data_7113_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 7113
_Entry.PDB_ID 2KDG
_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 25
_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 4 . 1 1 1 A 2 2 ALA HA H -3 4.167 4.403 -0.236 1
1 8 . 1 1 1 A 2 2 ALA C C -3 177.254 177.066 0.188 1
1 9 . 1 1 1 A 2 2 ALA CA C -3 52.427 52.182 0.245 1
1 10 . 1 1 1 A 2 2 ALA CB C -3 19.740 20.099 -0.359 1
1 11 . 1 1 1 A 3 3 MET H H -2 8.135 8.670 -0.535 1
1 12 . 1 1 1 A 3 3 MET HA H -2 4.351 4.976 -0.625 1
1 20 . 1 1 1 A 3 3 MET C C -2 176.007 174.705 1.302 1
1 21 . 1 1 1 A 3 3 MET CA C -2 55.444 53.588 1.856 1
1 22 . 1 1 1 A 3 3 MET CB C -2 34.277 36.060 -1.783 1
1 25 . 1 1 1 A 3 3 MET N N -2 125.628 115.164 10.464 1
1 43 . 1 1 1 A 6 6 PRO HA H 250 4.591 4.709 -0.118 1
1 50 . 1 1 1 A 6 6 PRO C C 250 175.444 175.419 0.025 1
1 51 . 1 1 1 A 6 6 PRO CA C 250 61.829 62.798 -0.969 1
1 52 . 1 1 1 A 6 6 PRO CB C 250 32.464 32.721 -0.257 1
1 55 . 1 1 1 A 7 7 ARG H H 251 7.588 8.547 -0.959 1
1 56 . 1 1 1 A 7 7 ARG HA H 251 4.078 4.812 -0.734 1
1 64 . 1 1 1 A 7 7 ARG C C 251 175.065 174.818 0.247 1
1 65 . 1 1 1 A 7 7 ARG CA C 251 54.552 54.939 -0.387 1
1 66 . 1 1 1 A 7 7 ARG CB C 251 33.587 34.285 -0.698 1
1 69 . 1 1 1 A 7 7 ARG N N 251 124.900 122.217 2.683 1
1 71 . 1 1 1 A 8 8 PHE H H 252 8.893 9.015 -0.122 1
1 72 . 1 1 1 A 8 8 PHE HA H 252 4.708 4.854 -0.146 1
1 80 . 1 1 1 A 8 8 PHE CA C 252 59.744 59.768 -0.024 1
1 81 . 1 1 1 A 8 8 PHE CB C 252 39.263 39.830 -0.567 1
1 85 . 1 1 1 A 8 8 PHE N N 252 128.828 121.273 7.555 1
1 86 . 1 1 1 A 9 9 ILE H H 253 8.223 9.138 -0.915 1
1 87 . 1 1 1 A 9 9 ILE HA H 253 4.090 4.448 -0.358 1
1 97 . 1 1 1 A 9 9 ILE C C 253 175.698 176.017 -0.319 1
1 98 . 1 1 1 A 9 9 ILE CA C 253 61.230 62.266 -1.036 1
1 99 . 1 1 1 A 9 9 ILE CB C 253 39.165 39.669 -0.504 1
1 103 . 1 1 1 A 9 9 ILE N N 253 128.239 123.588 4.651 1
1 104 . 1 1 1 A 10 10 GLN H H 254 7.437 7.797 -0.360 1
1 105 . 1 1 1 A 10 10 GLN HA H 254 4.450 4.792 -0.342 1
1 112 . 1 1 1 A 10 10 GLN C C 254 174.149 174.074 0.075 1
1 113 . 1 1 1 A 10 10 GLN CA C 254 56.197 55.391 0.806 1
1 114 . 1 1 1 A 10 10 GLN CB C 254 32.367 32.197 0.170 1
1 116 . 1 1 1 A 10 10 GLN N N 254 127.323 116.716 10.607 1
1 118 . 1 1 1 A 11 11 VAL H H 255 8.283 8.707 -0.424 1
1 119 . 1 1 1 A 11 11 VAL HA H 255 4.185 4.506 -0.321 1
1 127 . 1 1 1 A 11 11 VAL CA C 255 57.931 57.667 0.264 1
1 128 . 1 1 1 A 11 11 VAL CB C 255 33.230 34.021 -0.791 1
1 131 . 1 1 1 A 11 11 VAL N N 255 126.734 119.267 7.467 1
1 132 . 1 1 1 A 12 12 PRO HA H 256 4.538 4.394 0.144 1
1 139 . 1 1 1 A 12 12 PRO CA C 256 62.209 62.292 -0.083 1
1 140 . 1 1 1 A 12 12 PRO CB C 256 31.724 31.949 -0.225 1
1 143 . 1 1 1 A 13 13 GLU H H 257 7.870 8.329 -0.459 1
1 144 . 1 1 1 A 13 13 GLU HA H 257 4.257 4.317 -0.060 1
1 149 . 1 1 1 A 13 13 GLU CA C 257 54.764 55.696 -0.932 1
1 150 . 1 1 1 A 13 13 GLU CB C 257 31.690 30.433 1.257 1
1 152 . 1 1 1 A 13 13 GLU N N 257 124.369 118.910 5.459 1
1 153 . 1 1 1 A 14 14 ASN H H 258 8.133 8.591 -0.458 1
1 154 . 1 1 1 A 14 14 ASN HA H 258 4.639 4.863 -0.224 1
1 159 . 1 1 1 A 14 14 ASN CA C 258 54.285 53.610 0.675 1
1 160 . 1 1 1 A 14 14 ASN CB C 258 38.023 38.252 -0.229 1
1 161 . 1 1 1 A 14 14 ASN N N 258 123.151 118.070 5.081 1
1 163 . 1 1 1 A 15 15 MET H H 259 8.295 8.517 -0.222 1
1 164 . 1 1 1 A 15 15 MET HA H 259 4.695 4.651 0.044 1
1 172 . 1 1 1 A 15 15 MET C C 259 174.675 175.337 -0.662 1
1 173 . 1 1 1 A 15 15 MET CA C 259 55.153 54.810 0.343 1
1 174 . 1 1 1 A 15 15 MET CB C 259 38.064 33.272 4.792 1
1 177 . 1 1 1 A 15 15 MET N N 259 125.442 124.822 0.620 1
1 178 . 1 1 1 A 16 16 SER H H 260 8.332 8.768 -0.436 1
1 179 . 1 1 1 A 16 16 SER HA H 260 5.261 5.479 -0.218 1
1 182 . 1 1 1 A 16 16 SER C C 260 172.889 173.155 -0.266 1
1 183 . 1 1 1 A 16 16 SER CA C 260 56.748 56.998 -0.250 1
1 184 . 1 1 1 A 16 16 SER CB C 260 64.170 65.190 -1.020 1
1 185 . 1 1 1 A 16 16 SER N N 260 125.417 113.465 11.952 1
1 186 . 1 1 1 A 17 17 ILE H H 261 8.394 8.694 -0.300 1
1 187 . 1 1 1 A 17 17 ILE HA H 261 4.366 4.647 -0.281 1
1 197 . 1 1 1 A 17 17 ILE C C 261 173.465 175.140 -1.675 1
1 198 . 1 1 1 A 17 17 ILE CA C 261 57.461 60.140 -2.679 1
1 199 . 1 1 1 A 17 17 ILE CB C 261 41.882 41.471 0.411 1
1 203 . 1 1 1 A 17 17 ILE N N 261 131.680 125.964 5.716 1
1 204 . 1 1 1 A 18 18 ASP H H 262 8.043 8.752 -0.709 1
1 205 . 1 1 1 A 18 18 ASP HA H 262 4.498 4.566 -0.068 1
1 208 . 1 1 1 A 18 18 ASP C C 262 174.970 175.964 -0.994 1
1 209 . 1 1 1 A 18 18 ASP CA C 262 54.962 54.748 0.214 1
1 210 . 1 1 1 A 18 18 ASP CB C 262 41.518 41.265 0.253 1
1 211 . 1 1 1 A 18 18 ASP N N 262 132.455 127.814 4.641 1
1 212 . 1 1 1 A 19 19 GLU H H 263 8.058 8.710 -0.652 1
1 213 . 1 1 1 A 19 19 GLU HA H 263 3.322 3.922 -0.600 1
1 218 . 1 1 1 A 19 19 GLU C C 263 176.656 177.355 -0.699 1
1 219 . 1 1 1 A 19 19 GLU CA C 263 58.351 58.255 0.096 1
1 220 . 1 1 1 A 19 19 GLU CB C 263 29.716 29.329 0.387 1
1 222 . 1 1 1 A 19 19 GLU N N 263 126.424 124.716 1.708 1
1 223 . 1 1 1 A 20 20 GLY H H 264 9.131 9.104 0.027 1
1 224 . 1 1 1 A 20 20 GLY HA2 H 264 3.366 3.981 -0.615 1
1 225 . 1 1 1 A 20 20 GLY HA3 H 264 4.196 3.982 0.214 1
1 226 . 1 1 1 A 20 20 GLY C C 264 174.582 174.497 0.085 1
1 227 . 1 1 1 A 20 20 GLY CA C 264 44.837 44.953 -0.116 1
1 228 . 1 1 1 A 20 20 GLY N N 264 119.124 115.045 4.079 1
1 229 . 1 1 1 A 21 21 ARG H H 265 7.192 7.388 -0.196 1
1 230 . 1 1 1 A 21 21 ARG HA H 265 4.377 4.403 -0.026 1
1 238 . 1 1 1 A 21 21 ARG C C 265 174.091 175.807 -1.716 1
1 239 . 1 1 1 A 21 21 ARG CA C 265 55.263 55.935 -0.672 1
1 240 . 1 1 1 A 21 21 ARG CB C 265 31.467 31.732 -0.265 1
1 243 . 1 1 1 A 21 21 ARG N N 265 126.182 120.386 5.796 1
1 245 . 1 1 1 A 22 22 PHE H H 266 7.699 8.835 -1.136 1
1 246 . 1 1 1 A 22 22 PHE HA H 266 4.688 4.939 -0.251 1
1 254 . 1 1 1 A 22 22 PHE C C 266 175.911 174.782 1.129 1
1 255 . 1 1 1 A 22 22 PHE CA C 266 57.132 59.222 -2.090 1
1 256 . 1 1 1 A 22 22 PHE CB C 266 41.270 39.998 1.272 1
1 260 . 1 1 1 A 22 22 PHE N N 266 127.111 122.648 4.463 1
1 261 . 1 1 1 A 23 23 CYS H H 267 8.140 8.290 -0.150 1
1 262 . 1 1 1 A 23 23 CYS HA H 267 4.282 5.074 -0.792 1
1 265 . 1 1 1 A 23 23 CYS C C 267 170.233 172.589 -2.356 1
1 266 . 1 1 1 A 23 23 CYS CA C 267 57.626 56.279 1.347 1
1 267 . 1 1 1 A 23 23 CYS CB C 267 30.411 31.988 -1.577 1
1 268 . 1 1 1 A 23 23 CYS N N 267 130.194 124.553 5.641 1
1 269 . 1 1 1 A 24 24 ARG H H 268 8.160 8.934 -0.774 1
1 270 . 1 1 1 A 24 24 ARG HA H 268 5.167 5.261 -0.094 1
1 278 . 1 1 1 A 24 24 ARG CA C 268 53.910 54.307 -0.397 1
1 279 . 1 1 1 A 24 24 ARG CB C 268 35.114 33.909 1.205 1
1 283 . 1 1 1 A 25 25 MET H H 269 8.839 9.091 -0.252 1
1 284 . 1 1 1 A 25 25 MET HA H 269 4.518 5.385 -0.867 1
1 292 . 1 1 1 A 25 25 MET C C 269 174.090 174.580 -0.490 1
1 293 . 1 1 1 A 25 25 MET CA C 269 54.960 54.117 0.843 1
1 294 . 1 1 1 A 25 25 MET CB C 269 35.645 36.702 -1.057 1
1 297 . 1 1 1 A 25 25 MET N N 269 127.757 119.959 7.798 1
1 298 . 1 1 1 A 26 26 ASP H H 270 8.473 8.845 -0.372 1
1 299 . 1 1 1 A 26 26 ASP HA H 270 5.772 5.693 0.079 1
1 302 . 1 1 1 A 26 26 ASP CA C 270 53.157 53.123 0.034 1
1 303 . 1 1 1 A 26 26 ASP CB C 270 43.595 44.133 -0.538 1
1 304 . 1 1 1 A 26 26 ASP N N 270 129.880 121.969 7.911 1
1 305 . 1 1 1 A 27 27 PHE H H 271 9.180 9.633 -0.453 1
1 306 . 1 1 1 A 27 27 PHE HA H 271 5.014 5.079 -0.065 1
1 314 . 1 1 1 A 27 27 PHE CA C 271 55.904 56.175 -0.271 1
1 317 . 1 1 1 A 27 27 PHE N N 271 123.116 122.397 0.719 1
1 318 . 1 1 1 A 28 28 LYS H H 272 9.221 8.503 0.718 1
1 327 . 1 1 1 A 28 28 LYS CA C 272 59.294 56.645 2.649 1
1 328 . 1 1 1 A 28 28 LYS CB C 272 38.090 32.782 5.308 1
1 332 . 1 1 1 A 28 28 LYS N N 272 131.321 125.535 5.786 1
1 333 . 1 1 1 A 29 29 VAL H H 273 8.304 8.679 -0.375 1
1 334 . 1 1 1 A 29 29 VAL HA H 273 4.331 4.825 -0.494 1
1 342 . 1 1 1 A 29 29 VAL C C 273 175.240 173.624 1.616 1
1 343 . 1 1 1 A 29 29 VAL CA C 273 61.020 60.023 0.997 1
1 344 . 1 1 1 A 29 29 VAL CB C 273 33.889 35.013 -1.124 1
1 347 . 1 1 1 A 30 30 SER H H 274 8.545 8.763 -0.218 1
1 348 . 1 1 1 A 30 30 SER HA H 274 4.647 5.362 -0.715 1
1 351 . 1 1 1 A 30 30 SER C C 274 172.993 173.525 -0.532 1
1 352 . 1 1 1 A 30 30 SER CA C 274 56.505 57.497 -0.992 1
1 353 . 1 1 1 A 30 30 SER CB C 274 65.805 65.352 0.453 1
1 354 . 1 1 1 A 30 30 SER N N 274 129.796 125.419 4.377 1
1 355 . 1 1 1 A 31 31 GLY H H 275 7.712 8.581 -0.869 1
1 356 . 1 1 1 A 31 31 GLY HA2 H 275 3.220 4.391 -1.171 1
1 357 . 1 1 1 A 31 31 GLY HA3 H 275 3.649 4.395 -0.746 1
1 358 . 1 1 1 A 31 31 GLY C C 275 170.984 172.130 -1.146 1
1 359 . 1 1 1 A 31 31 GLY CA C 275 45.099 45.319 -0.220 1
1 360 . 1 1 1 A 31 31 GLY N N 275 115.009 112.282 2.727 1
1 361 . 1 1 1 A 32 32 LEU H H 276 7.668 8.745 -1.077 1
1 362 . 1 1 1 A 32 32 LEU HA H 276 4.301 4.885 -0.584 1
1 372 . 1 1 1 A 32 32 LEU C C 276 173.812 174.743 -0.931 1
1 373 . 1 1 1 A 32 32 LEU CA C 276 52.370 51.374 0.996 1
1 374 . 1 1 1 A 32 32 LEU CB C 276 45.554 45.581 -0.027 1
1 378 . 1 1 1 A 32 32 LEU N N 276 129.727 121.869 7.858 1
1 379 . 1 1 1 A 33 33 PRO HA H 277 4.416 4.588 -0.172 1
1 386 . 1 1 1 A 33 33 PRO CA C 277 62.576 62.420 0.156 1
1 387 . 1 1 1 A 33 33 PRO CB C 277 35.012 32.528 2.484 1
1 390 . 1 1 1 A 34 34 ALA H H 278 8.598 8.332 0.266 1
1 391 . 1 1 1 A 34 34 ALA HA H 278 4.153 4.295 -0.142 1
1 395 . 1 1 1 A 34 34 ALA CA C 278 50.822 50.713 0.109 1
1 396 . 1 1 1 A 34 34 ALA CB C 278 17.462 19.088 -1.626 1
1 397 . 1 1 1 A 34 34 ALA N N 278 131.518 124.688 6.830 1
1 398 . 1 1 1 A 35 35 PRO HA H 279 4.206 4.488 -0.282 1
1 405 . 1 1 1 A 35 35 PRO C C 279 175.701 175.944 -0.243 1
1 406 . 1 1 1 A 35 35 PRO CA C 279 62.628 62.475 0.153 1
1 407 . 1 1 1 A 35 35 PRO CB C 279 33.069 31.927 1.142 1
1 410 . 1 1 1 A 36 36 ASP H H 280 8.621 8.408 0.213 1
1 411 . 1 1 1 A 36 36 ASP HA H 280 4.659 4.753 -0.094 1
1 414 . 1 1 1 A 36 36 ASP C C 280 176.057 175.198 0.859 1
1 415 . 1 1 1 A 36 36 ASP CA C 280 54.307 53.926 0.381 1
1 416 . 1 1 1 A 36 36 ASP CB C 280 42.741 41.785 0.956 1
1 417 . 1 1 1 A 36 36 ASP N N 280 127.555 122.036 5.519 1
1 418 . 1 1 1 A 37 37 VAL H H 281 8.635 8.578 0.057 1
1 419 . 1 1 1 A 37 37 VAL HA H 281 4.938 5.108 -0.170 1
1 427 . 1 1 1 A 37 37 VAL CA C 281 61.135 60.319 0.816 1
1 428 . 1 1 1 A 37 37 VAL CB C 281 34.579 35.200 -0.621 1
1 431 . 1 1 1 A 38 38 SER H H 282 8.591 8.431 0.160 1
1 432 . 1 1 1 A 38 38 SER HA H 282 4.518 5.442 -0.924 1
1 435 . 1 1 1 A 38 38 SER CA C 282 57.540 56.708 0.832 1
1 436 . 1 1 1 A 38 38 SER CB C 282 66.530 66.319 0.211 1
1 437 . 1 1 1 A 38 38 SER N N 282 128.264 122.378 5.886 1
1 438 . 1 1 1 A 39 39 TRP H H 283 8.426 8.490 -0.064 1
1 439 . 1 1 1 A 39 39 TRP HA H 283 5.297 5.570 -0.273 1
1 448 . 1 1 1 A 39 39 TRP CA C 283 56.298 55.951 0.347 1
1 449 . 1 1 1 A 39 39 TRP CB C 283 33.153 33.437 -0.284 1
1 455 . 1 1 1 A 39 39 TRP N N 283 127.698 121.932 5.766 1
1 456 . 1 1 1 A 40 40 TYR H H 284 9.373 9.304 0.069 1
1 457 . 1 1 1 A 40 40 TYR HA H 284 4.903 5.390 -0.487 1
1 464 . 1 1 1 A 40 40 TYR C C 284 174.148 174.732 -0.584 1
1 465 . 1 1 1 A 40 40 TYR CA C 284 56.849 56.277 0.572 1
1 466 . 1 1 1 A 40 40 TYR CB C 284 42.754 43.310 -0.556 1
1 469 . 1 1 1 A 40 40 TYR N N 284 125.437 119.542 5.895 1
1 470 . 1 1 1 A 41 41 LEU H H 285 8.898 9.211 -0.313 1
1 471 . 1 1 1 A 41 41 LEU HA H 285 4.255 4.595 -0.340 1
1 481 . 1 1 1 A 41 41 LEU C C 285 176.606 175.460 1.146 1
1 482 . 1 1 1 A 41 41 LEU CA C 285 53.659 54.078 -0.419 1
1 483 . 1 1 1 A 41 41 LEU CB C 285 43.740 44.767 -1.027 1
1 487 . 1 1 1 A 41 41 LEU N N 285 129.512 122.568 6.944 1
1 488 . 1 1 1 A 42 42 ASN H H 286 9.454 9.398 0.056 1
1 489 . 1 1 1 A 42 42 ASN HA H 286 4.221 4.415 -0.194 1
1 494 . 1 1 1 A 42 42 ASN C C 286 175.692 175.273 0.419 1
1 495 . 1 1 1 A 42 42 ASN CA C 286 54.239 54.401 -0.162 1
1 496 . 1 1 1 A 42 42 ASN CB C 286 37.331 37.011 0.320 1
1 497 . 1 1 1 A 42 42 ASN N N 286 134.097 126.002 8.095 1
1 499 . 1 1 1 A 43 43 GLY H H 287 8.709 8.384 0.325 1
1 500 . 1 1 1 A 43 43 GLY HA2 H 287 3.356 3.988 -0.632 1
1 501 . 1 1 1 A 43 43 GLY HA3 H 287 3.995 4.002 -0.007 1
1 502 . 1 1 1 A 43 43 GLY C C 287 173.786 173.625 0.161 1
1 503 . 1 1 1 A 43 43 GLY CA C 287 45.450 45.088 0.362 1
1 504 . 1 1 1 A 43 43 GLY N N 287 108.807 104.907 3.900 1
1 505 . 1 1 1 A 44 44 ARG H H 288 7.902 7.665 0.237 1
1 506 . 1 1 1 A 44 44 ARG HA H 288 4.697 5.045 -0.348 1
1 514 . 1 1 1 A 44 44 ARG C C 288 175.799 175.330 0.469 1
1 515 . 1 1 1 A 44 44 ARG CA C 288 54.658 54.028 0.630 1
1 516 . 1 1 1 A 44 44 ARG CB C 288 32.436 33.770 -1.334 1
1 519 . 1 1 1 A 44 44 ARG N N 288 127.837 116.376 11.461 1
1 521 . 1 1 1 A 45 45 THR H H 289 8.539 8.648 -0.109 1
1 522 . 1 1 1 A 45 45 THR HA H 289 3.763 4.272 -0.509 1
1 527 . 1 1 1 A 45 45 THR C C 289 174.692 174.370 0.322 1
1 528 . 1 1 1 A 45 45 THR CA C 289 63.977 61.838 2.139 1
1 529 . 1 1 1 A 45 45 THR CB C 289 69.706 69.847 -0.141 1
1 531 . 1 1 1 A 45 45 THR N N 289 126.100 113.343 12.757 1
1 532 . 1 1 1 A 46 46 VAL H H 290 8.033 8.305 -0.272 1
1 533 . 1 1 1 A 46 46 VAL HA H 290 3.647 4.529 -0.882 1
1 541 . 1 1 1 A 46 46 VAL C C 290 174.672 175.368 -0.696 1
1 542 . 1 1 1 A 46 46 VAL CA C 290 62.458 61.485 0.973 1
1 543 . 1 1 1 A 46 46 VAL CB C 290 32.500 34.566 -2.066 1
1 546 . 1 1 1 A 46 46 VAL N N 290 134.795 121.324 13.471 1
1 547 . 1 1 1 A 47 47 GLN H H 291 8.124 8.682 -0.558 1
1 548 . 1 1 1 A 47 47 GLN HA H 291 4.281 4.376 -0.095 1
1 555 . 1 1 1 A 47 47 GLN C C 291 175.398 175.685 -0.287 1
1 556 . 1 1 1 A 47 47 GLN CA C 291 54.235 55.788 -1.553 1
1 557 . 1 1 1 A 47 47 GLN CB C 291 30.283 29.710 0.573 1
1 559 . 1 1 1 A 47 47 GLN N N 291 132.792 127.222 5.570 1
1 561 . 1 1 1 A 48 48 SER H H 292 8.280 8.471 -0.191 1
1 562 . 1 1 1 A 48 48 SER HA H 292 4.308 4.758 -0.450 1
1 565 . 1 1 1 A 48 48 SER C C 292 174.304 173.716 0.588 1
1 566 . 1 1 1 A 48 48 SER CA C 292 58.222 57.500 0.722 1
1 567 . 1 1 1 A 48 48 SER CB C 292 63.719 64.533 -0.814 1
1 568 . 1 1 1 A 48 48 SER N N 292 123.481 115.681 7.800 1
1 569 . 1 1 1 A 49 49 ASP H H 293 9.050 8.818 0.232 1
1 570 . 1 1 1 A 49 49 ASP HA H 293 4.482 4.888 -0.406 1
1 573 . 1 1 1 A 49 49 ASP C C 293 176.099 175.704 0.395 1
1 574 . 1 1 1 A 49 49 ASP CA C 293 53.668 53.254 0.414 1
1 575 . 1 1 1 A 49 49 ASP CB C 293 40.100 42.407 -2.307 1
1 576 . 1 1 1 A 49 49 ASP N N 293 131.157 119.149 12.008 1
1 577 . 1 1 1 A 50 50 ASP H H 294 8.324 8.711 -0.387 1
1 578 . 1 1 1 A 50 50 ASP HA H 294 4.167 4.423 -0.256 1
1 581 . 1 1 1 A 50 50 ASP C C 294 176.520 176.850 -0.330 1
1 582 . 1 1 1 A 50 50 ASP CA C 294 57.367 56.550 0.817 1
1 583 . 1 1 1 A 50 50 ASP CB C 294 40.226 40.389 -0.163 1
1 584 . 1 1 1 A 50 50 ASP N N 294 122.206 117.900 4.306 1
1 585 . 1 1 1 A 51 51 LEU H H 295 7.749 7.608 0.141 1
1 586 . 1 1 1 A 51 51 LEU HA H 295 4.281 4.244 0.037 1
1 596 . 1 1 1 A 51 51 LEU C C 295 175.716 176.591 -0.875 1
1 597 . 1 1 1 A 51 51 LEU CA C 295 54.407 55.439 -1.032 1
1 598 . 1 1 1 A 51 51 LEU CB C 295 43.849 43.334 0.515 1
1 602 . 1 1 1 A 51 51 LEU N N 295 121.836 116.736 5.100 1
1 603 . 1 1 1 A 52 52 HIS H H 296 7.548 7.814 -0.266 1
1 604 . 1 1 1 A 52 52 HIS HA H 296 5.091 4.589 0.502 1
1 609 . 1 1 1 A 52 52 HIS C C 296 172.683 174.047 -1.364 1
1 610 . 1 1 1 A 52 52 HIS CA C 296 54.900 54.165 0.735 1
1 611 . 1 1 1 A 52 52 HIS CB C 296 28.894 27.654 1.240 1
1 614 . 1 1 1 A 52 52 HIS N N 296 126.326 115.738 10.588 1
1 615 . 1 1 1 A 53 53 LYS H H 297 8.515 8.439 0.076 1
1 616 . 1 1 1 A 53 53 LYS HA H 297 4.608 4.246 0.362 1
1 625 . 1 1 1 A 53 53 LYS C C 297 174.797 175.756 -0.959 1
1 626 . 1 1 1 A 53 53 LYS CA C 297 54.303 56.623 -2.320 1
1 627 . 1 1 1 A 53 53 LYS CB C 297 35.705 33.148 2.557 1
1 631 . 1 1 1 A 53 53 LYS N N 297 127.067 122.204 4.863 1
1 632 . 1 1 1 A 54 54 MET H H 298 8.379 8.835 -0.456 1
1 633 . 1 1 1 A 54 54 MET HA H 298 5.091 5.148 -0.057 1
1 641 . 1 1 1 A 54 54 MET CA C 298 55.427 54.711 0.716 1
1 642 . 1 1 1 A 54 54 MET CB C 298 34.100 36.148 -2.048 1
1 645 . 1 1 1 A 54 54 MET N N 298 128.992 120.720 8.272 1
1 646 . 1 1 1 A 55 55 ILE H H 299 8.279 8.735 -0.456 1
1 647 . 1 1 1 A 55 55 ILE HA H 299 4.602 5.236 -0.634 1
1 657 . 1 1 1 A 55 55 ILE CA C 299 59.130 59.168 -0.038 1
1 658 . 1 1 1 A 55 55 ILE CB C 299 42.747 42.462 0.285 1
1 662 . 1 1 1 A 56 56 VAL H H 300 9.227 8.995 0.232 1
1 663 . 1 1 1 A 56 56 VAL HA H 300 4.912 5.086 -0.174 1
1 671 . 1 1 1 A 56 56 VAL CA C 300 59.226 59.932 -0.706 1
1 672 . 1 1 1 A 56 56 VAL CB C 300 36.406 34.987 1.419 1
1 675 . 1 1 1 A 57 57 SER H H 301 8.794 9.060 -0.266 1
1 676 . 1 1 1 A 57 57 SER HA H 301 4.575 4.560 0.015 1
1 679 . 1 1 1 A 57 57 SER CA C 301 56.558 58.195 -1.637 1
1 680 . 1 1 1 A 57 57 SER CB C 301 65.617 63.817 1.800 1
1 681 . 1 1 1 A 57 57 SER N N 301 128.893 123.576 5.317 1
1 682 . 1 1 1 A 58 58 GLU HA H 302 4.013 4.064 -0.051 1
1 687 . 1 1 1 A 58 58 GLU CA C 302 58.165 58.801 -0.636 1
1 688 . 1 1 1 A 58 58 GLU CB C 302 29.508 29.164 0.344 1
1 690 . 1 1 1 A 59 59 LYS HA H 303 4.114 4.310 -0.196 1
1 699 . 1 1 1 A 59 59 LYS C C 303 176.755 176.823 -0.068 1
1 700 . 1 1 1 A 59 59 LYS CA C 303 55.913 55.800 0.113 1
1 701 . 1 1 1 A 59 59 LYS CB C 303 31.679 32.743 -1.064 1
1 705 . 1 1 1 A 60 60 GLY H H 304 7.813 8.544 -0.731 1
1 706 . 1 1 1 A 60 60 GLY HA2 H 304 4.037 3.960 0.077 1
1 707 . 1 1 1 A 60 60 GLY HA3 H 304 3.411 3.961 -0.550 1
1 708 . 1 1 1 A 60 60 GLY C C 304 173.480 173.829 -0.349 1
1 709 . 1 1 1 A 60 60 GLY CA C 304 45.955 46.124 -0.169 1
1 710 . 1 1 1 A 60 60 GLY N N 304 113.597 107.249 6.348 1
1 711 . 1 1 1 A 61 61 LEU H H 305 7.253 7.209 0.044 1
1 712 . 1 1 1 A 61 61 LEU HA H 305 4.396 5.013 -0.617 1
1 722 . 1 1 1 A 61 61 LEU CA C 305 54.825 54.197 0.628 1
1 723 . 1 1 1 A 61 61 LEU CB C 305 43.099 45.514 -2.415 1
1 727 . 1 1 1 A 61 61 LEU N N 305 128.081 120.943 7.138 1
1 728 . 1 1 1 A 62 62 HIS H H 306 8.294 9.322 -1.028 1
1 733 . 1 1 1 A 62 62 HIS N N 306 130.344 127.428 2.916 1
1 734 . 1 1 1 A 63 63 SER HA H 307 5.980 5.198 0.782 1
1 737 . 1 1 1 A 63 63 SER CA C 307 57.517 57.162 0.355 1
1 738 . 1 1 1 A 63 63 SER CB C 307 66.760 65.148 1.612 1
1 739 . 1 1 1 A 64 64 LEU H H 308 8.827 8.748 0.079 1
1 740 . 1 1 1 A 64 64 LEU HA H 308 4.657 4.619 0.038 1
1 750 . 1 1 1 A 64 64 LEU C C 308 174.337 174.562 -0.225 1
1 751 . 1 1 1 A 64 64 LEU CA C 308 54.386 53.563 0.823 1
1 752 . 1 1 1 A 64 64 LEU CB C 308 42.678 44.638 -1.960 1
1 756 . 1 1 1 A 65 65 ILE H H 309 9.009 8.878 0.131 1
1 757 . 1 1 1 A 65 65 ILE HA H 309 3.880 4.852 -0.972 1
1 767 . 1 1 1 A 65 65 ILE C C 309 173.963 174.358 -0.395 1
1 768 . 1 1 1 A 65 65 ILE CA C 309 60.296 59.506 0.790 1
1 769 . 1 1 1 A 65 65 ILE CB C 309 40.727 40.494 0.233 1
1 773 . 1 1 1 A 65 65 ILE N N 309 133.046 127.417 5.629 1
1 774 . 1 1 1 A 66 66 PHE H H 310 8.508 8.845 -0.337 1
1 775 . 1 1 1 A 66 66 PHE HA H 310 4.367 4.854 -0.487 1
1 783 . 1 1 1 A 66 66 PHE C C 310 174.555 175.813 -1.258 1
1 784 . 1 1 1 A 66 66 PHE CA C 310 54.878 55.851 -0.973 1
1 785 . 1 1 1 A 66 66 PHE CB C 310 38.819 39.973 -1.154 1
1 789 . 1 1 1 A 66 66 PHE N N 310 132.294 125.545 6.749 1
1 790 . 1 1 1 A 67 67 GLU H H 311 7.879 8.815 -0.936 1
1 791 . 1 1 1 A 67 67 GLU HA H 311 4.025 4.397 -0.372 1
1 796 . 1 1 1 A 67 67 GLU C C 311 177.819 177.195 0.624 1
1 797 . 1 1 1 A 67 67 GLU CA C 311 59.266 59.218 0.048 1
1 798 . 1 1 1 A 67 67 GLU CB C 311 30.421 30.563 -0.142 1
1 800 . 1 1 1 A 67 67 GLU N N 311 127.092 124.055 3.037 1
1 801 . 1 1 1 A 68 68 VAL H H 312 7.428 7.588 -0.160 1
1 802 . 1 1 1 A 68 68 VAL HA H 312 3.402 4.492 -1.090 1
1 810 . 1 1 1 A 68 68 VAL C C 312 173.921 174.128 -0.207 1
1 811 . 1 1 1 A 68 68 VAL CA C 312 61.444 61.024 0.420 1
1 812 . 1 1 1 A 68 68 VAL CB C 312 34.790 32.932 1.858 1
1 815 . 1 1 1 A 68 68 VAL N N 312 120.315 116.916 3.399 1
1 816 . 1 1 1 A 69 69 VAL H H 313 8.233 8.676 -0.443 1
1 817 . 1 1 1 A 69 69 VAL HA H 313 3.829 4.215 -0.386 1
1 825 . 1 1 1 A 69 69 VAL C C 313 175.123 175.210 -0.087 1
1 826 . 1 1 1 A 69 69 VAL CA C 313 63.200 62.799 0.401 1
1 827 . 1 1 1 A 69 69 VAL CB C 313 32.836 32.413 0.423 1
1 830 . 1 1 1 A 69 69 VAL N N 313 132.928 128.908 4.020 1
1 831 . 1 1 1 A 70 70 ARG H H 314 9.259 8.920 0.339 1
1 832 . 1 1 1 A 70 70 ARG HA H 314 4.776 4.731 0.045 1
1 839 . 1 1 1 A 70 70 ARG C C 314 177.491 176.557 0.934 1
1 840 . 1 1 1 A 70 70 ARG CA C 314 53.728 53.812 -0.084 1
1 841 . 1 1 1 A 70 70 ARG CB C 314 34.282 33.152 1.130 1
1 844 . 1 1 1 A 70 70 ARG N N 314 133.209 127.460 5.749 1
1 845 . 1 1 1 A 71 71 ALA H H 315 9.059 8.902 0.157 1
1 846 . 1 1 1 A 71 71 ALA HA H 315 3.676 4.017 -0.341 1
1 850 . 1 1 1 A 71 71 ALA C C 315 180.122 179.736 0.386 1
1 851 . 1 1 1 A 71 71 ALA CA C 315 56.356 55.205 1.151 1
1 852 . 1 1 1 A 71 71 ALA CB C 315 17.923 18.418 -0.495 1
1 853 . 1 1 1 A 71 71 ALA N N 315 131.839 124.472 7.367 1
1 854 . 1 1 1 A 72 72 SER H H 316 7.735 7.990 -0.255 1
1 855 . 1 1 1 A 72 72 SER HA H 316 4.046 4.238 -0.192 1
1 858 . 1 1 1 A 72 72 SER C C 316 175.495 174.671 0.824 1
1 859 . 1 1 1 A 72 72 SER CA C 316 60.037 61.288 -1.251 1
1 860 . 1 1 1 A 72 72 SER CB C 316 62.381 63.124 -0.743 1
1 861 . 1 1 1 A 72 72 SER N N 316 115.841 113.485 2.356 1
1 862 . 1 1 1 A 73 73 ASP H H 317 8.175 7.929 0.246 1
1 863 . 1 1 1 A 73 73 ASP HA H 317 4.644 4.732 -0.088 1
1 866 . 1 1 1 A 73 73 ASP C C 317 176.176 176.287 -0.111 1
1 867 . 1 1 1 A 73 73 ASP CA C 317 55.305 54.971 0.334 1
1 868 . 1 1 1 A 73 73 ASP CB C 317 42.572 41.434 1.138 1
1 869 . 1 1 1 A 73 73 ASP N N 317 126.327 119.160 7.167 1
1 870 . 1 1 1 A 74 74 ALA H H 318 7.339 6.941 0.398 1
1 871 . 1 1 1 A 74 74 ALA HA H 318 4.013 4.241 -0.228 1
1 875 . 1 1 1 A 74 74 ALA C C 318 176.813 177.187 -0.374 1
1 876 . 1 1 1 A 74 74 ALA CA C 318 53.570 53.053 0.517 1
1 877 . 1 1 1 A 74 74 ALA CB C 318 20.548 20.558 -0.010 1
1 878 . 1 1 1 A 74 74 ALA N N 318 127.859 121.591 6.268 1
1 879 . 1 1 1 A 75 75 GLY H H 319 8.797 8.756 0.041 1
1 880 . 1 1 1 A 75 75 GLY HA2 H 319 3.599 4.089 -0.490 1
1 881 . 1 1 1 A 75 75 GLY HA3 H 319 4.239 4.146 0.093 1
1 882 . 1 1 1 A 75 75 GLY C C 319 170.102 172.066 -1.964 1
1 883 . 1 1 1 A 75 75 GLY CA C 319 45.105 44.297 0.808 1
1 884 . 1 1 1 A 75 75 GLY N N 319 114.261 107.146 7.115 1
1 885 . 1 1 1 A 76 76 ALA H H 320 7.621 8.097 -0.476 1
1 886 . 1 1 1 A 76 76 ALA HA H 320 4.521 4.722 -0.201 1
1 890 . 1 1 1 A 76 76 ALA C C 320 176.291 176.444 -0.153 1
1 891 . 1 1 1 A 76 76 ALA CA C 320 51.158 51.359 -0.201 1
1 892 . 1 1 1 A 76 76 ALA CB C 320 19.242 19.529 -0.287 1
1 893 . 1 1 1 A 76 76 ALA N N 320 129.042 122.926 6.116 1
1 894 . 1 1 1 A 77 77 TYR H H 321 9.406 8.928 0.478 1
1 895 . 1 1 1 A 77 77 TYR HA H 321 5.237 5.183 0.054 1
1 903 . 1 1 1 A 77 77 TYR C C 321 175.676 176.094 -0.418 1
1 904 . 1 1 1 A 77 77 TYR CA C 321 57.779 58.161 -0.382 1
1 905 . 1 1 1 A 77 77 TYR CB C 321 40.623 39.990 0.633 1
1 908 . 1 1 1 A 77 77 TYR N N 321 132.635 124.669 7.966 1
1 909 . 1 1 1 A 78 78 ALA H H 322 9.084 9.102 -0.018 1
1 910 . 1 1 1 A 78 78 ALA HA H 322 5.031 5.312 -0.281 1
1 914 . 1 1 1 A 78 78 ALA CA C 322 50.120 51.422 -1.302 1
1 915 . 1 1 1 A 78 78 ALA CB C 322 21.653 24.144 -2.491 1
1 916 . 1 1 1 A 78 78 ALA N N 322 130.291 122.278 8.013 1
1 917 . 1 1 1 A 79 79 CYS H H 323 7.932 8.937 -1.005 1
1 918 . 1 1 1 A 79 79 CYS HA H 323 4.037 5.052 -1.015 1
1 919 . 1 1 1 A 79 79 CYS C C 323 173.727 172.306 1.421 1
1 920 . 1 1 1 A 79 79 CYS CA C 323 56.345 56.169 0.176 1
1 921 . 1 1 1 A 80 80 VAL H H 324 8.671 8.651 0.020 1
1 922 . 1 1 1 A 80 80 VAL HA H 324 4.596 4.909 -0.313 1
1 930 . 1 1 1 A 80 80 VAL C C 324 174.904 173.234 1.670 1
1 931 . 1 1 1 A 80 80 VAL CA C 324 60.907 59.731 1.176 1
1 932 . 1 1 1 A 80 80 VAL CB C 324 34.334 35.310 -0.976 1
1 934 . 1 1 1 A 80 80 VAL N N 324 135.079 120.261 14.818 1
1 935 . 1 1 1 A 81 81 ALA H H 325 9.107 9.058 0.049 1
1 936 . 1 1 1 A 81 81 ALA HA H 325 5.220 5.450 -0.230 1
1 940 . 1 1 1 A 81 81 ALA C C 325 175.446 176.050 -0.604 1
1 941 . 1 1 1 A 81 81 ALA CA C 325 49.197 49.983 -0.786 1
