0.329 1
1 318 . 6 1 1 A 35 35 GLY HA2 H 35 3.808 3.978 -0.170 1
1 319 . 6 1 1 A 35 35 GLY HA3 H 35 4.196 3.991 0.205 1
1 320 . 6 1 1 A 35 35 GLY C C 35 173.683 174.063 -0.380 1
1 321 . 6 1 1 A 35 35 GLY CA C 35 46.313 45.459 0.854 1
1 322 . 6 1 1 A 35 35 GLY N N 35 113.546 110.492 3.054 1
1 323 . 6 1 1 A 36 36 ARG H H 36 8.272 7.755 0.517 1
1 324 . 6 1 1 A 36 36 ARG HA H 36 4.273 4.590 -0.317 1
1 331 . 6 1 1 A 36 36 ARG C C 36 175.625 175.989 -0.364 1
1 332 . 6 1 1 A 36 36 ARG CA C 36 56.774 54.856 1.918 1
1 333 . 6 1 1 A 36 36 ARG CB C 36 31.112 31.842 -0.730 1
1 336 . 6 1 1 A 36 36 ARG N N 36 121.138 119.314 1.824 1
1 337 . 6 1 1 A 37 37 GLN H H 37 8.509 8.500 0.009 1
1 338 . 6 1 1 A 37 37 GLN HA H 37 4.888 4.894 -0.006 1
1 345 . 6 1 1 A 37 37 GLN C C 37 176.184 175.417 0.767 1
1 346 . 6 1 1 A 37 37 GLN CA C 37 55.475 55.829 -0.354 1
1 347 . 6 1 1 A 37 37 GLN CB C 37 29.426 29.013 0.413 1
1 349 . 6 1 1 A 37 37 GLN N N 37 120.322 121.607 -1.285 1
1 351 . 6 1 1 A 38 38 VAL H H 38 9.281 9.135 0.146 1
1 352 . 6 1 1 A 38 38 VAL HA H 38 4.216 4.513 -0.297 1
1 360 . 6 1 1 A 38 38 VAL C C 38 174.848 175.866 -1.018 1
1 361 . 6 1 1 A 38 38 VAL CA C 38 61.243 61.046 0.197 1
1 362 . 6 1 1 A 38 38 VAL CB C 38 34.146 34.880 -0.734 1
1 365 . 6 1 1 A 38 38 VAL N N 38 125.546 124.681 0.865 1
1 366 . 6 1 1 A 39 39 SER H H 39 8.590 9.000 -0.410 1
1 367 . 6 1 1 A 39 39 SER HA H 39 4.348 4.828 -0.480 1
1 370 . 6 1 1 A 39 39 SER C C 39 174.800 175.334 -0.534 1
1 371 . 6 1 1 A 39 39 SER CA C 39 57.731 56.848 0.883 1
1 372 . 6 1 1 A 39 39 SER CB C 39 64.121 65.846 -1.725 1
1 373 . 6 1 1 A 39 39 SER N N 39 120.236 122.497 -2.261 1
1 374 . 6 1 1 A 40 40 ARG H H 40 8.684 8.961 -0.277 1
1 375 . 6 1 1 A 40 40 ARG HA H 40 4.189 4.272 -0.083 1
1 382 . 6 1 1 A 40 40 ARG C C 40 176.062 177.219 -1.157 1
1 383 . 6 1 1 A 40 40 ARG CA C 40 56.674 56.619 0.055 1
1 384 . 6 1 1 A 40 40 ARG CB C 40 31.302 30.875 0.427 1
1 387 . 6 1 1 A 40 40 ARG N N 40 123.390 120.724 2.666 1
1 388 . 6 1 1 A 41 41 GLY H H 41 7.970 7.836 0.134 1
1 389 . 6 1 1 A 41 41 GLY HA2 H 41 3.920 4.110 -0.190 1
1 390 . 6 1 1 A 41 41 GLY HA3 H 41 4.216 4.118 0.098 1
1 391 . 6 1 1 A 41 41 GLY C C 41 171.037 173.295 -2.258 1
1 392 . 6 1 1 A 41 41 GLY CA C 41 44.269 44.663 -0.394 1
1 393 . 6 1 1 A 41 41 GLY N N 41 107.997 106.295 1.702 1
1 394 . 6 1 1 A 42 42 PRO HA H 42 4.462 4.213 0.249 1
1 401 . 6 1 1 A 42 42 PRO C C 42 176.451 177.626 -1.175 1
1 402 . 6 1 1 A 42 42 PRO CA C 42 63.179 63.753 -0.574 1
1 403 . 6 1 1 A 42 42 PRO CB C 42 32.144 31.246 0.898 1
1 406 . 6 1 1 A 43 43 GLY H H 43 8.388 8.732 -0.344 1
1 407 . 6 1 1 A 43 43 GLY HA2 H 43 4.065 4.022 0.043 1
1 408 . 6 1 1 A 43 43 GLY HA3 H 43 3.808 4.027 -0.219 1
1 409 . 6 1 1 A 43 43 GLY CA C 43 45.278 46.497 -1.219 1
1 410 . 6 1 1 A 43 43 GLY N N 43 109.409 112.979 -3.570 1
1 411 . 6 1 1 A 44 44 VAL H H 44 7.913 7.990 -0.077 1
1 412 . 6 1 1 A 44 44 VAL HA H 44 4.107 4.310 -0.203 1
1 420 . 6 1 1 A 44 44 VAL CA C 44 62.352 62.520 -0.168 1
1 421 . 6 1 1 A 44 44 VAL CB C 44 32.777 33.472 -0.695 1
1 424 . 6 1 1 A 44 44 VAL N N 44 117.689 119.550 -1.861 1
1 425 . 6 1 1 A 45 45 ASN HA H 45 4.713 4.798 -0.085 1
1 430 . 6 1 1 A 45 45 ASN CA C 45 53.201 54.731 -1.530 1
1 431 . 6 1 1 A 45 45 ASN CB C 45 38.671 39.261 -0.590 1
1 433 . 6 1 1 A 46 46 VAL H H 46 7.994 7.954 0.040 1
1 434 . 6 1 1 A 46 46 VAL HA H 46 4.148 3.787 0.361 1
1 439 . 6 1 1 A 46 46 VAL C C 46 177.834 175.781 2.053 1
1 440 . 6 1 1 A 46 46 VAL CA C 46 62.726 65.656 -2.930 1
1 441 . 6 1 1 A 46 46 VAL CB C 46 32.476 31.856 0.620 1
1 443 . 6 1 1 A 46 46 VAL N N 46 118.432 120.669 -2.237 1
1 444 . 6 1 1 A 47 47 GLY HA2 H 47 3.702 4.042 -0.340 1
1 445 . 6 1 1 A 47 47 GLY HA3 H 47 4.104 4.050 0.054 1
1 446 . 6 1 1 A 47 47 GLY C C 47 173.950 172.107 1.843 1
1 447 . 6 1 1 A 47 47 GLY CA C 47 45.202 46.136 -0.934 1
1 448 . 6 1 1 A 48 48 THR H H 48 8.238 8.454 -0.216 1
1 449 . 6 1 1 A 48 48 THR HA H 48 4.066 4.056 0.010 1
1 454 . 6 1 1 A 48 48 THR C C 48 175.919 174.712 1.207 1
1 455 . 6 1 1 A 48 48 THR CA C 48 67.178 64.262 2.916 1
1 456 . 6 1 1 A 48 48 THR CB C 48 68.681 68.778 -0.097 1
1 458 . 6 1 1 A 48 48 THR N N 48 118.267 117.836 0.431 1
1 459 . 6 1 1 A 49 49 THR HA H 49 3.981 4.243 -0.262 1
1 464 . 6 1 1 A 49 49 THR CA C 49 62.689 64.385 -1.696 1
1 465 . 6 1 1 A 49 49 THR CB C 49 69.410 69.019 0.391 1
1 467 . 6 1 1 A 50 50 ALA HA H 50 4.091 3.931 0.160 1
1 471 . 6 1 1 A 50 50 ALA C C 50 180.456 179.580 0.876 1
1 472 . 6 1 1 A 50 50 ALA CA C 50 55.053 55.458 -0.405 1
1 473 . 6 1 1 A 50 50 ALA CB C 50 18.859 18.318 0.541 1
1 474 . 6 1 1 A 51 51 LEU H H 51 7.042 7.646 -0.604 1
1 475 . 6 1 1 A 51 51 LEU HA H 51 3.446 3.313 0.133 1
1 485 . 6 1 1 A 51 51 LEU C C 51 179.170 179.191 -0.021 1
1 486 . 6 1 1 A 51 51 LEU CA C 51 57.395 57.440 -0.045 1
1 487 . 6 1 1 A 51 51 LEU CB C 51 39.050 41.117 -2.067 1
1 491 . 6 1 1 A 51 51 LEU N N 51 117.051 117.758 -0.707 1
1 492 . 6 1 1 A 52 52 TRP H H 52 7.992 8.587 -0.595 1
1 493 . 6 1 1 A 52 52 TRP HA H 52 4.412 4.326 0.086 1
1 502 . 6 1 1 A 52 52 TRP C C 52 178.636 178.929 -0.293 1
1 503 . 6 1 1 A 52 52 TRP CA C 52 60.762 60.297 0.465 1
1 504 . 6 1 1 A 52 52 TRP CB C 52 29.830 29.153 0.677 1
1 510 . 6 1 1 A 52 52 TRP N N 52 118.438 118.811 -0.373 1
1 512 . 6 1 1 A 53 53 LYS H H 53 8.239 7.692 0.547 1
1 513 . 6 1 1 A 53 53 LYS HA H 53 4.077 4.031 0.046 1
1 522 . 6 1 1 A 53 53 LYS C C 53 179.777 178.914 0.863 1
1 523 . 6 1 1 A 53 53 LYS CA C 53 59.864 59.337 0.527 1
1 524 . 6 1 1 A 53 53 LYS CB C 53 32.077 32.463 -0.386 1
1 528 . 6 1 1 A 53 53 LYS N N 53 118.342 119.269 -0.927 1
1 529 . 6 1 1 A 54 54 HIS H H 54 7.592 7.781 -0.189 1
1 530 . 6 1 1 A 54 54 HIS HA H 54 4.351 4.359 -0.008 1
1 535 . 6 1 1 A 54 54 HIS C C 54 176.499 177.404 -0.905 1
1 536 . 6 1 1 A 54 54 HIS CA C 54 60.409 59.355 1.054 1
1 537 . 6 1 1 A 54 54 HIS CB C 54 28.701 30.432 -1.731 1
1 540 . 6 1 1 A 54 54 HIS N N 54 117.948 120.148 -2.200 1
1 541 . 6 1 1 A 55 55 LEU H H 55 8.223 8.583 -0.360 1
1 542 . 6 1 1 A 55 55 LEU HA H 55 3.829 3.909 -0.080 1
1 552 . 6 1 1 A 55 55 LEU C C 55 178.587 179.178 -0.591 1
1 553 . 6 1 1 A 55 55 LEU CA C 55 58.492 58.081 0.411 1
1 554 . 6 1 1 A 55 55 LEU CB C 55 42.293 41.486 0.807 1
1 558 . 6 1 1 A 55 55 LEU N N 55 118.224 119.426 -1.202 1
1 559 . 6 1 1 A 56 56 LYS H H 56 8.795 8.541 0.254 1
1 560 . 6 1 1 A 56 56 LYS HA H 56 3.823 4.262 -0.439 1
1 569 . 6 1 1 A 56 56 LYS C C 56 177.664 178.559 -0.895 1
1 570 . 6 1 1 A 56 56 LYS CA C 56 58.999 58.310 0.689 1
1 571 . 6 1 1 A 56 56 LYS CB C 56 32.395 32.257 0.138 1
1 575 . 6 1 1 A 56 56 LYS N N 56 115.460 117.813 -2.353 1
1 576 . 6 1 1 A 57 57 SER H H 57 7.600 7.731 -0.131 1
1 577 . 6 1 1 A 57 57 SER HA H 57 4.353 4.277 0.076 1
1 580 . 6 1 1 A 57 57 SER C C 57 176.451 175.471 0.980 1
1 581 . 6 1 1 A 57 57 SER CA C 57 60.480 61.160 -0.680 1
1 582 . 6 1 1 A 57 57 SER CB C 57 63.879 63.302 0.577 1
1 583 . 6 1 1 A 57 57 SER N N 57 110.773 114.898 -4.125 1
1 584 . 6 1 1 A 58 58 MET H H 58 7.685 7.624 0.061 1
1 585 . 6 1 1 A 58 58 MET HA H 58 4.555 4.557 -0.002 1
1 593 . 6 1 1 A 58 58 MET C C 58 176.645 177.258 -0.613 1
1 594 . 6 1 1 A 58 58 MET CA C 58 55.158 55.455 -0.297 1
1 595 . 6 1 1 A 58 58 MET CB C 58 32.427 34.091 -1.664 1
1 598 . 6 1 1 A 58 58 MET N N 58 115.874 116.237 -0.363 1
1 599 . 6 1 1 A 59 59 HIS H H 59 7.685 7.760 -0.075 1
1 600 . 6 1 1 A 59 59 HIS HA H 59 5.357 4.629 0.728 1
1 605 . 6 1 1 A 59 59 HIS C C 59 175.140 175.673 -0.533 1
1 606 . 6 1 1 A 59 59 HIS CA C 59 53.114 55.866 -2.752 1
1 607 . 6 1 1 A 59 59 HIS CB C 59 29.080 29.176 -0.096 1
1 610 . 6 1 1 A 59 59 HIS N N 59 117.346 116.891 0.455 1
1 611 . 6 1 1 A 60 60 ARG H H 60 7.995 7.977 0.018 1
1 612 . 6 1 1 A 60 60 ARG HA H 60 3.771 3.819 -0.048 1
1 619 . 6 1 1 A 60 60 ARG C C 60 178.684 178.468 0.216 1
1 620 . 6 1 1 A 60 60 ARG CA C 60 60.646 59.250 1.396 1
1 621 . 6 1 1 A 60 60 ARG CB C 60 29.959 30.008 -0.049 1
1 624 . 6 1 1 A 60 60 ARG N N 60 120.640 122.227 -1.587 1
1 625 . 6 1 1 A 61 61 GLU H H 61 8.929 7.964 0.965 1
1 626 . 6 1 1 A 61 61 GLU HA H 61 4.046 4.132 -0.086 1
1 631 . 6 1 1 A 61 61 GLU C C 61 179.024 179.232 -0.208 1
1 632 . 6 1 1 A 61 61 GLU CA C 61 59.775 59.234 0.541 1
1 633 . 6 1 1 A 61 61 GLU CB C 61 28.926 29.533 -0.607 1
1 635 . 6 1 1 A 61 61 GLU N N 61 117.239 119.452 -2.213 1
1 636 . 6 1 1 A 62 62 GLU H H 62 8.182 7.989 0.193 1
1 637 . 6 1 1 A 62 62 GLU HA H 62 4.078 4.050 0.028 1
1 642 . 6 1 1 A 62 62 GLU C C 62 179.242 179.246 -0.004 1
1 643 . 6 1 1 A 62 62 GLU CA C 62 59.317 59.206 0.111 1
1 644 . 6 1 1 A 62 62 GLU CB C 62 28.864 29.613 -0.749 1
1 646 . 6 1 1 A 62 62 GLU N N 62 120.004 120.352 -0.348 1
1 647 . 6 1 1 A 63 63 LEU H H 63 7.849 8.327 -0.478 1
1 648 . 6 1 1 A 63 63 LEU HA H 63 4.158 3.981 0.177 1
1 658 . 6 1 1 A 63 63 LEU C C 63 179.679 179.002 0.677 1
1 659 . 6 1 1 A 63 63 LEU CA C 63 57.449 57.851 -0.402 1
1 660 . 6 1 1 A 63 63 LEU CB C 63 41.552 41.644 -0.092 1
1 664 . 6 1 1 A 63 63 LEU N N 63 119.191 120.552 -1.361 1
1 665 . 6 1 1 A 64 64 GLU H H 64 8.097 7.967 0.130 1
1 666 . 6 1 1 A 64 64 GLU HA H 64 4.113 3.974 0.139 1
1 671 . 6 1 1 A 64 64 GLU C C 64 178.951 179.271 -0.320 1
1 672 . 6 1 1 A 64 64 GLU CA C 64 58.480 59.820 -1.340 1
1 673 . 6 1 1 A 64 64 GLU CB C 64 29.548 29.267 0.281 1
1 675 . 6 1 1 A 64 64 GLU N N 64 118.834 117.308 1.526 1
1 676 . 6 1 1 A 65 65 LYS H H 65 7.854 7.831 0.023 1
1 677 . 6 1 1 A 65 65 LYS HA H 65 4.197 4.070 0.127 1
1 685 . 6 1 1 A 65 65 LYS C C 65 177.713 179.178 -1.465 1
1 686 . 6 1 1 A 65 65 LYS CA C 65 58.154 59.300 -1.146 1
1 687 . 6 1 1 A 65 65 LYS CB C 65 32.614 32.156 0.458 1
1 691 . 6 1 1 A 65 65 LYS N N 65 119.350 120.427 -1.077 1
1 692 . 6 1 1 A 66 66 SER H H 66 7.816 7.761 0.055 1
1 693 . 6 1 1 A 66 66 SER HA H 66 4.457 4.348 0.109 1
1 696 . 6 1 1 A 66 66 SER C C 66 174.751 174.725 0.026 1
1 697 . 6 1 1 A 66 66 SER CA C 66 58.864 61.721 -2.857 1
1 698 . 6 1 1 A 66 66 SER CB C 66 64.180 63.815 0.365 1
1 699 . 6 1 1 A 66 66 SER N N 66 113.693 112.480 1.213 1
1 700 . 6 1 1 A 67 67 GLY H H 67 7.959 8.323 -0.364 1
1 701 . 6 1 1 A 67 67 GLY HA2 H 67 4.036 4.038 -0.002 1
1 702 . 6 1 1 A 67 67 GLY HA3 H 67 3.924 4.082 -0.158 1
1 703 . 6 1 1 A 67 67 GLY C C 67 174.775 174.203 0.572 1
1 704 . 6 1 1 A 67 67 GLY CA C 67 45.678 45.274 0.404 1
1 705 . 6 1 1 A 67 67 GLY N N 67 108.980 107.630 1.350 1
1 706 . 6 1 1 A 68 68 HIS H H 68 8.148 8.163 -0.015 1
1 707 . 6 1 1 A 68 68 HIS HA H 68 4.861 4.892 -0.031 1
1 712 . 6 1 1 A 68 68 HIS C C 68 176.159 175.950 0.209 1
1 713 . 6 1 1 A 68 68 HIS CA C 68 56.004 54.051 1.953 1
1 714 . 6 1 1 A 68 68 HIS CB C 68 31.585 29.798 1.787 1
1 717 . 6 1 1 A 68 68 HIS N N 68 119.127 118.758 0.369 1
1 718 . 6 1 1 A 69 69 GLY H H 69 8.610 8.721 -0.111 1
1 719 . 6 1 1 A 69 69 GLY HA2 H 69 3.903 3.723 0.180 1
1 720 . 6 1 1 A 69 69 GLY HA3 H 69 3.903 3.749 0.154 1
1 721 . 6 1 1 A 69 69 GLY C C 69 174.290 175.092 -0.802 1
1 722 . 6 1 1 A 69 69 GLY CA C 69 45.890 47.315 -1.425 1
1 723 . 6 1 1 A 69 69 GLY N N 69 109.663 111.309 -1.646 1
1 724 . 6 1 1 A 70 70 GLN H H 70 8.325 7.587 0.738 1
1 725 . 6 1 1 A 70 70 GLN HA H 70 4.396 4.351 0.045 1
1 732 . 6 1 1 A 70 70 GLN C C 70 176.208 175.990 0.218 1
1 733 . 6 1 1 A 70 70 GLN CA C 70 55.616 55.949 -0.333 1
1 734 . 6 1 1 A 70 70 GLN CB C 70 29.441 31.050 -1.609 1
1 736 . 6 1 1 A 70 70 GLN N N 70 119.031 119.051 -0.020 1
1 738 . 6 1 1 A 71 71 SER HA H 71 4.466 4.029 0.437 1
1 741 . 6 1 1 A 71 71 SER C C 71 174.096 173.119 0.977 1
1 742 . 6 1 1 A 71 71 SER CA C 71 58.506 59.047 -0.541 1
1 743 . 6 1 1 A 71 71 SER CB C 71 64.126 62.176 1.950 1
1 744 . 6 1 1 A 72 72 GLY H H 72 8.136 8.130 0.006 1
1 745 . 6 1 1 A 72 72 GLY HA2 H 72 3.776 4.062 -0.286 1
1 746 . 6 1 1 A 72 72 GLY HA3 H 72 3.703 4.102 -0.399 1
1 747 . 6 1 1 A 72 72 GLY C C 72 171.644 172.439 -0.795 1
1 748 . 6 1 1 A 72 72 GLY CA C 72 44.304 45.155 -0.851 1
1 749 . 6 1 1 A 72 72 GLY N N 72 110.082 106.506 3.576 1
1 750 . 6 1 1 A 73 73 PRO HA H 73 4.408 4.671 -0.263 1
1 757 . 6 1 1 A 73 73 PRO C C 73 175.067 176.228 -1.161 1
1 758 . 6 1 1 A 73 73 PRO CA C 73 63.151 62.575 0.576 1
1 759 . 6 1 1 A 73 73 PRO CB C 73 32.225 31.845 0.380 1
1 763 . 6 1 1 A 74 74 SER CA C 74 58.647 60.164 -1.517 1
1 1 . 7 1 1 A 7 7 GLY HA2 H 7 4.246 3.990 0.256 1
1 2 . 7 1 1 A 7 7 GLY HA3 H 7 4.111 4.009 0.102 1
1 3 . 7 1 1 A 7 7 GLY CA C 7 46.145 46.902 -0.757 1
1 4 . 7 1 1 A 8 8 SER HA H 8 4.472 4.642 -0.170 1
1 7 . 7 1 1 A 8 8 SER C C 8 175.844 175.360 0.484 1
1 8 . 7 1 1 A 8 8 SER CA C 8 60.307 58.545 1.762 1
1 9 . 7 1 1 A 8 8 SER CB C 8 63.621 63.021 0.600 1
1 10 . 7 1 1 A 9 9 GLU H H 9 9.766 8.343 1.423 1
1 11 . 7 1 1 A 9 9 GLU HA H 9 4.354 4.221 0.133 1
1 16 . 7 1 1 A 9 9 GLU C C 9 177.495 178.650 -1.155 1
1 17 . 7 1 1 A 9 9 GLU CA C 9 58.823 59.242 -0.419 1
1 18 . 7 1 1 A 9 9 GLU CB C 9 29.080 29.518 -0.438 1
1 20 . 7 1 1 A 9 9 GLU N N 9 124.626 121.412 3.214 1
1 21 . 7 1 1 A 10 10 ALA H H 10 7.788 8.063 -0.275 1
1 22 . 7 1 1 A 10 10 ALA HA H 10 3.387 3.813 -0.426 1
1 26 . 7 1 1 A 10 10 ALA C C 10 179.145 179.344 -0.199 1
1 27 . 7 1 1 A 10 10 ALA CA C 10 54.588 54.551 0.037 1
1 28 . 7 1 1 A 10 10 ALA CB C 10 17.451 17.076 0.375 1
1 29 . 7 1 1 A 10 10 ALA N N 10 120.412 121.320 -0.908 1
1 30 . 7 1 1 A 11 11 TRP H H 11 7.481 8.124 -0.643 1
1 31 . 7 1 1 A 11 11 TRP HA H 11 4.440 4.616 -0.176 1
1 40 . 7 1 1 A 11 11 TRP C C 11 177.373 179.119 -1.746 1
1 41 . 7 1 1 A 11 11 TRP CA C 11 59.460 59.897 -0.437 1
1 42 . 7 1 1 A 11 11 TRP CB C 11 29.033 29.289 -0.256 1
1 48 . 7 1 1 A 11 11 TRP N N 11 113.286 118.110 -4.824 1
1 50 . 7 1 1 A 12 12 GLU H H 12 7.771 9.161 -1.390 1
1 51 . 7 1 1 A 12 12 GLU HA H 12 4.100 4.073 0.027 1
1 56 . 7 1 1 A 12 12 GLU C C 12 177.543 177.270 0.273 1
1 57 . 7 1 1 A 12 12 GLU CA C 12 58.195 59.462 -1.267 1
1 58 . 7 1 1 A 12 12 GLU CB C 12 29.265 28.999 0.266 1
1 60 . 7 1 1 A 12 12 GLU N N 12 117.805 118.908 -1.103 1
1 61 . 7 1 1 A 13 13 TYR H H 13 7.748 8.382 -0.634 1
1 62 . 7 1 1 A 13 13 TYR HA H 13 4.181 4.582 -0.401 1
1 69 . 7 1 1 A 13 13 TYR C C 13 172.809 174.978 -2.169 1
1 70 . 7 1 1 A 13 13 TYR CA C 13 58.524 57.708 0.816 1
1 71 . 7 1 1 A 13 13 TYR CB C 13 40.503 38.452 2.051 1
1 76 . 7 1 1 A 13 13 TYR N N 13 114.665 115.735 -1.070 1
1 77 . 7 1 1 A 14 14 PHE H H 14 7.590 8.166 -0.576 1
1 78 . 7 1 1 A 14 14 PHE HA H 14 5.336 5.578 -0.242 1
1 86 . 7 1 1 A 14 14 PHE C C 14 174.508 174.621 -0.113 1
1 87 . 7 1 1 A 14 14 PHE CA C 14 56.895 56.503 0.392 1
1 88 . 7 1 1 A 14 14 PHE CB C 14 45.117 43.609 1.508 1
1 94 . 7 1 1 A 14 14 PHE N N 14 115.479 118.514 -3.035 1
1 95 . 7 1 1 A 15 15 HIS H H 15 9.046 9.407 -0.361 1
1 96 . 7 1 1 A 15 15 HIS HA H 15 5.111 5.586 -0.475 1
1 101 . 7 1 1 A 15 15 HIS C C 15 175.455 173.535 1.920 1
1 102 . 7 1 1 A 15 15 HIS CA C 15 54.841 53.962 0.879 1
1 103 . 7 1 1 A 15 15 HIS CB C 15 33.210 32.861 0.349 1
1 106 . 7 1 1 A 15 15 HIS N N 15 118.065 117.601 0.464 1
1 107 . 7 1 1 A 16 16 LEU H H 16 8.899 9.009 -0.110 1
1 108 . 7 1 1 A 16 16 LEU HA H 16 4.624 4.292 0.332 1
1 118 . 7 1 1 A 16 16 LEU C C 16 176.256 177.826 -1.570 1
1 119 . 7 1 1 A 16 16 LEU CA C 16 54.947 55.222 -0.275 1
1 120 . 7 1 1 A 16 16 LEU CB C 16 42.540 42.153 0.387 1
1 124 . 7 1 1 A 16 16 LEU N N 16 125.895 125.169 0.726 1
1 125 . 7 1 1 A 17 17 ALA H H 17 8.412 8.599 -0.187 1
1 126 . 7 1 1 A 17 17 ALA HA H 17 4.574 4.866 -0.292 1
1 130 . 7 1 1 A 17 17 ALA C C 17 175.188 175.593 -0.405 1
1 131 . 7 1 1 A 17 17 ALA CA C 17 50.400 50.568 -0.168 1
1 132 . 7 1 1 A 17 17 ALA CB C 17 18.205 19.043 -0.838 1
1 133 . 7 1 1 A 17 17 ALA N N 17 128.151 126.768 1.383 1
1 134 . 7 1 1 A 18 18 PRO HA H 18 4.373 4.748 -0.375 1
1 141 . 7 1 1 A 18 18 PRO C C 18 176.621 176.270 0.351 1
1 142 . 7 1 1 A 18 18 PRO CA C 18 62.911 62.549 0.362 1
1 143 . 7 1 1 A 18 18 PRO CB C 18 32.105 32.648 -0.543 1
1 146 . 7 1 1 A 19 19 ALA H H 19 8.434 8.442 -0.008 1
1 147 . 7 1 1 A 19 19 ALA HA H 19 4.300 4.962 -0.662 1
1 151 . 7 1 1 A 19 19 ALA C C 19 177.834 176.338 1.496 1
1 152 . 7 1 1 A 19 19 ALA CA C 19 52.515 50.549 1.966 1
1 153 . 7 1 1 A 19 19 ALA CB C 19 19.359 23.381 -4.022 1
1 154 . 7 1 1 A 19 19 ALA N N 19 125.267 122.409 2.858 1
1 155 . 7 1 1 A 20 20 ARG H H 20 8.450 8.602 -0.152 1
1 156 . 7 1 1 A 20 20 ARG HA H 20 4.366 4.816 -0.450 1
1 163 . 7 1 1 A 20 20 ARG C C 20 175.795 176.046 -0.251 1
1 164 . 7 1 1 A 20 20 ARG CA C 20 55.405 55.259 0.146 1
1 165 . 7 1 1 A 20 20 ARG CB C 20 31.685 32.229 -0.544 1
1 168 . 7 1 1 A 20 20 ARG N N 20 121.353 117.840 3.513 1
1 169 . 7 1 1 A 21 21 ALA HA H 21 4.229 3.958 0.271 1
1 173 . 7 1 1 A 21 21 ALA CA C 21 53.263 53.925 -0.662 1
1 174 . 7 1 1 A 21 21 ALA CB C 21 18.577 18.303 0.274 1
1 175 . 7 1 1 A 22 22 GLY C C 22 175.407 174.576 0.831 1
1 176 . 7 1 1 A 23 23 HIS HA H 23 4.768 4.504 0.264 1
1 181 . 7 1 1 A 23 23 HIS C C 23 178.611 175.157 3.454 1
1 182 . 7 1 1 A 23 23 HIS CA C 23 55.004 56.116 -1.112 1
1 183 . 7 1 1 A 23 23 HIS CB C 23 30.750 30.292 0.458 1
1 186 . 7 1 1 A 24 24 HIS HA H 24 4.673 4.908 -0.235 1
1 191 . 7 1 1 A 24 24 HIS C C 24 179.801 176.160 3.641 1
1 192 . 7 1 1 A 24 24 HIS CA C 24 55.610 54.586 1.024 1
1 193 . 7 1 1 A 24 24 HIS CB C 24 31.802 30.497 1.305 1
1 196 . 7 1 1 A 25 25 PRO HA H 25 4.429 4.502 -0.073 1
1 203 . 7 1 1 A 25 25 PRO C C 25 176.888 176.451 0.437 1
1 204 . 7 1 1 A 25 25 PRO CA C 25 63.902 63.987 -0.085 1
1 205 . 7 1 1 A 25 25 PRO CB C 25 32.124 31.612 0.512 1
1 208 . 7 1 1 A 26 26 ASN H H 26 9.047 8.793 0.254 1
1 209 . 7 1 1 A 26 26 ASN HA H 26 4.788 5.121 -0.333 1
1 214 . 7 1 1 A 26 26 ASN C C 26 175.140 175.979 -0.839 1
1 215 . 7 1 1 A 26 26 ASN CA C 26 53.185 52.908 0.277 1
1 216 . 7 1 1 A 26 26 ASN CB C 26 38.696 39.021 -0.325 1
1 217 . 7 1 1 A 26 26 ASN N N 26 118.042 118.764 -0.722 1
1 219 . 7 1 1 A 27 27 GLN H H 27 8.231 8.014 0.217 1
1 220 . 7 1 1 A 27 27 GLN HA H 27 4.226 4.515 -0.289 1
1 227 . 7 1 1 A 27 27 GLN C C 27 175.212 175.543 -0.331 1
1 228 . 7 1 1 A 27 27 GLN CA C 27 57.149 56.254 0.895 1
1 229 . 7 1 1 A 27 27 GLN CB C 27 29.741 30.021 -0.280 1
1 231 . 7 1 1 A 27 27 GLN N N 27 119.679 117.546 2.133 1
1 233 . 7 1 1 A 28 28 TYR H H 28 8.059 7.692 0.367 1
1 234 . 7 1 1 A 28 28 TYR HA H 28 5.109 5.127 -0.018 1
1 241 . 7 1 1 A 28 28 TYR C C 28 174.290 174.237 0.053 1
1 242 . 7 1 1 A 28 28 TYR CA C 28 56.779 56.555 0.224 1
1 243 . 7 1 1 A 28 28 TYR CB C 28 41.333 43.172 -1.839 1
1 248 . 7 1 1 A 28 28 TYR N N 28 116.269 117.653 -1.384 1
1 249 . 7 1 1 A 29 29 ALA H H 29 8.837 9.021 -0.184 1
1 250 . 7 1 1 A 29 29 ALA HA H 29 5.054 5.513 -0.459 1
1 254 . 7 1 1 A 29 29 ALA C C 29 175.795 175.867 -0.072 1
1 255 . 7 1 1 A 29 29 ALA CA C 29 50.612 50.297 0.315 1
1 256 . 7 1 1 A 29 29 ALA CB C 29 23.046 22.203 0.843 1
1 257 . 7 1 1 A 29 29 ALA N N 29 123.222 122.961 0.261 1
1 258 . 7 1 1 A 30 30 THR H H 30 9.217 9.159 0.058 1
1 259 . 7 1 1 A 30 30 THR HA H 30 4.828 4.754 0.074 1
1 264 . 7 1 1 A 30 30 THR C C 30 173.659 174.226 -0.567 1
1 265 . 7 1 1 A 30 30 THR CA C 30 62.383 61.956 0.427 1
1 266 . 7 1 1 A 30 30 THR CB C 30 70.058 69.292 0.766 1
1 268 . 7 1 1 A 30 30 THR N N 30 119.265 117.653 1.612 1
1 269 . 7 1 1 A 31 31 CYS H H 31 8.927 8.654 0.273 1
1 270 . 7 1 1 A 31 31 CYS HA H 31 3.606 3.866 -0.260 1
1 273 . 7 1 1 A 31 31 CYS C C 31 177.956 175.549 2.407 1
1 274 . 7 1 1 A 31 31 CYS CA C 31 59.743 59.811 -0.068 1
1 275 . 7 1 1 A 31 31 CYS CB C 31 29.971 28.508 1.463 1
1 276 . 7 1 1 A 31 31 CYS N N 31 130.893 126.321 4.572 1
1 277 . 7 1 1 A 32 32 ARG H H 32 9.393 9.149 0.244 1
1 278 . 7 1 1 A 32 32 ARG HA H 32 4.043 4.326 -0.283 1
1 285 . 7 1 1 A 32 32 ARG C C 32 176.693 176.817 -0.124 1
1 286 . 7 1 1 A 32 32 ARG CA C 32 58.471 57.627 0.844 1
1 287 . 7 1 1 A 32 32 ARG CB C 32 30.553 29.997 0.556 1
1 290 . 7 1 1 A 32 32 ARG N N 32 130.594 128.028 2.566 1
1 291 . 7 1 1 A 33 33 LEU H H 33 9.135 7.516 1.619 1
1 292 . 7 1 1 A 33 33 LEU HA H 33 4.243 4.142 0.101 1
1 302 . 7 1 1 A 33 33 LEU C C 33 178.150 178.471 -0.321 1
1 303 . 7 1 1 A 33 33 LEU CA C 33 56.709 56.945 -0.236 1
1 304 . 7 1 1 A 33 33 LEU CB C 33 41.387 43.078 -1.691 1
1 308 . 7 1 1 A 33 33 LEU N N 33 121.037 117.769 3.268 1
1 309 . 7 1 1 A 34 34 CYS H H 34 8.186 7.957 0.229 1
1 310 . 7 1 1 A 34 34 CYS HA H 34 5.200 4.713 0.487 1
1 313 . 7 1 1 A 34 34 CYS C C 34 176.329 175.671 0.658 1
1 314 . 7 1 1 A 34 34 CYS CA C 34 58.365 59.274 -0.909 1
1 315 . 7 1 1 A 34 34 CYS CB C 34 32.799 30.324 2.475 1
1 316 . 7 1 1 A 34 34 CYS N N 34 115.308 113.131 2.177 1
1 317 . 7 1 1 A 35 35 GLY H H 35 8.027 8.236 -0.209 1
1 318 . 7 1 1 A 35 35 GLY HA2 H 35 3.808 4.002 -0.194 1
1 319 . 7 1 1 A 35 35 GLY HA3 H 35 4.196 4.021 0.175 1
1 320 . 7 1 1 A 35 35 GLY C C 35 173.683 174.251 -0.568 1
1 321 . 7 1 1 A 35 35 GLY CA C 35 46.313 45.458 0.855 1
1 322 . 7 1 1 A 35 35 GLY N N 35 113.546 110.344 3.202 1
1 323 . 7 1 1 A 36 36 ARG H H 36 8.272 7.171 1.101 1
1 324 . 7 1 1 A 36 36 ARG HA H 36 4.273 4.346 -0.073 1
1 331 . 7 1 1 A 36 36 ARG C C 36 175.625 175.912 -0.287 1
1 332 . 7 1 1 A 36 36 ARG CA C 36 56.774 55.596 1.178 1
1 333 . 7 1 1 A 36 36 ARG CB C 36 31.112 31.236 -0.124 1
1 336 . 7 1 1 A 36 36 ARG N N 36 121.138 119.719 1.419 1
1 337 . 7 1 1 A 37 37 GLN H H 37 8.509 8.603 -0.094 1
1 338 . 7 1 1 A 37 37 GLN HA H 37 4.888 5.144 -0.256 1
1 345 . 7 1 1 A 37 37 GLN C C 37 176.184 175.214 0.970 1
1 346 . 7 1 1 A 37 37 GLN CA C 37 55.475 55.928 -0.453 1
1 347 . 7 1 1 A 37 37 GLN CB C 37 29.426 29.377 0.049 1
1 349 . 7 1 1 A 37 37 GLN N N 37 120.322 121.910 -1.588 1
1 351 . 7 1 1 A 38 38 VAL H H 38 9.281 9.211 0.070 1
1 352 . 7 1 1 A 38 38 VAL HA H 38 4.216 4.506 -0.290 1
1 360 . 7 1 1 A 38 38 VAL C C 38 174.848 175.231 -0.383 1
1 361 . 7 1 1 A 38 38 VAL CA C 38 61.243 61.432 -0.189 1
1 362 . 7 1 1 A 38 38 VAL CB C 38 34.146 34.034 0.112 1
1 365 . 7 1 1 A 38 38 VAL N N 38 125.546 125.636 -0.090 1
1 366 . 7 1 1 A 39 39 SER H H 39 8.590 8.957 -0.367 1
1 367 . 7 1 1 A 39 39 SER HA H 39 4.348 4.794 -0.446 1
1 370 . 7 1 1 A 39 39 SER C C 39 174.800 174.870 -0.070 1
1 371 . 7 1 1 A 39 39 SER CA C 39 57.731 56.858 0.873 1
1 372 . 7 1 1 A 39 39 SER CB C 39 64.121 63.914 0.207 1
1 373 . 7 1 1 A 39 39 SER N N 39 120.236 122.257 -2.021 1
1 374 . 7 1 1 A 40 40 ARG H H 40 8.684 8.734 -0.050 1
1 375 . 7 1 1 A 40 40 ARG HA H 40 4.189 4.554 -0.365 1
1 382 . 7 1 1 A 40 40 ARG C C 40 176.062 175.918 0.144 1
1 383 . 7 1 1 A 40 40 ARG CA C 40 56.674 55.841 0.833 1
1 384 . 7 1 1 A 40 40 ARG CB C 40 31.302 31.707 -0.405 1
1 387 . 7 1 1 A 40 40 ARG N N 40 123.390 120.265 3.125 1
1 388 . 7 1 1 A 41 41 GLY H H 41 7.970 7.691 0.279 1
1 389 . 7 1 1 A 41 41 GLY HA2 H 41 3.920 4.053 -0.133 1
1 390 . 7 1 1 A 41 41 GLY HA3 H 41 4.216 4.070 0.146 1
1 391 . 7 1 1 A 41 41 GLY C C 41 171.037 173.443 -2.406 1
1 392 . 7 1 1 A 41 41 GLY CA C 41 44.269 44.643 -0.374 1
1 393 . 7 1 1 A 41 41 GLY N N 41 107.997 107.727 0.270 1
1 394 . 7 1 1 A 42 42 PRO HA H 42 4.462 4.391 0.071 1
1 401 . 7 1 1 A 42 42 PRO C C 42 176.451 177.212 -0.761 1
1 402 . 7 1 1 A 42 42 PRO CA C 42 63.179 65.241 -2.062 1
1 403 . 7 1 1 A 42 42 PRO CB C 42 32.144 32.144 0.000 1
1 406 . 7 1 1 A 43 43 GLY H H 43 8.388 8.218 0.170 1
1 407 . 7 1 1 A 43 43 GLY HA2 H 43 4.065 3.991 0.074 1
1 408 . 7 1 1 A 43 43 GLY HA3 H 43 3.808 3.994 -0.186 1
1 409 . 7 1 1 A 43 43 GLY CA C 43 45.278 45.920 -0.642 1
1 410 . 7 1 1 A 43 43 GLY N N 43 109.409 107.241 2.168 1
1 411 . 7 1 1 A 44 44 VAL H H 44 7.913 8.842 -0.929 1
1 412 . 7 1 1 A 44 44 VAL HA H 44 4.107 4.674 -0.567 1
1 420 . 7 1 1 A 44 44 VAL CA C 44 62.352 61.309 1.043 1
1 421 . 7 1 1 A 44 44 VAL CB C 44 32.777 33.449 -0.672 1
1 424 . 7 1 1 A 44 44 VAL N N 44 117.689 125.958 -8.269 1
1 425 . 7 1 1 A 45 45 ASN HA H 45 4.713 5.462 -0.749 1
1 430 . 7 1 1 A 45 45 ASN CA C 45 53.201 52.070 1.131 1
1 431 . 7 1 1 A 45 45 ASN CB C 45 38.671 38.947 -0.276 1
1 433 . 7 1 1 A 46 46 VAL H H 46 7.994 8.512 -0.518 1
1 434 . 7 1 1 A 46 46 VAL HA H 46 4.148 4.692 -0.544 1
1 439 . 7 1 1 A 46 46 VAL C C 46 177.834 176.289 1.545 1
1 440 . 7 1 1 A 46 46 VAL CA C 46 62.726 59.492 3.234 1
1 441 . 7 1 1 A 46 46 VAL CB C 46 32.476 34.670 -2.194 1
1 443 . 7 1 1 A 46 46 VAL N N 46 118.432 120.393 -1.961 1
1 444 . 7 1 1 A 47 47 GLY HA2 H 47 3.702 3.776 -0.074 1
1 445 . 7 1 1 A 47 47 GLY HA3 H 47 4.104 3.799 0.305 1
1 446 . 7 1 1 A 47 47 GLY C C 47 173.950 174.301 -0.351 1
1 447 . 7 1 1 A 47 47 GLY CA C 47 45.202 46.697 -1.495 1
1 448 . 7 1 1 A 48 48 THR H H 48 8.238 7.908 0.330 1
1 449 . 7 1 1 A 48 48 THR HA H 48 4.066 4.255 -0.189 1
1 454 . 7 1 1 A 48 48 THR C C 48 175.919 173.865 2.054 1
1 455 . 7 1 1 A 48 48 THR CA C 48 67.178 61.291 5.887 1
1 456 . 7 1 1 A 48 48 THR CB C 48 68.681 68.233 0.448 1
1 458 . 7 1 1 A 48 48 THR N N 48 118.267 114.451 3.816 1
1 459 . 7 1 1 A 49 49 THR HA H 49 3.981 4.187 -0.206 1
1 464 . 7 1 1 A 49 49 THR CA C 49 62.689 64.468 -1.779 1
1 465 . 7 1 1 A 49 49 THR CB C 49 69.410 69.342 0.068 1
1 467 . 7 1 1 A 50 50 ALA HA H 50 4.091 3.932 0.159 1
1 471 . 7 1 1 A 50 50 ALA C C 50 180.456 179.607 0.849 1
1 472 . 7 1 1 A 50 50 ALA CA C 50 55.053 55.464 -0.411 1
1 473 . 7 1 1 A 50 50 ALA CB C 50 18.859 18.315 0.544 1
1 474 . 7 1 1 A 51 51 LEU H H 51 7.042 7.626 -0.584 1
1 475 . 7 1 1 A 51 51 LEU HA H 51 3.446 3.476 -0.030 1
1 485 . 7 1 1 A 51 51 LEU C C 51 179.170 179.116 0.054 1
1 486 . 7 1 1 A 51 51 LEU CA C 51 57.395 57.575 -0.180 1
1 487 . 7 1 1 A 51 51 LEU CB C 51 39.050 41.487 -2.437 1
1 491 . 7 1 1 A 51 51 LEU N N 51 117.051 118.333 -1.282 1
1 492 . 7 1 1 A 52 52 TRP H H 52 7.992 8.180 -0.188 1
1 493 . 7 1 1 A 52 52 TRP HA H 52 4.412 4.325 0.087 1
1 502 . 7 1 1 A 52 52 TRP C C 52 178.636 178.941 -0.305 1
1 503 . 7 1 1 A 52 52 TRP CA C 52 60.762 60.342 0.420 1
1 504 . 7 1 1 A 52 52 TRP CB C 52 29.830 29.576 0.254 1
1 510 . 7 1 1 A 52 52 TRP N N 52 118.438 118.711 -0.273 1
1 512 . 7 1 1 A 53 53 LYS H H 53 8.239 8.279 -0.040 1
1 513 . 7 1 1 A 53 53 LYS HA H 53 4.077 4.021 0.056 1
1 522 . 7 1 1 A 53 53 LYS C C 53 179.777 178.963 0.814 1
1 523 . 7 1 1 A 53 53 LYS CA C 53 59.864 59.292 0.572 1
1 524 . 7 1 1 A 53 53 LYS CB C 53 32.077 32.414 -0.337 1
1 528 . 7 1 1 A 53 53 LYS N N 53 118.342 118.755 -0.413 1
1 529 . 7 1 1 A 54 54 HIS H H 54 7.592 8.228 -0.636 1
1 530 . 7 1 1 A 54 54 HIS HA H 54 4.351 4.395 -0.044 1
1 535 . 7 1 1 A 54 54 HIS C C 54 176.499 177.535 -1.036 1
1 536 . 7 1 1 A 54 54 HIS CA C 54 60.409 59.218 1.191 1
1 537 . 7 1 1 A 54 54 HIS CB C 54 28.701 30.195 -1.494 1
1 540 . 7 1 1 A 54 54 HIS N N 54 117.948 120.011 -2.063 1
1 541 . 7 1 1 A 55 55 LEU H H 55 8.223 8.519 -0.296 1
1 542 . 7 1 1 A 55 55 LEU HA H 55 3.829 3.943 -0.114 1
1 552 . 7 1 1 A 55 55 LEU C C 55 178.587 179.352 -0.765 1
1 553 . 7 1 1 A 55 55 LEU CA C 55 58.492 58.194 0.298 1
1 554 . 7 1 1 A 55 55 LEU CB C 55 42.293 41.480 0.813 1
1 558 . 7 1 1 A 55 55 LEU N N 55 118.224 119.809 -1.585 1
1 559 . 7 1 1 A 56 56 LYS H H 56 8.795 8.494 0.301 1
1 560 . 7 1 1 A 56 56 LYS HA H 56 3.823 4.270 -0.447 1
1 569 . 7 1 1 A 56 56 LYS C C 56 177.664 178.501 -0.837 1
1 570 . 7 1 1 A 56 56 LYS CA C 56 58.999 58.438 0.561 1
1 571 . 7 1 1 A 56 56 LYS CB C 56 32.395 32.141 0.254 1
1 575 . 7 1 1 A 56 56 LYS N N 56 115.460 117.640 -2.180 1
1 576 . 7 1 1 A 57 57 SER H H 57 7.600 7.881 -0.281 1
1 577 . 7 1 1 A 57 57 SER HA H 57 4.353 4.316 0.037 1
1 580 . 7 1 1 A 57 57 SER C C 57 176.451 175.675 0.776 1
1 581 . 7 1 1 A 57 57 SER CA C 57 60.480 61.162 -0.682 1
1 582 . 7 1 1 A 57 57 SER CB C 57 63.879 63.234 0.645 1
1 583 . 7 1 1 A 57 57 SER N N 57 110.773 114.925 -4.152 1
1 584 . 7 1 1 A 58 58 MET H H 58 7.685 7.666 0.019 1
1 585 . 7 1 1 A 58 58 MET HA H 58 4.555 4.536 0.019 1
1 593 . 7 1 1 A 58 58 MET C C 58 176.645 177.248 -0.603 1
1 594 . 7 1 1 A 58 58 MET CA C 58 55.158 55.359 -0.201 1
1 595 . 7 1 1 A 58 58 MET CB C 58 32.427 34.073 -1.646 1
1 598 . 7 1 1 A 58 58 MET N N 58 115.874 116.371 -0.497 1
1 599 . 7 1 1 A 59 59 HIS H H 59 7.685 7.817 -0.132 1
1 600 . 7 1 1 A 59 59 HIS HA H 59 5.357 4.697 0.660 1
1 605 . 7 1 1 A 59 59 HIS C C 59 175.140 175.577 -0.437 1
1 606 . 7 1 1 A 59 59 HIS CA C 59 53.114 55.597 -2.483 1
1 607 . 7 1 1 A 59 59 HIS CB C 59 29.080 29.274 -0.194 1
1 610 . 7 1 1 A 59 59 HIS N N 59 117.346 116.441 0.905 1
1 611 . 7 1 1 A 60 60 ARG H H 60 7.995 7.971 0.024 1
1 612 . 7 1 1 A 60 60 ARG HA H 60 3.771 3.831 -0.060 1
1 619 . 7 1 1 A 60 60 ARG C C 60 178.684 178.463 0.221 1
1 620 . 7 1 1 A 60 60 ARG CA C 60 60.646 59.429 1.217 1
1 621 . 7 1 1 A 60 60 ARG CB C 60 29.959 29.923 0.036 1
1 624 . 7 1 1 A 60 60 ARG N N 60 120.640 121.941 -1.301 1
1 625 . 7 1 1 A 61 61 GLU H H 61 8.929 7.994 0.935 1
1 626 . 7 1 1 A 61 61 GLU HA H 61 4.046 4.158 -0.112 1
1 631 . 7 1 1 A 61 61 GLU C C 61 179.024 179.412 -0.388 1
1 632 . 7 1 1 A 61 61 GLU CA C 61 59.775 59.344 0.431 1
1 633 . 7 1 1 A 61 61 GLU CB C 61 28.926 29.564 -0.638 1
1 635 . 7 1 1 A 61 61 GLU N N 61 117.239 119.359 -2.120 1
1 636 . 7 1 1 A 62 62 GLU H H 62 8.182 8.071 0.111 1
1 637 . 7 1 1 A 62 62 GLU HA H 62 4.078 4.012 0.066 1
1 642 . 7 1 1 A 62 62 GLU C C 62 179.242 179.010 0.232 1
1 643 . 7 1 1 A 62 62 GLU CA C 62 59.317 59.178 0.139 1
1 644 . 7 1 1 A 62 62 GLU CB C 62 28.864 29.235 -0.371 1
1 646 . 7 1 1 A 62 62 GLU N N 62 120.004 120.792 -0.788 1
1 647 . 7 1 1 A 63 63 LEU H H 63 7.849 8.199 -0.350 1
1 648 . 7 1 1 A 63 63 LEU HA H 63 4.158 3.825 0.333 1
1 658 . 7 1 1 A 63 63 LEU C C 63 179.679 178.790 0.889 1
1 659 . 7 1 1 A 63 63 LEU CA C 63 57.449 57.803 -0.354 1
1 660 . 7 1 1 A 63 63 LEU CB C 63 41.552 41.922 -0.370 1
1 664 . 7 1 1 A 63 63 LEU N N 63 119.191 120.599 -1.408 1
1 665 . 7 1 1 A 64 64 GLU H H 64 8.097 7.964 0.133 1
1 666 . 7 1 1 A 64 64 GLU HA H 64 4.113 3.991 0.122 1
1 671 . 7 1 1 A 64 64 GLU C C 64 178.951 179.267 -0.316 1
1 672 . 7 1 1 A 64 64 GLU CA C 64 58.480 59.798 -1.318 1
1 673 . 7 1 1 A 64 64 GLU CB C 64 29.548 29.312 0.236 1
1 675 . 7 1 1 A 64 64 GLU N N 64 118.834 117.259 1.575 1
1 676 . 7 1 1 A 65 65 LYS H H 65 7.854 8.031 -0.177 1
1 677 . 7 1 1 A 65 65 LYS HA H 65 4.197 4.108 0.089 1
1 685 . 7 1 1 A 65 65 LYS C C 65 177.713 178.078 -0.365 1
1 686 . 7 1 1 A 65 65 LYS CA C 65 58.154 59.135 -0.981 1
1 687 . 7 1 1 A 65 65 LYS CB C 65 32.614 32.028 0.586 1
1 691 . 7 1 1 A 65 65 LYS N N 65 119.350 121.252 -1.902 1
1 692 . 7 1 1 A 66 66 SER H H 66 7.816 7.554 0.262 1
1 693 . 7 1 1 A 66 66 SER HA H 66 4.457 4.564 -0.107 1
1 696 . 7 1 1 A 66 66 SER C C 66 174.751 173.996 0.755 1
1 697 . 7 1 1 A 66 66 SER CA C 66 58.864 58.815 0.049 1
1 698 . 7 1 1 A 66 66 SER CB C 66 64.180 63.625 0.555 1
1 699 . 7 1 1 A 66 66 SER N N 66 113.693 111.709 1.984 1
1 700 . 7 1 1 A 67 67 GLY H H 67 7.959 8.248 -0.289 1
1 701 . 7 1 1 A 67 67 GLY HA2 H 67 4.036 4.002 0.034 1
1 702 . 7 1 1 A 67 67 GLY HA3 H 67 3.924 4.017 -0.093 1
1 703 . 7 1 1 A 67 67 GLY C C 67 174.775 174.780 -0.005 1
1 704 . 7 1 1 A 67 67 GLY CA C 67 45.678 47.037 -1.359 1
1 705 . 7 1 1 A 67 67 GLY N N 67 108.980 110.146 -1.166 1
1 706 . 7 1 1 A 68 68 HIS H H 68 8.148 8.056 0.092 1
1 707 . 7 1 1 A 68 68 HIS HA H 68 4.861 4.912 -0.051 1
1 712 . 7 1 1 A 68 68 HIS C C 68 176.159 174.696 1.463 1
1 713 . 7 1 1 A 68 68 HIS CA C 68 56.004 54.148 1.856 1
1 714 . 7 1 1 A 68 68 HIS CB C 68 31.585 30.035 1.550 1
1 717 . 7 1 1 A 68 68 HIS N N 68 119.127 118.517 0.610 1
1 718 . 7 1 1 A 69 69 GLY H H 69 8.610 8.487 0.123 1
1 719 . 7 1 1 A 69 69 GLY HA2 H 69 3.903 4.014 -0.111 1
1 720 . 7 1 1 A 69 69 GLY HA3 H 69 3.903 4.030 -0.127 1
1 721 . 7 1 1 A 69 69 GLY C C 69 174.290 175.646 -1.356 1
1 722 . 7 1 1 A 69 69 GLY CA C 69 45.890 45.791 0.099 1
1 723 . 7 1 1 A 69 69 GLY N N 69 109.663 112.026 -2.363 1
1 724 . 7 1 1 A 70 70 GLN H H 70 8.325 8.094 0.231 1
1 725 . 7 1 1 A 70 70 GLN HA H 70 4.396 3.964 0.432 1
1 732 . 7 1 1 A 70 70 GLN C C 70 176.208 177.083 -0.875 1
1 733 . 7 1 1 A 70 70 GLN CA C 70 55.616 58.608 -2.992 1
1 734 . 7 1 1 A 70 70 GLN CB C 70 29.441 28.305 1.136 1
1 736 . 7 1 1 A 70 70 GLN N N 70 119.031 121.009 -1.978 1
1 738 . 7 1 1 A 71 71 SER HA H 71 4.466 4.189 0.277 1
1 741 . 7 1 1 A 71 71 SER C C 71 174.096 174.289 -0.193 1
1 742 . 7 1 1 A 71 71 SER CA C 71 58.506 57.299 1.207 1
1 743 . 7 1 1 A 71 71 SER CB C 71 64.126 61.941 2.185 1
1 744 . 7 1 1 A 72 72 GLY H H 72 8.136 7.787 0.349 1
1 745 . 7 1 1 A 72 72 GLY HA2 H 72 3.776 4.136 -0.360 1
1 746 . 7 1 1 A 72 72 GLY HA3 H 72 3.703 4.160 -0.457 1
1 747 . 7 1 1 A 72 72 GLY C C 72 171.644 171.627 0.017 1
1 748 . 7 1 1 A 72 72 GLY CA C 72 44.304 45.748 -1.444 1
1 749 . 7 1 1 A 72 72 GLY N N 72 110.082 109.876 0.206 1
1 750 . 7 1 1 A 73 73 PRO HA H 73 4.408 4.652 -0.244 1
1 757 . 7 1 1 A 73 73 PRO C C 73 175.067 175.987 -0.920 1
1 758 . 7 1 1 A 73 73 PRO CA C 73 63.151 62.706 0.445 1
1 759 . 7 1 1 A 73 73 PRO CB C 73 32.225 31.594 0.631 1
1 763 . 7 1 1 A 74 74 SER CA C 74 58.647 57.563 1.084 1
1 1 . 8 1 1 A 7 7 GLY HA2 H 7 4.246 4.200 0.046 1
1 2 . 8 1 1 A 7 7 GLY HA3 H 7 4.111 4.278 -0.167 1
1 3 . 8 1 1 A 7 7 GLY CA C 7 46.145 45.913 0.232 1
1 4 . 8 1 1 A 8 8 SER HA H 8 4.472 5.014 -0.542 1
1 7 . 8 1 1 A 8 8 SER C C 8 175.844 175.100 0.744 1
1 8 . 8 1 1 A 8 8 SER CA C 8 60.307 58.171 2.136 1
1 9 . 8 1 1 A 8 8 SER CB C 8 63.621 63.823 -0.202 1
1 10 . 8 1 1 A 9 9 GLU H H 9 9.766 8.279 1.487 1
1 11 . 8 1 1 A 9 9 GLU HA H 9 4.354 4.298 0.056 1
1 16 . 8 1 1 A 9 9 GLU C C 9 177.495 178.806 -1.311 1
1 17 . 8 1 1 A 9 9 GLU CA C 9 58.823 59.240 -0.417 1
1 18 . 8 1 1 A 9 9 GLU CB C 9 29.080 29.351 -0.271 1
1 20 . 8 1 1 A 9 9 GLU N N 9 124.626 122.019 2.607 1
1 21 . 8 1 1 A 10 10 ALA H H 10 7.788 7.973 -0.185 1
1 22 . 8 1 1 A 10 10 ALA HA H 10 3.387 3.731 -0.344 1
1 26 . 8 1 1 A 10 10 ALA C C 10 179.145 179.319 -0.174 1
1 27 . 8 1 1 A 10 10 ALA CA C 10 54.588 54.415 0.173 1
1 28 . 8 1 1 A 10 10 ALA CB C 10 17.451 17.024 0.427 1
1 29 . 8 1 1 A 10 10 ALA N N 10 120.412 120.703 -0.291 1
1 30 . 8 1 1 A 11 11 TRP H H 11 7.481 8.012 -0.531 1
1 31 . 8 1 1 A 11 11 TRP HA H 11 4.440 4.614 -0.174 1
1 40 . 8 1 1 A 11 11 TRP C C 11 177.373 179.067 -1.694 1
1 41 . 8 1 1 A 11 11 TRP CA C 11 59.460 59.810 -0.350 1
1 42 . 8 1 1 A 11 11 TRP CB C 11 29.033 29.359 -0.326 1
1 48 . 8 1 1 A 11 11 TRP N N 11 113.286 117.915 -4.629 1
1 50 . 8 1 1 A 12 12 GLU H H 12 7.771 9.051 -1.280 1
1 51 . 8 1 1 A 12 12 GLU HA H 12 4.100 4.028 0.072 1
1 56 . 8 1 1 A 12 12 GLU C C 12 177.543 177.415 0.128 1
1 57 . 8 1 1 A 12 12 GLU CA C 12 58.195 59.386 -1.191 1
1 58 . 8 1 1 A 12 12 GLU CB C 12 29.265 28.896 0.369 1
1 60 . 8 1 1 A 12 12 GLU N N 12 117.805 119.276 -1.471 1
1 61 . 8 1 1 A 13 13 TYR H H 13 7.748 8.245 -0.497 1
1 62 . 8 1 1 A 13 13 TYR HA H 13 4.181 4.545 -0.364 1
1 69 . 8 1 1 A 13 13 TYR C C 13 172.809 174.765 -1.956 1
1 70 . 8 1 1 A 13 13 TYR CA C 13 58.524 57.523 1.001 1
1 71 . 8 1 1 A 13 13 TYR CB C 13 40.503 38.364 2.139 1
1 76 . 8 1 1 A 13 13 TYR N N 13 114.665 115.774 -1.109 1
1 77 . 8 1 1 A 14 14 PHE H H 14 7.590 8.130 -0.540 1
1 78 . 8 1 1 A 14 14 PHE HA H 14 5.336 5.573 -0.237 1
1 86 . 8 1 1 A 14 14 PHE C C 14 174.508 174.723 -0.215 1
1 87 . 8 1 1 A 14 14 PHE CA C 14 56.895 56.436 0.459 1
1 88 . 8 1 1 A 14 14 PHE CB C 14 45.117 43.349 1.768 1
1 94 . 8 1 1 A 14 14 PHE N N 14 115.479 118.754 -3.275 1
1 95 . 8 1 1 A 15 15 HIS H H 15 9.046 9.438 -0.392 1
1 96 . 8 1 1 A 15 15 HIS HA H 15 5.111 5.530 -0.419 1
1 101 . 8 1 1 A 15 15 HIS C C 15 175.455 173.738 1.717 1
1 102 . 8 1 1 A 15 15 HIS CA C 15 54.841 53.934 0.907 1
1 103 . 8 1 1 A 15 15 HIS CB C 15 33.210 32.958 0.252 1
1 106 . 8 1 1 A 15 15 HIS N N 15 118.065 117.631 0.434 1
1 107 . 8 1 1 A 16 16 LEU H H 16 8.899 8.927 -0.028 1
1 108 . 8 1 1 A 16 16 LEU HA H 16 4.624 4.264 0.360 1
1 118 . 8 1 1 A 16 16 LEU C C 16 176.256 177.652 -1.396 1
1 119 . 8 1 1 A 16 16 LEU CA C 16 54.947 55.171 -0.224 1
1 120 . 8 1 1 A 16 16 LEU CB C 16 42.540 42.327 0.213 1
1 124 . 8 1 1 A 16 16 LEU N N 16 125.895 125.837 0.058 1
1 125 . 8 1 1 A 17 17 ALA H H 17 8.412 8.141 0.271 1
1 126 . 8 1 1 A 17 17 ALA HA H 17 4.574 4.886 -0.312 1
1 130 . 8 1 1 A 17 17 ALA C C 17 175.188 175.683 -0.495 1
1 131 . 8 1 1 A 17 17 ALA CA C 17 50.400 50.448 -0.048 1
1 132 . 8 1 1 A 17 17 ALA CB C 17 18.205 19.202 -0.997 1
1 133 . 8 1 1 A 17 17 ALA N N 17 128.151 125.887 2.264 1
1 134 . 8 1 1 A 18 18 PRO HA H 18 4.373 4.783 -0.410 1
1 141 . 8 1 1 A 18 18 PRO C C 18 176.621 176.071 0.550 1
1 142 . 8 1 1 A 18 18 PRO CA C 18 62.911 62.745 0.166 1
1 143 . 8 1 1 A 18 18 PRO CB C 18 32.105 33.273 -1.168 1
1 146 . 8 1 1 A 19 19 ALA H H 19 8.434 8.487 -0.053 1
1 147 . 8 1 1 A 19 19 ALA HA H 19 4.300 4.850 -0.550 1
1 151 . 8 1 1 A 19 19 ALA C C 19 177.834 176.906 0.928 1
1 152 . 8 1 1 A 19 19 ALA CA C 19 52.515 52.015 0.500 1
1 153 . 8 1 1 A 19 19 ALA CB C 19 19.359 21.402 -2.043 1
1 154 . 8 1 1 A 19 19 ALA N N 19 125.267 123.111 2.156 1
1 155 . 8 1 1 A 20 20 ARG H H 20 8.450 8.651 -0.201 1
1 156 . 8 1 1 A 20 20 ARG HA H 20 4.366 4.478 -0.112 1
1 163 . 8 1 1 A 20 20 ARG C C 20 175.795 176.230 -0.435 1
1 164 . 8 1 1 A 20 20 ARG CA C 20 55.405 57.182 -1.777 1
1 165 . 8 1 1 A 20 20 ARG CB C 20 31.685 31.322 0.363 1
1 168 . 8 1 1 A 20 20 ARG N N 20 121.353 121.124 0.229 1
1 169 . 8 1 1 A 21 21 ALA HA H 21 4.229 4.592 -0.363 1
1 173 . 8 1 1 A 21 21 ALA CA C 21 53.263 51.577 1.686 1
1 174 . 8 1 1 A 21 21 ALA CB C 21 18.577 22.468 -3.891 1
1 175 . 8 1 1 A 22 22 GLY C C 22 175.407 173.328 2.079 1
1 176 . 8 1 1 A 23 23 HIS HA H 23 4.768 5.087 -0.319 1
1 181 . 8 1 1 A 23 23 HIS C C 23 178.611 173.760 4.851 1
1 182 . 8 1 1 A 23 23 HIS CA C 23 55.004 54.402 0.602 1
1 183 . 8 1 1 A 23 23 HIS CB C 23 30.750 31.839 -1.089 1
1 186 . 8 1 1 A 24 24 HIS HA H 24 4.673 4.699 -0.026 1
1 191 . 8 1 1 A 24 24 HIS C C 24 179.801 176.015 3.786 1
1 192 . 8 1 1 A 24 24 HIS CA C 24 55.610 54.691 0.919 1
1 193 . 8 1 1 A 24 24 HIS CB C 24 31.802 30.201 1.601 1
1 196 . 8 1 1 A 25 25 PRO HA H 25 4.429 4.433 -0.004 1
1 203 . 8 1 1 A 25 25 PRO C C 25 176.888 177.050 -0.162 1
1 204 . 8 1 1 A 25 25 PRO CA C 25 63.902 64.131 -0.229 1
1 205 . 8 1 1 A 25 25 PRO CB C 25 32.124 31.636 0.488 1
1 208 . 8 1 1 A 26 26 ASN H H 26 9.047 7.992 1.055 1
1 209 . 8 1 1 A 26 26 ASN HA H 26 4.788 4.814 -0.026 1
1 214 . 8 1 1 A 26 26 ASN C C 26 175.140 175.747 -0.607 1
1 215 . 8 1 1 A 26 26 ASN CA C 26 53.185 51.983 1.202 1
1 216 . 8 1 1 A 26 26 ASN CB C 26 38.696 38.402 0.294 1
1 217 . 8 1 1 A 26 26 ASN N N 26 118.042 116.006 2.036 1
1 219 . 8 1 1 A 27 27 GLN H H 27 8.231 7.714 0.517 1
1 220 . 8 1 1 A 27 27 GLN HA H 27 4.226 4.127 0.099 1
1 227 . 8 1 1 A 27 27 GLN C C 27 175.212 174.530 0.682 1
1 228 . 8 1 1 A 27 27 GLN CA C 27 57.149 58.243 -1.094 1
1 229 . 8 1 1 A 27 27 GLN CB C 27 29.741 29.407 0.334 1
1 231 . 8 1 1 A 27 27 GLN N N 27 119.679 121.077 -1.398 1
1 233 . 8 1 1 A 28 28 TYR H H 28 8.059 7.790 0.269 1
1 234 . 8 1 1 A 28 28 TYR HA H 28 5.109 5.183 -0.074 1
1 241 . 8 1 1 A 28 28 TYR C C 28 174.290 174.344 -0.054 1
1 242 . 8 1 1 A 28 28 TYR CA C 28 56.779 56.771 0.008 1
1 243 . 8 1 1 A 28 28 TYR CB C 28 41.333 42.311 -0.978 1
1 248 . 8 1 1 A 28 28 TYR N N 28 116.269 114.999 1.270 1
1 249 . 8 1 1 A 29 29 ALA H H 29 8.837 9.255 -0.418 1
1 250 . 8 1 1 A 29 29 ALA HA H 29 5.054 5.280 -0.226 1
1 254 . 8 1 1 A 29 29 ALA C C 29 175.795 175.645 0.150 1
1 255 . 8 1 1 A 29 29 ALA CA C 29 50.612 50.212 0.400 1
1 256 . 8 1 1 A 29 29 ALA CB C 29 23.046 21.609 1.437 1
1 257 . 8 1 1 A 29 29 ALA N N 29 123.222 122.927 0.295 1
1 258 . 8 1 1 A 30 30 THR H H 30 9.217 8.954 0.263 1
1 259 . 8 1 1 A 30 30 THR HA H 30 4.828 4.693 0.135 1
1 264 . 8 1 1 A 30 30 THR C C 30 173.659 173.888 -0.229 1
1 265 . 8 1 1 A 30 30 THR CA C 30 62.383 62.020 0.363 1
1 266 . 8 1 1 A 30 30 THR CB C 30 70.058 69.134 0.924 1
1 268 . 8 1 1 A 30 30 THR N N 30 119.265 118.122 1.143 1
1 269 . 8 1 1 A 31 31 CYS H H 31 8.927 8.922 0.005 1
1 270 . 8 1 1 A 31 31 CYS HA H 31 3.606 3.999 -0.393 1
1 273 . 8 1 1 A 31 31 CYS C C 31 177.956 175.596 2.360 1
1 274 . 8 1 1 A 31 31 CYS CA C 31 59.743 59.633 0.110 1
1 275 . 8 1 1 A 31 31 CYS CB C 31 29.971 28.455 1.516 1
1 276 . 8 1 1 A 31 31 CYS N N 31 130.893 126.618 4.275 1
1 277 . 8 1 1 A 32 32 ARG H H 32 9.393 9.012 0.381 1
1 278 . 8 1 1 A 32 32 ARG HA H 32 4.043 4.256 -0.213 1
1 285 . 8 1 1 A 32 32 ARG C C 32 176.693 177.179 -0.486 1
1 286 . 8 1 1 A 32 32 ARG CA C 32 58.471 58.141 0.330 1
1 287 . 8 1 1 A 32 32 ARG CB C 32 30.553 30.153 0.400 1
1 290 . 8 1 1 A 32 32 ARG N N 32 130.594 127.867 2.727 1
1 291 . 8 1 1 A 33 33 LEU H H 33 9.135 7.519 1.616 1
1 292 . 8 1 1 A 33 33 LEU HA H 33 4.243 4.089 0.154 1
1 302 . 8 1 1 A 33 33 LEU C C 33 178.150 178.444 -0.294 1
1 303 . 8 1 1 A 33 33 LEU CA C 33 56.709 57.349 -0.640 1
1 304 . 8 1 1 A 33 33 LEU CB C 33 41.387 42.629 -1.242 1
1 308 . 8 1 1 A 33 33 LEU N N 33 121.037 118.073 2.964 1
1 309 . 8 1 1 A 34 34 CYS H H 34 8.186 7.982 0.204 1
1 310 . 8 1 1 A 34 34 CYS HA H 34 5.200 4.676 0.524 1
1 313 . 8 1 1 A 34 34 CYS C C 34 176.329 175.456 0.873 1
1 314 . 8 1 1 A 34 34 CYS CA C 34 58.365 59.593 -1.228 1
1 315 . 8 1 1 A 34 34 CYS CB C 34 32.799 29.795 3.004 1
1 316 . 8 1 1 A 34 34 CYS N N 34 115.308 113.164 2.144 1
1 317 . 8 1 1 A 35 35 GLY H H 35 8.027 7.968 0.059 1