1 942 . 1 1 1 A 81 81 ALA CB C 325 22.479 21.536 0.943 1
1 943 . 1 1 1 A 81 81 ALA N N 325 136.369 130.754 5.615 1
1 944 . 1 1 1 A 82 82 LYS H H 326 8.734 8.919 -0.185 1
1 945 . 1 1 1 A 82 82 LYS HA H 326 5.021 5.109 -0.088 1
1 954 . 1 1 1 A 82 82 LYS C C 326 175.054 175.344 -0.290 1
1 955 . 1 1 1 A 82 82 LYS CA C 326 55.451 54.534 0.917 1
1 956 . 1 1 1 A 82 82 LYS CB C 326 37.852 35.503 2.349 1
1 960 . 1 1 1 A 82 82 LYS N N 326 128.038 122.720 5.318 1
1 961 . 1 1 1 A 83 83 ASN H H 327 8.949 8.790 0.159 1
1 962 . 1 1 1 A 83 83 ASN HA H 327 4.624 5.101 -0.477 1
1 967 . 1 1 1 A 83 83 ASN C C 327 176.409 175.536 0.873 1
1 968 . 1 1 1 A 83 83 ASN CA C 327 51.838 51.379 0.459 1
1 969 . 1 1 1 A 83 83 ASN CB C 327 40.927 39.850 1.077 1
1 970 . 1 1 1 A 83 83 ASN N N 327 128.769 121.735 7.034 1
1 972 . 1 1 1 A 84 84 ARG H H 328 8.203 9.109 -0.906 1
1 973 . 1 1 1 A 84 84 ARG HA H 328 3.917 4.078 -0.161 1
1 981 . 1 1 1 A 84 84 ARG C C 328 175.820 176.135 -0.315 1
1 982 . 1 1 1 A 84 84 ARG CA C 328 58.250 58.304 -0.054 1
1 983 . 1 1 1 A 84 84 ARG CB C 328 29.985 29.670 0.315 1
1 986 . 1 1 1 A 84 84 ARG N N 328 121.021 117.821 3.200 1
1 988 . 1 1 1 A 85 85 ALA H H 329 7.599 8.036 -0.437 1
1 989 . 1 1 1 A 85 85 ALA HA H 329 4.279 4.484 -0.205 1
1 993 . 1 1 1 A 85 85 ALA C C 329 177.261 177.146 0.115 1
1 994 . 1 1 1 A 85 85 ALA CA C 329 51.905 51.906 -0.001 1
1 995 . 1 1 1 A 85 85 ALA CB C 329 19.637 20.194 -0.557 1
1 996 . 1 1 1 A 85 85 ALA N N 329 125.074 121.690 3.384 1
1 997 . 1 1 1 A 86 86 GLY H H 330 7.624 7.086 0.538 1
1 998 . 1 1 1 A 86 86 GLY HA2 H 330 3.806 4.052 -0.246 1
1 999 . 1 1 1 A 86 86 GLY HA3 H 330 4.164 4.053 0.111 1
1 1000 . 1 1 1 A 86 86 GLY C C 330 169.646 170.833 -1.187 1
1 1001 . 1 1 1 A 86 86 GLY CA C 330 46.012 45.798 0.214 1
1 1002 . 1 1 1 A 86 86 GLY N N 330 112.891 103.472 9.419 1
1 1003 . 1 1 1 A 87 87 GLU H H 331 8.213 8.452 -0.239 1
1 1004 . 1 1 1 A 87 87 GLU HA H 331 5.274 5.351 -0.077 1
1 1009 . 1 1 1 A 87 87 GLU C C 331 174.418 174.634 -0.216 1
1 1010 . 1 1 1 A 87 87 GLU CA C 331 54.349 54.867 -0.518 1
1 1011 . 1 1 1 A 87 87 GLU CB C 331 34.615 33.526 1.089 1
1 1013 . 1 1 1 A 87 87 GLU N N 331 123.208 120.224 2.984 1
1 1014 . 1 1 1 A 88 88 ALA H H 332 8.897 8.748 0.149 1
1 1015 . 1 1 1 A 88 88 ALA HA H 332 4.569 4.894 -0.325 1
1 1019 . 1 1 1 A 88 88 ALA C C 332 175.121 174.875 0.246 1
1 1020 . 1 1 1 A 88 88 ALA CA C 332 51.592 50.433 1.159 1
1 1021 . 1 1 1 A 88 88 ALA CB C 332 23.324 23.299 0.025 1
1 1022 . 1 1 1 A 88 88 ALA N N 332 131.757 125.732 6.025 1
1 1023 . 1 1 1 A 89 89 THR H H 333 8.521 7.897 0.624 1
1 1024 . 1 1 1 A 89 89 THR HA H 333 5.661 4.898 0.763 1
1 1029 . 1 1 1 A 89 89 THR C C 333 173.827 172.988 0.839 1
1 1030 . 1 1 1 A 89 89 THR CA C 333 60.601 60.677 -0.076 1
1 1031 . 1 1 1 A 89 89 THR CB C 333 72.140 71.754 0.386 1
1 1033 . 1 1 1 A 89 89 THR N N 333 121.100 114.773 6.327 1
1 1034 . 1 1 1 A 90 90 PHE H H 334 8.603 8.850 -0.247 1
1 1035 . 1 1 1 A 90 90 PHE HA H 334 4.624 5.438 -0.814 1
1 1043 . 1 1 1 A 90 90 PHE CA C 334 56.618 56.135 0.483 1
1 1044 . 1 1 1 A 90 90 PHE CB C 334 42.489 43.666 -1.177 1
1 1048 . 1 1 1 A 91 91 THR H H 335 8.174 8.909 -0.735 1
1 1049 . 1 1 1 A 91 91 THR HA H 335 5.445 5.329 0.116 1
1 1054 . 1 1 1 A 91 91 THR CA C 335 60.110 61.466 -1.356 1
1 1055 . 1 1 1 A 91 91 THR CB C 335 71.671 72.431 -0.760 1
1 1057 . 1 1 1 A 92 92 VAL H H 336 9.158 9.021 0.137 1
1 1058 . 1 1 1 A 92 92 VAL HA H 336 4.432 4.938 -0.506 1
1 1066 . 1 1 1 A 92 92 VAL C C 336 171.594 173.084 -1.490 1
1 1067 . 1 1 1 A 92 92 VAL CA C 336 60.914 60.330 0.584 1
1 1068 . 1 1 1 A 92 92 VAL CB C 336 35.760 35.925 -0.165 1
1 1071 . 1 1 1 A 92 92 VAL N N 336 130.220 122.448 7.772 1
1 1072 . 1 1 1 A 93 93 GLN H H 337 8.302 8.972 -0.670 1
1 1073 . 1 1 1 A 93 93 GLN HA H 337 4.756 5.455 -0.699 1
1 1080 . 1 1 1 A 93 93 GLN C C 337 174.009 173.879 0.130 1
1 1081 . 1 1 1 A 93 93 GLN CA C 337 54.672 54.456 0.216 1
1 1082 . 1 1 1 A 93 93 GLN CB C 337 30.071 31.868 -1.797 1
1 1084 . 1 1 1 A 93 93 GLN N N 337 133.412 126.788 6.624 1
1 1086 . 1 1 1 A 94 94 LEU H H 338 8.812 9.111 -0.299 1
1 1087 . 1 1 1 A 94 94 LEU HA H 338 4.836 4.992 -0.156 1
1 1097 . 1 1 1 A 94 94 LEU C C 338 175.099 174.129 0.970 1
1 1098 . 1 1 1 A 94 94 LEU CA C 338 53.725 53.924 -0.199 1
1 1099 . 1 1 1 A 94 94 LEU CB C 338 44.955 45.724 -0.769 1
1 1103 . 1 1 1 A 94 94 LEU N N 338 133.816 126.549 7.267 1
1 1104 . 1 1 1 A 95 95 ASP H H 339 8.747 9.212 -0.465 1
1 1105 . 1 1 1 A 95 95 ASP HA H 339 4.871 4.969 -0.098 1
1 1108 . 1 1 1 A 95 95 ASP C C 339 174.295 174.729 -0.434 1
1 1109 . 1 1 1 A 95 95 ASP CA C 339 53.311 52.786 0.525 1
1 1110 . 1 1 1 A 95 95 ASP CB C 339 42.895 41.036 1.859 1
1 1111 . 1 1 1 A 95 95 ASP N N 339 134.770 128.804 5.966 1
1 1112 . 1 1 1 A 96 96 VAL H H 340 7.745 8.250 -0.505 1
1 1113 . 1 1 1 A 96 96 VAL HA H 340 4.653 4.082 0.571 1
1 1121 . 1 1 1 A 96 96 VAL C C 340 175.494 175.530 -0.036 1
1 1122 . 1 1 1 A 96 96 VAL CA C 340 60.722 62.991 -2.269 1
1 1123 . 1 1 1 A 96 96 VAL CB C 340 33.852 31.507 2.345 1
1 1126 . 1 1 1 A 96 96 VAL N N 340 128.328 125.113 3.215 1
1 1127 . 1 1 1 A 97 97 LEU H H 341 8.524 8.878 -0.354 1
1 1128 . 1 1 1 A 97 97 LEU HA H 341 4.243 4.613 -0.370 1
1 1138 . 1 1 1 A 97 97 LEU C C 341 176.052 176.437 -0.385 1
1 1139 . 1 1 1 A 97 97 LEU CA C 341 54.086 54.319 -0.233 1
1 1140 . 1 1 1 A 97 97 LEU CB C 341 41.446 41.047 0.399 1
1 1144 . 1 1 1 A 97 97 LEU N N 341 136.554 129.525 7.029 1
1 1145 . 1 1 1 A 98 98 ALA H H 342 8.344 8.545 -0.201 1
1 1146 . 1 1 1 A 98 98 ALA HA H 342 4.227 4.366 -0.139 1
1 1150 . 1 1 1 A 98 98 ALA C C 342 177.569 178.085 -0.516 1
1 1151 . 1 1 1 A 98 98 ALA CA C 342 51.964 52.561 -0.597 1
1 1152 . 1 1 1 A 98 98 ALA CB C 342 19.976 19.675 0.301 1
1 1153 . 1 1 1 A 98 98 ALA N N 342 134.558 128.363 6.195 1
1 1154 . 1 1 1 A 99 99 LYS H H 343 8.552 7.872 0.680 1
1 1155 . 1 1 1 A 99 99 LYS HA H 343 4.119 4.708 -0.589 1
1 1164 . 1 1 1 A 99 99 LYS C C 343 175.859 176.946 -1.087 1
1 1165 . 1 1 1 A 99 99 LYS CA C 343 56.453 55.487 0.966 1
1 1166 . 1 1 1 A 99 99 LYS CB C 343 33.257 32.835 0.422 1
1 1170 . 1 1 1 A 99 99 LYS N N 343 128.906 117.620 11.286 1
1 4 . 2 1 1 A 2 2 ALA HA H -3 4.167 4.231 -0.064 1
1 8 . 2 1 1 A 2 2 ALA C C -3 177.254 177.276 -0.022 1
1 9 . 2 1 1 A 2 2 ALA CA C -3 52.427 52.348 0.079 1
1 10 . 2 1 1 A 2 2 ALA CB C -3 19.740 19.333 0.407 1
1 11 . 2 1 1 A 3 3 MET H H -2 8.135 8.607 -0.472 1
1 12 . 2 1 1 A 3 3 MET HA H -2 4.351 4.510 -0.159 1
1 20 . 2 1 1 A 3 3 MET C C -2 176.007 175.692 0.315 1
1 21 . 2 1 1 A 3 3 MET CA C -2 55.444 55.337 0.107 1
1 22 . 2 1 1 A 3 3 MET CB C -2 34.277 33.426 0.851 1
1 25 . 2 1 1 A 3 3 MET N N -2 125.628 120.686 4.942 1
1 43 . 2 1 1 A 6 6 PRO HA H 250 4.591 4.849 -0.258 1
1 50 . 2 1 1 A 6 6 PRO C C 250 175.444 175.530 -0.086 1
1 51 . 2 1 1 A 6 6 PRO CA C 250 61.829 62.825 -0.996 1
1 52 . 2 1 1 A 6 6 PRO CB C 250 32.464 32.593 -0.129 1
1 55 . 2 1 1 A 7 7 ARG H H 251 7.588 9.019 -1.431 1
1 56 . 2 1 1 A 7 7 ARG HA H 251 4.078 4.836 -0.758 1
1 64 . 2 1 1 A 7 7 ARG C C 251 175.065 175.048 0.017 1
1 65 . 2 1 1 A 7 7 ARG CA C 251 54.552 55.343 -0.791 1
1 66 . 2 1 1 A 7 7 ARG CB C 251 33.587 33.870 -0.283 1
1 69 . 2 1 1 A 7 7 ARG N N 251 124.900 122.589 2.311 1
1 71 . 2 1 1 A 8 8 PHE H H 252 8.893 9.135 -0.242 1
1 72 . 2 1 1 A 8 8 PHE HA H 252 4.708 4.574 0.134 1
1 80 . 2 1 1 A 8 8 PHE CA C 252 59.744 59.676 0.068 1
1 81 . 2 1 1 A 8 8 PHE CB C 252 39.263 39.241 0.022 1
1 85 . 2 1 1 A 8 8 PHE N N 252 128.828 124.897 3.931 1
1 86 . 2 1 1 A 9 9 ILE H H 253 8.223 8.710 -0.487 1
1 87 . 2 1 1 A 9 9 ILE HA H 253 4.090 4.247 -0.157 1
1 97 . 2 1 1 A 9 9 ILE C C 253 175.698 176.089 -0.391 1
1 98 . 2 1 1 A 9 9 ILE CA C 253 61.230 62.179 -0.949 1
1 99 . 2 1 1 A 9 9 ILE CB C 253 39.165 38.709 0.456 1
1 103 . 2 1 1 A 9 9 ILE N N 253 128.239 124.999 3.240 1
1 104 . 2 1 1 A 10 10 GLN H H 254 7.437 7.603 -0.166 1
1 105 . 2 1 1 A 10 10 GLN HA H 254 4.450 4.714 -0.264 1
1 112 . 2 1 1 A 10 10 GLN C C 254 174.149 173.990 0.159 1
1 113 . 2 1 1 A 10 10 GLN CA C 254 56.197 55.516 0.681 1
1 114 . 2 1 1 A 10 10 GLN CB C 254 32.367 32.359 0.008 1
1 116 . 2 1 1 A 10 10 GLN N N 254 127.323 116.668 10.655 1
1 118 . 2 1 1 A 11 11 VAL H H 255 8.283 8.718 -0.435 1
1 119 . 2 1 1 A 11 11 VAL HA H 255 4.185 4.497 -0.312 1
1 127 . 2 1 1 A 11 11 VAL CA C 255 57.931 57.739 0.192 1
1 128 . 2 1 1 A 11 11 VAL CB C 255 33.230 33.940 -0.710 1
1 131 . 2 1 1 A 11 11 VAL N N 255 126.734 119.245 7.489 1
1 132 . 2 1 1 A 12 12 PRO HA H 256 4.538 4.456 0.082 1
1 139 . 2 1 1 A 12 12 PRO CA C 256 62.209 62.094 0.115 1
1 140 . 2 1 1 A 12 12 PRO CB C 256 31.724 32.118 -0.394 1
1 143 . 2 1 1 A 13 13 GLU H H 257 7.870 8.492 -0.622 1
1 144 . 2 1 1 A 13 13 GLU HA H 257 4.257 4.488 -0.231 1
1 149 . 2 1 1 A 13 13 GLU CA C 257 54.764 56.228 -1.464 1
1 150 . 2 1 1 A 13 13 GLU CB C 257 31.690 30.582 1.108 1
1 152 . 2 1 1 A 13 13 GLU N N 257 124.369 120.516 3.853 1
1 153 . 2 1 1 A 14 14 ASN H H 258 8.133 8.634 -0.501 1
1 154 . 2 1 1 A 14 14 ASN HA H 258 4.639 4.771 -0.132 1
1 159 . 2 1 1 A 14 14 ASN CA C 258 54.285 53.121 1.164 1
1 160 . 2 1 1 A 14 14 ASN CB C 258 38.023 38.920 -0.897 1
1 161 . 2 1 1 A 14 14 ASN N N 258 123.151 120.350 2.801 1
1 163 . 2 1 1 A 15 15 MET H H 259 8.295 8.807 -0.512 1
1 164 . 2 1 1 A 15 15 MET HA H 259 4.695 5.291 -0.596 1
1 172 . 2 1 1 A 15 15 MET C C 259 174.675 174.236 0.439 1
1 173 . 2 1 1 A 15 15 MET CA C 259 55.153 53.818 1.335 1
1 174 . 2 1 1 A 15 15 MET CB C 259 38.064 37.346 0.718 1
1 177 . 2 1 1 A 15 15 MET N N 259 125.442 120.410 5.032 1
1 178 . 2 1 1 A 16 16 SER H H 260 8.332 8.820 -0.488 1
1 179 . 2 1 1 A 16 16 SER HA H 260 5.261 5.348 -0.087 1
1 182 . 2 1 1 A 16 16 SER C C 260 172.889 173.301 -0.412 1
1 183 . 2 1 1 A 16 16 SER CA C 260 56.748 56.911 -0.163 1
1 184 . 2 1 1 A 16 16 SER CB C 260 64.170 65.507 -1.337 1
1 185 . 2 1 1 A 16 16 SER N N 260 125.417 113.484 11.933 1
1 186 . 2 1 1 A 17 17 ILE H H 261 8.394 9.088 -0.694 1
1 187 . 2 1 1 A 17 17 ILE HA H 261 4.366 4.643 -0.277 1
1 197 . 2 1 1 A 17 17 ILE C C 261 173.465 175.257 -1.792 1
1 198 . 2 1 1 A 17 17 ILE CA C 261 57.461 60.106 -2.645 1
1 199 . 2 1 1 A 17 17 ILE CB C 261 41.882 41.379 0.503 1
1 203 . 2 1 1 A 17 17 ILE N N 261 131.680 125.885 5.795 1
1 204 . 2 1 1 A 18 18 ASP H H 262 8.043 8.731 -0.688 1
1 205 . 2 1 1 A 18 18 ASP HA H 262 4.498 4.514 -0.016 1
1 208 . 2 1 1 A 18 18 ASP C C 262 174.970 175.858 -0.888 1
1 209 . 2 1 1 A 18 18 ASP CA C 262 54.962 54.639 0.323 1
1 210 . 2 1 1 A 18 18 ASP CB C 262 41.518 41.260 0.258 1
1 211 . 2 1 1 A 18 18 ASP N N 262 132.455 127.650 4.805 1
1 212 . 2 1 1 A 19 19 GLU H H 263 8.058 8.767 -0.709 1
1 213 . 2 1 1 A 19 19 GLU HA H 263 3.322 3.930 -0.608 1
1 218 . 2 1 1 A 19 19 GLU C C 263 176.656 177.269 -0.613 1
1 219 . 2 1 1 A 19 19 GLU CA C 263 58.351 58.286 0.065 1
1 220 . 2 1 1 A 19 19 GLU CB C 263 29.716 29.357 0.359 1
1 222 . 2 1 1 A 19 19 GLU N N 263 126.424 124.735 1.689 1
1 223 . 2 1 1 A 20 20 GLY H H 264 9.131 9.129 0.002 1
1 224 . 2 1 1 A 20 20 GLY HA2 H 264 3.366 3.993 -0.627 1
1 225 . 2 1 1 A 20 20 GLY HA3 H 264 4.196 3.997 0.199 1
1 226 . 2 1 1 A 20 20 GLY C C 264 174.582 174.894 -0.312 1
1 227 . 2 1 1 A 20 20 GLY CA C 264 44.837 45.092 -0.255 1
1 228 . 2 1 1 A 20 20 GLY N N 264 119.124 114.948 4.176 1
1 229 . 2 1 1 A 21 21 ARG H H 265 7.192 7.425 -0.233 1
1 230 . 2 1 1 A 21 21 ARG HA H 265 4.377 4.446 -0.069 1
1 238 . 2 1 1 A 21 21 ARG C C 265 174.091 175.677 -1.586 1
1 239 . 2 1 1 A 21 21 ARG CA C 265 55.263 55.892 -0.629 1
1 240 . 2 1 1 A 21 21 ARG CB C 265 31.467 31.722 -0.255 1
1 243 . 2 1 1 A 21 21 ARG N N 265 126.182 120.352 5.830 1
1 245 . 2 1 1 A 22 22 PHE H H 266 7.699 8.900 -1.201 1
1 246 . 2 1 1 A 22 22 PHE HA H 266 4.688 4.965 -0.277 1
1 254 . 2 1 1 A 22 22 PHE C C 266 175.911 174.780 1.131 1
1 255 . 2 1 1 A 22 22 PHE CA C 266 57.132 59.036 -1.904 1
1 256 . 2 1 1 A 22 22 PHE CB C 266 41.270 40.132 1.138 1
1 260 . 2 1 1 A 22 22 PHE N N 266 127.111 122.682 4.429 1
1 261 . 2 1 1 A 23 23 CYS H H 267 8.140 8.341 -0.201 1
1 262 . 2 1 1 A 23 23 CYS HA H 267 4.282 5.077 -0.795 1
1 265 . 2 1 1 A 23 23 CYS C C 267 170.233 172.778 -2.545 1
1 266 . 2 1 1 A 23 23 CYS CA C 267 57.626 56.334 1.292 1
1 267 . 2 1 1 A 23 23 CYS CB C 267 30.411 32.068 -1.657 1
1 268 . 2 1 1 A 23 23 CYS N N 267 130.194 124.412 5.782 1
1 269 . 2 1 1 A 24 24 ARG H H 268 8.160 8.945 -0.785 1
1 270 . 2 1 1 A 24 24 ARG HA H 268 5.167 5.251 -0.084 1
1 278 . 2 1 1 A 24 24 ARG CA C 268 53.910 53.951 -0.041 1
1 279 . 2 1 1 A 24 24 ARG CB C 268 35.114 34.633 0.481 1
1 283 . 2 1 1 A 25 25 MET H H 269 8.839 8.714 0.125 1
1 284 . 2 1 1 A 25 25 MET HA H 269 4.518 5.283 -0.765 1
1 292 . 2 1 1 A 25 25 MET C C 269 174.090 174.001 0.089 1
1 293 . 2 1 1 A 25 25 MET CA C 269 54.960 53.683 1.277 1
1 294 . 2 1 1 A 25 25 MET CB C 269 35.645 37.523 -1.878 1
1 297 . 2 1 1 A 25 25 MET N N 269 127.757 118.990 8.767 1
1 298 . 2 1 1 A 26 26 ASP H H 270 8.473 9.002 -0.529 1
1 299 . 2 1 1 A 26 26 ASP HA H 270 5.772 5.406 0.366 1
1 302 . 2 1 1 A 26 26 ASP CA C 270 53.157 53.370 -0.213 1
1 303 . 2 1 1 A 26 26 ASP CB C 270 43.595 42.365 1.230 1
1 304 . 2 1 1 A 26 26 ASP N N 270 129.880 120.733 9.147 1
1 305 . 2 1 1 A 27 27 PHE H H 271 9.180 9.243 -0.063 1
1 306 . 2 1 1 A 27 27 PHE HA H 271 5.014 5.069 -0.055 1
1 314 . 2 1 1 A 27 27 PHE CA C 271 55.904 56.261 -0.357 1
1 317 . 2 1 1 A 27 27 PHE N N 271 123.116 124.024 -0.908 1
1 318 . 2 1 1 A 28 28 LYS H H 272 9.221 8.724 0.497 1
1 327 . 2 1 1 A 28 28 LYS CA C 272 59.294 56.397 2.897 1
1 328 . 2 1 1 A 28 28 LYS CB C 272 38.090 32.769 5.321 1
1 332 . 2 1 1 A 28 28 LYS N N 272 131.321 125.374 5.947 1
1 333 . 2 1 1 A 29 29 VAL H H 273 8.304 8.640 -0.336 1
1 334 . 2 1 1 A 29 29 VAL HA H 273 4.331 4.961 -0.630 1
1 342 . 2 1 1 A 29 29 VAL C C 273 175.240 173.390 1.850 1
1 343 . 2 1 1 A 29 29 VAL CA C 273 61.020 59.420 1.600 1
1 344 . 2 1 1 A 29 29 VAL CB C 273 33.889 35.762 -1.873 1
1 347 . 2 1 1 A 30 30 SER H H 274 8.545 8.951 -0.406 1
1 348 . 2 1 1 A 30 30 SER HA H 274 4.647 5.141 -0.494 1
1 351 . 2 1 1 A 30 30 SER C C 274 172.993 172.916 0.077 1
1 352 . 2 1 1 A 30 30 SER CA C 274 56.505 56.397 0.108 1
1 353 . 2 1 1 A 30 30 SER CB C 274 65.805 65.638 0.167 1
1 354 . 2 1 1 A 30 30 SER N N 274 129.796 121.818 7.978 1
1 355 . 2 1 1 A 31 31 GLY H H 275 7.712 8.464 -0.752 1
1 356 . 2 1 1 A 31 31 GLY HA2 H 275 3.220 4.158 -0.938 1
1 357 . 2 1 1 A 31 31 GLY HA3 H 275 3.649 4.161 -0.512 1
1 358 . 2 1 1 A 31 31 GLY C C 275 170.984 171.302 -0.318 1
1 359 . 2 1 1 A 31 31 GLY CA C 275 45.099 44.504 0.595 1
1 360 . 2 1 1 A 31 31 GLY N N 275 115.009 110.801 4.208 1
1 361 . 2 1 1 A 32 32 LEU H H 276 7.668 8.264 -0.596 1
1 362 . 2 1 1 A 32 32 LEU HA H 276 4.301 4.873 -0.572 1
1 372 . 2 1 1 A 32 32 LEU C C 276 173.812 174.998 -1.186 1
1 373 . 2 1 1 A 32 32 LEU CA C 276 52.370 51.325 1.045 1
1 374 . 2 1 1 A 32 32 LEU CB C 276 45.554 45.572 -0.018 1
1 378 . 2 1 1 A 32 32 LEU N N 276 129.727 121.102 8.625 1
1 379 . 2 1 1 A 33 33 PRO HA H 277 4.416 4.602 -0.186 1
1 386 . 2 1 1 A 33 33 PRO CA C 277 62.576 62.347 0.229 1
1 387 . 2 1 1 A 33 33 PRO CB C 277 35.012 32.692 2.320 1
1 390 . 2 1 1 A 34 34 ALA H H 278 8.598 8.332 0.266 1
1 391 . 2 1 1 A 34 34 ALA HA H 278 4.153 4.328 -0.175 1
1 395 . 2 1 1 A 34 34 ALA CA C 278 50.822 50.630 0.192 1
1 396 . 2 1 1 A 34 34 ALA CB C 278 17.462 18.431 -0.969 1
1 397 . 2 1 1 A 34 34 ALA N N 278 131.518 124.303 7.215 1
1 398 . 2 1 1 A 35 35 PRO HA H 279 4.206 4.480 -0.274 1
1 405 . 2 1 1 A 35 35 PRO C C 279 175.701 175.944 -0.243 1
1 406 . 2 1 1 A 35 35 PRO CA C 279 62.628 62.521 0.107 1
1 407 . 2 1 1 A 35 35 PRO CB C 279 33.069 32.024 1.045 1
1 410 . 2 1 1 A 36 36 ASP H H 280 8.621 8.430 0.191 1
1 411 . 2 1 1 A 36 36 ASP HA H 280 4.659 4.687 -0.028 1
1 414 . 2 1 1 A 36 36 ASP C C 280 176.057 176.021 0.036 1
1 415 . 2 1 1 A 36 36 ASP CA C 280 54.307 54.116 0.191 1
1 416 . 2 1 1 A 36 36 ASP CB C 280 42.741 41.797 0.944 1
1 417 . 2 1 1 A 36 36 ASP N N 280 127.555 122.085 5.470 1
1 418 . 2 1 1 A 37 37 VAL H H 281 8.635 8.948 -0.313 1
1 419 . 2 1 1 A 37 37 VAL HA H 281 4.938 4.921 0.017 1
1 427 . 2 1 1 A 37 37 VAL CA C 281 61.135 59.840 1.295 1
1 428 . 2 1 1 A 37 37 VAL CB C 281 34.579 34.356 0.223 1
1 431 . 2 1 1 A 38 38 SER H H 282 8.591 8.873 -0.282 1
1 432 . 2 1 1 A 38 38 SER HA H 282 4.518 5.211 -0.693 1
1 435 . 2 1 1 A 38 38 SER CA C 282 57.540 57.492 0.048 1
1 436 . 2 1 1 A 38 38 SER CB C 282 66.530 65.434 1.096 1
1 437 . 2 1 1 A 38 38 SER N N 282 128.264 120.438 7.826 1
1 438 . 2 1 1 A 39 39 TRP H H 283 8.426 8.860 -0.434 1
1 439 . 2 1 1 A 39 39 TRP HA H 283 5.297 5.340 -0.043 1
1 448 . 2 1 1 A 39 39 TRP CA C 283 56.298 57.160 -0.862 1
1 449 . 2 1 1 A 39 39 TRP CB C 283 33.153 31.268 1.885 1
1 455 . 2 1 1 A 39 39 TRP N N 283 127.698 127.751 -0.053 1
1 456 . 2 1 1 A 40 40 TYR H H 284 9.373 9.292 0.081 1
1 457 . 2 1 1 A 40 40 TYR HA H 284 4.903 5.418 -0.515 1
1 464 . 2 1 1 A 40 40 TYR C C 284 174.148 174.587 -0.439 1
1 465 . 2 1 1 A 40 40 TYR CA C 284 56.849 56.255 0.594 1
1 466 . 2 1 1 A 40 40 TYR CB C 284 42.754 43.285 -0.531 1
1 469 . 2 1 1 A 40 40 TYR N N 284 125.437 120.379 5.058 1
1 470 . 2 1 1 A 41 41 LEU H H 285 8.898 9.156 -0.258 1
1 471 . 2 1 1 A 41 41 LEU HA H 285 4.255 4.583 -0.328 1
1 481 . 2 1 1 A 41 41 LEU C C 285 176.606 175.482 1.124 1
1 482 . 2 1 1 A 41 41 LEU CA C 285 53.659 53.939 -0.280 1
1 483 . 2 1 1 A 41 41 LEU CB C 285 43.740 44.705 -0.965 1
1 487 . 2 1 1 A 41 41 LEU N N 285 129.512 122.783 6.729 1
1 488 . 2 1 1 A 42 42 ASN H H 286 9.454 9.423 0.031 1
1 489 . 2 1 1 A 42 42 ASN HA H 286 4.221 4.412 -0.191 1
1 494 . 2 1 1 A 42 42 ASN C C 286 175.692 175.329 0.363 1
1 495 . 2 1 1 A 42 42 ASN CA C 286 54.239 54.329 -0.090 1
1 496 . 2 1 1 A 42 42 ASN CB C 286 37.331 36.900 0.431 1
1 497 . 2 1 1 A 42 42 ASN N N 286 134.097 126.368 7.729 1
1 499 . 2 1 1 A 43 43 GLY H H 287 8.709 8.380 0.329 1
1 500 . 2 1 1 A 43 43 GLY HA2 H 287 3.356 4.063 -0.707 1
1 501 . 2 1 1 A 43 43 GLY HA3 H 287 3.995 4.067 -0.072 1
1 502 . 2 1 1 A 43 43 GLY C C 287 173.786 174.881 -1.095 1
1 503 . 2 1 1 A 43 43 GLY CA C 287 45.450 45.075 0.375 1
1 504 . 2 1 1 A 43 43 GLY N N 287 108.807 105.177 3.630 1
1 505 . 2 1 1 A 44 44 ARG H H 288 7.902 7.575 0.327 1
1 506 . 2 1 1 A 44 44 ARG HA H 288 4.697 4.565 0.132 1
1 514 . 2 1 1 A 44 44 ARG C C 288 175.799 176.371 -0.572 1
1 515 . 2 1 1 A 44 44 ARG CA C 288 54.658 55.366 -0.708 1
1 516 . 2 1 1 A 44 44 ARG CB C 288 32.436 31.500 0.936 1
1 519 . 2 1 1 A 44 44 ARG N N 288 127.837 120.362 7.475 1
1 521 . 2 1 1 A 45 45 THR H H 289 8.539 8.590 -0.051 1
1 522 . 2 1 1 A 45 45 THR HA H 289 3.763 4.246 -0.483 1
1 527 . 2 1 1 A 45 45 THR C C 289 174.692 174.332 0.360 1
1 528 . 2 1 1 A 45 45 THR CA C 289 63.977 61.790 2.187 1
1 529 . 2 1 1 A 45 45 THR CB C 289 69.706 69.846 -0.140 1
1 531 . 2 1 1 A 45 45 THR N N 289 126.100 113.859 12.241 1
1 532 . 2 1 1 A 46 46 VAL H H 290 8.033 8.306 -0.273 1
1 533 . 2 1 1 A 46 46 VAL HA H 290 3.647 4.488 -0.841 1
1 541 . 2 1 1 A 46 46 VAL C C 290 174.672 175.425 -0.753 1
1 542 . 2 1 1 A 46 46 VAL CA C 290 62.458 61.486 0.972 1
1 543 . 2 1 1 A 46 46 VAL CB C 290 32.500 34.414 -1.914 1
1 546 . 2 1 1 A 46 46 VAL N N 290 134.795 121.329 13.466 1
1 547 . 2 1 1 A 47 47 GLN H H 291 8.124 8.617 -0.493 1
1 548 . 2 1 1 A 47 47 GLN HA H 291 4.281 4.351 -0.070 1
1 555 . 2 1 1 A 47 47 GLN C C 291 175.398 175.412 -0.014 1
1 556 . 2 1 1 A 47 47 GLN CA C 291 54.235 55.806 -1.571 1
1 557 . 2 1 1 A 47 47 GLN CB C 291 30.283 29.657 0.626 1
1 559 . 2 1 1 A 47 47 GLN N N 291 132.792 127.150 5.642 1
1 561 . 2 1 1 A 48 48 SER H H 292 8.280 8.628 -0.348 1
1 562 . 2 1 1 A 48 48 SER HA H 292 4.308 4.392 -0.084 1
1 565 . 2 1 1 A 48 48 SER C C 292 174.304 173.578 0.726 1
1 566 . 2 1 1 A 48 48 SER CA C 292 58.222 58.370 -0.148 1
1 567 . 2 1 1 A 48 48 SER CB C 292 63.719 63.988 -0.269 1
1 568 . 2 1 1 A 48 48 SER N N 292 123.481 116.329 7.152 1
1 569 . 2 1 1 A 49 49 ASP H H 293 9.050 8.633 0.417 1
1 570 . 2 1 1 A 49 49 ASP HA H 293 4.482 5.063 -0.581 1
1 573 . 2 1 1 A 49 49 ASP C C 293 176.099 175.674 0.425 1
1 574 . 2 1 1 A 49 49 ASP CA C 293 53.668 53.016 0.652 1
1 575 . 2 1 1 A 49 49 ASP CB C 293 40.100 44.224 -4.124 1
1 576 . 2 1 1 A 49 49 ASP N N 293 131.157 121.846 9.311 1
1 577 . 2 1 1 A 50 50 ASP H H 294 8.324 8.902 -0.578 1
1 578 . 2 1 1 A 50 50 ASP HA H 294 4.167 4.243 -0.076 1
1 581 . 2 1 1 A 50 50 ASP C C 294 176.520 177.649 -1.129 1
1 582 . 2 1 1 A 50 50 ASP CA C 294 57.367 57.644 -0.277 1
1 583 . 2 1 1 A 50 50 ASP CB C 294 40.226 40.523 -0.297 1
1 584 . 2 1 1 A 50 50 ASP N N 294 122.206 124.849 -2.643 1
1 585 . 2 1 1 A 51 51 LEU H H 295 7.749 7.750 -0.001 1
1 586 . 2 1 1 A 51 51 LEU HA H 295 4.281 4.154 0.127 1
1 596 . 2 1 1 A 51 51 LEU C C 295 175.716 176.457 -0.741 1
1 597 . 2 1 1 A 51 51 LEU CA C 295 54.407 55.310 -0.903 1
1 598 . 2 1 1 A 51 51 LEU CB C 295 43.849 42.161 1.688 1
1 602 . 2 1 1 A 51 51 LEU N N 295 121.836 117.964 3.872 1
1 603 . 2 1 1 A 52 52 HIS H H 296 7.548 7.534 0.014 1
1 604 . 2 1 1 A 52 52 HIS HA H 296 5.091 4.824 0.267 1
1 609 . 2 1 1 A 52 52 HIS C C 296 172.683 173.933 -1.250 1
1 610 . 2 1 1 A 52 52 HIS CA C 296 54.900 53.781 1.119 1
1 611 . 2 1 1 A 52 52 HIS CB C 296 28.894 29.236 -0.342 1
1 614 . 2 1 1 A 52 52 HIS N N 296 126.326 115.964 10.362 1
1 615 . 2 1 1 A 53 53 LYS H H 297 8.515 8.544 -0.029 1
1 616 . 2 1 1 A 53 53 LYS HA H 297 4.608 4.279 0.329 1
1 625 . 2 1 1 A 53 53 LYS C C 297 174.797 175.532 -0.735 1
1 626 . 2 1 1 A 53 53 LYS CA C 297 54.303 56.881 -2.578 1
1 627 . 2 1 1 A 53 53 LYS CB C 297 35.705 33.246 2.459 1
1 631 . 2 1 1 A 53 53 LYS N N 297 127.067 122.639 4.428 1
1 632 . 2 1 1 A 54 54 MET H H 298 8.379 8.872 -0.493 1
1 633 . 2 1 1 A 54 54 MET HA H 298 5.091 5.157 -0.066 1
1 641 . 2 1 1 A 54 54 MET CA C 298 55.427 54.654 0.773 1
1 642 . 2 1 1 A 54 54 MET CB C 298 34.100 35.355 -1.255 1
1 645 . 2 1 1 A 54 54 MET N N 298 128.992 121.148 7.844 1
1 646 . 2 1 1 A 55 55 ILE H H 299 8.279 8.678 -0.399 1
1 647 . 2 1 1 A 55 55 ILE HA H 299 4.602 5.212 -0.610 1
1 657 . 2 1 1 A 55 55 ILE CA C 299 59.130 59.186 -0.056 1
1 658 . 2 1 1 A 55 55 ILE CB C 299 42.747 42.445 0.302 1
1 662 . 2 1 1 A 56 56 VAL H H 300 9.227 8.926 0.301 1
1 663 . 2 1 1 A 56 56 VAL HA H 300 4.912 5.025 -0.113 1
1 671 . 2 1 1 A 56 56 VAL CA C 300 59.226 59.964 -0.738 1
1 672 . 2 1 1 A 56 56 VAL CB C 300 36.406 34.893 1.513 1
1 675 . 2 1 1 A 57 57 SER H H 301 8.794 8.767 0.027 1
1 676 . 2 1 1 A 57 57 SER HA H 301 4.575 4.534 0.041 1
1 679 . 2 1 1 A 57 57 SER CA C 301 56.558 58.542 -1.984 1
1 680 . 2 1 1 A 57 57 SER CB C 301 65.617 64.234 1.383 1
1 681 . 2 1 1 A 57 57 SER N N 301 128.893 124.975 3.918 1
1 682 . 2 1 1 A 58 58 GLU HA H 302 4.013 4.080 -0.067 1
1 687 . 2 1 1 A 58 58 GLU CA C 302 58.165 58.952 -0.787 1
1 688 . 2 1 1 A 58 58 GLU CB C 302 29.508 29.129 0.379 1
1 690 . 2 1 1 A 59 59 LYS HA H 303 4.114 4.323 -0.209 1
1 699 . 2 1 1 A 59 59 LYS C C 303 176.755 176.816 -0.061 1
1 700 . 2 1 1 A 59 59 LYS CA C 303 55.913 55.756 0.157 1
1 701 . 2 1 1 A 59 59 LYS CB C 303 31.679 32.715 -1.036 1
1 705 . 2 1 1 A 60 60 GLY H H 304 7.813 8.052 -0.239 1
1 706 . 2 1 1 A 60 60 GLY HA2 H 304 4.037 4.002 0.035 1
1 707 . 2 1 1 A 60 60 GLY HA3 H 304 3.411 4.004 -0.593 1
1 708 . 2 1 1 A 60 60 GLY C C 304 173.480 174.267 -0.787 1
1 709 . 2 1 1 A 60 60 GLY CA C 304 45.955 45.304 0.651 1
1 710 . 2 1 1 A 60 60 GLY N N 304 113.597 106.857 6.740 1
1 711 . 2 1 1 A 61 61 LEU H H 305 7.253 7.922 -0.669 1
1 712 . 2 1 1 A 61 61 LEU HA H 305 4.396 4.592 -0.196 1
1 722 . 2 1 1 A 61 61 LEU CA C 305 54.825 54.282 0.543 1
1 723 . 2 1 1 A 61 61 LEU CB C 305 43.099 42.279 0.820 1
1 727 . 2 1 1 A 61 61 LEU N N 305 128.081 123.483 4.598 1
1 728 . 2 1 1 A 62 62 HIS H H 306 8.294 9.159 -0.865 1
1 733 . 2 1 1 A 62 62 HIS N N 306 130.344 127.979 2.365 1
1 734 . 2 1 1 A 63 63 SER HA H 307 5.980 4.809 1.171 1
1 737 . 2 1 1 A 63 63 SER CA C 307 57.517 58.429 -0.912 1
1 738 . 2 1 1 A 63 63 SER CB C 307 66.760 63.978 2.782 1
1 739 . 2 1 1 A 64 64 LEU H H 308 8.827 8.275 0.552 1
1 740 . 2 1 1 A 64 64 LEU HA H 308 4.657 4.618 0.039 1
1 750 . 2 1 1 A 64 64 LEU C C 308 174.337 174.419 -0.082 1
1 751 . 2 1 1 A 64 64 LEU CA C 308 54.386 53.669 0.717 1
1 752 . 2 1 1 A 64 64 LEU CB C 308 42.678 45.015 -2.337 1
1 756 . 2 1 1 A 65 65 ILE H H 309 9.009 8.483 0.526 1
1 757 . 2 1 1 A 65 65 ILE HA H 309 3.880 4.758 -0.878 1
1 767 . 2 1 1 A 65 65 ILE C C 309 173.963 174.465 -0.502 1
1 768 . 2 1 1 A 65 65 ILE CA C 309 60.296 59.438 0.858 1
1 769 . 2 1 1 A 65 65 ILE CB C 309 40.727 41.282 -0.555 1
1 773 . 2 1 1 A 65 65 ILE N N 309 133.046 127.138 5.908 1
1 774 . 2 1 1 A 66 66 PHE H H 310 8.508 8.754 -0.246 1
1 775 . 2 1 1 A 66 66 PHE HA H 310 4.367 4.913 -0.546 1
1 783 . 2 1 1 A 66 66 PHE C C 310 174.555 175.655 -1.100 1
1 784 . 2 1 1 A 66 66 PHE CA C 310 54.878 55.991 -1.113 1
1 785 . 2 1 1 A 66 66 PHE CB C 310 38.819 40.405 -1.586 1
1 789 . 2 1 1 A 66 66 PHE N N 310 132.294 124.060 8.234 1
1 790 . 2 1 1 A 67 67 GLU H H 311 7.879 8.800 -0.921 1
1 791 . 2 1 1 A 67 67 GLU HA H 311 4.025 4.441 -0.416 1
1 796 . 2 1 1 A 67 67 GLU C C 311 177.819 177.149 0.670 1
1 797 . 2 1 1 A 67 67 GLU CA C 311 59.266 59.196 0.070 1
1 798 . 2 1 1 A 67 67 GLU CB C 311 30.421 30.562 -0.141 1
1 800 . 2 1 1 A 67 67 GLU N N 311 127.092 124.043 3.049 1
1 801 . 2 1 1 A 68 68 VAL H H 312 7.428 7.601 -0.173 1
1 802 . 2 1 1 A 68 68 VAL HA H 312 3.402 4.501 -1.099 1
1 810 . 2 1 1 A 68 68 VAL C C 312 173.921 174.150 -0.229 1
1 811 . 2 1 1 A 68 68 VAL CA C 312 61.444 61.061 0.383 1
1 812 . 2 1 1 A 68 68 VAL CB C 312 34.790 32.867 1.923 1
1 815 . 2 1 1 A 68 68 VAL N N 312 120.315 116.816 3.499 1
1 816 . 2 1 1 A 69 69 VAL H H 313 8.233 8.810 -0.577 1
1 817 . 2 1 1 A 69 69 VAL HA H 313 3.829 4.244 -0.415 1
1 825 . 2 1 1 A 69 69 VAL C C 313 175.123 174.925 0.198 1
1 826 . 2 1 1 A 69 69 VAL CA C 313 63.200 62.830 0.370 1
1 827 . 2 1 1 A 69 69 VAL CB C 313 32.836 32.530 0.306 1
1 830 . 2 1 1 A 69 69 VAL N N 313 132.928 128.895 4.033 1
1 831 . 2 1 1 A 70 70 ARG H H 314 9.259 8.997 0.262 1
1 832 . 2 1 1 A 70 70 ARG HA H 314 4.776 4.721 0.055 1
1 839 . 2 1 1 A 70 70 ARG C C 314 177.491 176.690 0.801 1
1 840 . 2 1 1 A 70 70 ARG CA C 314 53.728 54.024 -0.296 1
1 841 . 2 1 1 A 70 70 ARG CB C 314 34.282 32.912 1.370 1
1 844 . 2 1 1 A 70 70 ARG N N 314 133.209 127.789 5.420 1
1 845 . 2 1 1 A 71 71 ALA H H 315 9.059 8.929 0.130 1
1 846 . 2 1 1 A 71 71 ALA HA H 315 3.676 4.016 -0.340 1
1 850 . 2 1 1 A 71 71 ALA C C 315 180.122 179.731 0.391 1
1 851 . 2 1 1 A 71 71 ALA CA C 315 56.356 55.198 1.158 1
1 852 . 2 1 1 A 71 71 ALA CB C 315 17.923 18.417 -0.494 1
1 853 . 2 1 1 A 71 71 ALA N N 315 131.839 124.444 7.395 1
1 854 . 2 1 1 A 72 72 SER H H 316 7.735 7.989 -0.254 1
1 855 . 2 1 1 A 72 72 SER HA H 316 4.046 4.238 -0.192 1
1 858 . 2 1 1 A 72 72 SER C C 316 175.495 174.759 0.736 1
1 859 . 2 1 1 A 72 72 SER CA C 316 60.037 61.293 -1.256 1
1 860 . 2 1 1 A 72 72 SER CB C 316 62.381 63.123 -0.742 1
1 861 . 2 1 1 A 72 72 SER N N 316 115.841 113.497 2.344 1
1 862 . 2 1 1 A 73 73 ASP H H 317 8.175 7.963 0.212 1
1 863 . 2 1 1 A 73 73 ASP HA H 317 4.644 4.737 -0.093 1
1 866 . 2 1 1 A 73 73 ASP C C 317 176.176 176.270 -0.094 1
1 867 . 2 1 1 A 73 73 ASP CA C 317 55.305 54.992 0.313 1
1 868 . 2 1 1 A 73 73 ASP CB C 317 42.572 41.354 1.218 1
1 869 . 2 1 1 A 73 73 ASP N N 317 126.327 119.154 7.173 1
1 870 . 2 1 1 A 74 74 ALA H H 318 7.339 6.981 0.358 1
1 871 . 2 1 1 A 74 74 ALA HA H 318 4.013 4.269 -0.256 1
1 875 . 2 1 1 A 74 74 ALA C C 318 176.813 177.188 -0.375 1
1 876 . 2 1 1 A 74 74 ALA CA C 318 53.570 53.093 0.477 1
1 877 . 2 1 1 A 74 74 ALA CB C 318 20.548 20.179 0.369 1
1 878 . 2 1 1 A 74 74 ALA N N 318 127.859 121.879 5.980 1
1 879 . 2 1 1 A 75 75 GLY H H 319 8.797 8.824 -0.027 1
1 880 . 2 1 1 A 75 75 GLY HA2 H 319 3.599 4.088 -0.489 1
1 881 . 2 1 1 A 75 75 GLY HA3 H 319 4.239 4.152 0.087 1
1 882 . 2 1 1 A 75 75 GLY C C 319 170.102 171.917 -1.815 1
1 883 . 2 1 1 A 75 75 GLY CA C 319 45.105 44.292 0.813 1
1 884 . 2 1 1 A 75 75 GLY N N 319 114.261 107.364 6.897 1
1 885 . 2 1 1 A 76 76 ALA H H 320 7.621 8.077 -0.456 1
1 886 . 2 1 1 A 76 76 ALA HA H 320 4.521 4.784 -0.263 1
1 890 . 2 1 1 A 76 76 ALA C C 320 176.291 176.687 -0.396 1
1 891 . 2 1 1 A 76 76 ALA CA C 320 51.158 51.509 -0.351 1
1 892 . 2 1 1 A 76 76 ALA CB C 320 19.242 19.676 -0.434 1
1 893 . 2 1 1 A 76 76 ALA N N 320 129.042 122.917 6.125 1
1 894 . 2 1 1 A 77 77 TYR H H 321 9.406 9.077 0.329 1
1 895 . 2 1 1 A 77 77 TYR HA H 321 5.237 5.247 -0.010 1
1 903 . 2 1 1 A 77 77 TYR C C 321 175.676 175.855 -0.179 1
1 904 . 2 1 1 A 77 77 TYR CA C 321 57.779 57.906 -0.127 1
1 905 . 2 1 1 A 77 77 TYR CB C 321 40.623 40.395 0.228 1
1 908 . 2 1 1 A 77 77 TYR N N 321 132.635 123.572 9.063 1
1 909 . 2 1 1 A 78 78 ALA H H 322 9.084 9.030 0.054 1
1 910 . 2 1 1 A 78 78 ALA HA H 322 5.031 5.308 -0.277 1
1 914 . 2 1 1 A 78 78 ALA CA C 322 50.120 51.266 -1.146 1
1 915 . 2 1 1 A 78 78 ALA CB C 322 21.653 24.004 -2.351 1
1 916 . 2 1 1 A 78 78 ALA N N 322 130.291 122.466 7.825 1
1 917 . 2 1 1 A 79 79 CYS H H 323 7.932 8.849 -0.917 1
1 918 . 2 1 1 A 79 79 CYS HA H 323 4.037 4.672 -0.635 1
1 919 . 2 1 1 A 79 79 CYS C C 323 173.727 173.109 0.618 1
1 920 . 2 1 1 A 79 79 CYS CA C 323 56.345 56.933 -0.588 1
1 921 . 2 1 1 A 80 80 VAL H H 324 8.671 8.775 -0.104 1
1 922 . 2 1 1 A 80 80 VAL HA H 324 4.596 4.252 0.344 1
1 930 . 2 1 1 A 80 80 VAL C C 324 174.904 175.066 -0.162 1
1 931 . 2 1 1 A 80 80 VAL CA C 324 60.907 62.279 -1.372 1
1 932 . 2 1 1 A 80 80 VAL CB C 324 34.334 32.018 2.316 1
1 934 . 2 1 1 A 80 80 VAL N N 324 135.079 126.814 8.265 1
1 935 . 2 1 1 A 81 81 ALA H H 325 9.107 8.655 0.452 1
1 936 . 2 1 1 A 81 81 ALA HA H 325 5.220 5.240 -0.020 1
1 940 . 2 1 1 A 81 81 ALA C C 325 175.446 175.835 -0.389 1
1 941 . 2 1 1 A 81 81 ALA CA C 325 49.197 50.388 -1.191 1
1 942 . 2 1 1 A 81 81 ALA CB C 325 22.479 21.795 0.684 1
1 943 . 2 1 1 A 81 81 ALA N N 325 136.369 129.050 7.319 1
1 944 . 2 1 1 A 82 82 LYS H H 326 8.734 8.887 -0.153 1
1 945 . 2 1 1 A 82 82 LYS HA H 326 5.021 5.247 -0.226 1
1 954 . 2 1 1 A 82 82 LYS C C 326 175.054 175.189 -0.135 1
1 955 . 2 1 1 A 82 82 LYS CA C 326 55.451 54.689 0.762 1
1 956 . 2 1 1 A 82 82 LYS CB C 326 37.852 36.541 1.311 1
1 960 . 2 1 1 A 82 82 LYS N N 326 128.038 122.329 5.709 1
1 961 . 2 1 1 A 83 83 ASN H H 327 8.949 8.707 0.242 1
1 962 . 2 1 1 A 83 83 ASN HA H 327 4.624 5.129 -0.505 1
1 967 . 2 1 1 A 83 83 ASN C C 327 176.409 175.211 1.198 1
1 968 . 2 1 1 A 83 83 ASN CA C 327 51.838 51.428 0.410 1
1 969 . 2 1 1 A 83 83 ASN CB C 327 40.927 39.706 1.221 1
1 970 . 2 1 1 A 83 83 ASN N N 327 128.769 121.550 7.219 1
1 972 . 2 1 1 A 84 84 ARG H H 328 8.203 9.135 -0.932 1
1 973 . 2 1 1 A 84 84 ARG HA H 328 3.917 4.061 -0.144 1
1 981 . 2 1 1 A 84 84 ARG C C 328 175.820 175.889 -0.069 1
1 982 . 2 1 1 A 84 84 ARG CA C 328 58.250 58.031 0.219 1
1 983 . 2 1 1 A 84 84 ARG CB C 328 29.985 29.579 0.406 1
1 986 . 2 1 1 A 84 84 ARG N N 328 121.021 117.718 3.303 1
1 988 . 2 1 1 A 85 85 ALA H H 329 7.599 8.066 -0.467 1
1 989 . 2 1 1 A 85 85 ALA HA H 329 4.279 4.491 -0.212 1
1 993 . 2 1 1 A 85 85 ALA C C 329 177.261 176.749 0.512 1
1 994 . 2 1 1 A 85 85 ALA CA C 329 51.905 51.732 0.173 1
1 995 . 2 1 1 A 85 85 ALA CB C 329 19.637 20.592 -0.955 1
1 996 . 2 1 1 A 85 85 ALA N N 329 125.074 121.480 3.594 1
1 997 . 2 1 1 A 86 86 GLY H H 330 7.624 7.117 0.507 1
1 998 . 2 1 1 A 86 86 GLY HA2 H 330 3.806 4.071 -0.265 1
1 999 . 2 1 1 A 86 86 GLY HA3 H 330 4.164 4.076 0.088 1
1 1000 . 2 1 1 A 86 86 GLY C C 330 169.646 170.891 -1.245 1
1 1001 . 2 1 1 A 86 86 GLY CA C 330 46.012 45.842 0.170 1
1 1002 . 2 1 1 A 86 86 GLY N N 330 112.891 103.829 9.062 1
1 1003 . 2 1 1 A 87 87 GLU H H 331 8.213 8.457 -0.244 1
1 1004 . 2 1 1 A 87 87 GLU HA H 331 5.274 5.267 0.007 1
1 1009 . 2 1 1 A 87 87 GLU C C 331 174.418 174.662 -0.244 1
1 1010 . 2 1 1 A 87 87 GLU CA C 331 54.349 55.056 -0.707 1
1 1011 . 2 1 1 A 87 87 GLU CB C 331 34.615 33.555 1.060 1
1 1013 . 2 1 1 A 87 87 GLU N N 331 123.208 120.269 2.939 1
1 1014 . 2 1 1 A 88 88 ALA H H 332 8.897 8.819 0.078 1
1 1015 . 2 1 1 A 88 88 ALA HA H 332 4.569 5.048 -0.479 1
1 1019 . 2 1 1 A 88 88 ALA C C 332 175.121 175.076 0.045 1
1 1020 . 2 1 1 A 88 88 ALA CA C 332 51.592 50.458 1.134 1
1 1021 . 2 1 1 A 88 88 ALA CB C 332 23.324 23.750 -0.426 1
1 1022 . 2 1 1 A 88 88 ALA N N 332 131.757 126.010 5.747 1
1 1023 . 2 1 1 A 89 89 THR H H 333 8.521 8.393 0.128 1
1 1024 . 2 1 1 A 89 89 THR HA H 333 5.661 4.681 0.980 1
1 1029 . 2 1 1 A 89 89 THR C C 333 173.827 172.854 0.973 1
1 1030 . 2 1 1 A 89 89 THR CA C 333 60.601 61.071 -0.470 1
1 1031 . 2 1 1 A 89 89 THR CB C 333 72.140 71.480 0.660 1
1 1033 . 2 1 1 A 89 89 THR N N 333 121.100 114.373 6.727 1
1 1034 . 2 1 1 A 90 90 PHE H H 334 8.603 8.595 0.008 1
1 1035 . 2 1 1 A 90 90 PHE HA H 334 4.624 5.434 -0.810 1
1 1043 . 2 1 1 A 90 90 PHE CA C 334 56.618 57.141 -0.523 1
1 1044 . 2 1 1 A 90 90 PHE CB C 334 42.489 41.939 0.550 1
1 1048 . 2 1 1 A 91 91 THR H H 335 8.174 9.008 -0.834 1
1 1049 . 2 1 1 A 91 91 THR HA H 335 5.445 5.259 0.186 1
1 1054 . 2 1 1 A 91 91 THR CA C 335 60.110 61.569 -1.459 1
1 1055 . 2 1 1 A 91 91 THR CB C 335 71.671 72.294 -0.623 1
1 1057 . 2 1 1 A 92 92 VAL H H 336 9.158 8.913 0.245 1
1 1058 . 2 1 1 A 92 92 VAL HA H 336 4.432 4.936 -0.504 1
1 1066 . 2 1 1 A 92 92 VAL C C 336 171.594 173.337 -1.743 1
1 1067 . 2 1 1 A 92 92 VAL CA C 336 60.914 60.134 0.780 1
1 1068 . 2 1 1 A 92 92 VAL CB C 336 35.760 36.095 -0.335 1
1 1071 . 2 1 1 A 92 92 VAL N N 336 130.220 122.072 8.148 1
1 1072 . 2 1 1 A 93 93 GLN H H 337 8.302 8.588 -0.286 1
1 1073 . 2 1 1 A 93 93 GLN HA H 337 4.756 5.356 -0.600 1
1 1080 . 2 1 1 A 93 93 GLN C C 337 174.009 173.410 0.599 1
1 1081 . 2 1 1 A 93 93 GLN CA C 337 54.672 54.355 0.317 1
1 1082 . 2 1 1 A 93 93 GLN CB C 337 30.071 32.819 -2.748 1
1 1084 . 2 1 1 A 93 93 GLN N N 337 133.412 125.921 7.491 1
1 1086 . 2 1 1 A 94 94 LEU H H 338 8.812 9.157 -0.345 1
1 1087 . 2 1 1 A 94 94 LEU HA H 338 4.836 5.077 -0.241 1
1 1097 . 2 1 1 A 94 94 LEU C C 338 175.099 174.030 1.069 1
1 1098 . 2 1 1 A 94 94 LEU CA C 338 53.725 54.094 -0.369 1
1 1099 . 2 1 1 A 94 94 LEU CB C 338 44.955 45.864 -0.909 1
1 1103 . 2 1 1 A 94 94 LEU N N 338 133.816 126.350 7.466 1
1 1104 . 2 1 1 A 95 95 ASP H H 339 8.747 9.205 -0.458 1
1 1105 . 2 1 1 A 95 95 ASP HA H 339 4.871 4.987 -0.116 1
1 1108 . 2 1 1 A 95 95 ASP C C 339 174.295 174.733 -0.438 1
1 1109 . 2 1 1 A 95 95 ASP CA C 339 53.311 52.629 0.682 1
1 1110 . 2 1 1 A 95 95 ASP CB C 339 42.895 40.996 1.899 1
1 1111 . 2 1 1 A 95 95 ASP N N 339 134.770 128.833 5.937 1
1 1112 . 2 1 1 A 96 96 VAL H H 340 7.745 7.834 -0.089 1
1 1113 . 2 1 1 A 96 96 VAL HA H 340 4.653 4.030 0.623 1
1 1121 . 2 1 1 A 96 96 VAL C C 340 175.494 175.590 -0.096 1
1 1122 . 2 1 1 A 96 96 VAL CA C 340 60.722 63.078 -2.356 1
1 1123 . 2 1 1 A 96 96 VAL CB C 340 33.852 31.479 2.373 1
1 1126 . 2 1 1 A 96 96 VAL N N 340 128.328 124.754 3.574 1
1 1127 . 2 1 1 A 97 97 LEU H H 341 8.524 8.865 -0.341 1
1 1128 . 2 1 1 A 97 97 LEU HA H 341 4.243 4.594 -0.351 1
1 1138 . 2 1 1 A 97 97 LEU C C 341 176.052 176.440 -0.388 1
1 1139 . 2 1 1 A 97 97 LEU CA C 341 54.086 54.355 -0.269 1
1 1140 . 2 1 1 A 97 97 LEU CB C 341 41.446 41.042 0.404 1
1 1144 . 2 1 1 A 97 97 LEU N N 341 136.554 129.299 7.255 1
1 1145 . 2 1 1 A 98 98 ALA H H 342 8.344 8.599 -0.255 1
1 1146 . 2 1 1 A 98 98 ALA HA H 342 4.227 4.412 -0.185 1
1 1150 . 2 1 1 A 98 98 ALA C C 342 177.569 178.874 -1.305 1
1 1151 . 2 1 1 A 98 98 ALA CA C 342 51.964 52.436 -0.472 1
1 1152 . 2 1 1 A 98 98 ALA CB C 342 19.976 19.131 0.845 1
1 1153 . 2 1 1 A 98 98 ALA N N 342 134.558 128.363 6.195 1
1 1154 . 2 1 1 A 99 99 LYS H H 343 8.552 8.917 -0.365 1
1 1155 . 2 1 1 A 99 99 LYS HA H 343 4.119 4.078 0.041 1
1 1164 . 2 1 1 A 99 99 LYS C C 343 175.859 178.400 -2.541 1
1 1165 . 2 1 1 A 99 99 LYS CA C 343 56.453 58.451 -1.998 1
1 1166 . 2 1 1 A 99 99 LYS CB C 343 33.257 31.917 1.340 1
1 1170 . 2 1 1 A 99 99 LYS N N 343 128.906 121.180 7.726 1
1 4 . 3 1 1 A 2 2 ALA HA H -3 4.167 4.371 -0.204 1
1 8 . 3 1 1 A 2 2 ALA C C -3 177.254 177.254 0.000 1
1 9 . 3 1 1 A 2 2 ALA CA C -3 52.427 52.108 0.319 1
1 10 . 3 1 1 A 2 2 ALA CB C -3 19.740 19.807 -0.067 1
1 11 . 3 1 1 A 3 3 MET H H -2 8.135 8.779 -0.644 1
1 12 . 3 1 1 A 3 3 MET HA H -2 4.351 5.211 -0.860 1
1 20 . 3 1 1 A 3 3 MET C C -2 176.007 175.051 0.956 1
1 21 . 3 1 1 A 3 3 MET CA C -2 55.444 53.576 1.868 1
1 22 . 3 1 1 A 3 3 MET CB C -2 34.277 36.637 -2.360 1
1 25 . 3 1 1 A 3 3 MET N N -2 125.628 115.325 10.303 1
1 43 . 3 1 1 A 6 6 PRO HA H 250 4.591 4.799 -0.208 1
1 50 . 3 1 1 A 6 6 PRO C C 250 175.444 176.394 -0.950 1
1 51 . 3 1 1 A 6 6 PRO CA C 250 61.829 62.789 -0.960 1
1 52 . 3 1 1 A 6 6 PRO CB C 250 32.464 32.302 0.162 1
1 55 . 3 1 1 A 7 7 ARG H H 251 7.588 8.705 -1.117 1
1 56 . 3 1 1 A 7 7 ARG HA H 251 4.078 4.921 -0.843 1
1 64 . 3 1 1 A 7 7 ARG C C 251 175.065 175.923 -0.858 1
1 65 . 3 1 1 A 7 7 ARG CA C 251 54.552 54.633 -0.081 1
1 66 . 3 1 1 A 7 7 ARG CB C 251 33.587 34.136 -0.549 1
1 69 . 3 1 1 A 7 7 ARG N N 251 124.900 121.650 3.250 1
1 71 . 3 1 1 A 8 8 PHE H H 252 8.893 9.196 -0.303 1
1 72 . 3 1 1 A 8 8 PHE HA H 252 4.708 4.712 -0.004 1
1 80 . 3 1 1 A 8 8 PHE CA C 252 59.744 58.519 1.225 1
1 81 . 3 1 1 A 8 8 PHE CB C 252 39.263 39.037 0.226 1
1 85 . 3 1 1 A 8 8 PHE N N 252 128.828 121.058 7.770 1
1 86 . 3 1 1 A 9 9 ILE H H 253 8.223 8.596 -0.373 1
1 87 . 3 1 1 A 9 9 ILE HA H 253 4.090 4.293 -0.203 1
1 97 . 3 1 1 A 9 9 ILE C C 253 175.698 176.098 -0.400 1
1 98 . 3 1 1 A 9 9 ILE CA C 253 61.230 62.112 -0.882 1
1 99 . 3 1 1 A 9 9 ILE CB C 253 39.165 39.057 0.108 1
1 103 . 3 1 1 A 9 9 ILE N N 253 128.239 125.262 2.977 1
1 104 . 3 1 1 A 10 10 GLN H H 254 7.437 7.683 -0.246 1
1 105 . 3 1 1 A 10 10 GLN HA H 254 4.450 4.814 -0.364 1
1 112 . 3 1 1 A 10 10 GLN C C 254 174.149 173.981 0.168 1
1 113 . 3 1 1 A 10 10 GLN CA C 254 56.197 55.369 0.828 1
1 114 . 3 1 1 A 10 10 GLN CB C 254 32.367 32.240 0.127 1
1 116 . 3 1 1 A 10 10 GLN N N 254 127.323 118.281 9.042 1
1 118 . 3 1 1 A 11 11 VAL H H 255 8.283 8.684 -0.401 1
1 119 . 3 1 1 A 11 11 VAL HA H 255 4.185 4.453 -0.268 1
1 127 . 3 1 1 A 11 11 VAL CA C 255 57.931 57.879 0.052 1
1 128 . 3 1 1 A 11 11 VAL CB C 255 33.230 34.502 -1.272 1
1 131 . 3 1 1 A 11 11 VAL N N 255 126.734 119.408 7.326 1
1 132 . 3 1 1 A 12 12 PRO HA H 256 4.538 4.393 0.145 1
1 139 . 3 1 1 A 12 12 PRO CA C 256 62.209 62.185 0.024 1
1 140 . 3 1 1 A 12 12 PRO CB C 256 31.724 32.138 -0.414 1
1 143 . 3 1 1 A 13 13 GLU H H 257 7.870 8.455 -0.585 1
1 144 . 3 1 1 A 13 13 GLU HA H 257 4.257 4.399 -0.142 1
1 149 . 3 1 1 A 13 13 GLU CA C 257 54.764 56.466 -1.702 1
1 150 . 3 1 1 A 13 13 GLU CB C 257 31.690 30.529 1.161 1
1 152 . 3 1 1 A 13 13 GLU N N 257 124.369 120.574 3.795 1
1 153 . 3 1 1 A 14 14 ASN H H 258 8.133 8.612 -0.479 1
1 154 . 3 1 1 A 14 14 ASN HA H 258 4.639 4.875 -0.236 1
1 159 . 3 1 1 A 14 14 ASN CA C 258 54.285 53.734 0.551 1
1 160 . 3 1 1 A 14 14 ASN CB C 258 38.023 38.356 -0.333 1
1 161 . 3 1 1 A 14 14 ASN N N 258 123.151 120.552 2.599 1
1 163 . 3 1 1 A 15 15 MET H H 259 8.295 8.320 -0.025 1
1 164 . 3 1 1 A 15 15 MET HA H 259 4.695 4.605 0.090 1
1 172 . 3 1 1 A 15 15 MET C C 259 174.675 175.598 -0.923 1
1 173 . 3 1 1 A 15 15 MET CA C 259 55.153 54.875 0.278 1
1 174 . 3 1 1 A 15 15 MET CB C 259 38.064 32.858 5.206 1
1 177 . 3 1 1 A 15 15 MET N N 259 125.442 124.303 1.139 1
1 178 . 3 1 1 A 16 16 SER H H 260 8.332 8.681 -0.349 1
1 179 . 3 1 1 A 16 16 SER HA H 260 5.261 5.494 -0.233 1
1 182 . 3 1 1 A 16 16 SER C C 260 172.889 173.016 -0.127 1
1 183 . 3 1 1 A 16 16 SER CA C 260 56.748 56.729 0.019 1
1 184 . 3 1 1 A 16 16 SER CB C 260 64.170 64.733 -0.563 1
1 185 . 3 1 1 A 16 16 SER N N 260 125.417 114.423 10.994 1
1 186 . 3 1 1 A 17 17 ILE H H 261 8.394 8.895 -0.501 1
1 187 . 3 1 1 A 17 17 ILE HA H 261 4.366 4.545 -0.179 1
1 197 . 3 1 1 A 17 17 ILE C C 261 173.465 175.433 -1.968 1
1 198 . 3 1 1 A 17 17 ILE CA C 261 57.461 60.373 -2.912 1
1 199 . 3 1 1 A 17 17 ILE CB C 261 41.882 40.546 1.336 1
1 203 . 3 1 1 A 17 17 ILE N N 261 131.680 126.538 5.142 1
1 204 . 3 1 1 A 18 18 ASP H H 262 8.043 8.760 -0.717 1
1 205 . 3 1 1 A 18 18 ASP HA H 262 4.498 4.494 0.004 1
1 208 . 3 1 1 A 18 18 ASP C C 262 174.970 175.865 -0.895 1
1 209 . 3 1 1 A 18 18 ASP CA C 262 54.962 54.662 0.300 1
1 210 . 3 1 1 A 18 18 ASP CB C 262 41.518 41.276 0.242 1
1 211 . 3 1 1 A 18 18 ASP N N 262 132.455 128.915 3.540 1
1 212 . 3 1 1 A 19 19 GLU H H 263 8.058 8.793 -0.735 1
1 213 . 3 1 1 A 19 19 GLU HA H 263 3.322 3.916 -0.594 1
1 218 . 3 1 1 A 19 19 GLU C C 263 176.656 177.342 -0.686 1
1 219 . 3 1 1 A 19 19 GLU CA C 263 58.351 58.330 0.021 1
1 220 . 3 1 1 A 19 19 GLU CB C 263 29.716 29.343 0.373 1
1 222 . 3 1 1 A 19 19 GLU N N 263 126.424 124.734 1.690 1
1 223 . 3 1 1 A 20 20 GLY H H 264 9.131 9.055 0.076 1
1 224 . 3 1 1 A 20 20 GLY HA2 H 264 3.366 3.991 -0.625 1
1 225 . 3 1 1 A 20 20 GLY HA3 H 264 4.196 3.993 0.203 1
1 226 . 3 1 1 A 20 20 GLY C C 264 174.582 174.482 0.100 1
1 227 . 3 1 1 A 20 20 GLY CA C 264 44.837 44.987 -0.150 1
1 228 . 3 1 1 A 20 20 GLY N N 264 119.124 115.187 3.937 1
1 229 . 3 1 1 A 21 21 ARG H H 265 7.192 7.303 -0.111 1
1 230 . 3 1 1 A 21 21 ARG HA H 265 4.377 4.411 -0.034 1
1 238 . 3 1 1 A 21 21 ARG C C 265 174.091 175.804 -1.713 1
1 239 . 3 1 1 A 21 21 ARG CA C 265 55.263 55.905 -0.642 1
1 240 . 3 1 1 A 21 21 ARG CB C 265 31.467 31.605 -0.138 1
1 243 . 3 1 1 A 21 21 ARG N N 265 126.182 120.390 5.792 1
1 245 . 3 1 1 A 22 22 PHE H H 266 7.699 8.875 -1.176 1
1 246 . 3 1 1 A 22 22 PHE HA H 266 4.688 4.975 -0.287 1
1 254 . 3 1 1 A 22 22 PHE C C 266 175.911 174.782 1.129 1
1 255 . 3 1 1 A 22 22 PHE CA C 266 57.132 59.144 -2.012 1
1 256 . 3 1 1 A 22 22 PHE CB C 266 41.270 40.099 1.171 1
1 260 . 3 1 1 A 22 22 PHE N N 266 127.111 123.005 4.106 1
1 261 . 3 1 1 A 23 23 CYS H H 267 8.140 8.268 -0.128 1
1 262 . 3 1 1 A 23 23 CYS HA H 267 4.282 5.033 -0.751 1
1 265 . 3 1 1 A 23 23 CYS C C 267 170.233 172.642 -2.409 1
1 266 . 3 1 1 A 23 23 CYS CA C 267 57.626 56.272 1.354 1
1 267 . 3 1 1 A 23 23 CYS CB C 267 30.411 32.079 -1.668 1
1 268 . 3 1 1 A 23 23 CYS N N 267 130.194 124.359 5.835 1
1 269 . 3 1 1 A 24 24 ARG H H 268 8.160 8.813 -0.653 1
1 270 . 3 1 1 A 24 24 ARG HA H 268 5.167 5.109 0.058 1
1 278 . 3 1 1 A 24 24 ARG CA C 268 53.910 54.350 -0.440 1
1 279 . 3 1 1 A 24 24 ARG CB C 268 35.114 33.771 1.343 1
1 283 . 3 1 1 A 25 25 MET H H 269 8.839 8.794 0.045 1
1 284 . 3 1 1 A 25 25 MET HA H 269 4.518 5.096 -0.578 1
1 292 . 3 1 1 A 25 25 MET C C 269 174.090 175.059 -0.969 1
1 293 . 3 1 1 A 25 25 MET CA C 269 54.960 54.226 0.734 1
1 294 . 3 1 1 A 25 25 MET CB C 269 35.645 34.291 1.354 1
1 297 . 3 1 1 A 25 25 MET N N 269 127.757 122.136 5.621 1
1 298 . 3 1 1 A 26 26 ASP H H 270 8.473 8.988 -0.515 1
1 299 . 3 1 1 A 26 26 ASP HA H 270 5.772 5.495 0.277 1
1 302 . 3 1 1 A 26 26 ASP CA C 270 53.157 52.922 0.235 1
1 303 . 3 1 1 A 26 26 ASP CB C 270 43.595 42.970 0.625 1
1 304 . 3 1 1 A 26 26 ASP N N 270 129.880 117.966 11.914 1
1 305 . 3 1 1 A 27 27 PHE H H 271 9.180 9.493 -0.313 1
1 306 . 3 1 1 A 27 27 PHE HA H 271 5.014 5.039 -0.025 1
1 314 . 3 1 1 A 27 27 PHE CA C 271 55.904 56.211 -0.307 1
1 317 . 3 1 1 A 27 27 PHE N N 271 123.116 123.197 -0.081 1
1 318 . 3 1 1 A 28 28 LYS H H 272 9.221 8.688 0.533 1
1 327 . 3 1 1 A 28 28 LYS CA C 272 59.294 56.996 2.298 1
1 328 . 3 1 1 A 28 28 LYS CB C 272 38.090 32.944 5.146 1
1 332 . 3 1 1 A 28 28 LYS N N 272 131.321 124.708 6.613 1
1 333 . 3 1 1 A 29 29 VAL H H 273 8.304 8.569 -0.265 1
1 334 . 3 1 1 A 29 29 VAL HA H 273 4.331 4.756 -0.425 1
1 342 . 3 1 1 A 29 29 VAL C C 273 175.240 173.421 1.819 1
1 343 . 3 1 1 A 29 29 VAL CA C 273 61.020 59.570 1.450 1
1 344 . 3 1 1 A 29 29 VAL CB C 273 33.889 35.672 -1.783 1
1 347 . 3 1 1 A 30 30 SER H H 274 8.545 8.625 -0.080 1
1 348 . 3 1 1 A 30 30 SER HA H 274 4.647 5.040 -0.393 1
1 351 . 3 1 1 A 30 30 SER C C 274 172.993 172.916 0.077 1
1 352 . 3 1 1 A 30 30 SER CA C 274 56.505 56.445 0.060 1
1 353 . 3 1 1 A 30 30 SER CB C 274 65.805 65.614 0.191 1
1 354 . 3 1 1 A 30 30 SER N N 274 129.796 121.541 8.255 1
1 355 . 3 1 1 A 31 31 GLY H H 275 7.712 8.503 -0.791 1
1 356 . 3 1 1 A 31 31 GLY HA2 H 275 3.220 4.147 -0.927 1
1 357 . 3 1 1 A 31 31 GLY HA3 H 275 3.649 4.149 -0.500 1
1 358 . 3 1 1 A 31 31 GLY C C 275 170.984 171.488 -0.504 1
1 359 . 3 1 1 A 31 31 GLY CA C 275 45.099 44.043 1.056 1
1 360 . 3 1 1 A 31 31 GLY N N 275 115.009 111.239 3.770 1
1 361 . 3 1 1 A 32 32 LEU H H 276 7.668 8.309 -0.641 1
1 362 . 3 1 1 A 32 32 LEU HA H 276 4.301 4.853 -0.552 1
1 372 . 3 1 1 A 32 32 LEU C C 276 173.812 174.557 -0.745 1
1 373 . 3 1 1 A 32 32 LEU CA C 276 52.370 51.778 0.592 1
1 374 . 3 1 1 A 32 32 LEU CB C 276 45.554 46.025 -0.471 1
1 378 . 3 1 1 A 32 32 LEU N N 276 129.727 121.120 8.607 1
1 379 . 3 1 1 A 33 33 PRO HA H 277 4.416 4.624 -0.208 1
1 386 . 3 1 1 A 33 33 PRO CA C 277 62.576 62.334 0.242 1
1 387 . 3 1 1 A 33 33 PRO CB C 277 35.012 32.696 2.316 1
1 390 . 3 1 1 A 34 34 ALA H H 278 8.598 8.321 0.277 1
1 391 . 3 1 1 A 34 34 ALA HA H 278 4.153 4.306 -0.153 1
1 395 . 3 1 1 A 34 34 ALA CA C 278 50.822 50.698 0.124 1
1 396 . 3 1 1 A 34 34 ALA CB C 278 17.462 18.975 -1.513 1
1 397 . 3 1 1 A 34 34 ALA N N 278 131.518 124.350 7.168 1
1 398 . 3 1 1 A 35 35 PRO HA H 279 4.206 4.590 -0.384 1
1 405 . 3 1 1 A 35 35 PRO C C 279 175.701 175.871 -0.170 1
1 406 . 3 1 1 A 35 35 PRO CA C 279 62.628 62.519 0.109 1
1 407 . 3 1 1 A 35 35 PRO CB C 279 33.069 32.215 0.854 1
1 410 . 3 1 1 A 36 36 ASP H H 280 8.621 8.779 -0.158 1
1 411 . 3 1 1 A 36 36 ASP HA H 280 4.659 4.631 0.028 1
1 414 . 3 1 1 A 36 36 ASP C C 280 176.057 175.073 0.984 1
1 415 . 3 1 1 A 36 36 ASP CA C 280 54.307 53.090 1.217 1
1 416 . 3 1 1 A 36 36 ASP CB C 280 42.741 39.533 3.208 1
1 417 . 3 1 1 A 36 36 ASP N N 280 127.555 122.119 5.436 1
1 418 . 3 1 1 A 37 37 VAL H H 281 8.635 7.859 0.776 1
1 419 . 3 1 1 A 37 37 VAL HA H 281 4.938 4.105 0.833 1
1 427 . 3 1 1 A 37 37 VAL CA C 281 61.135 62.117 -0.982 1
1 428 . 3 1 1 A 37 37 VAL CB C 281 34.579 31.974 2.605 1
1 431 . 3 1 1 A 38 38 SER H H 282 8.591 9.184 -0.593 1
1 432 . 3 1 1 A 38 38 SER HA H 282 4.518 5.202 -0.684 1
1 435 . 3 1 1 A 38 38 SER CA C 282 57.540 57.443 0.097 1
1 436 . 3 1 1 A 38 38 SER CB C 282 66.530 65.219 1.311 1
1 437 . 3 1 1 A 38 38 SER N N 282 128.264 120.931 7.333 1
1 438 . 3 1 1 A 39 39 TRP H H 283 8.426 8.898 -0.472 1
1 439 . 3 1 1 A 39 39 TRP HA H 283 5.297 5.385 -0.088 1
1 448 . 3 1 1 A 39 39 TRP CA C 283 56.298 56.662 -0.364 1
1 449 . 3 1 1 A 39 39 TRP CB C 283 33.153 31.413 1.740 1
1 455 . 3 1 1 A 39 39 TRP N N 283 127.698 128.131 -0.433 1
1 456 . 3 1 1 A 40 40 TYR H H 284 9.373 9.309 0.064 1
1 457 . 3 1 1 A 40 40 TYR HA H 284 4.903 5.413 -0.510 1
1 464 . 3 1 1 A 40 40 TYR C C 284 174.148 174.620 -0.472 1
1 465 . 3 1 1 A 40 40 TYR CA C 284 56.849 56.238 0.611 1
1 466 . 3 1 1 A 40 40 TYR CB C 284 42.754 43.264 -0.510 1
1 469 . 3 1 1 A 40 40 TYR N N 284 125.437 120.419 5.018 1
1 470 . 3 1 1 A 41 41 LEU H H 285 8.898 9.224 -0.326 1
1 471 . 3 1 1 A 41 41 LEU HA H 285 4.255 4.591 -0.336 1
1 481 . 3 1 1 A 41 41 LEU C C 285 176.606 175.445 1.161 1
1 482 . 3 1 1 A 41 41 LEU CA C 285 53.659 54.065 -0.406 1
1 483 . 3 1 1 A 41 41 LEU CB C 285 43.740 44.881 -1.141 1
1 487 . 3 1 1 A 41 41 LEU N N 285 129.512 122.706 6.806 1
1 488 . 3 1 1 A 42 42 ASN H H 286 9.454 9.347 0.107 1
1 489 . 3 1 1 A 42 42 ASN HA H 286 4.221 4.416 -0.195 1
1 494 . 3 1 1 A 42 42 ASN C C 286 175.692 175.275 0.417 1
1 495 . 3 1 1 A 42 42 ASN CA C 286 54.239 54.400 -0.161 1
1 496 . 3 1 1 A 42 42 ASN CB C 286 37.331 37.010 0.321 1
1 497 . 3 1 1 A 42 42 ASN N N 286 134.097 126.022 8.075 1
1 499 . 3 1 1 A 43 43 GLY H H 287 8.709 8.411 0.298 1
1 500 . 3 1 1 A 43 43 GLY HA2 H 287 3.356 3.923 -0.567 1