1 318 . 8 1 1 A 35 35 GLY HA2 H 35 3.808 4.022 -0.214 1
1 319 . 8 1 1 A 35 35 GLY HA3 H 35 4.196 4.030 0.166 1
1 320 . 8 1 1 A 35 35 GLY C C 35 173.683 174.114 -0.431 1
1 321 . 8 1 1 A 35 35 GLY CA C 35 46.313 45.429 0.884 1
1 322 . 8 1 1 A 35 35 GLY N N 35 113.546 110.473 3.073 1
1 323 . 8 1 1 A 36 36 ARG H H 36 8.272 7.257 1.015 1
1 324 . 8 1 1 A 36 36 ARG HA H 36 4.273 4.669 -0.396 1
1 331 . 8 1 1 A 36 36 ARG C C 36 175.625 175.911 -0.286 1
1 332 . 8 1 1 A 36 36 ARG CA C 36 56.774 54.640 2.134 1
1 333 . 8 1 1 A 36 36 ARG CB C 36 31.112 31.971 -0.859 1
1 336 . 8 1 1 A 36 36 ARG N N 36 121.138 119.401 1.737 1
1 337 . 8 1 1 A 37 37 GLN H H 37 8.509 8.668 -0.159 1
1 338 . 8 1 1 A 37 37 GLN HA H 37 4.888 4.867 0.021 1
1 345 . 8 1 1 A 37 37 GLN C C 37 176.184 175.106 1.078 1
1 346 . 8 1 1 A 37 37 GLN CA C 37 55.475 55.862 -0.387 1
1 347 . 8 1 1 A 37 37 GLN CB C 37 29.426 29.924 -0.498 1
1 349 . 8 1 1 A 37 37 GLN N N 37 120.322 120.632 -0.310 1
1 351 . 8 1 1 A 38 38 VAL H H 38 9.281 9.160 0.121 1
1 352 . 8 1 1 A 38 38 VAL HA H 38 4.216 4.559 -0.343 1
1 360 . 8 1 1 A 38 38 VAL C C 38 174.848 173.620 1.228 1
1 361 . 8 1 1 A 38 38 VAL CA C 38 61.243 60.687 0.556 1
1 362 . 8 1 1 A 38 38 VAL CB C 38 34.146 34.657 -0.511 1
1 365 . 8 1 1 A 38 38 VAL N N 38 125.546 124.627 0.919 1
1 366 . 8 1 1 A 39 39 SER H H 39 8.590 8.444 0.146 1
1 367 . 8 1 1 A 39 39 SER HA H 39 4.348 4.557 -0.209 1
1 370 . 8 1 1 A 39 39 SER C C 39 174.800 174.903 -0.103 1
1 371 . 8 1 1 A 39 39 SER CA C 39 57.731 55.536 2.195 1
1 372 . 8 1 1 A 39 39 SER CB C 39 64.121 63.701 0.420 1
1 373 . 8 1 1 A 39 39 SER N N 39 120.236 121.619 -1.383 1
1 374 . 8 1 1 A 40 40 ARG H H 40 8.684 8.775 -0.091 1
1 375 . 8 1 1 A 40 40 ARG HA H 40 4.189 3.962 0.227 1
1 382 . 8 1 1 A 40 40 ARG C C 40 176.062 176.244 -0.182 1
1 383 . 8 1 1 A 40 40 ARG CA C 40 56.674 57.726 -1.052 1
1 384 . 8 1 1 A 40 40 ARG CB C 40 31.302 30.917 0.385 1
1 387 . 8 1 1 A 40 40 ARG N N 40 123.390 125.799 -2.409 1
1 388 . 8 1 1 A 41 41 GLY H H 41 7.970 7.268 0.702 1
1 389 . 8 1 1 A 41 41 GLY HA2 H 41 3.920 4.051 -0.131 1
1 390 . 8 1 1 A 41 41 GLY HA3 H 41 4.216 4.061 0.155 1
1 391 . 8 1 1 A 41 41 GLY C C 41 171.037 174.010 -2.973 1
1 392 . 8 1 1 A 41 41 GLY CA C 41 44.269 44.629 -0.360 1
1 393 . 8 1 1 A 41 41 GLY N N 41 107.997 104.029 3.968 1
1 394 . 8 1 1 A 42 42 PRO HA H 42 4.462 4.503 -0.041 1
1 401 . 8 1 1 A 42 42 PRO C C 42 176.451 176.386 0.065 1
1 402 . 8 1 1 A 42 42 PRO CA C 42 63.179 63.981 -0.802 1
1 403 . 8 1 1 A 42 42 PRO CB C 42 32.144 31.754 0.390 1
1 406 . 8 1 1 A 43 43 GLY H H 43 8.388 7.365 1.023 1
1 407 . 8 1 1 A 43 43 GLY HA2 H 43 4.065 4.086 -0.021 1
1 408 . 8 1 1 A 43 43 GLY HA3 H 43 3.808 4.092 -0.284 1
1 409 . 8 1 1 A 43 43 GLY CA C 43 45.278 45.787 -0.509 1
1 410 . 8 1 1 A 43 43 GLY N N 43 109.409 105.614 3.795 1
1 411 . 8 1 1 A 44 44 VAL H H 44 7.913 8.599 -0.686 1
1 412 . 8 1 1 A 44 44 VAL HA H 44 4.107 4.171 -0.064 1
1 420 . 8 1 1 A 44 44 VAL CA C 44 62.352 62.340 0.012 1
1 421 . 8 1 1 A 44 44 VAL CB C 44 32.777 32.106 0.671 1
1 424 . 8 1 1 A 44 44 VAL N N 44 117.689 121.833 -4.144 1
1 425 . 8 1 1 A 45 45 ASN HA H 45 4.713 4.591 0.122 1
1 430 . 8 1 1 A 45 45 ASN CA C 45 53.201 54.046 -0.845 1
1 431 . 8 1 1 A 45 45 ASN CB C 45 38.671 39.415 -0.744 1
1 433 . 8 1 1 A 46 46 VAL H H 46 7.994 8.602 -0.608 1
1 434 . 8 1 1 A 46 46 VAL HA H 46 4.148 4.340 -0.192 1
1 439 . 8 1 1 A 46 46 VAL C C 46 177.834 175.749 2.085 1
1 440 . 8 1 1 A 46 46 VAL CA C 46 62.726 62.284 0.442 1
1 441 . 8 1 1 A 46 46 VAL CB C 46 32.476 30.461 2.015 1
1 443 . 8 1 1 A 46 46 VAL N N 46 118.432 121.507 -3.075 1
1 444 . 8 1 1 A 47 47 GLY HA2 H 47 3.702 4.177 -0.475 1
1 445 . 8 1 1 A 47 47 GLY HA3 H 47 4.104 4.179 -0.075 1
1 446 . 8 1 1 A 47 47 GLY C C 47 173.950 172.337 1.613 1
1 447 . 8 1 1 A 47 47 GLY CA C 47 45.202 46.293 -1.091 1
1 448 . 8 1 1 A 48 48 THR H H 48 8.238 8.285 -0.047 1
1 449 . 8 1 1 A 48 48 THR HA H 48 4.066 4.329 -0.263 1
1 454 . 8 1 1 A 48 48 THR C C 48 175.919 173.879 2.040 1
1 455 . 8 1 1 A 48 48 THR CA C 48 67.178 61.575 5.603 1
1 456 . 8 1 1 A 48 48 THR CB C 48 68.681 66.955 1.726 1
1 458 . 8 1 1 A 48 48 THR N N 48 118.267 117.665 0.602 1
1 459 . 8 1 1 A 49 49 THR HA H 49 3.981 4.110 -0.129 1
1 464 . 8 1 1 A 49 49 THR CA C 49 62.689 64.517 -1.828 1
1 465 . 8 1 1 A 49 49 THR CB C 49 69.410 69.322 0.088 1
1 467 . 8 1 1 A 50 50 ALA HA H 50 4.091 3.916 0.175 1
1 471 . 8 1 1 A 50 50 ALA C C 50 180.456 179.466 0.990 1
1 472 . 8 1 1 A 50 50 ALA CA C 50 55.053 55.584 -0.531 1
1 473 . 8 1 1 A 50 50 ALA CB C 50 18.859 18.282 0.577 1
1 474 . 8 1 1 A 51 51 LEU H H 51 7.042 7.755 -0.713 1
1 475 . 8 1 1 A 51 51 LEU HA H 51 3.446 3.201 0.245 1
1 485 . 8 1 1 A 51 51 LEU C C 51 179.170 179.079 0.091 1
1 486 . 8 1 1 A 51 51 LEU CA C 51 57.395 57.490 -0.095 1
1 487 . 8 1 1 A 51 51 LEU CB C 51 39.050 41.132 -2.082 1
1 491 . 8 1 1 A 51 51 LEU N N 51 117.051 117.709 -0.658 1
1 492 . 8 1 1 A 52 52 TRP H H 52 7.992 8.184 -0.192 1
1 493 . 8 1 1 A 52 52 TRP HA H 52 4.412 4.271 0.141 1
1 502 . 8 1 1 A 52 52 TRP C C 52 178.636 178.917 -0.281 1
1 503 . 8 1 1 A 52 52 TRP CA C 52 60.762 60.186 0.576 1
1 504 . 8 1 1 A 52 52 TRP CB C 52 29.830 29.418 0.412 1
1 510 . 8 1 1 A 52 52 TRP N N 52 118.438 118.642 -0.204 1
1 512 . 8 1 1 A 53 53 LYS H H 53 8.239 7.780 0.459 1
1 513 . 8 1 1 A 53 53 LYS HA H 53 4.077 3.972 0.105 1
1 522 . 8 1 1 A 53 53 LYS C C 53 179.777 178.952 0.825 1
1 523 . 8 1 1 A 53 53 LYS CA C 53 59.864 59.273 0.591 1
1 524 . 8 1 1 A 53 53 LYS CB C 53 32.077 32.367 -0.290 1
1 528 . 8 1 1 A 53 53 LYS N N 53 118.342 118.688 -0.346 1
1 529 . 8 1 1 A 54 54 HIS H H 54 7.592 7.794 -0.202 1
1 530 . 8 1 1 A 54 54 HIS HA H 54 4.351 4.355 -0.004 1
1 535 . 8 1 1 A 54 54 HIS C C 54 176.499 177.298 -0.799 1
1 536 . 8 1 1 A 54 54 HIS CA C 54 60.409 59.217 1.192 1
1 537 . 8 1 1 A 54 54 HIS CB C 54 28.701 29.942 -1.241 1
1 540 . 8 1 1 A 54 54 HIS N N 54 117.948 120.172 -2.224 1
1 541 . 8 1 1 A 55 55 LEU H H 55 8.223 8.435 -0.212 1
1 542 . 8 1 1 A 55 55 LEU HA H 55 3.829 3.923 -0.094 1
1 552 . 8 1 1 A 55 55 LEU C C 55 178.587 179.401 -0.814 1
1 553 . 8 1 1 A 55 55 LEU CA C 55 58.492 58.094 0.398 1
1 554 . 8 1 1 A 55 55 LEU CB C 55 42.293 41.357 0.936 1
1 558 . 8 1 1 A 55 55 LEU N N 55 118.224 119.651 -1.427 1
1 559 . 8 1 1 A 56 56 LYS H H 56 8.795 8.443 0.352 1
1 560 . 8 1 1 A 56 56 LYS HA H 56 3.823 4.257 -0.434 1
1 569 . 8 1 1 A 56 56 LYS C C 56 177.664 178.311 -0.647 1
1 570 . 8 1 1 A 56 56 LYS CA C 56 58.999 58.417 0.582 1
1 571 . 8 1 1 A 56 56 LYS CB C 56 32.395 32.133 0.262 1
1 575 . 8 1 1 A 56 56 LYS N N 56 115.460 117.688 -2.228 1
1 576 . 8 1 1 A 57 57 SER H H 57 7.600 7.822 -0.222 1
1 577 . 8 1 1 A 57 57 SER HA H 57 4.353 4.328 0.025 1
1 580 . 8 1 1 A 57 57 SER C C 57 176.451 175.679 0.772 1
1 581 . 8 1 1 A 57 57 SER CA C 57 60.480 61.135 -0.655 1
1 582 . 8 1 1 A 57 57 SER CB C 57 63.879 63.227 0.652 1
1 583 . 8 1 1 A 57 57 SER N N 57 110.773 114.910 -4.137 1
1 584 . 8 1 1 A 58 58 MET H H 58 7.685 7.649 0.036 1
1 585 . 8 1 1 A 58 58 MET HA H 58 4.555 4.519 0.036 1
1 593 . 8 1 1 A 58 58 MET C C 58 176.645 177.278 -0.633 1
1 594 . 8 1 1 A 58 58 MET CA C 58 55.158 55.568 -0.410 1
1 595 . 8 1 1 A 58 58 MET CB C 58 32.427 33.649 -1.222 1
1 598 . 8 1 1 A 58 58 MET N N 58 115.874 116.328 -0.454 1
1 599 . 8 1 1 A 59 59 HIS H H 59 7.685 7.702 -0.017 1
1 600 . 8 1 1 A 59 59 HIS HA H 59 5.357 4.654 0.703 1
1 605 . 8 1 1 A 59 59 HIS C C 59 175.140 175.618 -0.478 1
1 606 . 8 1 1 A 59 59 HIS CA C 59 53.114 55.719 -2.605 1
1 607 . 8 1 1 A 59 59 HIS CB C 59 29.080 29.211 -0.131 1
1 610 . 8 1 1 A 59 59 HIS N N 59 117.346 117.097 0.249 1
1 611 . 8 1 1 A 60 60 ARG H H 60 7.995 7.964 0.031 1
1 612 . 8 1 1 A 60 60 ARG HA H 60 3.771 3.809 -0.038 1
1 619 . 8 1 1 A 60 60 ARG C C 60 178.684 178.692 -0.008 1
1 620 . 8 1 1 A 60 60 ARG CA C 60 60.646 59.630 1.016 1
1 621 . 8 1 1 A 60 60 ARG CB C 60 29.959 29.987 -0.028 1
1 624 . 8 1 1 A 60 60 ARG N N 60 120.640 122.034 -1.394 1
1 625 . 8 1 1 A 61 61 GLU H H 61 8.929 8.130 0.799 1
1 626 . 8 1 1 A 61 61 GLU HA H 61 4.046 4.168 -0.122 1
1 631 . 8 1 1 A 61 61 GLU C C 61 179.024 179.292 -0.268 1
1 632 . 8 1 1 A 61 61 GLU CA C 61 59.775 58.533 1.242 1
1 633 . 8 1 1 A 61 61 GLU CB C 61 28.926 29.380 -0.454 1
1 635 . 8 1 1 A 61 61 GLU N N 61 117.239 118.876 -1.637 1
1 636 . 8 1 1 A 62 62 GLU H H 62 8.182 8.029 0.153 1
1 637 . 8 1 1 A 62 62 GLU HA H 62 4.078 4.011 0.067 1
1 642 . 8 1 1 A 62 62 GLU C C 62 179.242 179.450 -0.208 1
1 643 . 8 1 1 A 62 62 GLU CA C 62 59.317 59.173 0.144 1
1 644 . 8 1 1 A 62 62 GLU CB C 62 28.864 29.730 -0.866 1
1 646 . 8 1 1 A 62 62 GLU N N 62 120.004 120.120 -0.116 1
1 647 . 8 1 1 A 63 63 LEU H H 63 7.849 8.454 -0.605 1
1 648 . 8 1 1 A 63 63 LEU HA H 63 4.158 3.961 0.197 1
1 658 . 8 1 1 A 63 63 LEU C C 63 179.679 178.974 0.705 1
1 659 . 8 1 1 A 63 63 LEU CA C 63 57.449 57.943 -0.494 1
1 660 . 8 1 1 A 63 63 LEU CB C 63 41.552 41.892 -0.340 1
1 664 . 8 1 1 A 63 63 LEU N N 63 119.191 120.334 -1.143 1
1 665 . 8 1 1 A 64 64 GLU H H 64 8.097 8.179 -0.082 1
1 666 . 8 1 1 A 64 64 GLU HA H 64 4.113 3.964 0.149 1
1 671 . 8 1 1 A 64 64 GLU C C 64 178.951 179.114 -0.163 1
1 672 . 8 1 1 A 64 64 GLU CA C 64 58.480 59.828 -1.348 1
1 673 . 8 1 1 A 64 64 GLU CB C 64 29.548 29.365 0.183 1
1 675 . 8 1 1 A 64 64 GLU N N 64 118.834 117.105 1.729 1
1 676 . 8 1 1 A 65 65 LYS H H 65 7.854 7.835 0.019 1
1 677 . 8 1 1 A 65 65 LYS HA H 65 4.197 4.082 0.115 1
1 685 . 8 1 1 A 65 65 LYS C C 65 177.713 177.193 0.520 1
1 686 . 8 1 1 A 65 65 LYS CA C 65 58.154 59.210 -1.056 1
1 687 . 8 1 1 A 65 65 LYS CB C 65 32.614 32.205 0.409 1
1 691 . 8 1 1 A 65 65 LYS N N 65 119.350 121.862 -2.512 1
1 692 . 8 1 1 A 66 66 SER H H 66 7.816 7.727 0.089 1
1 693 . 8 1 1 A 66 66 SER HA H 66 4.457 4.456 0.001 1
1 696 . 8 1 1 A 66 66 SER C C 66 174.751 175.721 -0.970 1
1 697 . 8 1 1 A 66 66 SER CA C 66 58.864 58.658 0.206 1
1 698 . 8 1 1 A 66 66 SER CB C 66 64.180 64.727 -0.547 1
1 699 . 8 1 1 A 66 66 SER N N 66 113.693 115.542 -1.849 1
1 700 . 8 1 1 A 67 67 GLY H H 67 7.959 8.480 -0.521 1
1 701 . 8 1 1 A 67 67 GLY HA2 H 67 4.036 3.738 0.298 1
1 702 . 8 1 1 A 67 67 GLY HA3 H 67 3.924 3.785 0.139 1
1 703 . 8 1 1 A 67 67 GLY C C 67 174.775 175.406 -0.631 1
1 704 . 8 1 1 A 67 67 GLY CA C 67 45.678 47.342 -1.664 1
1 705 . 8 1 1 A 67 67 GLY N N 67 108.980 111.509 -2.529 1
1 706 . 8 1 1 A 68 68 HIS H H 68 8.148 7.250 0.898 1
1 707 . 8 1 1 A 68 68 HIS HA H 68 4.861 4.428 0.433 1
1 712 . 8 1 1 A 68 68 HIS C C 68 176.159 175.540 0.619 1
1 713 . 8 1 1 A 68 68 HIS CA C 68 56.004 57.231 -1.227 1
1 714 . 8 1 1 A 68 68 HIS CB C 68 31.585 30.497 1.088 1
1 717 . 8 1 1 A 68 68 HIS N N 68 119.127 119.314 -0.187 1
1 718 . 8 1 1 A 69 69 GLY H H 69 8.610 8.347 0.263 1
1 719 . 8 1 1 A 69 69 GLY HA2 H 69 3.903 3.930 -0.027 1
1 720 . 8 1 1 A 69 69 GLY HA3 H 69 3.903 3.931 -0.028 1
1 721 . 8 1 1 A 69 69 GLY C C 69 174.290 174.350 -0.060 1
1 722 . 8 1 1 A 69 69 GLY CA C 69 45.890 45.558 0.332 1
1 723 . 8 1 1 A 69 69 GLY N N 69 109.663 110.109 -0.446 1
1 724 . 8 1 1 A 70 70 GLN H H 70 8.325 8.022 0.303 1
1 725 . 8 1 1 A 70 70 GLN HA H 70 4.396 4.519 -0.123 1
1 732 . 8 1 1 A 70 70 GLN C C 70 176.208 174.013 2.195 1
1 733 . 8 1 1 A 70 70 GLN CA C 70 55.616 55.234 0.382 1
1 734 . 8 1 1 A 70 70 GLN CB C 70 29.441 28.441 1.000 1
1 736 . 8 1 1 A 70 70 GLN N N 70 119.031 117.056 1.975 1
1 738 . 8 1 1 A 71 71 SER HA H 71 4.466 4.634 -0.168 1
1 741 . 8 1 1 A 71 71 SER C C 71 174.096 173.474 0.622 1
1 742 . 8 1 1 A 71 71 SER CA C 71 58.506 56.474 2.032 1
1 743 . 8 1 1 A 71 71 SER CB C 71 64.126 63.533 0.593 1
1 744 . 8 1 1 A 72 72 GLY H H 72 8.136 8.244 -0.108 1
1 745 . 8 1 1 A 72 72 GLY HA2 H 72 3.776 3.807 -0.031 1
1 746 . 8 1 1 A 72 72 GLY HA3 H 72 3.703 3.831 -0.128 1
1 747 . 8 1 1 A 72 72 GLY C C 72 171.644 173.823 -2.179 1
1 748 . 8 1 1 A 72 72 GLY CA C 72 44.304 46.991 -2.687 1
1 749 . 8 1 1 A 72 72 GLY N N 72 110.082 114.852 -4.770 1
1 750 . 8 1 1 A 73 73 PRO HA H 73 4.408 4.635 -0.227 1
1 757 . 8 1 1 A 73 73 PRO C C 73 175.067 176.049 -0.982 1
1 758 . 8 1 1 A 73 73 PRO CA C 73 63.151 62.542 0.609 1
1 759 . 8 1 1 A 73 73 PRO CB C 73 32.225 33.050 -0.825 1
1 763 . 8 1 1 A 74 74 SER CA C 74 58.647 57.389 1.258 1
1 1 . 9 1 1 A 7 7 GLY HA2 H 7 4.246 3.974 0.272 1
1 2 . 9 1 1 A 7 7 GLY HA3 H 7 4.111 3.986 0.125 1
1 3 . 9 1 1 A 7 7 GLY CA C 7 46.145 47.118 -0.973 1
1 4 . 9 1 1 A 8 8 SER HA H 8 4.472 4.417 0.055 1
1 7 . 9 1 1 A 8 8 SER C C 8 175.844 174.626 1.218 1
1 8 . 9 1 1 A 8 8 SER CA C 8 60.307 59.510 0.797 1
1 9 . 9 1 1 A 8 8 SER CB C 8 63.621 61.285 2.336 1
1 10 . 9 1 1 A 9 9 GLU H H 9 9.766 8.327 1.439 1
1 11 . 9 1 1 A 9 9 GLU HA H 9 4.354 4.364 -0.010 1
1 16 . 9 1 1 A 9 9 GLU C C 9 177.495 178.913 -1.418 1
1 17 . 9 1 1 A 9 9 GLU CA C 9 58.823 59.100 -0.277 1
1 18 . 9 1 1 A 9 9 GLU CB C 9 29.080 29.777 -0.697 1
1 20 . 9 1 1 A 9 9 GLU N N 9 124.626 121.674 2.952 1
1 21 . 9 1 1 A 10 10 ALA H H 10 7.788 8.105 -0.317 1
1 22 . 9 1 1 A 10 10 ALA HA H 10 3.387 3.689 -0.302 1
1 26 . 9 1 1 A 10 10 ALA C C 10 179.145 179.410 -0.265 1
1 27 . 9 1 1 A 10 10 ALA CA C 10 54.588 54.479 0.109 1
1 28 . 9 1 1 A 10 10 ALA CB C 10 17.451 17.084 0.367 1
1 29 . 9 1 1 A 10 10 ALA N N 10 120.412 120.818 -0.406 1
1 30 . 9 1 1 A 11 11 TRP H H 11 7.481 8.066 -0.585 1
1 31 . 9 1 1 A 11 11 TRP HA H 11 4.440 4.598 -0.158 1
1 40 . 9 1 1 A 11 11 TRP C C 11 177.373 179.045 -1.672 1
1 41 . 9 1 1 A 11 11 TRP CA C 11 59.460 59.712 -0.252 1
1 42 . 9 1 1 A 11 11 TRP CB C 11 29.033 29.390 -0.357 1
1 48 . 9 1 1 A 11 11 TRP N N 11 113.286 118.100 -4.814 1
1 50 . 9 1 1 A 12 12 GLU H H 12 7.771 9.270 -1.499 1
1 51 . 9 1 1 A 12 12 GLU HA H 12 4.100 4.093 0.007 1
1 56 . 9 1 1 A 12 12 GLU C C 12 177.543 177.261 0.282 1
1 57 . 9 1 1 A 12 12 GLU CA C 12 58.195 59.461 -1.266 1
1 58 . 9 1 1 A 12 12 GLU CB C 12 29.265 28.952 0.313 1
1 60 . 9 1 1 A 12 12 GLU N N 12 117.805 119.366 -1.561 1
1 61 . 9 1 1 A 13 13 TYR H H 13 7.748 8.367 -0.619 1
1 62 . 9 1 1 A 13 13 TYR HA H 13 4.181 4.577 -0.396 1
1 69 . 9 1 1 A 13 13 TYR C C 13 172.809 174.936 -2.127 1
1 70 . 9 1 1 A 13 13 TYR CA C 13 58.524 57.701 0.823 1
1 71 . 9 1 1 A 13 13 TYR CB C 13 40.503 38.380 2.123 1
1 76 . 9 1 1 A 13 13 TYR N N 13 114.665 115.821 -1.156 1
1 77 . 9 1 1 A 14 14 PHE H H 14 7.590 8.178 -0.588 1
1 78 . 9 1 1 A 14 14 PHE HA H 14 5.336 5.580 -0.244 1
1 86 . 9 1 1 A 14 14 PHE C C 14 174.508 174.748 -0.240 1
1 87 . 9 1 1 A 14 14 PHE CA C 14 56.895 56.609 0.286 1
1 88 . 9 1 1 A 14 14 PHE CB C 14 45.117 43.367 1.750 1
1 94 . 9 1 1 A 14 14 PHE N N 14 115.479 118.776 -3.297 1
1 95 . 9 1 1 A 15 15 HIS H H 15 9.046 9.364 -0.318 1
1 96 . 9 1 1 A 15 15 HIS HA H 15 5.111 5.630 -0.519 1
1 101 . 9 1 1 A 15 15 HIS C C 15 175.455 173.449 2.006 1
1 102 . 9 1 1 A 15 15 HIS CA C 15 54.841 53.998 0.843 1
1 103 . 9 1 1 A 15 15 HIS CB C 15 33.210 33.155 0.055 1
1 106 . 9 1 1 A 15 15 HIS N N 15 118.065 117.748 0.317 1
1 107 . 9 1 1 A 16 16 LEU H H 16 8.899 8.934 -0.035 1
1 108 . 9 1 1 A 16 16 LEU HA H 16 4.624 4.217 0.407 1
1 118 . 9 1 1 A 16 16 LEU C C 16 176.256 177.803 -1.547 1
1 119 . 9 1 1 A 16 16 LEU CA C 16 54.947 55.122 -0.175 1
1 120 . 9 1 1 A 16 16 LEU CB C 16 42.540 42.289 0.251 1
1 124 . 9 1 1 A 16 16 LEU N N 16 125.895 124.727 1.168 1
1 125 . 9 1 1 A 17 17 ALA H H 17 8.412 8.597 -0.185 1
1 126 . 9 1 1 A 17 17 ALA HA H 17 4.574 4.890 -0.316 1
1 130 . 9 1 1 A 17 17 ALA C C 17 175.188 175.641 -0.453 1
1 131 . 9 1 1 A 17 17 ALA CA C 17 50.400 50.559 -0.159 1
1 132 . 9 1 1 A 17 17 ALA CB C 17 18.205 19.049 -0.844 1
1 133 . 9 1 1 A 17 17 ALA N N 17 128.151 126.704 1.447 1
1 134 . 9 1 1 A 18 18 PRO HA H 18 4.373 4.529 -0.156 1
1 141 . 9 1 1 A 18 18 PRO C C 18 176.621 176.767 -0.146 1
1 142 . 9 1 1 A 18 18 PRO CA C 18 62.911 62.475 0.436 1
1 143 . 9 1 1 A 18 18 PRO CB C 18 32.105 32.272 -0.167 1
1 146 . 9 1 1 A 19 19 ALA H H 19 8.434 8.361 0.073 1
1 147 . 9 1 1 A 19 19 ALA HA H 19 4.300 4.295 0.005 1
1 151 . 9 1 1 A 19 19 ALA C C 19 177.834 176.693 1.141 1
1 152 . 9 1 1 A 19 19 ALA CA C 19 52.515 53.364 -0.849 1
1 153 . 9 1 1 A 19 19 ALA CB C 19 19.359 19.019 0.340 1
1 154 . 9 1 1 A 19 19 ALA N N 19 125.267 125.362 -0.095 1
1 155 . 9 1 1 A 20 20 ARG H H 20 8.450 8.693 -0.243 1
1 156 . 9 1 1 A 20 20 ARG HA H 20 4.366 4.580 -0.214 1
1 163 . 9 1 1 A 20 20 ARG C C 20 175.795 177.532 -1.737 1
1 164 . 9 1 1 A 20 20 ARG CA C 20 55.405 56.983 -1.578 1
1 165 . 9 1 1 A 20 20 ARG CB C 20 31.685 31.718 -0.033 1
1 168 . 9 1 1 A 20 20 ARG N N 20 121.353 124.138 -2.785 1
1 169 . 9 1 1 A 21 21 ALA HA H 21 4.229 4.198 0.031 1
1 173 . 9 1 1 A 21 21 ALA CA C 21 53.263 51.554 1.709 1
1 174 . 9 1 1 A 21 21 ALA CB C 21 18.577 18.126 0.451 1
1 175 . 9 1 1 A 22 22 GLY C C 22 175.407 174.193 1.214 1
1 176 . 9 1 1 A 23 23 HIS HA H 23 4.768 4.515 0.253 1
1 181 . 9 1 1 A 23 23 HIS C C 23 178.611 175.575 3.036 1
1 182 . 9 1 1 A 23 23 HIS CA C 23 55.004 56.920 -1.916 1
1 183 . 9 1 1 A 23 23 HIS CB C 23 30.750 30.111 0.639 1
1 186 . 9 1 1 A 24 24 HIS HA H 24 4.673 4.594 0.079 1
1 191 . 9 1 1 A 24 24 HIS C C 24 179.801 175.799 4.002 1
1 192 . 9 1 1 A 24 24 HIS CA C 24 55.610 54.892 0.718 1
1 193 . 9 1 1 A 24 24 HIS CB C 24 31.802 30.169 1.633 1
1 196 . 9 1 1 A 25 25 PRO HA H 25 4.429 4.483 -0.054 1
1 203 . 9 1 1 A 25 25 PRO C C 25 176.888 176.570 0.318 1
1 204 . 9 1 1 A 25 25 PRO CA C 25 63.902 64.260 -0.358 1
1 205 . 9 1 1 A 25 25 PRO CB C 25 32.124 31.649 0.475 1
1 208 . 9 1 1 A 26 26 ASN H H 26 9.047 8.319 0.728 1
1 209 . 9 1 1 A 26 26 ASN HA H 26 4.788 4.903 -0.115 1
1 214 . 9 1 1 A 26 26 ASN C C 26 175.140 175.299 -0.159 1
1 215 . 9 1 1 A 26 26 ASN CA C 26 53.185 52.563 0.622 1
1 216 . 9 1 1 A 26 26 ASN CB C 26 38.696 38.938 -0.242 1
1 217 . 9 1 1 A 26 26 ASN N N 26 118.042 117.359 0.683 1
1 219 . 9 1 1 A 27 27 GLN H H 27 8.231 7.662 0.569 1
1 220 . 9 1 1 A 27 27 GLN HA H 27 4.226 4.253 -0.027 1
1 227 . 9 1 1 A 27 27 GLN C C 27 175.212 174.708 0.504 1
1 228 . 9 1 1 A 27 27 GLN CA C 27 57.149 57.940 -0.791 1
1 229 . 9 1 1 A 27 27 GLN CB C 27 29.741 29.524 0.217 1
1 231 . 9 1 1 A 27 27 GLN N N 27 119.679 119.332 0.347 1
1 233 . 9 1 1 A 28 28 TYR H H 28 8.059 7.850 0.209 1
1 234 . 9 1 1 A 28 28 TYR HA H 28 5.109 5.194 -0.085 1
1 241 . 9 1 1 A 28 28 TYR C C 28 174.290 174.682 -0.392 1
1 242 . 9 1 1 A 28 28 TYR CA C 28 56.779 56.684 0.095 1
1 243 . 9 1 1 A 28 28 TYR CB C 28 41.333 42.283 -0.950 1
1 248 . 9 1 1 A 28 28 TYR N N 28 116.269 115.545 0.724 1
1 249 . 9 1 1 A 29 29 ALA H H 29 8.837 8.661 0.176 1
1 250 . 9 1 1 A 29 29 ALA HA H 29 5.054 5.341 -0.287 1
1 254 . 9 1 1 A 29 29 ALA C C 29 175.795 175.570 0.225 1
1 255 . 9 1 1 A 29 29 ALA CA C 29 50.612 50.538 0.074 1
1 256 . 9 1 1 A 29 29 ALA CB C 29 23.046 21.916 1.130 1
1 257 . 9 1 1 A 29 29 ALA N N 29 123.222 122.834 0.388 1
1 258 . 9 1 1 A 30 30 THR H H 30 9.217 8.964 0.253 1
1 259 . 9 1 1 A 30 30 THR HA H 30 4.828 4.570 0.258 1
1 264 . 9 1 1 A 30 30 THR C C 30 173.659 174.005 -0.346 1
1 265 . 9 1 1 A 30 30 THR CA C 30 62.383 62.203 0.180 1
1 266 . 9 1 1 A 30 30 THR CB C 30 70.058 69.213 0.845 1
1 268 . 9 1 1 A 30 30 THR N N 30 119.265 118.534 0.731 1
1 269 . 9 1 1 A 31 31 CYS H H 31 8.927 8.796 0.131 1
1 270 . 9 1 1 A 31 31 CYS HA H 31 3.606 3.742 -0.136 1
1 273 . 9 1 1 A 31 31 CYS C C 31 177.956 175.577 2.379 1
1 274 . 9 1 1 A 31 31 CYS CA C 31 59.743 59.494 0.249 1
1 275 . 9 1 1 A 31 31 CYS CB C 31 29.971 28.572 1.399 1
1 276 . 9 1 1 A 31 31 CYS N N 31 130.893 126.408 4.485 1
1 277 . 9 1 1 A 32 32 ARG H H 32 9.393 8.952 0.441 1
1 278 . 9 1 1 A 32 32 ARG HA H 32 4.043 4.240 -0.197 1
1 285 . 9 1 1 A 32 32 ARG C C 32 176.693 176.954 -0.261 1
1 286 . 9 1 1 A 32 32 ARG CA C 32 58.471 57.862 0.609 1
1 287 . 9 1 1 A 32 32 ARG CB C 32 30.553 30.048 0.505 1
1 290 . 9 1 1 A 32 32 ARG N N 32 130.594 127.816 2.778 1
1 291 . 9 1 1 A 33 33 LEU H H 33 9.135 7.526 1.609 1
1 292 . 9 1 1 A 33 33 LEU HA H 33 4.243 4.094 0.149 1
1 302 . 9 1 1 A 33 33 LEU C C 33 178.150 178.446 -0.296 1
1 303 . 9 1 1 A 33 33 LEU CA C 33 56.709 57.071 -0.362 1
1 304 . 9 1 1 A 33 33 LEU CB C 33 41.387 42.860 -1.473 1
1 308 . 9 1 1 A 33 33 LEU N N 33 121.037 117.827 3.210 1
1 309 . 9 1 1 A 34 34 CYS H H 34 8.186 7.996 0.190 1
1 310 . 9 1 1 A 34 34 CYS HA H 34 5.200 4.707 0.493 1
1 313 . 9 1 1 A 34 34 CYS C C 34 176.329 175.555 0.774 1
1 314 . 9 1 1 A 34 34 CYS CA C 34 58.365 59.471 -1.106 1
1 315 . 9 1 1 A 34 34 CYS CB C 34 32.799 30.204 2.595 1
1 316 . 9 1 1 A 34 34 CYS N N 34 115.308 113.113 2.195 1
1 317 . 9 1 1 A 35 35 GLY H H 35 8.027 8.246 -0.219 1
1 318 . 9 1 1 A 35 35 GLY HA2 H 35 3.808 4.014 -0.206 1
1 319 . 9 1 1 A 35 35 GLY HA3 H 35 4.196 4.031 0.165 1
1 320 . 9 1 1 A 35 35 GLY C C 35 173.683 174.084 -0.401 1
1 321 . 9 1 1 A 35 35 GLY CA C 35 46.313 45.425 0.888 1
1 322 . 9 1 1 A 35 35 GLY N N 35 113.546 110.307 3.239 1
1 323 . 9 1 1 A 36 36 ARG H H 36 8.272 7.248 1.024 1
1 324 . 9 1 1 A 36 36 ARG HA H 36 4.273 4.569 -0.296 1
1 331 . 9 1 1 A 36 36 ARG C C 36 175.625 176.058 -0.433 1
1 332 . 9 1 1 A 36 36 ARG CA C 36 56.774 55.052 1.722 1
1 333 . 9 1 1 A 36 36 ARG CB C 36 31.112 31.723 -0.611 1
1 336 . 9 1 1 A 36 36 ARG N N 36 121.138 119.594 1.544 1
1 337 . 9 1 1 A 37 37 GLN H H 37 8.509 8.665 -0.156 1
1 338 . 9 1 1 A 37 37 GLN HA H 37 4.888 4.863 0.025 1
1 345 . 9 1 1 A 37 37 GLN C C 37 176.184 175.046 1.138 1
1 346 . 9 1 1 A 37 37 GLN CA C 37 55.475 55.924 -0.449 1
1 347 . 9 1 1 A 37 37 GLN CB C 37 29.426 29.441 -0.015 1
1 349 . 9 1 1 A 37 37 GLN N N 37 120.322 121.596 -1.274 1
1 351 . 9 1 1 A 38 38 VAL H H 38 9.281 9.134 0.147 1
1 352 . 9 1 1 A 38 38 VAL HA H 38 4.216 4.414 -0.198 1
1 360 . 9 1 1 A 38 38 VAL C C 38 174.848 175.287 -0.439 1
1 361 . 9 1 1 A 38 38 VAL CA C 38 61.243 61.298 -0.055 1
1 362 . 9 1 1 A 38 38 VAL CB C 38 34.146 34.476 -0.330 1
1 365 . 9 1 1 A 38 38 VAL N N 38 125.546 124.907 0.639 1
1 366 . 9 1 1 A 39 39 SER H H 39 8.590 8.373 0.217 1
1 367 . 9 1 1 A 39 39 SER HA H 39 4.348 4.601 -0.253 1
1 370 . 9 1 1 A 39 39 SER C C 39 174.800 173.956 0.844 1
1 371 . 9 1 1 A 39 39 SER CA C 39 57.731 55.795 1.936 1
1 372 . 9 1 1 A 39 39 SER CB C 39 64.121 64.104 0.017 1
1 373 . 9 1 1 A 39 39 SER N N 39 120.236 121.180 -0.944 1
1 374 . 9 1 1 A 40 40 ARG H H 40 8.684 8.999 -0.315 1
1 375 . 9 1 1 A 40 40 ARG HA H 40 4.189 4.297 -0.108 1
1 382 . 9 1 1 A 40 40 ARG C C 40 176.062 176.180 -0.118 1
1 383 . 9 1 1 A 40 40 ARG CA C 40 56.674 56.524 0.150 1
1 384 . 9 1 1 A 40 40 ARG CB C 40 31.302 31.345 -0.043 1
1 387 . 9 1 1 A 40 40 ARG N N 40 123.390 122.896 0.494 1
1 388 . 9 1 1 A 41 41 GLY H H 41 7.970 7.240 0.730 1
1 389 . 9 1 1 A 41 41 GLY HA2 H 41 3.920 4.076 -0.156 1
1 390 . 9 1 1 A 41 41 GLY HA3 H 41 4.216 4.077 0.139 1
1 391 . 9 1 1 A 41 41 GLY C C 41 171.037 173.925 -2.888 1
1 392 . 9 1 1 A 41 41 GLY CA C 41 44.269 44.442 -0.173 1
1 393 . 9 1 1 A 41 41 GLY N N 41 107.997 104.676 3.321 1
1 394 . 9 1 1 A 42 42 PRO HA H 42 4.462 4.525 -0.063 1
1 401 . 9 1 1 A 42 42 PRO C C 42 176.451 176.474 -0.023 1
1 402 . 9 1 1 A 42 42 PRO CA C 42 63.179 63.891 -0.712 1
1 403 . 9 1 1 A 42 42 PRO CB C 42 32.144 31.540 0.604 1
1 406 . 9 1 1 A 43 43 GLY H H 43 8.388 7.406 0.982 1
1 407 . 9 1 1 A 43 43 GLY HA2 H 43 4.065 4.092 -0.027 1
1 408 . 9 1 1 A 43 43 GLY HA3 H 43 3.808 4.105 -0.297 1
1 409 . 9 1 1 A 43 43 GLY CA C 43 45.278 45.875 -0.597 1
1 410 . 9 1 1 A 43 43 GLY N N 43 109.409 105.576 3.833 1
1 411 . 9 1 1 A 44 44 VAL H H 44 7.913 8.547 -0.634 1
1 412 . 9 1 1 A 44 44 VAL HA H 44 4.107 4.041 0.066 1
1 420 . 9 1 1 A 44 44 VAL CA C 44 62.352 62.733 -0.381 1
1 421 . 9 1 1 A 44 44 VAL CB C 44 32.777 32.779 -0.002 1
1 424 . 9 1 1 A 44 44 VAL N N 44 117.689 122.620 -4.931 1
1 425 . 9 1 1 A 45 45 ASN HA H 45 4.713 4.628 0.085 1
1 430 . 9 1 1 A 45 45 ASN CA C 45 53.201 53.273 -0.072 1
1 431 . 9 1 1 A 45 45 ASN CB C 45 38.671 38.738 -0.067 1
1 433 . 9 1 1 A 46 46 VAL H H 46 7.994 8.586 -0.592 1
1 434 . 9 1 1 A 46 46 VAL HA H 46 4.148 4.387 -0.239 1
1 439 . 9 1 1 A 46 46 VAL C C 46 177.834 175.913 1.921 1
1 440 . 9 1 1 A 46 46 VAL CA C 46 62.726 62.419 0.307 1
1 441 . 9 1 1 A 46 46 VAL CB C 46 32.476 30.482 1.994 1
1 443 . 9 1 1 A 46 46 VAL N N 46 118.432 121.887 -3.455 1
1 444 . 9 1 1 A 47 47 GLY HA2 H 47 3.702 4.179 -0.477 1
1 445 . 9 1 1 A 47 47 GLY HA3 H 47 4.104 4.179 -0.075 1
1 446 . 9 1 1 A 47 47 GLY C C 47 173.950 172.319 1.631 1
1 447 . 9 1 1 A 47 47 GLY CA C 47 45.202 46.211 -1.009 1
1 448 . 9 1 1 A 48 48 THR H H 48 8.238 8.304 -0.066 1
1 449 . 9 1 1 A 48 48 THR HA H 48 4.066 4.262 -0.196 1
1 454 . 9 1 1 A 48 48 THR C C 48 175.919 174.247 1.672 1
1 455 . 9 1 1 A 48 48 THR CA C 48 67.178 61.440 5.738 1
1 456 . 9 1 1 A 48 48 THR CB C 48 68.681 67.175 1.506 1
1 458 . 9 1 1 A 48 48 THR N N 48 118.267 118.123 0.144 1
1 459 . 9 1 1 A 49 49 THR HA H 49 3.981 4.116 -0.135 1
1 464 . 9 1 1 A 49 49 THR CA C 49 62.689 64.308 -1.619 1
1 465 . 9 1 1 A 49 49 THR CB C 49 69.410 69.539 -0.129 1
1 467 . 9 1 1 A 50 50 ALA HA H 50 4.091 3.918 0.173 1
1 471 . 9 1 1 A 50 50 ALA C C 50 180.456 179.585 0.871 1
1 472 . 9 1 1 A 50 50 ALA CA C 50 55.053 55.516 -0.463 1
1 473 . 9 1 1 A 50 50 ALA CB C 50 18.859 18.295 0.564 1
1 474 . 9 1 1 A 51 51 LEU H H 51 7.042 7.706 -0.664 1
1 475 . 9 1 1 A 51 51 LEU HA H 51 3.446 3.347 0.099 1
1 485 . 9 1 1 A 51 51 LEU C C 51 179.170 179.248 -0.078 1
1 486 . 9 1 1 A 51 51 LEU CA C 51 57.395 57.379 0.016 1
1 487 . 9 1 1 A 51 51 LEU CB C 51 39.050 40.957 -1.907 1
1 491 . 9 1 1 A 51 51 LEU N N 51 117.051 117.805 -0.754 1
1 492 . 9 1 1 A 52 52 TRP H H 52 7.992 8.314 -0.322 1
1 493 . 9 1 1 A 52 52 TRP HA H 52 4.412 4.269 0.143 1
1 502 . 9 1 1 A 52 52 TRP C C 52 178.636 178.922 -0.286 1
1 503 . 9 1 1 A 52 52 TRP CA C 52 60.762 60.120 0.642 1
1 504 . 9 1 1 A 52 52 TRP CB C 52 29.830 29.238 0.592 1
1 510 . 9 1 1 A 52 52 TRP N N 52 118.438 118.858 -0.420 1
1 512 . 9 1 1 A 53 53 LYS H H 53 8.239 7.723 0.516 1
1 513 . 9 1 1 A 53 53 LYS HA H 53 4.077 4.002 0.075 1
1 522 . 9 1 1 A 53 53 LYS C C 53 179.777 178.852 0.925 1
1 523 . 9 1 1 A 53 53 LYS CA C 53 59.864 59.464 0.400 1
1 524 . 9 1 1 A 53 53 LYS CB C 53 32.077 32.428 -0.351 1
1 528 . 9 1 1 A 53 53 LYS N N 53 118.342 118.845 -0.503 1
1 529 . 9 1 1 A 54 54 HIS H H 54 7.592 7.955 -0.363 1
1 530 . 9 1 1 A 54 54 HIS HA H 54 4.351 4.319 0.032 1
1 535 . 9 1 1 A 54 54 HIS C C 54 176.499 177.466 -0.967 1
1 536 . 9 1 1 A 54 54 HIS CA C 54 60.409 59.327 1.082 1
1 537 . 9 1 1 A 54 54 HIS CB C 54 28.701 30.238 -1.537 1
1 540 . 9 1 1 A 54 54 HIS N N 54 117.948 120.329 -2.381 1
1 541 . 9 1 1 A 55 55 LEU H H 55 8.223 8.667 -0.444 1
1 542 . 9 1 1 A 55 55 LEU HA H 55 3.829 3.901 -0.072 1
1 552 . 9 1 1 A 55 55 LEU C C 55 178.587 179.397 -0.810 1
1 553 . 9 1 1 A 55 55 LEU CA C 55 58.492 58.168 0.324 1
1 554 . 9 1 1 A 55 55 LEU CB C 55 42.293 41.463 0.830 1
1 558 . 9 1 1 A 55 55 LEU N N 55 118.224 119.917 -1.693 1
1 559 . 9 1 1 A 56 56 LYS H H 56 8.795 8.513 0.282 1
1 560 . 9 1 1 A 56 56 LYS HA H 56 3.823 4.263 -0.440 1
1 569 . 9 1 1 A 56 56 LYS C C 56 177.664 178.391 -0.727 1
1 570 . 9 1 1 A 56 56 LYS CA C 56 58.999 58.553 0.446 1
1 571 . 9 1 1 A 56 56 LYS CB C 56 32.395 31.942 0.453 1
1 575 . 9 1 1 A 56 56 LYS N N 56 115.460 117.685 -2.225 1
1 576 . 9 1 1 A 57 57 SER H H 57 7.600 7.824 -0.224 1
1 577 . 9 1 1 A 57 57 SER HA H 57 4.353 4.307 0.046 1
1 580 . 9 1 1 A 57 57 SER C C 57 176.451 175.650 0.801 1
1 581 . 9 1 1 A 57 57 SER CA C 57 60.480 61.185 -0.705 1
1 582 . 9 1 1 A 57 57 SER CB C 57 63.879 63.264 0.615 1
1 583 . 9 1 1 A 57 57 SER N N 57 110.773 114.907 -4.134 1
1 584 . 9 1 1 A 58 58 MET H H 58 7.685 7.612 0.073 1
1 585 . 9 1 1 A 58 58 MET HA H 58 4.555 4.523 0.032 1
1 593 . 9 1 1 A 58 58 MET C C 58 176.645 177.150 -0.505 1
1 594 . 9 1 1 A 58 58 MET CA C 58 55.158 55.338 -0.180 1
1 595 . 9 1 1 A 58 58 MET CB C 58 32.427 34.079 -1.652 1
1 598 . 9 1 1 A 58 58 MET N N 58 115.874 116.217 -0.343 1
1 599 . 9 1 1 A 59 59 HIS H H 59 7.685 7.973 -0.288 1
1 600 . 9 1 1 A 59 59 HIS HA H 59 5.357 4.711 0.646 1
1 605 . 9 1 1 A 59 59 HIS C C 59 175.140 175.588 -0.448 1
1 606 . 9 1 1 A 59 59 HIS CA C 59 53.114 55.762 -2.648 1
1 607 . 9 1 1 A 59 59 HIS CB C 59 29.080 29.205 -0.125 1
1 610 . 9 1 1 A 59 59 HIS N N 59 117.346 116.439 0.907 1
1 611 . 9 1 1 A 60 60 ARG H H 60 7.995 7.965 0.030 1
1 612 . 9 1 1 A 60 60 ARG HA H 60 3.771 3.847 -0.076 1
1 619 . 9 1 1 A 60 60 ARG C C 60 178.684 178.490 0.194 1
1 620 . 9 1 1 A 60 60 ARG CA C 60 60.646 59.412 1.234 1
1 621 . 9 1 1 A 60 60 ARG CB C 60 29.959 29.946 0.013 1
1 624 . 9 1 1 A 60 60 ARG N N 60 120.640 121.906 -1.266 1
1 625 . 9 1 1 A 61 61 GLU H H 61 8.929 8.081 0.848 1
1 626 . 9 1 1 A 61 61 GLU HA H 61 4.046 4.169 -0.123 1
1 631 . 9 1 1 A 61 61 GLU C C 61 179.024 179.375 -0.351 1
1 632 . 9 1 1 A 61 61 GLU CA C 61 59.775 59.366 0.409 1
1 633 . 9 1 1 A 61 61 GLU CB C 61 28.926 29.597 -0.671 1
1 635 . 9 1 1 A 61 61 GLU N N 61 117.239 119.370 -2.131 1
1 636 . 9 1 1 A 62 62 GLU H H 62 8.182 8.093 0.089 1
1 637 . 9 1 1 A 62 62 GLU HA H 62 4.078 4.047 0.031 1
1 642 . 9 1 1 A 62 62 GLU C C 62 179.242 179.063 0.179 1
1 643 . 9 1 1 A 62 62 GLU CA C 62 59.317 59.287 0.030 1
1 644 . 9 1 1 A 62 62 GLU CB C 62 28.864 29.352 -0.488 1
1 646 . 9 1 1 A 62 62 GLU N N 62 120.004 121.129 -1.125 1
1 647 . 9 1 1 A 63 63 LEU H H 63 7.849 8.167 -0.318 1
1 648 . 9 1 1 A 63 63 LEU HA H 63 4.158 4.082 0.076 1
1 658 . 9 1 1 A 63 63 LEU C C 63 179.679 178.931 0.748 1
1 659 . 9 1 1 A 63 63 LEU CA C 63 57.449 57.834 -0.385 1
1 660 . 9 1 1 A 63 63 LEU CB C 63 41.552 41.865 -0.313 1
1 664 . 9 1 1 A 63 63 LEU N N 63 119.191 120.319 -1.128 1
1 665 . 9 1 1 A 64 64 GLU H H 64 8.097 7.986 0.111 1
1 666 . 9 1 1 A 64 64 GLU HA H 64 4.113 4.007 0.106 1
1 671 . 9 1 1 A 64 64 GLU C C 64 178.951 179.612 -0.661 1
1 672 . 9 1 1 A 64 64 GLU CA C 64 58.480 59.818 -1.338 1
1 673 . 9 1 1 A 64 64 GLU CB C 64 29.548 29.194 0.354 1
1 675 . 9 1 1 A 64 64 GLU N N 64 118.834 117.768 1.066 1
1 676 . 9 1 1 A 65 65 LYS H H 65 7.854 7.905 -0.051 1
1 677 . 9 1 1 A 65 65 LYS HA H 65 4.197 4.080 0.117 1
1 685 . 9 1 1 A 65 65 LYS C C 65 177.713 178.069 -0.356 1
1 686 . 9 1 1 A 65 65 LYS CA C 65 58.154 59.219 -1.065 1
1 687 . 9 1 1 A 65 65 LYS CB C 65 32.614 32.414 0.200 1
1 691 . 9 1 1 A 65 65 LYS N N 65 119.350 120.347 -0.997 1
1 692 . 9 1 1 A 66 66 SER H H 66 7.816 7.853 -0.037 1
1 693 . 9 1 1 A 66 66 SER HA H 66 4.457 4.531 -0.074 1
1 696 . 9 1 1 A 66 66 SER C C 66 174.751 173.467 1.284 1
1 697 . 9 1 1 A 66 66 SER CA C 66 58.864 58.393 0.471 1
1 698 . 9 1 1 A 66 66 SER CB C 66 64.180 63.545 0.635 1
1 699 . 9 1 1 A 66 66 SER N N 66 113.693 111.612 2.081 1
1 700 . 9 1 1 A 67 67 GLY H H 67 7.959 7.762 0.197 1
1 701 . 9 1 1 A 67 67 GLY HA2 H 67 4.036 3.862 0.174 1
1 702 . 9 1 1 A 67 67 GLY HA3 H 67 3.924 3.908 0.016 1
1 703 . 9 1 1 A 67 67 GLY C C 67 174.775 174.411 0.364 1
1 704 . 9 1 1 A 67 67 GLY CA C 67 45.678 47.011 -1.333 1
1 705 . 9 1 1 A 67 67 GLY N N 67 108.980 110.221 -1.241 1
1 706 . 9 1 1 A 68 68 HIS H H 68 8.148 7.781 0.367 1
1 707 . 9 1 1 A 68 68 HIS HA H 68 4.861 4.928 -0.067 1
1 712 . 9 1 1 A 68 68 HIS C C 68 176.159 174.363 1.796 1
1 713 . 9 1 1 A 68 68 HIS CA C 68 56.004 54.304 1.700 1
1 714 . 9 1 1 A 68 68 HIS CB C 68 31.585 31.206 0.379 1
1 717 . 9 1 1 A 68 68 HIS N N 68 119.127 117.586 1.541 1
1 718 . 9 1 1 A 69 69 GLY H H 69 8.610 8.705 -0.095 1
1 719 . 9 1 1 A 69 69 GLY HA2 H 69 3.903 4.382 -0.479 1
1 720 . 9 1 1 A 69 69 GLY HA3 H 69 3.903 4.385 -0.482 1
1 721 . 9 1 1 A 69 69 GLY C C 69 174.290 173.918 0.372 1
1 722 . 9 1 1 A 69 69 GLY CA C 69 45.890 44.661 1.229 1
1 723 . 9 1 1 A 69 69 GLY N N 69 109.663 110.319 -0.656 1
1 724 . 9 1 1 A 70 70 GLN H H 70 8.325 8.765 -0.440 1
1 725 . 9 1 1 A 70 70 GLN HA H 70 4.396 3.838 0.558 1
1 732 . 9 1 1 A 70 70 GLN C C 70 176.208 175.711 0.497 1
1 733 . 9 1 1 A 70 70 GLN CA C 70 55.616 56.667 -1.051 1
1 734 . 9 1 1 A 70 70 GLN CB C 70 29.441 26.382 3.059 1
1 736 . 9 1 1 A 70 70 GLN N N 70 119.031 121.116 -2.085 1
1 738 . 9 1 1 A 71 71 SER HA H 71 4.466 4.400 0.066 1
1 741 . 9 1 1 A 71 71 SER C C 71 174.096 173.197 0.899 1
1 742 . 9 1 1 A 71 71 SER CA C 71 58.506 58.184 0.322 1
1 743 . 9 1 1 A 71 71 SER CB C 71 64.126 62.862 1.264 1
1 744 . 9 1 1 A 72 72 GLY H H 72 8.136 7.105 1.031 1
1 745 . 9 1 1 A 72 72 GLY HA2 H 72 3.776 3.936 -0.160 1
1 746 . 9 1 1 A 72 72 GLY HA3 H 72 3.703 3.984 -0.281 1
1 747 . 9 1 1 A 72 72 GLY C C 72 171.644 173.946 -2.302 1
1 748 . 9 1 1 A 72 72 GLY CA C 72 44.304 45.433 -1.129 1
1 749 . 9 1 1 A 72 72 GLY N N 72 110.082 108.669 1.413 1
1 750 . 9 1 1 A 73 73 PRO HA H 73 4.408 4.440 -0.032 1
1 757 . 9 1 1 A 73 73 PRO C C 73 175.067 177.117 -2.050 1
1 758 . 9 1 1 A 73 73 PRO CA C 73 63.151 63.893 -0.742 1
1 759 . 9 1 1 A 73 73 PRO CB C 73 32.225 31.693 0.532 1
1 763 . 9 1 1 A 74 74 SER CA C 74 58.647 57.983 0.664 1
1 1 . 10 1 1 A 7 7 GLY HA2 H 7 4.246 4.239 0.007 1
1 2 . 10 1 1 A 7 7 GLY HA3 H 7 4.111 4.293 -0.182 1
1 3 . 10 1 1 A 7 7 GLY CA C 7 46.145 45.479 0.666 1
1 4 . 10 1 1 A 8 8 SER HA H 8 4.472 4.748 -0.276 1
1 7 . 10 1 1 A 8 8 SER C C 8 175.844 175.776 0.068 1
1 8 . 10 1 1 A 8 8 SER CA C 8 60.307 58.543 1.764 1
1 9 . 10 1 1 A 8 8 SER CB C 8 63.621 63.829 -0.208 1
1 10 . 10 1 1 A 9 9 GLU H H 9 9.766 8.228 1.538 1
1 11 . 10 1 1 A 9 9 GLU HA H 9 4.354 4.065 0.289 1
1 16 . 10 1 1 A 9 9 GLU C C 9 177.495 178.328 -0.833 1
1 17 . 10 1 1 A 9 9 GLU CA C 9 58.823 59.382 -0.559 1
1 18 . 10 1 1 A 9 9 GLU CB C 9 29.080 29.288 -0.208 1
1 20 . 10 1 1 A 9 9 GLU N N 9 124.626 122.680 1.946 1
1 21 . 10 1 1 A 10 10 ALA H H 10 7.788 8.037 -0.249 1
1 22 . 10 1 1 A 10 10 ALA HA H 10 3.387 3.748 -0.361 1
1 26 . 10 1 1 A 10 10 ALA C C 10 179.145 179.635 -0.490 1
1 27 . 10 1 1 A 10 10 ALA CA C 10 54.588 54.468 0.120 1
1 28 . 10 1 1 A 10 10 ALA CB C 10 17.451 17.144 0.307 1
1 29 . 10 1 1 A 10 10 ALA N N 10 120.412 121.037 -0.625 1
1 30 . 10 1 1 A 11 11 TRP H H 11 7.481 8.145 -0.664 1
1 31 . 10 1 1 A 11 11 TRP HA H 11 4.440 4.633 -0.193 1
1 40 . 10 1 1 A 11 11 TRP C C 11 177.373 179.011 -1.638 1
1 41 . 10 1 1 A 11 11 TRP CA C 11 59.460 59.672 -0.212 1
1 42 . 10 1 1 A 11 11 TRP CB C 11 29.033 29.288 -0.255 1
1 48 . 10 1 1 A 11 11 TRP N N 11 113.286 118.447 -5.161 1
1 50 . 10 1 1 A 12 12 GLU H H 12 7.771 9.085 -1.314 1
1 51 . 10 1 1 A 12 12 GLU HA H 12 4.100 4.138 -0.038 1
1 56 . 10 1 1 A 12 12 GLU C C 12 177.543 176.901 0.642 1
1 57 . 10 1 1 A 12 12 GLU CA C 12 58.195 58.606 -0.411 1
1 58 . 10 1 1 A 12 12 GLU CB C 12 29.265 28.974 0.291 1
1 60 . 10 1 1 A 12 12 GLU N N 12 117.805 118.777 -0.972 1
1 61 . 10 1 1 A 13 13 TYR H H 13 7.748 8.428 -0.680 1
1 62 . 10 1 1 A 13 13 TYR HA H 13 4.181 4.672 -0.491 1
1 69 . 10 1 1 A 13 13 TYR C C 13 172.809 174.829 -2.020 1
1 70 . 10 1 1 A 13 13 TYR CA C 13 58.524 57.813 0.711 1
1 71 . 10 1 1 A 13 13 TYR CB C 13 40.503 38.996 1.507 1
1 76 . 10 1 1 A 13 13 TYR N N 13 114.665 116.266 -1.601 1
1 77 . 10 1 1 A 14 14 PHE H H 14 7.590 7.989 -0.399 1
1 78 . 10 1 1 A 14 14 PHE HA H 14 5.336 5.568 -0.232 1
1 86 . 10 1 1 A 14 14 PHE C C 14 174.508 174.624 -0.116 1
1 87 . 10 1 1 A 14 14 PHE CA C 14 56.895 56.660 0.235 1
1 88 . 10 1 1 A 14 14 PHE CB C 14 45.117 43.488 1.629 1
1 94 . 10 1 1 A 14 14 PHE N N 14 115.479 118.140 -2.661 1
1 95 . 10 1 1 A 15 15 HIS H H 15 9.046 9.358 -0.312 1
1 96 . 10 1 1 A 15 15 HIS HA H 15 5.111 5.556 -0.445 1
1 101 . 10 1 1 A 15 15 HIS C C 15 175.455 173.613 1.842 1
1 102 . 10 1 1 A 15 15 HIS CA C 15 54.841 53.925 0.916 1
1 103 . 10 1 1 A 15 15 HIS CB C 15 33.210 32.991 0.219 1
1 106 . 10 1 1 A 15 15 HIS N N 15 118.065 117.795 0.270 1
1 107 . 10 1 1 A 16 16 LEU H H 16 8.899 9.004 -0.105 1
1 108 . 10 1 1 A 16 16 LEU HA H 16 4.624 4.319 0.305 1
1 118 . 10 1 1 A 16 16 LEU C C 16 176.256 177.341 -1.085 1
1 119 . 10 1 1 A 16 16 LEU CA C 16 54.947 55.255 -0.308 1
1 120 . 10 1 1 A 16 16 LEU CB C 16 42.540 42.038 0.502 1
1 124 . 10 1 1 A 16 16 LEU N N 16 125.895 124.905 0.990 1
1 125 . 10 1 1 A 17 17 ALA H H 17 8.412 8.152 0.260 1
1 126 . 10 1 1 A 17 17 ALA HA H 17 4.574 5.015 -0.441 1
1 130 . 10 1 1 A 17 17 ALA C C 17 175.188 175.828 -0.640 1
1 131 . 10 1 1 A 17 17 ALA CA C 17 50.400 50.304 0.096 1
1 132 . 10 1 1 A 17 17 ALA CB C 17 18.205 19.690 -1.485 1
1 133 . 10 1 1 A 17 17 ALA N N 17 128.151 127.084 1.067 1
1 134 . 10 1 1 A 18 18 PRO HA H 18 4.373 4.673 -0.300 1
1 141 . 10 1 1 A 18 18 PRO C C 18 176.621 176.168 0.453 1
1 142 . 10 1 1 A 18 18 PRO CA C 18 62.911 62.502 0.409 1
1 143 . 10 1 1 A 18 18 PRO CB C 18 32.105 32.462 -0.357 1
1 146 . 10 1 1 A 19 19 ALA H H 19 8.434 8.428 0.006 1
1 147 . 10 1 1 A 19 19 ALA HA H 19 4.300 4.721 -0.421 1
1 151 . 10 1 1 A 19 19 ALA C C 19 177.834 177.333 0.501 1
1 152 . 10 1 1 A 19 19 ALA CA C 19 52.515 50.856 1.659 1
1 153 . 10 1 1 A 19 19 ALA CB C 19 19.359 22.278 -2.919 1
1 154 . 10 1 1 A 19 19 ALA N N 19 125.267 124.375 0.892 1
1 155 . 10 1 1 A 20 20 ARG H H 20 8.450 8.624 -0.174 1
1 156 . 10 1 1 A 20 20 ARG HA H 20 4.366 4.542 -0.176 1
1 163 . 10 1 1 A 20 20 ARG C C 20 175.795 176.585 -0.790 1
1 164 . 10 1 1 A 20 20 ARG CA C 20 55.405 56.574 -1.169 1
1 165 . 10 1 1 A 20 20 ARG CB C 20 31.685 31.711 -0.026 1
1 168 . 10 1 1 A 20 20 ARG N N 20 121.353 119.345 2.008 1
1 169 . 10 1 1 A 21 21 ALA HA H 21 4.229 4.378 -0.149 1
1 173 . 10 1 1 A 21 21 ALA CA C 21 53.263 51.670 1.593 1
1 174 . 10 1 1 A 21 21 ALA CB C 21 18.577 20.128 -1.551 1
1 175 . 10 1 1 A 22 22 GLY C C 22 175.407 175.380 0.027 1
1 176 . 10 1 1 A 23 23 HIS HA H 23 4.768 4.218 0.550 1
1 181 . 10 1 1 A 23 23 HIS C C 23 178.611 175.240 3.371 1
1 182 . 10 1 1 A 23 23 HIS CA C 23 55.004 57.035 -2.031 1
1 183 . 10 1 1 A 23 23 HIS CB C 23 30.750 30.242 0.508 1
1 186 . 10 1 1 A 24 24 HIS HA H 24 4.673 4.629 0.044 1
1 191 . 10 1 1 A 24 24 HIS C C 24 179.801 175.876 3.925 1
1 192 . 10 1 1 A 24 24 HIS CA C 24 55.610 54.775 0.835 1
1 193 . 10 1 1 A 24 24 HIS CB C 24 31.802 30.072 1.730 1
1 196 . 10 1 1 A 25 25 PRO HA H 25 4.429 4.436 -0.007 1
1 203 . 10 1 1 A 25 25 PRO C C 25 176.888 176.314 0.574 1
1 204 . 10 1 1 A 25 25 PRO CA C 25 63.902 64.086 -0.184 1
1 205 . 10 1 1 A 25 25 PRO CB C 25 32.124 31.491 0.633 1
1 208 . 10 1 1 A 26 26 ASN H H 26 9.047 8.220 0.827 1
1 209 . 10 1 1 A 26 26 ASN HA H 26 4.788 5.048 -0.260 1
1 214 . 10 1 1 A 26 26 ASN C C 26 175.140 175.237 -0.097 1
1 215 . 10 1 1 A 26 26 ASN CA C 26 53.185 52.032 1.153 1
1 216 . 10 1 1 A 26 26 ASN CB C 26 38.696 37.812 0.884 1
1 217 . 10 1 1 A 26 26 ASN N N 26 118.042 118.278 -0.236 1
1 219 . 10 1 1 A 27 27 GLN H H 27 8.231 9.129 -0.898 1
1 220 . 10 1 1 A 27 27 GLN HA H 27 4.226 4.660 -0.434 1
1 227 . 10 1 1 A 27 27 GLN C C 27 175.212 174.277 0.935 1
1 228 . 10 1 1 A 27 27 GLN CA C 27 57.149 57.598 -0.449 1
1 229 . 10 1 1 A 27 27 GLN CB C 27 29.741 30.428 -0.687 1
1 231 . 10 1 1 A 27 27 GLN N N 27 119.679 125.932 -6.253 1
1 233 . 10 1 1 A 28 28 TYR H H 28 8.059 7.979 0.080 1
1 234 . 10 1 1 A 28 28 TYR HA H 28 5.109 5.252 -0.143 1
1 241 . 10 1 1 A 28 28 TYR C C 28 174.290 174.601 -0.311 1
1 242 . 10 1 1 A 28 28 TYR CA C 28 56.779 56.747 0.032 1
1 243 . 10 1 1 A 28 28 TYR CB C 28 41.333 42.437 -1.104 1
1 248 . 10 1 1 A 28 28 TYR N N 28 116.269 115.483 0.786 1
1 249 . 10 1 1 A 29 29 ALA H H 29 8.837 8.936 -0.099 1
1 250 . 10 1 1 A 29 29 ALA HA H 29 5.054 5.286 -0.232 1
1 254 . 10 1 1 A 29 29 ALA C C 29 175.795 175.671 0.124 1
1 255 . 10 1 1 A 29 29 ALA CA C 29 50.612 50.378 0.234 1
1 256 . 10 1 1 A 29 29 ALA CB C 29 23.046 21.496 1.550 1
1 257 . 10 1 1 A 29 29 ALA N N 29 123.222 123.161 0.061 1
1 258 . 10 1 1 A 30 30 THR H H 30 9.217 9.117 0.100 1
1 259 . 10 1 1 A 30 30 THR HA H 30 4.828 4.609 0.219 1
1 264 . 10 1 1 A 30 30 THR C C 30 173.659 174.237 -0.578 1
1 265 . 10 1 1 A 30 30 THR CA C 30 62.383 62.209 0.174 1
1 266 . 10 1 1 A 30 30 THR CB C 30 70.058 68.961 1.097 1
1 268 . 10 1 1 A 30 30 THR N N 30 119.265 118.398 0.867 1
1 269 . 10 1 1 A 31 31 CYS H H 31 8.927 8.982 -0.055 1
1 270 . 10 1 1 A 31 31 CYS HA H 31 3.606 3.774 -0.168 1
1 273 . 10 1 1 A 31 31 CYS C C 31 177.956 175.469 2.487 1
1 274 . 10 1 1 A 31 31 CYS CA C 31 59.743 59.602 0.141 1
1 275 . 10 1 1 A 31 31 CYS CB C 31 29.971 28.394 1.577 1
1 276 . 10 1 1 A 31 31 CYS N N 31 130.893 126.422 4.471 1
1 277 . 10 1 1 A 32 32 ARG H H 32 9.393 9.023 0.370 1
1 278 . 10 1 1 A 32 32 ARG HA H 32 4.043 4.284 -0.241 1
1 285 . 10 1 1 A 32 32 ARG C C 32 176.693 176.805 -0.112 1
1 286 . 10 1 1 A 32 32 ARG CA C 32 58.471 57.598 0.873 1
1 287 . 10 1 1 A 32 32 ARG CB C 32 30.553 30.079 0.474 1
1 290 . 10 1 1 A 32 32 ARG N N 32 130.594 127.761 2.833 1
1 291 . 10 1 1 A 33 33 LEU H H 33 9.135 7.473 1.662 1
1 292 . 10 1 1 A 33 33 LEU HA H 33 4.243 4.130 0.113 1
1 302 . 10 1 1 A 33 33 LEU C C 33 178.150 178.437 -0.287 1
1 303 . 10 1 1 A 33 33 LEU CA C 33 56.709 56.985 -0.276 1
1 304 . 10 1 1 A 33 33 LEU CB C 33 41.387 42.928 -1.541 1
1 308 . 10 1 1 A 33 33 LEU N N 33 121.037 117.714 3.323 1
1 309 . 10 1 1 A 34 34 CYS H H 34 8.186 8.037 0.149 1
1 310 . 10 1 1 A 34 34 CYS HA H 34 5.200 4.709 0.491 1
1 313 . 10 1 1 A 34 34 CYS C C 34 176.329 175.563 0.766 1
1 314 . 10 1 1 A 34 34 CYS CA C 34 58.365 59.547 -1.182 1
1 315 . 10 1 1 A 34 34 CYS CB C 34 32.799 30.057 2.742 1
1 316 . 10 1 1 A 34 34 CYS N N 34 115.308 113.166 2.142 1
1 317 . 10 1 1 A 35 35 GLY H H 35 8.027 8.230 -0.203 1
1 318 . 10 1 1 A 35 35 GLY HA2 H 35 3.808 3.961 -0.153 1
1 319 . 10 1 1 A 35 35 GLY HA3 H 35 4.196 3.981 0.215 1
1 320 . 10 1 1 A 35 35 GLY C C 35 173.683 174.017 -0.334 1
1 321 . 10 1 1 A 35 35 GLY CA C 35 46.313 45.483 0.830 1
1 322 . 10 1 1 A 35 35 GLY N N 35 113.546 110.464 3.082 1
1 323 . 10 1 1 A 36 36 ARG H H 36 8.272 7.254 1.018 1
1 324 . 10 1 1 A 36 36 ARG HA H 36 4.273 4.631 -0.358 1
1 331 . 10 1 1 A 36 36 ARG C C 36 175.625 176.267 -0.642 1
1 332 . 10 1 1 A 36 36 ARG CA C 36 56.774 54.817 1.957 1
1 333 . 10 1 1 A 36 36 ARG CB C 36 31.112 31.843 -0.731 1
1 336 . 10 1 1 A 36 36 ARG N N 36 121.138 119.549 1.589 1
1 337 . 10 1 1 A 37 37 GLN H H 37 8.509 8.596 -0.087 1
1 338 . 10 1 1 A 37 37 GLN HA H 37 4.888 5.051 -0.163 1
1 345 . 10 1 1 A 37 37 GLN C C 37 176.184 175.101 1.083 1
1 346 . 10 1 1 A 37 37 GLN CA C 37 55.475 55.831 -0.356 1
1 347 . 10 1 1 A 37 37 GLN CB C 37 29.426 29.675 -0.249 1
1 349 . 10 1 1 A 37 37 GLN N N 37 120.322 121.481 -1.159 1
1 351 . 10 1 1 A 38 38 VAL H H 38 9.281 9.148 0.133 1
1 352 . 10 1 1 A 38 38 VAL HA H 38 4.216 4.409 -0.193 1
1 360 . 10 1 1 A 38 38 VAL C C 38 174.848 175.228 -0.380 1
1 361 . 10 1 1 A 38 38 VAL CA C 38 61.243 60.777 0.466 1
1 362 . 10 1 1 A 38 38 VAL CB C 38 34.146 35.019 -0.873 1
1 365 . 10 1 1 A 38 38 VAL N N 38 125.546 124.603 0.943 1
1 366 . 10 1 1 A 39 39 SER H H 39 8.590 8.467 0.123 1
1 367 . 10 1 1 A 39 39 SER HA H 39 4.348 4.260 0.088 1
1 370 . 10 1 1 A 39 39 SER C C 39 174.800 175.314 -0.514 1
1 371 . 10 1 1 A 39 39 SER CA C 39 57.731 56.667 1.064 1
1 372 . 10 1 1 A 39 39 SER CB C 39 64.121 64.418 -0.297 1
1 373 . 10 1 1 A 39 39 SER N N 39 120.236 122.224 -1.988 1
1 374 . 10 1 1 A 40 40 ARG H H 40 8.684 8.901 -0.217 1
1 375 . 10 1 1 A 40 40 ARG HA H 40 4.189 4.024 0.165 1
1 382 . 10 1 1 A 40 40 ARG C C 40 176.062 177.093 -1.031 1
1 383 . 10 1 1 A 40 40 ARG CA C 40 56.674 57.411 -0.737 1
1 384 . 10 1 1 A 40 40 ARG CB C 40 31.302 30.942 0.360 1
1 387 . 10 1 1 A 40 40 ARG N N 40 123.390 123.108 0.282 1
1 388 . 10 1 1 A 41 41 GLY H H 41 7.970 7.835 0.135 1
1 389 . 10 1 1 A 41 41 GLY HA2 H 41 3.920 4.068 -0.148 1
1 390 . 10 1 1 A 41 41 GLY HA3 H 41 4.216 4.085 0.131 1
1 391 . 10 1 1 A 41 41 GLY C C 41 171.037 173.209 -2.172 1
1 392 . 10 1 1 A 41 41 GLY CA C 41 44.269 44.730 -0.461 1
1 393 . 10 1 1 A 41 41 GLY N N 41 107.997 105.763 2.234 1
1 394 . 10 1 1 A 42 42 PRO HA H 42 4.462 4.307 0.155 1
1 401 . 10 1 1 A 42 42 PRO C C 42 176.451 177.598 -1.147 1
1 402 . 10 1 1 A 42 42 PRO CA C 42 63.179 63.623 -0.444 1
1 403 . 10 1 1 A 42 42 PRO CB C 42 32.144 30.971 1.173 1
1 406 . 10 1 1 A 43 43 GLY H H 43 8.388 8.873 -0.485 1
1 407 . 10 1 1 A 43 43 GLY HA2 H 43 4.065 4.061 0.004 1
1 408 . 10 1 1 A 43 43 GLY HA3 H 43 3.808 4.067 -0.259 1
1 409 . 10 1 1 A 43 43 GLY CA C 43 45.278 45.638 -0.360 1
1 410 . 10 1 1 A 43 43 GLY N N 43 109.409 112.878 -3.469 1
1 411 . 10 1 1 A 44 44 VAL H H 44 7.913 7.825 0.088 1
1 412 . 10 1 1 A 44 44 VAL HA H 44 4.107 4.440 -0.333 1
1 420 . 10 1 1 A 44 44 VAL CA C 44 62.352 60.204 2.148 1
1 421 . 10 1 1 A 44 44 VAL CB C 44 32.777 33.886 -1.109 1
1 424 . 10 1 1 A 44 44 VAL N N 44 117.689 119.848 -2.159 1
1 425 . 10 1 1 A 45 45 ASN HA H 45 4.713 4.510 0.203 1
1 430 . 10 1 1 A 45 45 ASN CA C 45 53.201 54.015 -0.814 1
1 431 . 10 1 1 A 45 45 ASN CB C 45 38.671 36.334 2.337 1
1 433 . 10 1 1 A 46 46 VAL H H 46 7.994 8.070 -0.076 1
1 434 . 10 1 1 A 46 46 VAL HA H 46 4.148 4.213 -0.065 1
1 439 . 10 1 1 A 46 46 VAL C C 46 177.834 177.320 0.514 1
1 440 . 10 1 1 A 46 46 VAL CA C 46 62.726 63.554 -0.828 1
1 441 . 10 1 1 A 46 46 VAL CB C 46 32.476 34.319 -1.843 1
1 443 . 10 1 1 A 46 46 VAL N N 46 118.432 117.058 1.374 1
1 444 . 10 1 1 A 47 47 GLY HA2 H 47 3.702 4.059 -0.357 1
1 445 . 10 1 1 A 47 47 GLY HA3 H 47 4.104 4.060 0.044 1
1 446 . 10 1 1 A 47 47 GLY C C 47 173.950 173.610 0.340 1
1 447 . 10 1 1 A 47 47 GLY CA C 47 45.202 45.904 -0.702 1
1 448 . 10 1 1 A 48 48 THR H H 48 8.238 8.010 0.228 1
1 449 . 10 1 1 A 48 48 THR HA H 48 4.066 4.456 -0.390 1
1 454 . 10 1 1 A 48 48 THR C C 48 175.919 173.888 2.031 1
1 455 . 10 1 1 A 48 48 THR CA C 48 67.178 61.086 6.092 1
1 456 . 10 1 1 A 48 48 THR CB C 48 68.681 69.436 -0.755 1
1 458 . 10 1 1 A 48 48 THR N N 48 118.267 112.207 6.060 1
1 459 . 10 1 1 A 49 49 THR HA H 49 3.981 4.073 -0.092 1
1 464 . 10 1 1 A 49 49 THR CA C 49 62.689 64.162 -1.473 1
1 465 . 10 1 1 A 49 49 THR CB C 49 69.410 69.450 -0.040 1
1 467 . 10 1 1 A 50 50 ALA HA H 50 4.091 3.913 0.178 1
1 471 . 10 1 1 A 50 50 ALA C C 50 180.456 179.572 0.884 1
1 472 . 10 1 1 A 50 50 ALA CA C 50 55.053 55.235 -0.182 1
1 473 . 10 1 1 A 50 50 ALA CB C 50 18.859 18.256 0.603 1
1 474 . 10 1 1 A 51 51 LEU H H 51 7.042 7.613 -0.571 1
1 475 . 10 1 1 A 51 51 LEU HA H 51 3.446 3.486 -0.040 1
1 485 . 10 1 1 A 51 51 LEU C C 51 179.170 179.192 -0.022 1
1 486 . 10 1 1 A 51 51 LEU CA C 51 57.395 57.387 0.008 1
1 487 . 10 1 1 A 51 51 LEU CB C 51 39.050 40.999 -1.949 1
1 491 . 10 1 1 A 51 51 LEU N N 51 117.051 118.234 -1.183 1
1 492 . 10 1 1 A 52 52 TRP H H 52 7.992 8.349 -0.357 1
1 493 . 10 1 1 A 52 52 TRP HA H 52 4.412 4.340 0.072 1
1 502 . 10 1 1 A 52 52 TRP C C 52 178.636 179.105 -0.469 1
1 503 . 10 1 1 A 52 52 TRP CA C 52 60.762 59.917 0.845 1
1 504 . 10 1 1 A 52 52 TRP CB C 52 29.830 29.179 0.651 1
1 510 . 10 1 1 A 52 52 TRP N N 52 118.438 118.827 -0.389 1
1 512 . 10 1 1 A 53 53 LYS H H 53 8.239 7.880 0.359 1
1 513 . 10 1 1 A 53 53 LYS HA H 53 4.077 4.085 -0.008 1
1 522 . 10 1 1 A 53 53 LYS C C 53 179.777 178.792 0.985 1
1 523 . 10 1 1 A 53 53 LYS CA C 53 59.864 59.267 0.597 1
1 524 . 10 1 1 A 53 53 LYS CB C 53 32.077 31.893 0.184 1
1 528 . 10 1 1 A 53 53 LYS N N 53 118.342 118.882 -0.540 1
1 529 . 10 1 1 A 54 54 HIS H H 54 7.592 8.389 -0.797 1
1 530 . 10 1 1 A 54 54 HIS HA H 54 4.351 4.315 0.036 1
1 535 . 10 1 1 A 54 54 HIS C C 54 176.499 177.138 -0.639 1
1 536 . 10 1 1 A 54 54 HIS CA C 54 60.409 59.236 1.173 1
1 537 . 10 1 1 A 54 54 HIS CB C 54 28.701 30.222 -1.521 1
1 540 . 10 1 1 A 54 54 HIS N N 54 117.948 121.521 -3.573 1
1 541 . 10 1 1 A 55 55 LEU H H 55 8.223 8.484 -0.261 1
1 542 . 10 1 1 A 55 55 LEU HA H 55 3.829 3.996 -0.167 1
1 552 . 10 1 1 A 55 55 LEU C C 55 178.587 179.453 -0.866 1
1 553 . 10 1 1 A 55 55 LEU CA C 55 58.492 58.011 0.481 1
1 554 . 10 1 1 A 55 55 LEU CB C 55 42.293 41.296 0.997 1
1 558 . 10 1 1 A 55 55 LEU N N 55 118.224 119.751 -1.527 1
1 559 . 10 1 1 A 56 56 LYS H H 56 8.795 8.461 0.334 1
1 560 . 10 1 1 A 56 56 LYS HA H 56 3.823 4.259 -0.436 1
1 569 . 10 1 1 A 56 56 LYS C C 56 177.664 177.780 -0.116 1
1 570 . 10 1 1 A 56 56 LYS CA C 56 58.999 58.422 0.577 1
1 571 . 10 1 1 A 56 56 LYS CB C 56 32.395 32.337 0.058 1
1 575 . 10 1 1 A 56 56 LYS N N 56 115.460 118.020 -2.560 1
1 576 . 10 1 1 A 57 57 SER H H 57 7.600 7.998 -0.398 1
1 577 . 10 1 1 A 57 57 SER HA H 57 4.353 4.346 0.007 1
1 580 . 10 1 1 A 57 57 SER C C 57 176.451 175.872 0.579 1
1 581 . 10 1 1 A 57 57 SER CA C 57 60.480 61.222 -0.742 1
1 582 . 10 1 1 A 57 57 SER CB C 57 63.879 63.695 0.184 1
1 583 . 10 1 1 A 57 57 SER N N 57 110.773 115.644 -4.871 1
1 584 . 10 1 1 A 58 58 MET H H 58 7.685 7.638 0.047 1
1 585 . 10 1 1 A 58 58 MET HA H 58 4.555 4.515 0.040 1
1 593 . 10 1 1 A 58 58 MET C C 58 176.645 177.277 -0.632 1
1 594 . 10 1 1 A 58 58 MET CA C 58 55.158 55.547 -0.389 1
1 595 . 10 1 1 A 58 58 MET CB C 58 32.427 33.689 -1.262 1
1 598 . 10 1 1 A 58 58 MET N N 58 115.874 116.007 -0.133 1
1 599 . 10 1 1 A 59 59 HIS H H 59 7.685 7.846 -0.161 1
1 600 . 10 1 1 A 59 59 HIS HA H 59 5.357 4.711 0.646 1
1 605 . 10 1 1 A 59 59 HIS C C 59 175.140 175.570 -0.430 1
1 606 . 10 1 1 A 59 59 HIS CA C 59 53.114 55.660 -2.546 1
1 607 . 10 1 1 A 59 59 HIS CB C 59 29.080 29.219 -0.139 1
1 610 . 10 1 1 A 59 59 HIS N N 59 117.346 116.459 0.887 1
1 611 . 10 1 1 A 60 60 ARG H H 60 7.995 8.010 -0.015 1
1 612 . 10 1 1 A 60 60 ARG HA H 60 3.771 3.815 -0.044 1
1 619 . 10 1 1 A 60 60 ARG C C 60 178.684 178.585 0.099 1
1 620 . 10 1 1 A 60 60 ARG CA C 60 60.646 59.754 0.892 1
1 621 . 10 1 1 A 60 60 ARG CB C 60 29.959 30.044 -0.085 1
1 624 . 10 1 1 A 60 60 ARG N N 60 120.640 122.017 -1.377 1
1 625 . 10 1 1 A 61 61 GLU H H 61 8.929 8.153 0.776 1
1 626 . 10 1 1 A 61 61 GLU HA H 61 4.046 4.160 -0.114 1
1 631 . 10 1 1 A 61 61 GLU C C 61 179.024 179.823 -0.799 1
1 632 . 10 1 1 A 61 61 GLU CA C 61 59.775 58.894 0.881 1
1 633 . 10 1 1 A 61 61 GLU CB C 61 28.926 29.416 -0.490 1
1 635 . 10 1 1 A 61 61 GLU N N 61 117.239 118.859 -1.620 1
1 636 . 10 1 1 A 62 62 GLU H H 62 8.182 8.143 0.039 1
1 637 . 10 1 1 A 62 62 GLU HA H 62 4.078 4.075 0.003 1
1 642 . 10 1 1 A 62 62 GLU C C 62 179.242 178.975 0.267 1
1 643 . 10 1 1 A 62 62 GLU CA C 62 59.317 59.224 0.093 1
1 644 . 10 1 1 A 62 62 GLU CB C 62 28.864 29.331 -0.467 1
1 646 . 10 1 1 A 62 62 GLU N N 62 120.004 120.169 -0.165 1
1 647 . 10 1 1 A 63 63 LEU H H 63 7.849 8.143 -0.294 1
1 648 . 10 1 1 A 63 63 LEU HA H 63 4.158 4.089 0.069 1
1 658 . 10 1 1 A 63 63 LEU C C 63 179.679 178.669 1.010 1
1 659 . 10 1 1 A 63 63 LEU CA C 63 57.449 58.239 -0.790 1
1 660 . 10 1 1 A 63 63 LEU CB C 63 41.552 41.756 -0.204 1
1 664 . 10 1 1 A 63 63 LEU N N 63 119.191 120.665 -1.474 1
1 665 . 10 1 1 A 64 64 GLU H H 64 8.097 8.317 -0.220 1
1 666 . 10 1 1 A 64 64 GLU HA H 64 4.113 3.946 0.167 1
1 671 . 10 1 1 A 64 64 GLU C C 64 178.951 178.924 0.027 1
1 672 . 10 1 1 A 64 64 GLU CA C 64 58.480 59.873 -1.393 1
1 673 . 10 1 1 A 64 64 GLU CB C 64 29.548 29.190 0.358 1
1 675 . 10 1 1 A 64 64 GLU N N 64 118.834 117.457 1.377 1
1 676 . 10 1 1 A 65 65 LYS H H 65 7.854 8.261 -0.407 1
1 677 . 10 1 1 A 65 65 LYS HA H 65 4.197 4.111 0.086 1
1 685 . 10 1 1 A 65 65 LYS C C 65 177.713 178.326 -0.613 1
1 686 . 10 1 1 A 65 65 LYS CA C 65 58.154 59.032 -0.878 1
1 687 . 10 1 1 A 65 65 LYS CB C 65 32.614 31.986 0.628 1
1 691 . 10 1 1 A 65 65 LYS N N 65 119.350 118.657 0.693 1
1 692 . 10 1 1 A 66 66 SER H H 66 7.816 7.566 0.250 1
1 693 . 10 1 1 A 66 66 SER HA H 66 4.457 4.463 -0.006 1
1 696 . 10 1 1 A 66 66 SER C C 66 174.751 174.534 0.217 1
1 697 . 10 1 1 A 66 66 SER CA C 66 58.864 59.757 -0.893 1
1 698 . 10 1 1 A 66 66 SER CB C 66 64.180 64.407 -0.227 1
1 699 . 10 1 1 A 66 66 SER N N 66 113.693 114.317 -0.624 1
1 700 . 10 1 1 A 67 67 GLY H H 67 7.959 8.211 -0.252 1
1 701 . 10 1 1 A 67 67 GLY HA2 H 67 4.036 3.923 0.113 1
1 702 . 10 1 1 A 67 67 GLY HA3 H 67 3.924 3.996 -0.072 1
1 703 . 10 1 1 A 67 67 GLY C C 67 174.775 174.746 0.029 1
1 704 . 10 1 1 A 67 67 GLY CA C 67 45.678 44.942 0.736 1
1 705 . 10 1 1 A 67 67 GLY N N 67 108.980 108.415 0.565 1
1 706 . 10 1 1 A 68 68 HIS H H 68 8.148 7.909 0.239 1
1 707 . 10 1 1 A 68 68 HIS HA H 68 4.861 4.955 -0.094 1
1 712 . 10 1 1 A 68 68 HIS C C 68 176.159 176.322 -0.163 1
1 713 . 10 1 1 A 68 68 HIS CA C 68 56.004 55.657 0.347 1
1 714 . 10 1 1 A 68 68 HIS CB C 68 31.585 29.872 1.713 1
1 717 . 10 1 1 A 68 68 HIS N N 68 119.127 119.021 0.106 1
1 718 . 10 1 1 A 69 69 GLY H H 69 8.610 8.584 0.026 1
1 719 . 10 1 1 A 69 69 GLY HA2 H 69 3.903 3.693 0.210 1
1 720 . 10 1 1 A 69 69 GLY HA3 H 69 3.903 3.723 0.180 1
1 721 . 10 1 1 A 69 69 GLY C C 69 174.290 174.422 -0.132 1
1 722 . 10 1 1 A 69 69 GLY CA C 69 45.890 47.002 -1.112 1
1 723 . 10 1 1 A 69 69 GLY N N 69 109.663 108.767 0.896 1
1 724 . 10 1 1 A 70 70 GLN H H 70 8.325 8.208 0.117 1
1 725 . 10 1 1 A 70 70 GLN HA H 70 4.396 4.353 0.043 1
1 732 . 10 1 1 A 70 70 GLN C C 70 176.208 175.785 0.423 1
1 733 . 10 1 1 A 70 70 GLN CA C 70 55.616 55.347 0.269 1
1 734 . 10 1 1 A 70 70 GLN CB C 70 29.441 27.916 1.525 1
1 736 . 10 1 1 A 70 70 GLN N N 70 119.031 118.196 0.835 1
1 738 . 10 1 1 A 71 71 SER HA H 71 4.466 4.316 0.150 1
1 741 . 10 1 1 A 71 71 SER C C 71 174.096 174.175 -0.079 1
1 742 . 10 1 1 A 71 71 SER CA C 71 58.506 59.964 -1.458 1
1 743 . 10 1 1 A 71 71 SER CB C 71 64.126 63.389 0.737 1
1 744 . 10 1 1 A 72 72 GLY H H 72 8.136 7.320 0.816 1
1 745 . 10 1 1 A 72 72 GLY HA2 H 72 3.776 3.909 -0.133 1
1 746 . 10 1 1 A 72 72 GLY HA3 H 72 3.703 3.965 -0.262 1
1 747 . 10 1 1 A 72 72 GLY C C 72 171.644 171.023 0.621 1
1 748 . 10 1 1 A 72 72 GLY CA C 72 44.304 44.819 -0.515 1
1 749 . 10 1 1 A 72 72 GLY N N 72 110.082 106.407 3.675 1
1 750 . 10 1 1 A 73 73 PRO HA H 73 4.408 4.597 -0.189 1
1 757 . 10 1 1 A 73 73 PRO C C 73 175.067 175.435 -0.368 1
1 758 . 10 1 1 A 73 73 PRO CA C 73 63.151 62.664 0.487 1
1 759 . 10 1 1 A 73 73 PRO CB C 73 32.225 32.489 -0.264 1
1 763 . 10 1 1 A 74 74 SER CA C 74 58.647 57.896 0.751 1
1 1 . 11 1 1 A 7 7 GLY HA2 H 7 4.246 4.247 -0.001 1
1 2 . 11 1 1 A 7 7 GLY HA3 H 7 4.111 4.257 -0.146 1
1 3 . 11 1 1 A 7 7 GLY CA C 7 46.145 46.105 0.040 1
1 4 . 11 1 1 A 8 8 SER HA H 8 4.472 4.428 0.044 1
1 7 . 11 1 1 A 8 8 SER C C 8 175.844 174.200 1.644 1
1 8 . 11 1 1 A 8 8 SER CA C 8 60.307 59.402 0.905 1
1 9 . 11 1 1 A 8 8 SER CB C 8 63.621 62.120 1.501 1
1 10 . 11 1 1 A 9 9 GLU H H 9 9.766 8.479 1.287 1
1 11 . 11 1 1 A 9 9 GLU HA H 9 4.354 4.322 0.032 1
1 16 . 11 1 1 A 9 9 GLU C C 9 177.495 178.777 -1.282 1
1 17 . 11 1 1 A 9 9 GLU CA C 9 58.823 58.874 -0.051 1
1 18 . 11 1 1 A 9 9 GLU CB C 9 29.080 29.749 -0.669 1
1 20 . 11 1 1 A 9 9 GLU N N 9 124.626 119.721 4.905 1
1 21 . 11 1 1 A 10 10 ALA H H 10 7.788 8.185 -0.397 1
1 22 . 11 1 1 A 10 10 ALA HA H 10 3.387 3.705 -0.318 1
1 26 . 11 1 1 A 10 10 ALA C C 10 179.145 179.414 -0.269 1
1 27 . 11 1 1 A 10 10 ALA CA C 10 54.588 54.229 0.359 1
1 28 . 11 1 1 A 10 10 ALA CB C 10 17.451 17.084 0.367 1
1 29 . 11 1 1 A 10 10 ALA N N 10 120.412 120.880 -0.468 1
1 30 . 11 1 1 A 11 11 TRP H H 11 7.481 7.947 -0.466 1
1 31 . 11 1 1 A 11 11 TRP HA H 11 4.440 4.519 -0.079 1
1 40 . 11 1 1 A 11 11 TRP C C 11 177.373 179.166 -1.793 1
1 41 . 11 1 1 A 11 11 TRP CA C 11 59.460 59.855 -0.395 1
1 42 . 11 1 1 A 11 11 TRP CB C 11 29.033 29.179 -0.146 1
1 48 . 11 1 1 A 11 11 TRP N N 11 113.286 117.861 -4.575 1
1 50 . 11 1 1 A 12 12 GLU H H 12 7.771 8.765 -0.994 1
1 51 . 11 1 1 A 12 12 GLU HA H 12 4.100 4.100 0.000 1
1 56 . 11 1 1 A 12 12 GLU C C 12 177.543 176.940 0.603 1
1 57 . 11 1 1 A 12 12 GLU CA C 12 58.195 58.833 -0.638 1
1 58 . 11 1 1 A 12 12 GLU CB C 12 29.265 28.738 0.527 1
1 60 . 11 1 1 A 12 12 GLU N N 12 117.805 117.594 0.211 1
1 61 . 11 1 1 A 13 13 TYR H H 13 7.748 8.233 -0.485 1
1 62 . 11 1 1 A 13 13 TYR HA H 13 4.181 4.541 -0.360 1
1 69 . 11 1 1 A 13 13 TYR C C 13 172.809 174.806 -1.997 1
1 70 . 11 1 1 A 13 13 TYR CA C 13 58.524 57.672 0.852 1
1 71 . 11 1 1 A 13 13 TYR CB C 13 40.503 38.235 2.268 1
1 76 . 11 1 1 A 13 13 TYR N N 13 114.665 118.810 -4.145 1
1 77 . 11 1 1 A 14 14 PHE H H 14 7.590 8.143 -0.553 1
1 78 . 11 1 1 A 14 14 PHE HA H 14 5.336 5.558 -0.222 1
1 86 . 11 1 1 A 14 14 PHE C C 14 174.508 174.750 -0.242 1
1 87 . 11 1 1 A 14 14 PHE CA C 14 56.895 56.444 0.451 1
1 88 . 11 1 1 A 14 14 PHE CB C 14 45.117 43.346 1.771 1
1 94 . 11 1 1 A 14 14 PHE N N 14 115.479 118.459 -2.980 1
1 95 . 11 1 1 A 15 15 HIS H H 15 9.046 9.243 -0.197 1
1 96 . 11 1 1 A 15 15 HIS HA H 15 5.111 5.637 -0.526 1
1 101 . 11 1 1 A 15 15 HIS C C 15 175.455 173.731 1.724 1
1 102 . 11 1 1 A 15 15 HIS CA C 15 54.841 53.908 0.933 1
1 103 . 11 1 1 A 15 15 HIS CB C 15 33.210 32.905 0.305 1
1 106 . 11 1 1 A 15 15 HIS N N 15 118.065 117.619 0.446 1
1 107 . 11 1 1 A 16 16 LEU H H 16 8.899 8.998 -0.099 1
1 108 . 11 1 1 A 16 16 LEU HA H 16 4.624 4.305 0.319 1
1 118 . 11 1 1 A 16 16 LEU C C 16 176.256 177.277 -1.021 1
1 119 . 11 1 1 A 16 16 LEU CA C 16 54.947 55.242 -0.295 1
1 120 . 11 1 1 A 16 16 LEU CB C 16 42.540 42.270 0.270 1
1 124 . 11 1 1 A 16 16 LEU N N 16 125.895 125.285 0.610 1
1 125 . 11 1 1 A 17 17 ALA H H 17 8.412 8.163 0.249 1
1 126 . 11 1 1 A 17 17 ALA HA H 17 4.574 4.937 -0.363 1
1 130 . 11 1 1 A 17 17 ALA C C 17 175.188 175.866 -0.678 1
1 131 . 11 1 1 A 17 17 ALA CA C 17 50.400 50.356 0.044 1
1 132 . 11 1 1 A 17 17 ALA CB C 17 18.205 19.661 -1.456 1
1 133 . 11 1 1 A 17 17 ALA N N 17 128.151 126.772 1.379 1
1 134 . 11 1 1 A 18 18 PRO HA H 18 4.373 4.546 -0.173 1
1 141 . 11 1 1 A 18 18 PRO C C 18 176.621 175.894 0.727 1
1 142 . 11 1 1 A 18 18 PRO CA C 18 62.911 62.509 0.402 1
1 143 . 11 1 1 A 18 18 PRO CB C 18 32.105 32.432 -0.327 1
1 146 . 11 1 1 A 19 19 ALA H H 19 8.434 8.460 -0.026 1
1 147 . 11 1 1 A 19 19 ALA HA H 19 4.300 4.445 -0.145 1
1 151 . 11 1 1 A 19 19 ALA C C 19 177.834 176.446 1.388 1
1 152 . 11 1 1 A 19 19 ALA CA C 19 52.515 51.267 1.248 1
1 153 . 11 1 1 A 19 19 ALA CB C 19 19.359 18.669 0.690 1
1 154 . 11 1 1 A 19 19 ALA N N 19 125.267 124.101 1.166 1
1 155 . 11 1 1 A 20 20 ARG H H 20 8.450 8.716 -0.266 1
1 156 . 11 1 1 A 20 20 ARG HA H 20 4.366 4.551 -0.185 1
1 163 . 11 1 1 A 20 20 ARG C C 20 175.795 175.621 0.174 1
1 164 . 11 1 1 A 20 20 ARG CA C 20 55.405 55.034 0.371 1
1 165 . 11 1 1 A 20 20 ARG CB C 20 31.685 28.386 3.299 1
1 168 . 11 1 1 A 20 20 ARG N N 20 121.353 124.205 -2.852 1
1 169 . 11 1 1 A 21 21 ALA HA H 21 4.229 3.968 0.261 1
1 173 . 11 1 1 A 21 21 ALA CA C 21 53.263 53.053 0.210 1
1 174 . 11 1 1 A 21 21 ALA CB C 21 18.577 17.808 0.769 1
1 175 . 11 1 1 A 22 22 GLY C C 22 175.407 173.180 2.227 1
1 176 . 11 1 1 A 23 23 HIS HA H 23 4.768 4.417 0.351 1
1 181 . 11 1 1 A 23 23 HIS C C 23 178.611 175.534 3.077 1
1 182 . 11 1 1 A 23 23 HIS CA C 23 55.004 57.090 -2.086 1
1 183 . 11 1 1 A 23 23 HIS CB C 23 30.750 29.758 0.992 1
1 186 . 11 1 1 A 24 24 HIS HA H 24 4.673 4.247 0.426 1
1 191 . 11 1 1 A 24 24 HIS C C 24 179.801 173.869 5.932 1
1 192 . 11 1 1 A 24 24 HIS CA C 24 55.610 55.169 0.441 1
1 193 . 11 1 1 A 24 24 HIS CB C 24 31.802 30.561 1.241 1
1 196 . 11 1 1 A 25 25 PRO HA H 25 4.429 4.313 0.116 1
1 203 . 11 1 1 A 25 25 PRO C C 25 176.888 176.661 0.227 1
1 204 . 11 1 1 A 25 25 PRO CA C 25 63.902 62.644 1.258 1
1 205 . 11 1 1 A 25 25 PRO CB C 25 32.124 32.577 -0.453 1
1 208 . 11 1 1 A 26 26 ASN H H 26 9.047 8.900 0.147 1
1 209 . 11 1 1 A 26 26 ASN HA H 26 4.788 4.391 0.397 1
1 214 . 11 1 1 A 26 26 ASN C C 26 175.140 175.189 -0.049 1
1 215 . 11 1 1 A 26 26 ASN CA C 26 53.185 54.262 -1.077 1
1 216 . 11 1 1 A 26 26 ASN CB C 26 38.696 37.429 1.267 1
1 217 . 11 1 1 A 26 26 ASN N N 26 118.042 114.722 3.320 1
1 219 . 11 1 1 A 27 27 GLN H H 27 8.231 8.055 0.176 1
1 220 . 11 1 1 A 27 27 GLN HA H 27 4.226 4.494 -0.268 1
1 227 . 11 1 1 A 27 27 GLN C C 27 175.212 174.811 0.401 1
1 228 . 11 1 1 A 27 27 GLN CA C 27 57.149 57.687 -0.538 1
1 229 . 11 1 1 A 27 27 GLN CB C 27 29.741 30.168 -0.427 1
1 231 . 11 1 1 A 27 27 GLN N N 27 119.679 117.375 2.304 1
1 233 . 11 1 1 A 28 28 TYR H H 28 8.059 7.952 0.107 1
1 234 . 11 1 1 A 28 28 TYR HA H 28 5.109 5.257 -0.148 1
1 241 . 11 1 1 A 28 28 TYR C C 28 174.290 174.666 -0.376 1
1 242 . 11 1 1 A 28 28 TYR CA C 28 56.779 57.096 -0.317 1
1 243 . 11 1 1 A 28 28 TYR CB C 28 41.333 41.559 -0.226 1
1 248 . 11 1 1 A 28 28 TYR N N 28 116.269 115.647 0.622 1
1 249 . 11 1 1 A 29 29 ALA H H 29 8.837 8.702 0.135 1
1 250 . 11 1 1 A 29 29 ALA HA H 29 5.054 5.491 -0.437 1
1 254 . 11 1 1 A 29 29 ALA C C 29 175.795 175.655 0.140 1
1 255 . 11 1 1 A 29 29 ALA CA C 29 50.612 49.923 0.689 1
1 256 . 11 1 1 A 29 29 ALA CB C 29 23.046 22.326 0.720 1
1 257 . 11 1 1 A 29 29 ALA N N 29 123.222 123.227 -0.005 1
1 258 . 11 1 1 A 30 30 THR H H 30 9.217 8.989 0.228 1
1 259 . 11 1 1 A 30 30 THR HA H 30 4.828 4.992 -0.164 1
1 264 . 11 1 1 A 30 30 THR C C 30 173.659 173.724 -0.065 1
1 265 . 11 1 1 A 30 30 THR CA C 30 62.383 61.875 0.508 1
1 266 . 11 1 1 A 30 30 THR CB C 30 70.058 69.548 0.510 1
1 268 . 11 1 1 A 30 30 THR N N 30 119.265 117.387 1.878 1
1 269 . 11 1 1 A 31 31 CYS H H 31 8.927 8.988 -0.061 1
1 270 . 11 1 1 A 31 31 CYS HA H 31 3.606 3.969 -0.363 1
1 273 . 11 1 1 A 31 31 CYS C C 31 177.956 175.662 2.294 1
1 274 . 11 1 1 A 31 31 CYS CA C 31 59.743 59.690 0.053 1
1 275 . 11 1 1 A 31 31 CYS CB C 31 29.971 28.599 1.372 1
1 276 . 11 1 1 A 31 31 CYS N N 31 130.893 126.351 4.542 1
1 277 . 11 1 1 A 32 32 ARG H H 32 9.393 9.114 0.279 1
1 278 . 11 1 1 A 32 32 ARG HA H 32 4.043 4.259 -0.216 1
1 285 . 11 1 1 A 32 32 ARG C C 32 176.693 177.059 -0.366 1
1 286 . 11 1 1 A 32 32 ARG CA C 32 58.471 57.856 0.615 1
1 287 . 11 1 1 A 32 32 ARG CB C 32 30.553 30.090 0.463 1
1 290 . 11 1 1 A 32 32 ARG N N 32 130.594 127.598 2.996 1
1 291 . 11 1 1 A 33 33 LEU H H 33 9.135 7.539 1.596 1
1 292 . 11 1 1 A 33 33 LEU HA H 33 4.243 4.095 0.148 1
1 302 . 11 1 1 A 33 33 LEU C C 33 178.150 178.441 -0.291 1
1 303 . 11 1 1 A 33 33 LEU CA C 33 56.709 57.248 -0.539 1
1 304 . 11 1 1 A 33 33 LEU CB C 33 41.387 42.446 -1.059 1
1 308 . 11 1 1 A 33 33 LEU N N 33 121.037 118.049 2.988 1
1 309 . 11 1 1 A 34 34 CYS H H 34 8.186 8.019 0.167 1
1 310 . 11 1 1 A 34 34 CYS HA H 34 5.200 4.650 0.550 1
1 313 . 11 1 1 A 34 34 CYS C C 34 176.329 175.426 0.903 1
1 314 . 11 1 1 A 34 34 CYS CA C 34 58.365 59.591 -1.226 1
1 315 . 11 1 1 A 34 34 CYS CB C 34 32.799 29.698 3.101 1
1 316 . 11 1 1 A 34 34 CYS N N 34 115.308 113.470 1.838 1
1 317 . 11 1 1 A 35 35 GLY H H 35 8.027 8.189 -0.162 1
1 318 . 11 1 1 A 35 35 GLY HA2 H 35 3.808 4.021 -0.213 1
1 319 . 11 1 1 A 35 35 GLY HA3 H 35 4.196 4.034 0.162 1
1 320 . 11 1 1 A 35 35 GLY C C 35 173.683 174.328 -0.645 1
1 321 . 11 1 1 A 35 35 GLY CA C 35 46.313 45.357 0.956 1
1 322 . 11 1 1 A 35 35 GLY N N 35 113.546 110.527 3.019 1
1 323 . 11 1 1 A 36 36 ARG H H 36 8.272 7.298 0.974 1
1 324 . 11 1 1 A 36 36 ARG HA H 36 4.273 4.624 -0.351 1
1 331 . 11 1 1 A 36 36 ARG C C 36 175.625 175.614 0.011 1
1 332 . 11 1 1 A 36 36 ARG CA C 36 56.774 55.115 1.659 1
1 333 . 11 1 1 A 36 36 ARG CB C 36 31.112 32.175 -1.063 1
1 336 . 11 1 1 A 36 36 ARG N N 36 121.138 119.399 1.739 1
1 337 . 11 1 1 A 37 37 GLN H H 37 8.509 8.546 -0.037 1
1 338 . 11 1 1 A 37 37 GLN HA H 37 4.888 5.389 -0.501 1
1 345 . 11 1 1 A 37 37 GLN C C 37 176.184 175.084 1.100 1
1 346 . 11 1 1 A 37 37 GLN CA C 37 55.475 54.367 1.108 1
1 347 . 11 1 1 A 37 37 GLN CB C 37 29.426 30.742 -1.316 1
1 349 . 11 1 1 A 37 37 GLN N N 37 120.322 119.457 0.865 1
1 351 . 11 1 1 A 38 38 VAL H H 38 9.281 9.196 0.085 1
1 352 . 11 1 1 A 38 38 VAL HA H 38 4.216 4.349 -0.133 1
1 360 . 11 1 1 A 38 38 VAL C C 38 174.848 175.319 -0.471 1
1 361 . 11 1 1 A 38 38 VAL CA C 38 61.243 61.267 -0.024 1
1 362 . 11 1 1 A 38 38 VAL CB C 38 34.146 34.442 -0.296 1
1 365 . 11 1 1 A 38 38 VAL N N 38 125.546 124.525 1.021 1
1 366 . 11 1 1 A 39 39 SER H H 39 8.590 8.465 0.125 1
1 367 . 11 1 1 A 39 39 SER HA H 39 4.348 4.535 -0.187 1
1 370 . 11 1 1 A 39 39 SER C C 39 174.800 174.844 -0.044 1
1 371 . 11 1 1 A 39 39 SER CA C 39 57.731 56.583 1.148 1
1 372 . 11 1 1 A 39 39 SER CB C 39 64.121 64.644 -0.523 1
1 373 . 11 1 1 A 39 39 SER N N 39 120.236 121.695 -1.459 1
1 374 . 11 1 1 A 40 40 ARG H H 40 8.684 8.535 0.149 1
1 375 . 11 1 1 A 40 40 ARG HA H 40 4.189 4.478 -0.289 1
1 382 . 11 1 1 A 40 40 ARG C C 40 176.062 175.849 0.213 1
1 383 . 11 1 1 A 40 40 ARG CA C 40 56.674 55.860 0.814 1
1 384 . 11 1 1 A 40 40 ARG CB C 40 31.302 31.660 -0.358 1
1 387 . 11 1 1 A 40 40 ARG N N 40 123.390 119.605 3.785 1
1 388 . 11 1 1 A 41 41 GLY H H 41 7.970 7.758 0.212 1
1 389 . 11 1 1 A 41 41 GLY HA2 H 41 3.920 4.083 -0.163 1
1 390 . 11 1 1 A 41 41 GLY HA3 H 41 4.216 4.098 0.118 1
1 391 . 11 1 1 A 41 41 GLY C C 41 171.037 173.474 -2.437 1
1 392 . 11 1 1 A 41 41 GLY CA C 41 44.269 44.532 -0.263 1
1 393 . 11 1 1 A 41 41 GLY N N 41 107.997 107.721 0.276 1
1 394 . 11 1 1 A 42 42 PRO HA H 42 4.462 4.501 -0.039 1
1 401 . 11 1 1 A 42 42 PRO C C 42 176.451 177.434 -0.983 1
1 402 . 11 1 1 A 42 42 PRO CA C 42 63.179 64.069 -0.890 1
1 403 . 11 1 1 A 42 42 PRO CB C 42 32.144 31.797 0.347 1
1 406 . 11 1 1 A 43 43 GLY H H 43 8.388 7.923 0.465 1
1 407 . 11 1 1 A 43 43 GLY HA2 H 43 4.065 4.063 0.002 1
1 408 . 11 1 1 A 43 43 GLY HA3 H 43 3.808 4.070 -0.262 1
1 409 . 11 1 1 A 43 43 GLY CA C 43 45.278 46.327 -1.049 1
1 410 . 11 1 1 A 43 43 GLY N N 43 109.409 105.920 3.489 1
1 411 . 11 1 1 A 44 44 VAL H H 44 7.913 8.112 -0.199 1
1 412 . 11 1 1 A 44 44 VAL HA H 44 4.107 3.752 0.355 1
1 420 . 11 1 1 A 44 44 VAL CA C 44 62.352 63.223 -0.871 1
1 421 . 11 1 1 A 44 44 VAL CB C 44 32.777 30.485 2.292 1
1 424 . 11 1 1 A 44 44 VAL N N 44 117.689 119.956 -2.267 1
1 425 . 11 1 1 A 45 45 ASN HA H 45 4.713 4.757 -0.044 1
1 430 . 11 1 1 A 45 45 ASN CA C 45 53.201 52.312 0.889 1
1 431 . 11 1 1 A 45 45 ASN CB C 45 38.671 37.333 1.338 1
1 433 . 11 1 1 A 46 46 VAL H H 46 7.994 8.521 -0.527 1
1 434 . 11 1 1 A 46 46 VAL HA H 46 4.148 4.447 -0.299 1
1 439 . 11 1 1 A 46 46 VAL C C 46 177.834 176.043 1.791 1
1 440 . 11 1 1 A 46 46 VAL CA C 46 62.726 62.187 0.539 1
1 441 . 11 1 1 A 46 46 VAL CB C 46 32.476 33.667 -1.191 1
1 443 . 11 1 1 A 46 46 VAL N N 46 118.432 120.327 -1.895 1
1 444 . 11 1 1 A 47 47 GLY HA2 H 47 3.702 4.038 -0.336 1
1 445 . 11 1 1 A 47 47 GLY HA3 H 47 4.104 4.054 0.050 1
1 446 . 11 1 1 A 47 47 GLY C C 47 173.950 175.046 -1.096 1
1 447 . 11 1 1 A 47 47 GLY CA C 47 45.202 45.580 -0.378 1
1 448 . 11 1 1 A 48 48 THR H H 48 8.238 7.910 0.328 1
1 449 . 11 1 1 A 48 48 THR HA H 48 4.066 4.223 -0.157 1
1 454 . 11 1 1 A 48 48 THR C C 48 175.919 174.007 1.912 1
1 455 . 11 1 1 A 48 48 THR CA C 48 67.178 61.761 5.417 1
1 456 . 11 1 1 A 48 48 THR CB C 48 68.681 67.003 1.678 1
1 458 . 11 1 1 A 48 48 THR N N 48 118.267 115.751 2.516 1
1 459 . 11 1 1 A 49 49 THR HA H 49 3.981 4.128 -0.147 1
1 464 . 11 1 1 A 49 49 THR CA C 49 62.689 64.462 -1.773 1
1 465 . 11 1 1 A 49 49 THR CB C 49 69.410 69.545 -0.135 1
1 467 . 11 1 1 A 50 50 ALA HA H 50 4.091 3.919 0.172 1
1 471 . 11 1 1 A 50 50 ALA C C 50 180.456 179.494 0.962 1
1 472 . 11 1 1 A 50 50 ALA CA C 50 55.053 55.370 -0.317 1
1 473 . 11 1 1 A 50 50 ALA CB C 50 18.859 18.306 0.553 1
1 474 . 11 1 1 A 51 51 LEU H H 51 7.042 7.634 -0.592 1
1 475 . 11 1 1 A 51 51 LEU HA H 51 3.446 3.263 0.183 1
1 485 . 11 1 1 A 51 51 LEU C C 51 179.170 179.000 0.170 1
1 486 . 11 1 1 A 51 51 LEU CA C 51 57.395 57.475 -0.080 1
1 487 . 11 1 1 A 51 51 LEU CB C 51 39.050 41.218 -2.168 1
1 491 . 11 1 1 A 51 51 LEU N N 51 117.051 117.791 -0.740 1
1 492 . 11 1 1 A 52 52 TRP H H 52 7.992 8.105 -0.113 1
1 493 . 11 1 1 A 52 52 TRP HA H 52 4.412 4.278 0.134 1
1 502 . 11 1 1 A 52 52 TRP C C 52 178.636 178.916 -0.280 1
1 503 . 11 1 1 A 52 52 TRP CA C 52 60.762 60.119 0.643 1
1 504 . 11 1 1 A 52 52 TRP CB C 52 29.830 29.442 0.388 1
1 510 . 11 1 1 A 52 52 TRP N N 52 118.438 118.676 -0.238 1
1 512 . 11 1 1 A 53 53 LYS H H 53 8.239 7.835 0.404 1
1 513 . 11 1 1 A 53 53 LYS HA H 53 4.077 4.008 0.069 1
1 522 . 11 1 1 A 53 53 LYS C C 53 179.777 178.917 0.860 1
1 523 . 11 1 1 A 53 53 LYS CA C 53 59.864 59.342 0.522 1
1 524 . 11 1 1 A 53 53 LYS CB C 53 32.077 32.379 -0.302 1
1 528 . 11 1 1 A 53 53 LYS N N 53 118.342 119.150 -0.808 1
1 529 . 11 1 1 A 54 54 HIS H H 54 7.592 7.758 -0.166 1
1 530 . 11 1 1 A 54 54 HIS HA H 54 4.351 4.383 -0.032 1
1 535 . 11 1 1 A 54 54 HIS C C 54 176.499 177.541 -1.042 1
1 536 . 11 1 1 A 54 54 HIS CA C 54 60.409 59.437 0.972 1
1 537 . 11 1 1 A 54 54 HIS CB C 54 28.701 30.584 -1.883 1
1 540 . 11 1 1 A 54 54 HIS N N 54 117.948 119.795 -1.847 1
1 541 . 11 1 1 A 55 55 LEU H H 55 8.223 8.690 -0.467 1
1 542 . 11 1 1 A 55 55 LEU HA H 55 3.829 3.943 -0.114 1
1 552 . 11 1 1 A 55 55 LEU C C 55 178.587 179.334 -0.747 1
1 553 . 11 1 1 A 55 55 LEU CA C 55 58.492 58.111 0.381 1
1 554 . 11 1 1 A 55 55 LEU CB C 55 42.293 41.583 0.710 1
1 558 . 11 1 1 A 55 55 LEU N N 55 118.224 119.725 -1.501 1
1 559 . 11 1 1 A 56 56 LYS H H 56 8.795 8.522 0.273 1
1 560 . 11 1 1 A 56 56 LYS HA H 56 3.823 4.273 -0.450 1
1 569 . 11 1 1 A 56 56 LYS C C 56 177.664 178.383 -0.719 1
1 570 . 11 1 1 A 56 56 LYS CA C 56 58.999 58.555 0.444 1
1 571 . 11 1 1 A 56 56 LYS CB C 56 32.395 32.178 0.217 1
1 575 . 11 1 1 A 56 56 LYS N N 56 115.460 117.814 -2.354 1
1 576 . 11 1 1 A 57 57 SER H H 57 7.600 7.898 -0.298 1
1 577 . 11 1 1 A 57 57 SER HA H 57 4.353 4.302 0.051 1
1 580 . 11 1 1 A 57 57 SER C C 57 176.451 175.515 0.936 1
1 581 . 11 1 1 A 57 57 SER CA C 57 60.480 61.181 -0.701 1
1 582 . 11 1 1 A 57 57 SER CB C 57 63.879 63.322 0.557 1
1 583 . 11 1 1 A 57 57 SER N N 57 110.773 114.908 -4.135 1
1 584 . 11 1 1 A 58 58 MET H H 58 7.685 7.630 0.055 1
1 585 . 11 1 1 A 58 58 MET HA H 58 4.555 4.528 0.027 1
1 593 . 11 1 1 A 58 58 MET C C 58 176.645 177.217 -0.572 1
1 594 . 11 1 1 A 58 58 MET CA C 58 55.158 55.367 -0.209 1
1 595 . 11 1 1 A 58 58 MET CB C 58 32.427 34.087 -1.660 1
1 598 . 11 1 1 A 58 58 MET N N 58 115.874 116.241 -0.367 1
1 599 . 11 1 1 A 59 59 HIS H H 59 7.685 7.908 -0.223 1
1 600 . 11 1 1 A 59 59 HIS HA H 59 5.357 4.644 0.713 1
1 605 . 11 1 1 A 59 59 HIS C C 59 175.140 175.637 -0.497 1
1 606 . 11 1 1 A 59 59 HIS CA C 59 53.114 55.709 -2.595 1
1 607 . 11 1 1 A 59 59 HIS CB C 59 29.080 29.253 -0.173 1
1 610 . 11 1 1 A 59 59 HIS N N 59 117.346 116.839 0.507 1
1 611 . 11 1 1 A 60 60 ARG H H 60 7.995 8.018 -0.023 1
1 612 . 11 1 1 A 60 60 ARG HA H 60 3.771 3.811 -0.040 1
1 619 . 11 1 1 A 60 60 ARG C C 60 178.684 178.481 0.203 1
1 620 . 11 1 1 A 60 60 ARG CA C 60 60.646 59.447 1.199 1
1 621 . 11 1 1 A 60 60 ARG CB C 60 29.959 30.029 -0.070 1
1 624 . 11 1 1 A 60 60 ARG N N 60 120.640 122.164 -1.524 1
1 625 . 11 1 1 A 61 61 GLU H H 61 8.929 8.031 0.898 1
1 626 . 11 1 1 A 61 61 GLU HA H 61 4.046 4.137 -0.091 1
1 631 . 11 1 1 A 61 61 GLU C C 61 179.024 179.357 -0.333 1
1 632 . 11 1 1 A 61 61 GLU CA C 61 59.775 59.250 0.525 1
1 633 . 11 1 1 A 61 61 GLU CB C 61 28.926 29.529 -0.603 1
1 635 . 11 1 1 A 61 61 GLU N N 61 117.239 118.940 -1.701 1
1 636 . 11 1 1 A 62 62 GLU H H 62 8.182 8.133 0.049 1
1 637 . 11 1 1 A 62 62 GLU HA H 62 4.078 4.046 0.032 1
1 642 . 11 1 1 A 62 62 GLU C C 62 179.242 179.252 -0.010 1
1 643 . 11 1 1 A 62 62 GLU CA C 62 59.317 59.115 0.202 1
1 644 . 11 1 1 A 62 62 GLU CB C 62 28.864 29.254 -0.390 1
1 646 . 11 1 1 A 62 62 GLU N N 62 120.004 121.165 -1.161 1
1 647 . 11 1 1 A 63 63 LEU H H 63 7.849 8.169 -0.320 1
1 648 . 11 1 1 A 63 63 LEU HA H 63 4.158 4.041 0.117 1
1 658 . 11 1 1 A 63 63 LEU C C 63 179.679 178.736 0.943 1
1 659 . 11 1 1 A 63 63 LEU CA C 63 57.449 57.910 -0.461 1
1 660 . 11 1 1 A 63 63 LEU CB C 63 41.552 41.719 -0.167 1
1 664 . 11 1 1 A 63 63 LEU N N 63 119.191 120.746 -1.555 1
1 665 . 11 1 1 A 64 64 GLU H H 64 8.097 8.197 -0.100 1
1 666 . 11 1 1 A 64 64 GLU HA H 64 4.113 3.919 0.194 1
1 671 . 11 1 1 A 64 64 GLU C C 64 178.951 178.935 0.016 1
1 672 . 11 1 1 A 64 64 GLU CA C 64 58.480 59.900 -1.420 1
1 673 . 11 1 1 A 64 64 GLU CB C 64 29.548 29.160 0.388 1
1 675 . 11 1 1 A 64 64 GLU N N 64 118.834 117.600 1.234 1
1 676 . 11 1 1 A 65 65 LYS H H 65 7.854 8.460 -0.606 1
1 677 . 11 1 1 A 65 65 LYS HA H 65 4.197 4.121 0.076 1
1 685 . 11 1 1 A 65 65 LYS C C 65 177.713 178.496 -0.783 1
1 686 . 11 1 1 A 65 65 LYS CA C 65 58.154 58.956 -0.802 1
1 687 . 11 1 1 A 65 65 LYS CB C 65 32.614 32.140 0.474 1
1 691 . 11 1 1 A 65 65 LYS N N 65 119.350 118.852 0.498 1
1 692 . 11 1 1 A 66 66 SER H H 66 7.816 7.455 0.361 1
1 693 . 11 1 1 A 66 66 SER HA H 66 4.457 4.447 0.010 1
1 696 . 11 1 1 A 66 66 SER C C 66 174.751 174.660 0.091 1
1 697 . 11 1 1 A 66 66 SER CA C 66 58.864 60.237 -1.373 1
1 698 . 11 1 1 A 66 66 SER CB C 66 64.180 63.977 0.203 1
1 699 . 11 1 1 A 66 66 SER N N 66 113.693 114.779 -1.086 1
1 700 . 11 1 1 A 67 67 GLY H H 67 7.959 7.909 0.050 1
1 701 . 11 1 1 A 67 67 GLY HA2 H 67 4.036 3.906 0.130 1
1 702 . 11 1 1 A 67 67 GLY HA3 H 67 3.924 3.986 -0.062 1
1 703 . 11 1 1 A 67 67 GLY C C 67 174.775 174.535 0.240 1
1 704 . 11 1 1 A 67 67 GLY CA C 67 45.678 44.944 0.734 1
1 705 . 11 1 1 A 67 67 GLY N N 67 108.980 107.901 1.079 1
1 706 . 11 1 1 A 68 68 HIS H H 68 8.148 7.884 0.264 1
1 707 . 11 1 1 A 68 68 HIS HA H 68 4.861 4.968 -0.107 1
1 712 . 11 1 1 A 68 68 HIS C C 68 176.159 176.219 -0.060 1
1 713 . 11 1 1 A 68 68 HIS CA C 68 56.004 55.657 0.347 1
1 714 . 11 1 1 A 68 68 HIS CB C 68 31.585 30.063 1.522 1
1 717 . 11 1 1 A 68 68 HIS N N 68 119.127 118.607 0.520 1
1 718 . 11 1 1 A 69 69 GLY H H 69 8.610 8.490 0.120 1
1 719 . 11 1 1 A 69 69 GLY HA2 H 69 3.903 3.682 0.221 1
1 720 . 11 1 1 A 69 69 GLY HA3 H 69 3.903 3.713 0.190 1
1 721 . 11 1 1 A 69 69 GLY C C 69 174.290 174.594 -0.304 1
1 722 . 11 1 1 A 69 69 GLY CA C 69 45.890 46.762 -0.872 1
1 723 . 11 1 1 A 69 69 GLY N N 69 109.663 108.765 0.898 1
1 724 . 11 1 1 A 70 70 GLN H H 70 8.325 7.818 0.507 1
1 725 . 11 1 1 A 70 70 GLN HA H 70 4.396 4.577 -0.181 1
1 732 . 11 1 1 A 70 70 GLN C C 70 176.208 176.075 0.133 1
1 733 . 11 1 1 A 70 70 GLN CA C 70 55.616 54.303 1.313 1
1 734 . 11 1 1 A 70 70 GLN CB C 70 29.441 26.711 2.730 1
1 736 . 11 1 1 A 70 70 GLN N N 70 119.031 120.819 -1.788 1
1 738 . 11 1 1 A 71 71 SER HA H 71 4.466 4.419 0.047 1
1 741 . 11 1 1 A 71 71 SER C C 71 174.096 174.462 -0.366 1
1 742 . 11 1 1 A 71 71 SER CA C 71 58.506 59.040 -0.534 1
1 743 . 11 1 1 A 71 71 SER CB C 71 64.126 63.812 0.314 1
1 744 . 11 1 1 A 72 72 GLY H H 72 8.136 7.846 0.290 1
1 745 . 11 1 1 A 72 72 GLY HA2 H 72 3.776 3.896 -0.120 1
1 746 . 11 1 1 A 72 72 GLY HA3 H 72 3.703 3.914 -0.211 1
1 747 . 11 1 1 A 72 72 GLY C C 72 171.644 174.135 -2.491 1
1 748 . 11 1 1 A 72 72 GLY CA C 72 44.304 45.323 -1.019 1
1 749 . 11 1 1 A 72 72 GLY N N 72 110.082 108.484 1.598 1
1 750 . 11 1 1 A 73 73 PRO HA H 73 4.408 4.324 0.084 1
1 757 . 11 1 1 A 73 73 PRO C C 73 175.067 176.764 -1.697 1
1 758 . 11 1 1 A 73 73 PRO CA C 73 63.151 64.872 -1.721 1
1 759 . 11 1 1 A 73 73 PRO CB C 73 32.225 31.974 0.251 1
1 763 . 11 1 1 A 74 74 SER CA C 74 58.647 58.211 0.436 1
1 1 . 12 1 1 A 7 7 GLY HA2 H 7 4.246 4.128 0.118 1
1 2 . 12 1 1 A 7 7 GLY HA3 H 7 4.111 4.154 -0.043 1
1 3 . 12 1 1 A 7 7 GLY CA C 7 46.145 45.630 0.515 1
1 4 . 12 1 1 A 8 8 SER HA H 8 4.472 4.611 -0.139 1
1 7 . 12 1 1 A 8 8 SER C C 8 175.844 174.456 1.388 1
1 8 . 12 1 1 A 8 8 SER CA C 8 60.307 58.699 1.608 1
1 9 . 12 1 1 A 8 8 SER CB C 8 63.621 63.098 0.523 1
1 10 . 12 1 1 A 9 9 GLU H H 9 9.766 8.441 1.325 1
1 11 . 12 1 1 A 9 9 GLU HA H 9 4.354 4.229 0.125 1
1 16 . 12 1 1 A 9 9 GLU C C 9 177.495 178.933 -1.438 1
1 17 . 12 1 1 A 9 9 GLU CA C 9 58.823 59.023 -0.200 1
1 18 . 12 1 1 A 9 9 GLU CB C 9 29.080 29.551 -0.471 1
1 20 . 12 1 1 A 9 9 GLU N N 9 124.626 122.124 2.502 1
1 21 . 12 1 1 A 10 10 ALA H H 10 7.788 7.779 0.009 1
1 22 . 12 1 1 A 10 10 ALA HA H 10 3.387 3.882 -0.495 1
1 26 . 12 1 1 A 10 10 ALA C C 10 179.145 179.759 -0.614 1
1 27 . 12 1 1 A 10 10 ALA CA C 10 54.588 54.541 0.047 1
1 28 . 12 1 1 A 10 10 ALA CB C 10 17.451 17.124 0.327 1
1 29 . 12 1 1 A 10 10 ALA N N 10 120.412 122.242 -1.830 1
1 30 . 12 1 1 A 11 11 TRP H H 11 7.481 8.182 -0.701 1
1 31 . 12 1 1 A 11 11 TRP HA H 11 4.440 4.673 -0.233 1
1 40 . 12 1 1 A 11 11 TRP C C 11 177.373 179.050 -1.677 1
1 41 . 12 1 1 A 11 11 TRP CA C 11 59.460 59.908 -0.448 1
1 42 . 12 1 1 A 11 11 TRP CB C 11 29.033 29.171 -0.138 1
1 48 . 12 1 1 A 11 11 TRP N N 11 113.286 118.206 -4.920 1
1 50 . 12 1 1 A 12 12 GLU H H 12 7.771 9.160 -1.389 1
1 51 . 12 1 1 A 12 12 GLU HA H 12 4.100 4.079 0.021 1
1 56 . 12 1 1 A 12 12 GLU C C 12 177.543 176.895 0.648 1
1 57 . 12 1 1 A 12 12 GLU CA C 12 58.195 59.179 -0.984 1
1 58 . 12 1 1 A 12 12 GLU CB C 12 29.265 29.335 -0.070 1
1 60 . 12 1 1 A 12 12 GLU N N 12 117.805 118.900 -1.095 1
1 61 . 12 1 1 A 13 13 TYR H H 13 7.748 8.293 -0.545 1
1 62 . 12 1 1 A 13 13 TYR HA H 13 4.181 4.546 -0.365 1
1 69 . 12 1 1 A 13 13 TYR C C 13 172.809 174.749 -1.940 1
1 70 . 12 1 1 A 13 13 TYR CA C 13 58.524 57.676 0.848 1
1 71 . 12 1 1 A 13 13 TYR CB C 13 40.503 38.365 2.138 1
1 76 . 12 1 1 A 13 13 TYR N N 13 114.665 115.910 -1.245 1
1 77 . 12 1 1 A 14 14 PHE H H 14 7.590 8.151 -0.561 1
1 78 . 12 1 1 A 14 14 PHE HA H 14 5.336 5.578 -0.242 1
1 86 . 12 1 1 A 14 14 PHE C C 14 174.508 174.754 -0.246 1
1 87 . 12 1 1 A 14 14 PHE CA C 14 56.895 56.646 0.249 1
1 88 . 12 1 1 A 14 14 PHE CB C 14 45.117 43.435 1.682 1
1 94 . 12 1 1 A 14 14 PHE N N 14 115.479 118.503 -3.024 1
1 95 . 12 1 1 A 15 15 HIS H H 15 9.046 9.462 -0.416 1
1 96 . 12 1 1 A 15 15 HIS HA H 15 5.111 5.639 -0.528 1
1 101 . 12 1 1 A 15 15 HIS C C 15 175.455 173.538 1.917 1
1 102 . 12 1 1 A 15 15 HIS CA C 15 54.841 54.004 0.837 1
1 103 . 12 1 1 A 15 15 HIS CB C 15 33.210 33.152 0.058 1
1 106 . 12 1 1 A 15 15 HIS N N 15 118.065 117.828 0.237 1
1 107 . 12 1 1 A 16 16 LEU H H 16 8.899 8.962 -0.063 1
1 108 . 12 1 1 A 16 16 LEU HA H 16 4.624 4.184 0.440 1
1 118 . 12 1 1 A 16 16 LEU C C 16 176.256 177.701 -1.445 1
1 119 . 12 1 1 A 16 16 LEU CA C 16 54.947 55.136 -0.189 1
1 120 . 12 1 1 A 16 16 LEU CB C 16 42.540 42.498 0.042 1
1 124 . 12 1 1 A 16 16 LEU N N 16 125.895 124.780 1.115 1
1 125 . 12 1 1 A 17 17 ALA H H 17 8.412 8.688 -0.276 1
1 126 . 12 1 1 A 17 17 ALA HA H 17 4.574 4.925 -0.351 1
1 130 . 12 1 1 A 17 17 ALA C C 17 175.188 175.825 -0.637 1
1 131 . 12 1 1 A 17 17 ALA CA C 17 50.400 50.501 -0.101 1
1 132 . 12 1 1 A 17 17 ALA CB C 17 18.205 19.531 -1.326 1
1 133 . 12 1 1 A 17 17 ALA N N 17 128.151 126.630 1.521 1
1 134 . 12 1 1 A 18 18 PRO HA H 18 4.373 4.658 -0.285 1
1 141 . 12 1 1 A 18 18 PRO C C 18 176.621 175.624 0.997 1
1 142 . 12 1 1 A 18 18 PRO CA C 18 62.911 62.430 0.481 1
1 143 . 12 1 1 A 18 18 PRO CB C 18 32.105 32.764 -0.659 1
1 146 . 12 1 1 A 19 19 ALA H H 19 8.434 8.446 -0.012 1
1 147 . 12 1 1 A 19 19 ALA HA H 19 4.300 4.884 -0.584 1
1 151 . 12 1 1 A 19 19 ALA C C 19 177.834 176.019 1.815 1
1 152 . 12 1 1 A 19 19 ALA CA C 19 52.515 50.731 1.784 1
1 153 . 12 1 1 A 19 19 ALA CB C 19 19.359 21.999 -2.640 1
1 154 . 12 1 1 A 19 19 ALA N N 19 125.267 123.686 1.581 1
1 155 . 12 1 1 A 20 20 ARG H H 20 8.450 8.908 -0.458 1
1 156 . 12 1 1 A 20 20 ARG HA H 20 4.366 4.572 -0.206 1
1 163 . 12 1 1 A 20 20 ARG C C 20 175.795 177.160 -1.365 1
1 164 . 12 1 1 A 20 20 ARG CA C 20 55.405 57.036 -1.631 1
1 165 . 12 1 1 A 20 20 ARG CB C 20 31.685 32.662 -0.977 1
1 168 . 12 1 1 A 20 20 ARG N N 20 121.353 123.161 -1.808 1
1 169 . 12 1 1 A 21 21 ALA HA H 21 4.229 4.115 0.114 1
1 173 . 12 1 1 A 21 21 ALA CA C 21 53.263 54.245 -0.982 1
1 174 . 12 1 1 A 21 21 ALA CB C 21 18.577 19.557 -0.980 1
1 175 . 12 1 1 A 22 22 GLY C C 22 175.407 172.627 2.780 1
1 176 . 12 1 1 A 23 23 HIS HA H 23 4.768 5.035 -0.267 1
1 181 . 12 1 1 A 23 23 HIS C C 23 178.611 173.143 5.468 1
1 182 . 12 1 1 A 23 23 HIS CA C 23 55.004 54.992 0.012 1
1 183 . 12 1 1 A 23 23 HIS CB C 23 30.750 31.856 -1.106 1
1 186 . 12 1 1 A 24 24 HIS HA H 24 4.673 4.159 0.514 1
1 191 . 12 1 1 A 24 24 HIS C C 24 179.801 175.417 4.384 1
1 192 . 12 1 1 A 24 24 HIS CA C 24 55.610 55.164 0.446 1
1 193 . 12 1 1 A 24 24 HIS CB C 24 31.802 30.505 1.297 1
1 196 . 12 1 1 A 25 25 PRO HA H 25 4.429 4.344 0.085 1
1 203 . 12 1 1 A 25 25 PRO C C 25 176.888 177.141 -0.253 1
1 204 . 12 1 1 A 25 25 PRO CA C 25 63.902 63.941 -0.039 1
1 205 . 12 1 1 A 25 25 PRO CB C 25 32.124 31.481 0.643 1
1 208 . 12 1 1 A 26 26 ASN H H 26 9.047 8.382 0.665 1
1 209 . 12 1 1 A 26 26 ASN HA H 26 4.788 5.018 -0.230 1
1 214 . 12 1 1 A 26 26 ASN C C 26 175.140 176.013 -0.873 1
1 215 . 12 1 1 A 26 26 ASN CA C 26 53.185 52.151 1.034 1
1 216 . 12 1 1 A 26 26 ASN CB C 26 38.696 38.994 -0.298 1
1 217 . 12 1 1 A 26 26 ASN N N 26 118.042 116.647 1.395 1
1 219 . 12 1 1 A 27 27 GLN H H 27 8.231 7.877 0.354 1
1 220 . 12 1 1 A 27 27 GLN HA H 27 4.226 4.377 -0.151 1
1 227 . 12 1 1 A 27 27 GLN C C 27 175.212 174.611 0.601 1
1 228 . 12 1 1 A 27 27 GLN CA C 27 57.149 57.825 -0.676 1
1 229 . 12 1 1 A 27 27 GLN CB C 27 29.741 30.131 -0.390 1
1 231 . 12 1 1 A 27 27 GLN N N 27 119.679 121.807 -2.128 1
1 233 . 12 1 1 A 28 28 TYR H H 28 8.059 7.820 0.239 1
1 234 . 12 1 1 A 28 28 TYR HA H 28 5.109 5.303 -0.194 1
1 241 . 12 1 1 A 28 28 TYR C C 28 174.290 174.487 -0.197 1
1 242 . 12 1 1 A 28 28 TYR CA C 28 56.779 56.641 0.138 1
1 243 . 12 1 1 A 28 28 TYR CB C 28 41.333 42.682 -1.349 1
1 248 . 12 1 1 A 28 28 TYR N N 28 116.269 114.813 1.456 1
1 249 . 12 1 1 A 29 29 ALA H H 29 8.837 8.901 -0.064 1
1 250 . 12 1 1 A 29 29 ALA HA H 29 5.054 5.303 -0.249 1
1 254 . 12 1 1 A 29 29 ALA C C 29 175.795 175.685 0.110 1
1 255 . 12 1 1 A 29 29 ALA CA C 29 50.612 50.177 0.435 1
1 256 . 12 1 1 A 29 29 ALA CB C 29 23.046 21.604 1.442 1
1 257 . 12 1 1 A 29 29 ALA N N 29 123.222 123.770 -0.548 1
1 258 . 12 1 1 A 30 30 THR H H 30 9.217 9.033 0.184 1
1 259 . 12 1 1 A 30 30 THR HA H 30 4.828 4.695 0.133 1
1 264 . 12 1 1 A 30 30 THR C C 30 173.659 174.093 -0.434 1
1 265 . 12 1 1 A 30 30 THR CA C 30 62.383 62.016 0.367 1
1 266 . 12 1 1 A 30 30 THR CB C 30 70.058 69.249 0.809 1
1 268 . 12 1 1 A 30 30 THR N N 30 119.265 117.779 1.486 1
1 269 . 12 1 1 A 31 31 CYS H H 31 8.927 8.895 0.032 1
1 270 . 12 1 1 A 31 31 CYS HA H 31 3.606 4.225 -0.619 1
1 273 . 12 1 1 A 31 31 CYS C C 31 177.956 175.452 2.504 1
1 274 . 12 1 1 A 31 31 CYS CA C 31 59.743 59.862 -0.119 1
1 275 . 12 1 1 A 31 31 CYS CB C 31 29.971 28.594 1.377 1
1 276 . 12 1 1 A 31 31 CYS N N 31 130.893 126.536 4.357 1
1 277 . 12 1 1 A 32 32 ARG H H 32 9.393 9.189 0.204 1
1 278 . 12 1 1 A 32 32 ARG HA H 32 4.043 4.385 -0.342 1
1 285 . 12 1 1 A 32 32 ARG C C 32 176.693 176.906 -0.213 1
1 286 . 12 1 1 A 32 32 ARG CA C 32 58.471 57.303 1.168 1