1 501 . 3 1 1 A 43 43 GLY HA3 H 287 3.995 3.930 0.065 1
1 502 . 3 1 1 A 43 43 GLY C C 287 173.786 173.773 0.013 1
1 503 . 3 1 1 A 43 43 GLY CA C 287 45.450 45.251 0.199 1
1 504 . 3 1 1 A 43 43 GLY N N 287 108.807 104.906 3.901 1
1 505 . 3 1 1 A 44 44 ARG H H 288 7.902 7.974 -0.072 1
1 506 . 3 1 1 A 44 44 ARG HA H 288 4.697 4.860 -0.163 1
1 514 . 3 1 1 A 44 44 ARG C C 288 175.799 175.807 -0.008 1
1 515 . 3 1 1 A 44 44 ARG CA C 288 54.658 54.108 0.550 1
1 516 . 3 1 1 A 44 44 ARG CB C 288 32.436 32.858 -0.422 1
1 519 . 3 1 1 A 44 44 ARG N N 288 127.837 119.932 7.905 1
1 521 . 3 1 1 A 45 45 THR H H 289 8.539 8.618 -0.079 1
1 522 . 3 1 1 A 45 45 THR HA H 289 3.763 4.182 -0.419 1
1 527 . 3 1 1 A 45 45 THR C C 289 174.692 174.433 0.259 1
1 528 . 3 1 1 A 45 45 THR CA C 289 63.977 61.816 2.161 1
1 529 . 3 1 1 A 45 45 THR CB C 289 69.706 69.798 -0.092 1
1 531 . 3 1 1 A 45 45 THR N N 289 126.100 114.091 12.009 1
1 532 . 3 1 1 A 46 46 VAL H H 290 8.033 8.301 -0.268 1
1 533 . 3 1 1 A 46 46 VAL HA H 290 3.647 4.560 -0.913 1
1 541 . 3 1 1 A 46 46 VAL C C 290 174.672 175.339 -0.667 1
1 542 . 3 1 1 A 46 46 VAL CA C 290 62.458 61.322 1.136 1
1 543 . 3 1 1 A 46 46 VAL CB C 290 32.500 34.386 -1.886 1
1 546 . 3 1 1 A 46 46 VAL N N 290 134.795 121.286 13.509 1
1 547 . 3 1 1 A 47 47 GLN H H 291 8.124 8.610 -0.486 1
1 548 . 3 1 1 A 47 47 GLN HA H 291 4.281 4.315 -0.034 1
1 555 . 3 1 1 A 47 47 GLN C C 291 175.398 175.549 -0.151 1
1 556 . 3 1 1 A 47 47 GLN CA C 291 54.235 56.152 -1.917 1
1 557 . 3 1 1 A 47 47 GLN CB C 291 30.283 29.246 1.037 1
1 559 . 3 1 1 A 47 47 GLN N N 291 132.792 127.206 5.586 1
1 561 . 3 1 1 A 48 48 SER H H 292 8.280 8.550 -0.270 1
1 562 . 3 1 1 A 48 48 SER HA H 292 4.308 4.397 -0.089 1
1 565 . 3 1 1 A 48 48 SER C C 292 174.304 173.555 0.749 1
1 566 . 3 1 1 A 48 48 SER CA C 292 58.222 58.359 -0.137 1
1 567 . 3 1 1 A 48 48 SER CB C 292 63.719 64.019 -0.300 1
1 568 . 3 1 1 A 48 48 SER N N 292 123.481 116.555 6.926 1
1 569 . 3 1 1 A 49 49 ASP H H 293 9.050 8.528 0.522 1
1 570 . 3 1 1 A 49 49 ASP HA H 293 4.482 5.042 -0.560 1
1 573 . 3 1 1 A 49 49 ASP C C 293 176.099 175.044 1.055 1
1 574 . 3 1 1 A 49 49 ASP CA C 293 53.668 52.988 0.680 1
1 575 . 3 1 1 A 49 49 ASP CB C 293 40.100 44.278 -4.178 1
1 576 . 3 1 1 A 49 49 ASP N N 293 131.157 122.080 9.077 1
1 577 . 3 1 1 A 50 50 ASP H H 294 8.324 8.942 -0.618 1
1 578 . 3 1 1 A 50 50 ASP HA H 294 4.167 4.285 -0.118 1
1 581 . 3 1 1 A 50 50 ASP C C 294 176.520 178.213 -1.693 1
1 582 . 3 1 1 A 50 50 ASP CA C 294 57.367 57.039 0.328 1
1 583 . 3 1 1 A 50 50 ASP CB C 294 40.226 40.569 -0.343 1
1 584 . 3 1 1 A 50 50 ASP N N 294 122.206 123.180 -0.974 1
1 585 . 3 1 1 A 51 51 LEU H H 295 7.749 7.656 0.093 1
1 586 . 3 1 1 A 51 51 LEU HA H 295 4.281 4.049 0.232 1
1 596 . 3 1 1 A 51 51 LEU C C 295 175.716 176.494 -0.778 1
1 597 . 3 1 1 A 51 51 LEU CA C 295 54.407 56.207 -1.800 1
1 598 . 3 1 1 A 51 51 LEU CB C 295 43.849 42.268 1.581 1
1 602 . 3 1 1 A 51 51 LEU N N 295 121.836 119.563 2.273 1
1 603 . 3 1 1 A 52 52 HIS H H 296 7.548 7.511 0.037 1
1 604 . 3 1 1 A 52 52 HIS HA H 296 5.091 4.781 0.310 1
1 609 . 3 1 1 A 52 52 HIS C C 296 172.683 173.843 -1.160 1
1 610 . 3 1 1 A 52 52 HIS CA C 296 54.900 53.741 1.159 1
1 611 . 3 1 1 A 52 52 HIS CB C 296 28.894 29.295 -0.401 1
1 614 . 3 1 1 A 52 52 HIS N N 296 126.326 114.652 11.674 1
1 615 . 3 1 1 A 53 53 LYS H H 297 8.515 8.502 0.013 1
1 616 . 3 1 1 A 53 53 LYS HA H 297 4.608 4.215 0.393 1
1 625 . 3 1 1 A 53 53 LYS C C 297 174.797 175.797 -1.000 1
1 626 . 3 1 1 A 53 53 LYS CA C 297 54.303 56.845 -2.542 1
1 627 . 3 1 1 A 53 53 LYS CB C 297 35.705 33.119 2.586 1
1 631 . 3 1 1 A 53 53 LYS N N 297 127.067 122.145 4.922 1
1 632 . 3 1 1 A 54 54 MET H H 298 8.379 8.868 -0.489 1
1 633 . 3 1 1 A 54 54 MET HA H 298 5.091 5.137 -0.046 1
1 641 . 3 1 1 A 54 54 MET CA C 298 55.427 54.584 0.843 1
1 642 . 3 1 1 A 54 54 MET CB C 298 34.100 35.080 -0.980 1
1 645 . 3 1 1 A 54 54 MET N N 298 128.992 121.103 7.889 1
1 646 . 3 1 1 A 55 55 ILE H H 299 8.279 8.696 -0.417 1
1 647 . 3 1 1 A 55 55 ILE HA H 299 4.602 5.283 -0.681 1
1 657 . 3 1 1 A 55 55 ILE CA C 299 59.130 59.214 -0.084 1
1 658 . 3 1 1 A 55 55 ILE CB C 299 42.747 42.365 0.382 1
1 662 . 3 1 1 A 56 56 VAL H H 300 9.227 8.778 0.449 1
1 663 . 3 1 1 A 56 56 VAL HA H 300 4.912 5.348 -0.436 1
1 671 . 3 1 1 A 56 56 VAL CA C 300 59.226 59.061 0.165 1
1 672 . 3 1 1 A 56 56 VAL CB C 300 36.406 35.917 0.489 1
1 675 . 3 1 1 A 57 57 SER H H 301 8.794 8.646 0.148 1
1 676 . 3 1 1 A 57 57 SER HA H 301 4.575 5.187 -0.612 1
1 679 . 3 1 1 A 57 57 SER CA C 301 56.558 56.350 0.208 1
1 680 . 3 1 1 A 57 57 SER CB C 301 65.617 65.476 0.141 1
1 681 . 3 1 1 A 57 57 SER N N 301 128.893 116.380 12.513 1
1 682 . 3 1 1 A 58 58 GLU HA H 302 4.013 4.107 -0.094 1
1 687 . 3 1 1 A 58 58 GLU CA C 302 58.165 58.910 -0.745 1
1 688 . 3 1 1 A 58 58 GLU CB C 302 29.508 29.072 0.436 1
1 690 . 3 1 1 A 59 59 LYS HA H 303 4.114 4.304 -0.190 1
1 699 . 3 1 1 A 59 59 LYS C C 303 176.755 176.845 -0.090 1
1 700 . 3 1 1 A 59 59 LYS CA C 303 55.913 55.809 0.104 1
1 701 . 3 1 1 A 59 59 LYS CB C 303 31.679 32.733 -1.054 1
1 705 . 3 1 1 A 60 60 GLY H H 304 7.813 8.306 -0.493 1
1 706 . 3 1 1 A 60 60 GLY HA2 H 304 4.037 3.959 0.078 1
1 707 . 3 1 1 A 60 60 GLY HA3 H 304 3.411 3.960 -0.549 1
1 708 . 3 1 1 A 60 60 GLY C C 304 173.480 173.759 -0.279 1
1 709 . 3 1 1 A 60 60 GLY CA C 304 45.955 46.594 -0.639 1
1 710 . 3 1 1 A 60 60 GLY N N 304 113.597 108.235 5.362 1
1 711 . 3 1 1 A 61 61 LEU H H 305 7.253 7.255 -0.002 1
1 712 . 3 1 1 A 61 61 LEU HA H 305 4.396 5.108 -0.712 1
1 722 . 3 1 1 A 61 61 LEU CA C 305 54.825 53.673 1.152 1
1 723 . 3 1 1 A 61 61 LEU CB C 305 43.099 46.393 -3.294 1
1 727 . 3 1 1 A 61 61 LEU N N 305 128.081 120.127 7.954 1
1 728 . 3 1 1 A 62 62 HIS H H 306 8.294 9.058 -0.764 1
1 733 . 3 1 1 A 62 62 HIS N N 306 130.344 126.082 4.262 1
1 734 . 3 1 1 A 63 63 SER HA H 307 5.980 5.428 0.552 1
1 737 . 3 1 1 A 63 63 SER CA C 307 57.517 57.007 0.510 1
1 738 . 3 1 1 A 63 63 SER CB C 307 66.760 66.321 0.439 1
1 739 . 3 1 1 A 64 64 LEU H H 308 8.827 8.029 0.798 1
1 740 . 3 1 1 A 64 64 LEU HA H 308 4.657 4.444 0.213 1
1 750 . 3 1 1 A 64 64 LEU C C 308 174.337 174.817 -0.480 1
1 751 . 3 1 1 A 64 64 LEU CA C 308 54.386 53.781 0.605 1
1 752 . 3 1 1 A 64 64 LEU CB C 308 42.678 44.531 -1.853 1
1 756 . 3 1 1 A 65 65 ILE H H 309 9.009 8.919 0.090 1
1 757 . 3 1 1 A 65 65 ILE HA H 309 3.880 4.489 -0.609 1
1 767 . 3 1 1 A 65 65 ILE C C 309 173.963 174.951 -0.988 1
1 768 . 3 1 1 A 65 65 ILE CA C 309 60.296 60.181 0.115 1
1 769 . 3 1 1 A 65 65 ILE CB C 309 40.727 39.464 1.263 1
1 773 . 3 1 1 A 65 65 ILE N N 309 133.046 128.123 4.923 1
1 774 . 3 1 1 A 66 66 PHE H H 310 8.508 8.673 -0.165 1
1 775 . 3 1 1 A 66 66 PHE HA H 310 4.367 4.966 -0.599 1
1 783 . 3 1 1 A 66 66 PHE C C 310 174.555 175.732 -1.177 1
1 784 . 3 1 1 A 66 66 PHE CA C 310 54.878 55.998 -1.120 1
1 785 . 3 1 1 A 66 66 PHE CB C 310 38.819 40.380 -1.561 1
1 789 . 3 1 1 A 66 66 PHE N N 310 132.294 123.967 8.327 1
1 790 . 3 1 1 A 67 67 GLU H H 311 7.879 8.794 -0.915 1
1 791 . 3 1 1 A 67 67 GLU HA H 311 4.025 4.448 -0.423 1
1 796 . 3 1 1 A 67 67 GLU C C 311 177.819 177.194 0.625 1
1 797 . 3 1 1 A 67 67 GLU CA C 311 59.266 59.300 -0.034 1
1 798 . 3 1 1 A 67 67 GLU CB C 311 30.421 30.710 -0.289 1
1 800 . 3 1 1 A 67 67 GLU N N 311 127.092 124.080 3.012 1
1 801 . 3 1 1 A 68 68 VAL H H 312 7.428 7.614 -0.186 1
1 802 . 3 1 1 A 68 68 VAL HA H 312 3.402 4.488 -1.086 1
1 810 . 3 1 1 A 68 68 VAL C C 312 173.921 174.160 -0.239 1
1 811 . 3 1 1 A 68 68 VAL CA C 312 61.444 61.144 0.300 1
1 812 . 3 1 1 A 68 68 VAL CB C 312 34.790 32.567 2.223 1
1 815 . 3 1 1 A 68 68 VAL N N 312 120.315 116.851 3.464 1
1 816 . 3 1 1 A 69 69 VAL H H 313 8.233 8.677 -0.444 1
1 817 . 3 1 1 A 69 69 VAL HA H 313 3.829 4.236 -0.407 1
1 825 . 3 1 1 A 69 69 VAL C C 313 175.123 175.110 0.013 1
1 826 . 3 1 1 A 69 69 VAL CA C 313 63.200 62.819 0.381 1
1 827 . 3 1 1 A 69 69 VAL CB C 313 32.836 32.547 0.289 1
1 830 . 3 1 1 A 69 69 VAL N N 313 132.928 128.955 3.973 1
1 831 . 3 1 1 A 70 70 ARG H H 314 9.259 8.957 0.302 1
1 832 . 3 1 1 A 70 70 ARG HA H 314 4.776 4.734 0.042 1
1 839 . 3 1 1 A 70 70 ARG C C 314 177.491 176.588 0.903 1
1 840 . 3 1 1 A 70 70 ARG CA C 314 53.728 53.947 -0.219 1
1 841 . 3 1 1 A 70 70 ARG CB C 314 34.282 32.939 1.343 1
1 844 . 3 1 1 A 70 70 ARG N N 314 133.209 127.784 5.425 1
1 845 . 3 1 1 A 71 71 ALA H H 315 9.059 9.078 -0.019 1
1 846 . 3 1 1 A 71 71 ALA HA H 315 3.676 3.995 -0.319 1
1 850 . 3 1 1 A 71 71 ALA C C 315 180.122 179.729 0.393 1
1 851 . 3 1 1 A 71 71 ALA CA C 315 56.356 55.198 1.158 1
1 852 . 3 1 1 A 71 71 ALA CB C 315 17.923 18.397 -0.474 1
1 853 . 3 1 1 A 71 71 ALA N N 315 131.839 124.420 7.419 1
1 854 . 3 1 1 A 72 72 SER H H 316 7.735 7.991 -0.256 1
1 855 . 3 1 1 A 72 72 SER HA H 316 4.046 4.218 -0.172 1
1 858 . 3 1 1 A 72 72 SER C C 316 175.495 174.759 0.736 1
1 859 . 3 1 1 A 72 72 SER CA C 316 60.037 61.361 -1.324 1
1 860 . 3 1 1 A 72 72 SER CB C 316 62.381 63.133 -0.752 1
1 861 . 3 1 1 A 72 72 SER N N 316 115.841 113.654 2.187 1
1 862 . 3 1 1 A 73 73 ASP H H 317 8.175 7.965 0.210 1
1 863 . 3 1 1 A 73 73 ASP HA H 317 4.644 4.721 -0.077 1
1 866 . 3 1 1 A 73 73 ASP C C 317 176.176 176.378 -0.202 1
1 867 . 3 1 1 A 73 73 ASP CA C 317 55.305 54.949 0.356 1
1 868 . 3 1 1 A 73 73 ASP CB C 317 42.572 41.416 1.156 1
1 869 . 3 1 1 A 73 73 ASP N N 317 126.327 119.154 7.173 1
1 870 . 3 1 1 A 74 74 ALA H H 318 7.339 6.970 0.369 1
1 871 . 3 1 1 A 74 74 ALA HA H 318 4.013 4.234 -0.221 1
1 875 . 3 1 1 A 74 74 ALA C C 318 176.813 177.296 -0.483 1
1 876 . 3 1 1 A 74 74 ALA CA C 318 53.570 53.145 0.425 1
1 877 . 3 1 1 A 74 74 ALA CB C 318 20.548 20.069 0.479 1
1 878 . 3 1 1 A 74 74 ALA N N 318 127.859 121.741 6.118 1
1 879 . 3 1 1 A 75 75 GLY H H 319 8.797 8.396 0.401 1
1 880 . 3 1 1 A 75 75 GLY HA2 H 319 3.599 4.082 -0.483 1
1 881 . 3 1 1 A 75 75 GLY HA3 H 319 4.239 4.146 0.093 1
1 882 . 3 1 1 A 75 75 GLY C C 319 170.102 171.809 -1.707 1
1 883 . 3 1 1 A 75 75 GLY CA C 319 45.105 44.509 0.596 1
1 884 . 3 1 1 A 75 75 GLY N N 319 114.261 107.478 6.783 1
1 885 . 3 1 1 A 76 76 ALA H H 320 7.621 8.116 -0.495 1
1 886 . 3 1 1 A 76 76 ALA HA H 320 4.521 4.822 -0.301 1
1 890 . 3 1 1 A 76 76 ALA C C 320 176.291 176.479 -0.188 1
1 891 . 3 1 1 A 76 76 ALA CA C 320 51.158 51.486 -0.328 1
1 892 . 3 1 1 A 76 76 ALA CB C 320 19.242 19.555 -0.313 1
1 893 . 3 1 1 A 76 76 ALA N N 320 129.042 122.877 6.165 1
1 894 . 3 1 1 A 77 77 TYR H H 321 9.406 9.047 0.359 1
1 895 . 3 1 1 A 77 77 TYR HA H 321 5.237 5.232 0.005 1
1 903 . 3 1 1 A 77 77 TYR C C 321 175.676 175.903 -0.227 1
1 904 . 3 1 1 A 77 77 TYR CA C 321 57.779 57.934 -0.155 1
1 905 . 3 1 1 A 77 77 TYR CB C 321 40.623 40.357 0.266 1
1 908 . 3 1 1 A 77 77 TYR N N 321 132.635 124.165 8.470 1
1 909 . 3 1 1 A 78 78 ALA H H 322 9.084 9.025 0.059 1
1 910 . 3 1 1 A 78 78 ALA HA H 322 5.031 5.328 -0.297 1
1 914 . 3 1 1 A 78 78 ALA CA C 322 50.120 51.355 -1.235 1
1 915 . 3 1 1 A 78 78 ALA CB C 322 21.653 24.034 -2.381 1
1 916 . 3 1 1 A 78 78 ALA N N 322 130.291 122.700 7.591 1
1 917 . 3 1 1 A 79 79 CYS H H 323 7.932 8.839 -0.907 1
1 918 . 3 1 1 A 79 79 CYS HA H 323 4.037 4.731 -0.694 1
1 919 . 3 1 1 A 79 79 CYS C C 323 173.727 173.247 0.480 1
1 920 . 3 1 1 A 79 79 CYS CA C 323 56.345 56.976 -0.631 1
1 921 . 3 1 1 A 80 80 VAL H H 324 8.671 8.816 -0.145 1
1 922 . 3 1 1 A 80 80 VAL HA H 324 4.596 4.251 0.345 1
1 930 . 3 1 1 A 80 80 VAL C C 324 174.904 174.943 -0.039 1
1 931 . 3 1 1 A 80 80 VAL CA C 324 60.907 62.155 -1.248 1
1 932 . 3 1 1 A 80 80 VAL CB C 324 34.334 32.086 2.248 1
1 934 . 3 1 1 A 80 80 VAL N N 324 135.079 127.012 8.067 1
1 935 . 3 1 1 A 81 81 ALA H H 325 9.107 8.632 0.475 1
1 936 . 3 1 1 A 81 81 ALA HA H 325 5.220 5.027 0.193 1
1 940 . 3 1 1 A 81 81 ALA C C 325 175.446 175.810 -0.364 1
1 941 . 3 1 1 A 81 81 ALA CA C 325 49.197 50.760 -1.563 1
1 942 . 3 1 1 A 81 81 ALA CB C 325 22.479 21.355 1.124 1
1 943 . 3 1 1 A 81 81 ALA N N 325 136.369 128.941 7.428 1
1 944 . 3 1 1 A 82 82 LYS H H 326 8.734 8.909 -0.175 1
1 945 . 3 1 1 A 82 82 LYS HA H 326 5.021 5.156 -0.135 1
1 954 . 3 1 1 A 82 82 LYS C C 326 175.054 175.245 -0.191 1
1 955 . 3 1 1 A 82 82 LYS CA C 326 55.451 54.533 0.918 1
1 956 . 3 1 1 A 82 82 LYS CB C 326 37.852 36.048 1.804 1
1 960 . 3 1 1 A 82 82 LYS N N 326 128.038 123.074 4.964 1
1 961 . 3 1 1 A 83 83 ASN H H 327 8.949 8.785 0.164 1
1 962 . 3 1 1 A 83 83 ASN HA H 327 4.624 5.128 -0.504 1
1 967 . 3 1 1 A 83 83 ASN C C 327 176.409 175.263 1.146 1
1 968 . 3 1 1 A 83 83 ASN CA C 327 51.838 51.385 0.453 1
1 969 . 3 1 1 A 83 83 ASN CB C 327 40.927 39.802 1.125 1
1 970 . 3 1 1 A 83 83 ASN N N 327 128.769 121.673 7.096 1
1 972 . 3 1 1 A 84 84 ARG H H 328 8.203 9.120 -0.917 1
1 973 . 3 1 1 A 84 84 ARG HA H 328 3.917 4.075 -0.158 1
1 981 . 3 1 1 A 84 84 ARG C C 328 175.820 176.020 -0.200 1
1 982 . 3 1 1 A 84 84 ARG CA C 328 58.250 58.043 0.207 1
1 983 . 3 1 1 A 84 84 ARG CB C 328 29.985 29.632 0.353 1
1 986 . 3 1 1 A 84 84 ARG N N 328 121.021 117.780 3.241 1
1 988 . 3 1 1 A 85 85 ALA H H 329 7.599 8.040 -0.441 1
1 989 . 3 1 1 A 85 85 ALA HA H 329 4.279 4.489 -0.210 1
1 993 . 3 1 1 A 85 85 ALA C C 329 177.261 176.981 0.280 1
1 994 . 3 1 1 A 85 85 ALA CA C 329 51.905 51.937 -0.032 1
1 995 . 3 1 1 A 85 85 ALA CB C 329 19.637 20.611 -0.974 1
1 996 . 3 1 1 A 85 85 ALA N N 329 125.074 121.619 3.455 1
1 997 . 3 1 1 A 86 86 GLY H H 330 7.624 7.193 0.431 1
1 998 . 3 1 1 A 86 86 GLY HA2 H 330 3.806 4.058 -0.252 1
1 999 . 3 1 1 A 86 86 GLY HA3 H 330 4.164 4.064 0.100 1
1 1000 . 3 1 1 A 86 86 GLY C C 330 169.646 170.844 -1.198 1
1 1001 . 3 1 1 A 86 86 GLY CA C 330 46.012 45.898 0.114 1
1 1002 . 3 1 1 A 86 86 GLY N N 330 112.891 103.675 9.216 1
1 1003 . 3 1 1 A 87 87 GLU H H 331 8.213 8.460 -0.247 1
1 1004 . 3 1 1 A 87 87 GLU HA H 331 5.274 5.249 0.025 1
1 1009 . 3 1 1 A 87 87 GLU C C 331 174.418 174.699 -0.281 1
1 1010 . 3 1 1 A 87 87 GLU CA C 331 54.349 55.056 -0.707 1
1 1011 . 3 1 1 A 87 87 GLU CB C 331 34.615 33.514 1.101 1
1 1013 . 3 1 1 A 87 87 GLU N N 331 123.208 120.367 2.841 1
1 1014 . 3 1 1 A 88 88 ALA H H 332 8.897 8.818 0.079 1
1 1015 . 3 1 1 A 88 88 ALA HA H 332 4.569 5.001 -0.432 1
1 1019 . 3 1 1 A 88 88 ALA C C 332 175.121 175.178 -0.057 1
1 1020 . 3 1 1 A 88 88 ALA CA C 332 51.592 50.523 1.069 1
1 1021 . 3 1 1 A 88 88 ALA CB C 332 23.324 23.622 -0.298 1
1 1022 . 3 1 1 A 88 88 ALA N N 332 131.757 126.199 5.558 1
1 1023 . 3 1 1 A 89 89 THR H H 333 8.521 8.445 0.076 1
1 1024 . 3 1 1 A 89 89 THR HA H 333 5.661 4.622 1.039 1
1 1029 . 3 1 1 A 89 89 THR C C 333 173.827 172.758 1.069 1
1 1030 . 3 1 1 A 89 89 THR CA C 333 60.601 61.197 -0.596 1
1 1031 . 3 1 1 A 89 89 THR CB C 333 72.140 71.102 1.038 1
1 1033 . 3 1 1 A 89 89 THR N N 333 121.100 114.340 6.760 1
1 1034 . 3 1 1 A 90 90 PHE H H 334 8.603 8.296 0.307 1
1 1035 . 3 1 1 A 90 90 PHE HA H 334 4.624 5.257 -0.633 1
1 1043 . 3 1 1 A 90 90 PHE CA C 334 56.618 57.419 -0.801 1
1 1044 . 3 1 1 A 90 90 PHE CB C 334 42.489 41.627 0.862 1
1 1048 . 3 1 1 A 91 91 THR H H 335 8.174 9.017 -0.843 1
1 1049 . 3 1 1 A 91 91 THR HA H 335 5.445 5.268 0.177 1
1 1054 . 3 1 1 A 91 91 THR CA C 335 60.110 61.528 -1.418 1
1 1055 . 3 1 1 A 91 91 THR CB C 335 71.671 72.152 -0.481 1
1 1057 . 3 1 1 A 92 92 VAL H H 336 9.158 8.987 0.171 1
1 1058 . 3 1 1 A 92 92 VAL HA H 336 4.432 4.861 -0.429 1
1 1066 . 3 1 1 A 92 92 VAL C C 336 171.594 173.311 -1.717 1
1 1067 . 3 1 1 A 92 92 VAL CA C 336 60.914 60.107 0.807 1
1 1068 . 3 1 1 A 92 92 VAL CB C 336 35.760 35.406 0.354 1
1 1071 . 3 1 1 A 92 92 VAL N N 336 130.220 121.979 8.241 1
1 1072 . 3 1 1 A 93 93 GLN H H 337 8.302 8.635 -0.333 1
1 1073 . 3 1 1 A 93 93 GLN HA H 337 4.756 5.372 -0.616 1
1 1080 . 3 1 1 A 93 93 GLN C C 337 174.009 173.235 0.774 1
1 1081 . 3 1 1 A 93 93 GLN CA C 337 54.672 54.405 0.267 1
1 1082 . 3 1 1 A 93 93 GLN CB C 337 30.071 32.728 -2.657 1
1 1084 . 3 1 1 A 93 93 GLN N N 337 133.412 125.413 7.999 1
1 1086 . 3 1 1 A 94 94 LEU H H 338 8.812 9.182 -0.370 1
1 1087 . 3 1 1 A 94 94 LEU HA H 338 4.836 4.947 -0.111 1
1 1097 . 3 1 1 A 94 94 LEU C C 338 175.099 174.578 0.521 1
1 1098 . 3 1 1 A 94 94 LEU CA C 338 53.725 53.837 -0.112 1
1 1099 . 3 1 1 A 94 94 LEU CB C 338 44.955 45.151 -0.196 1
1 1103 . 3 1 1 A 94 94 LEU N N 338 133.816 126.514 7.302 1
1 1104 . 3 1 1 A 95 95 ASP H H 339 8.747 9.094 -0.347 1
1 1105 . 3 1 1 A 95 95 ASP HA H 339 4.871 4.881 -0.010 1
1 1108 . 3 1 1 A 95 95 ASP C C 339 174.295 175.044 -0.749 1
1 1109 . 3 1 1 A 95 95 ASP CA C 339 53.311 53.342 -0.031 1
1 1110 . 3 1 1 A 95 95 ASP CB C 339 42.895 39.707 3.188 1
1 1111 . 3 1 1 A 95 95 ASP N N 339 134.770 127.001 7.769 1
1 1112 . 3 1 1 A 96 96 VAL H H 340 7.745 8.062 -0.317 1
1 1113 . 3 1 1 A 96 96 VAL HA H 340 4.653 4.089 0.564 1
1 1121 . 3 1 1 A 96 96 VAL C C 340 175.494 175.570 -0.076 1
1 1122 . 3 1 1 A 96 96 VAL CA C 340 60.722 62.999 -2.277 1
1 1123 . 3 1 1 A 96 96 VAL CB C 340 33.852 31.463 2.389 1
1 1126 . 3 1 1 A 96 96 VAL N N 340 128.328 123.425 4.903 1
1 1127 . 3 1 1 A 97 97 LEU H H 341 8.524 8.889 -0.365 1
1 1128 . 3 1 1 A 97 97 LEU HA H 341 4.243 4.613 -0.370 1
1 1138 . 3 1 1 A 97 97 LEU C C 341 176.052 176.503 -0.451 1
1 1139 . 3 1 1 A 97 97 LEU CA C 341 54.086 54.315 -0.229 1
1 1140 . 3 1 1 A 97 97 LEU CB C 341 41.446 41.087 0.359 1
1 1144 . 3 1 1 A 97 97 LEU N N 341 136.554 129.492 7.062 1
1 1145 . 3 1 1 A 98 98 ALA H H 342 8.344 8.608 -0.264 1
1 1146 . 3 1 1 A 98 98 ALA HA H 342 4.227 4.254 -0.027 1
1 1150 . 3 1 1 A 98 98 ALA C C 342 177.569 178.177 -0.608 1
1 1151 . 3 1 1 A 98 98 ALA CA C 342 51.964 52.343 -0.379 1
1 1152 . 3 1 1 A 98 98 ALA CB C 342 19.976 19.248 0.728 1
1 1153 . 3 1 1 A 98 98 ALA N N 342 134.558 128.316 6.242 1
1 1154 . 3 1 1 A 99 99 LYS H H 343 8.552 8.965 -0.413 1
1 1155 . 3 1 1 A 99 99 LYS HA H 343 4.119 4.058 0.061 1
1 1164 . 3 1 1 A 99 99 LYS C C 343 175.859 178.264 -2.405 1
1 1165 . 3 1 1 A 99 99 LYS CA C 343 56.453 59.778 -3.325 1
1 1166 . 3 1 1 A 99 99 LYS CB C 343 33.257 32.322 0.935 1
1 1170 . 3 1 1 A 99 99 LYS N N 343 128.906 121.771 7.135 1
1 4 . 4 1 1 A 2 2 ALA HA H -3 4.167 4.441 -0.274 1
1 8 . 4 1 1 A 2 2 ALA C C -3 177.254 176.991 0.263 1
1 9 . 4 1 1 A 2 2 ALA CA C -3 52.427 52.151 0.276 1
1 10 . 4 1 1 A 2 2 ALA CB C -3 19.740 19.928 -0.188 1
1 11 . 4 1 1 A 3 3 MET H H -2 8.135 8.617 -0.482 1
1 12 . 4 1 1 A 3 3 MET HA H -2 4.351 4.927 -0.576 1
1 20 . 4 1 1 A 3 3 MET C C -2 176.007 174.539 1.468 1
1 21 . 4 1 1 A 3 3 MET CA C -2 55.444 53.630 1.814 1
1 22 . 4 1 1 A 3 3 MET CB C -2 34.277 36.074 -1.797 1
1 25 . 4 1 1 A 3 3 MET N N -2 125.628 115.155 10.473 1
1 43 . 4 1 1 A 6 6 PRO HA H 250 4.591 4.711 -0.120 1
1 50 . 4 1 1 A 6 6 PRO C C 250 175.444 175.624 -0.180 1
1 51 . 4 1 1 A 6 6 PRO CA C 250 61.829 62.495 -0.666 1
1 52 . 4 1 1 A 6 6 PRO CB C 250 32.464 32.611 -0.147 1
1 55 . 4 1 1 A 7 7 ARG H H 251 7.588 8.807 -1.219 1
1 56 . 4 1 1 A 7 7 ARG HA H 251 4.078 4.858 -0.780 1
1 64 . 4 1 1 A 7 7 ARG C C 251 175.065 174.876 0.189 1
1 65 . 4 1 1 A 7 7 ARG CA C 251 54.552 54.473 0.079 1
1 66 . 4 1 1 A 7 7 ARG CB C 251 33.587 34.066 -0.479 1
1 69 . 4 1 1 A 7 7 ARG N N 251 124.900 120.530 4.370 1
1 71 . 4 1 1 A 8 8 PHE H H 252 8.893 9.024 -0.131 1
1 72 . 4 1 1 A 8 8 PHE HA H 252 4.708 4.599 0.109 1
1 80 . 4 1 1 A 8 8 PHE CA C 252 59.744 56.680 3.064 1
1 81 . 4 1 1 A 8 8 PHE CB C 252 39.263 37.056 2.207 1
1 85 . 4 1 1 A 8 8 PHE N N 252 128.828 120.328 8.500 1
1 86 . 4 1 1 A 9 9 ILE H H 253 8.223 8.113 0.110 1
1 87 . 4 1 1 A 9 9 ILE HA H 253 4.090 4.294 -0.204 1
1 97 . 4 1 1 A 9 9 ILE C C 253 175.698 175.915 -0.217 1
1 98 . 4 1 1 A 9 9 ILE CA C 253 61.230 61.169 0.061 1
1 99 . 4 1 1 A 9 9 ILE CB C 253 39.165 38.573 0.592 1
1 103 . 4 1 1 A 9 9 ILE N N 253 128.239 124.035 4.204 1
1 104 . 4 1 1 A 10 10 GLN H H 254 7.437 8.209 -0.772 1
1 105 . 4 1 1 A 10 10 GLN HA H 254 4.450 4.339 0.111 1
1 112 . 4 1 1 A 10 10 GLN C C 254 174.149 175.693 -1.544 1
1 113 . 4 1 1 A 10 10 GLN CA C 254 56.197 56.839 -0.642 1
1 114 . 4 1 1 A 10 10 GLN CB C 254 32.367 29.632 2.735 1
1 116 . 4 1 1 A 10 10 GLN N N 254 127.323 123.024 4.299 1
1 118 . 4 1 1 A 11 11 VAL H H 255 8.283 8.846 -0.563 1
1 119 . 4 1 1 A 11 11 VAL HA H 255 4.185 4.714 -0.529 1
1 127 . 4 1 1 A 11 11 VAL CA C 255 57.931 57.890 0.041 1
1 128 . 4 1 1 A 11 11 VAL CB C 255 33.230 34.135 -0.905 1
1 131 . 4 1 1 A 11 11 VAL N N 255 126.734 120.299 6.435 1
1 132 . 4 1 1 A 12 12 PRO HA H 256 4.538 4.501 0.037 1
1 139 . 4 1 1 A 12 12 PRO CA C 256 62.209 62.301 -0.092 1
1 140 . 4 1 1 A 12 12 PRO CB C 256 31.724 32.186 -0.462 1
1 143 . 4 1 1 A 13 13 GLU H H 257 7.870 8.563 -0.693 1
1 144 . 4 1 1 A 13 13 GLU HA H 257 4.257 4.465 -0.208 1
1 149 . 4 1 1 A 13 13 GLU CA C 257 54.764 56.246 -1.482 1
1 150 . 4 1 1 A 13 13 GLU CB C 257 31.690 30.653 1.037 1
1 152 . 4 1 1 A 13 13 GLU N N 257 124.369 120.635 3.734 1
1 153 . 4 1 1 A 14 14 ASN H H 258 8.133 8.647 -0.514 1
1 154 . 4 1 1 A 14 14 ASN HA H 258 4.639 4.728 -0.089 1
1 159 . 4 1 1 A 14 14 ASN CA C 258 54.285 53.820 0.465 1
1 160 . 4 1 1 A 14 14 ASN CB C 258 38.023 38.367 -0.344 1
1 161 . 4 1 1 A 14 14 ASN N N 258 123.151 120.577 2.574 1
1 163 . 4 1 1 A 15 15 MET H H 259 8.295 8.940 -0.645 1
1 164 . 4 1 1 A 15 15 MET HA H 259 4.695 4.737 -0.042 1
1 172 . 4 1 1 A 15 15 MET C C 259 174.675 175.243 -0.568 1
1 173 . 4 1 1 A 15 15 MET CA C 259 55.153 54.718 0.435 1
1 174 . 4 1 1 A 15 15 MET CB C 259 38.064 33.663 4.401 1
1 177 . 4 1 1 A 15 15 MET N N 259 125.442 124.468 0.974 1
1 178 . 4 1 1 A 16 16 SER H H 260 8.332 8.828 -0.496 1
1 179 . 4 1 1 A 16 16 SER HA H 260 5.261 5.428 -0.167 1
1 182 . 4 1 1 A 16 16 SER C C 260 172.889 172.911 -0.022 1
1 183 . 4 1 1 A 16 16 SER CA C 260 56.748 57.507 -0.759 1
1 184 . 4 1 1 A 16 16 SER CB C 260 64.170 65.228 -1.058 1
1 185 . 4 1 1 A 16 16 SER N N 260 125.417 113.269 12.148 1
1 186 . 4 1 1 A 17 17 ILE H H 261 8.394 9.042 -0.648 1
1 187 . 4 1 1 A 17 17 ILE HA H 261 4.366 4.630 -0.264 1
1 197 . 4 1 1 A 17 17 ILE C C 261 173.465 175.244 -1.779 1
1 198 . 4 1 1 A 17 17 ILE CA C 261 57.461 60.102 -2.641 1
1 199 . 4 1 1 A 17 17 ILE CB C 261 41.882 41.345 0.537 1
1 203 . 4 1 1 A 17 17 ILE N N 261 131.680 126.142 5.538 1
1 204 . 4 1 1 A 18 18 ASP H H 262 8.043 8.752 -0.709 1
1 205 . 4 1 1 A 18 18 ASP HA H 262 4.498 4.482 0.016 1
1 208 . 4 1 1 A 18 18 ASP C C 262 174.970 175.965 -0.995 1
1 209 . 4 1 1 A 18 18 ASP CA C 262 54.962 54.756 0.206 1
1 210 . 4 1 1 A 18 18 ASP CB C 262 41.518 40.865 0.653 1
1 211 . 4 1 1 A 18 18 ASP N N 262 132.455 127.494 4.961 1
1 212 . 4 1 1 A 19 19 GLU H H 263 8.058 8.749 -0.691 1
1 213 . 4 1 1 A 19 19 GLU HA H 263 3.322 3.913 -0.591 1
1 218 . 4 1 1 A 19 19 GLU C C 263 176.656 177.354 -0.698 1
1 219 . 4 1 1 A 19 19 GLU CA C 263 58.351 58.308 0.043 1
1 220 . 4 1 1 A 19 19 GLU CB C 263 29.716 29.334 0.382 1
1 222 . 4 1 1 A 19 19 GLU N N 263 126.424 124.810 1.614 1
1 223 . 4 1 1 A 20 20 GLY H H 264 9.131 9.118 0.013 1
1 224 . 4 1 1 A 20 20 GLY HA2 H 264 3.366 3.990 -0.624 1
1 225 . 4 1 1 A 20 20 GLY HA3 H 264 4.196 3.994 0.202 1
1 226 . 4 1 1 A 20 20 GLY C C 264 174.582 174.548 0.034 1
1 227 . 4 1 1 A 20 20 GLY CA C 264 44.837 44.964 -0.127 1
1 228 . 4 1 1 A 20 20 GLY N N 264 119.124 115.080 4.044 1
1 229 . 4 1 1 A 21 21 ARG H H 265 7.192 7.290 -0.098 1
1 230 . 4 1 1 A 21 21 ARG HA H 265 4.377 4.444 -0.067 1
1 238 . 4 1 1 A 21 21 ARG C C 265 174.091 175.743 -1.652 1
1 239 . 4 1 1 A 21 21 ARG CA C 265 55.263 55.857 -0.594 1
1 240 . 4 1 1 A 21 21 ARG CB C 265 31.467 31.721 -0.254 1
1 243 . 4 1 1 A 21 21 ARG N N 265 126.182 120.302 5.880 1
1 245 . 4 1 1 A 22 22 PHE H H 266 7.699 8.801 -1.102 1
1 246 . 4 1 1 A 22 22 PHE HA H 266 4.688 4.933 -0.245 1
1 254 . 4 1 1 A 22 22 PHE C C 266 175.911 174.980 0.931 1
1 255 . 4 1 1 A 22 22 PHE CA C 266 57.132 59.272 -2.140 1
1 256 . 4 1 1 A 22 22 PHE CB C 266 41.270 40.062 1.208 1
1 260 . 4 1 1 A 22 22 PHE N N 266 127.111 122.480 4.631 1
1 261 . 4 1 1 A 23 23 CYS H H 267 8.140 8.388 -0.248 1