1 287 . 12 1 1 A 32 32 ARG CB C 32 30.553 30.060 0.493 1
1 290 . 12 1 1 A 32 32 ARG N N 32 130.594 127.950 2.644 1
1 291 . 12 1 1 A 33 33 LEU H H 33 9.135 7.626 1.509 1
1 292 . 12 1 1 A 33 33 LEU HA H 33 4.243 4.105 0.138 1
1 302 . 12 1 1 A 33 33 LEU C C 33 178.150 178.487 -0.337 1
1 303 . 12 1 1 A 33 33 LEU CA C 33 56.709 57.008 -0.299 1
1 304 . 12 1 1 A 33 33 LEU CB C 33 41.387 42.984 -1.597 1
1 308 . 12 1 1 A 33 33 LEU N N 33 121.037 117.863 3.174 1
1 309 . 12 1 1 A 34 34 CYS H H 34 8.186 7.978 0.208 1
1 310 . 12 1 1 A 34 34 CYS HA H 34 5.200 4.737 0.463 1
1 313 . 12 1 1 A 34 34 CYS C C 34 176.329 175.595 0.734 1
1 314 . 12 1 1 A 34 34 CYS CA C 34 58.365 59.339 -0.974 1
1 315 . 12 1 1 A 34 34 CYS CB C 34 32.799 30.209 2.590 1
1 316 . 12 1 1 A 34 34 CYS N N 34 115.308 113.139 2.169 1
1 317 . 12 1 1 A 35 35 GLY H H 35 8.027 8.236 -0.209 1
1 318 . 12 1 1 A 35 35 GLY HA2 H 35 3.808 4.047 -0.239 1
1 319 . 12 1 1 A 35 35 GLY HA3 H 35 4.196 4.052 0.144 1
1 320 . 12 1 1 A 35 35 GLY C C 35 173.683 174.152 -0.469 1
1 321 . 12 1 1 A 35 35 GLY CA C 35 46.313 45.311 1.002 1
1 322 . 12 1 1 A 35 35 GLY N N 35 113.546 110.332 3.214 1
1 323 . 12 1 1 A 36 36 ARG H H 36 8.272 7.218 1.054 1
1 324 . 12 1 1 A 36 36 ARG HA H 36 4.273 4.400 -0.127 1
1 331 . 12 1 1 A 36 36 ARG C C 36 175.625 175.999 -0.374 1
1 332 . 12 1 1 A 36 36 ARG CA C 36 56.774 55.655 1.119 1
1 333 . 12 1 1 A 36 36 ARG CB C 36 31.112 31.197 -0.085 1
1 336 . 12 1 1 A 36 36 ARG N N 36 121.138 119.835 1.303 1
1 337 . 12 1 1 A 37 37 GLN H H 37 8.509 8.622 -0.113 1
1 338 . 12 1 1 A 37 37 GLN HA H 37 4.888 4.942 -0.054 1
1 345 . 12 1 1 A 37 37 GLN C C 37 176.184 175.059 1.125 1
1 346 . 12 1 1 A 37 37 GLN CA C 37 55.475 55.871 -0.396 1
1 347 . 12 1 1 A 37 37 GLN CB C 37 29.426 29.623 -0.197 1
1 349 . 12 1 1 A 37 37 GLN N N 37 120.322 121.875 -1.553 1
1 351 . 12 1 1 A 38 38 VAL H H 38 9.281 9.207 0.074 1
1 352 . 12 1 1 A 38 38 VAL HA H 38 4.216 4.572 -0.356 1
1 360 . 12 1 1 A 38 38 VAL C C 38 174.848 175.594 -0.746 1
1 361 . 12 1 1 A 38 38 VAL CA C 38 61.243 60.997 0.246 1
1 362 . 12 1 1 A 38 38 VAL CB C 38 34.146 33.924 0.222 1
1 365 . 12 1 1 A 38 38 VAL N N 38 125.546 125.500 0.046 1
1 366 . 12 1 1 A 39 39 SER H H 39 8.590 8.600 -0.010 1
1 367 . 12 1 1 A 39 39 SER HA H 39 4.348 4.523 -0.175 1
1 370 . 12 1 1 A 39 39 SER C C 39 174.800 174.412 0.388 1
1 371 . 12 1 1 A 39 39 SER CA C 39 57.731 55.751 1.980 1
1 372 . 12 1 1 A 39 39 SER CB C 39 64.121 65.237 -1.116 1
1 373 . 12 1 1 A 39 39 SER N N 39 120.236 120.551 -0.315 1
1 374 . 12 1 1 A 40 40 ARG H H 40 8.684 8.836 -0.152 1
1 375 . 12 1 1 A 40 40 ARG HA H 40 4.189 4.393 -0.204 1
1 382 . 12 1 1 A 40 40 ARG C C 40 176.062 177.061 -0.999 1
1 383 . 12 1 1 A 40 40 ARG CA C 40 56.674 56.433 0.241 1
1 384 . 12 1 1 A 40 40 ARG CB C 40 31.302 31.804 -0.502 1
1 387 . 12 1 1 A 40 40 ARG N N 40 123.390 120.652 2.738 1
1 388 . 12 1 1 A 41 41 GLY H H 41 7.970 7.822 0.148 1
1 389 . 12 1 1 A 41 41 GLY HA2 H 41 3.920 4.061 -0.141 1
1 390 . 12 1 1 A 41 41 GLY HA3 H 41 4.216 4.062 0.154 1
1 391 . 12 1 1 A 41 41 GLY C C 41 171.037 173.562 -2.525 1
1 392 . 12 1 1 A 41 41 GLY CA C 41 44.269 44.340 -0.071 1
1 393 . 12 1 1 A 41 41 GLY N N 41 107.997 105.820 2.177 1
1 394 . 12 1 1 A 42 42 PRO HA H 42 4.462 4.249 0.213 1
1 401 . 12 1 1 A 42 42 PRO C C 42 176.451 177.457 -1.006 1
1 402 . 12 1 1 A 42 42 PRO CA C 42 63.179 63.596 -0.417 1
1 403 . 12 1 1 A 42 42 PRO CB C 42 32.144 31.919 0.225 1
1 406 . 12 1 1 A 43 43 GLY H H 43 8.388 9.005 -0.617 1
1 407 . 12 1 1 A 43 43 GLY HA2 H 43 4.065 3.746 0.319 1
1 408 . 12 1 1 A 43 43 GLY HA3 H 43 3.808 3.748 0.060 1
1 409 . 12 1 1 A 43 43 GLY CA C 43 45.278 47.068 -1.790 1
1 410 . 12 1 1 A 43 43 GLY N N 43 109.409 111.979 -2.570 1
1 411 . 12 1 1 A 44 44 VAL H H 44 7.913 8.077 -0.164 1
1 412 . 12 1 1 A 44 44 VAL HA H 44 4.107 4.709 -0.602 1
1 420 . 12 1 1 A 44 44 VAL CA C 44 62.352 60.712 1.640 1
1 421 . 12 1 1 A 44 44 VAL CB C 44 32.777 34.841 -2.064 1
1 424 . 12 1 1 A 44 44 VAL N N 44 117.689 119.879 -2.190 1
1 425 . 12 1 1 A 45 45 ASN HA H 45 4.713 5.296 -0.583 1
1 430 . 12 1 1 A 45 45 ASN CA C 45 53.201 53.654 -0.453 1
1 431 . 12 1 1 A 45 45 ASN CB C 45 38.671 40.855 -2.184 1
1 433 . 12 1 1 A 46 46 VAL H H 46 7.994 8.423 -0.429 1
1 434 . 12 1 1 A 46 46 VAL HA H 46 4.148 4.628 -0.480 1
1 439 . 12 1 1 A 46 46 VAL C C 46 177.834 176.225 1.609 1
1 440 . 12 1 1 A 46 46 VAL CA C 46 62.726 60.389 2.337 1
1 441 . 12 1 1 A 46 46 VAL CB C 46 32.476 34.623 -2.147 1
1 443 . 12 1 1 A 46 46 VAL N N 46 118.432 123.278 -4.846 1
1 444 . 12 1 1 A 47 47 GLY HA2 H 47 3.702 3.832 -0.130 1
1 445 . 12 1 1 A 47 47 GLY HA3 H 47 4.104 3.859 0.245 1
1 446 . 12 1 1 A 47 47 GLY C C 47 173.950 174.695 -0.745 1
1 447 . 12 1 1 A 47 47 GLY CA C 47 45.202 47.461 -2.259 1
1 448 . 12 1 1 A 48 48 THR H H 48 8.238 8.085 0.153 1
1 449 . 12 1 1 A 48 48 THR HA H 48 4.066 4.306 -0.240 1
1 454 . 12 1 1 A 48 48 THR C C 48 175.919 173.758 2.161 1
1 455 . 12 1 1 A 48 48 THR CA C 48 67.178 61.155 6.023 1
1 456 . 12 1 1 A 48 48 THR CB C 48 68.681 67.737 0.944 1
1 458 . 12 1 1 A 48 48 THR N N 48 118.267 114.209 4.058 1
1 459 . 12 1 1 A 49 49 THR HA H 49 3.981 4.153 -0.172 1
1 464 . 12 1 1 A 49 49 THR CA C 49 62.689 64.510 -1.821 1
1 465 . 12 1 1 A 49 49 THR CB C 49 69.410 69.530 -0.120 1
1 467 . 12 1 1 A 50 50 ALA HA H 50 4.091 3.924 0.167 1
1 471 . 12 1 1 A 50 50 ALA C C 50 180.456 179.475 0.981 1
1 472 . 12 1 1 A 50 50 ALA CA C 50 55.053 55.449 -0.396 1
1 473 . 12 1 1 A 50 50 ALA CB C 50 18.859 18.360 0.499 1
1 474 . 12 1 1 A 51 51 LEU H H 51 7.042 7.649 -0.607 1
1 475 . 12 1 1 A 51 51 LEU HA H 51 3.446 3.379 0.067 1
1 485 . 12 1 1 A 51 51 LEU C C 51 179.170 178.887 0.283 1
1 486 . 12 1 1 A 51 51 LEU CA C 51 57.395 57.515 -0.120 1
1 487 . 12 1 1 A 51 51 LEU CB C 51 39.050 41.547 -2.497 1
1 491 . 12 1 1 A 51 51 LEU N N 51 117.051 118.062 -1.011 1
1 492 . 12 1 1 A 52 52 TRP H H 52 7.992 8.077 -0.085 1
1 493 . 12 1 1 A 52 52 TRP HA H 52 4.412 4.342 0.070 1
1 502 . 12 1 1 A 52 52 TRP C C 52 178.636 178.935 -0.299 1
1 503 . 12 1 1 A 52 52 TRP CA C 52 60.762 60.315 0.447 1
1 504 . 12 1 1 A 52 52 TRP CB C 52 29.830 29.625 0.205 1
1 510 . 12 1 1 A 52 52 TRP N N 52 118.438 118.755 -0.317 1
1 512 . 12 1 1 A 53 53 LYS H H 53 8.239 8.251 -0.012 1
1 513 . 12 1 1 A 53 53 LYS HA H 53 4.077 4.021 0.056 1
1 522 . 12 1 1 A 53 53 LYS C C 53 179.777 178.900 0.877 1
1 523 . 12 1 1 A 53 53 LYS CA C 53 59.864 59.666 0.198 1
1 524 . 12 1 1 A 53 53 LYS CB C 53 32.077 32.522 -0.445 1
1 528 . 12 1 1 A 53 53 LYS N N 53 118.342 119.136 -0.794 1
1 529 . 12 1 1 A 54 54 HIS H H 54 7.592 8.100 -0.508 1
1 530 . 12 1 1 A 54 54 HIS HA H 54 4.351 4.371 -0.020 1
1 535 . 12 1 1 A 54 54 HIS C C 54 176.499 177.462 -0.963 1
1 536 . 12 1 1 A 54 54 HIS CA C 54 60.409 59.506 0.903 1
1 537 . 12 1 1 A 54 54 HIS CB C 54 28.701 30.580 -1.879 1
1 540 . 12 1 1 A 54 54 HIS N N 54 117.948 119.782 -1.834 1
1 541 . 12 1 1 A 55 55 LEU H H 55 8.223 8.660 -0.437 1
1 542 . 12 1 1 A 55 55 LEU HA H 55 3.829 3.923 -0.094 1
1 552 . 12 1 1 A 55 55 LEU C C 55 178.587 179.331 -0.744 1
1 553 . 12 1 1 A 55 55 LEU CA C 55 58.492 58.094 0.398 1
1 554 . 12 1 1 A 55 55 LEU CB C 55 42.293 41.651 0.642 1
1 558 . 12 1 1 A 55 55 LEU N N 55 118.224 119.562 -1.338 1
1 559 . 12 1 1 A 56 56 LYS H H 56 8.795 8.582 0.213 1
1 560 . 12 1 1 A 56 56 LYS HA H 56 3.823 4.250 -0.427 1
1 569 . 12 1 1 A 56 56 LYS C C 56 177.664 178.580 -0.916 1
1 570 . 12 1 1 A 56 56 LYS CA C 56 58.999 58.407 0.592 1
1 571 . 12 1 1 A 56 56 LYS CB C 56 32.395 32.206 0.189 1
1 575 . 12 1 1 A 56 56 LYS N N 56 115.460 117.700 -2.240 1
1 576 . 12 1 1 A 57 57 SER H H 57 7.600 7.764 -0.164 1
1 577 . 12 1 1 A 57 57 SER HA H 57 4.353 4.282 0.071 1
1 580 . 12 1 1 A 57 57 SER C C 57 176.451 175.640 0.811 1
1 581 . 12 1 1 A 57 57 SER CA C 57 60.480 61.159 -0.679 1
1 582 . 12 1 1 A 57 57 SER CB C 57 63.879 63.234 0.645 1
1 583 . 12 1 1 A 57 57 SER N N 57 110.773 114.903 -4.130 1
1 584 . 12 1 1 A 58 58 MET H H 58 7.685 7.633 0.052 1
1 585 . 12 1 1 A 58 58 MET HA H 58 4.555 4.515 0.040 1
1 593 . 12 1 1 A 58 58 MET C C 58 176.645 177.152 -0.507 1
1 594 . 12 1 1 A 58 58 MET CA C 58 55.158 55.334 -0.176 1
1 595 . 12 1 1 A 58 58 MET CB C 58 32.427 34.200 -1.773 1
1 598 . 12 1 1 A 58 58 MET N N 58 115.874 116.202 -0.328 1
1 599 . 12 1 1 A 59 59 HIS H H 59 7.685 7.691 -0.006 1
1 600 . 12 1 1 A 59 59 HIS HA H 59 5.357 4.673 0.684 1
1 605 . 12 1 1 A 59 59 HIS C C 59 175.140 175.540 -0.400 1
1 606 . 12 1 1 A 59 59 HIS CA C 59 53.114 55.597 -2.483 1
1 607 . 12 1 1 A 59 59 HIS CB C 59 29.080 29.131 -0.051 1
1 610 . 12 1 1 A 59 59 HIS N N 59 117.346 116.982 0.364 1
1 611 . 12 1 1 A 60 60 ARG H H 60 7.995 7.996 -0.001 1
1 612 . 12 1 1 A 60 60 ARG HA H 60 3.771 3.791 -0.020 1
1 619 . 12 1 1 A 60 60 ARG C C 60 178.684 178.802 -0.118 1
1 620 . 12 1 1 A 60 60 ARG CA C 60 60.646 59.730 0.916 1
1 621 . 12 1 1 A 60 60 ARG CB C 60 29.959 29.981 -0.022 1
1 624 . 12 1 1 A 60 60 ARG N N 60 120.640 122.032 -1.392 1
1 625 . 12 1 1 A 61 61 GLU H H 61 8.929 8.150 0.779 1
1 626 . 12 1 1 A 61 61 GLU HA H 61 4.046 4.189 -0.143 1
1 631 . 12 1 1 A 61 61 GLU C C 61 179.024 179.450 -0.426 1
1 632 . 12 1 1 A 61 61 GLU CA C 61 59.775 57.465 2.310 1
1 633 . 12 1 1 A 61 61 GLU CB C 61 28.926 29.594 -0.668 1
1 635 . 12 1 1 A 61 61 GLU N N 61 117.239 118.667 -1.428 1
1 636 . 12 1 1 A 62 62 GLU H H 62 8.182 8.068 0.114 1
1 637 . 12 1 1 A 62 62 GLU HA H 62 4.078 4.025 0.053 1
1 642 . 12 1 1 A 62 62 GLU C C 62 179.242 179.427 -0.185 1
1 643 . 12 1 1 A 62 62 GLU CA C 62 59.317 59.188 0.129 1
1 644 . 12 1 1 A 62 62 GLU CB C 62 28.864 29.353 -0.489 1
1 646 . 12 1 1 A 62 62 GLU N N 62 120.004 119.929 0.075 1
1 647 . 12 1 1 A 63 63 LEU H H 63 7.849 8.177 -0.328 1
1 648 . 12 1 1 A 63 63 LEU HA H 63 4.158 4.127 0.031 1
1 658 . 12 1 1 A 63 63 LEU C C 63 179.679 178.762 0.917 1
1 659 . 12 1 1 A 63 63 LEU CA C 63 57.449 57.954 -0.505 1
1 660 . 12 1 1 A 63 63 LEU CB C 63 41.552 41.776 -0.224 1
1 664 . 12 1 1 A 63 63 LEU N N 63 119.191 120.383 -1.192 1
1 665 . 12 1 1 A 64 64 GLU H H 64 8.097 8.130 -0.033 1
1 666 . 12 1 1 A 64 64 GLU HA H 64 4.113 3.938 0.175 1
1 671 . 12 1 1 A 64 64 GLU C C 64 178.951 178.917 0.034 1
1 672 . 12 1 1 A 64 64 GLU CA C 64 58.480 59.869 -1.389 1
1 673 . 12 1 1 A 64 64 GLU CB C 64 29.548 29.375 0.173 1
1 675 . 12 1 1 A 64 64 GLU N N 64 118.834 117.489 1.345 1
1 676 . 12 1 1 A 65 65 LYS H H 65 7.854 8.007 -0.153 1
1 677 . 12 1 1 A 65 65 LYS HA H 65 4.197 4.098 0.099 1
1 685 . 12 1 1 A 65 65 LYS C C 65 177.713 178.315 -0.602 1
1 686 . 12 1 1 A 65 65 LYS CA C 65 58.154 59.249 -1.095 1
1 687 . 12 1 1 A 65 65 LYS CB C 65 32.614 32.445 0.169 1
1 691 . 12 1 1 A 65 65 LYS N N 65 119.350 121.476 -2.126 1
1 692 . 12 1 1 A 66 66 SER H H 66 7.816 8.322 -0.506 1
1 693 . 12 1 1 A 66 66 SER HA H 66 4.457 4.244 0.213 1
1 696 . 12 1 1 A 66 66 SER C C 66 174.751 175.354 -0.603 1
1 697 . 12 1 1 A 66 66 SER CA C 66 58.864 59.886 -1.022 1
1 698 . 12 1 1 A 66 66 SER CB C 66 64.180 64.166 0.014 1
1 699 . 12 1 1 A 66 66 SER N N 66 113.693 114.246 -0.553 1
1 700 . 12 1 1 A 67 67 GLY H H 67 7.959 7.978 -0.019 1
1 701 . 12 1 1 A 67 67 GLY HA2 H 67 4.036 4.034 0.002 1
1 702 . 12 1 1 A 67 67 GLY HA3 H 67 3.924 4.042 -0.118 1
1 703 . 12 1 1 A 67 67 GLY C C 67 174.775 175.033 -0.258 1
1 704 . 12 1 1 A 67 67 GLY CA C 67 45.678 46.534 -0.856 1
1 705 . 12 1 1 A 67 67 GLY N N 67 108.980 109.872 -0.892 1
1 706 . 12 1 1 A 68 68 HIS H H 68 8.148 8.089 0.059 1
1 707 . 12 1 1 A 68 68 HIS HA H 68 4.861 4.764 0.097 1
1 712 . 12 1 1 A 68 68 HIS C C 68 176.159 175.190 0.969 1
1 713 . 12 1 1 A 68 68 HIS CA C 68 56.004 56.014 -0.010 1
1 714 . 12 1 1 A 68 68 HIS CB C 68 31.585 29.756 1.829 1
1 717 . 12 1 1 A 68 68 HIS N N 68 119.127 116.814 2.313 1
1 718 . 12 1 1 A 69 69 GLY H H 69 8.610 8.445 0.165 1
1 719 . 12 1 1 A 69 69 GLY HA2 H 69 3.903 3.843 0.060 1
1 720 . 12 1 1 A 69 69 GLY HA3 H 69 3.903 3.851 0.052 1
1 721 . 12 1 1 A 69 69 GLY C C 69 174.290 174.493 -0.203 1
1 722 . 12 1 1 A 69 69 GLY CA C 69 45.890 44.910 0.980 1
1 723 . 12 1 1 A 69 69 GLY N N 69 109.663 107.230 2.433 1
1 724 . 12 1 1 A 70 70 GLN H H 70 8.325 8.569 -0.244 1
1 725 . 12 1 1 A 70 70 GLN HA H 70 4.396 4.456 -0.060 1
1 732 . 12 1 1 A 70 70 GLN C C 70 176.208 176.365 -0.157 1
1 733 . 12 1 1 A 70 70 GLN CA C 70 55.616 54.999 0.617 1
1 734 . 12 1 1 A 70 70 GLN CB C 70 29.441 26.975 2.466 1
1 736 . 12 1 1 A 70 70 GLN N N 70 119.031 120.182 -1.151 1
1 738 . 12 1 1 A 71 71 SER HA H 71 4.466 4.268 0.198 1
1 741 . 12 1 1 A 71 71 SER C C 71 174.096 173.943 0.153 1
1 742 . 12 1 1 A 71 71 SER CA C 71 58.506 57.229 1.277 1
1 743 . 12 1 1 A 71 71 SER CB C 71 64.126 62.510 1.616 1
1 744 . 12 1 1 A 72 72 GLY H H 72 8.136 7.289 0.847 1
1 745 . 12 1 1 A 72 72 GLY HA2 H 72 3.776 3.981 -0.205 1
1 746 . 12 1 1 A 72 72 GLY HA3 H 72 3.703 3.993 -0.290 1
1 747 . 12 1 1 A 72 72 GLY C C 72 171.644 171.521 0.123 1
1 748 . 12 1 1 A 72 72 GLY CA C 72 44.304 45.365 -1.061 1
1 749 . 12 1 1 A 72 72 GLY N N 72 110.082 109.561 0.521 1
1 750 . 12 1 1 A 73 73 PRO HA H 73 4.408 4.434 -0.026 1
1 757 . 12 1 1 A 73 73 PRO C C 73 175.067 176.874 -1.807 1
1 758 . 12 1 1 A 73 73 PRO CA C 73 63.151 62.843 0.308 1
1 759 . 12 1 1 A 73 73 PRO CB C 73 32.225 32.140 0.085 1
1 763 . 12 1 1 A 74 74 SER CA C 74 58.647 58.808 -0.161 1
1 1 . 13 1 1 A 7 7 GLY HA2 H 7 4.246 3.966 0.280 1
1 2 . 13 1 1 A 7 7 GLY HA3 H 7 4.111 4.007 0.104 1
1 3 . 13 1 1 A 7 7 GLY CA C 7 46.145 47.355 -1.210 1
1 4 . 13 1 1 A 8 8 SER HA H 8 4.472 5.012 -0.540 1
1 7 . 13 1 1 A 8 8 SER C C 8 175.844 174.720 1.124 1
1 8 . 13 1 1 A 8 8 SER CA C 8 60.307 58.514 1.793 1
1 9 . 13 1 1 A 8 8 SER CB C 8 63.621 63.484 0.137 1
1 10 . 13 1 1 A 9 9 GLU H H 9 9.766 8.310 1.456 1
1 11 . 13 1 1 A 9 9 GLU HA H 9 4.354 4.155 0.199 1
1 16 . 13 1 1 A 9 9 GLU C C 9 177.495 178.654 -1.159 1
1 17 . 13 1 1 A 9 9 GLU CA C 9 58.823 59.200 -0.377 1
1 18 . 13 1 1 A 9 9 GLU CB C 9 29.080 29.270 -0.190 1
1 20 . 13 1 1 A 9 9 GLU N N 9 124.626 122.465 2.161 1
1 21 . 13 1 1 A 10 10 ALA H H 10 7.788 7.923 -0.135 1
1 22 . 13 1 1 A 10 10 ALA HA H 10 3.387 3.723 -0.336 1
1 26 . 13 1 1 A 10 10 ALA C C 10 179.145 179.375 -0.230 1
1 27 . 13 1 1 A 10 10 ALA CA C 10 54.588 54.499 0.089 1
1 28 . 13 1 1 A 10 10 ALA CB C 10 17.451 17.141 0.310 1
1 29 . 13 1 1 A 10 10 ALA N N 10 120.412 120.600 -0.188 1
1 30 . 13 1 1 A 11 11 TRP H H 11 7.481 8.104 -0.623 1
1 31 . 13 1 1 A 11 11 TRP HA H 11 4.440 4.679 -0.239 1
1 40 . 13 1 1 A 11 11 TRP C C 11 177.373 178.984 -1.611 1
1 41 . 13 1 1 A 11 11 TRP CA C 11 59.460 59.869 -0.409 1
1 42 . 13 1 1 A 11 11 TRP CB C 11 29.033 29.393 -0.360 1
1 48 . 13 1 1 A 11 11 TRP N N 11 113.286 118.107 -4.821 1
1 50 . 13 1 1 A 12 12 GLU H H 12 7.771 9.096 -1.325 1
1 51 . 13 1 1 A 12 12 GLU HA H 12 4.100 4.113 -0.013 1
1 56 . 13 1 1 A 12 12 GLU C C 12 177.543 176.899 0.644 1
1 57 . 13 1 1 A 12 12 GLU CA C 12 58.195 58.978 -0.783 1
1 58 . 13 1 1 A 12 12 GLU CB C 12 29.265 29.131 0.134 1
1 60 . 13 1 1 A 12 12 GLU N N 12 117.805 118.797 -0.992 1
1 61 . 13 1 1 A 13 13 TYR H H 13 7.748 8.271 -0.523 1
1 62 . 13 1 1 A 13 13 TYR HA H 13 4.181 4.588 -0.407 1
1 69 . 13 1 1 A 13 13 TYR C C 13 172.809 174.738 -1.929 1
1 70 . 13 1 1 A 13 13 TYR CA C 13 58.524 57.596 0.928 1
1 71 . 13 1 1 A 13 13 TYR CB C 13 40.503 38.648 1.855 1
1 76 . 13 1 1 A 13 13 TYR N N 13 114.665 115.977 -1.312 1
1 77 . 13 1 1 A 14 14 PHE H H 14 7.590 8.113 -0.523 1
1 78 . 13 1 1 A 14 14 PHE HA H 14 5.336 5.539 -0.203 1
1 86 . 13 1 1 A 14 14 PHE C C 14 174.508 174.622 -0.114 1
1 87 . 13 1 1 A 14 14 PHE CA C 14 56.895 56.547 0.348 1
1 88 . 13 1 1 A 14 14 PHE CB C 14 45.117 43.378 1.739 1
1 94 . 13 1 1 A 14 14 PHE N N 14 115.479 118.475 -2.996 1
1 95 . 13 1 1 A 15 15 HIS H H 15 9.046 9.288 -0.242 1
1 96 . 13 1 1 A 15 15 HIS HA H 15 5.111 5.567 -0.456 1
1 101 . 13 1 1 A 15 15 HIS C C 15 175.455 172.905 2.550 1
1 102 . 13 1 1 A 15 15 HIS CA C 15 54.841 53.946 0.895 1
1 103 . 13 1 1 A 15 15 HIS CB C 15 33.210 32.972 0.238 1
1 106 . 13 1 1 A 15 15 HIS N N 15 118.065 117.677 0.388 1
1 107 . 13 1 1 A 16 16 LEU H H 16 8.899 8.978 -0.079 1
1 108 . 13 1 1 A 16 16 LEU HA H 16 4.624 4.401 0.223 1
1 118 . 13 1 1 A 16 16 LEU C C 16 176.256 177.449 -1.193 1
1 119 . 13 1 1 A 16 16 LEU CA C 16 54.947 55.278 -0.331 1
1 120 . 13 1 1 A 16 16 LEU CB C 16 42.540 42.119 0.421 1
1 124 . 13 1 1 A 16 16 LEU N N 16 125.895 124.781 1.114 1
1 125 . 13 1 1 A 17 17 ALA H H 17 8.412 8.136 0.276 1
1 126 . 13 1 1 A 17 17 ALA HA H 17 4.574 4.947 -0.373 1
1 130 . 13 1 1 A 17 17 ALA C C 17 175.188 175.577 -0.389 1
1 131 . 13 1 1 A 17 17 ALA CA C 17 50.400 50.557 -0.157 1
1 132 . 13 1 1 A 17 17 ALA CB C 17 18.205 19.030 -0.825 1
1 133 . 13 1 1 A 17 17 ALA N N 17 128.151 127.591 0.560 1
1 134 . 13 1 1 A 18 18 PRO HA H 18 4.373 4.518 -0.145 1
1 141 . 13 1 1 A 18 18 PRO C C 18 176.621 176.563 0.058 1
1 142 . 13 1 1 A 18 18 PRO CA C 18 62.911 62.535 0.376 1
1 143 . 13 1 1 A 18 18 PRO CB C 18 32.105 32.151 -0.046 1
1 146 . 13 1 1 A 19 19 ALA H H 19 8.434 8.338 0.096 1
1 147 . 13 1 1 A 19 19 ALA HA H 19 4.300 4.317 -0.017 1
1 151 . 13 1 1 A 19 19 ALA C C 19 177.834 176.512 1.322 1
1 152 . 13 1 1 A 19 19 ALA CA C 19 52.515 52.000 0.515 1
1 153 . 13 1 1 A 19 19 ALA CB C 19 19.359 18.385 0.974 1
1 154 . 13 1 1 A 19 19 ALA N N 19 125.267 125.292 -0.025 1
1 155 . 13 1 1 A 20 20 ARG H H 20 8.450 8.224 0.226 1
1 156 . 13 1 1 A 20 20 ARG HA H 20 4.366 4.755 -0.389 1
1 163 . 13 1 1 A 20 20 ARG C C 20 175.795 176.308 -0.513 1
1 164 . 13 1 1 A 20 20 ARG CA C 20 55.405 54.610 0.795 1
1 165 . 13 1 1 A 20 20 ARG CB C 20 31.685 31.653 0.032 1
1 168 . 13 1 1 A 20 20 ARG N N 20 121.353 123.610 -2.257 1
1 169 . 13 1 1 A 21 21 ALA HA H 21 4.229 3.876 0.353 1
1 173 . 13 1 1 A 21 21 ALA CA C 21 53.263 53.132 0.131 1
1 174 . 13 1 1 A 21 21 ALA CB C 21 18.577 17.806 0.771 1
1 175 . 13 1 1 A 22 22 GLY C C 22 175.407 172.254 3.153 1
1 176 . 13 1 1 A 23 23 HIS HA H 23 4.768 4.662 0.106 1
1 181 . 13 1 1 A 23 23 HIS C C 23 178.611 174.795 3.816 1
1 182 . 13 1 1 A 23 23 HIS CA C 23 55.004 56.140 -1.136 1
1 183 . 13 1 1 A 23 23 HIS CB C 23 30.750 30.340 0.410 1
1 186 . 13 1 1 A 24 24 HIS HA H 24 4.673 4.621 0.052 1
1 191 . 13 1 1 A 24 24 HIS C C 24 179.801 174.819 4.982 1
1 192 . 13 1 1 A 24 24 HIS CA C 24 55.610 55.075 0.535 1
1 193 . 13 1 1 A 24 24 HIS CB C 24 31.802 30.190 1.612 1
1 196 . 13 1 1 A 25 25 PRO HA H 25 4.429 4.276 0.153 1
1 203 . 13 1 1 A 25 25 PRO C C 25 176.888 176.261 0.627 1
1 204 . 13 1 1 A 25 25 PRO CA C 25 63.902 62.445 1.457 1
1 205 . 13 1 1 A 25 25 PRO CB C 25 32.124 32.517 -0.393 1
1 208 . 13 1 1 A 26 26 ASN H H 26 9.047 8.807 0.240 1
1 209 . 13 1 1 A 26 26 ASN HA H 26 4.788 4.296 0.492 1
1 214 . 13 1 1 A 26 26 ASN C C 26 175.140 175.167 -0.027 1
1 215 . 13 1 1 A 26 26 ASN CA C 26 53.185 54.175 -0.990 1
1 216 . 13 1 1 A 26 26 ASN CB C 26 38.696 37.140 1.556 1
1 217 . 13 1 1 A 26 26 ASN N N 26 118.042 114.600 3.442 1
1 219 . 13 1 1 A 27 27 GLN H H 27 8.231 8.344 -0.113 1
1 220 . 13 1 1 A 27 27 GLN HA H 27 4.226 4.487 -0.261 1
1 227 . 13 1 1 A 27 27 GLN C C 27 175.212 175.489 -0.277 1
1 228 . 13 1 1 A 27 27 GLN CA C 27 57.149 56.207 0.942 1
1 229 . 13 1 1 A 27 27 GLN CB C 27 29.741 30.566 -0.825 1
1 231 . 13 1 1 A 27 27 GLN N N 27 119.679 114.855 4.824 1
1 233 . 13 1 1 A 28 28 TYR H H 28 8.059 7.801 0.258 1
1 234 . 13 1 1 A 28 28 TYR HA H 28 5.109 5.295 -0.186 1
1 241 . 13 1 1 A 28 28 TYR C C 28 174.290 174.199 0.091 1
1 242 . 13 1 1 A 28 28 TYR CA C 28 56.779 56.910 -0.131 1
1 243 . 13 1 1 A 28 28 TYR CB C 28 41.333 42.013 -0.680 1
1 248 . 13 1 1 A 28 28 TYR N N 28 116.269 118.008 -1.739 1
1 249 . 13 1 1 A 29 29 ALA H H 29 8.837 8.833 0.004 1
1 250 . 13 1 1 A 29 29 ALA HA H 29 5.054 5.242 -0.188 1
1 254 . 13 1 1 A 29 29 ALA C C 29 175.795 175.721 0.074 1
1 255 . 13 1 1 A 29 29 ALA CA C 29 50.612 50.259 0.353 1
1 256 . 13 1 1 A 29 29 ALA CB C 29 23.046 20.991 2.055 1
1 257 . 13 1 1 A 29 29 ALA N N 29 123.222 125.770 -2.548 1
1 258 . 13 1 1 A 30 30 THR H H 30 9.217 9.061 0.156 1
1 259 . 13 1 1 A 30 30 THR HA H 30 4.828 4.663 0.165 1
1 264 . 13 1 1 A 30 30 THR C C 30 173.659 174.281 -0.622 1
1 265 . 13 1 1 A 30 30 THR CA C 30 62.383 62.009 0.374 1
1 266 . 13 1 1 A 30 30 THR CB C 30 70.058 68.924 1.134 1
1 268 . 13 1 1 A 30 30 THR N N 30 119.265 118.424 0.841 1
1 269 . 13 1 1 A 31 31 CYS H H 31 8.927 9.015 -0.088 1
1 270 . 13 1 1 A 31 31 CYS HA H 31 3.606 4.126 -0.520 1
1 273 . 13 1 1 A 31 31 CYS C C 31 177.956 175.565 2.391 1
1 274 . 13 1 1 A 31 31 CYS CA C 31 59.743 59.762 -0.019 1
1 275 . 13 1 1 A 31 31 CYS CB C 31 29.971 28.567 1.404 1
1 276 . 13 1 1 A 31 31 CYS N N 31 130.893 126.520 4.373 1
1 277 . 13 1 1 A 32 32 ARG H H 32 9.393 9.128 0.265 1
1 278 . 13 1 1 A 32 32 ARG HA H 32 4.043 4.302 -0.259 1
1 285 . 13 1 1 A 32 32 ARG C C 32 176.693 176.811 -0.118 1
1 286 . 13 1 1 A 32 32 ARG CA C 32 58.471 57.639 0.832 1
1 287 . 13 1 1 A 32 32 ARG CB C 32 30.553 30.004 0.549 1
1 290 . 13 1 1 A 32 32 ARG N N 32 130.594 127.971 2.623 1
1 291 . 13 1 1 A 33 33 LEU H H 33 9.135 7.506 1.629 1
1 292 . 13 1 1 A 33 33 LEU HA H 33 4.243 4.133 0.110 1
1 302 . 13 1 1 A 33 33 LEU C C 33 178.150 178.454 -0.304 1
1 303 . 13 1 1 A 33 33 LEU CA C 33 56.709 56.995 -0.286 1
1 304 . 13 1 1 A 33 33 LEU CB C 33 41.387 42.927 -1.540 1
1 308 . 13 1 1 A 33 33 LEU N N 33 121.037 117.761 3.276 1
1 309 . 13 1 1 A 34 34 CYS H H 34 8.186 8.021 0.165 1
1 310 . 13 1 1 A 34 34 CYS HA H 34 5.200 4.722 0.478 1
1 313 . 13 1 1 A 34 34 CYS C C 34 176.329 175.638 0.691 1
1 314 . 13 1 1 A 34 34 CYS CA C 34 58.365 59.557 -1.192 1
1 315 . 13 1 1 A 34 34 CYS CB C 34 32.799 30.072 2.727 1
1 316 . 13 1 1 A 34 34 CYS N N 34 115.308 113.178 2.130 1
1 317 . 13 1 1 A 35 35 GLY H H 35 8.027 8.360 -0.333 1
1 318 . 13 1 1 A 35 35 GLY HA2 H 35 3.808 3.977 -0.169 1
1 319 . 13 1 1 A 35 35 GLY HA3 H 35 4.196 3.988 0.208 1
1 320 . 13 1 1 A 35 35 GLY C C 35 173.683 174.063 -0.380 1
1 321 . 13 1 1 A 35 35 GLY CA C 35 46.313 45.442 0.871 1
1 322 . 13 1 1 A 35 35 GLY N N 35 113.546 110.454 3.092 1
1 323 . 13 1 1 A 36 36 ARG H H 36 8.272 7.242 1.030 1
1 324 . 13 1 1 A 36 36 ARG HA H 36 4.273 4.638 -0.365 1
1 331 . 13 1 1 A 36 36 ARG C C 36 175.625 176.158 -0.533 1
1 332 . 13 1 1 A 36 36 ARG CA C 36 56.774 54.633 2.141 1
1 333 . 13 1 1 A 36 36 ARG CB C 36 31.112 32.008 -0.896 1
1 336 . 13 1 1 A 36 36 ARG N N 36 121.138 119.304 1.834 1
1 337 . 13 1 1 A 37 37 GLN H H 37 8.509 8.523 -0.014 1
1 338 . 13 1 1 A 37 37 GLN HA H 37 4.888 5.122 -0.234 1
1 345 . 13 1 1 A 37 37 GLN C C 37 176.184 175.029 1.155 1
1 346 . 13 1 1 A 37 37 GLN CA C 37 55.475 55.713 -0.238 1
1 347 . 13 1 1 A 37 37 GLN CB C 37 29.426 29.607 -0.181 1
1 349 . 13 1 1 A 37 37 GLN N N 37 120.322 121.454 -1.132 1
1 351 . 13 1 1 A 38 38 VAL H H 38 9.281 9.144 0.137 1
1 352 . 13 1 1 A 38 38 VAL HA H 38 4.216 4.433 -0.217 1
1 360 . 13 1 1 A 38 38 VAL C C 38 174.848 175.127 -0.279 1
1 361 . 13 1 1 A 38 38 VAL CA C 38 61.243 61.798 -0.555 1
1 362 . 13 1 1 A 38 38 VAL CB C 38 34.146 33.516 0.630 1
1 365 . 13 1 1 A 38 38 VAL N N 38 125.546 124.500 1.046 1
1 366 . 13 1 1 A 39 39 SER H H 39 8.590 8.939 -0.349 1
1 367 . 13 1 1 A 39 39 SER HA H 39 4.348 4.232 0.116 1
1 370 . 13 1 1 A 39 39 SER C C 39 174.800 175.065 -0.265 1
1 371 . 13 1 1 A 39 39 SER CA C 39 57.731 58.766 -1.035 1
1 372 . 13 1 1 A 39 39 SER CB C 39 64.121 62.891 1.230 1
1 373 . 13 1 1 A 39 39 SER N N 39 120.236 123.842 -3.606 1
1 374 . 13 1 1 A 40 40 ARG H H 40 8.684 8.736 -0.052 1
1 375 . 13 1 1 A 40 40 ARG HA H 40 4.189 3.915 0.274 1
1 382 . 13 1 1 A 40 40 ARG C C 40 176.062 176.215 -0.153 1
1 383 . 13 1 1 A 40 40 ARG CA C 40 56.674 58.592 -1.918 1
1 384 . 13 1 1 A 40 40 ARG CB C 40 31.302 31.112 0.190 1
1 387 . 13 1 1 A 40 40 ARG N N 40 123.390 125.373 -1.983 1
1 388 . 13 1 1 A 41 41 GLY H H 41 7.970 7.743 0.227 1
1 389 . 13 1 1 A 41 41 GLY HA2 H 41 3.920 4.027 -0.107 1
1 390 . 13 1 1 A 41 41 GLY HA3 H 41 4.216 4.042 0.174 1
1 391 . 13 1 1 A 41 41 GLY C C 41 171.037 173.258 -2.221 1
1 392 . 13 1 1 A 41 41 GLY CA C 41 44.269 44.150 0.119 1
1 393 . 13 1 1 A 41 41 GLY N N 41 107.997 106.594 1.403 1
1 394 . 13 1 1 A 42 42 PRO HA H 42 4.462 4.490 -0.028 1
1 401 . 13 1 1 A 42 42 PRO C C 42 176.451 176.392 0.059 1
1 402 . 13 1 1 A 42 42 PRO CA C 42 63.179 62.381 0.798 1
1 403 . 13 1 1 A 42 42 PRO CB C 42 32.144 33.063 -0.919 1
1 406 . 13 1 1 A 43 43 GLY H H 43 8.388 8.501 -0.113 1
1 407 . 13 1 1 A 43 43 GLY HA2 H 43 4.065 3.942 0.123 1
1 408 . 13 1 1 A 43 43 GLY HA3 H 43 3.808 3.949 -0.141 1
1 409 . 13 1 1 A 43 43 GLY CA C 43 45.278 46.757 -1.479 1
1 410 . 13 1 1 A 43 43 GLY N N 43 109.409 108.860 0.549 1
1 411 . 13 1 1 A 44 44 VAL H H 44 7.913 8.929 -1.016 1
1 412 . 13 1 1 A 44 44 VAL HA H 44 4.107 4.342 -0.235 1
1 420 . 13 1 1 A 44 44 VAL CA C 44 62.352 61.147 1.205 1
1 421 . 13 1 1 A 44 44 VAL CB C 44 32.777 32.054 0.723 1
1 424 . 13 1 1 A 44 44 VAL N N 44 117.689 126.065 -8.376 1
1 425 . 13 1 1 A 45 45 ASN HA H 45 4.713 4.932 -0.219 1
1 430 . 13 1 1 A 45 45 ASN CA C 45 53.201 52.604 0.597 1
1 431 . 13 1 1 A 45 45 ASN CB C 45 38.671 36.845 1.826 1
1 433 . 13 1 1 A 46 46 VAL H H 46 7.994 7.843 0.151 1
1 434 . 13 1 1 A 46 46 VAL HA H 46 4.148 4.692 -0.544 1
1 439 . 13 1 1 A 46 46 VAL C C 46 177.834 177.106 0.728 1
1 440 . 13 1 1 A 46 46 VAL CA C 46 62.726 59.706 3.020 1
1 441 . 13 1 1 A 46 46 VAL CB C 46 32.476 35.036 -2.560 1
1 443 . 13 1 1 A 46 46 VAL N N 46 118.432 122.898 -4.466 1
1 444 . 13 1 1 A 47 47 GLY HA2 H 47 3.702 3.791 -0.089 1
1 445 . 13 1 1 A 47 47 GLY HA3 H 47 4.104 3.819 0.285 1
1 446 . 13 1 1 A 47 47 GLY C C 47 173.950 174.604 -0.654 1
1 447 . 13 1 1 A 47 47 GLY CA C 47 45.202 47.404 -2.202 1
1 448 . 13 1 1 A 48 48 THR H H 48 8.238 8.100 0.138 1
1 449 . 13 1 1 A 48 48 THR HA H 48 4.066 4.273 -0.207 1
1 454 . 13 1 1 A 48 48 THR C C 48 175.919 173.768 2.151 1
1 455 . 13 1 1 A 48 48 THR CA C 48 67.178 61.113 6.065 1
1 456 . 13 1 1 A 48 48 THR CB C 48 68.681 67.733 0.948 1
1 458 . 13 1 1 A 48 48 THR N N 48 118.267 113.871 4.396 1
1 459 . 13 1 1 A 49 49 THR HA H 49 3.981 4.207 -0.226 1
1 464 . 13 1 1 A 49 49 THR CA C 49 62.689 64.473 -1.784 1
1 465 . 13 1 1 A 49 49 THR CB C 49 69.410 69.406 0.004 1
1 467 . 13 1 1 A 50 50 ALA HA H 50 4.091 3.920 0.171 1
1 471 . 13 1 1 A 50 50 ALA C C 50 180.456 179.569 0.887 1
1 472 . 13 1 1 A 50 50 ALA CA C 50 55.053 55.266 -0.213 1
1 473 . 13 1 1 A 50 50 ALA CB C 50 18.859 18.262 0.597 1
1 474 . 13 1 1 A 51 51 LEU H H 51 7.042 7.630 -0.588 1
1 475 . 13 1 1 A 51 51 LEU HA H 51 3.446 3.422 0.024 1
1 485 . 13 1 1 A 51 51 LEU C C 51 179.170 178.951 0.219 1
1 486 . 13 1 1 A 51 51 LEU CA C 51 57.395 57.417 -0.022 1
1 487 . 13 1 1 A 51 51 LEU CB C 51 39.050 41.702 -2.652 1
1 491 . 13 1 1 A 51 51 LEU N N 51 117.051 118.468 -1.417 1
1 492 . 13 1 1 A 52 52 TRP H H 52 7.992 8.127 -0.135 1
1 493 . 13 1 1 A 52 52 TRP HA H 52 4.412 4.287 0.125 1
1 502 . 13 1 1 A 52 52 TRP C C 52 178.636 178.931 -0.295 1
1 503 . 13 1 1 A 52 52 TRP CA C 52 60.762 60.203 0.559 1
1 504 . 13 1 1 A 52 52 TRP CB C 52 29.830 29.569 0.261 1
1 510 . 13 1 1 A 52 52 TRP N N 52 118.438 118.727 -0.289 1
1 512 . 13 1 1 A 53 53 LYS H H 53 8.239 7.653 0.586 1
1 513 . 13 1 1 A 53 53 LYS HA H 53 4.077 4.024 0.053 1
1 522 . 13 1 1 A 53 53 LYS C C 53 179.777 178.916 0.861 1
1 523 . 13 1 1 A 53 53 LYS CA C 53 59.864 59.343 0.521 1
1 524 . 13 1 1 A 53 53 LYS CB C 53 32.077 32.452 -0.375 1
1 528 . 13 1 1 A 53 53 LYS N N 53 118.342 119.217 -0.875 1
1 529 . 13 1 1 A 54 54 HIS H H 54 7.592 8.214 -0.622 1
1 530 . 13 1 1 A 54 54 HIS HA H 54 4.351 4.364 -0.013 1
1 535 . 13 1 1 A 54 54 HIS C C 54 176.499 177.065 -0.566 1
1 536 . 13 1 1 A 54 54 HIS CA C 54 60.409 59.373 1.036 1
1 537 . 13 1 1 A 54 54 HIS CB C 54 28.701 30.433 -1.732 1
1 540 . 13 1 1 A 54 54 HIS N N 54 117.948 120.037 -2.089 1
1 541 . 13 1 1 A 55 55 LEU H H 55 8.223 8.423 -0.200 1
1 542 . 13 1 1 A 55 55 LEU HA H 55 3.829 3.961 -0.132 1
1 552 . 13 1 1 A 55 55 LEU C C 55 178.587 178.372 0.215 1
1 553 . 13 1 1 A 55 55 LEU CA C 55 58.492 57.919 0.573 1
1 554 . 13 1 1 A 55 55 LEU CB C 55 42.293 41.427 0.866 1
1 558 . 13 1 1 A 55 55 LEU N N 55 118.224 119.175 -0.951 1
1 559 . 13 1 1 A 56 56 LYS H H 56 8.795 8.474 0.321 1
1 560 . 13 1 1 A 56 56 LYS HA H 56 3.823 4.262 -0.439 1
1 569 . 13 1 1 A 56 56 LYS C C 56 177.664 178.590 -0.926 1
1 570 . 13 1 1 A 56 56 LYS CA C 56 58.999 57.148 1.851 1
1 571 . 13 1 1 A 56 56 LYS CB C 56 32.395 32.475 -0.080 1
1 575 . 13 1 1 A 56 56 LYS N N 56 115.460 118.521 -3.061 1
1 576 . 13 1 1 A 57 57 SER H H 57 7.600 7.758 -0.158 1
1 577 . 13 1 1 A 57 57 SER HA H 57 4.353 4.280 0.073 1
1 580 . 13 1 1 A 57 57 SER C C 57 176.451 175.552 0.899 1
1 581 . 13 1 1 A 57 57 SER CA C 57 60.480 61.093 -0.613 1
1 582 . 13 1 1 A 57 57 SER CB C 57 63.879 63.258 0.621 1
1 583 . 13 1 1 A 57 57 SER N N 57 110.773 114.887 -4.114 1
1 584 . 13 1 1 A 58 58 MET H H 58 7.685 7.638 0.047 1
1 585 . 13 1 1 A 58 58 MET HA H 58 4.555 4.560 -0.005 1
1 593 . 13 1 1 A 58 58 MET C C 58 176.645 177.250 -0.605 1
1 594 . 13 1 1 A 58 58 MET CA C 58 55.158 55.499 -0.341 1
1 595 . 13 1 1 A 58 58 MET CB C 58 32.427 33.870 -1.443 1
1 598 . 13 1 1 A 58 58 MET N N 58 115.874 116.225 -0.351 1
1 599 . 13 1 1 A 59 59 HIS H H 59 7.685 7.908 -0.223 1
1 600 . 13 1 1 A 59 59 HIS HA H 59 5.357 4.654 0.703 1
1 605 . 13 1 1 A 59 59 HIS C C 59 175.140 175.640 -0.500 1
1 606 . 13 1 1 A 59 59 HIS CA C 59 53.114 55.760 -2.646 1
1 607 . 13 1 1 A 59 59 HIS CB C 59 29.080 29.221 -0.141 1
1 610 . 13 1 1 A 59 59 HIS N N 59 117.346 117.027 0.319 1
1 611 . 13 1 1 A 60 60 ARG H H 60 7.995 8.019 -0.024 1
1 612 . 13 1 1 A 60 60 ARG HA H 60 3.771 3.824 -0.053 1
1 619 . 13 1 1 A 60 60 ARG C C 60 178.684 178.694 -0.010 1
1 620 . 13 1 1 A 60 60 ARG CA C 60 60.646 59.528 1.118 1
1 621 . 13 1 1 A 60 60 ARG CB C 60 29.959 29.880 0.079 1
1 624 . 13 1 1 A 60 60 ARG N N 60 120.640 122.098 -1.458 1
1 625 . 13 1 1 A 61 61 GLU H H 61 8.929 8.056 0.873 1
1 626 . 13 1 1 A 61 61 GLU HA H 61 4.046 4.163 -0.117 1
1 631 . 13 1 1 A 61 61 GLU C C 61 179.024 179.354 -0.330 1
1 632 . 13 1 1 A 61 61 GLU CA C 61 59.775 58.911 0.864 1
1 633 . 13 1 1 A 61 61 GLU CB C 61 28.926 29.353 -0.427 1
1 635 . 13 1 1 A 61 61 GLU N N 61 117.239 118.634 -1.395 1
1 636 . 13 1 1 A 62 62 GLU H H 62 8.182 8.012 0.170 1
1 637 . 13 1 1 A 62 62 GLU HA H 62 4.078 4.053 0.025 1
1 642 . 13 1 1 A 62 62 GLU C C 62 179.242 178.973 0.269 1
1 643 . 13 1 1 A 62 62 GLU CA C 62 59.317 59.245 0.072 1
1 644 . 13 1 1 A 62 62 GLU CB C 62 28.864 29.530 -0.666 1
1 646 . 13 1 1 A 62 62 GLU N N 62 120.004 120.269 -0.265 1
1 647 . 13 1 1 A 63 63 LEU H H 63 7.849 8.260 -0.411 1
1 648 . 13 1 1 A 63 63 LEU HA H 63 4.158 4.019 0.139 1
1 658 . 13 1 1 A 63 63 LEU C C 63 179.679 178.604 1.075 1
1 659 . 13 1 1 A 63 63 LEU CA C 63 57.449 57.909 -0.460 1
1 660 . 13 1 1 A 63 63 LEU CB C 63 41.552 41.874 -0.322 1
1 664 . 13 1 1 A 63 63 LEU N N 63 119.191 120.552 -1.361 1
1 665 . 13 1 1 A 64 64 GLU H H 64 8.097 8.189 -0.092 1
1 666 . 13 1 1 A 64 64 GLU HA H 64 4.113 3.996 0.117 1
1 671 . 13 1 1 A 64 64 GLU C C 64 178.951 179.170 -0.219 1
1 672 . 13 1 1 A 64 64 GLU CA C 64 58.480 59.820 -1.340 1
1 673 . 13 1 1 A 64 64 GLU CB C 64 29.548 29.259 0.289 1
1 675 . 13 1 1 A 64 64 GLU N N 64 118.834 117.028 1.806 1
1 676 . 13 1 1 A 65 65 LYS H H 65 7.854 8.124 -0.270 1
1 677 . 13 1 1 A 65 65 LYS HA H 65 4.197 4.009 0.188 1
1 685 . 13 1 1 A 65 65 LYS C C 65 177.713 177.889 -0.176 1
1 686 . 13 1 1 A 65 65 LYS CA C 65 58.154 59.435 -1.281 1
1 687 . 13 1 1 A 65 65 LYS CB C 65 32.614 32.260 0.354 1
1 691 . 13 1 1 A 65 65 LYS N N 65 119.350 120.729 -1.379 1
1 692 . 13 1 1 A 66 66 SER H H 66 7.816 7.860 -0.044 1
1 693 . 13 1 1 A 66 66 SER HA H 66 4.457 4.587 -0.130 1
1 696 . 13 1 1 A 66 66 SER C C 66 174.751 175.308 -0.557 1
1 697 . 13 1 1 A 66 66 SER CA C 66 58.864 58.228 0.636 1
1 698 . 13 1 1 A 66 66 SER CB C 66 64.180 64.630 -0.450 1
1 699 . 13 1 1 A 66 66 SER N N 66 113.693 114.209 -0.516 1
1 700 . 13 1 1 A 67 67 GLY H H 67 7.959 8.333 -0.374 1
1 701 . 13 1 1 A 67 67 GLY HA2 H 67 4.036 3.695 0.341 1
1 702 . 13 1 1 A 67 67 GLY HA3 H 67 3.924 3.765 0.159 1
1 703 . 13 1 1 A 67 67 GLY C C 67 174.775 174.402 0.373 1
1 704 . 13 1 1 A 67 67 GLY CA C 67 45.678 46.631 -0.953 1
1 705 . 13 1 1 A 67 67 GLY N N 67 108.980 111.023 -2.043 1
1 706 . 13 1 1 A 68 68 HIS H H 68 8.148 7.773 0.375 1
1 707 . 13 1 1 A 68 68 HIS HA H 68 4.861 5.014 -0.153 1
1 712 . 13 1 1 A 68 68 HIS C C 68 176.159 176.420 -0.261 1
1 713 . 13 1 1 A 68 68 HIS CA C 68 56.004 55.440 0.564 1
1 714 . 13 1 1 A 68 68 HIS CB C 68 31.585 29.933 1.652 1
1 717 . 13 1 1 A 68 68 HIS N N 68 119.127 117.964 1.163 1
1 718 . 13 1 1 A 69 69 GLY H H 69 8.610 8.512 0.098 1
1 719 . 13 1 1 A 69 69 GLY HA2 H 69 3.903 3.802 0.101 1
1 720 . 13 1 1 A 69 69 GLY HA3 H 69 3.903 3.823 0.080 1
1 721 . 13 1 1 A 69 69 GLY C C 69 174.290 174.143 0.147 1
1 722 . 13 1 1 A 69 69 GLY CA C 69 45.890 47.497 -1.607 1
1 723 . 13 1 1 A 69 69 GLY N N 69 109.663 108.894 0.769 1
1 724 . 13 1 1 A 70 70 GLN H H 70 8.325 7.724 0.601 1
1 725 . 13 1 1 A 70 70 GLN HA H 70 4.396 4.851 -0.455 1
1 732 . 13 1 1 A 70 70 GLN C C 70 176.208 174.581 1.627 1
1 733 . 13 1 1 A 70 70 GLN CA C 70 55.616 54.050 1.566 1
1 734 . 13 1 1 A 70 70 GLN CB C 70 29.441 31.366 -1.925 1
1 736 . 13 1 1 A 70 70 GLN N N 70 119.031 113.640 5.391 1
1 738 . 13 1 1 A 71 71 SER HA H 71 4.466 4.575 -0.109 1
1 741 . 13 1 1 A 71 71 SER C C 71 174.096 173.093 1.003 1
1 742 . 13 1 1 A 71 71 SER CA C 71 58.506 56.876 1.630 1
1 743 . 13 1 1 A 71 71 SER CB C 71 64.126 63.191 0.935 1
1 744 . 13 1 1 A 72 72 GLY H H 72 8.136 7.148 0.988 1
1 745 . 13 1 1 A 72 72 GLY HA2 H 72 3.776 3.968 -0.192 1
1 746 . 13 1 1 A 72 72 GLY HA3 H 72 3.703 3.995 -0.292 1
1 747 . 13 1 1 A 72 72 GLY C C 72 171.644 172.005 -0.361 1
1 748 . 13 1 1 A 72 72 GLY CA C 72 44.304 45.508 -1.204 1
1 749 . 13 1 1 A 72 72 GLY N N 72 110.082 109.395 0.687 1
1 750 . 13 1 1 A 73 73 PRO HA H 73 4.408 4.706 -0.298 1
1 757 . 13 1 1 A 73 73 PRO C C 73 175.067 175.400 -0.333 1
1 758 . 13 1 1 A 73 73 PRO CA C 73 63.151 62.642 0.509 1
1 759 . 13 1 1 A 73 73 PRO CB C 73 32.225 31.321 0.904 1
1 763 . 13 1 1 A 74 74 SER CA C 74 58.647 57.811 0.836 1
1 1 . 14 1 1 A 7 7 GLY HA2 H 7 4.246 4.282 -0.036 1
1 2 . 14 1 1 A 7 7 GLY HA3 H 7 4.111 4.299 -0.188 1
1 3 . 14 1 1 A 7 7 GLY CA C 7 46.145 45.806 0.339 1
1 4 . 14 1 1 A 8 8 SER HA H 8 4.472 4.786 -0.314 1
1 7 . 14 1 1 A 8 8 SER C C 8 175.844 174.318 1.526 1
1 8 . 14 1 1 A 8 8 SER CA C 8 60.307 58.496 1.811 1
1 9 . 14 1 1 A 8 8 SER CB C 8 63.621 63.038 0.583 1
1 10 . 14 1 1 A 9 9 GLU H H 9 9.766 8.328 1.438 1
1 11 . 14 1 1 A 9 9 GLU HA H 9 4.354 4.240 0.114 1
1 16 . 14 1 1 A 9 9 GLU C C 9 177.495 178.939 -1.444 1
1 17 . 14 1 1 A 9 9 GLU CA C 9 58.823 59.117 -0.294 1
1 18 . 14 1 1 A 9 9 GLU CB C 9 29.080 30.240 -1.160 1
1 20 . 14 1 1 A 9 9 GLU N N 9 124.626 122.523 2.103 1
1 21 . 14 1 1 A 10 10 ALA H H 10 7.788 7.907 -0.119 1
1 22 . 14 1 1 A 10 10 ALA HA H 10 3.387 3.778 -0.391 1
1 26 . 14 1 1 A 10 10 ALA C C 10 179.145 179.564 -0.419 1
1 27 . 14 1 1 A 10 10 ALA CA C 10 54.588 54.561 0.027 1
1 28 . 14 1 1 A 10 10 ALA CB C 10 17.451 17.132 0.319 1
1 29 . 14 1 1 A 10 10 ALA N N 10 120.412 121.847 -1.435 1
1 30 . 14 1 1 A 11 11 TRP H H 11 7.481 8.066 -0.585 1
1 31 . 14 1 1 A 11 11 TRP HA H 11 4.440 4.640 -0.200 1
1 40 . 14 1 1 A 11 11 TRP C C 11 177.373 179.104 -1.731 1
1 41 . 14 1 1 A 11 11 TRP CA C 11 59.460 59.886 -0.426 1
1 42 . 14 1 1 A 11 11 TRP CB C 11 29.033 29.168 -0.135 1
1 48 . 14 1 1 A 11 11 TRP N N 11 113.286 118.029 -4.743 1
1 50 . 14 1 1 A 12 12 GLU H H 12 7.771 9.154 -1.383 1
1 51 . 14 1 1 A 12 12 GLU HA H 12 4.100 4.041 0.059 1
1 56 . 14 1 1 A 12 12 GLU C C 12 177.543 177.036 0.507 1
1 57 . 14 1 1 A 12 12 GLU CA C 12 58.195 59.211 -1.016 1
1 58 . 14 1 1 A 12 12 GLU CB C 12 29.265 29.045 0.220 1
1 60 . 14 1 1 A 12 12 GLU N N 12 117.805 118.912 -1.107 1
1 61 . 14 1 1 A 13 13 TYR H H 13 7.748 8.226 -0.478 1
1 62 . 14 1 1 A 13 13 TYR HA H 13 4.181 4.503 -0.322 1
1 69 . 14 1 1 A 13 13 TYR C C 13 172.809 174.824 -2.015 1
1 70 . 14 1 1 A 13 13 TYR CA C 13 58.524 57.648 0.876 1
1 71 . 14 1 1 A 13 13 TYR CB C 13 40.503 38.272 2.231 1
1 76 . 14 1 1 A 13 13 TYR N N 13 114.665 115.821 -1.156 1
1 77 . 14 1 1 A 14 14 PHE H H 14 7.590 8.146 -0.556 1
1 78 . 14 1 1 A 14 14 PHE HA H 14 5.336 5.560 -0.224 1
1 86 . 14 1 1 A 14 14 PHE C C 14 174.508 174.715 -0.207 1
1 87 . 14 1 1 A 14 14 PHE CA C 14 56.895 56.645 0.250 1
1 88 . 14 1 1 A 14 14 PHE CB C 14 45.117 43.433 1.684 1
1 94 . 14 1 1 A 14 14 PHE N N 14 115.479 118.120 -2.641 1
1 95 . 14 1 1 A 15 15 HIS H H 15 9.046 9.367 -0.321 1
1 96 . 14 1 1 A 15 15 HIS HA H 15 5.111 5.592 -0.481 1
1 101 . 14 1 1 A 15 15 HIS C C 15 175.455 173.277 2.178 1
1 102 . 14 1 1 A 15 15 HIS CA C 15 54.841 53.966 0.875 1
1 103 . 14 1 1 A 15 15 HIS CB C 15 33.210 32.858 0.352 1
1 106 . 14 1 1 A 15 15 HIS N N 15 118.065 117.821 0.244 1
1 107 . 14 1 1 A 16 16 LEU H H 16 8.899 8.988 -0.089 1
1 108 . 14 1 1 A 16 16 LEU HA H 16 4.624 4.234 0.390 1
1 118 . 14 1 1 A 16 16 LEU C C 16 176.256 177.207 -0.951 1
1 119 . 14 1 1 A 16 16 LEU CA C 16 54.947 55.117 -0.170 1
1 120 . 14 1 1 A 16 16 LEU CB C 16 42.540 42.156 0.384 1
1 124 . 14 1 1 A 16 16 LEU N N 16 125.895 124.819 1.076 1
1 125 . 14 1 1 A 17 17 ALA H H 17 8.412 8.723 -0.311 1
1 126 . 14 1 1 A 17 17 ALA HA H 17 4.574 5.066 -0.492 1
1 130 . 14 1 1 A 17 17 ALA C C 17 175.188 175.452 -0.264 1
1 131 . 14 1 1 A 17 17 ALA CA C 17 50.400 49.960 0.440 1
1 132 . 14 1 1 A 17 17 ALA CB C 17 18.205 19.811 -1.606 1
1 133 . 14 1 1 A 17 17 ALA N N 17 128.151 127.049 1.102 1
1 134 . 14 1 1 A 18 18 PRO HA H 18 4.373 4.539 -0.166 1
1 141 . 14 1 1 A 18 18 PRO C C 18 176.621 176.526 0.095 1
1 142 . 14 1 1 A 18 18 PRO CA C 18 62.911 62.476 0.435 1
1 143 . 14 1 1 A 18 18 PRO CB C 18 32.105 32.255 -0.150 1
1 146 . 14 1 1 A 19 19 ALA H H 19 8.434 8.514 -0.080 1
1 147 . 14 1 1 A 19 19 ALA HA H 19 4.300 4.227 0.073 1
1 151 . 14 1 1 A 19 19 ALA C C 19 177.834 176.840 0.994 1
1 152 . 14 1 1 A 19 19 ALA CA C 19 52.515 51.643 0.872 1
1 153 . 14 1 1 A 19 19 ALA CB C 19 19.359 18.255 1.104 1
1 154 . 14 1 1 A 19 19 ALA N N 19 125.267 125.291 -0.024 1
1 155 . 14 1 1 A 20 20 ARG H H 20 8.450 8.041 0.409 1
1 156 . 14 1 1 A 20 20 ARG HA H 20 4.366 4.499 -0.133 1
1 163 . 14 1 1 A 20 20 ARG C C 20 175.795 178.217 -2.422 1
1 164 . 14 1 1 A 20 20 ARG CA C 20 55.405 57.004 -1.599 1
1 165 . 14 1 1 A 20 20 ARG CB C 20 31.685 31.267 0.418 1
1 168 . 14 1 1 A 20 20 ARG N N 20 121.353 124.159 -2.806 1
1 169 . 14 1 1 A 21 21 ALA HA H 21 4.229 4.092 0.137 1
1 173 . 14 1 1 A 21 21 ALA CA C 21 53.263 55.087 -1.824 1
1 174 . 14 1 1 A 21 21 ALA CB C 21 18.577 19.053 -0.476 1
1 175 . 14 1 1 A 22 22 GLY C C 22 175.407 174.527 0.880 1
1 176 . 14 1 1 A 23 23 HIS HA H 23 4.768 4.539 0.229 1
1 181 . 14 1 1 A 23 23 HIS C C 23 178.611 175.331 3.280 1
1 182 . 14 1 1 A 23 23 HIS CA C 23 55.004 56.595 -1.591 1
1 183 . 14 1 1 A 23 23 HIS CB C 23 30.750 30.551 0.199 1
1 186 . 14 1 1 A 24 24 HIS HA H 24 4.673 4.674 -0.001 1
1 191 . 14 1 1 A 24 24 HIS C C 24 179.801 174.899 4.902 1
1 192 . 14 1 1 A 24 24 HIS CA C 24 55.610 55.076 0.534 1
1 193 . 14 1 1 A 24 24 HIS CB C 24 31.802 30.130 1.672 1
1 196 . 14 1 1 A 25 25 PRO HA H 25 4.429 4.258 0.171 1
1 203 . 14 1 1 A 25 25 PRO C C 25 176.888 176.227 0.661 1
1 204 . 14 1 1 A 25 25 PRO CA C 25 63.902 62.418 1.484 1
1 205 . 14 1 1 A 25 25 PRO CB C 25 32.124 32.533 -0.409 1
1 208 . 14 1 1 A 26 26 ASN H H 26 9.047 8.828 0.219 1
1 209 . 14 1 1 A 26 26 ASN HA H 26 4.788 4.337 0.451 1
1 214 . 14 1 1 A 26 26 ASN C C 26 175.140 175.224 -0.084 1
1 215 . 14 1 1 A 26 26 ASN CA C 26 53.185 54.182 -0.997 1
1 216 . 14 1 1 A 26 26 ASN CB C 26 38.696 37.182 1.514 1
1 217 . 14 1 1 A 26 26 ASN N N 26 118.042 114.460 3.582 1
1 219 . 14 1 1 A 27 27 GLN H H 27 8.231 8.358 -0.127 1
1 220 . 14 1 1 A 27 27 GLN HA H 27 4.226 4.494 -0.268 1
1 227 . 14 1 1 A 27 27 GLN C C 27 175.212 175.088 0.124 1
1 228 . 14 1 1 A 27 27 GLN CA C 27 57.149 56.335 0.814 1
1 229 . 14 1 1 A 27 27 GLN CB C 27 29.741 30.405 -0.664 1
1 231 . 14 1 1 A 27 27 GLN N N 27 119.679 115.043 4.636 1
1 233 . 14 1 1 A 28 28 TYR H H 28 8.059 7.846 0.213 1
1 234 . 14 1 1 A 28 28 TYR HA H 28 5.109 5.263 -0.154 1
1 241 . 14 1 1 A 28 28 TYR C C 28 174.290 174.342 -0.052 1
1 242 . 14 1 1 A 28 28 TYR CA C 28 56.779 56.896 -0.117 1
1 243 . 14 1 1 A 28 28 TYR CB C 28 41.333 42.282 -0.949 1
1 248 . 14 1 1 A 28 28 TYR N N 28 116.269 117.863 -1.594 1
1 249 . 14 1 1 A 29 29 ALA H H 29 8.837 8.868 -0.031 1
1 250 . 14 1 1 A 29 29 ALA HA H 29 5.054 5.262 -0.208 1
1 254 . 14 1 1 A 29 29 ALA C C 29 175.795 175.708 0.087 1
1 255 . 14 1 1 A 29 29 ALA CA C 29 50.612 50.189 0.423 1
1 256 . 14 1 1 A 29 29 ALA CB C 29 23.046 21.396 1.650 1
1 257 . 14 1 1 A 29 29 ALA N N 29 123.222 124.421 -1.199 1
1 258 . 14 1 1 A 30 30 THR H H 30 9.217 9.044 0.173 1
1 259 . 14 1 1 A 30 30 THR HA H 30 4.828 4.590 0.238 1
1 264 . 14 1 1 A 30 30 THR C C 30 173.659 174.082 -0.423 1