1 262 . 4 1 1 A 23 23 CYS HA H 267 4.282 4.990 -0.708 1
1 265 . 4 1 1 A 23 23 CYS C C 267 170.233 172.359 -2.126 1
1 266 . 4 1 1 A 23 23 CYS CA C 267 57.626 57.745 -0.119 1
1 267 . 4 1 1 A 23 23 CYS CB C 267 30.411 32.252 -1.841 1
1 268 . 4 1 1 A 23 23 CYS N N 267 130.194 125.757 4.437 1
1 269 . 4 1 1 A 24 24 ARG H H 268 8.160 8.821 -0.661 1
1 270 . 4 1 1 A 24 24 ARG HA H 268 5.167 5.194 -0.027 1
1 278 . 4 1 1 A 24 24 ARG CA C 268 53.910 54.395 -0.485 1
1 279 . 4 1 1 A 24 24 ARG CB C 268 35.114 33.970 1.144 1
1 283 . 4 1 1 A 25 25 MET H H 269 8.839 8.696 0.143 1
1 284 . 4 1 1 A 25 25 MET HA H 269 4.518 5.232 -0.714 1
1 292 . 4 1 1 A 25 25 MET C C 269 174.090 174.731 -0.641 1
1 293 . 4 1 1 A 25 25 MET CA C 269 54.960 53.888 1.072 1
1 294 . 4 1 1 A 25 25 MET CB C 269 35.645 35.523 0.122 1
1 297 . 4 1 1 A 25 25 MET N N 269 127.757 120.510 7.247 1
1 298 . 4 1 1 A 26 26 ASP H H 270 8.473 8.524 -0.051 1
1 299 . 4 1 1 A 26 26 ASP HA H 270 5.772 5.457 0.315 1
1 302 . 4 1 1 A 26 26 ASP CA C 270 53.157 52.874 0.283 1
1 303 . 4 1 1 A 26 26 ASP CB C 270 43.595 43.517 0.078 1
1 304 . 4 1 1 A 26 26 ASP N N 270 129.880 119.483 10.397 1
1 305 . 4 1 1 A 27 27 PHE H H 271 9.180 9.058 0.122 1
1 306 . 4 1 1 A 27 27 PHE HA H 271 5.014 4.912 0.102 1
1 314 . 4 1 1 A 27 27 PHE CA C 271 55.904 56.178 -0.274 1
1 317 . 4 1 1 A 27 27 PHE N N 271 123.116 122.508 0.608 1
1 318 . 4 1 1 A 28 28 LYS H H 272 9.221 8.682 0.539 1
1 327 . 4 1 1 A 28 28 LYS CA C 272 59.294 57.337 1.957 1
1 328 . 4 1 1 A 28 28 LYS CB C 272 38.090 33.282 4.808 1
1 332 . 4 1 1 A 28 28 LYS N N 272 131.321 124.668 6.653 1
1 333 . 4 1 1 A 29 29 VAL H H 273 8.304 8.573 -0.269 1
1 334 . 4 1 1 A 29 29 VAL HA H 273 4.331 4.878 -0.547 1
1 342 . 4 1 1 A 29 29 VAL C C 273 175.240 173.019 2.221 1
1 343 . 4 1 1 A 29 29 VAL CA C 273 61.020 59.772 1.248 1
1 344 . 4 1 1 A 29 29 VAL CB C 273 33.889 35.575 -1.686 1
1 347 . 4 1 1 A 30 30 SER H H 274 8.545 8.736 -0.191 1
1 348 . 4 1 1 A 30 30 SER HA H 274 4.647 5.091 -0.444 1
1 351 . 4 1 1 A 30 30 SER C C 274 172.993 173.430 -0.437 1
1 352 . 4 1 1 A 30 30 SER CA C 274 56.505 57.121 -0.616 1
1 353 . 4 1 1 A 30 30 SER CB C 274 65.805 66.721 -0.916 1
1 354 . 4 1 1 A 30 30 SER N N 274 129.796 121.905 7.891 1
1 355 . 4 1 1 A 31 31 GLY H H 275 7.712 8.589 -0.877 1
1 356 . 4 1 1 A 31 31 GLY HA2 H 275 3.220 4.144 -0.924 1
1 357 . 4 1 1 A 31 31 GLY HA3 H 275 3.649 4.149 -0.500 1
1 358 . 4 1 1 A 31 31 GLY C C 275 170.984 171.718 -0.734 1
1 359 . 4 1 1 A 31 31 GLY CA C 275 45.099 44.049 1.050 1
1 360 . 4 1 1 A 31 31 GLY N N 275 115.009 109.475 5.534 1
1 361 . 4 1 1 A 32 32 LEU H H 276 7.668 8.462 -0.794 1
1 362 . 4 1 1 A 32 32 LEU HA H 276 4.301 4.930 -0.629 1
1 372 . 4 1 1 A 32 32 LEU C C 276 173.812 174.562 -0.750 1
1 373 . 4 1 1 A 32 32 LEU CA C 276 52.370 51.541 0.829 1
1 374 . 4 1 1 A 32 32 LEU CB C 276 45.554 45.975 -0.421 1
1 378 . 4 1 1 A 32 32 LEU N N 276 129.727 121.300 8.427 1
1 379 . 4 1 1 A 33 33 PRO HA H 277 4.416 4.630 -0.214 1
1 386 . 4 1 1 A 33 33 PRO CA C 277 62.576 62.376 0.200 1
1 387 . 4 1 1 A 33 33 PRO CB C 277 35.012 32.603 2.409 1
1 390 . 4 1 1 A 34 34 ALA H H 278 8.598 8.325 0.273 1
1 391 . 4 1 1 A 34 34 ALA HA H 278 4.153 4.275 -0.122 1
1 395 . 4 1 1 A 34 34 ALA CA C 278 50.822 50.669 0.153 1
1 396 . 4 1 1 A 34 34 ALA CB C 278 17.462 19.047 -1.585 1
1 397 . 4 1 1 A 34 34 ALA N N 278 131.518 124.428 7.090 1
1 398 . 4 1 1 A 35 35 PRO HA H 279 4.206 4.593 -0.387 1
1 405 . 4 1 1 A 35 35 PRO C C 279 175.701 176.107 -0.406 1
1 406 . 4 1 1 A 35 35 PRO CA C 279 62.628 62.407 0.221 1
1 407 . 4 1 1 A 35 35 PRO CB C 279 33.069 32.065 1.004 1
1 410 . 4 1 1 A 36 36 ASP H H 280 8.621 8.683 -0.062 1
1 411 . 4 1 1 A 36 36 ASP HA H 280 4.659 4.619 0.040 1
1 414 . 4 1 1 A 36 36 ASP C C 280 176.057 175.632 0.425 1
1 415 . 4 1 1 A 36 36 ASP CA C 280 54.307 53.571 0.736 1
1 416 . 4 1 1 A 36 36 ASP CB C 280 42.741 41.724 1.017 1
1 417 . 4 1 1 A 36 36 ASP N N 280 127.555 121.733 5.822 1
1 418 . 4 1 1 A 37 37 VAL H H 281 8.635 8.289 0.346 1
1 419 . 4 1 1 A 37 37 VAL HA H 281 4.938 4.668 0.270 1
1 427 . 4 1 1 A 37 37 VAL CA C 281 61.135 61.420 -0.285 1
1 428 . 4 1 1 A 37 37 VAL CB C 281 34.579 34.279 0.300 1
1 431 . 4 1 1 A 38 38 SER H H 282 8.591 8.706 -0.115 1
1 432 . 4 1 1 A 38 38 SER HA H 282 4.518 5.192 -0.674 1
1 435 . 4 1 1 A 38 38 SER CA C 282 57.540 57.655 -0.115 1
1 436 . 4 1 1 A 38 38 SER CB C 282 66.530 65.173 1.357 1
1 437 . 4 1 1 A 38 38 SER N N 282 128.264 124.669 3.595 1
1 438 . 4 1 1 A 39 39 TRP H H 283 8.426 8.905 -0.479 1
1 439 . 4 1 1 A 39 39 TRP HA H 283 5.297 5.207 0.090 1
1 448 . 4 1 1 A 39 39 TRP CA C 283 56.298 57.120 -0.822 1
1 449 . 4 1 1 A 39 39 TRP CB C 283 33.153 31.246 1.907 1
1 455 . 4 1 1 A 39 39 TRP N N 283 127.698 128.414 -0.716 1
1 456 . 4 1 1 A 40 40 TYR H H 284 9.373 9.325 0.048 1
1 457 . 4 1 1 A 40 40 TYR HA H 284 4.903 5.415 -0.512 1
1 464 . 4 1 1 A 40 40 TYR C C 284 174.148 174.554 -0.406 1
1 465 . 4 1 1 A 40 40 TYR CA C 284 56.849 56.273 0.576 1
1 466 . 4 1 1 A 40 40 TYR CB C 284 42.754 43.331 -0.577 1
1 469 . 4 1 1 A 40 40 TYR N N 284 125.437 120.029 5.408 1
1 470 . 4 1 1 A 41 41 LEU H H 285 8.898 9.190 -0.292 1
1 471 . 4 1 1 A 41 41 LEU HA H 285 4.255 4.596 -0.341 1
1 481 . 4 1 1 A 41 41 LEU C C 285 176.606 175.461 1.145 1
1 482 . 4 1 1 A 41 41 LEU CA C 285 53.659 54.044 -0.385 1
1 483 . 4 1 1 A 41 41 LEU CB C 285 43.740 44.884 -1.144 1
1 487 . 4 1 1 A 41 41 LEU N N 285 129.512 122.576 6.936 1
1 488 . 4 1 1 A 42 42 ASN H H 286 9.454 9.405 0.049 1
1 489 . 4 1 1 A 42 42 ASN HA H 286 4.221 4.413 -0.192 1
1 494 . 4 1 1 A 42 42 ASN C C 286 175.692 175.346 0.346 1
1 495 . 4 1 1 A 42 42 ASN CA C 286 54.239 54.345 -0.106 1
1 496 . 4 1 1 A 42 42 ASN CB C 286 37.331 36.901 0.430 1
1 497 . 4 1 1 A 42 42 ASN N N 286 134.097 125.977 8.120 1
1 499 . 4 1 1 A 43 43 GLY H H 287 8.709 8.384 0.325 1
1 500 . 4 1 1 A 43 43 GLY HA2 H 287 3.356 4.029 -0.673 1
1 501 . 4 1 1 A 43 43 GLY HA3 H 287 3.995 4.032 -0.037 1
1 502 . 4 1 1 A 43 43 GLY C C 287 173.786 173.750 0.036 1
1 503 . 4 1 1 A 43 43 GLY CA C 287 45.450 45.067 0.383 1
1 504 . 4 1 1 A 43 43 GLY N N 287 108.807 105.122 3.685 1
1 505 . 4 1 1 A 44 44 ARG H H 288 7.902 7.776 0.126 1
1 506 . 4 1 1 A 44 44 ARG HA H 288 4.697 5.015 -0.318 1
1 514 . 4 1 1 A 44 44 ARG C C 288 175.799 175.328 0.471 1
1 515 . 4 1 1 A 44 44 ARG CA C 288 54.658 54.215 0.443 1
1 516 . 4 1 1 A 44 44 ARG CB C 288 32.436 33.455 -1.019 1
1 519 . 4 1 1 A 44 44 ARG N N 288 127.837 116.706 11.131 1
1 521 . 4 1 1 A 45 45 THR H H 289 8.539 8.646 -0.107 1
1 522 . 4 1 1 A 45 45 THR HA H 289 3.763 4.298 -0.535 1
1 527 . 4 1 1 A 45 45 THR C C 289 174.692 174.340 0.352 1
1 528 . 4 1 1 A 45 45 THR CA C 289 63.977 61.664 2.313 1
1 529 . 4 1 1 A 45 45 THR CB C 289 69.706 69.952 -0.246 1
1 531 . 4 1 1 A 45 45 THR N N 289 126.100 113.287 12.813 1
1 532 . 4 1 1 A 46 46 VAL H H 290 8.033 8.378 -0.345 1
1 533 . 4 1 1 A 46 46 VAL HA H 290 3.647 4.552 -0.905 1
1 541 . 4 1 1 A 46 46 VAL C C 290 174.672 175.186 -0.514 1
1 542 . 4 1 1 A 46 46 VAL CA C 290 62.458 61.344 1.114 1
1 543 . 4 1 1 A 46 46 VAL CB C 290 32.500 34.565 -2.065 1
1 546 . 4 1 1 A 46 46 VAL N N 290 134.795 121.290 13.505 1
1 547 . 4 1 1 A 47 47 GLN H H 291 8.124 8.692 -0.568 1
1 548 . 4 1 1 A 47 47 GLN HA H 291 4.281 4.538 -0.257 1
1 555 . 4 1 1 A 47 47 GLN C C 291 175.398 175.467 -0.069 1
1 556 . 4 1 1 A 47 47 GLN CA C 291 54.235 55.259 -1.024 1
1 557 . 4 1 1 A 47 47 GLN CB C 291 30.283 29.810 0.473 1
1 559 . 4 1 1 A 47 47 GLN N N 291 132.792 127.515 5.277 1
1 561 . 4 1 1 A 48 48 SER H H 292 8.280 8.530 -0.250 1
1 562 . 4 1 1 A 48 48 SER HA H 292 4.308 4.460 -0.152 1
1 565 . 4 1 1 A 48 48 SER C C 292 174.304 173.694 0.610 1
1 566 . 4 1 1 A 48 48 SER CA C 292 58.222 58.349 -0.127 1
1 567 . 4 1 1 A 48 48 SER CB C 292 63.719 64.128 -0.409 1
1 568 . 4 1 1 A 48 48 SER N N 292 123.481 116.291 7.190 1
1 569 . 4 1 1 A 49 49 ASP H H 293 9.050 8.614 0.436 1
1 570 . 4 1 1 A 49 49 ASP HA H 293 4.482 4.939 -0.457 1
1 573 . 4 1 1 A 49 49 ASP C C 293 176.099 175.908 0.191 1
1 574 . 4 1 1 A 49 49 ASP CA C 293 53.668 53.049 0.619 1
1 575 . 4 1 1 A 49 49 ASP CB C 293 40.100 42.504 -2.404 1
1 576 . 4 1 1 A 49 49 ASP N N 293 131.157 120.361 10.796 1
1 577 . 4 1 1 A 50 50 ASP H H 294 8.324 8.869 -0.545 1
1 578 . 4 1 1 A 50 50 ASP HA H 294 4.167 4.251 -0.084 1
1 581 . 4 1 1 A 50 50 ASP C C 294 176.520 177.870 -1.350 1
1 582 . 4 1 1 A 50 50 ASP CA C 294 57.367 57.034 0.333 1
1 583 . 4 1 1 A 50 50 ASP CB C 294 40.226 40.376 -0.150 1
1 584 . 4 1 1 A 50 50 ASP N N 294 122.206 118.917 3.289 1
1 585 . 4 1 1 A 51 51 LEU H H 295 7.749 7.775 -0.026 1
1 586 . 4 1 1 A 51 51 LEU HA H 295 4.281 4.173 0.108 1
1 596 . 4 1 1 A 51 51 LEU C C 295 175.716 176.507 -0.791 1
1 597 . 4 1 1 A 51 51 LEU CA C 295 54.407 55.126 -0.719 1
1 598 . 4 1 1 A 51 51 LEU CB C 295 43.849 42.151 1.698 1
1 602 . 4 1 1 A 51 51 LEU N N 295 121.836 117.610 4.226 1
1 603 . 4 1 1 A 52 52 HIS H H 296 7.548 7.681 -0.133 1
1 604 . 4 1 1 A 52 52 HIS HA H 296 5.091 4.781 0.310 1
1 609 . 4 1 1 A 52 52 HIS C C 296 172.683 173.915 -1.232 1
1 610 . 4 1 1 A 52 52 HIS CA C 296 54.900 53.883 1.017 1
1 611 . 4 1 1 A 52 52 HIS CB C 296 28.894 29.249 -0.355 1
1 614 . 4 1 1 A 52 52 HIS N N 296 126.326 115.938 10.388 1
1 615 . 4 1 1 A 53 53 LYS H H 297 8.515 8.478 0.037 1
1 616 . 4 1 1 A 53 53 LYS HA H 297 4.608 4.212 0.396 1
1 625 . 4 1 1 A 53 53 LYS C C 297 174.797 175.819 -1.022 1
1 626 . 4 1 1 A 53 53 LYS CA C 297 54.303 56.816 -2.513 1
1 627 . 4 1 1 A 53 53 LYS CB C 297 35.705 33.246 2.459 1
1 631 . 4 1 1 A 53 53 LYS N N 297 127.067 122.163 4.904 1
1 632 . 4 1 1 A 54 54 MET H H 298 8.379 8.858 -0.479 1
1 633 . 4 1 1 A 54 54 MET HA H 298 5.091 5.249 -0.158 1
1 641 . 4 1 1 A 54 54 MET CA C 298 55.427 54.613 0.814 1
1 642 . 4 1 1 A 54 54 MET CB C 298 34.100 35.109 -1.009 1
1 645 . 4 1 1 A 54 54 MET N N 298 128.992 120.802 8.190 1
1 646 . 4 1 1 A 55 55 ILE H H 299 8.279 8.727 -0.448 1
1 647 . 4 1 1 A 55 55 ILE HA H 299 4.602 5.286 -0.684 1
1 657 . 4 1 1 A 55 55 ILE CA C 299 59.130 59.116 0.014 1
1 658 . 4 1 1 A 55 55 ILE CB C 299 42.747 42.303 0.444 1
1 662 . 4 1 1 A 56 56 VAL H H 300 9.227 8.765 0.462 1
1 663 . 4 1 1 A 56 56 VAL HA H 300 4.912 4.602 0.310 1
1 671 . 4 1 1 A 56 56 VAL CA C 300 59.226 61.253 -2.027 1
1 672 . 4 1 1 A 56 56 VAL CB C 300 36.406 34.757 1.649 1
1 675 . 4 1 1 A 57 57 SER H H 301 8.794 8.952 -0.158 1
1 676 . 4 1 1 A 57 57 SER HA H 301 4.575 4.487 0.088 1
1 679 . 4 1 1 A 57 57 SER CA C 301 56.558 58.582 -2.024 1
1 680 . 4 1 1 A 57 57 SER CB C 301 65.617 63.544 2.073 1
1 681 . 4 1 1 A 57 57 SER N N 301 128.893 122.822 6.071 1
1 682 . 4 1 1 A 58 58 GLU HA H 302 4.013 4.084 -0.071 1
1 687 . 4 1 1 A 58 58 GLU CA C 302 58.165 58.906 -0.741 1
1 688 . 4 1 1 A 58 58 GLU CB C 302 29.508 29.217 0.291 1
1 690 . 4 1 1 A 59 59 LYS HA H 303 4.114 4.319 -0.205 1
1 699 . 4 1 1 A 59 59 LYS C C 303 176.755 176.786 -0.031 1
1 700 . 4 1 1 A 59 59 LYS CA C 303 55.913 55.855 0.058 1
1 701 . 4 1 1 A 59 59 LYS CB C 303 31.679 32.836 -1.157 1
1 705 . 4 1 1 A 60 60 GLY H H 304 7.813 8.570 -0.757 1
1 706 . 4 1 1 A 60 60 GLY HA2 H 304 4.037 3.941 0.096 1
1 707 . 4 1 1 A 60 60 GLY HA3 H 304 3.411 3.942 -0.531 1
1 708 . 4 1 1 A 60 60 GLY C C 304 173.480 173.959 -0.479 1
1 709 . 4 1 1 A 60 60 GLY CA C 304 45.955 46.398 -0.443 1
1 710 . 4 1 1 A 60 60 GLY N N 304 113.597 107.858 5.739 1
1 711 . 4 1 1 A 61 61 LEU H H 305 7.253 7.203 0.050 1
1 712 . 4 1 1 A 61 61 LEU HA H 305 4.396 4.950 -0.554 1
1 722 . 4 1 1 A 61 61 LEU CA C 305 54.825 54.069 0.756 1
1 723 . 4 1 1 A 61 61 LEU CB C 305 43.099 44.944 -1.845 1
1 727 . 4 1 1 A 61 61 LEU N N 305 128.081 120.721 7.360 1
1 728 . 4 1 1 A 62 62 HIS H H 306 8.294 9.155 -0.861 1
1 733 . 4 1 1 A 62 62 HIS N N 306 130.344 127.561 2.783 1
1 734 . 4 1 1 A 63 63 SER HA H 307 5.980 5.301 0.679 1
1 737 . 4 1 1 A 63 63 SER CA C 307 57.517 57.064 0.453 1
1 738 . 4 1 1 A 63 63 SER CB C 307 66.760 66.158 0.602 1
1 739 . 4 1 1 A 64 64 LEU H H 308 8.827 8.506 0.321 1
1 740 . 4 1 1 A 64 64 LEU HA H 308 4.657 4.518 0.139 1
1 750 . 4 1 1 A 64 64 LEU C C 308 174.337 174.803 -0.466 1
1 751 . 4 1 1 A 64 64 LEU CA C 308 54.386 53.767 0.619 1
1 752 . 4 1 1 A 64 64 LEU CB C 308 42.678 44.726 -2.048 1
1 756 . 4 1 1 A 65 65 ILE H H 309 9.009 8.820 0.189 1
1 757 . 4 1 1 A 65 65 ILE HA H 309 3.880 4.504 -0.624 1
1 767 . 4 1 1 A 65 65 ILE C C 309 173.963 174.932 -0.969 1
1 768 . 4 1 1 A 65 65 ILE CA C 309 60.296 60.122 0.174 1
1 769 . 4 1 1 A 65 65 ILE CB C 309 40.727 39.362 1.365 1
1 773 . 4 1 1 A 65 65 ILE N N 309 133.046 128.088 4.958 1
1 774 . 4 1 1 A 66 66 PHE H H 310 8.508 8.739 -0.231 1
1 775 . 4 1 1 A 66 66 PHE HA H 310 4.367 4.866 -0.499 1
1 783 . 4 1 1 A 66 66 PHE C C 310 174.555 175.617 -1.062 1
1 784 . 4 1 1 A 66 66 PHE CA C 310 54.878 56.038 -1.160 1
1 785 . 4 1 1 A 66 66 PHE CB C 310 38.819 40.051 -1.232 1
1 789 . 4 1 1 A 66 66 PHE N N 310 132.294 123.931 8.363 1
1 790 . 4 1 1 A 67 67 GLU H H 311 7.879 8.807 -0.928 1
1 791 . 4 1 1 A 67 67 GLU HA H 311 4.025 4.427 -0.402 1
1 796 . 4 1 1 A 67 67 GLU C C 311 177.819 177.223 0.596 1
1 797 . 4 1 1 A 67 67 GLU CA C 311 59.266 59.242 0.024 1
1 798 . 4 1 1 A 67 67 GLU CB C 311 30.421 30.413 0.008 1
1 800 . 4 1 1 A 67 67 GLU N N 311 127.092 124.067 3.025 1
1 801 . 4 1 1 A 68 68 VAL H H 312 7.428 7.620 -0.192 1
1 802 . 4 1 1 A 68 68 VAL HA H 312 3.402 4.501 -1.099 1
1 810 . 4 1 1 A 68 68 VAL C C 312 173.921 174.141 -0.220 1
1 811 . 4 1 1 A 68 68 VAL CA C 312 61.444 61.034 0.410 1
1 812 . 4 1 1 A 68 68 VAL CB C 312 34.790 32.876 1.914 1
1 815 . 4 1 1 A 68 68 VAL N N 312 120.315 116.735 3.580 1
1 816 . 4 1 1 A 69 69 VAL H H 313 8.233 8.725 -0.492 1
1 817 . 4 1 1 A 69 69 VAL HA H 313 3.829 4.247 -0.418 1
1 825 . 4 1 1 A 69 69 VAL C C 313 175.123 175.140 -0.017 1
1 826 . 4 1 1 A 69 69 VAL CA C 313 63.200 62.837 0.363 1
1 827 . 4 1 1 A 69 69 VAL CB C 313 32.836 32.537 0.299 1
1 830 . 4 1 1 A 69 69 VAL N N 313 132.928 128.790 4.138 1
1 831 . 4 1 1 A 70 70 ARG H H 314 9.259 8.984 0.275 1
1 832 . 4 1 1 A 70 70 ARG HA H 314 4.776 4.724 0.052 1
1 839 . 4 1 1 A 70 70 ARG C C 314 177.491 176.636 0.855 1
1 840 . 4 1 1 A 70 70 ARG CA C 314 53.728 53.964 -0.236 1
1 841 . 4 1 1 A 70 70 ARG CB C 314 34.282 33.092 1.190 1
1 844 . 4 1 1 A 70 70 ARG N N 314 133.209 127.797 5.412 1
1 845 . 4 1 1 A 71 71 ALA H H 315 9.059 8.871 0.188 1
1 846 . 4 1 1 A 71 71 ALA HA H 315 3.676 4.015 -0.339 1
1 850 . 4 1 1 A 71 71 ALA C C 315 180.122 179.745 0.377 1
1 851 . 4 1 1 A 71 71 ALA CA C 315 56.356 55.170 1.186 1
1 852 . 4 1 1 A 71 71 ALA CB C 315 17.923 18.428 -0.505 1
1 853 . 4 1 1 A 71 71 ALA N N 315 131.839 124.482 7.357 1
1 854 . 4 1 1 A 72 72 SER H H 316 7.735 7.972 -0.237 1
1 855 . 4 1 1 A 72 72 SER HA H 316 4.046 4.238 -0.192 1
1 858 . 4 1 1 A 72 72 SER C C 316 175.495 174.650 0.845 1
1 859 . 4 1 1 A 72 72 SER CA C 316 60.037 61.363 -1.326 1
1 860 . 4 1 1 A 72 72 SER CB C 316 62.381 63.128 -0.747 1
1 861 . 4 1 1 A 72 72 SER N N 316 115.841 113.850 1.991 1
1 862 . 4 1 1 A 73 73 ASP H H 317 8.175 7.918 0.257 1
1 863 . 4 1 1 A 73 73 ASP HA H 317 4.644 4.768 -0.124 1
1 866 . 4 1 1 A 73 73 ASP C C 317 176.176 176.160 0.016 1
1 867 . 4 1 1 A 73 73 ASP CA C 317 55.305 54.700 0.605 1
1 868 . 4 1 1 A 73 73 ASP CB C 317 42.572 41.398 1.174 1
1 869 . 4 1 1 A 73 73 ASP N N 317 126.327 118.991 7.336 1
1 870 . 4 1 1 A 74 74 ALA H H 318 7.339 7.006 0.333 1
1 871 . 4 1 1 A 74 74 ALA HA H 318 4.013 4.288 -0.275 1
1 875 . 4 1 1 A 74 74 ALA C C 318 176.813 177.171 -0.358 1
1 876 . 4 1 1 A 74 74 ALA CA C 318 53.570 53.045 0.525 1
1 877 . 4 1 1 A 74 74 ALA CB C 318 20.548 20.436 0.112 1
1 878 . 4 1 1 A 74 74 ALA N N 318 127.859 121.914 5.945 1
1 879 . 4 1 1 A 75 75 GLY H H 319 8.797 8.735 0.062 1
1 880 . 4 1 1 A 75 75 GLY HA2 H 319 3.599 4.074 -0.475 1
1 881 . 4 1 1 A 75 75 GLY HA3 H 319 4.239 4.139 0.100 1
1 882 . 4 1 1 A 75 75 GLY C C 319 170.102 172.058 -1.956 1
1 883 . 4 1 1 A 75 75 GLY CA C 319 45.105 44.274 0.831 1
1 884 . 4 1 1 A 75 75 GLY N N 319 114.261 107.124 7.137 1
1 885 . 4 1 1 A 76 76 ALA H H 320 7.621 8.109 -0.488 1
1 886 . 4 1 1 A 76 76 ALA HA H 320 4.521 4.720 -0.199 1
1 890 . 4 1 1 A 76 76 ALA C C 320 176.291 176.516 -0.225 1
1 891 . 4 1 1 A 76 76 ALA CA C 320 51.158 51.406 -0.248 1
1 892 . 4 1 1 A 76 76 ALA CB C 320 19.242 19.551 -0.309 1
1 893 . 4 1 1 A 76 76 ALA N N 320 129.042 122.812 6.230 1
1 894 . 4 1 1 A 77 77 TYR H H 321 9.406 8.983 0.423 1
1 895 . 4 1 1 A 77 77 TYR HA H 321 5.237 5.243 -0.006 1
1 903 . 4 1 1 A 77 77 TYR C C 321 175.676 176.015 -0.339 1
1 904 . 4 1 1 A 77 77 TYR CA C 321 57.779 58.065 -0.286 1
1 905 . 4 1 1 A 77 77 TYR CB C 321 40.623 40.118 0.505 1
1 908 . 4 1 1 A 77 77 TYR N N 321 132.635 124.305 8.330 1
1 909 . 4 1 1 A 78 78 ALA H H 322 9.084 8.991 0.093 1
1 910 . 4 1 1 A 78 78 ALA HA H 322 5.031 5.304 -0.273 1
1 914 . 4 1 1 A 78 78 ALA CA C 322 50.120 51.380 -1.260 1
1 915 . 4 1 1 A 78 78 ALA CB C 322 21.653 24.304 -2.651 1
1 916 . 4 1 1 A 78 78 ALA N N 322 130.291 122.364 7.927 1
1 917 . 4 1 1 A 79 79 CYS H H 323 7.932 8.867 -0.935 1
1 918 . 4 1 1 A 79 79 CYS HA H 323 4.037 4.833 -0.796 1
1 919 . 4 1 1 A 79 79 CYS C C 323 173.727 172.960 0.767 1
1 920 . 4 1 1 A 79 79 CYS CA C 323 56.345 57.107 -0.762 1
1 921 . 4 1 1 A 80 80 VAL H H 324 8.671 9.110 -0.439 1
1 922 . 4 1 1 A 80 80 VAL HA H 324 4.596 4.600 -0.004 1
1 930 . 4 1 1 A 80 80 VAL C C 324 174.904 175.022 -0.118 1
1 931 . 4 1 1 A 80 80 VAL CA C 324 60.907 61.341 -0.434 1
1 932 . 4 1 1 A 80 80 VAL CB C 324 34.334 33.364 0.970 1
1 934 . 4 1 1 A 80 80 VAL N N 324 135.079 127.175 7.904 1
1 935 . 4 1 1 A 81 81 ALA H H 325 9.107 8.964 0.143 1
1 936 . 4 1 1 A 81 81 ALA HA H 325 5.220 5.307 -0.087 1
1 940 . 4 1 1 A 81 81 ALA C C 325 175.446 176.001 -0.555 1
1 941 . 4 1 1 A 81 81 ALA CA C 325 49.197 50.466 -1.269 1
1 942 . 4 1 1 A 81 81 ALA CB C 325 22.479 21.454 1.025 1
1 943 . 4 1 1 A 81 81 ALA N N 325 136.369 128.956 7.413 1
1 944 . 4 1 1 A 82 82 LYS H H 326 8.734 8.863 -0.129 1
1 945 . 4 1 1 A 82 82 LYS HA H 326 5.021 5.216 -0.195 1
1 954 . 4 1 1 A 82 82 LYS C C 326 175.054 175.203 -0.149 1
1 955 . 4 1 1 A 82 82 LYS CA C 326 55.451 54.698 0.753 1
1 956 . 4 1 1 A 82 82 LYS CB C 326 37.852 36.356 1.496 1
1 960 . 4 1 1 A 82 82 LYS N N 326 128.038 122.620 5.418 1
1 961 . 4 1 1 A 83 83 ASN H H 327 8.949 8.779 0.170 1
1 962 . 4 1 1 A 83 83 ASN HA H 327 4.624 5.141 -0.517 1
1 967 . 4 1 1 A 83 83 ASN C C 327 176.409 175.289 1.120 1
1 968 . 4 1 1 A 83 83 ASN CA C 327 51.838 51.442 0.396 1
1 969 . 4 1 1 A 83 83 ASN CB C 327 40.927 39.605 1.322 1
1 970 . 4 1 1 A 83 83 ASN N N 327 128.769 121.520 7.249 1
1 972 . 4 1 1 A 84 84 ARG H H 328 8.203 9.142 -0.939 1
1 973 . 4 1 1 A 84 84 ARG HA H 328 3.917 4.078 -0.161 1
1 981 . 4 1 1 A 84 84 ARG C C 328 175.820 176.270 -0.450 1
1 982 . 4 1 1 A 84 84 ARG CA C 328 58.250 58.070 0.180 1
1 983 . 4 1 1 A 84 84 ARG CB C 328 29.985 29.649 0.336 1
1 986 . 4 1 1 A 84 84 ARG N N 328 121.021 117.773 3.248 1
1 988 . 4 1 1 A 85 85 ALA H H 329 7.599 8.018 -0.419 1
1 989 . 4 1 1 A 85 85 ALA HA H 329 4.279 4.442 -0.163 1
1 993 . 4 1 1 A 85 85 ALA C C 329 177.261 177.077 0.184 1
1 994 . 4 1 1 A 85 85 ALA CA C 329 51.905 52.120 -0.215 1
1 995 . 4 1 1 A 85 85 ALA CB C 329 19.637 20.477 -0.840 1
1 996 . 4 1 1 A 85 85 ALA N N 329 125.074 121.581 3.493 1
1 997 . 4 1 1 A 86 86 GLY H H 330 7.624 7.191 0.433 1
1 998 . 4 1 1 A 86 86 GLY HA2 H 330 3.806 4.046 -0.240 1
1 999 . 4 1 1 A 86 86 GLY HA3 H 330 4.164 4.046 0.118 1
1 1000 . 4 1 1 A 86 86 GLY C C 330 169.646 170.873 -1.227 1
1 1001 . 4 1 1 A 86 86 GLY CA C 330 46.012 46.021 -0.009 1
1 1002 . 4 1 1 A 86 86 GLY N N 330 112.891 103.169 9.722 1
1 1003 . 4 1 1 A 87 87 GLU H H 331 8.213 8.472 -0.259 1
1 1004 . 4 1 1 A 87 87 GLU HA H 331 5.274 5.246 0.028 1
1 1009 . 4 1 1 A 87 87 GLU C C 331 174.418 174.637 -0.219 1
1 1010 . 4 1 1 A 87 87 GLU CA C 331 54.349 54.971 -0.622 1
1 1011 . 4 1 1 A 87 87 GLU CB C 331 34.615 33.534 1.081 1
1 1013 . 4 1 1 A 87 87 GLU N N 331 123.208 120.219 2.989 1
1 1014 . 4 1 1 A 88 88 ALA H H 332 8.897 8.791 0.106 1
1 1015 . 4 1 1 A 88 88 ALA HA H 332 4.569 4.247 0.322 1
1 1019 . 4 1 1 A 88 88 ALA C C 332 175.121 174.709 0.412 1
1 1020 . 4 1 1 A 88 88 ALA CA C 332 51.592 50.225 1.367 1
1 1021 . 4 1 1 A 88 88 ALA CB C 332 23.324 23.556 -0.232 1
1 1022 . 4 1 1 A 88 88 ALA N N 332 131.757 125.740 6.017 1
1 1023 . 4 1 1 A 89 89 THR H H 333 8.521 7.413 1.108 1
1 1024 . 4 1 1 A 89 89 THR HA H 333 5.661 4.857 0.804 1
1 1029 . 4 1 1 A 89 89 THR C C 333 173.827 173.050 0.777 1
1 1030 . 4 1 1 A 89 89 THR CA C 333 60.601 60.818 -0.217 1
1 1031 . 4 1 1 A 89 89 THR CB C 333 72.140 71.979 0.161 1
1 1033 . 4 1 1 A 89 89 THR N N 333 121.100 113.303 7.797 1
1 1034 . 4 1 1 A 90 90 PHE H H 334 8.603 8.801 -0.198 1
1 1035 . 4 1 1 A 90 90 PHE HA H 334 4.624 5.349 -0.725 1
1 1043 . 4 1 1 A 90 90 PHE CA C 334 56.618 56.088 0.530 1
1 1044 . 4 1 1 A 90 90 PHE CB C 334 42.489 43.638 -1.149 1
1 1048 . 4 1 1 A 91 91 THR H H 335 8.174 8.884 -0.710 1
1 1049 . 4 1 1 A 91 91 THR HA H 335 5.445 5.229 0.216 1
1 1054 . 4 1 1 A 91 91 THR CA C 335 60.110 61.499 -1.389 1
1 1055 . 4 1 1 A 91 91 THR CB C 335 71.671 72.286 -0.615 1
1 1057 . 4 1 1 A 92 92 VAL H H 336 9.158 8.908 0.250 1
1 1058 . 4 1 1 A 92 92 VAL HA H 336 4.432 4.940 -0.508 1
1 1066 . 4 1 1 A 92 92 VAL C C 336 171.594 172.888 -1.294 1
1 1067 . 4 1 1 A 92 92 VAL CA C 336 60.914 60.437 0.477 1
1 1068 . 4 1 1 A 92 92 VAL CB C 336 35.760 35.747 0.013 1
1 1071 . 4 1 1 A 92 92 VAL N N 336 130.220 122.086 8.134 1
1 1072 . 4 1 1 A 93 93 GLN H H 337 8.302 8.974 -0.672 1
1 1073 . 4 1 1 A 93 93 GLN HA H 337 4.756 5.399 -0.643 1
1 1080 . 4 1 1 A 93 93 GLN C C 337 174.009 173.792 0.217 1
1 1081 . 4 1 1 A 93 93 GLN CA C 337 54.672 54.354 0.318 1
1 1082 . 4 1 1 A 93 93 GLN CB C 337 30.071 32.018 -1.947 1
1 1084 . 4 1 1 A 93 93 GLN N N 337 133.412 126.858 6.554 1
1 1086 . 4 1 1 A 94 94 LEU H H 338 8.812 9.288 -0.476 1
1 1087 . 4 1 1 A 94 94 LEU HA H 338 4.836 4.969 -0.133 1
1 1097 . 4 1 1 A 94 94 LEU C C 338 175.099 174.578 0.521 1
1 1098 . 4 1 1 A 94 94 LEU CA C 338 53.725 53.792 -0.067 1
1 1099 . 4 1 1 A 94 94 LEU CB C 338 44.955 44.944 0.011 1
1 1103 . 4 1 1 A 94 94 LEU N N 338 133.816 127.528 6.288 1
1 1104 . 4 1 1 A 95 95 ASP H H 339 8.747 9.254 -0.507 1
1 1105 . 4 1 1 A 95 95 ASP HA H 339 4.871 4.803 0.068 1
1 1108 . 4 1 1 A 95 95 ASP C C 339 174.295 174.716 -0.421 1
1 1109 . 4 1 1 A 95 95 ASP CA C 339 53.311 52.965 0.346 1
1 1110 . 4 1 1 A 95 95 ASP CB C 339 42.895 40.379 2.516 1
1 1111 . 4 1 1 A 95 95 ASP N N 339 134.770 128.466 6.304 1
1 1112 . 4 1 1 A 96 96 VAL H H 340 7.745 7.982 -0.237 1
1 1113 . 4 1 1 A 96 96 VAL HA H 340 4.653 4.056 0.597 1
1 1121 . 4 1 1 A 96 96 VAL C C 340 175.494 175.553 -0.059 1
1 1122 . 4 1 1 A 96 96 VAL CA C 340 60.722 62.963 -2.241 1
1 1123 . 4 1 1 A 96 96 VAL CB C 340 33.852 31.587 2.265 1
1 1126 . 4 1 1 A 96 96 VAL N N 340 128.328 125.221 3.107 1
1 1127 . 4 1 1 A 97 97 LEU H H 341 8.524 8.877 -0.353 1
1 1128 . 4 1 1 A 97 97 LEU HA H 341 4.243 4.610 -0.367 1
1 1138 . 4 1 1 A 97 97 LEU C C 341 176.052 176.402 -0.350 1
1 1139 . 4 1 1 A 97 97 LEU CA C 341 54.086 54.321 -0.235 1
1 1140 . 4 1 1 A 97 97 LEU CB C 341 41.446 41.097 0.349 1
1 1144 . 4 1 1 A 97 97 LEU N N 341 136.554 129.580 6.974 1
1 1145 . 4 1 1 A 98 98 ALA H H 342 8.344 8.434 -0.090 1
1 1146 . 4 1 1 A 98 98 ALA HA H 342 4.227 4.298 -0.071 1
1 1150 . 4 1 1 A 98 98 ALA C C 342 177.569 176.993 0.576 1
1 1151 . 4 1 1 A 98 98 ALA CA C 342 51.964 53.021 -1.057 1
1 1152 . 4 1 1 A 98 98 ALA CB C 342 19.976 19.284 0.692 1
1 1153 . 4 1 1 A 98 98 ALA N N 342 134.558 128.069 6.489 1
1 1154 . 4 1 1 A 99 99 LYS H H 343 8.552 8.679 -0.127 1
1 1155 . 4 1 1 A 99 99 LYS HA H 343 4.119 4.679 -0.560 1
1 1164 . 4 1 1 A 99 99 LYS C C 343 175.859 175.872 -0.013 1
1 1165 . 4 1 1 A 99 99 LYS CA C 343 56.453 55.251 1.202 1
1 1166 . 4 1 1 A 99 99 LYS CB C 343 33.257 32.683 0.574 1