1 265 . 14 1 1 A 30 30 THR CA C 30 62.383 62.280 0.103 1
1 266 . 14 1 1 A 30 30 THR CB C 30 70.058 69.025 1.033 1
1 268 . 14 1 1 A 30 30 THR N N 30 119.265 118.300 0.965 1
1 269 . 14 1 1 A 31 31 CYS H H 31 8.927 8.954 -0.027 1
1 270 . 14 1 1 A 31 31 CYS HA H 31 3.606 4.275 -0.669 1
1 273 . 14 1 1 A 31 31 CYS C C 31 177.956 175.407 2.549 1
1 274 . 14 1 1 A 31 31 CYS CA C 31 59.743 59.754 -0.011 1
1 275 . 14 1 1 A 31 31 CYS CB C 31 29.971 28.328 1.643 1
1 276 . 14 1 1 A 31 31 CYS N N 31 130.893 126.512 4.381 1
1 277 . 14 1 1 A 32 32 ARG H H 32 9.393 9.079 0.314 1
1 278 . 14 1 1 A 32 32 ARG HA H 32 4.043 4.277 -0.234 1
1 285 . 14 1 1 A 32 32 ARG C C 32 176.693 177.266 -0.573 1
1 286 . 14 1 1 A 32 32 ARG CA C 32 58.471 57.109 1.362 1
1 287 . 14 1 1 A 32 32 ARG CB C 32 30.553 30.286 0.267 1
1 290 . 14 1 1 A 32 32 ARG N N 32 130.594 127.789 2.805 1
1 291 . 14 1 1 A 33 33 LEU H H 33 9.135 7.649 1.486 1
1 292 . 14 1 1 A 33 33 LEU HA H 33 4.243 4.074 0.169 1
1 302 . 14 1 1 A 33 33 LEU C C 33 178.150 178.405 -0.255 1
1 303 . 14 1 1 A 33 33 LEU CA C 33 56.709 57.340 -0.631 1
1 304 . 14 1 1 A 33 33 LEU CB C 33 41.387 42.398 -1.011 1
1 308 . 14 1 1 A 33 33 LEU N N 33 121.037 118.062 2.975 1
1 309 . 14 1 1 A 34 34 CYS H H 34 8.186 8.028 0.158 1
1 310 . 14 1 1 A 34 34 CYS HA H 34 5.200 4.646 0.554 1
1 313 . 14 1 1 A 34 34 CYS C C 34 176.329 175.428 0.901 1
1 314 . 14 1 1 A 34 34 CYS CA C 34 58.365 59.626 -1.261 1
1 315 . 14 1 1 A 34 34 CYS CB C 34 32.799 29.690 3.109 1
1 316 . 14 1 1 A 34 34 CYS N N 34 115.308 112.967 2.341 1
1 317 . 14 1 1 A 35 35 GLY H H 35 8.027 8.210 -0.183 1
1 318 . 14 1 1 A 35 35 GLY HA2 H 35 3.808 4.032 -0.224 1
1 319 . 14 1 1 A 35 35 GLY HA3 H 35 4.196 4.043 0.153 1
1 320 . 14 1 1 A 35 35 GLY C C 35 173.683 174.102 -0.419 1
1 321 . 14 1 1 A 35 35 GLY CA C 35 46.313 45.369 0.944 1
1 322 . 14 1 1 A 35 35 GLY N N 35 113.546 110.455 3.091 1
1 323 . 14 1 1 A 36 36 ARG H H 36 8.272 7.253 1.019 1
1 324 . 14 1 1 A 36 36 ARG HA H 36 4.273 4.668 -0.395 1
1 331 . 14 1 1 A 36 36 ARG C C 36 175.625 175.738 -0.113 1
1 332 . 14 1 1 A 36 36 ARG CA C 36 56.774 54.451 2.323 1
1 333 . 14 1 1 A 36 36 ARG CB C 36 31.112 32.264 -1.152 1
1 336 . 14 1 1 A 36 36 ARG N N 36 121.138 119.332 1.806 1
1 337 . 14 1 1 A 37 37 GLN H H 37 8.509 8.551 -0.042 1
1 338 . 14 1 1 A 37 37 GLN HA H 37 4.888 5.166 -0.278 1
1 345 . 14 1 1 A 37 37 GLN C C 37 176.184 175.149 1.035 1
1 346 . 14 1 1 A 37 37 GLN CA C 37 55.475 55.879 -0.404 1
1 347 . 14 1 1 A 37 37 GLN CB C 37 29.426 29.417 0.009 1
1 349 . 14 1 1 A 37 37 GLN N N 37 120.322 121.597 -1.275 1
1 351 . 14 1 1 A 38 38 VAL H H 38 9.281 9.235 0.046 1
1 352 . 14 1 1 A 38 38 VAL HA H 38 4.216 4.405 -0.189 1
1 360 . 14 1 1 A 38 38 VAL C C 38 174.848 175.371 -0.523 1
1 361 . 14 1 1 A 38 38 VAL CA C 38 61.243 61.714 -0.471 1
1 362 . 14 1 1 A 38 38 VAL CB C 38 34.146 33.575 0.571 1
1 365 . 14 1 1 A 38 38 VAL N N 38 125.546 124.826 0.720 1
1 366 . 14 1 1 A 39 39 SER H H 39 8.590 8.766 -0.176 1
1 367 . 14 1 1 A 39 39 SER HA H 39 4.348 4.222 0.126 1
1 370 . 14 1 1 A 39 39 SER C C 39 174.800 175.321 -0.521 1
1 371 . 14 1 1 A 39 39 SER CA C 39 57.731 57.444 0.287 1
1 372 . 14 1 1 A 39 39 SER CB C 39 64.121 63.800 0.321 1
1 373 . 14 1 1 A 39 39 SER N N 39 120.236 123.106 -2.870 1
1 374 . 14 1 1 A 40 40 ARG H H 40 8.684 8.762 -0.078 1
1 375 . 14 1 1 A 40 40 ARG HA H 40 4.189 3.932 0.257 1
1 382 . 14 1 1 A 40 40 ARG C C 40 176.062 176.749 -0.687 1
1 383 . 14 1 1 A 40 40 ARG CA C 40 56.674 57.613 -0.939 1
1 384 . 14 1 1 A 40 40 ARG CB C 40 31.302 30.794 0.508 1
1 387 . 14 1 1 A 40 40 ARG N N 40 123.390 124.427 -1.037 1
1 388 . 14 1 1 A 41 41 GLY H H 41 7.970 7.445 0.525 1
1 389 . 14 1 1 A 41 41 GLY HA2 H 41 3.920 4.053 -0.133 1
1 390 . 14 1 1 A 41 41 GLY HA3 H 41 4.216 4.069 0.147 1
1 391 . 14 1 1 A 41 41 GLY C C 41 171.037 173.852 -2.815 1
1 392 . 14 1 1 A 41 41 GLY CA C 41 44.269 44.243 0.026 1
1 393 . 14 1 1 A 41 41 GLY N N 41 107.997 104.772 3.225 1
1 394 . 14 1 1 A 42 42 PRO HA H 42 4.462 4.420 0.042 1
1 401 . 14 1 1 A 42 42 PRO C C 42 176.451 177.384 -0.933 1
1 402 . 14 1 1 A 42 42 PRO CA C 42 63.179 65.084 -1.905 1
1 403 . 14 1 1 A 42 42 PRO CB C 42 32.144 32.147 -0.003 1
1 406 . 14 1 1 A 43 43 GLY H H 43 8.388 8.114 0.274 1
1 407 . 14 1 1 A 43 43 GLY HA2 H 43 4.065 4.078 -0.013 1
1 408 . 14 1 1 A 43 43 GLY HA3 H 43 3.808 4.078 -0.270 1
1 409 . 14 1 1 A 43 43 GLY CA C 43 45.278 45.721 -0.443 1
1 410 . 14 1 1 A 43 43 GLY N N 43 109.409 105.638 3.771 1
1 411 . 14 1 1 A 44 44 VAL H H 44 7.913 7.852 0.061 1
1 412 . 14 1 1 A 44 44 VAL HA H 44 4.107 4.009 0.098 1
1 420 . 14 1 1 A 44 44 VAL CA C 44 62.352 62.419 -0.067 1
1 421 . 14 1 1 A 44 44 VAL CB C 44 32.777 32.813 -0.036 1
1 424 . 14 1 1 A 44 44 VAL N N 44 117.689 122.089 -4.400 1
1 425 . 14 1 1 A 45 45 ASN HA H 45 4.713 4.755 -0.042 1
1 430 . 14 1 1 A 45 45 ASN CA C 45 53.201 53.798 -0.597 1
1 431 . 14 1 1 A 45 45 ASN CB C 45 38.671 38.917 -0.246 1
1 433 . 14 1 1 A 46 46 VAL H H 46 7.994 8.628 -0.634 1
1 434 . 14 1 1 A 46 46 VAL HA H 46 4.148 3.637 0.511 1
1 439 . 14 1 1 A 46 46 VAL C C 46 177.834 177.630 0.204 1
1 440 . 14 1 1 A 46 46 VAL CA C 46 62.726 66.295 -3.569 1
1 441 . 14 1 1 A 46 46 VAL CB C 46 32.476 31.862 0.614 1
1 443 . 14 1 1 A 46 46 VAL N N 46 118.432 123.709 -5.277 1
1 444 . 14 1 1 A 47 47 GLY HA2 H 47 3.702 3.754 -0.052 1
1 445 . 14 1 1 A 47 47 GLY HA3 H 47 4.104 3.767 0.337 1
1 446 . 14 1 1 A 47 47 GLY C C 47 173.950 175.518 -1.568 1
1 447 . 14 1 1 A 47 47 GLY CA C 47 45.202 47.418 -2.216 1
1 448 . 14 1 1 A 48 48 THR H H 48 8.238 8.134 0.104 1
1 449 . 14 1 1 A 48 48 THR HA H 48 4.066 4.320 -0.254 1
1 454 . 14 1 1 A 48 48 THR C C 48 175.919 173.937 1.982 1
1 455 . 14 1 1 A 48 48 THR CA C 48 67.178 61.336 5.842 1
1 456 . 14 1 1 A 48 48 THR CB C 48 68.681 67.481 1.200 1
1 458 . 14 1 1 A 48 48 THR N N 48 118.267 114.013 4.254 1
1 459 . 14 1 1 A 49 49 THR HA H 49 3.981 4.163 -0.182 1
1 464 . 14 1 1 A 49 49 THR CA C 49 62.689 64.550 -1.861 1
1 465 . 14 1 1 A 49 49 THR CB C 49 69.410 69.584 -0.174 1
1 467 . 14 1 1 A 50 50 ALA HA H 50 4.091 3.926 0.165 1
1 471 . 14 1 1 A 50 50 ALA C C 50 180.456 179.456 1.000 1
1 472 . 14 1 1 A 50 50 ALA CA C 50 55.053 55.523 -0.470 1
1 473 . 14 1 1 A 50 50 ALA CB C 50 18.859 18.317 0.542 1
1 474 . 14 1 1 A 51 51 LEU H H 51 7.042 7.702 -0.660 1
1 475 . 14 1 1 A 51 51 LEU HA H 51 3.446 3.210 0.236 1
1 485 . 14 1 1 A 51 51 LEU C C 51 179.170 179.031 0.139 1
1 486 . 14 1 1 A 51 51 LEU CA C 51 57.395 57.542 -0.147 1
1 487 . 14 1 1 A 51 51 LEU CB C 51 39.050 41.352 -2.302 1
1 491 . 14 1 1 A 51 51 LEU N N 51 117.051 117.818 -0.767 1
1 492 . 14 1 1 A 52 52 TRP H H 52 7.992 8.203 -0.211 1
1 493 . 14 1 1 A 52 52 TRP HA H 52 4.412 4.287 0.125 1
1 502 . 14 1 1 A 52 52 TRP C C 52 178.636 178.911 -0.275 1
1 503 . 14 1 1 A 52 52 TRP CA C 52 60.762 60.133 0.629 1
1 504 . 14 1 1 A 52 52 TRP CB C 52 29.830 29.436 0.394 1
1 510 . 14 1 1 A 52 52 TRP N N 52 118.438 118.706 -0.268 1
1 512 . 14 1 1 A 53 53 LYS H H 53 8.239 7.683 0.556 1
1 513 . 14 1 1 A 53 53 LYS HA H 53 4.077 4.018 0.059 1
1 522 . 14 1 1 A 53 53 LYS C C 53 179.777 178.988 0.789 1
1 523 . 14 1 1 A 53 53 LYS CA C 53 59.864 59.341 0.523 1
1 524 . 14 1 1 A 53 53 LYS CB C 53 32.077 32.442 -0.365 1
1 528 . 14 1 1 A 53 53 LYS N N 53 118.342 119.232 -0.890 1
1 529 . 14 1 1 A 54 54 HIS H H 54 7.592 7.935 -0.343 1
1 530 . 14 1 1 A 54 54 HIS HA H 54 4.351 4.323 0.028 1
1 535 . 14 1 1 A 54 54 HIS C C 54 176.499 177.005 -0.506 1
1 536 . 14 1 1 A 54 54 HIS CA C 54 60.409 59.317 1.092 1
1 537 . 14 1 1 A 54 54 HIS CB C 54 28.701 30.173 -1.472 1
1 540 . 14 1 1 A 54 54 HIS N N 54 117.948 120.099 -2.151 1
1 541 . 14 1 1 A 55 55 LEU H H 55 8.223 8.463 -0.240 1
1 542 . 14 1 1 A 55 55 LEU HA H 55 3.829 4.003 -0.174 1
1 552 . 14 1 1 A 55 55 LEU C C 55 178.587 178.348 0.239 1
1 553 . 14 1 1 A 55 55 LEU CA C 55 58.492 57.871 0.621 1
1 554 . 14 1 1 A 55 55 LEU CB C 55 42.293 41.347 0.946 1
1 558 . 14 1 1 A 55 55 LEU N N 55 118.224 119.404 -1.180 1
1 559 . 14 1 1 A 56 56 LYS H H 56 8.795 8.456 0.339 1
1 560 . 14 1 1 A 56 56 LYS HA H 56 3.823 4.259 -0.436 1
1 569 . 14 1 1 A 56 56 LYS C C 56 177.664 178.533 -0.869 1
1 570 . 14 1 1 A 56 56 LYS CA C 56 58.999 56.994 2.005 1
1 571 . 14 1 1 A 56 56 LYS CB C 56 32.395 32.421 -0.026 1
1 575 . 14 1 1 A 56 56 LYS N N 56 115.460 118.574 -3.114 1
1 576 . 14 1 1 A 57 57 SER H H 57 7.600 7.646 -0.046 1
1 577 . 14 1 1 A 57 57 SER HA H 57 4.353 4.298 0.055 1
1 580 . 14 1 1 A 57 57 SER C C 57 176.451 175.654 0.797 1
1 581 . 14 1 1 A 57 57 SER CA C 57 60.480 61.195 -0.715 1
1 582 . 14 1 1 A 57 57 SER CB C 57 63.879 63.260 0.619 1
1 583 . 14 1 1 A 57 57 SER N N 57 110.773 114.884 -4.111 1
1 584 . 14 1 1 A 58 58 MET H H 58 7.685 7.561 0.124 1
1 585 . 14 1 1 A 58 58 MET HA H 58 4.555 4.522 0.033 1
1 593 . 14 1 1 A 58 58 MET C C 58 176.645 177.236 -0.591 1
1 594 . 14 1 1 A 58 58 MET CA C 58 55.158 55.548 -0.390 1
1 595 . 14 1 1 A 58 58 MET CB C 58 32.427 33.890 -1.463 1
1 598 . 14 1 1 A 58 58 MET N N 58 115.874 116.364 -0.490 1
1 599 . 14 1 1 A 59 59 HIS H H 59 7.685 7.762 -0.077 1
1 600 . 14 1 1 A 59 59 HIS HA H 59 5.357 4.676 0.681 1
1 605 . 14 1 1 A 59 59 HIS C C 59 175.140 175.581 -0.441 1
1 606 . 14 1 1 A 59 59 HIS CA C 59 53.114 55.822 -2.708 1
1 607 . 14 1 1 A 59 59 HIS CB C 59 29.080 29.206 -0.126 1
1 610 . 14 1 1 A 59 59 HIS N N 59 117.346 116.865 0.481 1
1 611 . 14 1 1 A 60 60 ARG H H 60 7.995 7.972 0.023 1
1 612 . 14 1 1 A 60 60 ARG HA H 60 3.771 3.855 -0.084 1
1 619 . 14 1 1 A 60 60 ARG C C 60 178.684 178.396 0.288 1
1 620 . 14 1 1 A 60 60 ARG CA C 60 60.646 59.464 1.182 1
1 621 . 14 1 1 A 60 60 ARG CB C 60 29.959 29.969 -0.010 1
1 624 . 14 1 1 A 60 60 ARG N N 60 120.640 121.933 -1.293 1
1 625 . 14 1 1 A 61 61 GLU H H 61 8.929 8.016 0.913 1
1 626 . 14 1 1 A 61 61 GLU HA H 61 4.046 4.158 -0.112 1
1 631 . 14 1 1 A 61 61 GLU C C 61 179.024 179.358 -0.334 1
1 632 . 14 1 1 A 61 61 GLU CA C 61 59.775 59.230 0.545 1
1 633 . 14 1 1 A 61 61 GLU CB C 61 28.926 29.552 -0.626 1
1 635 . 14 1 1 A 61 61 GLU N N 61 117.239 119.370 -2.131 1
1 636 . 14 1 1 A 62 62 GLU H H 62 8.182 8.044 0.138 1
1 637 . 14 1 1 A 62 62 GLU HA H 62 4.078 4.056 0.022 1
1 642 . 14 1 1 A 62 62 GLU C C 62 179.242 179.408 -0.166 1
1 643 . 14 1 1 A 62 62 GLU CA C 62 59.317 59.205 0.112 1
1 644 . 14 1 1 A 62 62 GLU CB C 62 28.864 29.518 -0.654 1
1 646 . 14 1 1 A 62 62 GLU N N 62 120.004 120.094 -0.090 1
1 647 . 14 1 1 A 63 63 LEU H H 63 7.849 8.414 -0.565 1
1 648 . 14 1 1 A 63 63 LEU HA H 63 4.158 4.000 0.158 1
1 658 . 14 1 1 A 63 63 LEU C C 63 179.679 178.929 0.750 1
1 659 . 14 1 1 A 63 63 LEU CA C 63 57.449 57.948 -0.499 1
1 660 . 14 1 1 A 63 63 LEU CB C 63 41.552 41.979 -0.427 1
1 664 . 14 1 1 A 63 63 LEU N N 63 119.191 120.176 -0.985 1
1 665 . 14 1 1 A 64 64 GLU H H 64 8.097 8.015 0.082 1
1 666 . 14 1 1 A 64 64 GLU HA H 64 4.113 3.989 0.124 1
1 671 . 14 1 1 A 64 64 GLU C C 64 178.951 179.257 -0.306 1
1 672 . 14 1 1 A 64 64 GLU CA C 64 58.480 59.779 -1.299 1
1 673 . 14 1 1 A 64 64 GLU CB C 64 29.548 29.304 0.244 1
1 675 . 14 1 1 A 64 64 GLU N N 64 118.834 117.216 1.618 1
1 676 . 14 1 1 A 65 65 LYS H H 65 7.854 7.803 0.051 1
1 677 . 14 1 1 A 65 65 LYS HA H 65 4.197 4.114 0.083 1
1 685 . 14 1 1 A 65 65 LYS C C 65 177.713 178.230 -0.517 1
1 686 . 14 1 1 A 65 65 LYS CA C 65 58.154 59.227 -1.073 1
1 687 . 14 1 1 A 65 65 LYS CB C 65 32.614 32.068 0.546 1
1 691 . 14 1 1 A 65 65 LYS N N 65 119.350 121.186 -1.836 1
1 692 . 14 1 1 A 66 66 SER H H 66 7.816 7.524 0.292 1
1 693 . 14 1 1 A 66 66 SER HA H 66 4.457 4.612 -0.155 1
1 696 . 14 1 1 A 66 66 SER C C 66 174.751 174.656 0.095 1
1 697 . 14 1 1 A 66 66 SER CA C 66 58.864 57.794 1.070 1
1 698 . 14 1 1 A 66 66 SER CB C 66 64.180 63.448 0.732 1
1 699 . 14 1 1 A 66 66 SER N N 66 113.693 114.344 -0.651 1
1 700 . 14 1 1 A 67 67 GLY H H 67 7.959 8.033 -0.074 1
1 701 . 14 1 1 A 67 67 GLY HA2 H 67 4.036 3.806 0.230 1
1 702 . 14 1 1 A 67 67 GLY HA3 H 67 3.924 3.850 0.074 1
1 703 . 14 1 1 A 67 67 GLY C C 67 174.775 175.343 -0.568 1
1 704 . 14 1 1 A 67 67 GLY CA C 67 45.678 47.139 -1.461 1
1 705 . 14 1 1 A 67 67 GLY N N 67 108.980 111.678 -2.698 1
1 706 . 14 1 1 A 68 68 HIS H H 68 8.148 7.993 0.155 1
1 707 . 14 1 1 A 68 68 HIS HA H 68 4.861 4.288 0.573 1
1 712 . 14 1 1 A 68 68 HIS C C 68 176.159 176.020 0.139 1
1 713 . 14 1 1 A 68 68 HIS CA C 68 56.004 56.493 -0.489 1
1 714 . 14 1 1 A 68 68 HIS CB C 68 31.585 27.688 3.897 1
1 717 . 14 1 1 A 68 68 HIS N N 68 119.127 121.362 -2.235 1
1 718 . 14 1 1 A 69 69 GLY H H 69 8.610 8.051 0.559 1
1 719 . 14 1 1 A 69 69 GLY HA2 H 69 3.903 3.629 0.274 1
1 720 . 14 1 1 A 69 69 GLY HA3 H 69 3.903 3.637 0.266 1
1 721 . 14 1 1 A 69 69 GLY C C 69 174.290 174.854 -0.564 1
1 722 . 14 1 1 A 69 69 GLY CA C 69 45.890 47.121 -1.231 1
1 723 . 14 1 1 A 69 69 GLY N N 69 109.663 106.933 2.730 1
1 724 . 14 1 1 A 70 70 GLN H H 70 8.325 7.822 0.503 1
1 725 . 14 1 1 A 70 70 GLN HA H 70 4.396 4.487 -0.091 1
1 732 . 14 1 1 A 70 70 GLN C C 70 176.208 175.889 0.319 1
1 733 . 14 1 1 A 70 70 GLN CA C 70 55.616 54.274 1.342 1
1 734 . 14 1 1 A 70 70 GLN CB C 70 29.441 27.165 2.276 1
1 736 . 14 1 1 A 70 70 GLN N N 70 119.031 118.988 0.043 1
1 738 . 14 1 1 A 71 71 SER HA H 71 4.466 4.508 -0.042 1
1 741 . 14 1 1 A 71 71 SER C C 71 174.096 174.033 0.063 1
1 742 . 14 1 1 A 71 71 SER CA C 71 58.506 57.422 1.084 1
1 743 . 14 1 1 A 71 71 SER CB C 71 64.126 62.826 1.300 1
1 744 . 14 1 1 A 72 72 GLY H H 72 8.136 7.642 0.494 1
1 745 . 14 1 1 A 72 72 GLY HA2 H 72 3.776 3.963 -0.187 1
1 746 . 14 1 1 A 72 72 GLY HA3 H 72 3.703 4.014 -0.311 1
1 747 . 14 1 1 A 72 72 GLY C C 72 171.644 173.244 -1.600 1
1 748 . 14 1 1 A 72 72 GLY CA C 72 44.304 44.374 -0.070 1
1 749 . 14 1 1 A 72 72 GLY N N 72 110.082 110.656 -0.574 1
1 750 . 14 1 1 A 73 73 PRO HA H 73 4.408 4.729 -0.321 1
1 757 . 14 1 1 A 73 73 PRO C C 73 175.067 175.123 -0.056 1
1 758 . 14 1 1 A 73 73 PRO CA C 73 63.151 62.728 0.423 1
1 759 . 14 1 1 A 73 73 PRO CB C 73 32.225 31.889 0.336 1
1 763 . 14 1 1 A 74 74 SER CA C 74 58.647 56.898 1.749 1
1 1 . 15 1 1 A 7 7 GLY HA2 H 7 4.246 4.171 0.075 1
1 2 . 15 1 1 A 7 7 GLY HA3 H 7 4.111 4.180 -0.069 1
1 3 . 15 1 1 A 7 7 GLY CA C 7 46.145 45.415 0.730 1
1 4 . 15 1 1 A 8 8 SER HA H 8 4.472 4.597 -0.125 1
1 7 . 15 1 1 A 8 8 SER C C 8 175.844 175.240 0.604 1
1 8 . 15 1 1 A 8 8 SER CA C 8 60.307 58.482 1.825 1
1 9 . 15 1 1 A 8 8 SER CB C 8 63.621 63.103 0.518 1
1 10 . 15 1 1 A 9 9 GLU H H 9 9.766 8.465 1.301 1
1 11 . 15 1 1 A 9 9 GLU HA H 9 4.354 4.373 -0.019 1
1 16 . 15 1 1 A 9 9 GLU C C 9 177.495 178.977 -1.482 1
1 17 . 15 1 1 A 9 9 GLU CA C 9 58.823 58.938 -0.115 1
1 18 . 15 1 1 A 9 9 GLU CB C 9 29.080 29.917 -0.837 1
1 20 . 15 1 1 A 9 9 GLU N N 9 124.626 121.220 3.406 1
1 21 . 15 1 1 A 10 10 ALA H H 10 7.788 8.245 -0.457 1
1 22 . 15 1 1 A 10 10 ALA HA H 10 3.387 3.773 -0.386 1
1 26 . 15 1 1 A 10 10 ALA C C 10 179.145 179.259 -0.114 1
1 27 . 15 1 1 A 10 10 ALA CA C 10 54.588 54.562 0.026 1
1 28 . 15 1 1 A 10 10 ALA CB C 10 17.451 17.203 0.248 1
1 29 . 15 1 1 A 10 10 ALA N N 10 120.412 120.996 -0.584 1
1 30 . 15 1 1 A 11 11 TRP H H 11 7.481 8.065 -0.584 1
1 31 . 15 1 1 A 11 11 TRP HA H 11 4.440 4.641 -0.201 1
1 40 . 15 1 1 A 11 11 TRP C C 11 177.373 179.075 -1.702 1
1 41 . 15 1 1 A 11 11 TRP CA C 11 59.460 59.827 -0.367 1
1 42 . 15 1 1 A 11 11 TRP CB C 11 29.033 29.336 -0.303 1
1 48 . 15 1 1 A 11 11 TRP N N 11 113.286 117.822 -4.536 1
1 50 . 15 1 1 A 12 12 GLU H H 12 7.771 9.066 -1.295 1
1 51 . 15 1 1 A 12 12 GLU HA H 12 4.100 4.062 0.038 1
1 56 . 15 1 1 A 12 12 GLU C C 12 177.543 177.183 0.360 1
1 57 . 15 1 1 A 12 12 GLU CA C 12 58.195 59.338 -1.143 1
1 58 . 15 1 1 A 12 12 GLU CB C 12 29.265 29.140 0.125 1
1 60 . 15 1 1 A 12 12 GLU N N 12 117.805 119.483 -1.678 1
1 61 . 15 1 1 A 13 13 TYR H H 13 7.748 8.296 -0.548 1
1 62 . 15 1 1 A 13 13 TYR HA H 13 4.181 4.519 -0.338 1
1 69 . 15 1 1 A 13 13 TYR C C 13 172.809 174.801 -1.992 1
1 70 . 15 1 1 A 13 13 TYR CA C 13 58.524 57.618 0.906 1
1 71 . 15 1 1 A 13 13 TYR CB C 13 40.503 38.296 2.207 1
1 76 . 15 1 1 A 13 13 TYR N N 13 114.665 115.617 -0.952 1
1 77 . 15 1 1 A 14 14 PHE H H 14 7.590 7.978 -0.388 1
1 78 . 15 1 1 A 14 14 PHE HA H 14 5.336 5.529 -0.193 1
1 86 . 15 1 1 A 14 14 PHE C C 14 174.508 174.713 -0.205 1
1 87 . 15 1 1 A 14 14 PHE CA C 14 56.895 56.475 0.420 1
1 88 . 15 1 1 A 14 14 PHE CB C 14 45.117 43.354 1.763 1
1 94 . 15 1 1 A 14 14 PHE N N 14 115.479 118.129 -2.650 1
1 95 . 15 1 1 A 15 15 HIS H H 15 9.046 9.446 -0.400 1
1 96 . 15 1 1 A 15 15 HIS HA H 15 5.111 5.591 -0.480 1
1 101 . 15 1 1 A 15 15 HIS C C 15 175.455 173.248 2.207 1
1 102 . 15 1 1 A 15 15 HIS CA C 15 54.841 53.967 0.874 1
1 103 . 15 1 1 A 15 15 HIS CB C 15 33.210 32.862 0.348 1
1 106 . 15 1 1 A 15 15 HIS N N 15 118.065 117.653 0.412 1
1 107 . 15 1 1 A 16 16 LEU H H 16 8.899 9.018 -0.119 1
1 108 . 15 1 1 A 16 16 LEU HA H 16 4.624 4.232 0.392 1
1 118 . 15 1 1 A 16 16 LEU C C 16 176.256 177.407 -1.151 1
1 119 . 15 1 1 A 16 16 LEU CA C 16 54.947 55.158 -0.211 1
1 120 . 15 1 1 A 16 16 LEU CB C 16 42.540 42.088 0.452 1
1 124 . 15 1 1 A 16 16 LEU N N 16 125.895 124.783 1.112 1
1 125 . 15 1 1 A 17 17 ALA H H 17 8.412 8.067 0.345 1
1 126 . 15 1 1 A 17 17 ALA HA H 17 4.574 4.936 -0.362 1
1 130 . 15 1 1 A 17 17 ALA C C 17 175.188 175.760 -0.572 1
1 131 . 15 1 1 A 17 17 ALA CA C 17 50.400 50.482 -0.082 1
1 132 . 15 1 1 A 17 17 ALA CB C 17 18.205 19.448 -1.243 1
1 133 . 15 1 1 A 17 17 ALA N N 17 128.151 127.252 0.899 1
1 134 . 15 1 1 A 18 18 PRO HA H 18 4.373 4.537 -0.164 1
1 141 . 15 1 1 A 18 18 PRO C C 18 176.621 176.021 0.600 1
1 142 . 15 1 1 A 18 18 PRO CA C 18 62.911 62.500 0.411 1
1 143 . 15 1 1 A 18 18 PRO CB C 18 32.105 32.293 -0.188 1
1 146 . 15 1 1 A 19 19 ALA H H 19 8.434 8.297 0.137 1
1 147 . 15 1 1 A 19 19 ALA HA H 19 4.300 4.257 0.043 1
1 151 . 15 1 1 A 19 19 ALA C C 19 177.834 178.388 -0.554 1
1 152 . 15 1 1 A 19 19 ALA CA C 19 52.515 53.133 -0.618 1
1 153 . 15 1 1 A 19 19 ALA CB C 19 19.359 18.921 0.438 1
1 154 . 15 1 1 A 19 19 ALA N N 19 125.267 125.280 -0.013 1
1 155 . 15 1 1 A 20 20 ARG H H 20 8.450 8.550 -0.100 1
1 156 . 15 1 1 A 20 20 ARG HA H 20 4.366 4.699 -0.333 1
1 163 . 15 1 1 A 20 20 ARG C C 20 175.795 177.245 -1.450 1
1 164 . 15 1 1 A 20 20 ARG CA C 20 55.405 56.400 -0.995 1
1 165 . 15 1 1 A 20 20 ARG CB C 20 31.685 32.038 -0.353 1
1 168 . 15 1 1 A 20 20 ARG N N 20 121.353 121.122 0.231 1
1 169 . 15 1 1 A 21 21 ALA HA H 21 4.229 4.419 -0.190 1
1 173 . 15 1 1 A 21 21 ALA CA C 21 53.263 53.014 0.249 1
1 174 . 15 1 1 A 21 21 ALA CB C 21 18.577 20.461 -1.884 1
1 175 . 15 1 1 A 22 22 GLY C C 22 175.407 174.665 0.742 1
1 176 . 15 1 1 A 23 23 HIS HA H 23 4.768 4.473 0.295 1
1 181 . 15 1 1 A 23 23 HIS C C 23 178.611 175.097 3.514 1
1 182 . 15 1 1 A 23 23 HIS CA C 23 55.004 57.250 -2.246 1
1 183 . 15 1 1 A 23 23 HIS CB C 23 30.750 30.640 0.110 1
1 186 . 15 1 1 A 24 24 HIS HA H 24 4.673 4.615 0.058 1
1 191 . 15 1 1 A 24 24 HIS C C 24 179.801 174.979 4.822 1
1 192 . 15 1 1 A 24 24 HIS CA C 24 55.610 55.175 0.435 1
1 193 . 15 1 1 A 24 24 HIS CB C 24 31.802 30.058 1.744 1
1 196 . 15 1 1 A 25 25 PRO HA H 25 4.429 4.195 0.234 1
1 203 . 15 1 1 A 25 25 PRO C C 25 176.888 176.347 0.541 1
1 204 . 15 1 1 A 25 25 PRO CA C 25 63.902 62.783 1.119 1
1 205 . 15 1 1 A 25 25 PRO CB C 25 32.124 32.550 -0.426 1
1 208 . 15 1 1 A 26 26 ASN H H 26 9.047 8.872 0.175 1
1 209 . 15 1 1 A 26 26 ASN HA H 26 4.788 4.279 0.509 1
1 214 . 15 1 1 A 26 26 ASN C C 26 175.140 175.276 -0.136 1
1 215 . 15 1 1 A 26 26 ASN CA C 26 53.185 54.105 -0.920 1
1 216 . 15 1 1 A 26 26 ASN CB C 26 38.696 36.948 1.748 1
1 217 . 15 1 1 A 26 26 ASN N N 26 118.042 114.833 3.209 1
1 219 . 15 1 1 A 27 27 GLN H H 27 8.231 8.313 -0.082 1
1 220 . 15 1 1 A 27 27 GLN HA H 27 4.226 4.281 -0.055 1
1 227 . 15 1 1 A 27 27 GLN C C 27 175.212 174.958 0.254 1
1 228 . 15 1 1 A 27 27 GLN CA C 27 57.149 56.704 0.445 1
1 229 . 15 1 1 A 27 27 GLN CB C 27 29.741 30.002 -0.261 1
1 231 . 15 1 1 A 27 27 GLN N N 27 119.679 115.094 4.585 1
1 233 . 15 1 1 A 28 28 TYR H H 28 8.059 7.729 0.330 1
1 234 . 15 1 1 A 28 28 TYR HA H 28 5.109 5.206 -0.097 1
1 241 . 15 1 1 A 28 28 TYR C C 28 174.290 174.180 0.110 1
1 242 . 15 1 1 A 28 28 TYR CA C 28 56.779 56.600 0.179 1
1 243 . 15 1 1 A 28 28 TYR CB C 28 41.333 42.702 -1.369 1
1 248 . 15 1 1 A 28 28 TYR N N 28 116.269 117.528 -1.259 1
1 249 . 15 1 1 A 29 29 ALA H H 29 8.837 9.016 -0.179 1
1 250 . 15 1 1 A 29 29 ALA HA H 29 5.054 5.354 -0.300 1
1 254 . 15 1 1 A 29 29 ALA C C 29 175.795 175.968 -0.173 1
1 255 . 15 1 1 A 29 29 ALA CA C 29 50.612 50.108 0.504 1
1 256 . 15 1 1 A 29 29 ALA CB C 29 23.046 20.718 2.328 1
1 257 . 15 1 1 A 29 29 ALA N N 29 123.222 125.339 -2.117 1
1 258 . 15 1 1 A 30 30 THR H H 30 9.217 8.928 0.289 1
1 259 . 15 1 1 A 30 30 THR HA H 30 4.828 4.681 0.147 1
1 264 . 15 1 1 A 30 30 THR C C 30 173.659 174.269 -0.610 1
1 265 . 15 1 1 A 30 30 THR CA C 30 62.383 61.821 0.562 1
1 266 . 15 1 1 A 30 30 THR CB C 30 70.058 68.992 1.066 1
1 268 . 15 1 1 A 30 30 THR N N 30 119.265 117.906 1.359 1
1 269 . 15 1 1 A 31 31 CYS H H 31 8.927 8.875 0.052 1
1 270 . 15 1 1 A 31 31 CYS HA H 31 3.606 3.944 -0.338 1
1 273 . 15 1 1 A 31 31 CYS C C 31 177.956 175.503 2.453 1
1 274 . 15 1 1 A 31 31 CYS CA C 31 59.743 59.957 -0.214 1
1 275 . 15 1 1 A 31 31 CYS CB C 31 29.971 28.393 1.578 1
1 276 . 15 1 1 A 31 31 CYS N N 31 130.893 126.884 4.009 1
1 277 . 15 1 1 A 32 32 ARG H H 32 9.393 9.129 0.264 1
1 278 . 15 1 1 A 32 32 ARG HA H 32 4.043 4.315 -0.272 1
1 285 . 15 1 1 A 32 32 ARG C C 32 176.693 176.626 0.067 1
1 286 . 15 1 1 A 32 32 ARG CA C 32 58.471 57.716 0.755 1
1 287 . 15 1 1 A 32 32 ARG CB C 32 30.553 29.992 0.561 1
1 290 . 15 1 1 A 32 32 ARG N N 32 130.594 127.917 2.677 1
1 291 . 15 1 1 A 33 33 LEU H H 33 9.135 7.490 1.645 1
1 292 . 15 1 1 A 33 33 LEU HA H 33 4.243 4.134 0.109 1
1 302 . 15 1 1 A 33 33 LEU C C 33 178.150 178.395 -0.245 1
1 303 . 15 1 1 A 33 33 LEU CA C 33 56.709 56.590 0.119 1
1 304 . 15 1 1 A 33 33 LEU CB C 33 41.387 43.143 -1.756 1
1 308 . 15 1 1 A 33 33 LEU N N 33 121.037 117.712 3.325 1
1 309 . 15 1 1 A 34 34 CYS H H 34 8.186 7.992 0.194 1
1 310 . 15 1 1 A 34 34 CYS HA H 34 5.200 4.738 0.462 1
1 313 . 15 1 1 A 34 34 CYS C C 34 176.329 175.898 0.431 1
1 314 . 15 1 1 A 34 34 CYS CA C 34 58.365 59.200 -0.835 1
1 315 . 15 1 1 A 34 34 CYS CB C 34 32.799 30.527 2.272 1
1 316 . 15 1 1 A 34 34 CYS N N 34 115.308 113.469 1.839 1
1 317 . 15 1 1 A 35 35 GLY H H 35 8.027 8.266 -0.239 1
1 318 . 15 1 1 A 35 35 GLY HA2 H 35 3.808 4.011 -0.203 1
1 319 . 15 1 1 A 35 35 GLY HA3 H 35 4.196 4.026 0.170 1
1 320 . 15 1 1 A 35 35 GLY C C 35 173.683 174.389 -0.706 1
1 321 . 15 1 1 A 35 35 GLY CA C 35 46.313 45.333 0.980 1
1 322 . 15 1 1 A 35 35 GLY N N 35 113.546 110.070 3.476 1
1 323 . 15 1 1 A 36 36 ARG H H 36 8.272 7.202 1.070 1
1 324 . 15 1 1 A 36 36 ARG HA H 36 4.273 4.337 -0.064 1
1 331 . 15 1 1 A 36 36 ARG C C 36 175.625 175.719 -0.094 1
1 332 . 15 1 1 A 36 36 ARG CA C 36 56.774 55.932 0.842 1
1 333 . 15 1 1 A 36 36 ARG CB C 36 31.112 31.165 -0.053 1
1 336 . 15 1 1 A 36 36 ARG N N 36 121.138 119.959 1.179 1
1 337 . 15 1 1 A 37 37 GLN H H 37 8.509 8.598 -0.089 1
1 338 . 15 1 1 A 37 37 GLN HA H 37 4.888 4.913 -0.025 1
1 345 . 15 1 1 A 37 37 GLN C C 37 176.184 174.773 1.411 1
1 346 . 15 1 1 A 37 37 GLN CA C 37 55.475 55.906 -0.431 1
1 347 . 15 1 1 A 37 37 GLN CB C 37 29.426 29.608 -0.182 1
1 349 . 15 1 1 A 37 37 GLN N N 37 120.322 121.988 -1.666 1
1 351 . 15 1 1 A 38 38 VAL H H 38 9.281 9.486 -0.205 1
1 352 . 15 1 1 A 38 38 VAL HA H 38 4.216 4.694 -0.478 1
1 360 . 15 1 1 A 38 38 VAL C C 38 174.848 174.608 0.240 1
1 361 . 15 1 1 A 38 38 VAL CA C 38 61.243 61.112 0.131 1
1 362 . 15 1 1 A 38 38 VAL CB C 38 34.146 33.421 0.725 1
1 365 . 15 1 1 A 38 38 VAL N N 38 125.546 126.402 -0.856 1
1 366 . 15 1 1 A 39 39 SER H H 39 8.590 8.641 -0.051 1
1 367 . 15 1 1 A 39 39 SER HA H 39 4.348 4.768 -0.420 1
1 370 . 15 1 1 A 39 39 SER C C 39 174.800 174.714 0.086 1
1 371 . 15 1 1 A 39 39 SER CA C 39 57.731 56.430 1.301 1
1 372 . 15 1 1 A 39 39 SER CB C 39 64.121 63.666 0.455 1
1 373 . 15 1 1 A 39 39 SER N N 39 120.236 120.426 -0.190 1
1 374 . 15 1 1 A 40 40 ARG H H 40 8.684 8.892 -0.208 1
1 375 . 15 1 1 A 40 40 ARG HA H 40 4.189 3.892 0.297 1
1 382 . 15 1 1 A 40 40 ARG C C 40 176.062 176.839 -0.777 1
1 383 . 15 1 1 A 40 40 ARG CA C 40 56.674 58.310 -1.636 1
1 384 . 15 1 1 A 40 40 ARG CB C 40 31.302 30.700 0.602 1
1 387 . 15 1 1 A 40 40 ARG N N 40 123.390 125.954 -2.564 1
1 388 . 15 1 1 A 41 41 GLY H H 41 7.970 7.716 0.254 1
1 389 . 15 1 1 A 41 41 GLY HA2 H 41 3.920 3.997 -0.077 1
1 390 . 15 1 1 A 41 41 GLY HA3 H 41 4.216 4.007 0.209 1
1 391 . 15 1 1 A 41 41 GLY C C 41 171.037 173.641 -2.604 1
1 392 . 15 1 1 A 41 41 GLY CA C 41 44.269 44.450 -0.181 1
1 393 . 15 1 1 A 41 41 GLY N N 41 107.997 105.715 2.282 1
1 394 . 15 1 1 A 42 42 PRO HA H 42 4.462 4.420 0.042 1
1 401 . 15 1 1 A 42 42 PRO C C 42 176.451 177.040 -0.589 1
1 402 . 15 1 1 A 42 42 PRO CA C 42 63.179 65.187 -2.008 1
1 403 . 15 1 1 A 42 42 PRO CB C 42 32.144 32.083 0.061 1
1 406 . 15 1 1 A 43 43 GLY H H 43 8.388 8.400 -0.012 1
1 407 . 15 1 1 A 43 43 GLY HA2 H 43 4.065 3.972 0.093 1
1 408 . 15 1 1 A 43 43 GLY HA3 H 43 3.808 3.976 -0.168 1
1 409 . 15 1 1 A 43 43 GLY CA C 43 45.278 46.737 -1.459 1
1 410 . 15 1 1 A 43 43 GLY N N 43 109.409 106.410 2.999 1
1 411 . 15 1 1 A 44 44 VAL H H 44 7.913 7.706 0.207 1
1 412 . 15 1 1 A 44 44 VAL HA H 44 4.107 4.449 -0.342 1
1 420 . 15 1 1 A 44 44 VAL CA C 44 62.352 61.312 1.040 1
1 421 . 15 1 1 A 44 44 VAL CB C 44 32.777 33.277 -0.500 1
1 424 . 15 1 1 A 44 44 VAL N N 44 117.689 119.301 -1.612 1
1 425 . 15 1 1 A 45 45 ASN HA H 45 4.713 5.090 -0.377 1
1 430 . 15 1 1 A 45 45 ASN CA C 45 53.201 52.793 0.408 1
1 431 . 15 1 1 A 45 45 ASN CB C 45 38.671 37.849 0.822 1
1 433 . 15 1 1 A 46 46 VAL H H 46 7.994 7.892 0.102 1
1 434 . 15 1 1 A 46 46 VAL HA H 46 4.148 4.541 -0.393 1
1 439 . 15 1 1 A 46 46 VAL C C 46 177.834 176.340 1.494 1
1 440 . 15 1 1 A 46 46 VAL CA C 46 62.726 61.309 1.417 1
1 441 . 15 1 1 A 46 46 VAL CB C 46 32.476 32.822 -0.346 1
1 443 . 15 1 1 A 46 46 VAL N N 46 118.432 117.265 1.167 1
1 444 . 15 1 1 A 47 47 GLY HA2 H 47 3.702 4.009 -0.307 1
1 445 . 15 1 1 A 47 47 GLY HA3 H 47 4.104 4.028 0.076 1
1 446 . 15 1 1 A 47 47 GLY C C 47 173.950 174.672 -0.722 1
1 447 . 15 1 1 A 47 47 GLY CA C 47 45.202 45.378 -0.176 1
1 448 . 15 1 1 A 48 48 THR H H 48 8.238 7.539 0.699 1
1 449 . 15 1 1 A 48 48 THR HA H 48 4.066 4.209 -0.143 1
1 454 . 15 1 1 A 48 48 THR C C 48 175.919 173.871 2.048 1
1 455 . 15 1 1 A 48 48 THR CA C 48 67.178 62.599 4.579 1
1 456 . 15 1 1 A 48 48 THR CB C 48 68.681 67.986 0.695 1
1 458 . 15 1 1 A 48 48 THR N N 48 118.267 115.359 2.908 1
1 459 . 15 1 1 A 49 49 THR HA H 49 3.981 4.137 -0.156 1
1 464 . 15 1 1 A 49 49 THR CA C 49 62.689 64.414 -1.725 1
1 465 . 15 1 1 A 49 49 THR CB C 49 69.410 69.002 0.408 1
1 467 . 15 1 1 A 50 50 ALA HA H 50 4.091 3.912 0.179 1
1 471 . 15 1 1 A 50 50 ALA C C 50 180.456 179.552 0.904 1
1 472 . 15 1 1 A 50 50 ALA CA C 50 55.053 55.443 -0.390 1
1 473 . 15 1 1 A 50 50 ALA CB C 50 18.859 18.319 0.540 1
1 474 . 15 1 1 A 51 51 LEU H H 51 7.042 7.649 -0.607 1
1 475 . 15 1 1 A 51 51 LEU HA H 51 3.446 3.155 0.291 1
1 485 . 15 1 1 A 51 51 LEU C C 51 179.170 179.198 -0.028 1
1 486 . 15 1 1 A 51 51 LEU CA C 51 57.395 57.369 0.026 1
1 487 . 15 1 1 A 51 51 LEU CB C 51 39.050 40.997 -1.947 1
1 491 . 15 1 1 A 51 51 LEU N N 51 117.051 117.962 -0.911 1
1 492 . 15 1 1 A 52 52 TRP H H 52 7.992 8.550 -0.558 1
1 493 . 15 1 1 A 52 52 TRP HA H 52 4.412 4.365 0.047 1
1 502 . 15 1 1 A 52 52 TRP C C 52 178.636 178.976 -0.340 1
1 503 . 15 1 1 A 52 52 TRP CA C 52 60.762 60.300 0.462 1
1 504 . 15 1 1 A 52 52 TRP CB C 52 29.830 29.288 0.542 1
1 510 . 15 1 1 A 52 52 TRP N N 52 118.438 118.797 -0.359 1
1 512 . 15 1 1 A 53 53 LYS H H 53 8.239 7.808 0.431 1
1 513 . 15 1 1 A 53 53 LYS HA H 53 4.077 3.998 0.079 1
1 522 . 15 1 1 A 53 53 LYS C C 53 179.777 178.936 0.841 1
1 523 . 15 1 1 A 53 53 LYS CA C 53 59.864 59.228 0.636 1
1 524 . 15 1 1 A 53 53 LYS CB C 53 32.077 32.461 -0.384 1
1 528 . 15 1 1 A 53 53 LYS N N 53 118.342 118.678 -0.336 1
1 529 . 15 1 1 A 54 54 HIS H H 54 7.592 7.734 -0.142 1
1 530 . 15 1 1 A 54 54 HIS HA H 54 4.351 4.346 0.005 1
1 535 . 15 1 1 A 54 54 HIS C C 54 176.499 177.484 -0.985 1
1 536 . 15 1 1 A 54 54 HIS CA C 54 60.409 59.253 1.156 1
1 537 . 15 1 1 A 54 54 HIS CB C 54 28.701 30.273 -1.572 1
1 540 . 15 1 1 A 54 54 HIS N N 54 117.948 120.291 -2.343 1
1 541 . 15 1 1 A 55 55 LEU H H 55 8.223 8.719 -0.496 1
1 542 . 15 1 1 A 55 55 LEU HA H 55 3.829 3.946 -0.117 1
1 552 . 15 1 1 A 55 55 LEU C C 55 178.587 179.383 -0.796 1
1 553 . 15 1 1 A 55 55 LEU CA C 55 58.492 58.207 0.285 1
1 554 . 15 1 1 A 55 55 LEU CB C 55 42.293 41.652 0.641 1
1 558 . 15 1 1 A 55 55 LEU N N 55 118.224 119.824 -1.600 1
1 559 . 15 1 1 A 56 56 LYS H H 56 8.795 8.489 0.306 1
1 560 . 15 1 1 A 56 56 LYS HA H 56 3.823 4.261 -0.438 1
1 569 . 15 1 1 A 56 56 LYS C C 56 177.664 178.501 -0.837 1
1 570 . 15 1 1 A 56 56 LYS CA C 56 58.999 58.430 0.569 1
1 571 . 15 1 1 A 56 56 LYS CB C 56 32.395 32.137 0.258 1
1 575 . 15 1 1 A 56 56 LYS N N 56 115.460 117.504 -2.044 1
1 576 . 15 1 1 A 57 57 SER H H 57 7.600 7.830 -0.230 1
1 577 . 15 1 1 A 57 57 SER HA H 57 4.353 4.275 0.078 1
1 580 . 15 1 1 A 57 57 SER C C 57 176.451 175.453 0.998 1
1 581 . 15 1 1 A 57 57 SER CA C 57 60.480 61.160 -0.680 1
1 582 . 15 1 1 A 57 57 SER CB C 57 63.879 63.287 0.592 1
1 583 . 15 1 1 A 57 57 SER N N 57 110.773 114.905 -4.132 1
1 584 . 15 1 1 A 58 58 MET H H 58 7.685 7.621 0.064 1
1 585 . 15 1 1 A 58 58 MET HA H 58 4.555 4.546 0.009 1
1 593 . 15 1 1 A 58 58 MET C C 58 176.645 177.145 -0.500 1
1 594 . 15 1 1 A 58 58 MET CA C 58 55.158 55.308 -0.150 1
1 595 . 15 1 1 A 58 58 MET CB C 58 32.427 34.272 -1.845 1
1 598 . 15 1 1 A 58 58 MET N N 58 115.874 116.159 -0.285 1
1 599 . 15 1 1 A 59 59 HIS H H 59 7.685 8.001 -0.316 1
1 600 . 15 1 1 A 59 59 HIS HA H 59 5.357 4.720 0.637 1
1 605 . 15 1 1 A 59 59 HIS C C 59 175.140 175.586 -0.446 1
1 606 . 15 1 1 A 59 59 HIS CA C 59 53.114 55.602 -2.488 1
1 607 . 15 1 1 A 59 59 HIS CB C 59 29.080 29.309 -0.229 1
1 610 . 15 1 1 A 59 59 HIS N N 59 117.346 116.453 0.893 1
1 611 . 15 1 1 A 60 60 ARG H H 60 7.995 7.966 0.029 1
1 612 . 15 1 1 A 60 60 ARG HA H 60 3.771 3.815 -0.044 1
1 619 . 15 1 1 A 60 60 ARG C C 60 178.684 178.459 0.225 1
1 620 . 15 1 1 A 60 60 ARG CA C 60 60.646 59.400 1.246 1
1 621 . 15 1 1 A 60 60 ARG CB C 60 29.959 29.904 0.055 1
1 624 . 15 1 1 A 60 60 ARG N N 60 120.640 121.928 -1.288 1
1 625 . 15 1 1 A 61 61 GLU H H 61 8.929 8.030 0.899 1
1 626 . 15 1 1 A 61 61 GLU HA H 61 4.046 4.156 -0.110 1
1 631 . 15 1 1 A 61 61 GLU C C 61 179.024 179.520 -0.496 1
1 632 . 15 1 1 A 61 61 GLU CA C 61 59.775 59.325 0.450 1
1 633 . 15 1 1 A 61 61 GLU CB C 61 28.926 29.549 -0.623 1
1 635 . 15 1 1 A 61 61 GLU N N 61 117.239 119.155 -1.916 1
1 636 . 15 1 1 A 62 62 GLU H H 62 8.182 8.060 0.122 1
1 637 . 15 1 1 A 62 62 GLU HA H 62 4.078 3.999 0.079 1
1 642 . 15 1 1 A 62 62 GLU C C 62 179.242 178.929 0.313 1
1 643 . 15 1 1 A 62 62 GLU CA C 62 59.317 59.237 0.080 1
1 644 . 15 1 1 A 62 62 GLU CB C 62 28.864 29.201 -0.337 1
1 646 . 15 1 1 A 62 62 GLU N N 62 120.004 120.765 -0.761 1
1 647 . 15 1 1 A 63 63 LEU H H 63 7.849 8.090 -0.241 1
1 648 . 15 1 1 A 63 63 LEU HA H 63 4.158 3.769 0.389 1
1 658 . 15 1 1 A 63 63 LEU C C 63 179.679 178.839 0.840 1
1 659 . 15 1 1 A 63 63 LEU CA C 63 57.449 57.701 -0.252 1
1 660 . 15 1 1 A 63 63 LEU CB C 63 41.552 41.684 -0.132 1
1 664 . 15 1 1 A 63 63 LEU N N 63 119.191 120.514 -1.323 1
1 665 . 15 1 1 A 64 64 GLU H H 64 8.097 7.879 0.218 1
1 666 . 15 1 1 A 64 64 GLU HA H 64 4.113 3.963 0.150 1
1 671 . 15 1 1 A 64 64 GLU C C 64 178.951 179.395 -0.444 1
1 672 . 15 1 1 A 64 64 GLU CA C 64 58.480 59.850 -1.370 1
1 673 . 15 1 1 A 64 64 GLU CB C 64 29.548 29.356 0.192 1
1 675 . 15 1 1 A 64 64 GLU N N 64 118.834 117.584 1.250 1
1 676 . 15 1 1 A 65 65 LYS H H 65 7.854 8.336 -0.482 1
1 677 . 15 1 1 A 65 65 LYS HA H 65 4.197 4.068 0.129 1
1 685 . 15 1 1 A 65 65 LYS C C 65 177.713 177.187 0.526 1
1 686 . 15 1 1 A 65 65 LYS CA C 65 58.154 59.165 -1.011 1
1 687 . 15 1 1 A 65 65 LYS CB C 65 32.614 32.312 0.302 1
1 691 . 15 1 1 A 65 65 LYS N N 65 119.350 121.829 -2.479 1
1 692 . 15 1 1 A 66 66 SER H H 66 7.816 7.992 -0.176 1
1 693 . 15 1 1 A 66 66 SER HA H 66 4.457 4.602 -0.145 1
1 696 . 15 1 1 A 66 66 SER C C 66 174.751 175.378 -0.627 1
1 697 . 15 1 1 A 66 66 SER CA C 66 58.864 58.338 0.526 1
1 698 . 15 1 1 A 66 66 SER CB C 66 64.180 64.540 -0.360 1
1 699 . 15 1 1 A 66 66 SER N N 66 113.693 115.021 -1.328 1
1 700 . 15 1 1 A 67 67 GLY H H 67 7.959 8.639 -0.680 1
1 701 . 15 1 1 A 67 67 GLY HA2 H 67 4.036 3.903 0.133 1
1 702 . 15 1 1 A 67 67 GLY HA3 H 67 3.924 3.933 -0.009 1
1 703 . 15 1 1 A 67 67 GLY C C 67 174.775 174.363 0.412 1
1 704 . 15 1 1 A 67 67 GLY CA C 67 45.678 46.833 -1.155 1
1 705 . 15 1 1 A 67 67 GLY N N 67 108.980 111.189 -2.209 1
1 706 . 15 1 1 A 68 68 HIS H H 68 8.148 7.867 0.281 1
1 707 . 15 1 1 A 68 68 HIS HA H 68 4.861 4.967 -0.106 1
1 712 . 15 1 1 A 68 68 HIS C C 68 176.159 174.357 1.802 1
1 713 . 15 1 1 A 68 68 HIS CA C 68 56.004 54.303 1.701 1
1 714 . 15 1 1 A 68 68 HIS CB C 68 31.585 28.810 2.775 1
1 717 . 15 1 1 A 68 68 HIS N N 68 119.127 117.811 1.316 1
1 718 . 15 1 1 A 69 69 GLY H H 69 8.610 8.862 -0.252 1
1 719 . 15 1 1 A 69 69 GLY HA2 H 69 3.903 3.935 -0.032 1
1 720 . 15 1 1 A 69 69 GLY HA3 H 69 3.903 3.945 -0.042 1
1 721 . 15 1 1 A 69 69 GLY C C 69 174.290 174.421 -0.131 1
1 722 . 15 1 1 A 69 69 GLY CA C 69 45.890 45.284 0.606 1
1 723 . 15 1 1 A 69 69 GLY N N 69 109.663 110.957 -1.294 1
1 724 . 15 1 1 A 70 70 GLN H H 70 8.325 8.905 -0.580 1
1 725 . 15 1 1 A 70 70 GLN HA H 70 4.396 3.791 0.605 1
1 732 . 15 1 1 A 70 70 GLN C C 70 176.208 174.611 1.597 1
1 733 . 15 1 1 A 70 70 GLN CA C 70 55.616 56.530 -0.914 1
1 734 . 15 1 1 A 70 70 GLN CB C 70 29.441 26.496 2.945 1
1 736 . 15 1 1 A 70 70 GLN N N 70 119.031 122.651 -3.620 1
1 738 . 15 1 1 A 71 71 SER HA H 71 4.466 4.042 0.424 1
1 741 . 15 1 1 A 71 71 SER C C 71 174.096 175.550 -1.454 1
1 742 . 15 1 1 A 71 71 SER CA C 71 58.506 59.873 -1.367 1
1 743 . 15 1 1 A 71 71 SER CB C 71 64.126 62.305 1.821 1
1 744 . 15 1 1 A 72 72 GLY H H 72 8.136 8.782 -0.646 1
1 745 . 15 1 1 A 72 72 GLY HA2 H 72 3.776 3.804 -0.028 1
1 746 . 15 1 1 A 72 72 GLY HA3 H 72 3.703 3.878 -0.175 1
1 747 . 15 1 1 A 72 72 GLY C C 72 171.644 175.230 -3.586 1
1 748 . 15 1 1 A 72 72 GLY CA C 72 44.304 46.564 -2.260 1
1 749 . 15 1 1 A 72 72 GLY N N 72 110.082 115.120 -5.038 1
1 750 . 15 1 1 A 73 73 PRO HA H 73 4.408 4.282 0.126 1
1 757 . 15 1 1 A 73 73 PRO C C 73 175.067 177.651 -2.584 1
1 758 . 15 1 1 A 73 73 PRO CA C 73 63.151 65.008 -1.857 1
1 759 . 15 1 1 A 73 73 PRO CB C 73 32.225 32.122 0.103 1
1 763 . 15 1 1 A 74 74 SER CA C 74 58.647 58.331 0.316 1
1 1 . 16 1 1 A 7 7 GLY HA2 H 7 4.246 4.219 0.027 1
1 2 . 16 1 1 A 7 7 GLY HA3 H 7 4.111 4.268 -0.157 1
1 3 . 16 1 1 A 7 7 GLY CA C 7 46.145 45.844 0.301 1
1 4 . 16 1 1 A 8 8 SER HA H 8 4.472 4.769 -0.297 1
1 7 . 16 1 1 A 8 8 SER C C 8 175.844 175.372 0.472 1
1 8 . 16 1 1 A 8 8 SER CA C 8 60.307 58.225 2.082 1
1 9 . 16 1 1 A 8 8 SER CB C 8 63.621 63.194 0.427 1
1 10 . 16 1 1 A 9 9 GLU H H 9 9.766 8.412 1.354 1
1 11 . 16 1 1 A 9 9 GLU HA H 9 4.354 4.278 0.076 1
1 16 . 16 1 1 A 9 9 GLU C C 9 177.495 178.950 -1.455 1
1 17 . 16 1 1 A 9 9 GLU CA C 9 58.823 58.882 -0.059 1
1 18 . 16 1 1 A 9 9 GLU CB C 9 29.080 29.819 -0.739 1
1 20 . 16 1 1 A 9 9 GLU N N 9 124.626 121.275 3.351 1
1 21 . 16 1 1 A 10 10 ALA H H 10 7.788 7.982 -0.194 1
1 22 . 16 1 1 A 10 10 ALA HA H 10 3.387 3.780 -0.393 1
1 26 . 16 1 1 A 10 10 ALA C C 10 179.145 179.559 -0.414 1
1 27 . 16 1 1 A 10 10 ALA CA C 10 54.588 54.482 0.106 1
1 28 . 16 1 1 A 10 10 ALA CB C 10 17.451 17.162 0.289 1
1 29 . 16 1 1 A 10 10 ALA N N 10 120.412 121.568 -1.156 1
1 30 . 16 1 1 A 11 11 TRP H H 11 7.481 8.048 -0.567 1
1 31 . 16 1 1 A 11 11 TRP HA H 11 4.440 4.615 -0.175 1
1 40 . 16 1 1 A 11 11 TRP C C 11 177.373 179.146 -1.773 1
1 41 . 16 1 1 A 11 11 TRP CA C 11 59.460 59.762 -0.302 1
1 42 . 16 1 1 A 11 11 TRP CB C 11 29.033 29.165 -0.132 1
1 48 . 16 1 1 A 11 11 TRP N N 11 113.286 118.001 -4.715 1
1 50 . 16 1 1 A 12 12 GLU H H 12 7.771 9.189 -1.418 1
1 51 . 16 1 1 A 12 12 GLU HA H 12 4.100 4.043 0.057 1
1 56 . 16 1 1 A 12 12 GLU C C 12 177.543 177.147 0.396 1
1 57 . 16 1 1 A 12 12 GLU CA C 12 58.195 59.406 -1.211 1
1 58 . 16 1 1 A 12 12 GLU CB C 12 29.265 28.879 0.386 1
1 60 . 16 1 1 A 12 12 GLU N N 12 117.805 118.845 -1.040 1
1 61 . 16 1 1 A 13 13 TYR H H 13 7.748 8.340 -0.592 1
1 62 . 16 1 1 A 13 13 TYR HA H 13 4.181 4.549 -0.368 1
1 69 . 16 1 1 A 13 13 TYR C C 13 172.809 174.838 -2.029 1
1 70 . 16 1 1 A 13 13 TYR CA C 13 58.524 57.654 0.870 1
1 71 . 16 1 1 A 13 13 TYR CB C 13 40.503 38.320 2.183 1
1 76 . 16 1 1 A 13 13 TYR N N 13 114.665 115.633 -0.968 1
1 77 . 16 1 1 A 14 14 PHE H H 14 7.590 8.186 -0.596 1
1 78 . 16 1 1 A 14 14 PHE HA H 14 5.336 5.511 -0.175 1
1 86 . 16 1 1 A 14 14 PHE C C 14 174.508 174.682 -0.174 1
1 87 . 16 1 1 A 14 14 PHE CA C 14 56.895 56.810 0.085 1
1 88 . 16 1 1 A 14 14 PHE CB C 14 45.117 43.675 1.442 1
1 94 . 16 1 1 A 14 14 PHE N N 14 115.479 118.423 -2.944 1
1 95 . 16 1 1 A 15 15 HIS H H 15 9.046 9.493 -0.447 1
1 96 . 16 1 1 A 15 15 HIS HA H 15 5.111 5.660 -0.549 1
1 101 . 16 1 1 A 15 15 HIS C C 15 175.455 174.032 1.423 1
1 102 . 16 1 1 A 15 15 HIS CA C 15 54.841 53.921 0.920 1
1 103 . 16 1 1 A 15 15 HIS CB C 15 33.210 32.634 0.576 1
1 106 . 16 1 1 A 15 15 HIS N N 15 118.065 118.295 -0.230 1
1 107 . 16 1 1 A 16 16 LEU H H 16 8.899 9.062 -0.163 1
1 108 . 16 1 1 A 16 16 LEU HA H 16 4.624 4.205 0.419 1
1 118 . 16 1 1 A 16 16 LEU C C 16 176.256 177.250 -0.994 1
1 119 . 16 1 1 A 16 16 LEU CA C 16 54.947 55.195 -0.248 1
1 120 . 16 1 1 A 16 16 LEU CB C 16 42.540 42.150 0.390 1
1 124 . 16 1 1 A 16 16 LEU N N 16 125.895 126.155 -0.260 1
1 125 . 16 1 1 A 17 17 ALA H H 17 8.412 8.692 -0.280 1
1 126 . 16 1 1 A 17 17 ALA HA H 17 4.574 5.027 -0.453 1
1 130 . 16 1 1 A 17 17 ALA C C 17 175.188 175.305 -0.117 1
1 131 . 16 1 1 A 17 17 ALA CA C 17 50.400 49.938 0.462 1
1 132 . 16 1 1 A 17 17 ALA CB C 17 18.205 19.967 -1.762 1
1 133 . 16 1 1 A 17 17 ALA N N 17 128.151 126.707 1.444 1
1 134 . 16 1 1 A 18 18 PRO HA H 18 4.373 4.584 -0.211 1
1 141 . 16 1 1 A 18 18 PRO C C 18 176.621 175.998 0.623 1
1 142 . 16 1 1 A 18 18 PRO CA C 18 62.911 62.434 0.477 1
1 143 . 16 1 1 A 18 18 PRO CB C 18 32.105 32.478 -0.373 1
1 146 . 16 1 1 A 19 19 ALA H H 19 8.434 8.404 0.030 1
1 147 . 16 1 1 A 19 19 ALA HA H 19 4.300 4.566 -0.266 1
1 151 . 16 1 1 A 19 19 ALA C C 19 177.834 177.998 -0.164 1
1 152 . 16 1 1 A 19 19 ALA CA C 19 52.515 51.234 1.281 1
1 153 . 16 1 1 A 19 19 ALA CB C 19 19.359 20.153 -0.794 1
1 154 . 16 1 1 A 19 19 ALA N N 19 125.267 124.978 0.289 1
1 155 . 16 1 1 A 20 20 ARG H H 20 8.450 8.486 -0.036 1
1 156 . 16 1 1 A 20 20 ARG HA H 20 4.366 4.597 -0.231 1
1 163 . 16 1 1 A 20 20 ARG C C 20 175.795 177.626 -1.831 1
1 164 . 16 1 1 A 20 20 ARG CA C 20 55.405 56.420 -1.015 1
1 165 . 16 1 1 A 20 20 ARG CB C 20 31.685 32.213 -0.528 1
1 168 . 16 1 1 A 20 20 ARG N N 20 121.353 120.273 1.080 1
1 169 . 16 1 1 A 21 21 ALA HA H 21 4.229 4.080 0.149 1
1 173 . 16 1 1 A 21 21 ALA CA C 21 53.263 54.340 -1.077 1
1 174 . 16 1 1 A 21 21 ALA CB C 21 18.577 19.402 -0.825 1
1 175 . 16 1 1 A 22 22 GLY C C 22 175.407 174.218 1.189 1
1 176 . 16 1 1 A 23 23 HIS HA H 23 4.768 4.859 -0.091 1
1 181 . 16 1 1 A 23 23 HIS C C 23 178.611 174.430 4.181 1
1 182 . 16 1 1 A 23 23 HIS CA C 23 55.004 55.184 -0.180 1
1 183 . 16 1 1 A 23 23 HIS CB C 23 30.750 33.059 -2.309 1
1 186 . 16 1 1 A 24 24 HIS HA H 24 4.673 4.293 0.380 1
1 191 . 16 1 1 A 24 24 HIS C C 24 179.801 173.814 5.987 1
1 192 . 16 1 1 A 24 24 HIS CA C 24 55.610 55.158 0.452 1
1 193 . 16 1 1 A 24 24 HIS CB C 24 31.802 30.508 1.294 1
1 196 . 16 1 1 A 25 25 PRO HA H 25 4.429 4.129 0.300 1
1 203 . 16 1 1 A 25 25 PRO C C 25 176.888 176.424 0.464 1
1 204 . 16 1 1 A 25 25 PRO CA C 25 63.902 63.307 0.595 1
1 205 . 16 1 1 A 25 25 PRO CB C 25 32.124 32.020 0.104 1
1 208 . 16 1 1 A 26 26 ASN H H 26 9.047 8.858 0.189 1
1 209 . 16 1 1 A 26 26 ASN HA H 26 4.788 4.290 0.498 1
1 214 . 16 1 1 A 26 26 ASN C C 26 175.140 175.620 -0.480 1
1 215 . 16 1 1 A 26 26 ASN CA C 26 53.185 53.998 -0.813 1
1 216 . 16 1 1 A 26 26 ASN CB C 26 38.696 36.894 1.802 1
1 217 . 16 1 1 A 26 26 ASN N N 26 118.042 115.531 2.511 1
1 219 . 16 1 1 A 27 27 GLN H H 27 8.231 8.321 -0.090 1
1 220 . 16 1 1 A 27 27 GLN HA H 27 4.226 4.313 -0.087 1
1 227 . 16 1 1 A 27 27 GLN C C 27 175.212 175.626 -0.414 1
1 228 . 16 1 1 A 27 27 GLN CA C 27 57.149 58.454 -1.305 1
1 229 . 16 1 1 A 27 27 GLN CB C 27 29.741 28.421 1.320 1
1 231 . 16 1 1 A 27 27 GLN N N 27 119.679 115.210 4.469 1
1 233 . 16 1 1 A 28 28 TYR H H 28 8.059 7.998 0.061 1
1 234 . 16 1 1 A 28 28 TYR HA H 28 5.109 5.074 0.035 1
1 241 . 16 1 1 A 28 28 TYR C C 28 174.290 175.414 -1.124 1
1 242 . 16 1 1 A 28 28 TYR CA C 28 56.779 57.248 -0.469 1
1 243 . 16 1 1 A 28 28 TYR CB C 28 41.333 40.949 0.384 1
1 248 . 16 1 1 A 28 28 TYR N N 28 116.269 117.958 -1.689 1
1 249 . 16 1 1 A 29 29 ALA H H 29 8.837 9.060 -0.223 1
1 250 . 16 1 1 A 29 29 ALA HA H 29 5.054 5.380 -0.326 1
1 254 . 16 1 1 A 29 29 ALA C C 29 175.795 175.705 0.090 1
1 255 . 16 1 1 A 29 29 ALA CA C 29 50.612 50.179 0.433 1
1 256 . 16 1 1 A 29 29 ALA CB C 29 23.046 22.301 0.745 1
1 257 . 16 1 1 A 29 29 ALA N N 29 123.222 123.337 -0.115 1
1 258 . 16 1 1 A 30 30 THR H H 30 9.217 8.861 0.356 1
1 259 . 16 1 1 A 30 30 THR HA H 30 4.828 4.754 0.074 1
1 264 . 16 1 1 A 30 30 THR C C 30 173.659 174.267 -0.608 1
1 265 . 16 1 1 A 30 30 THR CA C 30 62.383 61.834 0.549 1
1 266 . 16 1 1 A 30 30 THR CB C 30 70.058 69.228 0.830 1
1 268 . 16 1 1 A 30 30 THR N N 30 119.265 117.889 1.376 1
1 269 . 16 1 1 A 31 31 CYS H H 31 8.927 8.643 0.284 1
1 270 . 16 1 1 A 31 31 CYS HA H 31 3.606 3.853 -0.247 1
1 273 . 16 1 1 A 31 31 CYS C C 31 177.956 175.542 2.414 1
1 274 . 16 1 1 A 31 31 CYS CA C 31 59.743 59.908 -0.165 1
1 275 . 16 1 1 A 31 31 CYS CB C 31 29.971 28.559 1.412 1
1 276 . 16 1 1 A 31 31 CYS N N 31 130.893 126.517 4.376 1
1 277 . 16 1 1 A 32 32 ARG H H 32 9.393 9.071 0.322 1
1 278 . 16 1 1 A 32 32 ARG HA H 32 4.043 4.238 -0.195 1
1 285 . 16 1 1 A 32 32 ARG C C 32 176.693 177.053 -0.360 1
1 286 . 16 1 1 A 32 32 ARG CA C 32 58.471 58.097 0.374 1
1 287 . 16 1 1 A 32 32 ARG CB C 32 30.553 30.095 0.458 1
1 290 . 16 1 1 A 32 32 ARG N N 32 130.594 127.543 3.051 1
1 291 . 16 1 1 A 33 33 LEU H H 33 9.135 7.509 1.626 1
1 292 . 16 1 1 A 33 33 LEU HA H 33 4.243 4.085 0.158 1
1 302 . 16 1 1 A 33 33 LEU C C 33 178.150 178.418 -0.268 1
1 303 . 16 1 1 A 33 33 LEU CA C 33 56.709 57.120 -0.411 1
1 304 . 16 1 1 A 33 33 LEU CB C 33 41.387 42.608 -1.221 1
1 308 . 16 1 1 A 33 33 LEU N N 33 121.037 117.863 3.174 1
1 309 . 16 1 1 A 34 34 CYS H H 34 8.186 7.989 0.197 1
1 310 . 16 1 1 A 34 34 CYS HA H 34 5.200 4.715 0.485 1
1 313 . 16 1 1 A 34 34 CYS C C 34 176.329 175.503 0.826 1
1 314 . 16 1 1 A 34 34 CYS CA C 34 58.365 59.604 -1.239 1
1 315 . 16 1 1 A 34 34 CYS CB C 34 32.799 30.054 2.745 1
1 316 . 16 1 1 A 34 34 CYS N N 34 115.308 113.123 2.185 1
1 317 . 16 1 1 A 35 35 GLY H H 35 8.027 8.197 -0.170 1
1 318 . 16 1 1 A 35 35 GLY HA2 H 35 3.808 3.998 -0.190 1
1 319 . 16 1 1 A 35 35 GLY HA3 H 35 4.196 4.013 0.183 1
1 320 . 16 1 1 A 35 35 GLY C C 35 173.683 173.994 -0.311 1
1 321 . 16 1 1 A 35 35 GLY CA C 35 46.313 45.405 0.908 1
1 322 . 16 1 1 A 35 35 GLY N N 35 113.546 110.479 3.067 1
1 323 . 16 1 1 A 36 36 ARG H H 36 8.272 7.289 0.983 1
1 324 . 16 1 1 A 36 36 ARG HA H 36 4.273 4.596 -0.323 1
1 331 . 16 1 1 A 36 36 ARG C C 36 175.625 176.022 -0.397 1
1 332 . 16 1 1 A 36 36 ARG CA C 36 56.774 54.844 1.930 1
1 333 . 16 1 1 A 36 36 ARG CB C 36 31.112 31.830 -0.718 1
1 336 . 16 1 1 A 36 36 ARG N N 36 121.138 119.348 1.790 1
1 337 . 16 1 1 A 37 37 GLN H H 37 8.509 8.500 0.009 1
1 338 . 16 1 1 A 37 37 GLN HA H 37 4.888 4.948 -0.060 1
1 345 . 16 1 1 A 37 37 GLN C C 37 176.184 175.293 0.891 1
1 346 . 16 1 1 A 37 37 GLN CA C 37 55.475 55.697 -0.222 1
1 347 . 16 1 1 A 37 37 GLN CB C 37 29.426 29.020 0.406 1
1 349 . 16 1 1 A 37 37 GLN N N 37 120.322 121.381 -1.059 1
1 351 . 16 1 1 A 38 38 VAL H H 38 9.281 9.188 0.093 1
1 352 . 16 1 1 A 38 38 VAL HA H 38 4.216 4.421 -0.205 1
1 360 . 16 1 1 A 38 38 VAL C C 38 174.848 175.577 -0.729 1
1 361 . 16 1 1 A 38 38 VAL CA C 38 61.243 61.532 -0.289 1
1 362 . 16 1 1 A 38 38 VAL CB C 38 34.146 34.447 -0.301 1
1 365 . 16 1 1 A 38 38 VAL N N 38 125.546 124.890 0.656 1
1 366 . 16 1 1 A 39 39 SER H H 39 8.590 8.982 -0.392 1
1 367 . 16 1 1 A 39 39 SER HA H 39 4.348 4.798 -0.450 1
1 370 . 16 1 1 A 39 39 SER C C 39 174.800 175.149 -0.349 1
1 371 . 16 1 1 A 39 39 SER CA C 39 57.731 57.324 0.407 1
1 372 . 16 1 1 A 39 39 SER CB C 39 64.121 64.910 -0.789 1
1 373 . 16 1 1 A 39 39 SER N N 39 120.236 123.309 -3.073 1
1 374 . 16 1 1 A 40 40 ARG H H 40 8.684 8.980 -0.296 1
1 375 . 16 1 1 A 40 40 ARG HA H 40 4.189 4.304 -0.115 1
1 382 . 16 1 1 A 40 40 ARG C C 40 176.062 177.327 -1.265 1
1 383 . 16 1 1 A 40 40 ARG CA C 40 56.674 56.513 0.161 1
1 384 . 16 1 1 A 40 40 ARG CB C 40 31.302 30.925 0.377 1
1 387 . 16 1 1 A 40 40 ARG N N 40 123.390 122.592 0.798 1
1 388 . 16 1 1 A 41 41 GLY H H 41 7.970 7.883 0.087 1
1 389 . 16 1 1 A 41 41 GLY HA2 H 41 3.920 4.044 -0.124 1
1 390 . 16 1 1 A 41 41 GLY HA3 H 41 4.216 4.058 0.158 1
1 391 . 16 1 1 A 41 41 GLY C C 41 171.037 173.241 -2.204 1
1 392 . 16 1 1 A 41 41 GLY CA C 41 44.269 44.778 -0.509 1
1 393 . 16 1 1 A 41 41 GLY N N 41 107.997 106.469 1.528 1
1 394 . 16 1 1 A 42 42 PRO HA H 42 4.462 4.443 0.019 1
1 401 . 16 1 1 A 42 42 PRO C C 42 176.451 177.181 -0.730 1
1 402 . 16 1 1 A 42 42 PRO CA C 42 63.179 63.075 0.104 1
1 403 . 16 1 1 A 42 42 PRO CB C 42 32.144 29.763 2.381 1
1 406 . 16 1 1 A 43 43 GLY H H 43 8.388 8.278 0.110 1
1 407 . 16 1 1 A 43 43 GLY HA2 H 43 4.065 4.047 0.018 1
1 408 . 16 1 1 A 43 43 GLY HA3 H 43 3.808 4.049 -0.241 1
1 409 . 16 1 1 A 43 43 GLY CA C 43 45.278 45.239 0.039 1
1 410 . 16 1 1 A 43 43 GLY N N 43 109.409 112.735 -3.326 1
1 411 . 16 1 1 A 44 44 VAL H H 44 7.913 7.999 -0.086 1
1 412 . 16 1 1 A 44 44 VAL HA H 44 4.107 4.287 -0.180 1
1 420 . 16 1 1 A 44 44 VAL CA C 44 62.352 61.027 1.325 1
1 421 . 16 1 1 A 44 44 VAL CB C 44 32.777 32.202 0.575 1
1 424 . 16 1 1 A 44 44 VAL N N 44 117.689 120.567 -2.878 1
1 425 . 16 1 1 A 45 45 ASN HA H 45 4.713 5.035 -0.322 1
1 430 . 16 1 1 A 45 45 ASN CA C 45 53.201 54.062 -0.861 1
1 431 . 16 1 1 A 45 45 ASN CB C 45 38.671 40.278 -1.607 1
1 433 . 16 1 1 A 46 46 VAL H H 46 7.994 7.595 0.399 1
1 434 . 16 1 1 A 46 46 VAL HA H 46 4.148 3.763 0.385 1
1 439 . 16 1 1 A 46 46 VAL C C 46 177.834 176.288 1.546 1
1 440 . 16 1 1 A 46 46 VAL CA C 46 62.726 65.897 -3.171 1
1 441 . 16 1 1 A 46 46 VAL CB C 46 32.476 32.093 0.383 1
1 443 . 16 1 1 A 46 46 VAL N N 46 118.432 118.757 -0.325 1
1 444 . 16 1 1 A 47 47 GLY HA2 H 47 3.702 4.056 -0.354 1
1 445 . 16 1 1 A 47 47 GLY HA3 H 47 4.104 4.078 0.026 1
1 446 . 16 1 1 A 47 47 GLY C C 47 173.950 174.581 -0.631 1
1 447 . 16 1 1 A 47 47 GLY CA C 47 45.202 45.801 -0.599 1
1 448 . 16 1 1 A 48 48 THR H H 48 8.238 7.853 0.385 1
1 449 . 16 1 1 A 48 48 THR HA H 48 4.066 4.203 -0.137 1
1 454 . 16 1 1 A 48 48 THR C C 48 175.919 173.941 1.978 1
1 455 . 16 1 1 A 48 48 THR CA C 48 67.178 62.699 4.479 1
1 456 . 16 1 1 A 48 48 THR CB C 48 68.681 67.938 0.743 1
1 458 . 16 1 1 A 48 48 THR N N 48 118.267 115.858 2.409 1
1 459 . 16 1 1 A 49 49 THR HA H 49 3.981 4.114 -0.133 1
1 464 . 16 1 1 A 49 49 THR CA C 49 62.689 64.467 -1.778 1
1 465 . 16 1 1 A 49 49 THR CB C 49 69.410 69.142 0.268 1
1 467 . 16 1 1 A 50 50 ALA HA H 50 4.091 3.944 0.147 1
1 471 . 16 1 1 A 50 50 ALA C C 50 180.456 179.517 0.939 1
1 472 . 16 1 1 A 50 50 ALA CA C 50 55.053 55.618 -0.565 1
1 473 . 16 1 1 A 50 50 ALA CB C 50 18.859 18.338 0.521 1
1 474 . 16 1 1 A 51 51 LEU H H 51 7.042 7.726 -0.684 1
1 475 . 16 1 1 A 51 51 LEU HA H 51 3.446 3.287 0.159 1
1 485 . 16 1 1 A 51 51 LEU C C 51 179.170 179.074 0.096 1
1 486 . 16 1 1 A 51 51 LEU CA C 51 57.395 57.547 -0.152 1
1 487 . 16 1 1 A 51 51 LEU CB C 51 39.050 41.194 -2.144 1
1 491 . 16 1 1 A 51 51 LEU N N 51 117.051 117.711 -0.660 1
1 492 . 16 1 1 A 52 52 TRP H H 52 7.992 8.261 -0.269 1
1 493 . 16 1 1 A 52 52 TRP HA H 52 4.412 4.260 0.152 1
1 502 . 16 1 1 A 52 52 TRP C C 52 178.636 178.922 -0.286 1
1 503 . 16 1 1 A 52 52 TRP CA C 52 60.762 60.247 0.515 1
1 504 . 16 1 1 A 52 52 TRP CB C 52 29.830 29.373 0.457 1
1 510 . 16 1 1 A 52 52 TRP N N 52 118.438 118.672 -0.234 1
1 512 . 16 1 1 A 53 53 LYS H H 53 8.239 7.816 0.423 1
1 513 . 16 1 1 A 53 53 LYS HA H 53 4.077 3.998 0.079 1
1 522 . 16 1 1 A 53 53 LYS C C 53 179.777 178.938 0.839 1
1 523 . 16 1 1 A 53 53 LYS CA C 53 59.864 59.328 0.536 1
1 524 . 16 1 1 A 53 53 LYS CB C 53 32.077 32.438 -0.361 1
1 528 . 16 1 1 A 53 53 LYS N N 53 118.342 118.940 -0.598 1
1 529 . 16 1 1 A 54 54 HIS H H 54 7.592 7.863 -0.271 1
1 530 . 16 1 1 A 54 54 HIS HA H 54 4.351 4.372 -0.021 1
1 535 . 16 1 1 A 54 54 HIS C C 54 176.499 177.442 -0.943 1
1 536 . 16 1 1 A 54 54 HIS CA C 54 60.409 59.310 1.099 1
1 537 . 16 1 1 A 54 54 HIS CB C 54 28.701 30.420 -1.719 1
1 540 . 16 1 1 A 54 54 HIS N N 54 117.948 120.180 -2.232 1
1 541 . 16 1 1 A 55 55 LEU H H 55 8.223 8.838 -0.615 1
1 542 . 16 1 1 A 55 55 LEU HA H 55 3.829 3.936 -0.107 1
1 552 . 16 1 1 A 55 55 LEU C C 55 178.587 179.391 -0.804 1
1 553 . 16 1 1 A 55 55 LEU CA C 55 58.492 58.106 0.386 1
1 554 . 16 1 1 A 55 55 LEU CB C 55 42.293 41.453 0.840 1
1 558 . 16 1 1 A 55 55 LEU N N 55 118.224 119.805 -1.581 1
1 559 . 16 1 1 A 56 56 LYS H H 56 8.795 8.572 0.223 1
1 560 . 16 1 1 A 56 56 LYS HA H 56 3.823 4.266 -0.443 1
1 569 . 16 1 1 A 56 56 LYS C C 56 177.664 178.582 -0.918 1
1 570 . 16 1 1 A 56 56 LYS CA C 56 58.999 58.425 0.574 1
1 571 . 16 1 1 A 56 56 LYS CB C 56 32.395 32.223 0.172 1
1 575 . 16 1 1 A 56 56 LYS N N 56 115.460 117.712 -2.252 1
1 576 . 16 1 1 A 57 57 SER H H 57 7.600 7.879 -0.279 1
1 577 . 16 1 1 A 57 57 SER HA H 57 4.353 4.314 0.039 1
1 580 . 16 1 1 A 57 57 SER C C 57 176.451 175.675 0.776 1
1 581 . 16 1 1 A 57 57 SER CA C 57 60.480 61.163 -0.683 1
1 582 . 16 1 1 A 57 57 SER CB C 57 63.879 63.228 0.651 1
1 583 . 16 1 1 A 57 57 SER N N 57 110.773 114.926 -4.153 1
1 584 . 16 1 1 A 58 58 MET H H 58 7.685 7.665 0.020 1
1 585 . 16 1 1 A 58 58 MET HA H 58 4.555 4.528 0.027 1
1 593 . 16 1 1 A 58 58 MET C C 58 176.645 177.249 -0.604 1
1 594 . 16 1 1 A 58 58 MET CA C 58 55.158 55.542 -0.384 1
1 595 . 16 1 1 A 58 58 MET CB C 58 32.427 33.881 -1.454 1
1 598 . 16 1 1 A 58 58 MET N N 58 115.874 116.387 -0.513 1
1 599 . 16 1 1 A 59 59 HIS H H 59 7.685 7.748 -0.063 1
1 600 . 16 1 1 A 59 59 HIS HA H 59 5.357 4.670 0.687 1
1 605 . 16 1 1 A 59 59 HIS C C 59 175.140 175.579 -0.439 1
1 606 . 16 1 1 A 59 59 HIS CA C 59 53.114 55.720 -2.606 1
1 607 . 16 1 1 A 59 59 HIS CB C 59 29.080 29.229 -0.149 1
1 610 . 16 1 1 A 59 59 HIS N N 59 117.346 117.125 0.221 1
1 611 . 16 1 1 A 60 60 ARG H H 60 7.995 7.975 0.020 1
1 612 . 16 1 1 A 60 60 ARG HA H 60 3.771 3.821 -0.050 1
1 619 . 16 1 1 A 60 60 ARG C C 60 178.684 178.598 0.086 1
1 620 . 16 1 1 A 60 60 ARG CA C 60 60.646 59.691 0.955 1
1 621 . 16 1 1 A 60 60 ARG CB C 60 29.959 29.998 -0.039 1
1 624 . 16 1 1 A 60 60 ARG N N 60 120.640 122.070 -1.430 1
1 625 . 16 1 1 A 61 61 GLU H H 61 8.929 8.136 0.793 1
1 626 . 16 1 1 A 61 61 GLU HA H 61 4.046 4.187 -0.141 1
1 631 . 16 1 1 A 61 61 GLU C C 61 179.024 179.262 -0.238 1
1 632 . 16 1 1 A 61 61 GLU CA C 61 59.775 58.259 1.516 1
1 633 . 16 1 1 A 61 61 GLU CB C 61 28.926 29.450 -0.524 1
1 635 . 16 1 1 A 61 61 GLU N N 61 117.239 118.892 -1.653 1
1 636 . 16 1 1 A 62 62 GLU H H 62 8.182 7.999 0.183 1
1 637 . 16 1 1 A 62 62 GLU HA H 62 4.078 4.049 0.029 1
1 642 . 16 1 1 A 62 62 GLU C C 62 179.242 179.046 0.196 1
1 643 . 16 1 1 A 62 62 GLU CA C 62 59.317 59.095 0.222 1
1 644 . 16 1 1 A 62 62 GLU CB C 62 28.864 29.620 -0.756 1
1 646 . 16 1 1 A 62 62 GLU N N 62 120.004 119.949 0.055 1
1 647 . 16 1 1 A 63 63 LEU H H 63 7.849 8.286 -0.437 1
1 648 . 16 1 1 A 63 63 LEU HA H 63 4.158 4.062 0.096 1
1 658 . 16 1 1 A 63 63 LEU C C 63 179.679 178.998 0.681 1
1 659 . 16 1 1 A 63 63 LEU CA C 63 57.449 57.913 -0.464 1
1 660 . 16 1 1 A 63 63 LEU CB C 63 41.552 41.739 -0.187 1
1 664 . 16 1 1 A 63 63 LEU N N 63 119.191 120.411 -1.220 1
1 665 . 16 1 1 A 64 64 GLU H H 64 8.097 8.102 -0.005 1
1 666 . 16 1 1 A 64 64 GLU HA H 64 4.113 3.973 0.140 1
1 671 . 16 1 1 A 64 64 GLU C C 64 178.951 179.170 -0.219 1
1 672 . 16 1 1 A 64 64 GLU CA C 64 58.480 59.840 -1.360 1
1 673 . 16 1 1 A 64 64 GLU CB C 64 29.548 29.223 0.325 1
1 675 . 16 1 1 A 64 64 GLU N N 64 118.834 117.313 1.521 1
1 676 . 16 1 1 A 65 65 LYS H H 65 7.854 7.962 -0.108 1
1 677 . 16 1 1 A 65 65 LYS HA H 65 4.197 4.092 0.105 1
1 685 . 16 1 1 A 65 65 LYS C C 65 177.713 177.985 -0.272 1
1 686 . 16 1 1 A 65 65 LYS CA C 65 58.154 59.143 -0.989 1
1 687 . 16 1 1 A 65 65 LYS CB C 65 32.614 32.002 0.612 1
1 691 . 16 1 1 A 65 65 LYS N N 65 119.350 121.224 -1.874 1
1 692 . 16 1 1 A 66 66 SER H H 66 7.816 7.544 0.272 1
1 693 . 16 1 1 A 66 66 SER HA H 66 4.457 4.497 -0.040 1
1 696 . 16 1 1 A 66 66 SER C C 66 174.751 173.395 1.356 1
1 697 . 16 1 1 A 66 66 SER CA C 66 58.864 58.336 0.528 1
1 698 . 16 1 1 A 66 66 SER CB C 66 64.180 63.515 0.665 1
1 699 . 16 1 1 A 66 66 SER N N 66 113.693 111.835 1.858 1
1 700 . 16 1 1 A 67 67 GLY H H 67 7.959 7.893 0.066 1
1 701 . 16 1 1 A 67 67 GLY HA2 H 67 4.036 3.814 0.222 1
1 702 . 16 1 1 A 67 67 GLY HA3 H 67 3.924 3.865 0.059 1
1 703 . 16 1 1 A 67 67 GLY C C 67 174.775 174.666 0.109 1
1 704 . 16 1 1 A 67 67 GLY CA C 67 45.678 46.923 -1.245 1
1 705 . 16 1 1 A 67 67 GLY N N 67 108.980 109.612 -0.632 1
1 706 . 16 1 1 A 68 68 HIS H H 68 8.148 8.303 -0.155 1
1 707 . 16 1 1 A 68 68 HIS HA H 68 4.861 4.681 0.180 1
1 712 . 16 1 1 A 68 68 HIS C C 68 176.159 176.180 -0.021 1
1 713 . 16 1 1 A 68 68 HIS CA C 68 56.004 57.819 -1.815 1
1 714 . 16 1 1 A 68 68 HIS CB C 68 31.585 30.683 0.902 1
1 717 . 16 1 1 A 68 68 HIS N N 68 119.127 116.335 2.792 1
1 718 . 16 1 1 A 69 69 GLY H H 69 8.610 8.250 0.360 1
1 719 . 16 1 1 A 69 69 GLY HA2 H 69 3.903 3.778 0.125 1
1 720 . 16 1 1 A 69 69 GLY HA3 H 69 3.903 3.806 0.097 1
1 721 . 16 1 1 A 69 69 GLY C C 69 174.290 175.048 -0.758 1
1 722 . 16 1 1 A 69 69 GLY CA C 69 45.890 47.260 -1.370 1
1 723 . 16 1 1 A 69 69 GLY N N 69 109.663 107.304 2.359 1
1 724 . 16 1 1 A 70 70 GLN H H 70 8.325 8.631 -0.306 1
1 725 . 16 1 1 A 70 70 GLN HA H 70 4.396 4.437 -0.041 1
1 732 . 16 1 1 A 70 70 GLN C C 70 176.208 175.335 0.873 1
1 733 . 16 1 1 A 70 70 GLN CA C 70 55.616 55.541 0.075 1
1 734 . 16 1 1 A 70 70 GLN CB C 70 29.441 28.465 0.976 1
1 736 . 16 1 1 A 70 70 GLN N N 70 119.031 126.286 -7.255 1
1 738 . 16 1 1 A 71 71 SER HA H 71 4.466 4.133 0.333 1
1 741 . 16 1 1 A 71 71 SER C C 71 174.096 174.662 -0.566 1
1 742 . 16 1 1 A 71 71 SER CA C 71 58.506 60.353 -1.847 1
1 743 . 16 1 1 A 71 71 SER CB C 71 64.126 62.796 1.330 1
1 744 . 16 1 1 A 72 72 GLY H H 72 8.136 8.437 -0.301 1
1 745 . 16 1 1 A 72 72 GLY HA2 H 72 3.776 3.946 -0.170 1
1 746 . 16 1 1 A 72 72 GLY HA3 H 72 3.703 4.002 -0.299 1
1 747 . 16 1 1 A 72 72 GLY C C 72 171.644 172.470 -0.826 1
1 748 . 16 1 1 A 72 72 GLY CA C 72 44.304 44.187 0.117 1
1 749 . 16 1 1 A 72 72 GLY N N 72 110.082 111.469 -1.387 1
1 750 . 16 1 1 A 73 73 PRO HA H 73 4.408 4.548 -0.140 1
1 757 . 16 1 1 A 73 73 PRO C C 73 175.067 176.610 -1.543 1
1 758 . 16 1 1 A 73 73 PRO CA C 73 63.151 62.464 0.687 1
1 759 . 16 1 1 A 73 73 PRO CB C 73 32.225 32.578 -0.353 1
1 763 . 16 1 1 A 74 74 SER CA C 74 58.647 59.764 -1.117 1
1 1 . 17 1 1 A 7 7 GLY HA2 H 7 4.246 4.094 0.152 1
1 2 . 17 1 1 A 7 7 GLY HA3 H 7 4.111 4.094 0.017 1
1 3 . 17 1 1 A 7 7 GLY CA C 7 46.145 46.192 -0.047 1
1 4 . 17 1 1 A 8 8 SER HA H 8 4.472 4.362 0.110 1
1 7 . 17 1 1 A 8 8 SER C C 8 175.844 174.821 1.023 1
1 8 . 17 1 1 A 8 8 SER CA C 8 60.307 59.435 0.872 1
1 9 . 17 1 1 A 8 8 SER CB C 8 63.621 62.089 1.532 1
1 10 . 17 1 1 A 9 9 GLU H H 9 9.766 8.503 1.263 1
1 11 . 17 1 1 A 9 9 GLU HA H 9 4.354 4.360 -0.006 1
1 16 . 17 1 1 A 9 9 GLU C C 9 177.495 178.932 -1.437 1
1 17 . 17 1 1 A 9 9 GLU CA C 9 58.823 58.961 -0.138 1
1 18 . 17 1 1 A 9 9 GLU CB C 9 29.080 29.706 -0.626 1
1 20 . 17 1 1 A 9 9 GLU N N 9 124.626 120.674 3.952 1
1 21 . 17 1 1 A 10 10 ALA H H 10 7.788 8.157 -0.369 1
1 22 . 17 1 1 A 10 10 ALA HA H 10 3.387 3.925 -0.538 1
1 26 . 17 1 1 A 10 10 ALA C C 10 179.145 179.567 -0.422 1
1 27 . 17 1 1 A 10 10 ALA CA C 10 54.588 54.441 0.147 1
1 28 . 17 1 1 A 10 10 ALA CB C 10 17.451 17.438 0.013 1
1 29 . 17 1 1 A 10 10 ALA N N 10 120.412 120.893 -0.481 1
1 30 . 17 1 1 A 11 11 TRP H H 11 7.481 8.037 -0.556 1
1 31 . 17 1 1 A 11 11 TRP HA H 11 4.440 4.626 -0.186 1
1 40 . 17 1 1 A 11 11 TRP C C 11 177.373 178.987 -1.614 1
1 41 . 17 1 1 A 11 11 TRP CA C 11 59.460 59.727 -0.267 1
1 42 . 17 1 1 A 11 11 TRP CB C 11 29.033 29.330 -0.297 1
1 48 . 17 1 1 A 11 11 TRP N N 11 113.286 117.914 -4.628 1
1 50 . 17 1 1 A 12 12 GLU H H 12 7.771 9.026 -1.255 1
1 51 . 17 1 1 A 12 12 GLU HA H 12 4.100 4.053 0.047 1
1 56 . 17 1 1 A 12 12 GLU C C 12 177.543 177.291 0.252 1
1 57 . 17 1 1 A 12 12 GLU CA C 12 58.195 59.329 -1.134 1
1 58 . 17 1 1 A 12 12 GLU CB C 12 29.265 28.953 0.312 1
1 60 . 17 1 1 A 12 12 GLU N N 12 117.805 119.490 -1.685 1
1 61 . 17 1 1 A 13 13 TYR H H 13 7.748 8.310 -0.562 1
1 62 . 17 1 1 A 13 13 TYR HA H 13 4.181 4.551 -0.370 1
1 69 . 17 1 1 A 13 13 TYR C C 13 172.809 174.825 -2.016 1
1 70 . 17 1 1 A 13 13 TYR CA C 13 58.524 57.531 0.993 1
1 71 . 17 1 1 A 13 13 TYR CB C 13 40.503 38.330 2.173 1
1 76 . 17 1 1 A 13 13 TYR N N 13 114.665 115.635 -0.970 1
1 77 . 17 1 1 A 14 14 PHE H H 14 7.590 8.000 -0.410 1
1 78 . 17 1 1 A 14 14 PHE HA H 14 5.336 5.618 -0.282 1
1 86 . 17 1 1 A 14 14 PHE C C 14 174.508 174.712 -0.204 1
1 87 . 17 1 1 A 14 14 PHE CA C 14 56.895 56.677 0.218 1
1 88 . 17 1 1 A 14 14 PHE CB C 14 45.117 43.403 1.714 1
1 94 . 17 1 1 A 14 14 PHE N N 14 115.479 118.427 -2.948 1
1 95 . 17 1 1 A 15 15 HIS H H 15 9.046 9.448 -0.402 1
1 96 . 17 1 1 A 15 15 HIS HA H 15 5.111 5.618 -0.507 1
1 101 . 17 1 1 A 15 15 HIS C C 15 175.455 173.860 1.595 1
1 102 . 17 1 1 A 15 15 HIS CA C 15 54.841 53.992 0.849 1
1 103 . 17 1 1 A 15 15 HIS CB C 15 33.210 32.927 0.283 1
1 106 . 17 1 1 A 15 15 HIS N N 15 118.065 117.929 0.136 1
1 107 . 17 1 1 A 16 16 LEU H H 16 8.899 9.059 -0.160 1
1 108 . 17 1 1 A 16 16 LEU HA H 16 4.624 4.262 0.362 1
1 118 . 17 1 1 A 16 16 LEU C C 16 176.256 177.132 -0.876 1
1 119 . 17 1 1 A 16 16 LEU CA C 16 54.947 55.320 -0.373 1
1 120 . 17 1 1 A 16 16 LEU CB C 16 42.540 42.122 0.418 1
1 124 . 17 1 1 A 16 16 LEU N N 16 125.895 126.194 -0.299 1
1 125 . 17 1 1 A 17 17 ALA H H 17 8.412 8.579 -0.167 1
1 126 . 17 1 1 A 17 17 ALA HA H 17 4.574 4.984 -0.410 1
1 130 . 17 1 1 A 17 17 ALA C C 17 175.188 175.704 -0.516 1
1 131 . 17 1 1 A 17 17 ALA CA C 17 50.400 50.139 0.261 1
1 132 . 17 1 1 A 17 17 ALA CB C 17 18.205 19.984 -1.779 1
1 133 . 17 1 1 A 17 17 ALA N N 17 128.151 126.976 1.175 1
1 134 . 17 1 1 A 18 18 PRO HA H 18 4.373 4.734 -0.361 1
1 141 . 17 1 1 A 18 18 PRO C C 18 176.621 175.677 0.944 1
1 142 . 17 1 1 A 18 18 PRO CA C 18 62.911 62.502 0.409 1
1 143 . 17 1 1 A 18 18 PRO CB C 18 32.105 32.824 -0.719 1
1 146 . 17 1 1 A 19 19 ALA H H 19 8.434 8.534 -0.100 1
1 147 . 17 1 1 A 19 19 ALA HA H 19 4.300 4.852 -0.552 1
1 151 . 17 1 1 A 19 19 ALA C C 19 177.834 177.566 0.268 1
1 152 . 17 1 1 A 19 19 ALA CA C 19 52.515 50.917 1.598 1
1 153 . 17 1 1 A 19 19 ALA CB C 19 19.359 21.597 -2.238 1
1 154 . 17 1 1 A 19 19 ALA N N 19 125.267 123.519 1.748 1
1 155 . 17 1 1 A 20 20 ARG H H 20 8.450 8.660 -0.210 1
1 156 . 17 1 1 A 20 20 ARG HA H 20 4.366 4.347 0.019 1
1 163 . 17 1 1 A 20 20 ARG C C 20 175.795 175.383 0.412 1
1 164 . 17 1 1 A 20 20 ARG CA C 20 55.405 56.425 -1.020 1
1 165 . 17 1 1 A 20 20 ARG CB C 20 31.685 29.960 1.725 1
1 168 . 17 1 1 A 20 20 ARG N N 20 121.353 120.157 1.196 1
1 169 . 17 1 1 A 21 21 ALA HA H 21 4.229 4.430 -0.201 1
1 173 . 17 1 1 A 21 21 ALA CA C 21 53.263 51.118 2.145 1
1 174 . 17 1 1 A 21 21 ALA CB C 21 18.577 21.830 -3.253 1
1 175 . 17 1 1 A 22 22 GLY C C 22 175.407 175.382 0.025 1
1 176 . 17 1 1 A 23 23 HIS HA H 23 4.768 4.486 0.282 1
1 181 . 17 1 1 A 23 23 HIS C C 23 178.611 175.823 2.788 1
1 182 . 17 1 1 A 23 23 HIS CA C 23 55.004 57.050 -2.046 1
1 183 . 17 1 1 A 23 23 HIS CB C 23 30.750 30.746 0.004 1
1 186 . 17 1 1 A 24 24 HIS HA H 24 4.673 4.295 0.378 1
1 191 . 17 1 1 A 24 24 HIS C C 24 179.801 175.578 4.223 1
1 192 . 17 1 1 A 24 24 HIS CA C 24 55.610 55.148 0.462 1
1 193 . 17 1 1 A 24 24 HIS CB C 24 31.802 30.475 1.327 1
1 196 . 17 1 1 A 25 25 PRO HA H 25 4.429 4.358 0.071 1
1 203 . 17 1 1 A 25 25 PRO C C 25 176.888 176.647 0.241 1
1 204 . 17 1 1 A 25 25 PRO CA C 25 63.902 64.562 -0.660 1
1 205 . 17 1 1 A 25 25 PRO CB C 25 32.124 31.897 0.227 1
1 208 . 17 1 1 A 26 26 ASN H H 26 9.047 7.985 1.062 1
1 209 . 17 1 1 A 26 26 ASN HA H 26 4.788 5.072 -0.284 1
1 214 . 17 1 1 A 26 26 ASN C C 26 175.140 175.716 -0.576 1
1 215 . 17 1 1 A 26 26 ASN CA C 26 53.185 52.209 0.976 1
1 216 . 17 1 1 A 26 26 ASN CB C 26 38.696 36.868 1.828 1
1 217 . 17 1 1 A 26 26 ASN N N 26 118.042 116.904 1.138 1
1 219 . 17 1 1 A 27 27 GLN H H 27 8.231 8.319 -0.088 1
1 220 . 17 1 1 A 27 27 GLN HA H 27 4.226 4.451 -0.225 1
1 227 . 17 1 1 A 27 27 GLN C C 27 175.212 174.937 0.275 1
1 228 . 17 1 1 A 27 27 GLN CA C 27 57.149 57.486 -0.337 1
1 229 . 17 1 1 A 27 27 GLN CB C 27 29.741 29.271 0.470 1
1 231 . 17 1 1 A 27 27 GLN N N 27 119.679 119.817 -0.138 1
1 233 . 17 1 1 A 28 28 TYR H H 28 8.059 7.800 0.259 1
1 234 . 17 1 1 A 28 28 TYR HA H 28 5.109 5.222 -0.113 1
1 241 . 17 1 1 A 28 28 TYR C C 28 174.290 174.617 -0.327 1
1 242 . 17 1 1 A 28 28 TYR CA C 28 56.779 56.607 0.172 1
1 243 . 17 1 1 A 28 28 TYR CB C 28 41.333 42.590 -1.257 1
1 248 . 17 1 1 A 28 28 TYR N N 28 116.269 117.505 -1.236 1
1 249 . 17 1 1 A 29 29 ALA H H 29 8.837 9.046 -0.209 1
1 250 . 17 1 1 A 29 29 ALA HA H 29 5.054 5.474 -0.420 1
1 254 . 17 1 1 A 29 29 ALA C C 29 175.795 175.826 -0.031 1
1 255 . 17 1 1 A 29 29 ALA CA C 29 50.612 50.373 0.239 1
1 256 . 17 1 1 A 29 29 ALA CB C 29 23.046 22.698 0.348 1
1 257 . 17 1 1 A 29 29 ALA N N 29 123.222 122.590 0.632 1
1 258 . 17 1 1 A 30 30 THR H H 30 9.217 8.807 0.410 1
1 259 . 17 1 1 A 30 30 THR HA H 30 4.828 4.822 0.006 1
1 264 . 17 1 1 A 30 30 THR C C 30 173.659 173.913 -0.254 1
1 265 . 17 1 1 A 30 30 THR CA C 30 62.383 61.926 0.457 1
1 266 . 17 1 1 A 30 30 THR CB C 30 70.058 69.334 0.724 1
1 268 . 17 1 1 A 30 30 THR N N 30 119.265 117.573 1.692 1
1 269 . 17 1 1 A 31 31 CYS H H 31 8.927 8.827 0.100 1
1 270 . 17 1 1 A 31 31 CYS HA H 31 3.606 3.954 -0.348 1
1 273 . 17 1 1 A 31 31 CYS C C 31 177.956 175.910 2.046 1
1 274 . 17 1 1 A 31 31 CYS CA C 31 59.743 59.566 0.177 1
1 275 . 17 1 1 A 31 31 CYS CB C 31 29.971 28.219 1.752 1
1 276 . 17 1 1 A 31 31 CYS N N 31 130.893 126.587 4.306 1
1 277 . 17 1 1 A 32 32 ARG H H 32 9.393 8.781 0.612 1
1 278 . 17 1 1 A 32 32 ARG HA H 32 4.043 4.232 -0.189 1
1 285 . 17 1 1 A 32 32 ARG C C 32 176.693 177.229 -0.536 1
1 286 . 17 1 1 A 32 32 ARG CA C 32 58.471 58.148 0.323 1
1 287 . 17 1 1 A 32 32 ARG CB C 32 30.553 30.006 0.547 1
1 290 . 17 1 1 A 32 32 ARG N N 32 130.594 128.056 2.538 1
1 291 . 17 1 1 A 33 33 LEU H H 33 9.135 7.536 1.599 1
1 292 . 17 1 1 A 33 33 LEU HA H 33 4.243 4.102 0.141 1
1 302 . 17 1 1 A 33 33 LEU C C 33 178.150 178.405 -0.255 1
1 303 . 17 1 1 A 33 33 LEU CA C 33 56.709 57.477 -0.768 1
1 304 . 17 1 1 A 33 33 LEU CB C 33 41.387 42.489 -1.102 1
1 308 . 17 1 1 A 33 33 LEU N N 33 121.037 117.931 3.106 1
1 309 . 17 1 1 A 34 34 CYS H H 34 8.186 8.016 0.170 1
1 310 . 17 1 1 A 34 34 CYS HA H 34 5.200 4.697 0.503 1
1 313 . 17 1 1 A 34 34 CYS C C 34 176.329 175.659 0.670 1
1 314 . 17 1 1 A 34 34 CYS CA C 34 58.365 59.556 -1.191 1
1 315 . 17 1 1 A 34 34 CYS CB C 34 32.799 30.038 2.761 1
1 316 . 17 1 1 A 34 34 CYS N N 34 115.308 113.151 2.157 1
1 317 . 17 1 1 A 35 35 GLY H H 35 8.027 8.154 -0.127 1
1 318 . 17 1 1 A 35 35 GLY HA2 H 35 3.808 3.973 -0.165 1
1 319 . 17 1 1 A 35 35 GLY HA3 H 35 4.196 3.983 0.213 1
1 320 . 17 1 1 A 35 35 GLY C C 35 173.683 174.170 -0.487 1
1 321 . 17 1 1 A 35 35 GLY CA C 35 46.313 45.486 0.827 1
1 322 . 17 1 1 A 35 35 GLY N N 35 113.546 110.499 3.047 1
1 323 . 17 1 1 A 36 36 ARG H H 36 8.272 7.193 1.079 1
1 324 . 17 1 1 A 36 36 ARG HA H 36 4.273 4.558 -0.285 1
1 331 . 17 1 1 A 36 36 ARG C C 36 175.625 176.133 -0.508 1
1 332 . 17 1 1 A 36 36 ARG CA C 36 56.774 54.818 1.956 1
1 333 . 17 1 1 A 36 36 ARG CB C 36 31.112 31.757 -0.645 1
1 336 . 17 1 1 A 36 36 ARG N N 36 121.138 119.556 1.582 1
1 337 . 17 1 1 A 37 37 GLN H H 37 8.509 8.528 -0.019 1
1 338 . 17 1 1 A 37 37 GLN HA H 37 4.888 5.136 -0.248 1
1 345 . 17 1 1 A 37 37 GLN C C 37 176.184 174.983 1.201 1
1 346 . 17 1 1 A 37 37 GLN CA C 37 55.475 55.898 -0.423 1
1 347 . 17 1 1 A 37 37 GLN CB C 37 29.426 29.399 0.027 1
1 349 . 17 1 1 A 37 37 GLN N N 37 120.322 121.460 -1.138 1
1 351 . 17 1 1 A 38 38 VAL H H 38 9.281 9.167 0.114 1
1 352 . 17 1 1 A 38 38 VAL HA H 38 4.216 4.753 -0.537 1
1 360 . 17 1 1 A 38 38 VAL C C 38 174.848 174.410 0.438 1
1 361 . 17 1 1 A 38 38 VAL CA C 38 61.243 60.883 0.360 1
1 362 . 17 1 1 A 38 38 VAL CB C 38 34.146 34.680 -0.534 1
1 365 . 17 1 1 A 38 38 VAL N N 38 125.546 125.632 -0.086 1
1 366 . 17 1 1 A 39 39 SER H H 39 8.590 8.925 -0.335 1
1 367 . 17 1 1 A 39 39 SER HA H 39 4.348 4.498 -0.150 1
1 370 . 17 1 1 A 39 39 SER C C 39 174.800 174.209 0.591 1
1 371 . 17 1 1 A 39 39 SER CA C 39 57.731 57.083 0.648 1
1 372 . 17 1 1 A 39 39 SER CB C 39 64.121 64.225 -0.104 1
1 373 . 17 1 1 A 39 39 SER N N 39 120.236 121.824 -1.588 1
1 374 . 17 1 1 A 40 40 ARG H H 40 8.684 8.684 0.000 1
1 375 . 17 1 1 A 40 40 ARG HA H 40 4.189 4.413 -0.224 1
1 382 . 17 1 1 A 40 40 ARG C C 40 176.062 177.297 -1.235 1
1 383 . 17 1 1 A 40 40 ARG CA C 40 56.674 56.700 -0.026 1
1 384 . 17 1 1 A 40 40 ARG CB C 40 31.302 31.408 -0.106 1
1 387 . 17 1 1 A 40 40 ARG N N 40 123.390 122.553 0.837 1
1 388 . 17 1 1 A 41 41 GLY H H 41 7.970 7.833 0.137 1
1 389 . 17 1 1 A 41 41 GLY HA2 H 41 3.920 4.057 -0.137 1
1 390 . 17 1 1 A 41 41 GLY HA3 H 41 4.216 4.066 0.150 1
1 391 . 17 1 1 A 41 41 GLY C C 41 171.037 173.338 -2.301 1
1 392 . 17 1 1 A 41 41 GLY CA C 41 44.269 44.639 -0.370 1
1 393 . 17 1 1 A 41 41 GLY N N 41 107.997 105.841 2.156 1
1 394 . 17 1 1 A 42 42 PRO HA H 42 4.462 4.211 0.251 1
1 401 . 17 1 1 A 42 42 PRO C C 42 176.451 177.397 -0.946 1
1 402 . 17 1 1 A 42 42 PRO CA C 42 63.179 63.741 -0.562 1
1 403 . 17 1 1 A 42 42 PRO CB C 42 32.144 31.355 0.789 1
1 406 . 17 1 1 A 43 43 GLY H H 43 8.388 8.735 -0.347 1
1 407 . 17 1 1 A 43 43 GLY HA2 H 43 4.065 3.909 0.156 1
1 408 . 17 1 1 A 43 43 GLY HA3 H 43 3.808 3.913 -0.105 1
1 409 . 17 1 1 A 43 43 GLY CA C 43 45.278 45.351 -0.073 1
1 410 . 17 1 1 A 43 43 GLY N N 43 109.409 112.410 -3.001 1
1 411 . 17 1 1 A 44 44 VAL H H 44 7.913 7.558 0.355 1
1 412 . 17 1 1 A 44 44 VAL HA H 44 4.107 3.981 0.126 1
1 420 . 17 1 1 A 44 44 VAL CA C 44 62.352 63.943 -1.591 1
1 421 . 17 1 1 A 44 44 VAL CB C 44 32.777 31.863 0.914 1
1 424 . 17 1 1 A 44 44 VAL N N 44 117.689 121.588 -3.899 1
1 425 . 17 1 1 A 45 45 ASN HA H 45 4.713 4.616 0.097 1
1 430 . 17 1 1 A 45 45 ASN CA C 45 53.201 55.959 -2.758 1
1 431 . 17 1 1 A 45 45 ASN CB C 45 38.671 37.863 0.808 1
1 433 . 17 1 1 A 46 46 VAL H H 46 7.994 7.745 0.249 1
1 434 . 17 1 1 A 46 46 VAL HA H 46 4.148 4.651 -0.503 1
1 439 . 17 1 1 A 46 46 VAL C C 46 177.834 174.522 3.312 1
1 440 . 17 1 1 A 46 46 VAL CA C 46 62.726 59.893 2.833 1
1 441 . 17 1 1 A 46 46 VAL CB C 46 32.476 34.241 -1.765 1
1 443 . 17 1 1 A 46 46 VAL N N 46 118.432 117.526 0.906 1
1 444 . 17 1 1 A 47 47 GLY HA2 H 47 3.702 4.124 -0.422 1
1 445 . 17 1 1 A 47 47 GLY HA3 H 47 4.104 4.134 -0.030 1
1 446 . 17 1 1 A 47 47 GLY C C 47 173.950 173.269 0.681 1
1 447 . 17 1 1 A 47 47 GLY CA C 47 45.202 44.163 1.039 1
1 448 . 17 1 1 A 48 48 THR H H 48 8.238 8.593 -0.355 1
1 449 . 17 1 1 A 48 48 THR HA H 48 4.066 4.087 -0.021 1
1 454 . 17 1 1 A 48 48 THR C C 48 175.919 174.682 1.237 1
1 455 . 17 1 1 A 48 48 THR CA C 48 67.178 64.227 2.951 1
1 456 . 17 1 1 A 48 48 THR CB C 48 68.681 68.572 0.109 1
1 458 . 17 1 1 A 48 48 THR N N 48 118.267 116.045 2.222 1
1 459 . 17 1 1 A 49 49 THR HA H 49 3.981 4.147 -0.166 1
1 464 . 17 1 1 A 49 49 THR CA C 49 62.689 64.352 -1.663 1
1 465 . 17 1 1 A 49 49 THR CB C 49 69.410 68.997 0.413 1
1 467 . 17 1 1 A 50 50 ALA HA H 50 4.091 3.915 0.176 1
1 471 . 17 1 1 A 50 50 ALA C C 50 180.456 179.552 0.904 1
1 472 . 17 1 1 A 50 50 ALA CA C 50 55.053 55.415 -0.362 1
1 473 . 17 1 1 A 50 50 ALA CB C 50 18.859 18.266 0.593 1
1 474 . 17 1 1 A 51 51 LEU H H 51 7.042 7.527 -0.485 1
1 475 . 17 1 1 A 51 51 LEU HA H 51 3.446 3.303 0.143 1
1 485 . 17 1 1 A 51 51 LEU C C 51 179.170 179.389 -0.219 1
1 486 . 17 1 1 A 51 51 LEU CA C 51 57.395 57.360 0.035 1
1 487 . 17 1 1 A 51 51 LEU CB C 51 39.050 41.286 -2.236 1
1 491 . 17 1 1 A 51 51 LEU N N 51 117.051 118.347 -1.296 1
1 492 . 17 1 1 A 52 52 TRP H H 52 7.992 8.465 -0.473 1
1 493 . 17 1 1 A 52 52 TRP HA H 52 4.412 4.375 0.037 1
1 502 . 17 1 1 A 52 52 TRP C C 52 178.636 179.152 -0.516 1
1 503 . 17 1 1 A 52 52 TRP CA C 52 60.762 60.163 0.599 1
1 504 . 17 1 1 A 52 52 TRP CB C 52 29.830 29.129 0.701 1
1 510 . 17 1 1 A 52 52 TRP N N 52 118.438 118.629 -0.191 1
1 512 . 17 1 1 A 53 53 LYS H H 53 8.239 7.946 0.293 1
1 513 . 17 1 1 A 53 53 LYS HA H 53 4.077 4.093 -0.016 1
1 522 . 17 1 1 A 53 53 LYS C C 53 179.777 178.946 0.831 1
1 523 . 17 1 1 A 53 53 LYS CA C 53 59.864 59.335 0.529 1
1 524 . 17 1 1 A 53 53 LYS CB C 53 32.077 32.249 -0.172 1
1 528 . 17 1 1 A 53 53 LYS N N 53 118.342 118.887 -0.545 1
1 529 . 17 1 1 A 54 54 HIS H H 54 7.592 7.883 -0.291 1
1 530 . 17 1 1 A 54 54 HIS HA H 54 4.351 4.303 0.048 1
1 535 . 17 1 1 A 54 54 HIS C C 54 176.499 177.212 -0.713 1
1 536 . 17 1 1 A 54 54 HIS CA C 54 60.409 59.216 1.193 1
1 537 . 17 1 1 A 54 54 HIS CB C 54 28.701 30.009 -1.308 1
1 540 . 17 1 1 A 54 54 HIS N N 54 117.948 121.509 -3.561 1
1 541 . 17 1 1 A 55 55 LEU H H 55 8.223 8.619 -0.396 1
1 542 . 17 1 1 A 55 55 LEU HA H 55 3.829 3.976 -0.147 1
1 552 . 17 1 1 A 55 55 LEU C C 55 178.587 179.461 -0.874 1
1 553 . 17 1 1 A 55 55 LEU CA C 55 58.492 58.230 0.262 1
1 554 . 17 1 1 A 55 55 LEU CB C 55 42.293 41.489 0.804 1
1 558 . 17 1 1 A 55 55 LEU N N 55 118.224 119.947 -1.723 1
1 559 . 17 1 1 A 56 56 LYS H H 56 8.795 8.350 0.445 1
1 560 . 17 1 1 A 56 56 LYS HA H 56 3.823 4.265 -0.442 1
1 569 . 17 1 1 A 56 56 LYS C C 56 177.664 178.004 -0.340 1
1 570 . 17 1 1 A 56 56 LYS CA C 56 58.999 58.671 0.328 1
1 571 . 17 1 1 A 56 56 LYS CB C 56 32.395 32.205 0.190 1
1 575 . 17 1 1 A 56 56 LYS N N 56 115.460 117.713 -2.253 1
1 576 . 17 1 1 A 57 57 SER H H 57 7.600 8.031 -0.431 1
1 577 . 17 1 1 A 57 57 SER HA H 57 4.353 4.323 0.030 1
1 580 . 17 1 1 A 57 57 SER C C 57 176.451 175.874 0.577 1
1 581 . 17 1 1 A 57 57 SER CA C 57 60.480 61.283 -0.803 1
1 582 . 17 1 1 A 57 57 SER CB C 57 63.879 63.695 0.184 1
1 583 . 17 1 1 A 57 57 SER N N 57 110.773 116.105 -5.332 1
1 584 . 17 1 1 A 58 58 MET H H 58 7.685 7.735 -0.050 1
1 585 . 17 1 1 A 58 58 MET HA H 58 4.555 4.515 0.040 1
1 593 . 17 1 1 A 58 58 MET C C 58 176.645 177.217 -0.572 1
1 594 . 17 1 1 A 58 58 MET CA C 58 55.158 55.535 -0.377 1
1 595 . 17 1 1 A 58 58 MET CB C 58 32.427 33.732 -1.305 1
1 598 . 17 1 1 A 58 58 MET N N 58 115.874 116.171 -0.297 1
1 599 . 17 1 1 A 59 59 HIS H H 59 7.685 7.925 -0.240 1
1 600 . 17 1 1 A 59 59 HIS HA H 59 5.357 4.698 0.659 1
1 605 . 17 1 1 A 59 59 HIS C C 59 175.140 175.572 -0.432 1
1 606 . 17 1 1 A 59 59 HIS CA C 59 53.114 55.700 -2.586 1
1 607 . 17 1 1 A 59 59 HIS CB C 59 29.080 29.191 -0.111 1
1 610 . 17 1 1 A 59 59 HIS N N 59 117.346 116.471 0.875 1
1 611 . 17 1 1 A 60 60 ARG H H 60 7.995 8.006 -0.011 1
1 612 . 17 1 1 A 60 60 ARG HA H 60 3.771 3.817 -0.046 1
1 619 . 17 1 1 A 60 60 ARG C C 60 178.684 178.371 0.313 1
1 620 . 17 1 1 A 60 60 ARG CA C 60 60.646 59.603 1.043 1
1 621 . 17 1 1 A 60 60 ARG CB C 60 29.959 30.082 -0.123 1
1 624 . 17 1 1 A 60 60 ARG N N 60 120.640 122.043 -1.403 1
1 625 . 17 1 1 A 61 61 GLU H H 61 8.929 8.019 0.910 1
1 626 . 17 1 1 A 61 61 GLU HA H 61 4.046 4.147 -0.101 1
1 631 . 17 1 1 A 61 61 GLU C C 61 179.024 179.266 -0.242 1
1 632 . 17 1 1 A 61 61 GLU CA C 61 59.775 59.301 0.474 1
1 633 . 17 1 1 A 61 61 GLU CB C 61 28.926 29.444 -0.518 1
1 635 . 17 1 1 A 61 61 GLU N N 61 117.239 119.252 -2.013 1
1 636 . 17 1 1 A 62 62 GLU H H 62 8.182 7.966 0.216 1
1 637 . 17 1 1 A 62 62 GLU HA H 62 4.078 4.036 0.042 1
1 642 . 17 1 1 A 62 62 GLU C C 62 179.242 179.386 -0.144 1
1 643 . 17 1 1 A 62 62 GLU CA C 62 59.317 59.169 0.148 1
1 644 . 17 1 1 A 62 62 GLU CB C 62 28.864 29.398 -0.534 1
1 646 . 17 1 1 A 62 62 GLU N N 62 120.004 120.662 -0.658 1
1 647 . 17 1 1 A 63 63 LEU H H 63 7.849 8.157 -0.308 1
1 648 . 17 1 1 A 63 63 LEU HA H 63 4.158 3.782 0.376 1
1 658 . 17 1 1 A 63 63 LEU C C 63 179.679 178.760 0.919 1
1 659 . 17 1 1 A 63 63 LEU CA C 63 57.449 57.890 -0.441 1
1 660 . 17 1 1 A 63 63 LEU CB C 63 41.552 41.623 -0.071 1
1 664 . 17 1 1 A 63 63 LEU N N 63 119.191 120.165 -0.974 1
1 665 . 17 1 1 A 64 64 GLU H H 64 8.097 8.113 -0.016 1
1 666 . 17 1 1 A 64 64 GLU HA H 64 4.113 3.985 0.128 1
1 671 . 17 1 1 A 64 64 GLU C C 64 178.951 179.414 -0.463 1
1 672 . 17 1 1 A 64 64 GLU CA C 64 58.480 59.743 -1.263 1
1 673 . 17 1 1 A 64 64 GLU CB C 64 29.548 29.328 0.220 1
1 675 . 17 1 1 A 64 64 GLU N N 64 118.834 117.162 1.672 1
1 676 . 17 1 1 A 65 65 LYS H H 65 7.854 7.964 -0.110 1
1 677 . 17 1 1 A 65 65 LYS HA H 65 4.197 4.115 0.082 1
1 685 . 17 1 1 A 65 65 LYS C C 65 177.713 177.398 0.315 1
1 686 . 17 1 1 A 65 65 LYS CA C 65 58.154 59.310 -1.156 1
1 687 . 17 1 1 A 65 65 LYS CB C 65 32.614 32.061 0.553 1
1 691 . 17 1 1 A 65 65 LYS N N 65 119.350 120.222 -0.872 1
1 692 . 17 1 1 A 66 66 SER H H 66 7.816 7.816 0.000 1
1 693 . 17 1 1 A 66 66 SER HA H 66 4.457 4.703 -0.246 1
1 696 . 17 1 1 A 66 66 SER C C 66 174.751 174.594 0.157 1
1 697 . 17 1 1 A 66 66 SER CA C 66 58.864 57.018 1.846 1
1 698 . 17 1 1 A 66 66 SER CB C 66 64.180 62.312 1.868 1
1 699 . 17 1 1 A 66 66 SER N N 66 113.693 114.780 -1.087 1
1 700 . 17 1 1 A 67 67 GLY H H 67 7.959 8.774 -0.815 1
1 701 . 17 1 1 A 67 67 GLY HA2 H 67 4.036 3.943 0.093 1
1 702 . 17 1 1 A 67 67 GLY HA3 H 67 3.924 4.006 -0.082 1
1 703 . 17 1 1 A 67 67 GLY C C 67 174.775 175.493 -0.718 1
1 704 . 17 1 1 A 67 67 GLY CA C 67 45.678 46.896 -1.218 1
1 705 . 17 1 1 A 67 67 GLY N N 67 108.980 115.160 -6.180 1
1 706 . 17 1 1 A 68 68 HIS H H 68 8.148 8.928 -0.780 1
1 707 . 17 1 1 A 68 68 HIS HA H 68 4.861 4.244 0.617 1
1 712 . 17 1 1 A 68 68 HIS C C 68 176.159 174.451 1.708 1
1 713 . 17 1 1 A 68 68 HIS CA C 68 56.004 56.629 -0.625 1
1 714 . 17 1 1 A 68 68 HIS CB C 68 31.585 27.471 4.114 1
1 717 . 17 1 1 A 68 68 HIS N N 68 119.127 122.193 -3.066 1
1 718 . 17 1 1 A 69 69 GLY H H 69 8.610 8.150 0.460 1
1 719 . 17 1 1 A 69 69 GLY HA2 H 69 3.903 3.813 0.090 1
1 720 . 17 1 1 A 69 69 GLY HA3 H 69 3.903 3.822 0.081 1
1 721 . 17 1 1 A 69 69 GLY C C 69 174.290 174.536 -0.246 1
1 722 . 17 1 1 A 69 69 GLY CA C 69 45.890 45.555 0.335 1
1 723 . 17 1 1 A 69 69 GLY N N 69 109.663 106.788 2.875 1
1 724 . 17 1 1 A 70 70 GLN H H 70 8.325 8.996 -0.671 1
1 725 . 17 1 1 A 70 70 GLN HA H 70 4.396 3.864 0.532 1
1 732 . 17 1 1 A 70 70 GLN C C 70 176.208 175.315 0.893 1
1 733 . 17 1 1 A 70 70 GLN CA C 70 55.616 56.558 -0.942 1
1 734 . 17 1 1 A 70 70 GLN CB C 70 29.441 26.099 3.342 1
1 736 . 17 1 1 A 70 70 GLN N N 70 119.031 121.814 -2.783 1
1 738 . 17 1 1 A 71 71 SER HA H 71 4.466 4.189 0.277 1
1 741 . 17 1 1 A 71 71 SER C C 71 174.096 176.497 -2.401 1
1 742 . 17 1 1 A 71 71 SER CA C 71 58.506 60.776 -2.270 1
1 743 . 17 1 1 A 71 71 SER CB C 71 64.126 62.411 1.715 1
1 744 . 17 1 1 A 72 72 GLY H H 72 8.136 7.659 0.477 1
1 745 . 17 1 1 A 72 72 GLY HA2 H 72 3.776 3.229 0.547 1
1 746 . 17 1 1 A 72 72 GLY HA3 H 72 3.703 3.270 0.433 1
1 747 . 17 1 1 A 72 72 GLY C C 72 171.644 174.849 -3.205 1
1 748 . 17 1 1 A 72 72 GLY CA C 72 44.304 47.459 -3.155 1
1 749 . 17 1 1 A 72 72 GLY N N 72 110.082 108.287 1.795 1
1 750 . 17 1 1 A 73 73 PRO HA H 73 4.408 4.296 0.112 1
1 757 . 17 1 1 A 73 73 PRO C C 73 175.067 176.638 -1.571 1
1 758 . 17 1 1 A 73 73 PRO CA C 73 63.151 63.891 -0.740 1
1 759 . 17 1 1 A 73 73 PRO CB C 73 32.225 31.755 0.470 1
1 763 . 17 1 1 A 74 74 SER CA C 74 58.647 59.314 -0.667 1
1 1 . 18 1 1 A 7 7 GLY HA2 H 7 4.246 4.101 0.145 1
1 2 . 18 1 1 A 7 7 GLY HA3 H 7 4.111 4.115 -0.004 1
1 3 . 18 1 1 A 7 7 GLY CA C 7 46.145 46.729 -0.584 1
1 4 . 18 1 1 A 8 8 SER HA H 8 4.472 4.960 -0.488 1
1 7 . 18 1 1 A 8 8 SER C C 8 175.844 174.852 0.992 1
1 8 . 18 1 1 A 8 8 SER CA C 8 60.307 58.210 2.097 1
1 9 . 18 1 1 A 8 8 SER CB C 8 63.621 63.148 0.473 1
1 10 . 18 1 1 A 9 9 GLU H H 9 9.766 8.367 1.399 1
1 11 . 18 1 1 A 9 9 GLU HA H 9 4.354 4.362 -0.008 1
1 16 . 18 1 1 A 9 9 GLU C C 9 177.495 179.016 -1.521 1
1 17 . 18 1 1 A 9 9 GLU CA C 9 58.823 58.794 0.029 1
1 18 . 18 1 1 A 9 9 GLU CB C 9 29.080 29.875 -0.795 1
1 20 . 18 1 1 A 9 9 GLU N N 9 124.626 121.804 2.822 1
1 21 . 18 1 1 A 10 10 ALA H H 10 7.788 8.327 -0.539 1
1 22 . 18 1 1 A 10 10 ALA HA H 10 3.387 3.875 -0.488 1
1 26 . 18 1 1 A 10 10 ALA C C 10 179.145 179.793 -0.648 1
1 27 . 18 1 1 A 10 10 ALA CA C 10 54.588 54.570 0.018 1
1 28 . 18 1 1 A 10 10 ALA CB C 10 17.451 17.313 0.138 1
1 29 . 18 1 1 A 10 10 ALA N N 10 120.412 121.313 -0.901 1
1 30 . 18 1 1 A 11 11 TRP H H 11 7.481 8.022 -0.541 1
1 31 . 18 1 1 A 11 11 TRP HA H 11 4.440 4.649 -0.209 1
1 40 . 18 1 1 A 11 11 TRP C C 11 177.373 179.117 -1.744 1
1 41 . 18 1 1 A 11 11 TRP CA C 11 59.460 59.776 -0.316 1
1 42 . 18 1 1 A 11 11 TRP CB C 11 29.033 29.341 -0.308 1
1 48 . 18 1 1 A 11 11 TRP N N 11 113.286 118.039 -4.753 1
1 50 . 18 1 1 A 12 12 GLU H H 12 7.771 8.745 -0.974 1
1 51 . 18 1 1 A 12 12 GLU HA H 12 4.100 4.046 0.054 1
1 56 . 18 1 1 A 12 12 GLU C C 12 177.543 176.934 0.609 1
1 57 . 18 1 1 A 12 12 GLU CA C 12 58.195 59.221 -1.026 1
1 58 . 18 1 1 A 12 12 GLU CB C 12 29.265 29.045 0.220 1
1 60 . 18 1 1 A 12 12 GLU N N 12 117.805 118.934 -1.129 1
1 61 . 18 1 1 A 13 13 TYR H H 13 7.748 8.264 -0.516 1
1 62 . 18 1 1 A 13 13 TYR HA H 13 4.181 4.543 -0.362 1
1 69 . 18 1 1 A 13 13 TYR C C 13 172.809 174.829 -2.020 1
1 70 . 18 1 1 A 13 13 TYR CA C 13 58.524 57.662 0.862 1
1 71 . 18 1 1 A 13 13 TYR CB C 13 40.503 38.371 2.132 1
1 76 . 18 1 1 A 13 13 TYR N N 13 114.665 115.854 -1.189 1
1 77 . 18 1 1 A 14 14 PHE H H 14 7.590 8.171 -0.581 1
1 78 . 18 1 1 A 14 14 PHE HA H 14 5.336 5.456 -0.120 1
1 86 . 18 1 1 A 14 14 PHE C C 14 174.508 174.638 -0.130 1
1 87 . 18 1 1 A 14 14 PHE CA C 14 56.895 56.673 0.222 1
1 88 . 18 1 1 A 14 14 PHE CB C 14 45.117 43.499 1.618 1
1 94 . 18 1 1 A 14 14 PHE N N 14 115.479 118.138 -2.659 1
1 95 . 18 1 1 A 15 15 HIS H H 15 9.046 9.461 -0.415 1
1 96 . 18 1 1 A 15 15 HIS HA H 15 5.111 5.562 -0.451 1
1 101 . 18 1 1 A 15 15 HIS C C 15 175.455 173.432 2.023 1
1 102 . 18 1 1 A 15 15 HIS CA C 15 54.841 53.935 0.906 1
1 103 . 18 1 1 A 15 15 HIS CB C 15 33.210 32.863 0.347 1
1 106 . 18 1 1 A 15 15 HIS N N 15 118.065 117.817 0.248 1
1 107 . 18 1 1 A 16 16 LEU H H 16 8.899 8.962 -0.063 1
1 108 . 18 1 1 A 16 16 LEU HA H 16 4.624 4.194 0.430 1
1 118 . 18 1 1 A 16 16 LEU C C 16 176.256 177.465 -1.209 1
1 119 . 18 1 1 A 16 16 LEU CA C 16 54.947 55.093 -0.146 1
1 120 . 18 1 1 A 16 16 LEU CB C 16 42.540 42.110 0.430 1
1 124 . 18 1 1 A 16 16 LEU N N 16 125.895 125.394 0.501 1
1 125 . 18 1 1 A 17 17 ALA H H 17 8.412 8.561 -0.149 1
1 126 . 18 1 1 A 17 17 ALA HA H 17 4.574 4.941 -0.367 1
1 130 . 18 1 1 A 17 17 ALA C C 17 175.188 175.538 -0.350 1
1 131 . 18 1 1 A 17 17 ALA CA C 17 50.400 50.470 -0.070 1
1 132 . 18 1 1 A 17 17 ALA CB C 17 18.205 19.343 -1.138 1
1 133 . 18 1 1 A 17 17 ALA N N 17 128.151 127.106 1.045 1
1 134 . 18 1 1 A 18 18 PRO HA H 18 4.373 4.675 -0.302 1
1 141 . 18 1 1 A 18 18 PRO C C 18 176.621 175.551 1.070 1
1 142 . 18 1 1 A 18 18 PRO CA C 18 62.911 62.502 0.409 1
1 143 . 18 1 1 A 18 18 PRO CB C 18 32.105 32.478 -0.373 1
1 146 . 18 1 1 A 19 19 ALA H H 19 8.434 8.655 -0.221 1
1 147 . 18 1 1 A 19 19 ALA HA H 19 4.300 4.565 -0.265 1
1 151 . 18 1 1 A 19 19 ALA C C 19 177.834 177.400 0.434 1
1 152 . 18 1 1 A 19 19 ALA CA C 19 52.515 51.007 1.508 1
1 153 . 18 1 1 A 19 19 ALA CB C 19 19.359 19.687 -0.328 1
1 154 . 18 1 1 A 19 19 ALA N N 19 125.267 125.586 -0.319 1
1 155 . 18 1 1 A 20 20 ARG H H 20 8.450 8.488 -0.038 1
1 156 . 18 1 1 A 20 20 ARG HA H 20 4.366 4.554 -0.188 1
1 163 . 18 1 1 A 20 20 ARG C C 20 175.795 176.713 -0.918 1
1 164 . 18 1 1 A 20 20 ARG CA C 20 55.405 56.917 -1.512 1
1 165 . 18 1 1 A 20 20 ARG CB C 20 31.685 31.684 0.001 1
1 168 . 18 1 1 A 20 20 ARG N N 20 121.353 123.877 -2.524 1
1 169 . 18 1 1 A 21 21 ALA HA H 21 4.229 4.550 -0.321 1
1 173 . 18 1 1 A 21 21 ALA CA C 21 53.263 51.013 2.250 1
1 174 . 18 1 1 A 21 21 ALA CB C 21 18.577 19.406 -0.829 1
1 175 . 18 1 1 A 22 22 GLY C C 22 175.407 171.889 3.518 1
1 176 . 18 1 1 A 23 23 HIS HA H 23 4.768 4.742 0.026 1
1 181 . 18 1 1 A 23 23 HIS C C 23 178.611 174.882 3.729 1
1 182 . 18 1 1 A 23 23 HIS CA C 23 55.004 55.962 -0.958 1
1 183 . 18 1 1 A 23 23 HIS CB C 23 30.750 30.422 0.328 1
1 186 . 18 1 1 A 24 24 HIS HA H 24 4.673 4.651 0.022 1
1 191 . 18 1 1 A 24 24 HIS C C 24 179.801 174.613 5.188 1
1 192 . 18 1 1 A 24 24 HIS CA C 24 55.610 54.783 0.827 1
1 193 . 18 1 1 A 24 24 HIS CB C 24 31.802 30.052 1.750 1
1 196 . 18 1 1 A 25 25 PRO HA H 25 4.429 4.222 0.207 1
1 203 . 18 1 1 A 25 25 PRO C C 25 176.888 176.523 0.365 1
1 204 . 18 1 1 A 25 25 PRO CA C 25 63.902 62.960 0.942 1
1 205 . 18 1 1 A 25 25 PRO CB C 25 32.124 32.498 -0.374 1
1 208 . 18 1 1 A 26 26 ASN H H 26 9.047 8.920 0.127 1