1 1170 . 4 1 1 A 99 99 LYS N N 343 128.906 122.219 6.687 1
1 4 . 5 1 1 A 2 2 ALA HA H -3 4.167 4.441 -0.274 1
1 8 . 5 1 1 A 2 2 ALA C C -3 177.254 177.054 0.200 1
1 9 . 5 1 1 A 2 2 ALA CA C -3 52.427 52.200 0.227 1
1 10 . 5 1 1 A 2 2 ALA CB C -3 19.740 19.977 -0.237 1
1 11 . 5 1 1 A 3 3 MET H H -2 8.135 8.614 -0.479 1
1 12 . 5 1 1 A 3 3 MET HA H -2 4.351 4.927 -0.576 1
1 20 . 5 1 1 A 3 3 MET C C -2 176.007 174.541 1.466 1
1 21 . 5 1 1 A 3 3 MET CA C -2 55.444 53.610 1.834 1
1 22 . 5 1 1 A 3 3 MET CB C -2 34.277 36.042 -1.765 1
1 25 . 5 1 1 A 3 3 MET N N -2 125.628 115.638 9.990 1
1 43 . 5 1 1 A 6 6 PRO HA H 250 4.591 4.582 0.009 1
1 50 . 5 1 1 A 6 6 PRO C C 250 175.444 175.727 -0.283 1
1 51 . 5 1 1 A 6 6 PRO CA C 250 61.829 62.749 -0.920 1
1 52 . 5 1 1 A 6 6 PRO CB C 250 32.464 32.373 0.091 1
1 55 . 5 1 1 A 7 7 ARG H H 251 7.588 8.524 -0.936 1
1 56 . 5 1 1 A 7 7 ARG HA H 251 4.078 4.502 -0.424 1
1 64 . 5 1 1 A 7 7 ARG C C 251 175.065 175.468 -0.403 1
1 65 . 5 1 1 A 7 7 ARG CA C 251 54.552 54.015 0.537 1
1 66 . 5 1 1 A 7 7 ARG CB C 251 33.587 34.932 -1.345 1
1 69 . 5 1 1 A 7 7 ARG N N 251 124.900 121.153 3.747 1
1 71 . 5 1 1 A 8 8 PHE H H 252 8.893 8.767 0.126 1
1 72 . 5 1 1 A 8 8 PHE HA H 252 4.708 4.913 -0.205 1
1 80 . 5 1 1 A 8 8 PHE CA C 252 59.744 57.046 2.698 1
1 81 . 5 1 1 A 8 8 PHE CB C 252 39.263 37.196 2.067 1
1 85 . 5 1 1 A 8 8 PHE N N 252 128.828 120.327 8.501 1
1 86 . 5 1 1 A 9 9 ILE H H 253 8.223 8.470 -0.247 1
1 87 . 5 1 1 A 9 9 ILE HA H 253 4.090 4.084 0.006 1
1 97 . 5 1 1 A 9 9 ILE C C 253 175.698 176.469 -0.771 1
1 98 . 5 1 1 A 9 9 ILE CA C 253 61.230 63.600 -2.370 1
1 99 . 5 1 1 A 9 9 ILE CB C 253 39.165 38.486 0.679 1
1 103 . 5 1 1 A 9 9 ILE N N 253 128.239 126.491 1.748 1
1 104 . 5 1 1 A 10 10 GLN H H 254 7.437 7.433 0.004 1
1 105 . 5 1 1 A 10 10 GLN HA H 254 4.450 4.776 -0.326 1
1 112 . 5 1 1 A 10 10 GLN C C 254 174.149 173.869 0.280 1
1 113 . 5 1 1 A 10 10 GLN CA C 254 56.197 55.590 0.607 1
1 114 . 5 1 1 A 10 10 GLN CB C 254 32.367 32.013 0.354 1
1 116 . 5 1 1 A 10 10 GLN N N 254 127.323 116.967 10.356 1
1 118 . 5 1 1 A 11 11 VAL H H 255 8.283 8.866 -0.583 1
1 119 . 5 1 1 A 11 11 VAL HA H 255 4.185 4.518 -0.333 1
1 127 . 5 1 1 A 11 11 VAL CA C 255 57.931 58.337 -0.406 1
1 128 . 5 1 1 A 11 11 VAL CB C 255 33.230 33.316 -0.086 1
1 131 . 5 1 1 A 11 11 VAL N N 255 126.734 121.536 5.198 1
1 132 . 5 1 1 A 12 12 PRO HA H 256 4.538 4.411 0.127 1
1 139 . 5 1 1 A 12 12 PRO CA C 256 62.209 62.131 0.078 1
1 140 . 5 1 1 A 12 12 PRO CB C 256 31.724 32.084 -0.360 1
1 143 . 5 1 1 A 13 13 GLU H H 257 7.870 8.517 -0.647 1
1 144 . 5 1 1 A 13 13 GLU HA H 257 4.257 4.501 -0.244 1
1 149 . 5 1 1 A 13 13 GLU CA C 257 54.764 56.134 -1.370 1
1 150 . 5 1 1 A 13 13 GLU CB C 257 31.690 30.627 1.063 1
1 152 . 5 1 1 A 13 13 GLU N N 257 124.369 120.482 3.887 1
1 153 . 5 1 1 A 14 14 ASN H H 258 8.133 8.624 -0.491 1
1 154 . 5 1 1 A 14 14 ASN HA H 258 4.639 4.805 -0.166 1
1 159 . 5 1 1 A 14 14 ASN CA C 258 54.285 53.135 1.150 1
1 160 . 5 1 1 A 14 14 ASN CB C 258 38.023 38.818 -0.795 1
1 161 . 5 1 1 A 14 14 ASN N N 258 123.151 120.322 2.829 1
1 163 . 5 1 1 A 15 15 MET H H 259 8.295 8.684 -0.389 1
1 164 . 5 1 1 A 15 15 MET HA H 259 4.695 5.239 -0.544 1
1 172 . 5 1 1 A 15 15 MET C C 259 174.675 174.008 0.667 1
1 173 . 5 1 1 A 15 15 MET CA C 259 55.153 53.822 1.331 1
1 174 . 5 1 1 A 15 15 MET CB C 259 38.064 37.224 0.840 1
1 177 . 5 1 1 A 15 15 MET N N 259 125.442 120.560 4.882 1
1 178 . 5 1 1 A 16 16 SER H H 260 8.332 8.814 -0.482 1
1 179 . 5 1 1 A 16 16 SER HA H 260 5.261 5.470 -0.209 1
1 182 . 5 1 1 A 16 16 SER C C 260 172.889 173.066 -0.177 1
1 183 . 5 1 1 A 16 16 SER CA C 260 56.748 57.089 -0.341 1
1 184 . 5 1 1 A 16 16 SER CB C 260 64.170 64.852 -0.682 1
1 185 . 5 1 1 A 16 16 SER N N 260 125.417 114.079 11.338 1
1 186 . 5 1 1 A 17 17 ILE H H 261 8.394 8.738 -0.344 1
1 187 . 5 1 1 A 17 17 ILE HA H 261 4.366 4.537 -0.171 1
1 197 . 5 1 1 A 17 17 ILE C C 261 173.465 175.268 -1.803 1
1 198 . 5 1 1 A 17 17 ILE CA C 261 57.461 60.258 -2.797 1
1 199 . 5 1 1 A 17 17 ILE CB C 261 41.882 40.985 0.897 1
1 203 . 5 1 1 A 17 17 ILE N N 261 131.680 126.197 5.483 1
1 204 . 5 1 1 A 18 18 ASP H H 262 8.043 8.740 -0.697 1
1 205 . 5 1 1 A 18 18 ASP HA H 262 4.498 4.497 0.001 1
1 208 . 5 1 1 A 18 18 ASP C C 262 174.970 175.869 -0.899 1
1 209 . 5 1 1 A 18 18 ASP CA C 262 54.962 54.723 0.239 1
1 210 . 5 1 1 A 18 18 ASP CB C 262 41.518 41.117 0.401 1
1 211 . 5 1 1 A 18 18 ASP N N 262 132.455 127.755 4.700 1
1 212 . 5 1 1 A 19 19 GLU H H 263 8.058 8.686 -0.628 1
1 213 . 5 1 1 A 19 19 GLU HA H 263 3.322 3.881 -0.559 1
1 218 . 5 1 1 A 19 19 GLU C C 263 176.656 177.301 -0.645 1
1 219 . 5 1 1 A 19 19 GLU CA C 263 58.351 58.245 0.106 1
1 220 . 5 1 1 A 19 19 GLU CB C 263 29.716 29.298 0.418 1
1 222 . 5 1 1 A 19 19 GLU N N 263 126.424 124.965 1.459 1
1 223 . 5 1 1 A 20 20 GLY H H 264 9.131 9.096 0.035 1
1 224 . 5 1 1 A 20 20 GLY HA2 H 264 3.366 3.990 -0.624 1
1 225 . 5 1 1 A 20 20 GLY HA3 H 264 4.196 3.993 0.203 1
1 226 . 5 1 1 A 20 20 GLY C C 264 174.582 174.758 -0.176 1
1 227 . 5 1 1 A 20 20 GLY CA C 264 44.837 45.059 -0.222 1
1 228 . 5 1 1 A 20 20 GLY N N 264 119.124 114.921 4.203 1
1 229 . 5 1 1 A 21 21 ARG H H 265 7.192 7.386 -0.194 1
1 230 . 5 1 1 A 21 21 ARG HA H 265 4.377 4.441 -0.064 1
1 238 . 5 1 1 A 21 21 ARG C C 265 174.091 175.800 -1.709 1
1 239 . 5 1 1 A 21 21 ARG CA C 265 55.263 56.036 -0.773 1
1 240 . 5 1 1 A 21 21 ARG CB C 265 31.467 31.758 -0.291 1
1 243 . 5 1 1 A 21 21 ARG N N 265 126.182 120.364 5.818 1
1 245 . 5 1 1 A 22 22 PHE H H 266 7.699 8.839 -1.140 1
1 246 . 5 1 1 A 22 22 PHE HA H 266 4.688 4.956 -0.268 1
1 254 . 5 1 1 A 22 22 PHE C C 266 175.911 174.776 1.135 1
1 255 . 5 1 1 A 22 22 PHE CA C 266 57.132 59.140 -2.008 1
1 256 . 5 1 1 A 22 22 PHE CB C 266 41.270 40.105 1.165 1
1 260 . 5 1 1 A 22 22 PHE N N 266 127.111 122.515 4.596 1
1 261 . 5 1 1 A 23 23 CYS H H 267 8.140 8.284 -0.144 1
1 262 . 5 1 1 A 23 23 CYS HA H 267 4.282 5.107 -0.825 1
1 265 . 5 1 1 A 23 23 CYS C C 267 170.233 172.527 -2.294 1
1 266 . 5 1 1 A 23 23 CYS CA C 267 57.626 56.357 1.269 1
1 267 . 5 1 1 A 23 23 CYS CB C 267 30.411 32.002 -1.591 1
1 268 . 5 1 1 A 23 23 CYS N N 267 130.194 124.464 5.730 1
1 269 . 5 1 1 A 24 24 ARG H H 268 8.160 8.955 -0.795 1
1 270 . 5 1 1 A 24 24 ARG HA H 268 5.167 5.257 -0.090 1
1 278 . 5 1 1 A 24 24 ARG CA C 268 53.910 53.995 -0.085 1
1 279 . 5 1 1 A 24 24 ARG CB C 268 35.114 34.651 0.463 1
1 283 . 5 1 1 A 25 25 MET H H 269 8.839 8.766 0.073 1
1 284 . 5 1 1 A 25 25 MET HA H 269 4.518 5.158 -0.640 1
1 292 . 5 1 1 A 25 25 MET C C 269 174.090 174.188 -0.098 1
1 293 . 5 1 1 A 25 25 MET CA C 269 54.960 54.336 0.624 1
1 294 . 5 1 1 A 25 25 MET CB C 269 35.645 36.952 -1.307 1
1 297 . 5 1 1 A 25 25 MET N N 269 127.757 119.210 8.547 1
1 298 . 5 1 1 A 26 26 ASP H H 270 8.473 8.827 -0.354 1
1 299 . 5 1 1 A 26 26 ASP HA H 270 5.772 5.522 0.250 1
1 302 . 5 1 1 A 26 26 ASP CA C 270 53.157 52.905 0.252 1
1 303 . 5 1 1 A 26 26 ASP CB C 270 43.595 44.455 -0.860 1
1 304 . 5 1 1 A 26 26 ASP N N 270 129.880 122.391 7.489 1
1 305 . 5 1 1 A 27 27 PHE H H 271 9.180 9.421 -0.241 1
1 306 . 5 1 1 A 27 27 PHE HA H 271 5.014 4.886 0.128 1
1 314 . 5 1 1 A 27 27 PHE CA C 271 55.904 56.298 -0.394 1
1 317 . 5 1 1 A 27 27 PHE N N 271 123.116 121.094 2.022 1
1 318 . 5 1 1 A 28 28 LYS H H 272 9.221 8.430 0.791 1
1 327 . 5 1 1 A 28 28 LYS CA C 272 59.294 56.560 2.734 1
1 328 . 5 1 1 A 28 28 LYS CB C 272 38.090 32.833 5.257 1
1 332 . 5 1 1 A 28 28 LYS N N 272 131.321 125.561 5.760 1
1 333 . 5 1 1 A 29 29 VAL H H 273 8.304 9.003 -0.699 1
1 334 . 5 1 1 A 29 29 VAL HA H 273 4.331 4.764 -0.433 1
1 342 . 5 1 1 A 29 29 VAL C C 273 175.240 173.911 1.329 1
1 343 . 5 1 1 A 29 29 VAL CA C 273 61.020 60.275 0.745 1
1 344 . 5 1 1 A 29 29 VAL CB C 273 33.889 33.999 -0.110 1
1 347 . 5 1 1 A 30 30 SER H H 274 8.545 8.506 0.039 1
1 348 . 5 1 1 A 30 30 SER HA H 274 4.647 4.537 0.110 1
1 351 . 5 1 1 A 30 30 SER C C 274 172.993 174.272 -1.279 1
1 352 . 5 1 1 A 30 30 SER CA C 274 56.505 58.240 -1.735 1
1 353 . 5 1 1 A 30 30 SER CB C 274 65.805 64.481 1.324 1
1 354 . 5 1 1 A 30 30 SER N N 274 129.796 125.606 4.190 1
1 355 . 5 1 1 A 31 31 GLY H H 275 7.712 8.570 -0.858 1
1 356 . 5 1 1 A 31 31 GLY HA2 H 275 3.220 4.141 -0.921 1
1 357 . 5 1 1 A 31 31 GLY HA3 H 275 3.649 4.146 -0.497 1
1 358 . 5 1 1 A 31 31 GLY C C 275 170.984 171.981 -0.997 1
1 359 . 5 1 1 A 31 31 GLY CA C 275 45.099 44.244 0.855 1
1 360 . 5 1 1 A 31 31 GLY N N 275 115.009 111.661 3.348 1
1 361 . 5 1 1 A 32 32 LEU H H 276 7.668 8.409 -0.741 1
1 362 . 5 1 1 A 32 32 LEU HA H 276 4.301 4.881 -0.580 1
1 372 . 5 1 1 A 32 32 LEU C C 276 173.812 174.617 -0.805 1
1 373 . 5 1 1 A 32 32 LEU CA C 276 52.370 51.707 0.663 1
1 374 . 5 1 1 A 32 32 LEU CB C 276 45.554 46.026 -0.472 1
1 378 . 5 1 1 A 32 32 LEU N N 276 129.727 121.008 8.719 1
1 379 . 5 1 1 A 33 33 PRO HA H 277 4.416 4.580 -0.164 1
1 386 . 5 1 1 A 33 33 PRO CA C 277 62.576 62.380 0.196 1
1 387 . 5 1 1 A 33 33 PRO CB C 277 35.012 32.573 2.439 1
1 390 . 5 1 1 A 34 34 ALA H H 278 8.598 8.325 0.273 1
1 391 . 5 1 1 A 34 34 ALA HA H 278 4.153 4.320 -0.167 1
1 395 . 5 1 1 A 34 34 ALA CA C 278 50.822 50.674 0.148 1
1 396 . 5 1 1 A 34 34 ALA CB C 278 17.462 18.950 -1.488 1
1 397 . 5 1 1 A 34 34 ALA N N 278 131.518 124.318 7.200 1
1 398 . 5 1 1 A 35 35 PRO HA H 279 4.206 4.498 -0.292 1
1 405 . 5 1 1 A 35 35 PRO C C 279 175.701 176.100 -0.399 1
1 406 . 5 1 1 A 35 35 PRO CA C 279 62.628 62.316 0.312 1
1 407 . 5 1 1 A 35 35 PRO CB C 279 33.069 32.236 0.833 1
1 410 . 5 1 1 A 36 36 ASP H H 280 8.621 8.557 0.064 1
1 411 . 5 1 1 A 36 36 ASP HA H 280 4.659 4.761 -0.102 1
1 414 . 5 1 1 A 36 36 ASP C C 280 176.057 175.749 0.308 1
1 415 . 5 1 1 A 36 36 ASP CA C 280 54.307 54.570 -0.263 1
1 416 . 5 1 1 A 36 36 ASP CB C 280 42.741 41.539 1.202 1
1 417 . 5 1 1 A 36 36 ASP N N 280 127.555 121.307 6.248 1
1 418 . 5 1 1 A 37 37 VAL H H 281 8.635 8.455 0.180 1
1 419 . 5 1 1 A 37 37 VAL HA H 281 4.938 4.826 0.112 1
1 427 . 5 1 1 A 37 37 VAL CA C 281 61.135 60.248 0.887 1
1 428 . 5 1 1 A 37 37 VAL CB C 281 34.579 34.741 -0.162 1
1 431 . 5 1 1 A 38 38 SER H H 282 8.591 8.700 -0.109 1
1 432 . 5 1 1 A 38 38 SER HA H 282 4.518 5.215 -0.697 1
1 435 . 5 1 1 A 38 38 SER CA C 282 57.540 57.605 -0.065 1
1 436 . 5 1 1 A 38 38 SER CB C 282 66.530 65.332 1.198 1
1 437 . 5 1 1 A 38 38 SER N N 282 128.264 124.998 3.266 1
1 438 . 5 1 1 A 39 39 TRP H H 283 8.426 8.881 -0.455 1
1 439 . 5 1 1 A 39 39 TRP HA H 283 5.297 5.352 -0.055 1
1 448 . 5 1 1 A 39 39 TRP CA C 283 56.298 57.083 -0.785 1
1 449 . 5 1 1 A 39 39 TRP CB C 283 33.153 31.290 1.863 1
1 455 . 5 1 1 A 39 39 TRP N N 283 127.698 127.931 -0.233 1
1 456 . 5 1 1 A 40 40 TYR H H 284 9.373 9.343 0.030 1
1 457 . 5 1 1 A 40 40 TYR HA H 284 4.903 5.473 -0.570 1
1 464 . 5 1 1 A 40 40 TYR C C 284 174.148 174.616 -0.468 1
1 465 . 5 1 1 A 40 40 TYR CA C 284 56.849 56.273 0.576 1
1 466 . 5 1 1 A 40 40 TYR CB C 284 42.754 43.301 -0.547 1
1 469 . 5 1 1 A 40 40 TYR N N 284 125.437 120.173 5.264 1
1 470 . 5 1 1 A 41 41 LEU H H 285 8.898 9.160 -0.262 1
1 471 . 5 1 1 A 41 41 LEU HA H 285 4.255 4.588 -0.333 1
1 481 . 5 1 1 A 41 41 LEU C C 285 176.606 175.501 1.105 1
1 482 . 5 1 1 A 41 41 LEU CA C 285 53.659 53.920 -0.261 1
1 483 . 5 1 1 A 41 41 LEU CB C 285 43.740 44.710 -0.970 1
1 487 . 5 1 1 A 41 41 LEU N N 285 129.512 122.832 6.680 1
1 488 . 5 1 1 A 42 42 ASN H H 286 9.454 9.482 -0.028 1
1 489 . 5 1 1 A 42 42 ASN HA H 286 4.221 4.426 -0.205 1
1 494 . 5 1 1 A 42 42 ASN C C 286 175.692 175.287 0.405 1
1 495 . 5 1 1 A 42 42 ASN CA C 286 54.239 54.408 -0.169 1
1 496 . 5 1 1 A 42 42 ASN CB C 286 37.331 37.073 0.258 1
1 497 . 5 1 1 A 42 42 ASN N N 286 134.097 126.429 7.668 1
1 499 . 5 1 1 A 43 43 GLY H H 287 8.709 8.374 0.335 1
1 500 . 5 1 1 A 43 43 GLY HA2 H 287 3.356 3.937 -0.581 1
1 501 . 5 1 1 A 43 43 GLY HA3 H 287 3.995 3.943 0.052 1
1 502 . 5 1 1 A 43 43 GLY C C 287 173.786 174.362 -0.576 1
1 503 . 5 1 1 A 43 43 GLY CA C 287 45.450 45.139 0.311 1
1 504 . 5 1 1 A 43 43 GLY N N 287 108.807 104.935 3.872 1
1 505 . 5 1 1 A 44 44 ARG H H 288 7.902 7.524 0.378 1
1 506 . 5 1 1 A 44 44 ARG HA H 288 4.697 4.636 0.061 1
1 514 . 5 1 1 A 44 44 ARG C C 288 175.799 176.475 -0.676 1
1 515 . 5 1 1 A 44 44 ARG CA C 288 54.658 54.910 -0.252 1
1 516 . 5 1 1 A 44 44 ARG CB C 288 32.436 31.587 0.849 1
1 519 . 5 1 1 A 44 44 ARG N N 288 127.837 120.248 7.589 1
1 521 . 5 1 1 A 45 45 THR H H 289 8.539 8.698 -0.159 1
1 522 . 5 1 1 A 45 45 THR HA H 289 3.763 4.152 -0.389 1
1 527 . 5 1 1 A 45 45 THR C C 289 174.692 174.484 0.208 1
1 528 . 5 1 1 A 45 45 THR CA C 289 63.977 62.048 1.929 1
1 529 . 5 1 1 A 45 45 THR CB C 289 69.706 69.750 -0.044 1
1 531 . 5 1 1 A 45 45 THR N N 289 126.100 113.737 12.363 1
1 532 . 5 1 1 A 46 46 VAL H H 290 8.033 8.304 -0.271 1
1 533 . 5 1 1 A 46 46 VAL HA H 290 3.647 4.512 -0.865 1
1 541 . 5 1 1 A 46 46 VAL C C 290 174.672 175.462 -0.790 1
1 542 . 5 1 1 A 46 46 VAL CA C 290 62.458 61.438 1.020 1
1 543 . 5 1 1 A 46 46 VAL CB C 290 32.500 34.331 -1.831 1
1 546 . 5 1 1 A 46 46 VAL N N 290 134.795 121.650 13.145 1
1 547 . 5 1 1 A 47 47 GLN H H 291 8.124 8.635 -0.511 1
1 548 . 5 1 1 A 47 47 GLN HA H 291 4.281 4.313 -0.032 1
1 555 . 5 1 1 A 47 47 GLN C C 291 175.398 175.472 -0.074 1
1 556 . 5 1 1 A 47 47 GLN CA C 291 54.235 56.054 -1.819 1
1 557 . 5 1 1 A 47 47 GLN CB C 291 30.283 29.555 0.728 1
1 559 . 5 1 1 A 47 47 GLN N N 291 132.792 127.198 5.594 1
1 561 . 5 1 1 A 48 48 SER H H 292 8.280 8.548 -0.268 1
1 562 . 5 1 1 A 48 48 SER HA H 292 4.308 4.531 -0.223 1
1 565 . 5 1 1 A 48 48 SER C C 292 174.304 173.477 0.827 1
1 566 . 5 1 1 A 48 48 SER CA C 292 58.222 58.208 0.014 1
1 567 . 5 1 1 A 48 48 SER CB C 292 63.719 64.345 -0.626 1
1 568 . 5 1 1 A 48 48 SER N N 292 123.481 116.283 7.198 1
1 569 . 5 1 1 A 49 49 ASP H H 293 9.050 8.688 0.362 1
1 570 . 5 1 1 A 49 49 ASP HA H 293 4.482 5.068 -0.586 1
1 573 . 5 1 1 A 49 49 ASP C C 293 176.099 175.612 0.487 1
1 574 . 5 1 1 A 49 49 ASP CA C 293 53.668 53.011 0.657 1
1 575 . 5 1 1 A 49 49 ASP CB C 293 40.100 44.296 -4.196 1
1 576 . 5 1 1 A 49 49 ASP N N 293 131.157 121.707 9.450 1
1 577 . 5 1 1 A 50 50 ASP H H 294 8.324 8.895 -0.571 1
1 578 . 5 1 1 A 50 50 ASP HA H 294 4.167 4.263 -0.096 1
1 581 . 5 1 1 A 50 50 ASP C C 294 176.520 177.599 -1.079 1
1 582 . 5 1 1 A 50 50 ASP CA C 294 57.367 57.471 -0.104 1
1 583 . 5 1 1 A 50 50 ASP CB C 294 40.226 40.528 -0.302 1
1 584 . 5 1 1 A 50 50 ASP N N 294 122.206 124.802 -2.596 1
1 585 . 5 1 1 A 51 51 LEU H H 295 7.749 7.731 0.018 1
1 586 . 5 1 1 A 51 51 LEU HA H 295 4.281 4.120 0.161 1
1 596 . 5 1 1 A 51 51 LEU C C 295 175.716 176.518 -0.802 1
1 597 . 5 1 1 A 51 51 LEU CA C 295 54.407 55.598 -1.191 1
1 598 . 5 1 1 A 51 51 LEU CB C 295 43.849 42.290 1.559 1
1 602 . 5 1 1 A 51 51 LEU N N 295 121.836 117.901 3.935 1
1 603 . 5 1 1 A 52 52 HIS H H 296 7.548 7.511 0.037 1
1 604 . 5 1 1 A 52 52 HIS HA H 296 5.091 4.845 0.246 1
1 609 . 5 1 1 A 52 52 HIS C C 296 172.683 173.869 -1.186 1
1 610 . 5 1 1 A 52 52 HIS CA C 296 54.900 53.887 1.013 1
1 611 . 5 1 1 A 52 52 HIS CB C 296 28.894 29.281 -0.387 1
1 614 . 5 1 1 A 52 52 HIS N N 296 126.326 115.923 10.403 1
1 615 . 5 1 1 A 53 53 LYS H H 297 8.515 8.547 -0.032 1
1 616 . 5 1 1 A 53 53 LYS HA H 297 4.608 4.254 0.354 1
1 625 . 5 1 1 A 53 53 LYS C C 297 174.797 175.536 -0.739 1
1 626 . 5 1 1 A 53 53 LYS CA C 297 54.303 56.907 -2.604 1
1 627 . 5 1 1 A 53 53 LYS CB C 297 35.705 33.133 2.572 1
1 631 . 5 1 1 A 53 53 LYS N N 297 127.067 122.186 4.881 1
1 632 . 5 1 1 A 54 54 MET H H 298 8.379 8.908 -0.529 1
1 633 . 5 1 1 A 54 54 MET HA H 298 5.091 5.139 -0.048 1
1 641 . 5 1 1 A 54 54 MET CA C 298 55.427 54.858 0.569 1
1 642 . 5 1 1 A 54 54 MET CB C 298 34.100 35.414 -1.314 1
1 645 . 5 1 1 A 54 54 MET N N 298 128.992 120.838 8.154 1
1 646 . 5 1 1 A 55 55 ILE H H 299 8.279 8.746 -0.467 1
1 647 . 5 1 1 A 55 55 ILE HA H 299 4.602 5.277 -0.675 1
1 657 . 5 1 1 A 55 55 ILE CA C 299 59.130 59.149 -0.019 1
1 658 . 5 1 1 A 55 55 ILE CB C 299 42.747 42.388 0.359 1
1 662 . 5 1 1 A 56 56 VAL H H 300 9.227 8.755 0.472 1
1 663 . 5 1 1 A 56 56 VAL HA H 300 4.912 4.679 0.233 1
1 671 . 5 1 1 A 56 56 VAL CA C 300 59.226 61.286 -2.060 1
1 672 . 5 1 1 A 56 56 VAL CB C 300 36.406 34.806 1.600 1
1 675 . 5 1 1 A 57 57 SER H H 301 8.794 9.039 -0.245 1
1 676 . 5 1 1 A 57 57 SER HA H 301 4.575 4.504 0.071 1
1 679 . 5 1 1 A 57 57 SER CA C 301 56.558 58.975 -2.417 1
1 680 . 5 1 1 A 57 57 SER CB C 301 65.617 63.652 1.965 1
1 681 . 5 1 1 A 57 57 SER N N 301 128.893 123.757 5.136 1
1 682 . 5 1 1 A 58 58 GLU HA H 302 4.013 4.065 -0.052 1
1 687 . 5 1 1 A 58 58 GLU CA C 302 58.165 58.812 -0.647 1
1 688 . 5 1 1 A 58 58 GLU CB C 302 29.508 29.216 0.292 1
1 690 . 5 1 1 A 59 59 LYS HA H 303 4.114 4.312 -0.198 1
1 699 . 5 1 1 A 59 59 LYS C C 303 176.755 176.806 -0.051 1
1 700 . 5 1 1 A 59 59 LYS CA C 303 55.913 55.653 0.260 1
1 701 . 5 1 1 A 59 59 LYS CB C 303 31.679 32.550 -0.871 1
1 705 . 5 1 1 A 60 60 GLY H H 304 7.813 8.207 -0.394 1
1 706 . 5 1 1 A 60 60 GLY HA2 H 304 4.037 3.968 0.069 1
1 707 . 5 1 1 A 60 60 GLY HA3 H 304 3.411 3.970 -0.559 1
1 708 . 5 1 1 A 60 60 GLY C C 304 173.480 174.153 -0.673 1
1 709 . 5 1 1 A 60 60 GLY CA C 304 45.955 46.155 -0.200 1
1 710 . 5 1 1 A 60 60 GLY N N 304 113.597 107.817 5.780 1
1 711 . 5 1 1 A 61 61 LEU H H 305 7.253 7.368 -0.115 1
1 712 . 5 1 1 A 61 61 LEU HA H 305 4.396 4.897 -0.501 1
1 722 . 5 1 1 A 61 61 LEU CA C 305 54.825 53.774 1.051 1
1 723 . 5 1 1 A 61 61 LEU CB C 305 43.099 44.080 -0.981 1
1 727 . 5 1 1 A 61 61 LEU N N 305 128.081 121.624 6.457 1
1 728 . 5 1 1 A 62 62 HIS H H 306 8.294 9.023 -0.729 1
1 733 . 5 1 1 A 62 62 HIS N N 306 130.344 127.526 2.818 1
1 734 . 5 1 1 A 63 63 SER HA H 307 5.980 5.206 0.774 1
1 737 . 5 1 1 A 63 63 SER CA C 307 57.517 56.759 0.758 1
1 738 . 5 1 1 A 63 63 SER CB C 307 66.760 65.753 1.007 1
1 739 . 5 1 1 A 64 64 LEU H H 308 8.827 8.660 0.167 1
1 740 . 5 1 1 A 64 64 LEU HA H 308 4.657 4.589 0.068 1
1 750 . 5 1 1 A 64 64 LEU C C 308 174.337 174.444 -0.107 1
1 751 . 5 1 1 A 64 64 LEU CA C 308 54.386 53.614 0.772 1
1 752 . 5 1 1 A 64 64 LEU CB C 308 42.678 44.827 -2.149 1
1 756 . 5 1 1 A 65 65 ILE H H 309 9.009 8.696 0.313 1
1 757 . 5 1 1 A 65 65 ILE HA H 309 3.880 4.829 -0.949 1
1 767 . 5 1 1 A 65 65 ILE C C 309 173.963 174.552 -0.589 1
1 768 . 5 1 1 A 65 65 ILE CA C 309 60.296 59.515 0.781 1
1 769 . 5 1 1 A 65 65 ILE CB C 309 40.727 40.901 -0.174 1
1 773 . 5 1 1 A 65 65 ILE N N 309 133.046 127.412 5.634 1
1 774 . 5 1 1 A 66 66 PHE H H 310 8.508 8.737 -0.229 1
1 775 . 5 1 1 A 66 66 PHE HA H 310 4.367 4.943 -0.576 1
1 783 . 5 1 1 A 66 66 PHE C C 310 174.555 175.675 -1.120 1
1 784 . 5 1 1 A 66 66 PHE CA C 310 54.878 55.907 -1.029 1
1 785 . 5 1 1 A 66 66 PHE CB C 310 38.819 40.191 -1.372 1
1 789 . 5 1 1 A 66 66 PHE N N 310 132.294 123.954 8.340 1
1 790 . 5 1 1 A 67 67 GLU H H 311 7.879 8.792 -0.913 1
1 791 . 5 1 1 A 67 67 GLU HA H 311 4.025 4.418 -0.393 1
1 796 . 5 1 1 A 67 67 GLU C C 311 177.819 177.166 0.653 1
1 797 . 5 1 1 A 67 67 GLU CA C 311 59.266 59.200 0.066 1
1 798 . 5 1 1 A 67 67 GLU CB C 311 30.421 30.555 -0.134 1
1 800 . 5 1 1 A 67 67 GLU N N 311 127.092 123.917 3.175 1
1 801 . 5 1 1 A 68 68 VAL H H 312 7.428 7.625 -0.197 1
1 802 . 5 1 1 A 68 68 VAL HA H 312 3.402 4.444 -1.042 1
1 810 . 5 1 1 A 68 68 VAL C C 312 173.921 174.228 -0.307 1
1 811 . 5 1 1 A 68 68 VAL CA C 312 61.444 61.174 0.270 1
1 812 . 5 1 1 A 68 68 VAL CB C 312 34.790 32.565 2.225 1
1 815 . 5 1 1 A 68 68 VAL N N 312 120.315 116.942 3.373 1
1 816 . 5 1 1 A 69 69 VAL H H 313 8.233 8.684 -0.451 1
1 817 . 5 1 1 A 69 69 VAL HA H 313 3.829 4.235 -0.406 1
1 825 . 5 1 1 A 69 69 VAL C C 313 175.123 174.890 0.233 1
1 826 . 5 1 1 A 69 69 VAL CA C 313 63.200 62.810 0.390 1
1 827 . 5 1 1 A 69 69 VAL CB C 313 32.836 32.517 0.319 1
1 830 . 5 1 1 A 69 69 VAL N N 313 132.928 129.085 3.843 1
1 831 . 5 1 1 A 70 70 ARG H H 314 9.259 9.033 0.226 1
1 832 . 5 1 1 A 70 70 ARG HA H 314 4.776 4.713 0.063 1
1 839 . 5 1 1 A 70 70 ARG C C 314 177.491 176.863 0.628 1
1 840 . 5 1 1 A 70 70 ARG CA C 314 53.728 54.147 -0.419 1
1 841 . 5 1 1 A 70 70 ARG CB C 314 34.282 32.728 1.554 1
1 844 . 5 1 1 A 70 70 ARG N N 314 133.209 127.520 5.689 1
1 845 . 5 1 1 A 71 71 ALA H H 315 9.059 8.874 0.185 1
1 846 . 5 1 1 A 71 71 ALA HA H 315 3.676 4.015 -0.339 1
1 850 . 5 1 1 A 71 71 ALA C C 315 180.122 179.349 0.773 1
1 851 . 5 1 1 A 71 71 ALA CA C 315 56.356 55.100 1.256 1
1 852 . 5 1 1 A 71 71 ALA CB C 315 17.923 18.424 -0.501 1
1 853 . 5 1 1 A 71 71 ALA N N 315 131.839 124.515 7.324 1
1 854 . 5 1 1 A 72 72 SER H H 316 7.735 8.001 -0.266 1
1 855 . 5 1 1 A 72 72 SER HA H 316 4.046 4.134 -0.088 1
1 858 . 5 1 1 A 72 72 SER C C 316 175.495 176.050 -0.555 1
1 859 . 5 1 1 A 72 72 SER CA C 316 60.037 61.055 -1.018 1
1 860 . 5 1 1 A 72 72 SER CB C 316 62.381 63.184 -0.803 1
1 861 . 5 1 1 A 72 72 SER N N 316 115.841 113.419 2.422 1
1 862 . 5 1 1 A 73 73 ASP H H 317 8.175 7.903 0.272 1
1 863 . 5 1 1 A 73 73 ASP HA H 317 4.644 4.681 -0.037 1
1 866 . 5 1 1 A 73 73 ASP C C 317 176.176 176.346 -0.170 1
1 867 . 5 1 1 A 73 73 ASP CA C 317 55.305 55.103 0.202 1
1 868 . 5 1 1 A 73 73 ASP CB C 317 42.572 41.201 1.371 1
1 869 . 5 1 1 A 73 73 ASP N N 317 126.327 119.122 7.205 1
1 870 . 5 1 1 A 74 74 ALA H H 318 7.339 6.960 0.379 1
1 871 . 5 1 1 A 74 74 ALA HA H 318 4.013 4.231 -0.218 1
1 875 . 5 1 1 A 74 74 ALA C C 318 176.813 177.231 -0.418 1
1 876 . 5 1 1 A 74 74 ALA CA C 318 53.570 53.117 0.453 1
1 877 . 5 1 1 A 74 74 ALA CB C 318 20.548 20.092 0.456 1
1 878 . 5 1 1 A 74 74 ALA N N 318 127.859 121.947 5.912 1
1 879 . 5 1 1 A 75 75 GLY H H 319 8.797 8.816 -0.019 1
1 880 . 5 1 1 A 75 75 GLY HA2 H 319 3.599 4.080 -0.481 1
1 881 . 5 1 1 A 75 75 GLY HA3 H 319 4.239 4.139 0.100 1
1 882 . 5 1 1 A 75 75 GLY C C 319 170.102 172.049 -1.947 1
1 883 . 5 1 1 A 75 75 GLY CA C 319 45.105 44.274 0.831 1
1 884 . 5 1 1 A 75 75 GLY N N 319 114.261 107.360 6.901 1
1 885 . 5 1 1 A 76 76 ALA H H 320 7.621 8.073 -0.452 1
1 886 . 5 1 1 A 76 76 ALA HA H 320 4.521 4.772 -0.251 1
1 890 . 5 1 1 A 76 76 ALA C C 320 176.291 176.747 -0.456 1
1 891 . 5 1 1 A 76 76 ALA CA C 320 51.158 51.516 -0.358 1
1 892 . 5 1 1 A 76 76 ALA CB C 320 19.242 19.692 -0.450 1
1 893 . 5 1 1 A 76 76 ALA N N 320 129.042 122.758 6.284 1
1 894 . 5 1 1 A 77 77 TYR H H 321 9.406 9.094 0.312 1
1 895 . 5 1 1 A 77 77 TYR HA H 321 5.237 5.298 -0.061 1
1 903 . 5 1 1 A 77 77 TYR C C 321 175.676 175.883 -0.207 1
1 904 . 5 1 1 A 77 77 TYR CA C 321 57.779 58.006 -0.227 1
1 905 . 5 1 1 A 77 77 TYR CB C 321 40.623 40.438 0.185 1
1 908 . 5 1 1 A 77 77 TYR N N 321 132.635 123.731 8.904 1
1 909 . 5 1 1 A 78 78 ALA H H 322 9.084 9.044 0.040 1
1 910 . 5 1 1 A 78 78 ALA HA H 322 5.031 5.387 -0.356 1
1 914 . 5 1 1 A 78 78 ALA CA C 322 50.120 51.200 -1.080 1
1 915 . 5 1 1 A 78 78 ALA CB C 322 21.653 24.090 -2.437 1
1 916 . 5 1 1 A 78 78 ALA N N 322 130.291 122.836 7.455 1
1 917 . 5 1 1 A 79 79 CYS H H 323 7.932 8.846 -0.914 1
1 918 . 5 1 1 A 79 79 CYS HA H 323 4.037 4.574 -0.537 1
1 919 . 5 1 1 A 79 79 CYS C C 323 173.727 173.179 0.548 1
1 920 . 5 1 1 A 79 79 CYS CA C 323 56.345 57.063 -0.718 1
1 921 . 5 1 1 A 80 80 VAL H H 324 8.671 8.912 -0.241 1
1 922 . 5 1 1 A 80 80 VAL HA H 324 4.596 4.343 0.253 1
1 930 . 5 1 1 A 80 80 VAL C C 324 174.904 175.160 -0.256 1
1 931 . 5 1 1 A 80 80 VAL CA C 324 60.907 62.767 -1.860 1
1 932 . 5 1 1 A 80 80 VAL CB C 324 34.334 31.924 2.410 1
1 934 . 5 1 1 A 80 80 VAL N N 324 135.079 127.040 8.039 1
1 935 . 5 1 1 A 81 81 ALA H H 325 9.107 8.783 0.324 1
1 936 . 5 1 1 A 81 81 ALA HA H 325 5.220 5.209 0.011 1
1 940 . 5 1 1 A 81 81 ALA C C 325 175.446 175.811 -0.365 1
1 941 . 5 1 1 A 81 81 ALA CA C 325 49.197 50.600 -1.403 1
1 942 . 5 1 1 A 81 81 ALA CB C 325 22.479 21.631 0.848 1
1 943 . 5 1 1 A 81 81 ALA N N 325 136.369 129.464 6.905 1
1 944 . 5 1 1 A 82 82 LYS H H 326 8.734 8.919 -0.185 1