1 209 . 18 1 1 A 26 26 ASN HA H 26 4.788 4.330 0.458 1
1 214 . 18 1 1 A 26 26 ASN C C 26 175.140 175.388 -0.248 1
1 215 . 18 1 1 A 26 26 ASN CA C 26 53.185 54.247 -1.062 1
1 216 . 18 1 1 A 26 26 ASN CB C 26 38.696 37.014 1.682 1
1 217 . 18 1 1 A 26 26 ASN N N 26 118.042 114.931 3.111 1
1 219 . 18 1 1 A 27 27 GLN H H 27 8.231 8.278 -0.047 1
1 220 . 18 1 1 A 27 27 GLN HA H 27 4.226 4.353 -0.127 1
1 227 . 18 1 1 A 27 27 GLN C C 27 175.212 174.993 0.219 1
1 228 . 18 1 1 A 27 27 GLN CA C 27 57.149 58.270 -1.121 1
1 229 . 18 1 1 A 27 27 GLN CB C 27 29.741 29.252 0.489 1
1 231 . 18 1 1 A 27 27 GLN N N 27 119.679 115.065 4.614 1
1 233 . 18 1 1 A 28 28 TYR H H 28 8.059 7.890 0.169 1
1 234 . 18 1 1 A 28 28 TYR HA H 28 5.109 5.240 -0.131 1
1 241 . 18 1 1 A 28 28 TYR C C 28 174.290 174.687 -0.397 1
1 242 . 18 1 1 A 28 28 TYR CA C 28 56.779 56.961 -0.182 1
1 243 . 18 1 1 A 28 28 TYR CB C 28 41.333 41.708 -0.375 1
1 248 . 18 1 1 A 28 28 TYR N N 28 116.269 117.557 -1.288 1
1 249 . 18 1 1 A 29 29 ALA H H 29 8.837 8.881 -0.044 1
1 250 . 18 1 1 A 29 29 ALA HA H 29 5.054 5.292 -0.238 1
1 254 . 18 1 1 A 29 29 ALA C C 29 175.795 175.736 0.059 1
1 255 . 18 1 1 A 29 29 ALA CA C 29 50.612 50.278 0.334 1
1 256 . 18 1 1 A 29 29 ALA CB C 29 23.046 21.402 1.644 1
1 257 . 18 1 1 A 29 29 ALA N N 29 123.222 124.135 -0.913 1
1 258 . 18 1 1 A 30 30 THR H H 30 9.217 9.158 0.059 1
1 259 . 18 1 1 A 30 30 THR HA H 30 4.828 4.673 0.155 1
1 264 . 18 1 1 A 30 30 THR C C 30 173.659 174.293 -0.634 1
1 265 . 18 1 1 A 30 30 THR CA C 30 62.383 61.885 0.498 1
1 266 . 18 1 1 A 30 30 THR CB C 30 70.058 68.867 1.191 1
1 268 . 18 1 1 A 30 30 THR N N 30 119.265 118.245 1.020 1
1 269 . 18 1 1 A 31 31 CYS H H 31 8.927 8.809 0.118 1
1 270 . 18 1 1 A 31 31 CYS HA H 31 3.606 4.014 -0.408 1
1 273 . 18 1 1 A 31 31 CYS C C 31 177.956 175.074 2.882 1
1 274 . 18 1 1 A 31 31 CYS CA C 31 59.743 59.979 -0.236 1
1 275 . 18 1 1 A 31 31 CYS CB C 31 29.971 28.258 1.713 1
1 276 . 18 1 1 A 31 31 CYS N N 31 130.893 126.754 4.139 1
1 277 . 18 1 1 A 32 32 ARG H H 32 9.393 9.268 0.125 1
1 278 . 18 1 1 A 32 32 ARG HA H 32 4.043 4.412 -0.369 1
1 285 . 18 1 1 A 32 32 ARG C C 32 176.693 176.941 -0.248 1
1 286 . 18 1 1 A 32 32 ARG CA C 32 58.471 56.983 1.488 1
1 287 . 18 1 1 A 32 32 ARG CB C 32 30.553 30.272 0.281 1
1 290 . 18 1 1 A 32 32 ARG N N 32 130.594 127.529 3.065 1
1 291 . 18 1 1 A 33 33 LEU H H 33 9.135 7.289 1.846 1
1 292 . 18 1 1 A 33 33 LEU HA H 33 4.243 4.110 0.133 1
1 302 . 18 1 1 A 33 33 LEU C C 33 178.150 178.481 -0.331 1
1 303 . 18 1 1 A 33 33 LEU CA C 33 56.709 57.198 -0.489 1
1 304 . 18 1 1 A 33 33 LEU CB C 33 41.387 42.887 -1.500 1
1 308 . 18 1 1 A 33 33 LEU N N 33 121.037 117.867 3.170 1
1 309 . 18 1 1 A 34 34 CYS H H 34 8.186 7.983 0.203 1
1 310 . 18 1 1 A 34 34 CYS HA H 34 5.200 4.720 0.480 1
1 313 . 18 1 1 A 34 34 CYS C C 34 176.329 175.607 0.722 1
1 314 . 18 1 1 A 34 34 CYS CA C 34 58.365 59.418 -1.053 1
1 315 . 18 1 1 A 34 34 CYS CB C 34 32.799 30.230 2.569 1
1 316 . 18 1 1 A 34 34 CYS N N 34 115.308 113.150 2.158 1
1 317 . 18 1 1 A 35 35 GLY H H 35 8.027 8.285 -0.258 1
1 318 . 18 1 1 A 35 35 GLY HA2 H 35 3.808 4.030 -0.222 1
1 319 . 18 1 1 A 35 35 GLY HA3 H 35 4.196 4.043 0.153 1
1 320 . 18 1 1 A 35 35 GLY C C 35 173.683 174.294 -0.611 1
1 321 . 18 1 1 A 35 35 GLY CA C 35 46.313 45.389 0.924 1
1 322 . 18 1 1 A 35 35 GLY N N 35 113.546 110.362 3.184 1
1 323 . 18 1 1 A 36 36 ARG H H 36 8.272 7.192 1.080 1
1 324 . 18 1 1 A 36 36 ARG HA H 36 4.273 4.349 -0.076 1
1 331 . 18 1 1 A 36 36 ARG C C 36 175.625 175.809 -0.184 1
1 332 . 18 1 1 A 36 36 ARG CA C 36 56.774 55.708 1.066 1
1 333 . 18 1 1 A 36 36 ARG CB C 36 31.112 31.202 -0.090 1
1 336 . 18 1 1 A 36 36 ARG N N 36 121.138 119.749 1.389 1
1 337 . 18 1 1 A 37 37 GLN H H 37 8.509 8.660 -0.151 1
1 338 . 18 1 1 A 37 37 GLN HA H 37 4.888 4.786 0.102 1
1 345 . 18 1 1 A 37 37 GLN C C 37 176.184 174.829 1.355 1
1 346 . 18 1 1 A 37 37 GLN CA C 37 55.475 55.877 -0.402 1
1 347 . 18 1 1 A 37 37 GLN CB C 37 29.426 29.557 -0.131 1
1 349 . 18 1 1 A 37 37 GLN N N 37 120.322 121.806 -1.484 1
1 351 . 18 1 1 A 38 38 VAL H H 38 9.281 9.398 -0.117 1
1 352 . 18 1 1 A 38 38 VAL HA H 38 4.216 4.557 -0.341 1
1 360 . 18 1 1 A 38 38 VAL C C 38 174.848 175.047 -0.199 1
1 361 . 18 1 1 A 38 38 VAL CA C 38 61.243 61.087 0.156 1
1 362 . 18 1 1 A 38 38 VAL CB C 38 34.146 33.240 0.906 1
1 365 . 18 1 1 A 38 38 VAL N N 38 125.546 126.089 -0.543 1
1 366 . 18 1 1 A 39 39 SER H H 39 8.590 8.474 0.116 1
1 367 . 18 1 1 A 39 39 SER HA H 39 4.348 4.605 -0.257 1
1 370 . 18 1 1 A 39 39 SER C C 39 174.800 174.967 -0.167 1
1 371 . 18 1 1 A 39 39 SER CA C 39 57.731 56.086 1.645 1
1 372 . 18 1 1 A 39 39 SER CB C 39 64.121 63.708 0.413 1
1 373 . 18 1 1 A 39 39 SER N N 39 120.236 121.443 -1.207 1
1 374 . 18 1 1 A 40 40 ARG H H 40 8.684 8.824 -0.140 1
1 375 . 18 1 1 A 40 40 ARG HA H 40 4.189 4.155 0.034 1
1 382 . 18 1 1 A 40 40 ARG C C 40 176.062 177.182 -1.120 1
1 383 . 18 1 1 A 40 40 ARG CA C 40 56.674 56.776 -0.102 1
1 384 . 18 1 1 A 40 40 ARG CB C 40 31.302 30.858 0.444 1
1 387 . 18 1 1 A 40 40 ARG N N 40 123.390 123.221 0.169 1
1 388 . 18 1 1 A 41 41 GLY H H 41 7.970 8.018 -0.048 1
1 389 . 18 1 1 A 41 41 GLY HA2 H 41 3.920 3.983 -0.063 1
1 390 . 18 1 1 A 41 41 GLY HA3 H 41 4.216 4.008 0.208 1
1 391 . 18 1 1 A 41 41 GLY C C 41 171.037 174.000 -2.963 1
1 392 . 18 1 1 A 41 41 GLY CA C 41 44.269 44.743 -0.474 1
1 393 . 18 1 1 A 41 41 GLY N N 41 107.997 107.461 0.536 1
1 394 . 18 1 1 A 42 42 PRO HA H 42 4.462 4.446 0.016 1
1 401 . 18 1 1 A 42 42 PRO C C 42 176.451 177.343 -0.892 1
1 402 . 18 1 1 A 42 42 PRO CA C 42 63.179 64.403 -1.224 1
1 403 . 18 1 1 A 42 42 PRO CB C 42 32.144 32.004 0.140 1
1 406 . 18 1 1 A 43 43 GLY H H 43 8.388 8.354 0.034 1
1 407 . 18 1 1 A 43 43 GLY HA2 H 43 4.065 3.950 0.115 1
1 408 . 18 1 1 A 43 43 GLY HA3 H 43 3.808 3.957 -0.149 1
1 409 . 18 1 1 A 43 43 GLY CA C 43 45.278 46.093 -0.815 1
1 410 . 18 1 1 A 43 43 GLY N N 43 109.409 106.388 3.021 1
1 411 . 18 1 1 A 44 44 VAL H H 44 7.913 7.532 0.381 1
1 412 . 18 1 1 A 44 44 VAL HA H 44 4.107 4.015 0.092 1
1 420 . 18 1 1 A 44 44 VAL CA C 44 62.352 64.048 -1.696 1
1 421 . 18 1 1 A 44 44 VAL CB C 44 32.777 32.404 0.373 1
1 424 . 18 1 1 A 44 44 VAL N N 44 117.689 119.850 -2.161 1
1 425 . 18 1 1 A 45 45 ASN HA H 45 4.713 4.447 0.266 1
1 430 . 18 1 1 A 45 45 ASN CA C 45 53.201 56.581 -3.380 1
1 431 . 18 1 1 A 45 45 ASN CB C 45 38.671 37.963 0.708 1
1 433 . 18 1 1 A 46 46 VAL H H 46 7.994 7.554 0.440 1
1 434 . 18 1 1 A 46 46 VAL HA H 46 4.148 3.945 0.203 1
1 439 . 18 1 1 A 46 46 VAL C C 46 177.834 177.991 -0.157 1
1 440 . 18 1 1 A 46 46 VAL CA C 46 62.726 64.127 -1.401 1
1 441 . 18 1 1 A 46 46 VAL CB C 46 32.476 31.671 0.805 1
1 443 . 18 1 1 A 46 46 VAL N N 46 118.432 119.145 -0.713 1
1 444 . 18 1 1 A 47 47 GLY HA2 H 47 3.702 3.846 -0.144 1
1 445 . 18 1 1 A 47 47 GLY HA3 H 47 4.104 3.866 0.238 1
1 446 . 18 1 1 A 47 47 GLY C C 47 173.950 175.015 -1.065 1
1 447 . 18 1 1 A 47 47 GLY CA C 47 45.202 47.430 -2.228 1
1 448 . 18 1 1 A 48 48 THR H H 48 8.238 7.768 0.470 1
1 449 . 18 1 1 A 48 48 THR HA H 48 4.066 4.411 -0.345 1
1 454 . 18 1 1 A 48 48 THR C C 48 175.919 174.233 1.686 1
1 455 . 18 1 1 A 48 48 THR CA C 48 67.178 61.335 5.843 1
1 456 . 18 1 1 A 48 48 THR CB C 48 68.681 66.614 2.067 1
1 458 . 18 1 1 A 48 48 THR N N 48 118.267 114.084 4.183 1
1 459 . 18 1 1 A 49 49 THR HA H 49 3.981 4.174 -0.193 1
1 464 . 18 1 1 A 49 49 THR CA C 49 62.689 62.604 0.085 1
1 465 . 18 1 1 A 49 49 THR CB C 49 69.410 69.288 0.122 1
1 467 . 18 1 1 A 50 50 ALA HA H 50 4.091 3.870 0.221 1
1 471 . 18 1 1 A 50 50 ALA C C 50 180.456 179.651 0.805 1
1 472 . 18 1 1 A 50 50 ALA CA C 50 55.053 54.757 0.296 1
1 473 . 18 1 1 A 50 50 ALA CB C 50 18.859 18.329 0.530 1
1 474 . 18 1 1 A 51 51 LEU H H 51 7.042 7.658 -0.616 1
1 475 . 18 1 1 A 51 51 LEU HA H 51 3.446 3.208 0.238 1
1 485 . 18 1 1 A 51 51 LEU C C 51 179.170 179.076 0.094 1
1 486 . 18 1 1 A 51 51 LEU CA C 51 57.395 57.372 0.023 1
1 487 . 18 1 1 A 51 51 LEU CB C 51 39.050 41.341 -2.291 1
1 491 . 18 1 1 A 51 51 LEU N N 51 117.051 118.456 -1.405 1
1 492 . 18 1 1 A 52 52 TRP H H 52 7.992 8.023 -0.031 1
1 493 . 18 1 1 A 52 52 TRP HA H 52 4.412 4.401 0.011 1
1 502 . 18 1 1 A 52 52 TRP C C 52 178.636 179.058 -0.422 1
1 503 . 18 1 1 A 52 52 TRP CA C 52 60.762 60.355 0.407 1
1 504 . 18 1 1 A 52 52 TRP CB C 52 29.830 29.056 0.774 1
1 510 . 18 1 1 A 52 52 TRP N N 52 118.438 119.051 -0.613 1
1 512 . 18 1 1 A 53 53 LYS H H 53 8.239 8.248 -0.009 1
1 513 . 18 1 1 A 53 53 LYS HA H 53 4.077 4.051 0.026 1
1 522 . 18 1 1 A 53 53 LYS C C 53 179.777 178.841 0.936 1
1 523 . 18 1 1 A 53 53 LYS CA C 53 59.864 59.239 0.625 1
1 524 . 18 1 1 A 53 53 LYS CB C 53 32.077 32.428 -0.351 1
1 528 . 18 1 1 A 53 53 LYS N N 53 118.342 119.039 -0.697 1
1 529 . 18 1 1 A 54 54 HIS H H 54 7.592 7.679 -0.087 1
1 530 . 18 1 1 A 54 54 HIS HA H 54 4.351 4.357 -0.006 1
1 535 . 18 1 1 A 54 54 HIS C C 54 176.499 177.355 -0.856 1
1 536 . 18 1 1 A 54 54 HIS CA C 54 60.409 59.271 1.138 1
1 537 . 18 1 1 A 54 54 HIS CB C 54 28.701 30.191 -1.490 1
1 540 . 18 1 1 A 54 54 HIS N N 54 117.948 120.690 -2.742 1
1 541 . 18 1 1 A 55 55 LEU H H 55 8.223 8.561 -0.338 1
1 542 . 18 1 1 A 55 55 LEU HA H 55 3.829 3.916 -0.087 1
1 552 . 18 1 1 A 55 55 LEU C C 55 178.587 179.350 -0.763 1
1 553 . 18 1 1 A 55 55 LEU CA C 55 58.492 58.236 0.256 1
1 554 . 18 1 1 A 55 55 LEU CB C 55 42.293 41.522 0.771 1
1 558 . 18 1 1 A 55 55 LEU N N 55 118.224 120.153 -1.929 1
1 559 . 18 1 1 A 56 56 LYS H H 56 8.795 8.497 0.298 1
1 560 . 18 1 1 A 56 56 LYS HA H 56 3.823 4.273 -0.450 1
1 569 . 18 1 1 A 56 56 LYS C C 56 177.664 178.142 -0.478 1
1 570 . 18 1 1 A 56 56 LYS CA C 56 58.999 58.438 0.561 1
1 571 . 18 1 1 A 56 56 LYS CB C 56 32.395 32.099 0.296 1
1 575 . 18 1 1 A 56 56 LYS N N 56 115.460 117.745 -2.285 1
1 576 . 18 1 1 A 57 57 SER H H 57 7.600 7.904 -0.304 1
1 577 . 18 1 1 A 57 57 SER HA H 57 4.353 4.330 0.023 1
1 580 . 18 1 1 A 57 57 SER C C 57 176.451 175.655 0.796 1
1 581 . 18 1 1 A 57 57 SER CA C 57 60.480 61.132 -0.652 1
1 582 . 18 1 1 A 57 57 SER CB C 57 63.879 63.257 0.622 1
1 583 . 18 1 1 A 57 57 SER N N 57 110.773 114.908 -4.135 1
1 584 . 18 1 1 A 58 58 MET H H 58 7.685 7.712 -0.027 1
1 585 . 18 1 1 A 58 58 MET HA H 58 4.555 4.525 0.030 1
1 593 . 18 1 1 A 58 58 MET C C 58 176.645 177.034 -0.389 1
1 594 . 18 1 1 A 58 58 MET CA C 58 55.158 55.275 -0.117 1
1 595 . 18 1 1 A 58 58 MET CB C 58 32.427 34.121 -1.694 1
1 598 . 18 1 1 A 58 58 MET N N 58 115.874 116.265 -0.391 1
1 599 . 18 1 1 A 59 59 HIS H H 59 7.685 7.999 -0.314 1
1 600 . 18 1 1 A 59 59 HIS HA H 59 5.357 4.712 0.645 1
1 605 . 18 1 1 A 59 59 HIS C C 59 175.140 175.560 -0.420 1
1 606 . 18 1 1 A 59 59 HIS CA C 59 53.114 55.557 -2.443 1
1 607 . 18 1 1 A 59 59 HIS CB C 59 29.080 29.428 -0.348 1
1 610 . 18 1 1 A 59 59 HIS N N 59 117.346 116.517 0.829 1
1 611 . 18 1 1 A 60 60 ARG H H 60 7.995 7.959 0.036 1
1 612 . 18 1 1 A 60 60 ARG HA H 60 3.771 3.867 -0.096 1
1 619 . 18 1 1 A 60 60 ARG C C 60 178.684 178.553 0.131 1
1 620 . 18 1 1 A 60 60 ARG CA C 60 60.646 59.570 1.076 1
1 621 . 18 1 1 A 60 60 ARG CB C 60 29.959 29.923 0.036 1
1 624 . 18 1 1 A 60 60 ARG N N 60 120.640 121.810 -1.170 1
1 625 . 18 1 1 A 61 61 GLU H H 61 8.929 8.135 0.794 1
1 626 . 18 1 1 A 61 61 GLU HA H 61 4.046 4.158 -0.112 1
1 631 . 18 1 1 A 61 61 GLU C C 61 179.024 179.577 -0.553 1
1 632 . 18 1 1 A 61 61 GLU CA C 61 59.775 58.794 0.981 1
1 633 . 18 1 1 A 61 61 GLU CB C 61 28.926 29.178 -0.252 1
1 635 . 18 1 1 A 61 61 GLU N N 61 117.239 119.321 -2.082 1
1 636 . 18 1 1 A 62 62 GLU H H 62 8.182 7.996 0.186 1
1 637 . 18 1 1 A 62 62 GLU HA H 62 4.078 4.098 -0.020 1
1 642 . 18 1 1 A 62 62 GLU C C 62 179.242 179.356 -0.114 1
1 643 . 18 1 1 A 62 62 GLU CA C 62 59.317 58.996 0.321 1
1 644 . 18 1 1 A 62 62 GLU CB C 62 28.864 29.544 -0.680 1
1 646 . 18 1 1 A 62 62 GLU N N 62 120.004 119.858 0.146 1
1 647 . 18 1 1 A 63 63 LEU H H 63 7.849 8.398 -0.549 1
1 648 . 18 1 1 A 63 63 LEU HA H 63 4.158 3.733 0.425 1
1 658 . 18 1 1 A 63 63 LEU C C 63 179.679 178.800 0.879 1
1 659 . 18 1 1 A 63 63 LEU CA C 63 57.449 57.859 -0.410 1
1 660 . 18 1 1 A 63 63 LEU CB C 63 41.552 41.682 -0.130 1
1 664 . 18 1 1 A 63 63 LEU N N 63 119.191 120.338 -1.147 1
1 665 . 18 1 1 A 64 64 GLU H H 64 8.097 8.055 0.042 1
1 666 . 18 1 1 A 64 64 GLU HA H 64 4.113 4.150 -0.037 1
1 671 . 18 1 1 A 64 64 GLU C C 64 178.951 178.635 0.316 1
1 672 . 18 1 1 A 64 64 GLU CA C 64 58.480 59.242 -0.762 1
1 673 . 18 1 1 A 64 64 GLU CB C 64 29.548 29.353 0.195 1
1 675 . 18 1 1 A 64 64 GLU N N 64 118.834 117.604 1.230 1
1 676 . 18 1 1 A 65 65 LYS H H 65 7.854 7.897 -0.043 1
1 677 . 18 1 1 A 65 65 LYS HA H 65 4.197 4.057 0.140 1
1 685 . 18 1 1 A 65 65 LYS C C 65 177.713 177.117 0.596 1
1 686 . 18 1 1 A 65 65 LYS CA C 65 58.154 59.293 -1.139 1
1 687 . 18 1 1 A 65 65 LYS CB C 65 32.614 32.430 0.184 1
1 691 . 18 1 1 A 65 65 LYS N N 65 119.350 120.341 -0.991 1
1 692 . 18 1 1 A 66 66 SER H H 66 7.816 7.680 0.136 1
1 693 . 18 1 1 A 66 66 SER HA H 66 4.457 4.597 -0.140 1
1 696 . 18 1 1 A 66 66 SER C C 66 174.751 175.376 -0.625 1
1 697 . 18 1 1 A 66 66 SER CA C 66 58.864 58.244 0.620 1
1 698 . 18 1 1 A 66 66 SER CB C 66 64.180 64.534 -0.354 1
1 699 . 18 1 1 A 66 66 SER N N 66 113.693 114.980 -1.287 1
1 700 . 18 1 1 A 67 67 GLY H H 67 7.959 8.616 -0.657 1
1 701 . 18 1 1 A 67 67 GLY HA2 H 67 4.036 3.914 0.122 1
1 702 . 18 1 1 A 67 67 GLY HA3 H 67 3.924 3.939 -0.015 1
1 703 . 18 1 1 A 67 67 GLY C C 67 174.775 174.751 0.024 1
1 704 . 18 1 1 A 67 67 GLY CA C 67 45.678 46.805 -1.127 1
1 705 . 18 1 1 A 67 67 GLY N N 67 108.980 111.741 -2.761 1
1 706 . 18 1 1 A 68 68 HIS H H 68 8.148 7.847 0.301 1
1 707 . 18 1 1 A 68 68 HIS HA H 68 4.861 4.923 -0.062 1
1 712 . 18 1 1 A 68 68 HIS C C 68 176.159 176.359 -0.200 1
1 713 . 18 1 1 A 68 68 HIS CA C 68 56.004 55.588 0.416 1
1 714 . 18 1 1 A 68 68 HIS CB C 68 31.585 29.179 2.406 1
1 717 . 18 1 1 A 68 68 HIS N N 68 119.127 117.846 1.281 1
1 718 . 18 1 1 A 69 69 GLY H H 69 8.610 8.546 0.064 1
1 719 . 18 1 1 A 69 69 GLY HA2 H 69 3.903 3.674 0.229 1
1 720 . 18 1 1 A 69 69 GLY HA3 H 69 3.903 3.681 0.222 1
1 721 . 18 1 1 A 69 69 GLY C C 69 174.290 175.943 -1.653 1
1 722 . 18 1 1 A 69 69 GLY CA C 69 45.890 47.334 -1.444 1
1 723 . 18 1 1 A 69 69 GLY N N 69 109.663 109.153 0.510 1
1 724 . 18 1 1 A 70 70 GLN H H 70 8.325 7.863 0.462 1
1 725 . 18 1 1 A 70 70 GLN HA H 70 4.396 3.995 0.401 1
1 732 . 18 1 1 A 70 70 GLN C C 70 176.208 176.709 -0.501 1
1 733 . 18 1 1 A 70 70 GLN CA C 70 55.616 58.401 -2.785 1
1 734 . 18 1 1 A 70 70 GLN CB C 70 29.441 28.298 1.143 1
1 736 . 18 1 1 A 70 70 GLN N N 70 119.031 120.565 -1.534 1
1 738 . 18 1 1 A 71 71 SER HA H 71 4.466 4.176 0.290 1
1 741 . 18 1 1 A 71 71 SER C C 71 174.096 175.296 -1.200 1
1 742 . 18 1 1 A 71 71 SER CA C 71 58.506 58.819 -0.313 1
1 743 . 18 1 1 A 71 71 SER CB C 71 64.126 62.865 1.261 1
1 744 . 18 1 1 A 72 72 GLY H H 72 8.136 8.884 -0.748 1
1 745 . 18 1 1 A 72 72 GLY HA2 H 72 3.776 3.813 -0.037 1
1 746 . 18 1 1 A 72 72 GLY HA3 H 72 3.703 3.818 -0.115 1
1 747 . 18 1 1 A 72 72 GLY C C 72 171.644 175.733 -4.089 1
1 748 . 18 1 1 A 72 72 GLY CA C 72 44.304 46.994 -2.690 1
1 749 . 18 1 1 A 72 72 GLY N N 72 110.082 114.808 -4.726 1
1 750 . 18 1 1 A 73 73 PRO HA H 73 4.408 4.482 -0.074 1
1 757 . 18 1 1 A 73 73 PRO C C 73 175.067 177.054 -1.987 1
1 758 . 18 1 1 A 73 73 PRO CA C 73 63.151 64.805 -1.654 1
1 759 . 18 1 1 A 73 73 PRO CB C 73 32.225 31.849 0.376 1
1 763 . 18 1 1 A 74 74 SER CA C 74 58.647 59.575 -0.928 1
1 1 . 19 1 1 A 7 7 GLY HA2 H 7 4.246 4.228 0.018 1
1 2 . 19 1 1 A 7 7 GLY HA3 H 7 4.111 4.236 -0.125 1
1 3 . 19 1 1 A 7 7 GLY CA C 7 46.145 45.818 0.327 1
1 4 . 19 1 1 A 8 8 SER HA H 8 4.472 4.652 -0.180 1
1 7 . 19 1 1 A 8 8 SER C C 8 175.844 175.575 0.269 1
1 8 . 19 1 1 A 8 8 SER CA C 8 60.307 58.721 1.586 1
1 9 . 19 1 1 A 8 8 SER CB C 8 63.621 63.131 0.490 1
1 10 . 19 1 1 A 9 9 GLU H H 9 9.766 8.325 1.441 1
1 11 . 19 1 1 A 9 9 GLU HA H 9 4.354 4.177 0.177 1
1 16 . 19 1 1 A 9 9 GLU C C 9 177.495 178.466 -0.971 1
1 17 . 19 1 1 A 9 9 GLU CA C 9 58.823 59.513 -0.690 1
1 18 . 19 1 1 A 9 9 GLU CB C 9 29.080 29.507 -0.427 1
1 20 . 19 1 1 A 9 9 GLU N N 9 124.626 122.215 2.411 1
1 21 . 19 1 1 A 10 10 ALA H H 10 7.788 7.952 -0.164 1
1 22 . 19 1 1 A 10 10 ALA HA H 10 3.387 3.829 -0.442 1
1 26 . 19 1 1 A 10 10 ALA C C 10 179.145 179.641 -0.496 1
1 27 . 19 1 1 A 10 10 ALA CA C 10 54.588 54.523 0.065 1
1 28 . 19 1 1 A 10 10 ALA CB C 10 17.451 16.940 0.511 1
1 29 . 19 1 1 A 10 10 ALA N N 10 120.412 121.436 -1.024 1
1 30 . 19 1 1 A 11 11 TRP H H 11 7.481 8.139 -0.658 1
1 31 . 19 1 1 A 11 11 TRP HA H 11 4.440 4.638 -0.198 1
1 40 . 19 1 1 A 11 11 TRP C C 11 177.373 179.085 -1.712 1
1 41 . 19 1 1 A 11 11 TRP CA C 11 59.460 59.807 -0.347 1
1 42 . 19 1 1 A 11 11 TRP CB C 11 29.033 29.381 -0.348 1
1 48 . 19 1 1 A 11 11 TRP N N 11 113.286 118.140 -4.854 1
1 50 . 19 1 1 A 12 12 GLU H H 12 7.771 8.993 -1.222 1
1 51 . 19 1 1 A 12 12 GLU HA H 12 4.100 4.050 0.050 1
1 56 . 19 1 1 A 12 12 GLU C C 12 177.543 177.155 0.388 1
1 57 . 19 1 1 A 12 12 GLU CA C 12 58.195 59.288 -1.093 1
1 58 . 19 1 1 A 12 12 GLU CB C 12 29.265 28.952 0.313 1
1 60 . 19 1 1 A 12 12 GLU N N 12 117.805 118.915 -1.110 1
1 61 . 19 1 1 A 13 13 TYR H H 13 7.748 8.262 -0.514 1
1 62 . 19 1 1 A 13 13 TYR HA H 13 4.181 4.548 -0.367 1
1 69 . 19 1 1 A 13 13 TYR C C 13 172.809 174.933 -2.124 1
1 70 . 19 1 1 A 13 13 TYR CA C 13 58.524 57.714 0.810 1
1 71 . 19 1 1 A 13 13 TYR CB C 13 40.503 38.375 2.128 1
1 76 . 19 1 1 A 13 13 TYR N N 13 114.665 115.820 -1.155 1
1 77 . 19 1 1 A 14 14 PHE H H 14 7.590 8.180 -0.590 1
1 78 . 19 1 1 A 14 14 PHE HA H 14 5.336 5.565 -0.229 1
1 86 . 19 1 1 A 14 14 PHE C C 14 174.508 174.711 -0.203 1
1 87 . 19 1 1 A 14 14 PHE CA C 14 56.895 56.655 0.240 1
1 88 . 19 1 1 A 14 14 PHE CB C 14 45.117 43.392 1.725 1
1 94 . 19 1 1 A 14 14 PHE N N 14 115.479 118.416 -2.937 1
1 95 . 19 1 1 A 15 15 HIS H H 15 9.046 9.495 -0.449 1
1 96 . 19 1 1 A 15 15 HIS HA H 15 5.111 5.680 -0.569 1
1 101 . 19 1 1 A 15 15 HIS C C 15 175.455 173.792 1.663 1
1 102 . 19 1 1 A 15 15 HIS CA C 15 54.841 53.999 0.842 1
1 103 . 19 1 1 A 15 15 HIS CB C 15 33.210 33.040 0.170 1
1 106 . 19 1 1 A 15 15 HIS N N 15 118.065 117.902 0.163 1
1 107 . 19 1 1 A 16 16 LEU H H 16 8.899 9.003 -0.104 1
1 108 . 19 1 1 A 16 16 LEU HA H 16 4.624 4.287 0.337 1
1 118 . 19 1 1 A 16 16 LEU C C 16 176.256 176.615 -0.359 1
1 119 . 19 1 1 A 16 16 LEU CA C 16 54.947 55.347 -0.400 1
1 120 . 19 1 1 A 16 16 LEU CB C 16 42.540 42.128 0.412 1
1 124 . 19 1 1 A 16 16 LEU N N 16 125.895 125.662 0.233 1
1 125 . 19 1 1 A 17 17 ALA H H 17 8.412 8.214 0.198 1
1 126 . 19 1 1 A 17 17 ALA HA H 17 4.574 5.053 -0.479 1
1 130 . 19 1 1 A 17 17 ALA C C 17 175.188 175.108 0.080 1
1 131 . 19 1 1 A 17 17 ALA CA C 17 50.400 49.703 0.697 1
1 132 . 19 1 1 A 17 17 ALA CB C 17 18.205 21.141 -2.936 1
1 133 . 19 1 1 A 17 17 ALA N N 17 128.151 125.657 2.494 1
1 134 . 19 1 1 A 18 18 PRO HA H 18 4.373 4.700 -0.327 1
1 141 . 19 1 1 A 18 18 PRO C C 18 176.621 175.803 0.818 1
1 142 . 19 1 1 A 18 18 PRO CA C 18 62.911 62.536 0.375 1
1 143 . 19 1 1 A 18 18 PRO CB C 18 32.105 33.117 -1.012 1
1 146 . 19 1 1 A 19 19 ALA H H 19 8.434 8.519 -0.085 1
1 147 . 19 1 1 A 19 19 ALA HA H 19 4.300 4.639 -0.339 1
1 151 . 19 1 1 A 19 19 ALA C C 19 177.834 177.549 0.285 1
1 152 . 19 1 1 A 19 19 ALA CA C 19 52.515 51.068 1.447 1
1 153 . 19 1 1 A 19 19 ALA CB C 19 19.359 20.320 -0.961 1
1 154 . 19 1 1 A 19 19 ALA N N 19 125.267 124.767 0.500 1
1 155 . 19 1 1 A 20 20 ARG H H 20 8.450 8.619 -0.169 1
1 156 . 19 1 1 A 20 20 ARG HA H 20 4.366 4.312 0.054 1
1 163 . 19 1 1 A 20 20 ARG C C 20 175.795 176.609 -0.814 1
1 164 . 19 1 1 A 20 20 ARG CA C 20 55.405 58.278 -2.873 1
1 165 . 19 1 1 A 20 20 ARG CB C 20 31.685 30.717 0.968 1
1 168 . 19 1 1 A 20 20 ARG N N 20 121.353 124.359 -3.006 1
1 169 . 19 1 1 A 21 21 ALA HA H 21 4.229 4.511 -0.282 1
1 173 . 19 1 1 A 21 21 ALA CA C 21 53.263 51.104 2.159 1
1 174 . 19 1 1 A 21 21 ALA CB C 21 18.577 20.746 -2.169 1
1 175 . 19 1 1 A 22 22 GLY C C 22 175.407 174.041 1.366 1
1 176 . 19 1 1 A 23 23 HIS HA H 23 4.768 4.827 -0.059 1
1 181 . 19 1 1 A 23 23 HIS C C 23 178.611 175.280 3.331 1
1 182 . 19 1 1 A 23 23 HIS CA C 23 55.004 56.127 -1.123 1
1 183 . 19 1 1 A 23 23 HIS CB C 23 30.750 30.457 0.293 1
1 186 . 19 1 1 A 24 24 HIS HA H 24 4.673 4.675 -0.002 1
1 191 . 19 1 1 A 24 24 HIS C C 24 179.801 174.548 5.253 1
1 192 . 19 1 1 A 24 24 HIS CA C 24 55.610 55.036 0.574 1
1 193 . 19 1 1 A 24 24 HIS CB C 24 31.802 30.315 1.487 1
1 196 . 19 1 1 A 25 25 PRO HA H 25 4.429 4.224 0.205 1
1 203 . 19 1 1 A 25 25 PRO C C 25 176.888 176.773 0.115 1
1 204 . 19 1 1 A 25 25 PRO CA C 25 63.902 62.551 1.351 1
1 205 . 19 1 1 A 25 25 PRO CB C 25 32.124 32.557 -0.433 1
1 208 . 19 1 1 A 26 26 ASN H H 26 9.047 8.945 0.102 1
1 209 . 19 1 1 A 26 26 ASN HA H 26 4.788 4.400 0.388 1
1 214 . 19 1 1 A 26 26 ASN C C 26 175.140 175.998 -0.858 1
1 215 . 19 1 1 A 26 26 ASN CA C 26 53.185 54.135 -0.950 1
1 216 . 19 1 1 A 26 26 ASN CB C 26 38.696 37.770 0.926 1
1 217 . 19 1 1 A 26 26 ASN N N 26 118.042 119.385 -1.343 1
1 219 . 19 1 1 A 27 27 GLN H H 27 8.231 8.325 -0.094 1
1 220 . 19 1 1 A 27 27 GLN HA H 27 4.226 4.478 -0.252 1
1 227 . 19 1 1 A 27 27 GLN C C 27 175.212 175.460 -0.248 1
1 228 . 19 1 1 A 27 27 GLN CA C 27 57.149 56.163 0.986 1
1 229 . 19 1 1 A 27 27 GLN CB C 27 29.741 30.464 -0.723 1
1 231 . 19 1 1 A 27 27 GLN N N 27 119.679 117.424 2.255 1
1 233 . 19 1 1 A 28 28 TYR H H 28 8.059 7.923 0.136 1
1 234 . 19 1 1 A 28 28 TYR HA H 28 5.109 5.200 -0.091 1
1 241 . 19 1 1 A 28 28 TYR C C 28 174.290 174.843 -0.553 1
1 242 . 19 1 1 A 28 28 TYR CA C 28 56.779 56.730 0.049 1
1 243 . 19 1 1 A 28 28 TYR CB C 28 41.333 41.183 0.150 1
1 248 . 19 1 1 A 28 28 TYR N N 28 116.269 117.959 -1.690 1
1 249 . 19 1 1 A 29 29 ALA H H 29 8.837 8.935 -0.098 1
1 250 . 19 1 1 A 29 29 ALA HA H 29 5.054 5.301 -0.247 1
1 254 . 19 1 1 A 29 29 ALA C C 29 175.795 175.782 0.013 1
1 255 . 19 1 1 A 29 29 ALA CA C 29 50.612 50.245 0.367 1
1 256 . 19 1 1 A 29 29 ALA CB C 29 23.046 21.638 1.408 1
1 257 . 19 1 1 A 29 29 ALA N N 29 123.222 124.660 -1.438 1
1 258 . 19 1 1 A 30 30 THR H H 30 9.217 8.931 0.286 1
1 259 . 19 1 1 A 30 30 THR HA H 30 4.828 4.697 0.131 1
1 264 . 19 1 1 A 30 30 THR C C 30 173.659 174.223 -0.564 1
1 265 . 19 1 1 A 30 30 THR CA C 30 62.383 62.100 0.283 1
1 266 . 19 1 1 A 30 30 THR CB C 30 70.058 69.075 0.983 1
1 268 . 19 1 1 A 30 30 THR N N 30 119.265 118.112 1.153 1
1 269 . 19 1 1 A 31 31 CYS H H 31 8.927 9.071 -0.144 1
1 270 . 19 1 1 A 31 31 CYS HA H 31 3.606 3.956 -0.350 1
1 273 . 19 1 1 A 31 31 CYS C C 31 177.956 175.711 2.245 1
1 274 . 19 1 1 A 31 31 CYS CA C 31 59.743 59.844 -0.101 1
1 275 . 19 1 1 A 31 31 CYS CB C 31 29.971 28.428 1.543 1
1 276 . 19 1 1 A 31 31 CYS N N 31 130.893 126.545 4.348 1
1 277 . 19 1 1 A 32 32 ARG H H 32 9.393 9.080 0.313 1
1 278 . 19 1 1 A 32 32 ARG HA H 32 4.043 4.262 -0.219 1
1 285 . 19 1 1 A 32 32 ARG C C 32 176.693 177.000 -0.307 1
1 286 . 19 1 1 A 32 32 ARG CA C 32 58.471 57.976 0.495 1
1 287 . 19 1 1 A 32 32 ARG CB C 32 30.553 30.169 0.384 1
1 290 . 19 1 1 A 32 32 ARG N N 32 130.594 127.590 3.004 1
1 291 . 19 1 1 A 33 33 LEU H H 33 9.135 7.526 1.609 1
1 292 . 19 1 1 A 33 33 LEU HA H 33 4.243 4.092 0.151 1
1 302 . 19 1 1 A 33 33 LEU C C 33 178.150 178.433 -0.283 1
1 303 . 19 1 1 A 33 33 LEU CA C 33 56.709 57.353 -0.644 1
1 304 . 19 1 1 A 33 33 LEU CB C 33 41.387 42.599 -1.212 1
1 308 . 19 1 1 A 33 33 LEU N N 33 121.037 118.073 2.964 1
1 309 . 19 1 1 A 34 34 CYS H H 34 8.186 8.022 0.164 1
1 310 . 19 1 1 A 34 34 CYS HA H 34 5.200 4.646 0.554 1
1 313 . 19 1 1 A 34 34 CYS C C 34 176.329 175.427 0.902 1
1 314 . 19 1 1 A 34 34 CYS CA C 34 58.365 59.590 -1.225 1
1 315 . 19 1 1 A 34 34 CYS CB C 34 32.799 29.679 3.120 1
1 316 . 19 1 1 A 34 34 CYS N N 34 115.308 113.173 2.135 1
1 317 . 19 1 1 A 35 35 GLY H H 35 8.027 8.168 -0.141 1
1 318 . 19 1 1 A 35 35 GLY HA2 H 35 3.808 4.003 -0.195 1
1 319 . 19 1 1 A 35 35 GLY HA3 H 35 4.196 4.017 0.179 1
1 320 . 19 1 1 A 35 35 GLY C C 35 173.683 174.052 -0.369 1
1 321 . 19 1 1 A 35 35 GLY CA C 35 46.313 45.359 0.954 1
1 322 . 19 1 1 A 35 35 GLY N N 35 113.546 110.433 3.113 1
1 323 . 19 1 1 A 36 36 ARG H H 36 8.272 7.208 1.064 1
1 324 . 19 1 1 A 36 36 ARG HA H 36 4.273 4.688 -0.415 1
1 331 . 19 1 1 A 36 36 ARG C C 36 175.625 175.717 -0.092 1
1 332 . 19 1 1 A 36 36 ARG CA C 36 56.774 54.395 2.379 1
1 333 . 19 1 1 A 36 36 ARG CB C 36 31.112 32.228 -1.116 1
1 336 . 19 1 1 A 36 36 ARG N N 36 121.138 119.185 1.953 1
1 337 . 19 1 1 A 37 37 GLN H H 37 8.509 8.544 -0.035 1
1 338 . 19 1 1 A 37 37 GLN HA H 37 4.888 4.964 -0.076 1
1 345 . 19 1 1 A 37 37 GLN C C 37 176.184 175.038 1.146 1
1 346 . 19 1 1 A 37 37 GLN CA C 37 55.475 55.639 -0.164 1
1 347 . 19 1 1 A 37 37 GLN CB C 37 29.426 30.092 -0.666 1
1 349 . 19 1 1 A 37 37 GLN N N 37 120.322 120.482 -0.160 1
1 351 . 19 1 1 A 38 38 VAL H H 38 9.281 9.199 0.082 1
1 352 . 19 1 1 A 38 38 VAL HA H 38 4.216 4.406 -0.190 1
1 360 . 19 1 1 A 38 38 VAL C C 38 174.848 175.246 -0.398 1
1 361 . 19 1 1 A 38 38 VAL CA C 38 61.243 61.915 -0.672 1
1 362 . 19 1 1 A 38 38 VAL CB C 38 34.146 33.751 0.395 1
1 365 . 19 1 1 A 38 38 VAL N N 38 125.546 124.805 0.741 1
1 366 . 19 1 1 A 39 39 SER H H 39 8.590 8.720 -0.130 1
1 367 . 19 1 1 A 39 39 SER HA H 39 4.348 4.325 0.023 1
1 370 . 19 1 1 A 39 39 SER C C 39 174.800 174.254 0.546 1
1 371 . 19 1 1 A 39 39 SER CA C 39 57.731 58.034 -0.303 1
1 372 . 19 1 1 A 39 39 SER CB C 39 64.121 63.231 0.890 1
1 373 . 19 1 1 A 39 39 SER N N 39 120.236 122.523 -2.287 1
1 374 . 19 1 1 A 40 40 ARG H H 40 8.684 8.948 -0.264 1
1 375 . 19 1 1 A 40 40 ARG HA H 40 4.189 4.375 -0.186 1
1 382 . 19 1 1 A 40 40 ARG C C 40 176.062 177.117 -1.055 1
1 383 . 19 1 1 A 40 40 ARG CA C 40 56.674 56.506 0.168 1
1 384 . 19 1 1 A 40 40 ARG CB C 40 31.302 31.545 -0.243 1
1 387 . 19 1 1 A 40 40 ARG N N 40 123.390 122.435 0.955 1
1 388 . 19 1 1 A 41 41 GLY H H 41 7.970 7.854 0.116 1
1 389 . 19 1 1 A 41 41 GLY HA2 H 41 3.920 4.066 -0.146 1
1 390 . 19 1 1 A 41 41 GLY HA3 H 41 4.216 4.079 0.137 1
1 391 . 19 1 1 A 41 41 GLY C C 41 171.037 173.025 -1.988 1
1 392 . 19 1 1 A 41 41 GLY CA C 41 44.269 44.771 -0.502 1
1 393 . 19 1 1 A 41 41 GLY N N 41 107.997 106.245 1.752 1
1 394 . 19 1 1 A 42 42 PRO HA H 42 4.462 4.489 -0.027 1
1 401 . 19 1 1 A 42 42 PRO C C 42 176.451 176.381 0.070 1
1 402 . 19 1 1 A 42 42 PRO CA C 42 63.179 63.887 -0.708 1
1 403 . 19 1 1 A 42 42 PRO CB C 42 32.144 31.506 0.638 1
1 406 . 19 1 1 A 43 43 GLY H H 43 8.388 7.821 0.567 1
1 407 . 19 1 1 A 43 43 GLY HA2 H 43 4.065 4.122 -0.057 1
1 408 . 19 1 1 A 43 43 GLY HA3 H 43 3.808 4.128 -0.320 1
1 409 . 19 1 1 A 43 43 GLY CA C 43 45.278 45.474 -0.196 1
1 410 . 19 1 1 A 43 43 GLY N N 43 109.409 107.415 1.994 1
1 411 . 19 1 1 A 44 44 VAL H H 44 7.913 8.966 -1.053 1
1 412 . 19 1 1 A 44 44 VAL HA H 44 4.107 4.401 -0.294 1
1 420 . 19 1 1 A 44 44 VAL CA C 44 62.352 60.841 1.511 1
1 421 . 19 1 1 A 44 44 VAL CB C 44 32.777 32.614 0.163 1
1 424 . 19 1 1 A 44 44 VAL N N 44 117.689 124.516 -6.827 1
1 425 . 19 1 1 A 45 45 ASN HA H 45 4.713 5.095 -0.382 1
1 430 . 19 1 1 A 45 45 ASN CA C 45 53.201 52.340 0.861 1
1 431 . 19 1 1 A 45 45 ASN CB C 45 38.671 39.050 -0.379 1
1 433 . 19 1 1 A 46 46 VAL H H 46 7.994 7.795 0.199 1
1 434 . 19 1 1 A 46 46 VAL HA H 46 4.148 4.249 -0.101 1
1 439 . 19 1 1 A 46 46 VAL C C 46 177.834 175.871 1.963 1
1 440 . 19 1 1 A 46 46 VAL CA C 46 62.726 62.120 0.606 1
1 441 . 19 1 1 A 46 46 VAL CB C 46 32.476 31.831 0.645 1
1 443 . 19 1 1 A 46 46 VAL N N 46 118.432 119.062 -0.630 1
1 444 . 19 1 1 A 47 47 GLY HA2 H 47 3.702 3.940 -0.238 1
1 445 . 19 1 1 A 47 47 GLY HA3 H 47 4.104 3.958 0.146 1
1 446 . 19 1 1 A 47 47 GLY C C 47 173.950 173.686 0.264 1
1 447 . 19 1 1 A 47 47 GLY CA C 47 45.202 45.675 -0.473 1
1 448 . 19 1 1 A 48 48 THR H H 48 8.238 7.870 0.368 1
1 449 . 19 1 1 A 48 48 THR HA H 48 4.066 4.202 -0.136 1
1 454 . 19 1 1 A 48 48 THR C C 48 175.919 174.207 1.712 1
1 455 . 19 1 1 A 48 48 THR CA C 48 67.178 62.423 4.755 1
1 456 . 19 1 1 A 48 48 THR CB C 48 68.681 68.789 -0.108 1
1 458 . 19 1 1 A 48 48 THR N N 48 118.267 115.294 2.973 1
1 459 . 19 1 1 A 49 49 THR HA H 49 3.981 4.148 -0.167 1
1 464 . 19 1 1 A 49 49 THR CA C 49 62.689 64.357 -1.668 1
1 465 . 19 1 1 A 49 49 THR CB C 49 69.410 69.563 -0.153 1
1 467 . 19 1 1 A 50 50 ALA HA H 50 4.091 3.940 0.151 1
1 471 . 19 1 1 A 50 50 ALA C C 50 180.456 179.560 0.896 1
1 472 . 19 1 1 A 50 50 ALA CA C 50 55.053 55.234 -0.181 1
1 473 . 19 1 1 A 50 50 ALA CB C 50 18.859 18.298 0.561 1
1 474 . 19 1 1 A 51 51 LEU H H 51 7.042 7.617 -0.575 1
1 475 . 19 1 1 A 51 51 LEU HA H 51 3.446 3.393 0.053 1
1 485 . 19 1 1 A 51 51 LEU C C 51 179.170 178.862 0.308 1
1 486 . 19 1 1 A 51 51 LEU CA C 51 57.395 57.372 0.023 1
1 487 . 19 1 1 A 51 51 LEU CB C 51 39.050 41.315 -2.265 1
1 491 . 19 1 1 A 51 51 LEU N N 51 117.051 118.206 -1.155 1
1 492 . 19 1 1 A 52 52 TRP H H 52 7.992 8.412 -0.420 1
1 493 . 19 1 1 A 52 52 TRP HA H 52 4.412 4.309 0.103 1
1 502 . 19 1 1 A 52 52 TRP C C 52 178.636 178.925 -0.289 1
1 503 . 19 1 1 A 52 52 TRP CA C 52 60.762 60.150 0.612 1
1 504 . 19 1 1 A 52 52 TRP CB C 52 29.830 29.465 0.365 1
1 510 . 19 1 1 A 52 52 TRP N N 52 118.438 118.926 -0.488 1
1 512 . 19 1 1 A 53 53 LYS H H 53 8.239 8.249 -0.010 1
1 513 . 19 1 1 A 53 53 LYS HA H 53 4.077 4.023 0.054 1
1 522 . 19 1 1 A 53 53 LYS C C 53 179.777 178.922 0.855 1
1 523 . 19 1 1 A 53 53 LYS CA C 53 59.864 59.358 0.506 1
1 524 . 19 1 1 A 53 53 LYS CB C 53 32.077 32.446 -0.369 1
1 528 . 19 1 1 A 53 53 LYS N N 53 118.342 119.154 -0.812 1
1 529 . 19 1 1 A 54 54 HIS H H 54 7.592 7.876 -0.284 1
1 530 . 19 1 1 A 54 54 HIS HA H 54 4.351 4.385 -0.034 1
1 535 . 19 1 1 A 54 54 HIS C C 54 176.499 177.524 -1.025 1
1 536 . 19 1 1 A 54 54 HIS CA C 54 60.409 59.632 0.777 1
1 537 . 19 1 1 A 54 54 HIS CB C 54 28.701 30.642 -1.941 1
1 540 . 19 1 1 A 54 54 HIS N N 54 117.948 119.885 -1.937 1
1 541 . 19 1 1 A 55 55 LEU H H 55 8.223 8.580 -0.357 1
1 542 . 19 1 1 A 55 55 LEU HA H 55 3.829 3.931 -0.102 1
1 552 . 19 1 1 A 55 55 LEU C C 55 178.587 179.236 -0.649 1
1 553 . 19 1 1 A 55 55 LEU CA C 55 58.492 58.189 0.303 1
1 554 . 19 1 1 A 55 55 LEU CB C 55 42.293 41.684 0.609 1
1 558 . 19 1 1 A 55 55 LEU N N 55 118.224 119.602 -1.378 1
1 559 . 19 1 1 A 56 56 LYS H H 56 8.795 8.386 0.409 1
1 560 . 19 1 1 A 56 56 LYS HA H 56 3.823 4.254 -0.431 1
1 569 . 19 1 1 A 56 56 LYS C C 56 177.664 178.409 -0.745 1
1 570 . 19 1 1 A 56 56 LYS CA C 56 58.999 58.556 0.443 1
1 571 . 19 1 1 A 56 56 LYS CB C 56 32.395 32.099 0.296 1
1 575 . 19 1 1 A 56 56 LYS N N 56 115.460 117.516 -2.056 1
1 576 . 19 1 1 A 57 57 SER H H 57 7.600 7.701 -0.101 1
1 577 . 19 1 1 A 57 57 SER HA H 57 4.353 4.301 0.052 1
1 580 . 19 1 1 A 57 57 SER C C 57 176.451 175.637 0.814 1
1 581 . 19 1 1 A 57 57 SER CA C 57 60.480 61.184 -0.704 1
1 582 . 19 1 1 A 57 57 SER CB C 57 63.879 63.248 0.631 1
1 583 . 19 1 1 A 57 57 SER N N 57 110.773 114.913 -4.140 1
1 584 . 19 1 1 A 58 58 MET H H 58 7.685 7.681 0.004 1
1 585 . 19 1 1 A 58 58 MET HA H 58 4.555 4.514 0.041 1
1 593 . 19 1 1 A 58 58 MET C C 58 176.645 177.203 -0.558 1
1 594 . 19 1 1 A 58 58 MET CA C 58 55.158 55.331 -0.173 1
1 595 . 19 1 1 A 58 58 MET CB C 58 32.427 34.064 -1.637 1
1 598 . 19 1 1 A 58 58 MET N N 58 115.874 116.219 -0.345 1
1 599 . 19 1 1 A 59 59 HIS H H 59 7.685 7.915 -0.230 1
1 600 . 19 1 1 A 59 59 HIS HA H 59 5.357 4.646 0.711 1
1 605 . 19 1 1 A 59 59 HIS C C 59 175.140 175.562 -0.422 1
1 606 . 19 1 1 A 59 59 HIS CA C 59 53.114 55.690 -2.576 1
1 607 . 19 1 1 A 59 59 HIS CB C 59 29.080 29.192 -0.112 1
1 610 . 19 1 1 A 59 59 HIS N N 59 117.346 116.740 0.606 1
1 611 . 19 1 1 A 60 60 ARG H H 60 7.995 8.011 -0.016 1
1 612 . 19 1 1 A 60 60 ARG HA H 60 3.771 3.800 -0.029 1
1 619 . 19 1 1 A 60 60 ARG C C 60 178.684 178.598 0.086 1
1 620 . 19 1 1 A 60 60 ARG CA C 60 60.646 59.577 1.069 1
1 621 . 19 1 1 A 60 60 ARG CB C 60 29.959 29.841 0.118 1
1 624 . 19 1 1 A 60 60 ARG N N 60 120.640 122.126 -1.486 1
1 625 . 19 1 1 A 61 61 GLU H H 61 8.929 8.059 0.870 1
1 626 . 19 1 1 A 61 61 GLU HA H 61 4.046 4.133 -0.087 1
1 631 . 19 1 1 A 61 61 GLU C C 61 179.024 179.205 -0.181 1
1 632 . 19 1 1 A 61 61 GLU CA C 61 59.775 59.284 0.491 1
1 633 . 19 1 1 A 61 61 GLU CB C 61 28.926 29.507 -0.581 1
1 635 . 19 1 1 A 61 61 GLU N N 61 117.239 118.732 -1.493 1
1 636 . 19 1 1 A 62 62 GLU H H 62 8.182 8.043 0.139 1
1 637 . 19 1 1 A 62 62 GLU HA H 62 4.078 4.012 0.066 1
1 642 . 19 1 1 A 62 62 GLU C C 62 179.242 179.279 -0.037 1
1 643 . 19 1 1 A 62 62 GLU CA C 62 59.317 59.221 0.096 1
1 644 . 19 1 1 A 62 62 GLU CB C 62 28.864 29.448 -0.584 1
1 646 . 19 1 1 A 62 62 GLU N N 62 120.004 120.507 -0.503 1
1 647 . 19 1 1 A 63 63 LEU H H 63 7.849 8.146 -0.297 1
1 648 . 19 1 1 A 63 63 LEU HA H 63 4.158 3.700 0.458 1
1 658 . 19 1 1 A 63 63 LEU C C 63 179.679 178.584 1.095 1
1 659 . 19 1 1 A 63 63 LEU CA C 63 57.449 57.769 -0.320 1
1 660 . 19 1 1 A 63 63 LEU CB C 63 41.552 41.770 -0.218 1
1 664 . 19 1 1 A 63 63 LEU N N 63 119.191 120.545 -1.354 1
1 665 . 19 1 1 A 64 64 GLU H H 64 8.097 8.062 0.035 1
1 666 . 19 1 1 A 64 64 GLU HA H 64 4.113 3.974 0.139 1
1 671 . 19 1 1 A 64 64 GLU C C 64 178.951 179.166 -0.215 1
1 672 . 19 1 1 A 64 64 GLU CA C 64 58.480 59.820 -1.340 1
1 673 . 19 1 1 A 64 64 GLU CB C 64 29.548 29.033 0.515 1
1 675 . 19 1 1 A 64 64 GLU N N 64 118.834 116.888 1.946 1
1 676 . 19 1 1 A 65 65 LYS H H 65 7.854 8.117 -0.263 1
1 677 . 19 1 1 A 65 65 LYS HA H 65 4.197 4.041 0.156 1
1 685 . 19 1 1 A 65 65 LYS C C 65 177.713 178.732 -1.019 1
1 686 . 19 1 1 A 65 65 LYS CA C 65 58.154 59.273 -1.119 1
1 687 . 19 1 1 A 65 65 LYS CB C 65 32.614 32.171 0.443 1
1 691 . 19 1 1 A 65 65 LYS N N 65 119.350 120.954 -1.604 1
1 692 . 19 1 1 A 66 66 SER H H 66 7.816 7.663 0.153 1
1 693 . 19 1 1 A 66 66 SER HA H 66 4.457 4.366 0.091 1
1 696 . 19 1 1 A 66 66 SER C C 66 174.751 174.680 0.071 1
1 697 . 19 1 1 A 66 66 SER CA C 66 58.864 59.847 -0.983 1
1 698 . 19 1 1 A 66 66 SER CB C 66 64.180 63.621 0.559 1
1 699 . 19 1 1 A 66 66 SER N N 66 113.693 113.884 -0.191 1
1 700 . 19 1 1 A 67 67 GLY H H 67 7.959 8.360 -0.401 1
1 701 . 19 1 1 A 67 67 GLY HA2 H 67 4.036 4.114 -0.078 1
1 702 . 19 1 1 A 67 67 GLY HA3 H 67 3.924 4.143 -0.219 1
1 703 . 19 1 1 A 67 67 GLY C C 67 174.775 174.968 -0.193 1
1 704 . 19 1 1 A 67 67 GLY CA C 67 45.678 45.785 -0.107 1
1 705 . 19 1 1 A 67 67 GLY N N 67 108.980 108.575 0.405 1
1 706 . 19 1 1 A 68 68 HIS H H 68 8.148 7.634 0.514 1
1 707 . 19 1 1 A 68 68 HIS HA H 68 4.861 4.854 0.007 1
1 712 . 19 1 1 A 68 68 HIS C C 68 176.159 176.388 -0.229 1
1 713 . 19 1 1 A 68 68 HIS CA C 68 56.004 55.145 0.859 1
1 714 . 19 1 1 A 68 68 HIS CB C 68 31.585 29.275 2.310 1
1 717 . 19 1 1 A 68 68 HIS N N 68 119.127 118.756 0.371 1
1 718 . 19 1 1 A 69 69 GLY H H 69 8.610 8.605 0.005 1
1 719 . 19 1 1 A 69 69 GLY HA2 H 69 3.903 3.650 0.253 1
1 720 . 19 1 1 A 69 69 GLY HA3 H 69 3.903 3.651 0.252 1
1 721 . 19 1 1 A 69 69 GLY C C 69 174.290 174.888 -0.598 1
1 722 . 19 1 1 A 69 69 GLY CA C 69 45.890 47.156 -1.266 1
1 723 . 19 1 1 A 69 69 GLY N N 69 109.663 108.978 0.685 1
1 724 . 19 1 1 A 70 70 GLN H H 70 8.325 8.497 -0.172 1
1 725 . 19 1 1 A 70 70 GLN HA H 70 4.396 4.153 0.243 1
1 732 . 19 1 1 A 70 70 GLN C C 70 176.208 174.868 1.340 1
1 733 . 19 1 1 A 70 70 GLN CA C 70 55.616 55.766 -0.150 1
1 734 . 19 1 1 A 70 70 GLN CB C 70 29.441 28.013 1.428 1
1 736 . 19 1 1 A 70 70 GLN N N 70 119.031 119.763 -0.732 1
1 738 . 19 1 1 A 71 71 SER HA H 71 4.466 4.540 -0.074 1
1 741 . 19 1 1 A 71 71 SER C C 71 174.096 175.049 -0.953 1
1 742 . 19 1 1 A 71 71 SER CA C 71 58.506 59.721 -1.215 1
1 743 . 19 1 1 A 71 71 SER CB C 71 64.126 64.668 -0.542 1
1 744 . 19 1 1 A 72 72 GLY H H 72 8.136 7.439 0.697 1
1 745 . 19 1 1 A 72 72 GLY HA2 H 72 3.776 3.925 -0.149 1
1 746 . 19 1 1 A 72 72 GLY HA3 H 72 3.703 4.101 -0.398 1
1 747 . 19 1 1 A 72 72 GLY C C 72 171.644 171.788 -0.144 1
1 748 . 19 1 1 A 72 72 GLY CA C 72 44.304 44.717 -0.413 1
1 749 . 19 1 1 A 72 72 GLY N N 72 110.082 104.549 5.533 1
1 750 . 19 1 1 A 73 73 PRO HA H 73 4.408 4.557 -0.149 1
1 757 . 19 1 1 A 73 73 PRO C C 73 175.067 175.509 -0.442 1
1 758 . 19 1 1 A 73 73 PRO CA C 73 63.151 62.379 0.772 1
1 759 . 19 1 1 A 73 73 PRO CB C 73 32.225 32.954 -0.729 1
1 763 . 19 1 1 A 74 74 SER CA C 74 58.647 56.389 2.258 1
1 1 . 20 1 1 A 7 7 GLY HA2 H 7 4.246 3.986 0.260 1
1 2 . 20 1 1 A 7 7 GLY HA3 H 7 4.111 4.071 0.040 1
1 3 . 20 1 1 A 7 7 GLY CA C 7 46.145 46.804 -0.659 1
1 4 . 20 1 1 A 8 8 SER HA H 8 4.472 4.613 -0.141 1
1 7 . 20 1 1 A 8 8 SER C C 8 175.844 176.733 -0.889 1
1 8 . 20 1 1 A 8 8 SER CA C 8 60.307 59.126 1.181 1
1 9 . 20 1 1 A 8 8 SER CB C 8 63.621 64.098 -0.477 1
1 10 . 20 1 1 A 9 9 GLU H H 9 9.766 8.242 1.524 1
1 11 . 20 1 1 A 9 9 GLU HA H 9 4.354 4.122 0.232 1
1 16 . 20 1 1 A 9 9 GLU C C 9 177.495 178.803 -1.308 1
1 17 . 20 1 1 A 9 9 GLU CA C 9 58.823 59.225 -0.402 1
1 18 . 20 1 1 A 9 9 GLU CB C 9 29.080 29.929 -0.849 1
1 20 . 20 1 1 A 9 9 GLU N N 9 124.626 122.248 2.378 1
1 21 . 20 1 1 A 10 10 ALA H H 10 7.788 7.990 -0.202 1
1 22 . 20 1 1 A 10 10 ALA HA H 10 3.387 3.693 -0.306 1
1 26 . 20 1 1 A 10 10 ALA C C 10 179.145 179.600 -0.455 1
1 27 . 20 1 1 A 10 10 ALA CA C 10 54.588 54.433 0.155 1
1 28 . 20 1 1 A 10 10 ALA CB C 10 17.451 17.119 0.332 1
1 29 . 20 1 1 A 10 10 ALA N N 10 120.412 120.945 -0.533 1
1 30 . 20 1 1 A 11 11 TRP H H 11 7.481 8.243 -0.762 1
1 31 . 20 1 1 A 11 11 TRP HA H 11 4.440 4.618 -0.178 1
1 40 . 20 1 1 A 11 11 TRP C C 11 177.373 179.053 -1.680 1
1 41 . 20 1 1 A 11 11 TRP CA C 11 59.460 59.700 -0.240 1
1 42 . 20 1 1 A 11 11 TRP CB C 11 29.033 29.382 -0.349 1
1 48 . 20 1 1 A 11 11 TRP N N 11 113.286 118.208 -4.922 1
1 50 . 20 1 1 A 12 12 GLU H H 12 7.771 8.756 -0.985 1
1 51 . 20 1 1 A 12 12 GLU HA H 12 4.100 4.024 0.076 1
1 56 . 20 1 1 A 12 12 GLU C C 12 177.543 177.232 0.311 1
1 57 . 20 1 1 A 12 12 GLU CA C 12 58.195 59.345 -1.150 1
1 58 . 20 1 1 A 12 12 GLU CB C 12 29.265 28.783 0.482 1
1 60 . 20 1 1 A 12 12 GLU N N 12 117.805 118.817 -1.012 1
1 61 . 20 1 1 A 13 13 TYR H H 13 7.748 8.195 -0.447 1
1 62 . 20 1 1 A 13 13 TYR HA H 13 4.181 4.497 -0.316 1
1 69 . 20 1 1 A 13 13 TYR C C 13 172.809 174.856 -2.047 1
1 70 . 20 1 1 A 13 13 TYR CA C 13 58.524 57.570 0.954 1
1 71 . 20 1 1 A 13 13 TYR CB C 13 40.503 38.247 2.256 1
1 76 . 20 1 1 A 13 13 TYR N N 13 114.665 115.536 -0.871 1
1 77 . 20 1 1 A 14 14 PHE H H 14 7.590 8.093 -0.503 1
1 78 . 20 1 1 A 14 14 PHE HA H 14 5.336 5.583 -0.247 1
1 86 . 20 1 1 A 14 14 PHE C C 14 174.508 174.606 -0.098 1
1 87 . 20 1 1 A 14 14 PHE CA C 14 56.895 56.720 0.175 1
1 88 . 20 1 1 A 14 14 PHE CB C 14 45.117 43.492 1.625 1
1 94 . 20 1 1 A 14 14 PHE N N 14 115.479 118.106 -2.627 1
1 95 . 20 1 1 A 15 15 HIS H H 15 9.046 9.448 -0.402 1
1 96 . 20 1 1 A 15 15 HIS HA H 15 5.111 5.593 -0.482 1
1 101 . 20 1 1 A 15 15 HIS C C 15 175.455 173.329 2.126 1
1 102 . 20 1 1 A 15 15 HIS CA C 15 54.841 53.993 0.848 1
1 103 . 20 1 1 A 15 15 HIS CB C 15 33.210 32.967 0.243 1
1 106 . 20 1 1 A 15 15 HIS N N 15 118.065 117.936 0.129 1
1 107 . 20 1 1 A 16 16 LEU H H 16 8.899 8.987 -0.088 1
1 108 . 20 1 1 A 16 16 LEU HA H 16 4.624 4.222 0.402 1
1 118 . 20 1 1 A 16 16 LEU C C 16 176.256 177.388 -1.132 1
1 119 . 20 1 1 A 16 16 LEU CA C 16 54.947 55.047 -0.100 1
1 120 . 20 1 1 A 16 16 LEU CB C 16 42.540 42.325 0.215 1
1 124 . 20 1 1 A 16 16 LEU N N 16 125.895 124.851 1.044 1
1 125 . 20 1 1 A 17 17 ALA H H 17 8.412 8.633 -0.221 1
1 126 . 20 1 1 A 17 17 ALA HA H 17 4.574 4.985 -0.411 1
1 130 . 20 1 1 A 17 17 ALA C C 17 175.188 175.692 -0.504 1
1 131 . 20 1 1 A 17 17 ALA CA C 17 50.400 50.154 0.246 1
1 132 . 20 1 1 A 17 17 ALA CB C 17 18.205 19.873 -1.668 1
1 133 . 20 1 1 A 17 17 ALA N N 17 128.151 126.876 1.275 1
1 134 . 20 1 1 A 18 18 PRO HA H 18 4.373 4.712 -0.339 1
1 141 . 20 1 1 A 18 18 PRO C C 18 176.621 175.654 0.967 1
1 142 . 20 1 1 A 18 18 PRO CA C 18 62.911 62.510 0.401 1
1 143 . 20 1 1 A 18 18 PRO CB C 18 32.105 32.776 -0.671 1
1 146 . 20 1 1 A 19 19 ALA H H 19 8.434 8.335 0.099 1
1 147 . 20 1 1 A 19 19 ALA HA H 19 4.300 5.001 -0.701 1
1 151 . 20 1 1 A 19 19 ALA C C 19 177.834 175.770 2.064 1
1 152 . 20 1 1 A 19 19 ALA CA C 19 52.515 50.804 1.711 1
1 153 . 20 1 1 A 19 19 ALA CB C 19 19.359 21.418 -2.059 1
1 154 . 20 1 1 A 19 19 ALA N N 19 125.267 122.340 2.927 1
1 155 . 20 1 1 A 20 20 ARG H H 20 8.450 8.828 -0.378 1
1 156 . 20 1 1 A 20 20 ARG HA H 20 4.366 4.759 -0.393 1
1 163 . 20 1 1 A 20 20 ARG C C 20 175.795 176.176 -0.381 1
1 164 . 20 1 1 A 20 20 ARG CA C 20 55.405 54.569 0.836 1
1 165 . 20 1 1 A 20 20 ARG CB C 20 31.685 30.800 0.885 1
1 168 . 20 1 1 A 20 20 ARG N N 20 121.353 122.941 -1.588 1
1 169 . 20 1 1 A 21 21 ALA HA H 21 4.229 3.985 0.244 1
1 173 . 20 1 1 A 21 21 ALA CA C 21 53.263 53.317 -0.054 1
1 174 . 20 1 1 A 21 21 ALA CB C 21 18.577 17.332 1.245 1
1 175 . 20 1 1 A 22 22 GLY C C 22 175.407 174.481 0.926 1