1 945 . 5 1 1 A 82 82 LYS HA H 326 5.021 5.206 -0.185 1
1 954 . 5 1 1 A 82 82 LYS C C 326 175.054 175.194 -0.140 1
1 955 . 5 1 1 A 82 82 LYS CA C 326 55.451 54.711 0.740 1
1 956 . 5 1 1 A 82 82 LYS CB C 326 37.852 36.408 1.444 1
1 960 . 5 1 1 A 82 82 LYS N N 326 128.038 122.559 5.479 1
1 961 . 5 1 1 A 83 83 ASN H H 327 8.949 8.763 0.186 1
1 962 . 5 1 1 A 83 83 ASN HA H 327 4.624 5.123 -0.499 1
1 967 . 5 1 1 A 83 83 ASN C C 327 176.409 175.301 1.108 1
1 968 . 5 1 1 A 83 83 ASN CA C 327 51.838 51.423 0.415 1
1 969 . 5 1 1 A 83 83 ASN CB C 327 40.927 39.614 1.313 1
1 970 . 5 1 1 A 83 83 ASN N N 327 128.769 121.543 7.226 1
1 972 . 5 1 1 A 84 84 ARG H H 328 8.203 9.124 -0.921 1
1 973 . 5 1 1 A 84 84 ARG HA H 328 3.917 4.071 -0.154 1
1 981 . 5 1 1 A 84 84 ARG C C 328 175.820 176.031 -0.211 1
1 982 . 5 1 1 A 84 84 ARG CA C 328 58.250 58.088 0.162 1
1 983 . 5 1 1 A 84 84 ARG CB C 328 29.985 29.609 0.376 1
1 986 . 5 1 1 A 84 84 ARG N N 328 121.021 117.767 3.254 1
1 988 . 5 1 1 A 85 85 ALA H H 329 7.599 8.028 -0.429 1
1 989 . 5 1 1 A 85 85 ALA HA H 329 4.279 4.483 -0.204 1
1 993 . 5 1 1 A 85 85 ALA C C 329 177.261 176.904 0.357 1
1 994 . 5 1 1 A 85 85 ALA CA C 329 51.905 51.999 -0.094 1
1 995 . 5 1 1 A 85 85 ALA CB C 329 19.637 20.799 -1.162 1
1 996 . 5 1 1 A 85 85 ALA N N 329 125.074 121.638 3.436 1
1 997 . 5 1 1 A 86 86 GLY H H 330 7.624 7.176 0.448 1
1 998 . 5 1 1 A 86 86 GLY HA2 H 330 3.806 4.017 -0.211 1
1 999 . 5 1 1 A 86 86 GLY HA3 H 330 4.164 4.023 0.141 1
1 1000 . 5 1 1 A 86 86 GLY C C 330 169.646 170.937 -1.291 1
1 1001 . 5 1 1 A 86 86 GLY CA C 330 46.012 46.008 0.004 1
1 1002 . 5 1 1 A 86 86 GLY N N 330 112.891 103.373 9.518 1
1 1003 . 5 1 1 A 87 87 GLU H H 331 8.213 8.452 -0.239 1
1 1004 . 5 1 1 A 87 87 GLU HA H 331 5.274 5.220 0.054 1
1 1009 . 5 1 1 A 87 87 GLU C C 331 174.418 174.691 -0.273 1
1 1010 . 5 1 1 A 87 87 GLU CA C 331 54.349 55.027 -0.678 1
1 1011 . 5 1 1 A 87 87 GLU CB C 331 34.615 33.500 1.115 1
1 1013 . 5 1 1 A 87 87 GLU N N 331 123.208 120.072 3.136 1
1 1014 . 5 1 1 A 88 88 ALA H H 332 8.897 8.843 0.054 1
1 1015 . 5 1 1 A 88 88 ALA HA H 332 4.569 5.013 -0.444 1
1 1019 . 5 1 1 A 88 88 ALA C C 332 175.121 175.440 -0.319 1
1 1020 . 5 1 1 A 88 88 ALA CA C 332 51.592 50.390 1.202 1
1 1021 . 5 1 1 A 88 88 ALA CB C 332 23.324 23.233 0.091 1
1 1022 . 5 1 1 A 88 88 ALA N N 332 131.757 126.037 5.720 1
1 1023 . 5 1 1 A 89 89 THR H H 333 8.521 8.799 -0.278 1
1 1024 . 5 1 1 A 89 89 THR HA H 333 5.661 4.929 0.732 1
1 1029 . 5 1 1 A 89 89 THR C C 333 173.827 173.540 0.287 1
1 1030 . 5 1 1 A 89 89 THR CA C 333 60.601 61.585 -0.984 1
1 1031 . 5 1 1 A 89 89 THR CB C 333 72.140 70.968 1.172 1
1 1033 . 5 1 1 A 89 89 THR N N 333 121.100 115.286 5.814 1
1 1034 . 5 1 1 A 90 90 PHE H H 334 8.603 8.402 0.201 1
1 1035 . 5 1 1 A 90 90 PHE HA H 334 4.624 5.067 -0.443 1
1 1043 . 5 1 1 A 90 90 PHE CA C 334 56.618 58.291 -1.673 1
1 1044 . 5 1 1 A 90 90 PHE CB C 334 42.489 40.485 2.004 1
1 1048 . 5 1 1 A 91 91 THR H H 335 8.174 8.992 -0.818 1
1 1049 . 5 1 1 A 91 91 THR HA H 335 5.445 5.169 0.276 1
1 1054 . 5 1 1 A 91 91 THR CA C 335 60.110 61.483 -1.373 1
1 1055 . 5 1 1 A 91 91 THR CB C 335 71.671 72.270 -0.599 1
1 1057 . 5 1 1 A 92 92 VAL H H 336 9.158 8.838 0.320 1
1 1058 . 5 1 1 A 92 92 VAL HA H 336 4.432 4.939 -0.507 1
1 1066 . 5 1 1 A 92 92 VAL C C 336 171.594 173.340 -1.746 1
1 1067 . 5 1 1 A 92 92 VAL CA C 336 60.914 60.175 0.739 1
1 1068 . 5 1 1 A 92 92 VAL CB C 336 35.760 35.944 -0.184 1
1 1071 . 5 1 1 A 92 92 VAL N N 336 130.220 122.046 8.174 1
1 1072 . 5 1 1 A 93 93 GLN H H 337 8.302 8.569 -0.267 1
1 1073 . 5 1 1 A 93 93 GLN HA H 337 4.756 5.431 -0.675 1
1 1080 . 5 1 1 A 93 93 GLN C C 337 174.009 173.487 0.522 1
1 1081 . 5 1 1 A 93 93 GLN CA C 337 54.672 54.384 0.288 1
1 1082 . 5 1 1 A 93 93 GLN CB C 337 30.071 32.678 -2.607 1
1 1084 . 5 1 1 A 93 93 GLN N N 337 133.412 126.033 7.379 1
1 1086 . 5 1 1 A 94 94 LEU H H 338 8.812 9.156 -0.344 1
1 1087 . 5 1 1 A 94 94 LEU HA H 338 4.836 5.031 -0.195 1
1 1097 . 5 1 1 A 94 94 LEU C C 338 175.099 173.929 1.170 1
1 1098 . 5 1 1 A 94 94 LEU CA C 338 53.725 54.193 -0.468 1
1 1099 . 5 1 1 A 94 94 LEU CB C 338 44.955 45.904 -0.949 1
1 1103 . 5 1 1 A 94 94 LEU N N 338 133.816 126.387 7.429 1
1 1104 . 5 1 1 A 95 95 ASP H H 339 8.747 9.197 -0.450 1
1 1105 . 5 1 1 A 95 95 ASP HA H 339 4.871 4.981 -0.110 1
1 1108 . 5 1 1 A 95 95 ASP C C 339 174.295 174.731 -0.436 1
1 1109 . 5 1 1 A 95 95 ASP CA C 339 53.311 52.750 0.561 1
1 1110 . 5 1 1 A 95 95 ASP CB C 339 42.895 41.065 1.830 1
1 1111 . 5 1 1 A 95 95 ASP N N 339 134.770 128.688 6.082 1
1 1112 . 5 1 1 A 96 96 VAL H H 340 7.745 8.208 -0.463 1
1 1113 . 5 1 1 A 96 96 VAL HA H 340 4.653 4.107 0.546 1
1 1121 . 5 1 1 A 96 96 VAL C C 340 175.494 175.549 -0.055 1
1 1122 . 5 1 1 A 96 96 VAL CA C 340 60.722 63.007 -2.285 1
1 1123 . 5 1 1 A 96 96 VAL CB C 340 33.852 31.497 2.355 1
1 1126 . 5 1 1 A 96 96 VAL N N 340 128.328 125.081 3.247 1
1 1127 . 5 1 1 A 97 97 LEU H H 341 8.524 8.806 -0.282 1
1 1128 . 5 1 1 A 97 97 LEU HA H 341 4.243 4.618 -0.375 1
1 1138 . 5 1 1 A 97 97 LEU C C 341 176.052 176.473 -0.421 1
1 1139 . 5 1 1 A 97 97 LEU CA C 341 54.086 54.347 -0.261 1
1 1140 . 5 1 1 A 97 97 LEU CB C 341 41.446 40.969 0.477 1
1 1144 . 5 1 1 A 97 97 LEU N N 341 136.554 129.460 7.094 1
1 1145 . 5 1 1 A 98 98 ALA H H 342 8.344 8.637 -0.293 1
1 1146 . 5 1 1 A 98 98 ALA HA H 342 4.227 4.367 -0.140 1
1 1150 . 5 1 1 A 98 98 ALA C C 342 177.569 177.824 -0.255 1
1 1151 . 5 1 1 A 98 98 ALA CA C 342 51.964 52.663 -0.699 1
1 1152 . 5 1 1 A 98 98 ALA CB C 342 19.976 18.858 1.118 1
1 1153 . 5 1 1 A 98 98 ALA N N 342 134.558 128.354 6.204 1
1 1154 . 5 1 1 A 99 99 LYS H H 343 8.552 8.901 -0.349 1
1 1155 . 5 1 1 A 99 99 LYS HA H 343 4.119 4.208 -0.089 1
1 1164 . 5 1 1 A 99 99 LYS C C 343 175.859 178.253 -2.394 1
1 1165 . 5 1 1 A 99 99 LYS CA C 343 56.453 58.074 -1.621 1
1 1166 . 5 1 1 A 99 99 LYS CB C 343 33.257 32.278 0.979 1
1 1170 . 5 1 1 A 99 99 LYS N N 343 128.906 122.974 5.932 1
1 4 . 6 1 1 A 2 2 ALA HA H -3 4.167 4.419 -0.252 1
1 8 . 6 1 1 A 2 2 ALA C C -3 177.254 177.021 0.233 1
1 9 . 6 1 1 A 2 2 ALA CA C -3 52.427 52.237 0.190 1
1 10 . 6 1 1 A 2 2 ALA CB C -3 19.740 19.728 0.012 1
1 11 . 6 1 1 A 3 3 MET H H -2 8.135 8.637 -0.502 1
1 12 . 6 1 1 A 3 3 MET HA H -2 4.351 4.923 -0.572 1
1 20 . 6 1 1 A 3 3 MET C C -2 176.007 174.506 1.501 1
1 21 . 6 1 1 A 3 3 MET CA C -2 55.444 53.749 1.695 1
1 22 . 6 1 1 A 3 3 MET CB C -2 34.277 36.026 -1.749 1
1 25 . 6 1 1 A 3 3 MET N N -2 125.628 115.352 10.276 1
1 43 . 6 1 1 A 6 6 PRO HA H 250 4.591 4.806 -0.215 1
1 50 . 6 1 1 A 6 6 PRO C C 250 175.444 175.758 -0.314 1
1 51 . 6 1 1 A 6 6 PRO CA C 250 61.829 62.459 -0.630 1
1 52 . 6 1 1 A 6 6 PRO CB C 250 32.464 32.838 -0.374 1
1 55 . 6 1 1 A 7 7 ARG H H 251 7.588 8.827 -1.239 1
1 56 . 6 1 1 A 7 7 ARG HA H 251 4.078 4.797 -0.719 1
1 64 . 6 1 1 A 7 7 ARG C C 251 175.065 174.667 0.398 1
1 65 . 6 1 1 A 7 7 ARG CA C 251 54.552 55.316 -0.764 1
1 66 . 6 1 1 A 7 7 ARG CB C 251 33.587 34.098 -0.511 1
1 69 . 6 1 1 A 7 7 ARG N N 251 124.900 121.034 3.866 1
1 71 . 6 1 1 A 8 8 PHE H H 252 8.893 9.124 -0.231 1
1 72 . 6 1 1 A 8 8 PHE HA H 252 4.708 4.592 0.116 1
1 80 . 6 1 1 A 8 8 PHE CA C 252 59.744 56.252 3.492 1
1 81 . 6 1 1 A 8 8 PHE CB C 252 39.263 36.462 2.801 1
1 85 . 6 1 1 A 8 8 PHE N N 252 128.828 125.052 3.776 1
1 86 . 6 1 1 A 9 9 ILE H H 253 8.223 8.556 -0.333 1
1 87 . 6 1 1 A 9 9 ILE HA H 253 4.090 3.965 0.125 1
1 97 . 6 1 1 A 9 9 ILE C C 253 175.698 176.147 -0.449 1
1 98 . 6 1 1 A 9 9 ILE CA C 253 61.230 64.346 -3.116 1
1 99 . 6 1 1 A 9 9 ILE CB C 253 39.165 38.296 0.869 1
1 103 . 6 1 1 A 9 9 ILE N N 253 128.239 123.553 4.686 1
1 104 . 6 1 1 A 10 10 GLN H H 254 7.437 7.475 -0.038 1
1 105 . 6 1 1 A 10 10 GLN HA H 254 4.450 4.817 -0.367 1
1 112 . 6 1 1 A 10 10 GLN C C 254 174.149 174.214 -0.065 1
1 113 . 6 1 1 A 10 10 GLN CA C 254 56.197 55.379 0.818 1
1 114 . 6 1 1 A 10 10 GLN CB C 254 32.367 32.234 0.133 1
1 116 . 6 1 1 A 10 10 GLN N N 254 127.323 116.729 10.594 1
1 118 . 6 1 1 A 11 11 VAL H H 255 8.283 8.826 -0.543 1
1 119 . 6 1 1 A 11 11 VAL HA H 255 4.185 4.947 -0.762 1
1 127 . 6 1 1 A 11 11 VAL CA C 255 57.931 57.888 0.043 1
1 128 . 6 1 1 A 11 11 VAL CB C 255 33.230 34.482 -1.252 1
1 131 . 6 1 1 A 11 11 VAL N N 255 126.734 118.403 8.331 1
1 132 . 6 1 1 A 12 12 PRO HA H 256 4.538 4.477 0.061 1
1 139 . 6 1 1 A 12 12 PRO CA C 256 62.209 62.207 0.002 1
1 140 . 6 1 1 A 12 12 PRO CB C 256 31.724 32.227 -0.503 1
1 143 . 6 1 1 A 13 13 GLU H H 257 7.870 8.559 -0.689 1
1 144 . 6 1 1 A 13 13 GLU HA H 257 4.257 4.572 -0.315 1
1 149 . 6 1 1 A 13 13 GLU CA C 257 54.764 56.072 -1.308 1
1 150 . 6 1 1 A 13 13 GLU CB C 257 31.690 30.826 0.864 1
1 152 . 6 1 1 A 13 13 GLU N N 257 124.369 120.393 3.976 1
1 153 . 6 1 1 A 14 14 ASN H H 258 8.133 8.626 -0.493 1
1 154 . 6 1 1 A 14 14 ASN HA H 258 4.639 4.696 -0.057 1
1 159 . 6 1 1 A 14 14 ASN CA C 258 54.285 53.505 0.780 1
1 160 . 6 1 1 A 14 14 ASN CB C 258 38.023 38.759 -0.736 1
1 161 . 6 1 1 A 14 14 ASN N N 258 123.151 120.351 2.800 1
1 163 . 6 1 1 A 15 15 MET H H 259 8.295 9.134 -0.839 1
1 164 . 6 1 1 A 15 15 MET HA H 259 4.695 5.314 -0.619 1
1 172 . 6 1 1 A 15 15 MET C C 259 174.675 174.323 0.352 1
1 173 . 6 1 1 A 15 15 MET CA C 259 55.153 53.948 1.205 1
1 174 . 6 1 1 A 15 15 MET CB C 259 38.064 37.400 0.664 1
1 177 . 6 1 1 A 15 15 MET N N 259 125.442 120.221 5.221 1
1 178 . 6 1 1 A 16 16 SER H H 260 8.332 8.771 -0.439 1
1 179 . 6 1 1 A 16 16 SER HA H 260 5.261 5.424 -0.163 1
1 182 . 6 1 1 A 16 16 SER C C 260 172.889 173.206 -0.317 1
1 183 . 6 1 1 A 16 16 SER CA C 260 56.748 56.980 -0.232 1
1 184 . 6 1 1 A 16 16 SER CB C 260 64.170 65.819 -1.649 1
1 185 . 6 1 1 A 16 16 SER N N 260 125.417 113.477 11.940 1
1 186 . 6 1 1 A 17 17 ILE H H 261 8.394 8.805 -0.411 1
1 187 . 6 1 1 A 17 17 ILE HA H 261 4.366 4.595 -0.229 1
1 197 . 6 1 1 A 17 17 ILE C C 261 173.465 174.767 -1.302 1
1 198 . 6 1 1 A 17 17 ILE CA C 261 57.461 60.304 -2.843 1
1 199 . 6 1 1 A 17 17 ILE CB C 261 41.882 42.004 -0.122 1
1 203 . 6 1 1 A 17 17 ILE N N 261 131.680 123.827 7.853 1
1 204 . 6 1 1 A 18 18 ASP H H 262 8.043 8.716 -0.673 1
1 205 . 6 1 1 A 18 18 ASP HA H 262 4.498 4.568 -0.070 1
1 208 . 6 1 1 A 18 18 ASP C C 262 174.970 175.910 -0.940 1
1 209 . 6 1 1 A 18 18 ASP CA C 262 54.962 54.684 0.278 1
1 210 . 6 1 1 A 18 18 ASP CB C 262 41.518 40.789 0.729 1
1 211 . 6 1 1 A 18 18 ASP N N 262 132.455 127.284 5.171 1
1 212 . 6 1 1 A 19 19 GLU H H 263 8.058 8.729 -0.671 1
1 213 . 6 1 1 A 19 19 GLU HA H 263 3.322 3.921 -0.599 1
1 218 . 6 1 1 A 19 19 GLU C C 263 176.656 177.304 -0.648 1
1 219 . 6 1 1 A 19 19 GLU CA C 263 58.351 58.310 0.041 1
1 220 . 6 1 1 A 19 19 GLU CB C 263 29.716 29.335 0.381 1
1 222 . 6 1 1 A 19 19 GLU N N 263 126.424 124.805 1.619 1
1 223 . 6 1 1 A 20 20 GLY H H 264 9.131 9.097 0.034 1
1 224 . 6 1 1 A 20 20 GLY HA2 H 264 3.366 3.987 -0.621 1
1 225 . 6 1 1 A 20 20 GLY HA3 H 264 4.196 3.990 0.206 1
1 226 . 6 1 1 A 20 20 GLY C C 264 174.582 174.581 0.001 1
1 227 . 6 1 1 A 20 20 GLY CA C 264 44.837 45.023 -0.186 1
1 228 . 6 1 1 A 20 20 GLY N N 264 119.124 114.985 4.139 1
1 229 . 6 1 1 A 21 21 ARG H H 265 7.192 7.355 -0.163 1
1 230 . 6 1 1 A 21 21 ARG HA H 265 4.377 4.422 -0.045 1
1 238 . 6 1 1 A 21 21 ARG C C 265 174.091 175.874 -1.783 1
1 239 . 6 1 1 A 21 21 ARG CA C 265 55.263 55.945 -0.682 1
1 240 . 6 1 1 A 21 21 ARG CB C 265 31.467 31.706 -0.239 1
1 243 . 6 1 1 A 21 21 ARG N N 265 126.182 120.373 5.809 1
1 245 . 6 1 1 A 22 22 PHE H H 266 7.699 8.823 -1.124 1
1 246 . 6 1 1 A 22 22 PHE HA H 266 4.688 4.955 -0.267 1
1 254 . 6 1 1 A 22 22 PHE C C 266 175.911 175.080 0.831 1
1 255 . 6 1 1 A 22 22 PHE CA C 266 57.132 59.214 -2.082 1
1 256 . 6 1 1 A 22 22 PHE CB C 266 41.270 40.068 1.202 1
1 260 . 6 1 1 A 22 22 PHE N N 266 127.111 122.446 4.665 1
1 261 . 6 1 1 A 23 23 CYS H H 267 8.140 8.395 -0.255 1
1 262 . 6 1 1 A 23 23 CYS HA H 267 4.282 5.024 -0.742 1
1 265 . 6 1 1 A 23 23 CYS C C 267 170.233 172.495 -2.262 1
1 266 . 6 1 1 A 23 23 CYS CA C 267 57.626 57.903 -0.277 1
1 267 . 6 1 1 A 23 23 CYS CB C 267 30.411 31.853 -1.442 1
1 268 . 6 1 1 A 23 23 CYS N N 267 130.194 126.236 3.958 1
1 269 . 6 1 1 A 24 24 ARG H H 268 8.160 8.935 -0.775 1
1 270 . 6 1 1 A 24 24 ARG HA H 268 5.167 5.286 -0.119 1
1 278 . 6 1 1 A 24 24 ARG CA C 268 53.910 53.969 -0.059 1
1 279 . 6 1 1 A 24 24 ARG CB C 268 35.114 34.519 0.595 1
1 283 . 6 1 1 A 25 25 MET H H 269 8.839 8.544 0.295 1
1 284 . 6 1 1 A 25 25 MET HA H 269 4.518 5.223 -0.705 1
1 292 . 6 1 1 A 25 25 MET C C 269 174.090 173.914 0.176 1
1 293 . 6 1 1 A 25 25 MET CA C 269 54.960 53.634 1.326 1
1 294 . 6 1 1 A 25 25 MET CB C 269 35.645 37.574 -1.929 1
1 297 . 6 1 1 A 25 25 MET N N 269 127.757 119.014 8.743 1
1 298 . 6 1 1 A 26 26 ASP H H 270 8.473 8.506 -0.033 1
1 299 . 6 1 1 A 26 26 ASP HA H 270 5.772 5.444 0.328 1
1 302 . 6 1 1 A 26 26 ASP CA C 270 53.157 52.938 0.219 1
1 303 . 6 1 1 A 26 26 ASP CB C 270 43.595 44.126 -0.531 1
1 304 . 6 1 1 A 26 26 ASP N N 270 129.880 119.327 10.553 1
1 305 . 6 1 1 A 27 27 PHE H H 271 9.180 9.293 -0.113 1
1 306 . 6 1 1 A 27 27 PHE HA H 271 5.014 4.996 0.018 1
1 314 . 6 1 1 A 27 27 PHE CA C 271 55.904 56.213 -0.309 1
1 317 . 6 1 1 A 27 27 PHE N N 271 123.116 121.968 1.148 1
1 318 . 6 1 1 A 28 28 LYS H H 272 9.221 8.839 0.382 1
1 327 . 6 1 1 A 28 28 LYS CA C 272 59.294 56.849 2.445 1
1 328 . 6 1 1 A 28 28 LYS CB C 272 38.090 32.660 5.430 1
1 332 . 6 1 1 A 28 28 LYS N N 272 131.321 124.957 6.364 1
1 333 . 6 1 1 A 29 29 VAL H H 273 8.304 8.881 -0.577 1
1 334 . 6 1 1 A 29 29 VAL HA H 273 4.331 4.712 -0.381 1
1 342 . 6 1 1 A 29 29 VAL C C 273 175.240 173.618 1.622 1
1 343 . 6 1 1 A 29 29 VAL CA C 273 61.020 60.508 0.512 1
1 344 . 6 1 1 A 29 29 VAL CB C 273 33.889 33.734 0.155 1
1 347 . 6 1 1 A 30 30 SER H H 274 8.545 9.075 -0.530 1
1 348 . 6 1 1 A 30 30 SER HA H 274 4.647 4.637 0.010 1
1 351 . 6 1 1 A 30 30 SER C C 274 172.993 174.091 -1.098 1
1 352 . 6 1 1 A 30 30 SER CA C 274 56.505 58.375 -1.870 1
1 353 . 6 1 1 A 30 30 SER CB C 274 65.805 64.420 1.385 1
1 354 . 6 1 1 A 30 30 SER N N 274 129.796 125.897 3.899 1
1 355 . 6 1 1 A 31 31 GLY H H 275 7.712 8.638 -0.926 1
1 356 . 6 1 1 A 31 31 GLY HA2 H 275 3.220 4.160 -0.940 1
1 357 . 6 1 1 A 31 31 GLY HA3 H 275 3.649 4.165 -0.516 1
1 358 . 6 1 1 A 31 31 GLY C C 275 170.984 171.597 -0.613 1
1 359 . 6 1 1 A 31 31 GLY CA C 275 45.099 44.025 1.074 1
1 360 . 6 1 1 A 31 31 GLY N N 275 115.009 111.505 3.504 1
1 361 . 6 1 1 A 32 32 LEU H H 276 7.668 8.357 -0.689 1
1 362 . 6 1 1 A 32 32 LEU HA H 276 4.301 4.861 -0.560 1
1 372 . 6 1 1 A 32 32 LEU C C 276 173.812 174.606 -0.794 1
1 373 . 6 1 1 A 32 32 LEU CA C 276 52.370 51.553 0.817 1
1 374 . 6 1 1 A 32 32 LEU CB C 276 45.554 45.999 -0.445 1
1 378 . 6 1 1 A 32 32 LEU N N 276 129.727 121.424 8.303 1
1 379 . 6 1 1 A 33 33 PRO HA H 277 4.416 4.645 -0.229 1
1 386 . 6 1 1 A 33 33 PRO CA C 277 62.576 62.355 0.221 1
1 387 . 6 1 1 A 33 33 PRO CB C 277 35.012 32.603 2.409 1
1 390 . 6 1 1 A 34 34 ALA H H 278 8.598 8.326 0.272 1
1 391 . 6 1 1 A 34 34 ALA HA H 278 4.153 4.305 -0.152 1
1 395 . 6 1 1 A 34 34 ALA CA C 278 50.822 50.693 0.129 1
1 396 . 6 1 1 A 34 34 ALA CB C 278 17.462 18.970 -1.508 1
1 397 . 6 1 1 A 34 34 ALA N N 278 131.518 124.418 7.100 1
1 398 . 6 1 1 A 35 35 PRO HA H 279 4.206 4.492 -0.286 1
1 405 . 6 1 1 A 35 35 PRO C C 279 175.701 175.930 -0.229 1
1 406 . 6 1 1 A 35 35 PRO CA C 279 62.628 62.451 0.177 1
1 407 . 6 1 1 A 35 35 PRO CB C 279 33.069 31.965 1.104 1
1 410 . 6 1 1 A 36 36 ASP H H 280 8.621 8.440 0.181 1
1 411 . 6 1 1 A 36 36 ASP HA H 280 4.659 4.719 -0.060 1
1 414 . 6 1 1 A 36 36 ASP C C 280 176.057 175.497 0.560 1
1 415 . 6 1 1 A 36 36 ASP CA C 280 54.307 54.067 0.240 1
1 416 . 6 1 1 A 36 36 ASP CB C 280 42.741 41.797 0.944 1
1 417 . 6 1 1 A 36 36 ASP N N 280 127.555 121.842 5.713 1
1 418 . 6 1 1 A 37 37 VAL H H 281 8.635 8.797 -0.162 1
1 419 . 6 1 1 A 37 37 VAL HA H 281 4.938 4.767 0.171 1
1 427 . 6 1 1 A 37 37 VAL CA C 281 61.135 60.505 0.630 1
1 428 . 6 1 1 A 37 37 VAL CB C 281 34.579 32.419 2.160 1
1 431 . 6 1 1 A 38 38 SER H H 282 8.591 8.469 0.122 1
1 432 . 6 1 1 A 38 38 SER HA H 282 4.518 4.724 -0.206 1
1 435 . 6 1 1 A 38 38 SER CA C 282 57.540 58.798 -1.258 1
1 436 . 6 1 1 A 38 38 SER CB C 282 66.530 63.563 2.967 1
1 437 . 6 1 1 A 38 38 SER N N 282 128.264 123.586 4.678 1
1 438 . 6 1 1 A 39 39 TRP H H 283 8.426 8.992 -0.566 1
1 439 . 6 1 1 A 39 39 TRP HA H 283 5.297 5.285 0.012 1
1 448 . 6 1 1 A 39 39 TRP CA C 283 56.298 56.818 -0.520 1
1 449 . 6 1 1 A 39 39 TRP CB C 283 33.153 31.519 1.634 1
1 455 . 6 1 1 A 39 39 TRP N N 283 127.698 127.859 -0.161 1
1 456 . 6 1 1 A 40 40 TYR H H 284 9.373 9.292 0.081 1
1 457 . 6 1 1 A 40 40 TYR HA H 284 4.903 5.365 -0.462 1
1 464 . 6 1 1 A 40 40 TYR C C 284 174.148 174.624 -0.476 1
1 465 . 6 1 1 A 40 40 TYR CA C 284 56.849 56.299 0.550 1
1 466 . 6 1 1 A 40 40 TYR CB C 284 42.754 43.324 -0.570 1
1 469 . 6 1 1 A 40 40 TYR N N 284 125.437 119.878 5.559 1
1 470 . 6 1 1 A 41 41 LEU H H 285 8.898 9.194 -0.296 1
1 471 . 6 1 1 A 41 41 LEU HA H 285 4.255 4.603 -0.348 1
1 481 . 6 1 1 A 41 41 LEU C C 285 176.606 175.470 1.136 1
1 482 . 6 1 1 A 41 41 LEU CA C 285 53.659 54.007 -0.348 1
1 483 . 6 1 1 A 41 41 LEU CB C 285 43.740 44.776 -1.036 1
1 487 . 6 1 1 A 41 41 LEU N N 285 129.512 122.579 6.933 1
1 488 . 6 1 1 A 42 42 ASN H H 286 9.454 9.477 -0.023 1
1 489 . 6 1 1 A 42 42 ASN HA H 286 4.221 4.419 -0.198 1
1 494 . 6 1 1 A 42 42 ASN C C 286 175.692 175.286 0.406 1
1 495 . 6 1 1 A 42 42 ASN CA C 286 54.239 54.373 -0.134 1
1 496 . 6 1 1 A 42 42 ASN CB C 286 37.331 36.960 0.371 1
1 497 . 6 1 1 A 42 42 ASN N N 286 134.097 126.379 7.718 1
1 499 . 6 1 1 A 43 43 GLY H H 287 8.709 8.341 0.368 1
1 500 . 6 1 1 A 43 43 GLY HA2 H 287 3.356 3.986 -0.630 1
1 501 . 6 1 1 A 43 43 GLY HA3 H 287 3.995 3.994 0.001 1
1 502 . 6 1 1 A 43 43 GLY C C 287 173.786 174.703 -0.917 1
1 503 . 6 1 1 A 43 43 GLY CA C 287 45.450 45.108 0.342 1
1 504 . 6 1 1 A 43 43 GLY N N 287 108.807 104.994 3.813 1
1 505 . 6 1 1 A 44 44 ARG H H 288 7.902 7.555 0.347 1
1 506 . 6 1 1 A 44 44 ARG HA H 288 4.697 4.639 0.058 1
1 514 . 6 1 1 A 44 44 ARG C C 288 175.799 176.301 -0.502 1
1 515 . 6 1 1 A 44 44 ARG CA C 288 54.658 55.083 -0.425 1
1 516 . 6 1 1 A 44 44 ARG CB C 288 32.436 31.648 0.788 1
1 519 . 6 1 1 A 44 44 ARG N N 288 127.837 120.320 7.517 1
1 521 . 6 1 1 A 45 45 THR H H 289 8.539 8.584 -0.045 1
1 522 . 6 1 1 A 45 45 THR HA H 289 3.763 4.303 -0.540 1
1 527 . 6 1 1 A 45 45 THR C C 289 174.692 174.219 0.473 1
1 528 . 6 1 1 A 45 45 THR CA C 289 63.977 61.542 2.435 1
1 529 . 6 1 1 A 45 45 THR CB C 289 69.706 70.011 -0.305 1
1 531 . 6 1 1 A 45 45 THR N N 289 126.100 113.725 12.375 1
1 532 . 6 1 1 A 46 46 VAL H H 290 8.033 8.330 -0.297 1
1 533 . 6 1 1 A 46 46 VAL HA H 290 3.647 4.912 -1.265 1
1 541 . 6 1 1 A 46 46 VAL C C 290 174.672 174.689 -0.017 1
1 542 . 6 1 1 A 46 46 VAL CA C 290 62.458 60.169 2.289 1
1 543 . 6 1 1 A 46 46 VAL CB C 290 32.500 35.911 -3.411 1
1 546 . 6 1 1 A 46 46 VAL N N 290 134.795 121.090 13.705 1
1 547 . 6 1 1 A 47 47 GLN H H 291 8.124 8.844 -0.720 1
1 548 . 6 1 1 A 47 47 GLN HA H 291 4.281 4.896 -0.615 1
1 555 . 6 1 1 A 47 47 GLN C C 291 175.398 175.246 0.152 1
1 556 . 6 1 1 A 47 47 GLN CA C 291 54.235 53.925 0.310 1
1 557 . 6 1 1 A 47 47 GLN CB C 291 30.283 32.874 -2.591 1
1 559 . 6 1 1 A 47 47 GLN N N 291 132.792 125.496 7.296 1
1 561 . 6 1 1 A 48 48 SER H H 292 8.280 8.610 -0.330 1
1 562 . 6 1 1 A 48 48 SER HA H 292 4.308 4.511 -0.203 1
1 565 . 6 1 1 A 48 48 SER C C 292 174.304 173.512 0.792 1
1 566 . 6 1 1 A 48 48 SER CA C 292 58.222 58.221 0.001 1
1 567 . 6 1 1 A 48 48 SER CB C 292 63.719 64.111 -0.392 1
1 568 . 6 1 1 A 48 48 SER N N 292 123.481 115.855 7.626 1
1 569 . 6 1 1 A 49 49 ASP H H 293 9.050 8.675 0.375 1
1 570 . 6 1 1 A 49 49 ASP HA H 293 4.482 5.064 -0.582 1
1 573 . 6 1 1 A 49 49 ASP C C 293 176.099 175.637 0.462 1
1 574 . 6 1 1 A 49 49 ASP CA C 293 53.668 53.001 0.667 1
1 575 . 6 1 1 A 49 49 ASP CB C 293 40.100 44.241 -4.141 1
1 576 . 6 1 1 A 49 49 ASP N N 293 131.157 121.669 9.488 1
1 577 . 6 1 1 A 50 50 ASP H H 294 8.324 8.899 -0.575 1
1 578 . 6 1 1 A 50 50 ASP HA H 294 4.167 4.241 -0.074 1
1 581 . 6 1 1 A 50 50 ASP C C 294 176.520 177.575 -1.055 1
1 582 . 6 1 1 A 50 50 ASP CA C 294 57.367 57.573 -0.206 1
1 583 . 6 1 1 A 50 50 ASP CB C 294 40.226 40.488 -0.262 1
1 584 . 6 1 1 A 50 50 ASP N N 294 122.206 124.814 -2.608 1
1 585 . 6 1 1 A 51 51 LEU H H 295 7.749 7.717 0.032 1
1 586 . 6 1 1 A 51 51 LEU HA H 295 4.281 4.166 0.115 1
1 596 . 6 1 1 A 51 51 LEU C C 295 175.716 176.477 -0.761 1
1 597 . 6 1 1 A 51 51 LEU CA C 295 54.407 55.274 -0.867 1
1 598 . 6 1 1 A 51 51 LEU CB C 295 43.849 42.045 1.804 1
1 602 . 6 1 1 A 51 51 LEU N N 295 121.836 117.899 3.937 1
1 603 . 6 1 1 A 52 52 HIS H H 296 7.548 7.521 0.027 1
1 604 . 6 1 1 A 52 52 HIS HA H 296 5.091 4.787 0.304 1
1 609 . 6 1 1 A 52 52 HIS C C 296 172.683 173.888 -1.205 1
1 610 . 6 1 1 A 52 52 HIS CA C 296 54.900 53.734 1.166 1
1 611 . 6 1 1 A 52 52 HIS CB C 296 28.894 29.413 -0.519 1
1 614 . 6 1 1 A 52 52 HIS N N 296 126.326 116.077 10.249 1
1 615 . 6 1 1 A 53 53 LYS H H 297 8.515 8.554 -0.039 1
1 616 . 6 1 1 A 53 53 LYS HA H 297 4.608 4.278 0.330 1
1 625 . 6 1 1 A 53 53 LYS C C 297 174.797 175.608 -0.811 1
1 626 . 6 1 1 A 53 53 LYS CA C 297 54.303 56.843 -2.540 1
1 627 . 6 1 1 A 53 53 LYS CB C 297 35.705 33.242 2.463 1
1 631 . 6 1 1 A 53 53 LYS N N 297 127.067 122.589 4.478 1
1 632 . 6 1 1 A 54 54 MET H H 298 8.379 8.883 -0.504 1
1 633 . 6 1 1 A 54 54 MET HA H 298 5.091 5.145 -0.054 1
1 641 . 6 1 1 A 54 54 MET CA C 298 55.427 54.869 0.558 1
1 642 . 6 1 1 A 54 54 MET CB C 298 34.100 35.662 -1.562 1
1 645 . 6 1 1 A 54 54 MET N N 298 128.992 120.785 8.207 1
1 646 . 6 1 1 A 55 55 ILE H H 299 8.279 8.772 -0.493 1
1 647 . 6 1 1 A 55 55 ILE HA H 299 4.602 5.210 -0.608 1
1 657 . 6 1 1 A 55 55 ILE CA C 299 59.130 59.164 -0.034 1
1 658 . 6 1 1 A 55 55 ILE CB C 299 42.747 42.288 0.459 1
1 662 . 6 1 1 A 56 56 VAL H H 300 9.227 8.592 0.635 1
1 663 . 6 1 1 A 56 56 VAL HA H 300 4.912 4.656 0.256 1
1 671 . 6 1 1 A 56 56 VAL CA C 300 59.226 61.186 -1.960 1
1 672 . 6 1 1 A 56 56 VAL CB C 300 36.406 34.656 1.750 1
1 675 . 6 1 1 A 57 57 SER H H 301 8.794 9.107 -0.313 1
1 676 . 6 1 1 A 57 57 SER HA H 301 4.575 4.523 0.052 1
1 679 . 6 1 1 A 57 57 SER CA C 301 56.558 58.751 -2.193 1
1 680 . 6 1 1 A 57 57 SER CB C 301 65.617 63.987 1.630 1
1 681 . 6 1 1 A 57 57 SER N N 301 128.893 123.647 5.246 1
1 682 . 6 1 1 A 58 58 GLU HA H 302 4.013 3.999 0.014 1
1 687 . 6 1 1 A 58 58 GLU CA C 302 58.165 59.806 -1.641 1
1 688 . 6 1 1 A 58 58 GLU CB C 302 29.508 29.313 0.195 1
1 690 . 6 1 1 A 59 59 LYS HA H 303 4.114 4.286 -0.172 1
1 699 . 6 1 1 A 59 59 LYS C C 303 176.755 176.807 -0.052 1
1 700 . 6 1 1 A 59 59 LYS CA C 303 55.913 55.632 0.281 1
1 701 . 6 1 1 A 59 59 LYS CB C 303 31.679 32.559 -0.880 1
1 705 . 6 1 1 A 60 60 GLY H H 304 7.813 8.037 -0.224 1
1 706 . 6 1 1 A 60 60 GLY HA2 H 304 4.037 3.962 0.075 1
1 707 . 6 1 1 A 60 60 GLY HA3 H 304 3.411 3.971 -0.560 1
1 708 . 6 1 1 A 60 60 GLY C C 304 173.480 174.104 -0.624 1
1 709 . 6 1 1 A 60 60 GLY CA C 304 45.955 46.610 -0.655 1
1 710 . 6 1 1 A 60 60 GLY N N 304 113.597 107.963 5.634 1
1 711 . 6 1 1 A 61 61 LEU H H 305 7.253 7.240 0.013 1
1 712 . 6 1 1 A 61 61 LEU HA H 305 4.396 4.933 -0.537 1
1 722 . 6 1 1 A 61 61 LEU CA C 305 54.825 53.935 0.890 1
1 723 . 6 1 1 A 61 61 LEU CB C 305 43.099 44.530 -1.431 1
1 727 . 6 1 1 A 61 61 LEU N N 305 128.081 120.791 7.290 1
1 728 . 6 1 1 A 62 62 HIS H H 306 8.294 9.207 -0.913 1
1 733 . 6 1 1 A 62 62 HIS N N 306 130.344 127.664 2.680 1
1 734 . 6 1 1 A 63 63 SER HA H 307 5.980 5.172 0.808 1
1 737 . 6 1 1 A 63 63 SER CA C 307 57.517 57.998 -0.481 1
1 738 . 6 1 1 A 63 63 SER CB C 307 66.760 64.728 2.032 1
1 739 . 6 1 1 A 64 64 LEU H H 308 8.827 8.655 0.172 1