1 176 . 20 1 1 A 23 23 HIS HA H 23 4.768 4.771 -0.003 1
1 181 . 20 1 1 A 23 23 HIS C C 23 178.611 175.380 3.231 1
1 182 . 20 1 1 A 23 23 HIS CA C 23 55.004 57.205 -2.201 1
1 183 . 20 1 1 A 23 23 HIS CB C 23 30.750 32.089 -1.339 1
1 186 . 20 1 1 A 24 24 HIS HA H 24 4.673 4.700 -0.027 1
1 191 . 20 1 1 A 24 24 HIS C C 24 179.801 174.520 5.281 1
1 192 . 20 1 1 A 24 24 HIS CA C 24 55.610 54.977 0.633 1
1 193 . 20 1 1 A 24 24 HIS CB C 24 31.802 33.548 -1.746 1
1 196 . 20 1 1 A 25 25 PRO HA H 25 4.429 4.395 0.034 1
1 203 . 20 1 1 A 25 25 PRO C C 25 176.888 176.203 0.685 1
1 204 . 20 1 1 A 25 25 PRO CA C 25 63.902 63.802 0.100 1
1 205 . 20 1 1 A 25 25 PRO CB C 25 32.124 31.120 1.004 1
1 208 . 20 1 1 A 26 26 ASN H H 26 9.047 8.037 1.010 1
1 209 . 20 1 1 A 26 26 ASN HA H 26 4.788 5.033 -0.245 1
1 214 . 20 1 1 A 26 26 ASN C C 26 175.140 175.258 -0.118 1
1 215 . 20 1 1 A 26 26 ASN CA C 26 53.185 51.606 1.579 1
1 216 . 20 1 1 A 26 26 ASN CB C 26 38.696 38.496 0.200 1
1 217 . 20 1 1 A 26 26 ASN N N 26 118.042 117.011 1.031 1
1 219 . 20 1 1 A 27 27 GLN H H 27 8.231 8.294 -0.063 1
1 220 . 20 1 1 A 27 27 GLN HA H 27 4.226 4.509 -0.283 1
1 227 . 20 1 1 A 27 27 GLN C C 27 175.212 175.143 0.069 1
1 228 . 20 1 1 A 27 27 GLN CA C 27 57.149 56.446 0.703 1
1 229 . 20 1 1 A 27 27 GLN CB C 27 29.741 30.455 -0.714 1
1 231 . 20 1 1 A 27 27 GLN N N 27 119.679 121.830 -2.151 1
1 233 . 20 1 1 A 28 28 TYR H H 28 8.059 7.976 0.083 1
1 234 . 20 1 1 A 28 28 TYR HA H 28 5.109 5.293 -0.184 1
1 241 . 20 1 1 A 28 28 TYR C C 28 174.290 174.520 -0.230 1
1 242 . 20 1 1 A 28 28 TYR CA C 28 56.779 56.975 -0.196 1
1 243 . 20 1 1 A 28 28 TYR CB C 28 41.333 42.232 -0.899 1
1 248 . 20 1 1 A 28 28 TYR N N 28 116.269 117.543 -1.274 1
1 249 . 20 1 1 A 29 29 ALA H H 29 8.837 8.880 -0.043 1
1 250 . 20 1 1 A 29 29 ALA HA H 29 5.054 5.324 -0.270 1
1 254 . 20 1 1 A 29 29 ALA C C 29 175.795 175.702 0.093 1
1 255 . 20 1 1 A 29 29 ALA CA C 29 50.612 50.219 0.393 1
1 256 . 20 1 1 A 29 29 ALA CB C 29 23.046 21.640 1.406 1
1 257 . 20 1 1 A 29 29 ALA N N 29 123.222 124.503 -1.281 1
1 258 . 20 1 1 A 30 30 THR H H 30 9.217 8.972 0.245 1
1 259 . 20 1 1 A 30 30 THR HA H 30 4.828 4.645 0.183 1
1 264 . 20 1 1 A 30 30 THR C C 30 173.659 174.263 -0.604 1
1 265 . 20 1 1 A 30 30 THR CA C 30 62.383 61.922 0.461 1
1 266 . 20 1 1 A 30 30 THR CB C 30 70.058 69.020 1.038 1
1 268 . 20 1 1 A 30 30 THR N N 30 119.265 117.749 1.516 1
1 269 . 20 1 1 A 31 31 CYS H H 31 8.927 8.800 0.127 1
1 270 . 20 1 1 A 31 31 CYS HA H 31 3.606 4.011 -0.405 1
1 273 . 20 1 1 A 31 31 CYS C C 31 177.956 175.327 2.629 1
1 274 . 20 1 1 A 31 31 CYS CA C 31 59.743 59.919 -0.176 1
1 275 . 20 1 1 A 31 31 CYS CB C 31 29.971 28.468 1.503 1
1 276 . 20 1 1 A 31 31 CYS N N 31 130.893 126.470 4.423 1
1 277 . 20 1 1 A 32 32 ARG H H 32 9.393 9.116 0.277 1
1 278 . 20 1 1 A 32 32 ARG HA H 32 4.043 4.364 -0.321 1
1 285 . 20 1 1 A 32 32 ARG C C 32 176.693 177.010 -0.317 1
1 286 . 20 1 1 A 32 32 ARG CA C 32 58.471 57.109 1.362 1
1 287 . 20 1 1 A 32 32 ARG CB C 32 30.553 30.152 0.401 1
1 290 . 20 1 1 A 32 32 ARG N N 32 130.594 127.843 2.751 1
1 291 . 20 1 1 A 33 33 LEU H H 33 9.135 7.622 1.513 1
1 292 . 20 1 1 A 33 33 LEU HA H 33 4.243 4.088 0.155 1
1 302 . 20 1 1 A 33 33 LEU C C 33 178.150 178.415 -0.265 1
1 303 . 20 1 1 A 33 33 LEU CA C 33 56.709 57.151 -0.442 1
1 304 . 20 1 1 A 33 33 LEU CB C 33 41.387 42.535 -1.148 1
1 308 . 20 1 1 A 33 33 LEU N N 33 121.037 117.991 3.046 1
1 309 . 20 1 1 A 34 34 CYS H H 34 8.186 8.047 0.139 1
1 310 . 20 1 1 A 34 34 CYS HA H 34 5.200 4.705 0.495 1
1 313 . 20 1 1 A 34 34 CYS C C 34 176.329 175.495 0.834 1
1 314 . 20 1 1 A 34 34 CYS CA C 34 58.365 59.609 -1.244 1
1 315 . 20 1 1 A 34 34 CYS CB C 34 32.799 29.953 2.846 1
1 316 . 20 1 1 A 34 34 CYS N N 34 115.308 113.136 2.172 1
1 317 . 20 1 1 A 35 35 GLY H H 35 8.027 8.212 -0.185 1
1 318 . 20 1 1 A 35 35 GLY HA2 H 35 3.808 4.013 -0.205 1
1 319 . 20 1 1 A 35 35 GLY HA3 H 35 4.196 4.025 0.171 1
1 320 . 20 1 1 A 35 35 GLY C C 35 173.683 174.058 -0.375 1
1 321 . 20 1 1 A 35 35 GLY CA C 35 46.313 45.368 0.945 1
1 322 . 20 1 1 A 35 35 GLY N N 35 113.546 110.456 3.090 1
1 323 . 20 1 1 A 36 36 ARG H H 36 8.272 7.244 1.028 1
1 324 . 20 1 1 A 36 36 ARG HA H 36 4.273 4.635 -0.362 1
1 331 . 20 1 1 A 36 36 ARG C C 36 175.625 176.181 -0.556 1
1 332 . 20 1 1 A 36 36 ARG CA C 36 56.774 54.685 2.089 1
1 333 . 20 1 1 A 36 36 ARG CB C 36 31.112 31.957 -0.845 1
1 336 . 20 1 1 A 36 36 ARG N N 36 121.138 119.328 1.810 1
1 337 . 20 1 1 A 37 37 GLN H H 37 8.509 8.548 -0.039 1
1 338 . 20 1 1 A 37 37 GLN HA H 37 4.888 4.870 0.018 1
1 345 . 20 1 1 A 37 37 GLN C C 37 176.184 175.132 1.052 1
1 346 . 20 1 1 A 37 37 GLN CA C 37 55.475 55.924 -0.449 1
1 347 . 20 1 1 A 37 37 GLN CB C 37 29.426 29.380 0.046 1
1 349 . 20 1 1 A 37 37 GLN N N 37 120.322 121.369 -1.047 1
1 351 . 20 1 1 A 38 38 VAL H H 38 9.281 9.204 0.077 1
1 352 . 20 1 1 A 38 38 VAL HA H 38 4.216 4.685 -0.469 1
1 360 . 20 1 1 A 38 38 VAL C C 38 174.848 175.213 -0.365 1
1 361 . 20 1 1 A 38 38 VAL CA C 38 61.243 60.992 0.251 1
1 362 . 20 1 1 A 38 38 VAL CB C 38 34.146 34.598 -0.452 1
1 365 . 20 1 1 A 38 38 VAL N N 38 125.546 125.358 0.188 1
1 366 . 20 1 1 A 39 39 SER H H 39 8.590 8.856 -0.266 1
1 367 . 20 1 1 A 39 39 SER HA H 39 4.348 4.758 -0.410 1
1 370 . 20 1 1 A 39 39 SER C C 39 174.800 174.775 0.025 1
1 371 . 20 1 1 A 39 39 SER CA C 39 57.731 56.386 1.345 1
1 372 . 20 1 1 A 39 39 SER CB C 39 64.121 64.665 -0.544 1
1 373 . 20 1 1 A 39 39 SER N N 39 120.236 121.615 -1.379 1
1 374 . 20 1 1 A 40 40 ARG H H 40 8.684 8.952 -0.268 1
1 375 . 20 1 1 A 40 40 ARG HA H 40 4.189 4.117 0.072 1
1 382 . 20 1 1 A 40 40 ARG C C 40 176.062 176.693 -0.631 1
1 383 . 20 1 1 A 40 40 ARG CA C 40 56.674 57.366 -0.692 1
1 384 . 20 1 1 A 40 40 ARG CB C 40 31.302 30.614 0.688 1
1 387 . 20 1 1 A 40 40 ARG N N 40 123.390 124.112 -0.722 1
1 388 . 20 1 1 A 41 41 GLY H H 41 7.970 7.573 0.397 1
1 389 . 20 1 1 A 41 41 GLY HA2 H 41 3.920 4.043 -0.123 1
1 390 . 20 1 1 A 41 41 GLY HA3 H 41 4.216 4.060 0.156 1
1 391 . 20 1 1 A 41 41 GLY C C 41 171.037 172.986 -1.949 1
1 392 . 20 1 1 A 41 41 GLY CA C 41 44.269 44.140 0.129 1
1 393 . 20 1 1 A 41 41 GLY N N 41 107.997 104.114 3.883 1
1 394 . 20 1 1 A 42 42 PRO HA H 42 4.462 4.221 0.241 1
1 401 . 20 1 1 A 42 42 PRO C C 42 176.451 177.364 -0.913 1
1 402 . 20 1 1 A 42 42 PRO CA C 42 63.179 63.429 -0.250 1
1 403 . 20 1 1 A 42 42 PRO CB C 42 32.144 32.395 -0.251 1
1 406 . 20 1 1 A 43 43 GLY H H 43 8.388 8.927 -0.539 1
1 407 . 20 1 1 A 43 43 GLY HA2 H 43 4.065 3.709 0.356 1
1 408 . 20 1 1 A 43 43 GLY HA3 H 43 3.808 3.712 0.096 1
1 409 . 20 1 1 A 43 43 GLY CA C 43 45.278 47.059 -1.781 1
1 410 . 20 1 1 A 43 43 GLY N N 43 109.409 111.124 -1.715 1
1 411 . 20 1 1 A 44 44 VAL H H 44 7.913 7.809 0.104 1
1 412 . 20 1 1 A 44 44 VAL HA H 44 4.107 4.523 -0.416 1
1 420 . 20 1 1 A 44 44 VAL CA C 44 62.352 60.543 1.809 1
1 421 . 20 1 1 A 44 44 VAL CB C 44 32.777 33.876 -1.099 1
1 424 . 20 1 1 A 44 44 VAL N N 44 117.689 114.742 2.947 1
1 425 . 20 1 1 A 45 45 ASN HA H 45 4.713 4.435 0.278 1
1 430 . 20 1 1 A 45 45 ASN CA C 45 53.201 54.006 -0.805 1
1 431 . 20 1 1 A 45 45 ASN CB C 45 38.671 37.617 1.054 1
1 433 . 20 1 1 A 46 46 VAL H H 46 7.994 7.887 0.107 1
1 434 . 20 1 1 A 46 46 VAL HA H 46 4.148 4.364 -0.216 1
1 439 . 20 1 1 A 46 46 VAL C C 46 177.834 175.953 1.881 1
1 440 . 20 1 1 A 46 46 VAL CA C 46 62.726 61.657 1.069 1
1 441 . 20 1 1 A 46 46 VAL CB C 46 32.476 32.149 0.327 1
1 443 . 20 1 1 A 46 46 VAL N N 46 118.432 119.036 -0.604 1
1 444 . 20 1 1 A 47 47 GLY HA2 H 47 3.702 4.022 -0.320 1
1 445 . 20 1 1 A 47 47 GLY HA3 H 47 4.104 4.029 0.075 1
1 446 . 20 1 1 A 47 47 GLY C C 47 173.950 173.748 0.202 1
1 447 . 20 1 1 A 47 47 GLY CA C 47 45.202 44.667 0.535 1
1 448 . 20 1 1 A 48 48 THR H H 48 8.238 8.364 -0.126 1
1 449 . 20 1 1 A 48 48 THR HA H 48 4.066 4.160 -0.094 1
1 454 . 20 1 1 A 48 48 THR C C 48 175.919 174.354 1.565 1
1 455 . 20 1 1 A 48 48 THR CA C 48 67.178 63.788 3.390 1
1 456 . 20 1 1 A 48 48 THR CB C 48 68.681 68.634 0.047 1
1 458 . 20 1 1 A 48 48 THR N N 48 118.267 118.860 -0.593 1
1 459 . 20 1 1 A 49 49 THR HA H 49 3.981 4.229 -0.248 1
1 464 . 20 1 1 A 49 49 THR CA C 49 62.689 64.231 -1.542 1
1 465 . 20 1 1 A 49 49 THR CB C 49 69.410 69.040 0.370 1
1 467 . 20 1 1 A 50 50 ALA HA H 50 4.091 3.905 0.186 1
1 471 . 20 1 1 A 50 50 ALA C C 50 180.456 179.493 0.963 1
1 472 . 20 1 1 A 50 50 ALA CA C 50 55.053 55.419 -0.366 1
1 473 . 20 1 1 A 50 50 ALA CB C 50 18.859 18.288 0.571 1
1 474 . 20 1 1 A 51 51 LEU H H 51 7.042 7.562 -0.520 1
1 475 . 20 1 1 A 51 51 LEU HA H 51 3.446 3.189 0.257 1
1 485 . 20 1 1 A 51 51 LEU C C 51 179.170 178.936 0.234 1
1 486 . 20 1 1 A 51 51 LEU CA C 51 57.395 57.440 -0.045 1
1 487 . 20 1 1 A 51 51 LEU CB C 51 39.050 41.568 -2.518 1
1 491 . 20 1 1 A 51 51 LEU N N 51 117.051 118.375 -1.324 1
1 492 . 20 1 1 A 52 52 TRP H H 52 7.992 8.157 -0.165 1
1 493 . 20 1 1 A 52 52 TRP HA H 52 4.412 4.287 0.125 1
1 502 . 20 1 1 A 52 52 TRP C C 52 178.636 178.918 -0.282 1
1 503 . 20 1 1 A 52 52 TRP CA C 52 60.762 60.126 0.636 1
1 504 . 20 1 1 A 52 52 TRP CB C 52 29.830 29.418 0.412 1
1 510 . 20 1 1 A 52 52 TRP N N 52 118.438 118.507 -0.069 1
1 512 . 20 1 1 A 53 53 LYS H H 53 8.239 7.773 0.466 1
1 513 . 20 1 1 A 53 53 LYS HA H 53 4.077 4.019 0.058 1
1 522 . 20 1 1 A 53 53 LYS C C 53 179.777 178.929 0.848 1
1 523 . 20 1 1 A 53 53 LYS CA C 53 59.864 59.401 0.463 1
1 524 . 20 1 1 A 53 53 LYS CB C 53 32.077 32.438 -0.361 1
1 528 . 20 1 1 A 53 53 LYS N N 53 118.342 119.233 -0.891 1
1 529 . 20 1 1 A 54 54 HIS H H 54 7.592 7.820 -0.228 1
1 530 . 20 1 1 A 54 54 HIS HA H 54 4.351 4.383 -0.032 1
1 535 . 20 1 1 A 54 54 HIS C C 54 176.499 177.462 -0.963 1
1 536 . 20 1 1 A 54 54 HIS CA C 54 60.409 59.523 0.886 1
1 537 . 20 1 1 A 54 54 HIS CB C 54 28.701 30.616 -1.915 1
1 540 . 20 1 1 A 54 54 HIS N N 54 117.948 119.855 -1.907 1
1 541 . 20 1 1 A 55 55 LEU H H 55 8.223 8.625 -0.402 1
1 542 . 20 1 1 A 55 55 LEU HA H 55 3.829 3.943 -0.114 1
1 552 . 20 1 1 A 55 55 LEU C C 55 178.587 178.941 -0.354 1
1 553 . 20 1 1 A 55 55 LEU CA C 55 58.492 58.115 0.377 1
1 554 . 20 1 1 A 55 55 LEU CB C 55 42.293 41.418 0.875 1
1 558 . 20 1 1 A 55 55 LEU N N 55 118.224 119.349 -1.125 1
1 559 . 20 1 1 A 56 56 LYS H H 56 8.795 8.374 0.421 1
1 560 . 20 1 1 A 56 56 LYS HA H 56 3.823 4.228 -0.405 1
1 569 . 20 1 1 A 56 56 LYS C C 56 177.664 178.559 -0.895 1
1 570 . 20 1 1 A 56 56 LYS CA C 56 58.999 57.895 1.104 1
1 571 . 20 1 1 A 56 56 LYS CB C 56 32.395 32.500 -0.105 1
1 575 . 20 1 1 A 56 56 LYS N N 56 115.460 117.421 -1.961 1
1 576 . 20 1 1 A 57 57 SER H H 57 7.600 7.719 -0.119 1
1 577 . 20 1 1 A 57 57 SER HA H 57 4.353 4.294 0.059 1
1 580 . 20 1 1 A 57 57 SER C C 57 176.451 175.762 0.689 1
1 581 . 20 1 1 A 57 57 SER CA C 57 60.480 61.152 -0.672 1
1 582 . 20 1 1 A 57 57 SER CB C 57 63.879 63.054 0.825 1
1 583 . 20 1 1 A 57 57 SER N N 57 110.773 114.915 -4.142 1
1 584 . 20 1 1 A 58 58 MET H H 58 7.685 7.725 -0.040 1
1 585 . 20 1 1 A 58 58 MET HA H 58 4.555 4.542 0.013 1
1 593 . 20 1 1 A 58 58 MET C C 58 176.645 177.273 -0.628 1
1 594 . 20 1 1 A 58 58 MET CA C 58 55.158 55.634 -0.476 1
1 595 . 20 1 1 A 58 58 MET CB C 58 32.427 33.657 -1.230 1
1 598 . 20 1 1 A 58 58 MET N N 58 115.874 116.370 -0.496 1
1 599 . 20 1 1 A 59 59 HIS H H 59 7.685 7.771 -0.086 1
1 600 . 20 1 1 A 59 59 HIS HA H 59 5.357 4.642 0.715 1
1 605 . 20 1 1 A 59 59 HIS C C 59 175.140 175.740 -0.600 1
1 606 . 20 1 1 A 59 59 HIS CA C 59 53.114 56.148 -3.034 1
1 607 . 20 1 1 A 59 59 HIS CB C 59 29.080 29.138 -0.058 1
1 610 . 20 1 1 A 59 59 HIS N N 59 117.346 117.194 0.152 1
1 611 . 20 1 1 A 60 60 ARG H H 60 7.995 7.958 0.037 1
1 612 . 20 1 1 A 60 60 ARG HA H 60 3.771 3.872 -0.101 1
1 619 . 20 1 1 A 60 60 ARG C C 60 178.684 178.553 0.131 1
1 620 . 20 1 1 A 60 60 ARG CA C 60 60.646 59.400 1.246 1
1 621 . 20 1 1 A 60 60 ARG CB C 60 29.959 29.850 0.109 1
1 624 . 20 1 1 A 60 60 ARG N N 60 120.640 121.995 -1.355 1
1 625 . 20 1 1 A 61 61 GLU H H 61 8.929 8.036 0.893 1
1 626 . 20 1 1 A 61 61 GLU HA H 61 4.046 4.148 -0.102 1
1 631 . 20 1 1 A 61 61 GLU C C 61 179.024 179.677 -0.653 1
1 632 . 20 1 1 A 61 61 GLU CA C 61 59.775 58.999 0.776 1
1 633 . 20 1 1 A 61 61 GLU CB C 61 28.926 29.369 -0.443 1
1 635 . 20 1 1 A 61 61 GLU N N 61 117.239 119.034 -1.795 1
1 636 . 20 1 1 A 62 62 GLU H H 62 8.182 8.096 0.086 1
1 637 . 20 1 1 A 62 62 GLU HA H 62 4.078 4.146 -0.068 1
1 642 . 20 1 1 A 62 62 GLU C C 62 179.242 179.485 -0.243 1
1 643 . 20 1 1 A 62 62 GLU CA C 62 59.317 59.108 0.209 1
1 644 . 20 1 1 A 62 62 GLU CB C 62 28.864 29.485 -0.621 1
1 646 . 20 1 1 A 62 62 GLU N N 62 120.004 120.116 -0.112 1
1 647 . 20 1 1 A 63 63 LEU H H 63 7.849 8.433 -0.584 1
1 648 . 20 1 1 A 63 63 LEU HA H 63 4.158 4.030 0.128 1
1 658 . 20 1 1 A 63 63 LEU C C 63 179.679 178.764 0.915 1
1 659 . 20 1 1 A 63 63 LEU CA C 63 57.449 58.073 -0.624 1
1 660 . 20 1 1 A 63 63 LEU CB C 63 41.552 41.700 -0.148 1
1 664 . 20 1 1 A 63 63 LEU N N 63 119.191 120.750 -1.559 1
1 665 . 20 1 1 A 64 64 GLU H H 64 8.097 8.224 -0.127 1
1 666 . 20 1 1 A 64 64 GLU HA H 64 4.113 3.957 0.156 1
1 671 . 20 1 1 A 64 64 GLU C C 64 178.951 179.570 -0.619 1
1 672 . 20 1 1 A 64 64 GLU CA C 64 58.480 59.786 -1.306 1
1 673 . 20 1 1 A 64 64 GLU CB C 64 29.548 29.111 0.437 1
1 675 . 20 1 1 A 64 64 GLU N N 64 118.834 117.539 1.295 1
1 676 . 20 1 1 A 65 65 LYS H H 65 7.854 8.025 -0.171 1
1 677 . 20 1 1 A 65 65 LYS HA H 65 4.197 4.093 0.104 1
1 685 . 20 1 1 A 65 65 LYS C C 65 177.713 177.586 0.127 1
1 686 . 20 1 1 A 65 65 LYS CA C 65 58.154 59.311 -1.157 1
1 687 . 20 1 1 A 65 65 LYS CB C 65 32.614 32.390 0.224 1
1 691 . 20 1 1 A 65 65 LYS N N 65 119.350 120.337 -0.987 1
1 692 . 20 1 1 A 66 66 SER H H 66 7.816 7.863 -0.047 1
1 693 . 20 1 1 A 66 66 SER HA H 66 4.457 4.721 -0.264 1
1 696 . 20 1 1 A 66 66 SER C C 66 174.751 175.124 -0.373 1
1 697 . 20 1 1 A 66 66 SER CA C 66 58.864 57.376 1.488 1
1 698 . 20 1 1 A 66 66 SER CB C 66 64.180 65.764 -1.584 1
1 699 . 20 1 1 A 66 66 SER N N 66 113.693 113.727 -0.034 1
1 700 . 20 1 1 A 67 67 GLY H H 67 7.959 8.535 -0.576 1
1 701 . 20 1 1 A 67 67 GLY HA2 H 67 4.036 3.752 0.284 1
1 702 . 20 1 1 A 67 67 GLY HA3 H 67 3.924 3.820 0.104 1
1 703 . 20 1 1 A 67 67 GLY C C 67 174.775 173.707 1.068 1
1 704 . 20 1 1 A 67 67 GLY CA C 67 45.678 46.867 -1.189 1
1 705 . 20 1 1 A 67 67 GLY N N 67 108.980 111.488 -2.508 1
1 706 . 20 1 1 A 68 68 HIS H H 68 8.148 8.083 0.065 1
1 707 . 20 1 1 A 68 68 HIS HA H 68 4.861 4.876 -0.015 1
1 712 . 20 1 1 A 68 68 HIS C C 68 176.159 177.255 -1.096 1
1 713 . 20 1 1 A 68 68 HIS CA C 68 56.004 57.205 -1.201 1
1 714 . 20 1 1 A 68 68 HIS CB C 68 31.585 31.439 0.146 1
1 717 . 20 1 1 A 68 68 HIS N N 68 119.127 117.063 2.064 1
1 718 . 20 1 1 A 69 69 GLY H H 69 8.610 8.557 0.053 1
1 719 . 20 1 1 A 69 69 GLY HA2 H 69 3.903 3.713 0.190 1
1 720 . 20 1 1 A 69 69 GLY HA3 H 69 3.903 3.746 0.157 1
1 721 . 20 1 1 A 69 69 GLY C C 69 174.290 174.991 -0.701 1
1 722 . 20 1 1 A 69 69 GLY CA C 69 45.890 47.333 -1.443 1
1 723 . 20 1 1 A 69 69 GLY N N 69 109.663 107.410 2.253 1
1 724 . 20 1 1 A 70 70 GLN H H 70 8.325 7.909 0.416 1
1 725 . 20 1 1 A 70 70 GLN HA H 70 4.396 4.395 0.001 1
1 732 . 20 1 1 A 70 70 GLN C C 70 176.208 174.579 1.629 1
1 733 . 20 1 1 A 70 70 GLN CA C 70 55.616 55.658 -0.042 1
1 734 . 20 1 1 A 70 70 GLN CB C 70 29.441 28.813 0.628 1
1 736 . 20 1 1 A 70 70 GLN N N 70 119.031 118.696 0.335 1
1 738 . 20 1 1 A 71 71 SER HA H 71 4.466 4.774 -0.308 1
1 741 . 20 1 1 A 71 71 SER C C 71 174.096 174.079 0.017 1
1 742 . 20 1 1 A 71 71 SER CA C 71 58.506 57.511 0.995 1
1 743 . 20 1 1 A 71 71 SER CB C 71 64.126 62.330 1.796 1
1 744 . 20 1 1 A 72 72 GLY H H 72 8.136 8.202 -0.066 1
1 745 . 20 1 1 A 72 72 GLY HA2 H 72 3.776 4.060 -0.284 1
1 746 . 20 1 1 A 72 72 GLY HA3 H 72 3.703 4.068 -0.365 1
1 747 . 20 1 1 A 72 72 GLY C C 72 171.644 173.858 -2.214 1
1 748 . 20 1 1 A 72 72 GLY CA C 72 44.304 45.630 -1.326 1
1 749 . 20 1 1 A 72 72 GLY N N 72 110.082 111.689 -1.607 1
1 750 . 20 1 1 A 73 73 PRO HA H 73 4.408 4.429 -0.021 1
1 757 . 20 1 1 A 73 73 PRO C C 73 175.067 175.821 -0.754 1
1 758 . 20 1 1 A 73 73 PRO CA C 73 63.151 64.303 -1.152 1
1 759 . 20 1 1 A 73 73 PRO CB C 73 32.225 32.213 0.012 1
1 763 . 20 1 1 A 74 74 SER CA C 74 58.647 56.765 1.882 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 61 1.314 1
2 1 1 1 "RMS(OBS, PRED)" CA 67 1.347 1
3 1 1 1 "RMS(OBS, PRED)" CB 58 1.160 1
4 1 1 1 "RMS(OBS, PRED)" H 52 0.505 1
5 1 1 1 "RMS(OBS, PRED)" HA 74 0.253 1
6 1 1 1 "RMS(OBS, PRED)" N 52 2.198 1
7 1 2 1 "RMS(OBS, PRED)" C 61 1.326 1
8 1 2 1 "RMS(OBS, PRED)" CA 67 1.331 1
9 1 2 1 "RMS(OBS, PRED)" CB 58 1.236 1
10 1 2 1 "RMS(OBS, PRED)" H 52 0.457 1
11 1 2 1 "RMS(OBS, PRED)" HA 74 0.291 1
12 1 2 1 "RMS(OBS, PRED)" N 52 2.213 1
13 1 3 1 "RMS(OBS, PRED)" C 61 1.281 1
14 1 3 1 "RMS(OBS, PRED)" CA 67 1.209 1
15 1 3 1 "RMS(OBS, PRED)" CB 58 1.083 1
16 1 3 1 "RMS(OBS, PRED)" H 52 0.524 1
17 1 3 1 "RMS(OBS, PRED)" HA 74 0.261 1
18 1 3 1 "RMS(OBS, PRED)" N 52 2.183 1
19 1 4 1 "RMS(OBS, PRED)" C 61 1.277 1
20 1 4 1 "RMS(OBS, PRED)" CA 67 1.271 1
21 1 4 1 "RMS(OBS, PRED)" CB 58 1.101 1
22 1 4 1 "RMS(OBS, PRED)" H 52 0.511 1
23 1 4 1 "RMS(OBS, PRED)" HA 74 0.246 1
24 1 4 1 "RMS(OBS, PRED)" N 52 2.308 1
25 1 5 1 "RMS(OBS, PRED)" C 61 1.261 1
26 1 5 1 "RMS(OBS, PRED)" CA 67 1.270 1
27 1 5 1 "RMS(OBS, PRED)" CB 58 1.145 1
28 1 5 1 "RMS(OBS, PRED)" H 52 0.562 1
29 1 5 1 "RMS(OBS, PRED)" HA 74 0.259 1
30 1 5 1 "RMS(OBS, PRED)" N 52 2.269 1
31 1 6 1 "RMS(OBS, PRED)" C 61 1.217 1
32 1 6 1 "RMS(OBS, PRED)" CA 67 1.196 1
33 1 6 1 "RMS(OBS, PRED)" CB 58 1.151 1
34 1 6 1 "RMS(OBS, PRED)" H 52 0.493 1
35 1 6 1 "RMS(OBS, PRED)" HA 74 0.246 1
36 1 6 1 "RMS(OBS, PRED)" N 52 2.063 1
37 1 7 1 "RMS(OBS, PRED)" C 61 1.146 1
38 1 7 1 "RMS(OBS, PRED)" CA 67 1.298 1
39 1 7 1 "RMS(OBS, PRED)" CB 58 1.125 1
40 1 7 1 "RMS(OBS, PRED)" H 52 0.518 1
41 1 7 1 "RMS(OBS, PRED)" HA 74 0.294 1
42 1 7 1 "RMS(OBS, PRED)" N 52 2.440 1
43 1 8 1 "RMS(OBS, PRED)" C 61 1.332 1
44 1 8 1 "RMS(OBS, PRED)" CA 67 1.258 1
45 1 8 1 "RMS(OBS, PRED)" CB 58 1.148 1
46 1 8 1 "RMS(OBS, PRED)" H 52 0.565 1
47 1 8 1 "RMS(OBS, PRED)" HA 74 0.251 1
48 1 8 1 "RMS(OBS, PRED)" N 52 2.261 1
49 1 9 1 "RMS(OBS, PRED)" C 61 1.277 1
50 1 9 1 "RMS(OBS, PRED)" CA 67 1.156 1
51 1 9 1 "RMS(OBS, PRED)" CB 58 1.052 1
52 1 9 1 "RMS(OBS, PRED)" H 52 0.572 1
53 1 9 1 "RMS(OBS, PRED)" HA 74 0.234 1
54 1 9 1 "RMS(OBS, PRED)" N 52 2.165 1
55 1 10 1 "RMS(OBS, PRED)" C 61 1.081 1
56 1 10 1 "RMS(OBS, PRED)" CA 67 1.200 1
57 1 10 1 "RMS(OBS, PRED)" CB 58 1.118 1
58 1 10 1 "RMS(OBS, PRED)" H 52 0.537 1
59 1 10 1 "RMS(OBS, PRED)" HA 74 0.243 1
60 1 10 1 "RMS(OBS, PRED)" N 52 2.360 1
61 1 11 1 "RMS(OBS, PRED)" C 61 1.345 1
62 1 11 1 "RMS(OBS, PRED)" CA 67 1.119 1
63 1 11 1 "RMS(OBS, PRED)" CB 58 1.200 1
64 1 11 1 "RMS(OBS, PRED)" H 52 0.466 1
65 1 11 1 "RMS(OBS, PRED)" HA 74 0.246 1
66 1 11 1 "RMS(OBS, PRED)" N 52 2.227 1
67 1 12 1 "RMS(OBS, PRED)" C 61 1.408 1
68 1 12 1 "RMS(OBS, PRED)" CA 67 1.255 1
69 1 12 1 "RMS(OBS, PRED)" CB 58 1.199 1
70 1 12 1 "RMS(OBS, PRED)" H 52 0.501 1
71 1 12 1 "RMS(OBS, PRED)" HA 74 0.274 1
72 1 12 1 "RMS(OBS, PRED)" N 52 2.169 1
73 1 13 1 "RMS(OBS, PRED)" C 61 1.282 1
74 1 13 1 "RMS(OBS, PRED)" CA 67 1.326 1
75 1 13 1 "RMS(OBS, PRED)" CB 58 1.119 1
76 1 13 1 "RMS(OBS, PRED)" H 52 0.531 1
77 1 13 1 "RMS(OBS, PRED)" HA 74 0.262 1
78 1 13 1 "RMS(OBS, PRED)" N 52 2.652 1
79 1 14 1 "RMS(OBS, PRED)" C 61 1.254 1
80 1 14 1 "RMS(OBS, PRED)" CA 67 1.358 1
81 1 14 1 "RMS(OBS, PRED)" CB 58 1.166 1
82 1 14 1 "RMS(OBS, PRED)" H 52 0.501 1
83 1 14 1 "RMS(OBS, PRED)" HA 74 0.266 1
84 1 14 1 "RMS(OBS, PRED)" N 52 2.473 1
85 1 15 1 "RMS(OBS, PRED)" C 61 1.380 1
86 1 15 1 "RMS(OBS, PRED)" CA 67 1.155 1
87 1 15 1 "RMS(OBS, PRED)" CB 58 1.149 1
88 1 15 1 "RMS(OBS, PRED)" H 52 0.517 1
89 1 15 1 "RMS(OBS, PRED)" HA 74 0.256 1
90 1 15 1 "RMS(OBS, PRED)" N 52 2.292 1
91 1 16 1 "RMS(OBS, PRED)" C 61 1.344 1
92 1 16 1 "RMS(OBS, PRED)" CA 67 1.149 1
93 1 16 1 "RMS(OBS, PRED)" CB 58 1.073 1
94 1 16 1 "RMS(OBS, PRED)" H 52 0.494 1
95 1 16 1 "RMS(OBS, PRED)" HA 74 0.247 1
96 1 16 1 "RMS(OBS, PRED)" N 52 2.384 1
97 1 17 1 "RMS(OBS, PRED)" C 61 1.274 1
98 1 17 1 "RMS(OBS, PRED)" CA 67 1.193 1
99 1 17 1 "RMS(OBS, PRED)" CB 58 1.355 1
100 1 17 1 "RMS(OBS, PRED)" H 52 0.540 1
101 1 17 1 "RMS(OBS, PRED)" HA 74 0.286 1
102 1 17 1 "RMS(OBS, PRED)" N 52 2.356 1
103 1 18 1 "RMS(OBS, PRED)" C 61 1.475 1
104 1 18 1 "RMS(OBS, PRED)" CA 67 1.373 1
105 1 18 1 "RMS(OBS, PRED)" CB 58 1.044 1
106 1 18 1 "RMS(OBS, PRED)" H 52 0.501 1
107 1 18 1 "RMS(OBS, PRED)" HA 74 0.248 1
108 1 18 1 "RMS(OBS, PRED)" N 52 2.238 1
109 1 19 1 "RMS(OBS, PRED)" C 61 1.195 1
110 1 19 1 "RMS(OBS, PRED)" CA 67 1.169 1
111 1 19 1 "RMS(OBS, PRED)" CB 58 1.123 1
112 1 19 1 "RMS(OBS, PRED)" H 52 0.515 1
113 1 19 1 "RMS(OBS, PRED)" HA 74 0.251 1
114 1 19 1 "RMS(OBS, PRED)" N 52 2.298 1
115 1 20 1 "RMS(OBS, PRED)" C 61 1.288 1
116 1 20 1 "RMS(OBS, PRED)" CA 67 1.133 1
117 1 20 1 "RMS(OBS, PRED)" CB 58 1.077 1
118 1 20 1 "RMS(OBS, PRED)" H 52 0.497 1
119 1 20 1 "RMS(OBS, PRED)" HA 74 0.270 1
120 1 20 1 "RMS(OBS, PRED)" N 52 2.010 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 7 7 GLY HA2 H 7 4.246 4.111 0.135 2
1 2 . 1 1 A 7 7 GLY HA3 H 7 4.111 4.148 -0.037 2
1 3 . 1 1 A 7 7 GLY CA C 7 46.145 46.260 -0.115 2
1 4 . 1 1 A 8 8 SER HA H 8 4.472 4.680 -0.208 2
1 7 . 1 1 A 8 8 SER C C 8 175.844 175.171 0.674 2
1 8 . 1 1 A 8 8 SER CA C 8 60.307 58.867 1.440 2
1 9 . 1 1 A 8 8 SER CB C 8 63.621 62.985 0.636 2
1 10 . 1 1 A 9 9 GLU H H 9 9.766 8.377 1.389 2
1 11 . 1 1 A 9 9 GLU HA H 9 4.354 4.252 0.102 2
1 16 . 1 1 A 9 9 GLU C C 9 177.495 178.776 -1.281 2
1 17 . 1 1 A 9 9 GLU CA C 9 58.823 59.066 -0.243 2
1 18 . 1 1 A 9 9 GLU CB C 9 29.080 29.693 -0.613 2
1 20 . 1 1 A 9 9 GLU N N 9 124.626 121.773 2.853 2
1 21 . 1 1 A 10 10 ALA H H 10 7.788 8.037 -0.249 2
1 22 . 1 1 A 10 10 ALA HA H 10 3.387 3.767 -0.380 2
1 26 . 1 1 A 10 10 ALA C C 10 179.145 179.496 -0.351 2
1 27 . 1 1 A 10 10 ALA CA C 10 54.588 54.438 0.150 2
1 28 . 1 1 A 10 10 ALA CB C 10 17.451 17.110 0.341 2
1 29 . 1 1 A 10 10 ALA N N 10 120.412 121.235 -0.823 2
1 30 . 1 1 A 11 11 TRP H H 11 7.481 8.104 -0.623 2
1 31 . 1 1 A 11 11 TRP HA H 11 4.440 4.610 -0.170 2
1 40 . 1 1 A 11 11 TRP C C 11 177.373 179.071 -1.698 2
1 41 . 1 1 A 11 11 TRP CA C 11 59.460 59.806 -0.346 2
1 42 . 1 1 A 11 11 TRP CB C 11 29.033 29.292 -0.259 2
1 48 . 1 1 A 11 11 TRP N N 11 113.286 118.067 -4.782 2
1 50 . 1 1 A 12 12 GLU H H 12 7.771 9.010 -1.239 2
1 51 . 1 1 A 12 12 GLU HA H 12 4.100 4.065 0.035 2
1 56 . 1 1 A 12 12 GLU C C 12 177.543 177.098 0.445 2
1 57 . 1 1 A 12 12 GLU CA C 12 58.195 59.222 -1.027 2
1 58 . 1 1 A 12 12 GLU CB C 12 29.265 29.015 0.250 2
1 60 . 1 1 A 12 12 GLU N N 12 117.805 118.983 -1.178 2
1 61 . 1 1 A 13 13 TYR H H 13 7.748 8.271 -0.523 2
1 62 . 1 1 A 13 13 TYR HA H 13 4.181 4.562 -0.381 2
1 69 . 1 1 A 13 13 TYR C C 13 172.809 174.859 -2.050 2
1 70 . 1 1 A 13 13 TYR CA C 13 58.524 57.657 0.867 2
1 71 . 1 1 A 13 13 TYR CB C 13 40.503 38.427 2.076 2
1 76 . 1 1 A 13 13 TYR N N 13 114.665 115.955 -1.290 2
1 77 . 1 1 A 14 14 PHE H H 14 7.590 8.124 -0.534 2
1 78 . 1 1 A 14 14 PHE HA H 14 5.336 5.553 -0.217 2
1 86 . 1 1 A 14 14 PHE C C 14 174.508 174.691 -0.183 2
1 87 . 1 1 A 14 14 PHE CA C 14 56.895 56.603 0.292 2
1 88 . 1 1 A 14 14 PHE CB C 14 45.117 43.437 1.680 2
1 94 . 1 1 A 14 14 PHE N N 14 115.479 118.439 -2.960 2
1 95 . 1 1 A 15 15 HIS H H 15 9.046 9.398 -0.352 2
1 96 . 1 1 A 15 15 HIS HA H 15 5.111 5.599 -0.488 2
1 101 . 1 1 A 15 15 HIS C C 15 175.455 173.544 1.911 2
1 102 . 1 1 A 15 15 HIS CA C 15 54.841 53.959 0.882 2
1 103 . 1 1 A 15 15 HIS CB C 15 33.210 32.940 0.270 2
1 106 . 1 1 A 15 15 HIS N N 15 118.065 117.794 0.271 2
1 107 . 1 1 A 16 16 LEU H H 16 8.899 8.976 -0.078 2
1 108 . 1 1 A 16 16 LEU HA H 16 4.624 4.255 0.369 2
1 118 . 1 1 A 16 16 LEU C C 16 176.256 177.390 -1.134 2
1 119 . 1 1 A 16 16 LEU CA C 16 54.947 55.210 -0.263 2
1 120 . 1 1 A 16 16 LEU CB C 16 42.540 42.195 0.345 2
1 124 . 1 1 A 16 16 LEU N N 16 125.895 125.208 0.687 2
1 125 . 1 1 A 17 17 ALA H H 17 8.412 8.400 0.012 2
1 126 . 1 1 A 17 17 ALA HA H 17 4.574 4.955 -0.382 2
1 130 . 1 1 A 17 17 ALA C C 17 175.188 175.656 -0.468 2
1 131 . 1 1 A 17 17 ALA CA C 17 50.400 50.315 0.085 2
1 132 . 1 1 A 17 17 ALA CB C 17 18.205 19.574 -1.369 2
1 133 . 1 1 A 17 17 ALA N N 17 128.151 126.870 1.281 2
1 134 . 1 1 A 18 18 PRO HA H 18 4.373 4.619 -0.246 2
1 141 . 1 1 A 18 18 PRO C C 18 176.621 176.280 0.341 2
1 142 . 1 1 A 18 18 PRO CA C 18 62.911 62.546 0.365 2
1 143 . 1 1 A 18 18 PRO CB C 18 32.105 32.500 -0.395 2
1 146 . 1 1 A 19 19 ALA H H 19 8.434 8.467 -0.033 2
1 147 . 1 1 A 19 19 ALA HA H 19 4.300 4.511 -0.211 2
1 151 . 1 1 A 19 19 ALA C C 19 177.834 177.120 0.714 2
1 152 . 1 1 A 19 19 ALA CA C 19 52.515 51.967 0.548 2
1 153 . 1 1 A 19 19 ALA CB C 19 19.359 19.986 -0.627 2
1 154 . 1 1 A 19 19 ALA N N 19 125.267 124.750 0.517 2
1 155 . 1 1 A 20 20 ARG H H 20 8.450 8.516 -0.066 2
1 156 . 1 1 A 20 20 ARG HA H 20 4.366 4.512 -0.146 2
1 163 . 1 1 A 20 20 ARG C C 20 175.795 176.633 -0.838 2
1 164 . 1 1 A 20 20 ARG CA C 20 55.405 56.429 -1.024 2
1 165 . 1 1 A 20 20 ARG CB C 20 31.685 30.951 0.734 2
1 168 . 1 1 A 20 20 ARG N N 20 121.353 121.610 -0.257 2
1 169 . 1 1 A 21 21 ALA HA H 21 4.229 4.237 -0.008 2
1 173 . 1 1 A 21 21 ALA CA C 21 53.263 52.841 0.422 2
1 174 . 1 1 A 21 21 ALA CB C 21 18.577 19.579 -1.002 2
1 175 . 1 1 A 22 22 GLY C C 22 175.407 173.965 1.442 2
1 176 . 1 1 A 23 23 HIS HA H 23 4.768 4.621 0.147 2
1 181 . 1 1 A 23 23 HIS C C 23 178.611 174.996 3.615 2
1 182 . 1 1 A 23 23 HIS CA C 23 55.004 56.374 -1.370 2
1 183 . 1 1 A 23 23 HIS CB C 23 30.750 30.799 -0.049 2
1 186 . 1 1 A 24 24 HIS HA H 24 4.673 4.594 0.079 2
1 191 . 1 1 A 24 24 HIS C C 24 179.801 175.082 4.719 2
1 192 . 1 1 A 24 24 HIS CA C 24 55.610 54.916 0.694 2
1 193 . 1 1 A 24 24 HIS CB C 24 31.802 30.356 1.446 2
1 196 . 1 1 A 25 25 PRO HA H 25 4.429 4.333 0.096 2
1 203 . 1 1 A 25 25 PRO C C 25 176.888 176.606 0.282 2
1 204 . 1 1 A 25 25 PRO CA C 25 63.902 63.399 0.503 2
1 205 . 1 1 A 25 25 PRO CB C 25 32.124 32.075 0.049 2
1 208 . 1 1 A 26 26 ASN H H 26 9.047 8.600 0.447 2
1 209 . 1 1 A 26 26 ASN HA H 26 4.788 4.642 0.146 2
1 214 . 1 1 A 26 26 ASN C C 26 175.140 175.540 -0.400 2
1 215 . 1 1 A 26 26 ASN CA C 26 53.185 53.296 -0.111 2
1 216 . 1 1 A 26 26 ASN CB C 26 38.696 37.784 0.912 2
1 217 . 1 1 A 26 26 ASN N N 26 118.042 116.602 1.440 2
1 219 . 1 1 A 27 27 GLN H H 27 8.231 8.171 0.060 2
1 220 . 1 1 A 27 27 GLN HA H 27 4.226 4.361 -0.135 2
1 227 . 1 1 A 27 27 GLN C C 27 175.212 174.926 0.286 2
1 228 . 1 1 A 27 27 GLN CA C 27 57.149 57.257 -0.108 2
1 229 . 1 1 A 27 27 GLN CB C 27 29.741 29.875 -0.134 2
1 231 . 1 1 A 27 27 GLN N N 27 119.679 118.382 1.297 2
1 233 . 1 1 A 28 28 TYR H H 28 8.059 7.844 0.215 2
1 234 . 1 1 A 28 28 TYR HA H 28 5.109 5.229 -0.120 2
1 241 . 1 1 A 28 28 TYR C C 28 174.290 174.575 -0.285 2
1 242 . 1 1 A 28 28 TYR CA C 28 56.779 56.838 -0.059 2
1 243 . 1 1 A 28 28 TYR CB C 28 41.333 42.113 -0.780 2
1 248 . 1 1 A 28 28 TYR N N 28 116.269 116.655 -0.386 2
1 249 . 1 1 A 29 29 ALA H H 29 8.837 8.951 -0.114 2
1 250 . 1 1 A 29 29 ALA HA H 29 5.054 5.342 -0.288 2
1 254 . 1 1 A 29 29 ALA C C 29 175.795 175.744 0.051 2
1 255 . 1 1 A 29 29 ALA CA C 29 50.612 50.245 0.367 2
1 256 . 1 1 A 29 29 ALA CB C 29 23.046 21.664 1.382 2
1 257 . 1 1 A 29 29 ALA N N 29 123.222 123.810 -0.588 2
1 258 . 1 1 A 30 30 THR H H 30 9.217 8.995 0.222 2
1 259 . 1 1 A 30 30 THR HA H 30 4.828 4.687 0.141 2
1 264 . 1 1 A 30 30 THR C C 30 173.659 174.111 -0.452 2
1 265 . 1 1 A 30 30 THR CA C 30 62.383 61.999 0.384 2
1 266 . 1 1 A 30 30 THR CB C 30 70.058 69.114 0.944 2
1 268 . 1 1 A 30 30 THR N N 30 119.265 117.933 1.332 2
1 269 . 1 1 A 31 31 CYS H H 31 8.927 8.842 0.085 2
1 270 . 1 1 A 31 31 CYS HA H 31 3.606 3.947 -0.341 2
1 273 . 1 1 A 31 31 CYS C C 31 177.956 175.509 2.447 2
1 274 . 1 1 A 31 31 CYS CA C 31 59.743 59.744 -0.001 2
1 275 . 1 1 A 31 31 CYS CB C 31 29.971 28.465 1.506 2
1 276 . 1 1 A 31 31 CYS N N 31 130.893 126.566 4.327 2
1 277 . 1 1 A 32 32 ARG H H 32 9.393 9.087 0.306 2
1 278 . 1 1 A 32 32 ARG HA H 32 4.043 4.294 -0.251 2
1 285 . 1 1 A 32 32 ARG C C 32 176.693 176.972 -0.279 2
1 286 . 1 1 A 32 32 ARG CA C 32 58.471 57.668 0.803 2
1 287 . 1 1 A 32 32 ARG CB C 32 30.553 30.100 0.453 2
1 290 . 1 1 A 32 32 ARG N N 32 130.594 127.809 2.785 2
1 291 . 1 1 A 33 33 LEU H H 33 9.135 7.499 1.636 2
1 292 . 1 1 A 33 33 LEU HA H 33 4.243 4.108 0.135 2
1 302 . 1 1 A 33 33 LEU C C 33 178.150 178.438 -0.288 2
1 303 . 1 1 A 33 33 LEU CA C 33 56.709 57.131 -0.422 2
1 304 . 1 1 A 33 33 LEU CB C 33 41.387 42.751 -1.364 2
1 308 . 1 1 A 33 33 LEU N N 33 121.037 117.879 3.158 2
1 309 . 1 1 A 34 34 CYS H H 34 8.186 7.992 0.194 2
1 310 . 1 1 A 34 34 CYS HA H 34 5.200 4.700 0.500 2
1 313 . 1 1 A 34 34 CYS C C 34 176.329 175.582 0.747 2
1 314 . 1 1 A 34 34 CYS CA C 34 58.365 59.478 -1.113 2
1 315 . 1 1 A 34 34 CYS CB C 34 32.799 30.059 2.740 2
1 316 . 1 1 A 34 34 CYS N N 34 115.308 113.191 2.117 2
1 317 . 1 1 A 35 35 GLY H H 35 8.027 8.198 -0.171 2
1 318 . 1 1 A 35 35 GLY HA2 H 35 3.808 4.000 -0.192 2
1 319 . 1 1 A 35 35 GLY HA3 H 35 4.196 4.015 0.181 2
1 320 . 1 1 A 35 35 GLY C C 35 173.683 174.138 -0.455 2
1 321 . 1 1 A 35 35 GLY CA C 35 46.313 45.407 0.906 2
1 322 . 1 1 A 35 35 GLY N N 35 113.546 110.391 3.155 2
1 323 . 1 1 A 36 36 ARG H H 36 8.272 7.249 1.023 2
1 324 . 1 1 A 36 36 ARG HA H 36 4.273 4.541 -0.268 2
1 331 . 1 1 A 36 36 ARG C C 36 175.625 175.945 -0.320 2
1 332 . 1 1 A 36 36 ARG CA C 36 56.774 55.019 1.755 2
1 333 . 1 1 A 36 36 ARG CB C 36 31.112 31.724 -0.612 2
1 336 . 1 1 A 36 36 ARG N N 36 121.138 119.504 1.634 2
1 337 . 1 1 A 37 37 GLN H H 37 8.509 8.578 -0.069 2
1 338 . 1 1 A 37 37 GLN HA H 37 4.888 5.005 -0.117 2
1 345 . 1 1 A 37 37 GLN C C 37 176.184 175.101 1.083 2
1 346 . 1 1 A 37 37 GLN CA C 37 55.475 55.784 -0.309 2
1 347 . 1 1 A 37 37 GLN CB C 37 29.426 29.542 -0.116 2
1 349 . 1 1 A 37 37 GLN N N 37 120.322 121.387 -1.065 2
1 351 . 1 1 A 38 38 VAL H H 38 9.281 9.212 0.069 2
1 352 . 1 1 A 38 38 VAL HA H 38 4.216 4.508 -0.292 2
1 360 . 1 1 A 38 38 VAL C C 38 174.848 175.099 -0.251 2
1 361 . 1 1 A 38 38 VAL CA C 38 61.243 61.255 -0.012 2
1 362 . 1 1 A 38 38 VAL CB C 38 34.146 34.220 -0.074 2
1 365 . 1 1 A 38 38 VAL N N 38 125.546 125.100 0.446 2
1 366 . 1 1 A 39 39 SER H H 39 8.590 8.690 -0.100 2
1 367 . 1 1 A 39 39 SER HA H 39 4.348 4.536 -0.188 2
1 370 . 1 1 A 39 39 SER C C 39 174.800 174.750 0.050 2
1 371 . 1 1 A 39 39 SER CA C 39 57.731 56.796 0.935 2
1 372 . 1 1 A 39 39 SER CB C 39 64.121 64.132 -0.011 2
1 373 . 1 1 A 39 39 SER N N 39 120.236 121.882 -1.646 2
1 374 . 1 1 A 40 40 ARG H H 40 8.684 8.761 -0.077 2
1 375 . 1 1 A 40 40 ARG HA H 40 4.189 4.216 -0.027 2
1 382 . 1 1 A 40 40 ARG C C 40 176.062 176.670 -0.608 2
1 383 . 1 1 A 40 40 ARG CA C 40 56.674 57.017 -0.343 2
1 384 . 1 1 A 40 40 ARG CB C 40 31.302 31.188 0.114 2
1 387 . 1 1 A 40 40 ARG N N 40 123.390 122.593 0.797 2
1 388 . 1 1 A 41 41 GLY H H 41 7.970 7.716 0.254 2
1 389 . 1 1 A 41 41 GLY HA2 H 41 3.920 4.052 -0.132 2
1 390 . 1 1 A 41 41 GLY HA3 H 41 4.216 4.067 0.149 2
1 391 . 1 1 A 41 41 GLY C C 41 171.037 173.535 -2.498 2
1 392 . 1 1 A 41 41 GLY CA C 41 44.269 44.532 -0.263 2
1 393 . 1 1 A 41 41 GLY N N 41 107.997 106.274 1.723 2
1 394 . 1 1 A 42 42 PRO HA H 42 4.462 4.370 0.092 2
1 401 . 1 1 A 42 42 PRO C C 42 176.451 177.132 -0.681 2
1 402 . 1 1 A 42 42 PRO CA C 42 63.179 63.910 -0.731 2
1 403 . 1 1 A 42 42 PRO CB C 42 32.144 31.816 0.328 2
1 406 . 1 1 A 43 43 GLY H H 43 8.388 8.406 -0.018 2
1 407 . 1 1 A 43 43 GLY HA2 H 43 4.065 3.975 0.090 2
1 408 . 1 1 A 43 43 GLY HA3 H 43 3.808 3.980 -0.172 2
1 409 . 1 1 A 43 43 GLY CA C 43 45.278 46.148 -0.871 2
1 410 . 1 1 A 43 43 GLY N N 43 109.409 109.039 0.370 2
1 411 . 1 1 A 44 44 VAL H H 44 7.913 8.131 -0.218 2
1 412 . 1 1 A 44 44 VAL HA H 44 4.107 4.357 -0.250 2
1 420 . 1 1 A 44 44 VAL CA C 44 62.352 61.811 0.541 2
1 421 . 1 1 A 44 44 VAL CB C 44 32.777 33.246 -0.469 2
1 424 . 1 1 A 44 44 VAL N N 44 117.689 120.916 -3.227 2
1 425 . 1 1 A 45 45 ASN HA H 45 4.713 4.845 -0.132 2
1 430 . 1 1 A 45 45 ASN CA C 45 53.201 53.741 -0.540 2
1 431 . 1 1 A 45 45 ASN CB C 45 38.671 38.695 -0.024 2
1 433 . 1 1 A 46 46 VAL H H 46 7.994 8.148 -0.154 2
1 434 . 1 1 A 46 46 VAL HA H 46 4.148 4.231 -0.083 2
1 439 . 1 1 A 46 46 VAL C C 46 177.834 176.354 1.480 2
1 440 . 1 1 A 46 46 VAL CA C 46 62.726 62.667 0.059 2
1 441 . 1 1 A 46 46 VAL CB C 46 32.476 32.701 -0.225 2
1 443 . 1 1 A 46 46 VAL N N 46 118.432 119.685 -1.253 2
1 444 . 1 1 A 47 47 GLY HA2 H 47 3.702 3.993 -0.291 2
1 445 . 1 1 A 47 47 GLY HA3 H 47 4.104 4.007 0.097 2
1 446 . 1 1 A 47 47 GLY C C 47 173.950 173.975 -0.025 2
1 447 . 1 1 A 47 47 GLY CA C 47 45.202 45.984 -0.782 2
1 448 . 1 1 A 48 48 THR H H 48 8.238 8.085 0.153 2
1 449 . 1 1 A 48 48 THR HA H 48 4.066 4.267 -0.201 2
1 454 . 1 1 A 48 48 THR C C 48 175.919 174.059 1.860 2
1 455 . 1 1 A 48 48 THR CA C 48 67.178 61.987 5.191 2
1 456 . 1 1 A 48 48 THR CB C 48 68.681 67.954 0.727 2
1 458 . 1 1 A 48 48 THR N N 48 118.267 115.485 2.782 2
1 459 . 1 1 A 49 49 THR HA H 49 3.981 4.153 -0.172 2
1 464 . 1 1 A 49 49 THR CA C 49 62.689 64.311 -1.622 2
1 465 . 1 1 A 49 49 THR CB C 49 69.410 69.352 0.058 2
1 467 . 1 1 A 50 50 ALA HA H 50 4.091 3.920 0.171 2
1 471 . 1 1 A 50 50 ALA C C 50 180.456 179.535 0.921 2
1 472 . 1 1 A 50 50 ALA CA C 50 55.053 55.402 -0.349 2
1 473 . 1 1 A 50 50 ALA CB C 50 18.859 18.306 0.553 2
1 474 . 1 1 A 51 51 LEU H H 51 7.042 7.644 -0.602 2
1 475 . 1 1 A 51 51 LEU HA H 51 3.446 3.316 0.130 2
1 485 . 1 1 A 51 51 LEU C C 51 179.170 179.078 0.092 2
1 486 . 1 1 A 51 51 LEU CA C 51 57.395 57.438 -0.043 2
1 487 . 1 1 A 51 51 LEU CB C 51 39.050 41.217 -2.167 2
1 491 . 1 1 A 51 51 LEU N N 51 117.051 118.035 -0.984 2
1 492 . 1 1 A 52 52 TRP H H 52 7.992 8.284 -0.292 2
1 493 . 1 1 A 52 52 TRP HA H 52 4.412 4.309 0.103 2
1 502 . 1 1 A 52 52 TRP C C 52 178.636 178.966 -0.330 2
1 503 . 1 1 A 52 52 TRP CA C 52 60.762 60.196 0.566 2
1 504 . 1 1 A 52 52 TRP CB C 52 29.830 29.343 0.487 2
1 510 . 1 1 A 52 52 TRP N N 52 118.438 118.757 -0.319 2
1 512 . 1 1 A 53 53 LYS H H 53 8.239 7.944 0.296 2
1 513 . 1 1 A 53 53 LYS HA H 53 4.077 4.023 0.054 2
1 522 . 1 1 A 53 53 LYS C C 53 179.777 178.912 0.865 2
1 523 . 1 1 A 53 53 LYS CA C 53 59.864 59.359 0.505 2
1 524 . 1 1 A 53 53 LYS CB C 53 32.077 32.390 -0.313 2
1 528 . 1 1 A 53 53 LYS N N 53 118.342 118.954 -0.612 2
1 529 . 1 1 A 54 54 HIS H H 54 7.592 7.953 -0.361 2
1 530 . 1 1 A 54 54 HIS HA H 54 4.351 4.353 -0.002 2
1 535 . 1 1 A 54 54 HIS C C 54 176.499 177.349 -0.850 2
1 536 . 1 1 A 54 54 HIS CA C 54 60.409 59.335 1.074 2
1 537 . 1 1 A 54 54 HIS CB C 54 28.701 30.300 -1.599 2
1 540 . 1 1 A 54 54 HIS N N 54 117.948 120.369 -2.421 2
1 541 . 1 1 A 55 55 LEU H H 55 8.223 8.591 -0.367 2
1 542 . 1 1 A 55 55 LEU HA H 55 3.829 3.941 -0.112 2
1 552 . 1 1 A 55 55 LEU C C 55 178.587 179.215 -0.628 2
1 553 . 1 1 A 55 55 LEU CA C 55 58.492 58.109 0.383 2
1 554 . 1 1 A 55 55 LEU CB C 55 42.293 41.473 0.820 2
1 558 . 1 1 A 55 55 LEU N N 55 118.224 119.689 -1.465 2
1 559 . 1 1 A 56 56 LYS H H 56 8.795 8.478 0.317 2
1 560 . 1 1 A 56 56 LYS HA H 56 3.823 4.260 -0.437 2
1 569 . 1 1 A 56 56 LYS C C 56 177.664 178.391 -0.727 2
1 570 . 1 1 A 56 56 LYS CA C 56 58.999 58.264 0.735 2
1 571 . 1 1 A 56 56 LYS CB C 56 32.395 32.213 0.182 2
1 575 . 1 1 A 56 56 LYS N N 56 115.460 117.789 -2.329 2
1 576 . 1 1 A 57 57 SER H H 57 7.600 7.815 -0.215 2
1 577 . 1 1 A 57 57 SER HA H 57 4.353 4.304 0.049 2
1 580 . 1 1 A 57 57 SER C C 57 176.451 175.626 0.825 2
1 581 . 1 1 A 57 57 SER CA C 57 60.480 61.161 -0.681 2
1 582 . 1 1 A 57 57 SER CB C 57 63.879 63.303 0.575 2
1 583 . 1 1 A 57 57 SER N N 57 110.773 115.003 -4.230 2
1 584 . 1 1 A 58 58 MET H H 58 7.685 7.646 0.038 2
1 585 . 1 1 A 58 58 MET HA H 58 4.555 4.532 0.023 2
1 593 . 1 1 A 58 58 MET C C 58 176.645 177.205 -0.560 2
1 594 . 1 1 A 58 58 MET CA C 58 55.158 55.426 -0.268 2
1 595 . 1 1 A 58 58 MET CB C 58 32.427 33.986 -1.558 2
1 598 . 1 1 A 58 58 MET N N 58 115.874 116.260 -0.386 2
1 599 . 1 1 A 59 59 HIS H H 59 7.685 7.858 -0.173 2
1 600 . 1 1 A 59 59 HIS HA H 59 5.357 4.678 0.679 2
1 605 . 1 1 A 59 59 HIS C C 59 175.140 175.597 -0.457 2
1 606 . 1 1 A 59 59 HIS CA C 59 53.114 55.703 -2.589 2
1 607 . 1 1 A 59 59 HIS CB C 59 29.080 29.230 -0.150 2
1 610 . 1 1 A 59 59 HIS N N 59 117.346 116.726 0.620 2
1 611 . 1 1 A 60 60 ARG H H 60 7.995 7.982 0.013 2
1 612 . 1 1 A 60 60 ARG HA H 60 3.771 3.832 -0.061 2
1 619 . 1 1 A 60 60 ARG C C 60 178.684 178.561 0.123 2
1 620 . 1 1 A 60 60 ARG CA C 60 60.646 59.535 1.111 2
1 621 . 1 1 A 60 60 ARG CB C 60 29.959 29.958 0.001 2
1 624 . 1 1 A 60 60 ARG N N 60 120.640 122.006 -1.366 2
1 625 . 1 1 A 61 61 GLU H H 61 8.929 8.072 0.857 2
1 626 . 1 1 A 61 61 GLU HA H 61 4.046 4.155 -0.109 2
1 631 . 1 1 A 61 61 GLU C C 61 179.024 179.380 -0.356 2
1 632 . 1 1 A 61 61 GLU CA C 61 59.775 58.931 0.844 2
1 633 . 1 1 A 61 61 GLU CB C 61 28.926 29.444 -0.518 2
1 635 . 1 1 A 61 61 GLU N N 61 117.239 119.076 -1.837 2
1 636 . 1 1 A 62 62 GLU H H 62 8.182 8.050 0.132 2
1 637 . 1 1 A 62 62 GLU HA H 62 4.078 4.049 0.029 2
1 642 . 1 1 A 62 62 GLU C C 62 179.242 179.190 0.052 2
1 643 . 1 1 A 62 62 GLU CA C 62 59.317 59.168 0.149 2
1 644 . 1 1 A 62 62 GLU CB C 62 28.864 29.452 -0.588 2
1 646 . 1 1 A 62 62 GLU N N 62 120.004 120.303 -0.299 2
1 647 . 1 1 A 63 63 LEU H H 63 7.849 8.267 -0.418 2
1 648 . 1 1 A 63 63 LEU HA H 63 4.158 3.962 0.196 2
1 658 . 1 1 A 63 63 LEU C C 63 179.679 178.855 0.824 2
1 659 . 1 1 A 63 63 LEU CA C 63 57.449 57.910 -0.461 2
1 660 . 1 1 A 63 63 LEU CB C 63 41.552 41.758 -0.206 2
1 664 . 1 1 A 63 63 LEU N N 63 119.191 120.430 -1.239 2
1 665 . 1 1 A 64 64 GLU H H 64 8.097 8.071 0.026 2
1 666 . 1 1 A 64 64 GLU HA H 64 4.113 3.982 0.131 2
1 671 . 1 1 A 64 64 GLU C C 64 178.951 179.220 -0.269 2
1 672 . 1 1 A 64 64 GLU CA C 64 58.480 59.815 -1.335 2
1 673 . 1 1 A 64 64 GLU CB C 64 29.548 29.291 0.257 2
1 675 . 1 1 A 64 64 GLU N N 64 118.834 117.378 1.456 2
1 676 . 1 1 A 65 65 LYS H H 65 7.854 8.035 -0.181 2
1 677 . 1 1 A 65 65 LYS HA H 65 4.197 4.081 0.116 2
1 685 . 1 1 A 65 65 LYS C C 65 177.713 177.928 -0.215 2
1 686 . 1 1 A 65 65 LYS CA C 65 58.154 59.255 -1.101 2
1 687 . 1 1 A 65 65 LYS CB C 65 32.614 32.218 0.396 2
1 691 . 1 1 A 65 65 LYS N N 65 119.350 120.793 -1.443 2
1 692 . 1 1 A 66 66 SER H H 66 7.816 7.733 0.083 2
1 693 . 1 1 A 66 66 SER HA H 66 4.457 4.507 -0.050 2
1 696 . 1 1 A 66 66 SER C C 66 174.751 174.748 0.003 2
1 697 . 1 1 A 66 66 SER CA C 66 58.864 58.869 -0.005 2
1 698 . 1 1 A 66 66 SER CB C 66 64.180 64.112 0.068 2
1 699 . 1 1 A 66 66 SER N N 66 113.693 113.704 -0.011 2
1 700 . 1 1 A 67 67 GLY H H 67 7.959 8.258 -0.299 2
1 701 . 1 1 A 67 67 GLY HA2 H 67 4.036 3.865 0.171 2
1 702 . 1 1 A 67 67 GLY HA3 H 67 3.924 3.916 0.008 2
1 703 . 1 1 A 67 67 GLY C C 67 174.775 174.614 0.161 2
1 704 . 1 1 A 67 67 GLY CA C 67 45.678 46.490 -0.812 2
1 705 . 1 1 A 67 67 GLY N N 67 108.980 110.230 -1.250 2
1 706 . 1 1 A 68 68 HIS H H 68 8.148 7.952 0.196 2
1 707 . 1 1 A 68 68 HIS HA H 68 4.861 4.807 0.054 2
1 712 . 1 1 A 68 68 HIS C C 68 176.159 175.594 0.565 2
1 713 . 1 1 A 68 68 HIS CA C 68 56.004 55.532 0.472 2
1 714 . 1 1 A 68 68 HIS CB C 68 31.585 30.002 1.583 2
1 717 . 1 1 A 68 68 HIS N N 68 119.127 118.390 0.737 2
1 718 . 1 1 A 69 69 GLY H H 69 8.610 8.502 0.108 2
1 719 . 1 1 A 69 69 GLY HA2 H 69 3.903 3.855 0.048 2
1 720 . 1 1 A 69 69 GLY HA3 H 69 3.903 3.871 0.032 2
1 721 . 1 1 A 69 69 GLY C C 69 174.290 174.758 -0.468 2
1 722 . 1 1 A 69 69 GLY CA C 69 45.890 46.355 -0.465 2
1 723 . 1 1 A 69 69 GLY N N 69 109.663 109.539 0.124 2
1 724 . 1 1 A 70 70 GLN H H 70 8.325 8.224 0.101 2
1 725 . 1 1 A 70 70 GLN HA H 70 4.396 4.309 0.087 2
1 732 . 1 1 A 70 70 GLN C C 70 176.208 175.516 0.692 2
1 733 . 1 1 A 70 70 GLN CA C 70 55.616 55.816 -0.200 2
1 734 . 1 1 A 70 70 GLN CB C 70 29.441 28.233 1.208 2
1 736 . 1 1 A 70 70 GLN N N 70 119.031 120.027 -0.996 2
1 738 . 1 1 A 71 71 SER HA H 71 4.466 4.336 0.130 2
1 741 . 1 1 A 71 71 SER C C 71 174.096 174.310 -0.214 2
1 742 . 1 1 A 71 71 SER CA C 71 58.506 58.741 -0.235 2
1 743 . 1 1 A 71 71 SER CB C 71 64.126 62.892 1.234 2
1 744 . 1 1 A 72 72 GLY H H 72 8.136 7.903 0.233 2
1 745 . 1 1 A 72 72 GLY HA2 H 72 3.776 3.948 -0.172 2
1 746 . 1 1 A 72 72 GLY HA3 H 72 3.703 3.984 -0.281 2
1 747 . 1 1 A 72 72 GLY C C 72 171.644 173.187 -1.543 2
1 748 . 1 1 A 72 72 GLY CA C 72 44.304 45.398 -1.094 2
1 749 . 1 1 A 72 72 GLY N N 72 110.082 110.024 0.058 2
1 750 . 1 1 A 73 73 PRO HA H 73 4.408 4.516 -0.108 2
1 757 . 1 1 A 73 73 PRO C C 73 175.067 176.438 -1.371 2
1 758 . 1 1 A 73 73 PRO CA C 73 63.151 63.442 -0.291 2
1 759 . 1 1 A 73 73 PRO CB C 73 32.225 31.950 0.275 2
1 763 . 1 1 A 74 74 SER CA C 74 58.647 58.343 0.304 2
stop_
save_