1 740 . 6 1 1 A 64 64 LEU HA H 308 4.657 4.685 -0.028 1
1 750 . 6 1 1 A 64 64 LEU C C 308 174.337 174.380 -0.043 1
1 751 . 6 1 1 A 64 64 LEU CA C 308 54.386 53.673 0.713 1
1 752 . 6 1 1 A 64 64 LEU CB C 308 42.678 45.225 -2.547 1
1 756 . 6 1 1 A 65 65 ILE H H 309 9.009 8.404 0.605 1
1 757 . 6 1 1 A 65 65 ILE HA H 309 3.880 4.728 -0.848 1
1 767 . 6 1 1 A 65 65 ILE C C 309 173.963 174.410 -0.447 1
1 768 . 6 1 1 A 65 65 ILE CA C 309 60.296 59.405 0.891 1
1 769 . 6 1 1 A 65 65 ILE CB C 309 40.727 41.228 -0.501 1
1 773 . 6 1 1 A 65 65 ILE N N 309 133.046 126.947 6.099 1
1 774 . 6 1 1 A 66 66 PHE H H 310 8.508 8.784 -0.276 1
1 775 . 6 1 1 A 66 66 PHE HA H 310 4.367 4.926 -0.559 1
1 783 . 6 1 1 A 66 66 PHE C C 310 174.555 175.596 -1.041 1
1 784 . 6 1 1 A 66 66 PHE CA C 310 54.878 56.020 -1.142 1
1 785 . 6 1 1 A 66 66 PHE CB C 310 38.819 40.654 -1.835 1
1 789 . 6 1 1 A 66 66 PHE N N 310 132.294 124.006 8.288 1
1 790 . 6 1 1 A 67 67 GLU H H 311 7.879 8.835 -0.956 1
1 791 . 6 1 1 A 67 67 GLU HA H 311 4.025 4.445 -0.420 1
1 796 . 6 1 1 A 67 67 GLU C C 311 177.819 177.215 0.604 1
1 797 . 6 1 1 A 67 67 GLU CA C 311 59.266 59.124 0.142 1
1 798 . 6 1 1 A 67 67 GLU CB C 311 30.421 30.576 -0.155 1
1 800 . 6 1 1 A 67 67 GLU N N 311 127.092 123.780 3.312 1
1 801 . 6 1 1 A 68 68 VAL H H 312 7.428 7.600 -0.172 1
1 802 . 6 1 1 A 68 68 VAL HA H 312 3.402 4.474 -1.072 1
1 810 . 6 1 1 A 68 68 VAL C C 312 173.921 174.179 -0.258 1
1 811 . 6 1 1 A 68 68 VAL CA C 312 61.444 61.080 0.364 1
1 812 . 6 1 1 A 68 68 VAL CB C 312 34.790 32.838 1.952 1
1 815 . 6 1 1 A 68 68 VAL N N 312 120.315 116.710 3.605 1
1 816 . 6 1 1 A 69 69 VAL H H 313 8.233 8.709 -0.476 1
1 817 . 6 1 1 A 69 69 VAL HA H 313 3.829 4.245 -0.416 1
1 825 . 6 1 1 A 69 69 VAL C C 313 175.123 175.171 -0.048 1
1 826 . 6 1 1 A 69 69 VAL CA C 313 63.200 62.514 0.686 1
1 827 . 6 1 1 A 69 69 VAL CB C 313 32.836 32.593 0.243 1
1 830 . 6 1 1 A 69 69 VAL N N 313 132.928 128.877 4.051 1
1 831 . 6 1 1 A 70 70 ARG H H 314 9.259 8.929 0.330 1
1 832 . 6 1 1 A 70 70 ARG HA H 314 4.776 4.739 0.037 1
1 839 . 6 1 1 A 70 70 ARG C C 314 177.491 176.733 0.758 1
1 840 . 6 1 1 A 70 70 ARG CA C 314 53.728 53.898 -0.170 1
1 841 . 6 1 1 A 70 70 ARG CB C 314 34.282 33.100 1.182 1
1 844 . 6 1 1 A 70 70 ARG N N 314 133.209 127.577 5.632 1
1 845 . 6 1 1 A 71 71 ALA H H 315 9.059 8.855 0.204 1
1 846 . 6 1 1 A 71 71 ALA HA H 315 3.676 3.985 -0.309 1
1 850 . 6 1 1 A 71 71 ALA C C 315 180.122 179.490 0.632 1
1 851 . 6 1 1 A 71 71 ALA CA C 315 56.356 55.098 1.258 1
1 852 . 6 1 1 A 71 71 ALA CB C 315 17.923 18.421 -0.498 1
1 853 . 6 1 1 A 71 71 ALA N N 315 131.839 124.487 7.352 1
1 854 . 6 1 1 A 72 72 SER H H 316 7.735 7.971 -0.236 1
1 855 . 6 1 1 A 72 72 SER HA H 316 4.046 4.246 -0.200 1
1 858 . 6 1 1 A 72 72 SER C C 316 175.495 174.522 0.973 1
1 859 . 6 1 1 A 72 72 SER CA C 316 60.037 61.267 -1.230 1
1 860 . 6 1 1 A 72 72 SER CB C 316 62.381 63.159 -0.778 1
1 861 . 6 1 1 A 72 72 SER N N 316 115.841 113.816 2.025 1
1 862 . 6 1 1 A 73 73 ASP H H 317 8.175 7.921 0.254 1
1 863 . 6 1 1 A 73 73 ASP HA H 317 4.644 4.767 -0.123 1
1 866 . 6 1 1 A 73 73 ASP C C 317 176.176 176.160 0.016 1
1 867 . 6 1 1 A 73 73 ASP CA C 317 55.305 54.692 0.613 1
1 868 . 6 1 1 A 73 73 ASP CB C 317 42.572 41.326 1.246 1
1 869 . 6 1 1 A 73 73 ASP N N 317 126.327 119.260 7.067 1
1 870 . 6 1 1 A 74 74 ALA H H 318 7.339 6.938 0.401 1
1 871 . 6 1 1 A 74 74 ALA HA H 318 4.013 4.279 -0.266 1
1 875 . 6 1 1 A 74 74 ALA C C 318 176.813 177.134 -0.321 1
1 876 . 6 1 1 A 74 74 ALA CA C 318 53.570 53.048 0.522 1
1 877 . 6 1 1 A 74 74 ALA CB C 318 20.548 20.287 0.261 1
1 878 . 6 1 1 A 74 74 ALA N N 318 127.859 122.130 5.729 1
1 879 . 6 1 1 A 75 75 GLY H H 319 8.797 8.783 0.014 1
1 880 . 6 1 1 A 75 75 GLY HA2 H 319 3.599 4.078 -0.479 1
1 881 . 6 1 1 A 75 75 GLY HA3 H 319 4.239 4.142 0.097 1
1 882 . 6 1 1 A 75 75 GLY C C 319 170.102 172.208 -2.106 1
1 883 . 6 1 1 A 75 75 GLY CA C 319 45.105 44.211 0.894 1
1 884 . 6 1 1 A 75 75 GLY N N 319 114.261 107.139 7.122 1
1 885 . 6 1 1 A 76 76 ALA H H 320 7.621 8.071 -0.450 1
1 886 . 6 1 1 A 76 76 ALA HA H 320 4.521 4.659 -0.138 1
1 890 . 6 1 1 A 76 76 ALA C C 320 176.291 176.479 -0.188 1
1 891 . 6 1 1 A 76 76 ALA CA C 320 51.158 51.588 -0.430 1
1 892 . 6 1 1 A 76 76 ALA CB C 320 19.242 18.994 0.248 1
1 893 . 6 1 1 A 76 76 ALA N N 320 129.042 122.799 6.243 1
1 894 . 6 1 1 A 77 77 TYR H H 321 9.406 8.951 0.455 1
1 895 . 6 1 1 A 77 77 TYR HA H 321 5.237 5.182 0.055 1
1 903 . 6 1 1 A 77 77 TYR C C 321 175.676 176.094 -0.418 1
1 904 . 6 1 1 A 77 77 TYR CA C 321 57.779 58.176 -0.397 1
1 905 . 6 1 1 A 77 77 TYR CB C 321 40.623 40.011 0.612 1
1 908 . 6 1 1 A 77 77 TYR N N 321 132.635 124.631 8.004 1
1 909 . 6 1 1 A 78 78 ALA H H 322 9.084 9.085 -0.001 1
1 910 . 6 1 1 A 78 78 ALA HA H 322 5.031 5.322 -0.291 1
1 914 . 6 1 1 A 78 78 ALA CA C 322 50.120 51.368 -1.248 1
1 915 . 6 1 1 A 78 78 ALA CB C 322 21.653 24.185 -2.532 1
1 916 . 6 1 1 A 78 78 ALA N N 322 130.291 122.226 8.065 1
1 917 . 6 1 1 A 79 79 CYS H H 323 7.932 8.911 -0.979 1
1 918 . 6 1 1 A 79 79 CYS HA H 323 4.037 4.876 -0.839 1
1 919 . 6 1 1 A 79 79 CYS C C 323 173.727 172.947 0.780 1
1 920 . 6 1 1 A 79 79 CYS CA C 323 56.345 57.179 -0.834 1
1 921 . 6 1 1 A 80 80 VAL H H 324 8.671 9.051 -0.380 1
1 922 . 6 1 1 A 80 80 VAL HA H 324 4.596 4.499 0.097 1
1 930 . 6 1 1 A 80 80 VAL C C 324 174.904 174.614 0.290 1
1 931 . 6 1 1 A 80 80 VAL CA C 324 60.907 61.471 -0.564 1
1 932 . 6 1 1 A 80 80 VAL CB C 324 34.334 33.291 1.043 1
1 934 . 6 1 1 A 80 80 VAL N N 324 135.079 126.090 8.989 1
1 935 . 6 1 1 A 81 81 ALA H H 325 9.107 8.951 0.156 1
1 936 . 6 1 1 A 81 81 ALA HA H 325 5.220 5.140 0.080 1
1 940 . 6 1 1 A 81 81 ALA C C 325 175.446 176.692 -1.246 1
1 941 . 6 1 1 A 81 81 ALA CA C 325 49.197 51.037 -1.840 1
1 942 . 6 1 1 A 81 81 ALA CB C 325 22.479 20.076 2.403 1
1 943 . 6 1 1 A 81 81 ALA N N 325 136.369 131.408 4.961 1
1 944 . 6 1 1 A 82 82 LYS H H 326 8.734 8.878 -0.144 1
1 945 . 6 1 1 A 82 82 LYS HA H 326 5.021 5.128 -0.107 1
1 954 . 6 1 1 A 82 82 LYS C C 326 175.054 175.472 -0.418 1
1 955 . 6 1 1 A 82 82 LYS CA C 326 55.451 54.605 0.846 1
1 956 . 6 1 1 A 82 82 LYS CB C 326 37.852 35.634 2.218 1
1 960 . 6 1 1 A 82 82 LYS N N 326 128.038 123.009 5.029 1
1 961 . 6 1 1 A 83 83 ASN H H 327 8.949 8.660 0.289 1
1 962 . 6 1 1 A 83 83 ASN HA H 327 4.624 5.149 -0.525 1
1 967 . 6 1 1 A 83 83 ASN C C 327 176.409 175.590 0.819 1
1 968 . 6 1 1 A 83 83 ASN CA C 327 51.838 51.268 0.570 1
1 969 . 6 1 1 A 83 83 ASN CB C 327 40.927 39.876 1.051 1
1 970 . 6 1 1 A 83 83 ASN N N 327 128.769 121.898 6.871 1
1 972 . 6 1 1 A 84 84 ARG H H 328 8.203 9.112 -0.909 1
1 973 . 6 1 1 A 84 84 ARG HA H 328 3.917 4.081 -0.164 1
1 981 . 6 1 1 A 84 84 ARG C C 328 175.820 176.142 -0.322 1
1 982 . 6 1 1 A 84 84 ARG CA C 328 58.250 58.107 0.143 1
1 983 . 6 1 1 A 84 84 ARG CB C 328 29.985 29.642 0.343 1
1 986 . 6 1 1 A 84 84 ARG N N 328 121.021 117.812 3.209 1
1 988 . 6 1 1 A 85 85 ALA H H 329 7.599 8.040 -0.441 1
1 989 . 6 1 1 A 85 85 ALA HA H 329 4.279 4.493 -0.214 1
1 993 . 6 1 1 A 85 85 ALA C C 329 177.261 176.938 0.323 1
1 994 . 6 1 1 A 85 85 ALA CA C 329 51.905 52.024 -0.119 1
1 995 . 6 1 1 A 85 85 ALA CB C 329 19.637 20.622 -0.985 1
1 996 . 6 1 1 A 85 85 ALA N N 329 125.074 121.599 3.475 1
1 997 . 6 1 1 A 86 86 GLY H H 330 7.624 7.203 0.421 1
1 998 . 6 1 1 A 86 86 GLY HA2 H 330 3.806 4.068 -0.262 1
1 999 . 6 1 1 A 86 86 GLY HA3 H 330 4.164 4.069 0.095 1
1 1000 . 6 1 1 A 86 86 GLY C C 330 169.646 170.897 -1.251 1
1 1001 . 6 1 1 A 86 86 GLY CA C 330 46.012 46.028 -0.016 1
1 1002 . 6 1 1 A 86 86 GLY N N 330 112.891 103.189 9.702 1
1 1003 . 6 1 1 A 87 87 GLU H H 331 8.213 8.505 -0.292 1
1 1004 . 6 1 1 A 87 87 GLU HA H 331 5.274 5.377 -0.103 1
1 1009 . 6 1 1 A 87 87 GLU C C 331 174.418 174.722 -0.304 1
1 1010 . 6 1 1 A 87 87 GLU CA C 331 54.349 54.889 -0.540 1
1 1011 . 6 1 1 A 87 87 GLU CB C 331 34.615 33.548 1.067 1
1 1013 . 6 1 1 A 87 87 GLU N N 331 123.208 120.146 3.062 1
1 1014 . 6 1 1 A 88 88 ALA H H 332 8.897 8.926 -0.029 1
1 1015 . 6 1 1 A 88 88 ALA HA H 332 4.569 4.625 -0.056 1
1 1019 . 6 1 1 A 88 88 ALA C C 332 175.121 174.962 0.159 1
1 1020 . 6 1 1 A 88 88 ALA CA C 332 51.592 50.199 1.393 1
1 1021 . 6 1 1 A 88 88 ALA CB C 332 23.324 23.455 -0.131 1
1 1022 . 6 1 1 A 88 88 ALA N N 332 131.757 126.103 5.654 1
1 1023 . 6 1 1 A 89 89 THR H H 333 8.521 7.456 1.065 1
1 1024 . 6 1 1 A 89 89 THR HA H 333 5.661 5.007 0.654 1
1 1029 . 6 1 1 A 89 89 THR C C 333 173.827 172.964 0.863 1
1 1030 . 6 1 1 A 89 89 THR CA C 333 60.601 60.803 -0.202 1
1 1031 . 6 1 1 A 89 89 THR CB C 333 72.140 72.104 0.036 1
1 1033 . 6 1 1 A 89 89 THR N N 333 121.100 113.792 7.308 1
1 1034 . 6 1 1 A 90 90 PHE H H 334 8.603 8.909 -0.306 1
1 1035 . 6 1 1 A 90 90 PHE HA H 334 4.624 5.372 -0.748 1
1 1043 . 6 1 1 A 90 90 PHE CA C 334 56.618 56.108 0.510 1
1 1044 . 6 1 1 A 90 90 PHE CB C 334 42.489 43.637 -1.148 1
1 1048 . 6 1 1 A 91 91 THR H H 335 8.174 8.952 -0.778 1
1 1049 . 6 1 1 A 91 91 THR HA H 335 5.445 5.148 0.297 1
1 1054 . 6 1 1 A 91 91 THR CA C 335 60.110 61.496 -1.386 1
1 1055 . 6 1 1 A 91 91 THR CB C 335 71.671 72.340 -0.669 1
1 1057 . 6 1 1 A 92 92 VAL H H 336 9.158 8.985 0.173 1
1 1058 . 6 1 1 A 92 92 VAL HA H 336 4.432 4.952 -0.520 1
1 1066 . 6 1 1 A 92 92 VAL C C 336 171.594 173.055 -1.461 1
1 1067 . 6 1 1 A 92 92 VAL CA C 336 60.914 60.538 0.376 1
1 1068 . 6 1 1 A 92 92 VAL CB C 336 35.760 35.616 0.144 1
1 1071 . 6 1 1 A 92 92 VAL N N 336 130.220 122.133 8.087 1
1 1072 . 6 1 1 A 93 93 GLN H H 337 8.302 8.912 -0.610 1
1 1073 . 6 1 1 A 93 93 GLN HA H 337 4.756 5.110 -0.354 1
1 1080 . 6 1 1 A 93 93 GLN C C 337 174.009 174.171 -0.162 1
1 1081 . 6 1 1 A 93 93 GLN CA C 337 54.672 54.608 0.064 1
1 1082 . 6 1 1 A 93 93 GLN CB C 337 30.071 31.497 -1.426 1
1 1084 . 6 1 1 A 93 93 GLN N N 337 133.412 127.217 6.195 1
1 1086 . 6 1 1 A 94 94 LEU H H 338 8.812 9.185 -0.373 1
1 1087 . 6 1 1 A 94 94 LEU HA H 338 4.836 5.087 -0.251 1
1 1097 . 6 1 1 A 94 94 LEU C C 338 175.099 174.591 0.508 1
1 1098 . 6 1 1 A 94 94 LEU CA C 338 53.725 53.686 0.039 1
1 1099 . 6 1 1 A 94 94 LEU CB C 338 44.955 44.794 0.161 1
1 1103 . 6 1 1 A 94 94 LEU N N 338 133.816 128.540 5.276 1
1 1104 . 6 1 1 A 95 95 ASP H H 339 8.747 9.252 -0.505 1
1 1105 . 6 1 1 A 95 95 ASP HA H 339 4.871 4.778 0.093 1
1 1108 . 6 1 1 A 95 95 ASP C C 339 174.295 174.739 -0.444 1
1 1109 . 6 1 1 A 95 95 ASP CA C 339 53.311 52.974 0.337 1
1 1110 . 6 1 1 A 95 95 ASP CB C 339 42.895 40.553 2.342 1
1 1111 . 6 1 1 A 95 95 ASP N N 339 134.770 128.557 6.213 1
1 1112 . 6 1 1 A 96 96 VAL H H 340 7.745 8.160 -0.415 1
1 1113 . 6 1 1 A 96 96 VAL HA H 340 4.653 4.009 0.644 1
1 1121 . 6 1 1 A 96 96 VAL C C 340 175.494 175.604 -0.110 1
1 1122 . 6 1 1 A 96 96 VAL CA C 340 60.722 62.976 -2.254 1
1 1123 . 6 1 1 A 96 96 VAL CB C 340 33.852 31.773 2.079 1
1 1126 . 6 1 1 A 96 96 VAL N N 340 128.328 125.358 2.970 1
1 1127 . 6 1 1 A 97 97 LEU H H 341 8.524 8.964 -0.440 1
1 1128 . 6 1 1 A 97 97 LEU HA H 341 4.243 4.599 -0.356 1
1 1138 . 6 1 1 A 97 97 LEU C C 341 176.052 176.493 -0.441 1
1 1139 . 6 1 1 A 97 97 LEU CA C 341 54.086 54.206 -0.120 1
1 1140 . 6 1 1 A 97 97 LEU CB C 341 41.446 41.023 0.423 1
1 1144 . 6 1 1 A 97 97 LEU N N 341 136.554 129.364 7.190 1
1 1145 . 6 1 1 A 98 98 ALA H H 342 8.344 8.664 -0.320 1
1 1146 . 6 1 1 A 98 98 ALA HA H 342 4.227 4.401 -0.174 1
1 1150 . 6 1 1 A 98 98 ALA C C 342 177.569 178.681 -1.112 1
1 1151 . 6 1 1 A 98 98 ALA CA C 342 51.964 52.469 -0.505 1
1 1152 . 6 1 1 A 98 98 ALA CB C 342 19.976 19.104 0.872 1
1 1153 . 6 1 1 A 98 98 ALA N N 342 134.558 128.386 6.172 1
1 1154 . 6 1 1 A 99 99 LYS H H 343 8.552 8.869 -0.317 1
1 1155 . 6 1 1 A 99 99 LYS HA H 343 4.119 4.066 0.053 1
1 1164 . 6 1 1 A 99 99 LYS C C 343 175.859 178.502 -2.643 1
1 1165 . 6 1 1 A 99 99 LYS CA C 343 56.453 58.706 -2.253 1
1 1166 . 6 1 1 A 99 99 LYS CB C 343 33.257 32.164 1.093 1
1 1170 . 6 1 1 A 99 99 LYS N N 343 128.906 121.227 7.679 1
1 4 . 7 1 1 A 2 2 ALA HA H -3 4.167 4.441 -0.274 1
1 8 . 7 1 1 A 2 2 ALA C C -3 177.254 177.018 0.236 1
1 9 . 7 1 1 A 2 2 ALA CA C -3 52.427 52.168 0.259 1
1 10 . 7 1 1 A 2 2 ALA CB C -3 19.740 19.943 -0.203 1
1 11 . 7 1 1 A 3 3 MET H H -2 8.135 8.672 -0.537 1
1 12 . 7 1 1 A 3 3 MET HA H -2 4.351 4.985 -0.634 1
1 20 . 7 1 1 A 3 3 MET C C -2 176.007 174.694 1.313 1
1 21 . 7 1 1 A 3 3 MET CA C -2 55.444 53.465 1.979 1
1 22 . 7 1 1 A 3 3 MET CB C -2 34.277 36.018 -1.741 1
1 25 . 7 1 1 A 3 3 MET N N -2 125.628 114.862 10.766 1
1 43 . 7 1 1 A 6 6 PRO HA H 250 4.591 4.717 -0.126 1
1 50 . 7 1 1 A 6 6 PRO C C 250 175.444 175.444 0.000 1
1 51 . 7 1 1 A 6 6 PRO CA C 250 61.829 62.873 -1.044 1
1 52 . 7 1 1 A 6 6 PRO CB C 250 32.464 32.055 0.409 1
1 55 . 7 1 1 A 7 7 ARG H H 251 7.588 8.806 -1.218 1
1 56 . 7 1 1 A 7 7 ARG HA H 251 4.078 4.794 -0.716 1
1 64 . 7 1 1 A 7 7 ARG C C 251 175.065 175.133 -0.068 1
1 65 . 7 1 1 A 7 7 ARG CA C 251 54.552 55.318 -0.766 1
1 66 . 7 1 1 A 7 7 ARG CB C 251 33.587 33.929 -0.342 1
1 69 . 7 1 1 A 7 7 ARG N N 251 124.900 122.952 1.948 1
1 71 . 7 1 1 A 8 8 PHE H H 252 8.893 8.943 -0.050 1
1 72 . 7 1 1 A 8 8 PHE HA H 252 4.708 4.469 0.239 1
1 80 . 7 1 1 A 8 8 PHE CA C 252 59.744 59.933 -0.189 1
1 81 . 7 1 1 A 8 8 PHE CB C 252 39.263 39.561 -0.298 1
1 85 . 7 1 1 A 8 8 PHE N N 252 128.828 125.101 3.727 1
1 86 . 7 1 1 A 9 9 ILE H H 253 8.223 8.592 -0.369 1
1 87 . 7 1 1 A 9 9 ILE HA H 253 4.090 4.274 -0.184 1
1 97 . 7 1 1 A 9 9 ILE C C 253 175.698 176.068 -0.370 1
1 98 . 7 1 1 A 9 9 ILE CA C 253 61.230 62.434 -1.204 1
1 99 . 7 1 1 A 9 9 ILE CB C 253 39.165 38.909 0.256 1
1 103 . 7 1 1 A 9 9 ILE N N 253 128.239 124.736 3.503 1
1 104 . 7 1 1 A 10 10 GLN H H 254 7.437 7.490 -0.053 1
1 105 . 7 1 1 A 10 10 GLN HA H 254 4.450 4.761 -0.311 1
1 112 . 7 1 1 A 10 10 GLN C C 254 174.149 174.110 0.039 1
1 113 . 7 1 1 A 10 10 GLN CA C 254 56.197 55.423 0.774 1
1 114 . 7 1 1 A 10 10 GLN CB C 254 32.367 32.174 0.193 1
1 116 . 7 1 1 A 10 10 GLN N N 254 127.323 116.653 10.670 1
1 118 . 7 1 1 A 11 11 VAL H H 255 8.283 8.705 -0.422 1
1 119 . 7 1 1 A 11 11 VAL HA H 255 4.185 4.522 -0.337 1
1 127 . 7 1 1 A 11 11 VAL CA C 255 57.931 57.808 0.123 1
1 128 . 7 1 1 A 11 11 VAL CB C 255 33.230 33.700 -0.470 1
1 131 . 7 1 1 A 11 11 VAL N N 255 126.734 120.026 6.708 1
1 132 . 7 1 1 A 12 12 PRO HA H 256 4.538 4.390 0.148 1
1 139 . 7 1 1 A 12 12 PRO CA C 256 62.209 62.245 -0.036 1
1 140 . 7 1 1 A 12 12 PRO CB C 256 31.724 31.886 -0.162 1
1 143 . 7 1 1 A 13 13 GLU H H 257 7.870 8.488 -0.618 1
1 144 . 7 1 1 A 13 13 GLU HA H 257 4.257 4.452 -0.195 1
1 149 . 7 1 1 A 13 13 GLU CA C 257 54.764 56.270 -1.506 1
1 150 . 7 1 1 A 13 13 GLU CB C 257 31.690 30.435 1.255 1
1 152 . 7 1 1 A 13 13 GLU N N 257 124.369 121.187 3.182 1
1 153 . 7 1 1 A 14 14 ASN H H 258 8.133 8.594 -0.461 1
1 154 . 7 1 1 A 14 14 ASN HA H 258 4.639 4.746 -0.107 1
1 159 . 7 1 1 A 14 14 ASN CA C 258 54.285 53.597 0.688 1
1 160 . 7 1 1 A 14 14 ASN CB C 258 38.023 38.750 -0.727 1
1 161 . 7 1 1 A 14 14 ASN N N 258 123.151 120.425 2.726 1
1 163 . 7 1 1 A 15 15 MET H H 259 8.295 9.035 -0.740 1
1 164 . 7 1 1 A 15 15 MET HA H 259 4.695 5.291 -0.596 1
1 172 . 7 1 1 A 15 15 MET C C 259 174.675 174.374 0.301 1
1 173 . 7 1 1 A 15 15 MET CA C 259 55.153 54.184 0.969 1
1 174 . 7 1 1 A 15 15 MET CB C 259 38.064 37.239 0.825 1
1 177 . 7 1 1 A 15 15 MET N N 259 125.442 120.488 4.954 1
1 178 . 7 1 1 A 16 16 SER H H 260 8.332 8.838 -0.506 1
1 179 . 7 1 1 A 16 16 SER HA H 260 5.261 5.446 -0.185 1
1 182 . 7 1 1 A 16 16 SER C C 260 172.889 173.008 -0.119 1
1 183 . 7 1 1 A 16 16 SER CA C 260 56.748 57.482 -0.734 1
1 184 . 7 1 1 A 16 16 SER CB C 260 64.170 65.132 -0.962 1
1 185 . 7 1 1 A 16 16 SER N N 260 125.417 114.043 11.374 1
1 186 . 7 1 1 A 17 17 ILE H H 261 8.394 9.115 -0.721 1
1 187 . 7 1 1 A 17 17 ILE HA H 261 4.366 4.603 -0.237 1
1 197 . 7 1 1 A 17 17 ILE C C 261 173.465 175.258 -1.793 1
1 198 . 7 1 1 A 17 17 ILE CA C 261 57.461 60.209 -2.748 1
1 199 . 7 1 1 A 17 17 ILE CB C 261 41.882 41.136 0.746 1
1 203 . 7 1 1 A 17 17 ILE N N 261 131.680 126.311 5.369 1
1 204 . 7 1 1 A 18 18 ASP H H 262 8.043 8.806 -0.763 1
1 205 . 7 1 1 A 18 18 ASP HA H 262 4.498 4.569 -0.071 1
1 208 . 7 1 1 A 18 18 ASP C C 262 174.970 175.868 -0.898 1
1 209 . 7 1 1 A 18 18 ASP CA C 262 54.962 54.719 0.243 1
1 210 . 7 1 1 A 18 18 ASP CB C 262 41.518 41.108 0.410 1
1 211 . 7 1 1 A 18 18 ASP N N 262 132.455 127.922 4.533 1
1 212 . 7 1 1 A 19 19 GLU H H 263 8.058 8.782 -0.724 1
1 213 . 7 1 1 A 19 19 GLU HA H 263 3.322 3.905 -0.583 1
1 218 . 7 1 1 A 19 19 GLU C C 263 176.656 177.247 -0.591 1
1 219 . 7 1 1 A 19 19 GLU CA C 263 58.351 58.297 0.054 1
1 220 . 7 1 1 A 19 19 GLU CB C 263 29.716 29.265 0.451 1
1 222 . 7 1 1 A 19 19 GLU N N 263 126.424 124.957 1.467 1
1 223 . 7 1 1 A 20 20 GLY H H 264 9.131 8.864 0.267 1
1 224 . 7 1 1 A 20 20 GLY HA2 H 264 3.366 3.988 -0.622 1
1 225 . 7 1 1 A 20 20 GLY HA3 H 264 4.196 3.991 0.205 1
1 226 . 7 1 1 A 20 20 GLY C C 264 174.582 174.691 -0.109 1
1 227 . 7 1 1 A 20 20 GLY CA C 264 44.837 45.064 -0.227 1
1 228 . 7 1 1 A 20 20 GLY N N 264 119.124 114.915 4.209 1
1 229 . 7 1 1 A 21 21 ARG H H 265 7.192 7.440 -0.248 1
1 230 . 7 1 1 A 21 21 ARG HA H 265 4.377 4.406 -0.029 1
1 238 . 7 1 1 A 21 21 ARG C C 265 174.091 175.797 -1.706 1
1 239 . 7 1 1 A 21 21 ARG CA C 265 55.263 55.930 -0.667 1
1 240 . 7 1 1 A 21 21 ARG CB C 265 31.467 31.718 -0.251 1
1 243 . 7 1 1 A 21 21 ARG N N 265 126.182 120.392 5.790 1
1 245 . 7 1 1 A 22 22 PHE H H 266 7.699 8.837 -1.138 1
1 246 . 7 1 1 A 22 22 PHE HA H 266 4.688 5.020 -0.332 1
1 254 . 7 1 1 A 22 22 PHE C C 266 175.911 174.972 0.939 1
1 255 . 7 1 1 A 22 22 PHE CA C 266 57.132 59.202 -2.070 1
1 256 . 7 1 1 A 22 22 PHE CB C 266 41.270 40.076 1.194 1
1 260 . 7 1 1 A 22 22 PHE N N 266 127.111 122.727 4.384 1
1 261 . 7 1 1 A 23 23 CYS H H 267 8.140 8.309 -0.169 1
1 262 . 7 1 1 A 23 23 CYS HA H 267 4.282 5.041 -0.759 1
1 265 . 7 1 1 A 23 23 CYS C C 267 170.233 172.727 -2.494 1
1 266 . 7 1 1 A 23 23 CYS CA C 267 57.626 57.765 -0.139 1
1 267 . 7 1 1 A 23 23 CYS CB C 267 30.411 32.403 -1.992 1
1 268 . 7 1 1 A 23 23 CYS N N 267 130.194 125.550 4.644 1
1 269 . 7 1 1 A 24 24 ARG H H 268 8.160 8.937 -0.777 1
1 270 . 7 1 1 A 24 24 ARG HA H 268 5.167 5.219 -0.052 1
1 278 . 7 1 1 A 24 24 ARG CA C 268 53.910 54.000 -0.090 1
1 279 . 7 1 1 A 24 24 ARG CB C 268 35.114 34.241 0.873 1
1 283 . 7 1 1 A 25 25 MET H H 269 8.839 8.750 0.089 1
1 284 . 7 1 1 A 25 25 MET HA H 269 4.518 5.511 -0.993 1
1 292 . 7 1 1 A 25 25 MET C C 269 174.090 174.724 -0.634 1
1 293 . 7 1 1 A 25 25 MET CA C 269 54.960 53.898 1.062 1
1 294 . 7 1 1 A 25 25 MET CB C 269 35.645 36.887 -1.242 1
1 297 . 7 1 1 A 25 25 MET N N 269 127.757 119.299 8.458 1
1 298 . 7 1 1 A 26 26 ASP H H 270 8.473 8.930 -0.457 1
1 299 . 7 1 1 A 26 26 ASP HA H 270 5.772 5.465 0.307 1
1 302 . 7 1 1 A 26 26 ASP CA C 270 53.157 53.416 -0.259 1
1 303 . 7 1 1 A 26 26 ASP CB C 270 43.595 42.316 1.279 1
1 304 . 7 1 1 A 26 26 ASP N N 270 129.880 120.645 9.235 1
1 305 . 7 1 1 A 27 27 PHE H H 271 9.180 9.278 -0.098 1
1 306 . 7 1 1 A 27 27 PHE HA H 271 5.014 5.108 -0.094 1
1 314 . 7 1 1 A 27 27 PHE CA C 271 55.904 56.256 -0.352 1
1 317 . 7 1 1 A 27 27 PHE N N 271 123.116 123.791 -0.675 1
1 318 . 7 1 1 A 28 28 LYS H H 272 9.221 8.825 0.396 1
1 327 . 7 1 1 A 28 28 LYS CA C 272 59.294 56.180 3.114 1
1 328 . 7 1 1 A 28 28 LYS CB C 272 38.090 33.197 4.893 1
1 332 . 7 1 1 A 28 28 LYS N N 272 131.321 125.299 6.022 1
1 333 . 7 1 1 A 29 29 VAL H H 273 8.304 8.432 -0.128 1
1 334 . 7 1 1 A 29 29 VAL HA H 273 4.331 4.856 -0.525 1
1 342 . 7 1 1 A 29 29 VAL C C 273 175.240 173.393 1.847 1
1 343 . 7 1 1 A 29 29 VAL CA C 273 61.020 59.293 1.727 1
1 344 . 7 1 1 A 29 29 VAL CB C 273 33.889 35.699 -1.810 1
1 347 . 7 1 1 A 30 30 SER H H 274 8.545 8.358 0.187 1
1 348 . 7 1 1 A 30 30 SER HA H 274 4.647 5.463 -0.816 1
1 351 . 7 1 1 A 30 30 SER C C 274 172.993 174.155 -1.162 1
1 352 . 7 1 1 A 30 30 SER CA C 274 56.505 57.200 -0.695 1
1 353 . 7 1 1 A 30 30 SER CB C 274 65.805 65.275 0.530 1
1 354 . 7 1 1 A 30 30 SER N N 274 129.796 123.246 6.550 1
1 355 . 7 1 1 A 31 31 GLY H H 275 7.712 8.379 -0.667 1
1 356 . 7 1 1 A 31 31 GLY HA2 H 275 3.220 4.253 -1.033 1
1 357 . 7 1 1 A 31 31 GLY HA3 H 275 3.649 4.255 -0.606 1
1 358 . 7 1 1 A 31 31 GLY C C 275 170.984 171.883 -0.899 1
1 359 . 7 1 1 A 31 31 GLY CA C 275 45.099 45.578 -0.479 1
1 360 . 7 1 1 A 31 31 GLY N N 275 115.009 111.645 3.364 1
1 361 . 7 1 1 A 32 32 LEU H H 276 7.668 8.648 -0.980 1
1 362 . 7 1 1 A 32 32 LEU HA H 276 4.301 4.939 -0.638 1
1 372 . 7 1 1 A 32 32 LEU C C 276 173.812 174.673 -0.861 1
1 373 . 7 1 1 A 32 32 LEU CA C 276 52.370 51.439 0.931 1
1 374 . 7 1 1 A 32 32 LEU CB C 276 45.554 46.062 -0.508 1
1 378 . 7 1 1 A 32 32 LEU N N 276 129.727 120.870 8.857 1
1 379 . 7 1 1 A 33 33 PRO HA H 277 4.416 4.651 -0.235 1
1 386 . 7 1 1 A 33 33 PRO CA C 277 62.576 62.363 0.213 1
1 387 . 7 1 1 A 33 33 PRO CB C 277 35.012 32.681 2.331 1
1 390 . 7 1 1 A 34 34 ALA H H 278 8.598 8.342 0.256 1
1 391 . 7 1 1 A 34 34 ALA HA H 278 4.153 4.332 -0.179 1
1 395 . 7 1 1 A 34 34 ALA CA C 278 50.822 50.694 0.128 1
1 396 . 7 1 1 A 34 34 ALA CB C 278 17.462 18.998 -1.536 1
1 397 . 7 1 1 A 34 34 ALA N N 278 131.518 124.363 7.155 1
1 398 . 7 1 1 A 35 35 PRO HA H 279 4.206 4.665 -0.459 1
1 405 . 7 1 1 A 35 35 PRO C C 279 175.701 176.033 -0.332 1
1 406 . 7 1 1 A 35 35 PRO CA C 279 62.628 62.353 0.275 1
1 407 . 7 1 1 A 35 35 PRO CB C 279 33.069 32.475 0.594 1
1 410 . 7 1 1 A 36 36 ASP H H 280 8.621 8.771 -0.150 1
1 411 . 7 1 1 A 36 36 ASP HA H 280 4.659 4.643 0.016 1
1 414 . 7 1 1 A 36 36 ASP C C 280 176.057 175.247 0.810 1
1 415 . 7 1 1 A 36 36 ASP CA C 280 54.307 53.832 0.475 1
1 416 . 7 1 1 A 36 36 ASP CB C 280 42.741 41.904 0.837 1
1 417 . 7 1 1 A 36 36 ASP N N 280 127.555 121.938 5.617 1
1 418 . 7 1 1 A 37 37 VAL H H 281 8.635 8.540 0.095 1
1 419 . 7 1 1 A 37 37 VAL HA H 281 4.938 4.884 0.054 1
1 427 . 7 1 1 A 37 37 VAL CA C 281 61.135 60.394 0.741 1
1 428 . 7 1 1 A 37 37 VAL CB C 281 34.579 34.729 -0.150 1
1 431 . 7 1 1 A 38 38 SER H H 282 8.591 8.591 0.000 1
1 432 . 7 1 1 A 38 38 SER HA H 282 4.518 5.427 -0.909 1
1 435 . 7 1 1 A 38 38 SER CA C 282 57.540 56.606 0.934 1
1 436 . 7 1 1 A 38 38 SER CB C 282 66.530 65.812 0.718 1
1 437 . 7 1 1 A 38 38 SER N N 282 128.264 125.517 2.747 1
1 438 . 7 1 1 A 39 39 TRP H H 283 8.426 8.609 -0.183 1
1 439 . 7 1 1 A 39 39 TRP HA H 283 5.297 5.584 -0.287 1
1 448 . 7 1 1 A 39 39 TRP CA C 283 56.298 56.028 0.270 1
1 449 . 7 1 1 A 39 39 TRP CB C 283 33.153 33.416 -0.263 1
1 455 . 7 1 1 A 39 39 TRP N N 283 127.698 123.250 4.448 1
1 456 . 7 1 1 A 40 40 TYR H H 284 9.373 9.276 0.097 1
1 457 . 7 1 1 A 40 40 TYR HA H 284 4.903 5.366 -0.463 1
1 464 . 7 1 1 A 40 40 TYR C C 284 174.148 174.568 -0.420 1
1 465 . 7 1 1 A 40 40 TYR CA C 284 56.849 56.174 0.675 1
1 466 . 7 1 1 A 40 40 TYR CB C 284 42.754 43.337 -0.583 1
1 469 . 7 1 1 A 40 40 TYR N N 284 125.437 119.812 5.625 1
1 470 . 7 1 1 A 41 41 LEU H H 285 8.898 9.132 -0.234 1
1 471 . 7 1 1 A 41 41 LEU HA H 285 4.255 4.593 -0.338 1
1 481 . 7 1 1 A 41 41 LEU C C 285 176.606 175.462 1.144 1
1 482 . 7 1 1 A 41 41 LEU CA C 285 53.659 54.083 -0.424 1
1 483 . 7 1 1 A 41 41 LEU CB C 285 43.740 44.859 -1.119 1
1 487 . 7 1 1 A 41 41 LEU N N 285 129.512 122.537 6.975 1
1 488 . 7 1 1 A 42 42 ASN H H 286 9.454 9.464 -0.010 1
1 489 . 7 1 1 A 42 42 ASN HA H 286 4.221 4.416 -0.195 1
1 494 . 7 1 1 A 42 42 ASN C C 286 175.692 175.332 0.360 1
1 495 . 7 1 1 A 42 42 ASN CA C 286 54.239 54.349 -0.110 1
1 496 . 7 1 1 A 42 42 ASN CB C 286 37.331 36.914 0.417 1
1 497 . 7 1 1 A 42 42 ASN N N 286 134.097 125.981 8.116 1
1 499 . 7 1 1 A 43 43 GLY H H 287 8.709 8.374 0.335 1
1 500 . 7 1 1 A 43 43 GLY HA2 H 287 3.356 3.992 -0.636 1
1 501 . 7 1 1 A 43 43 GLY HA3 H 287 3.995 3.998 -0.003 1
1 502 . 7 1 1 A 43 43 GLY C C 287 173.786 174.129 -0.343 1
1 503 . 7 1 1 A 43 43 GLY CA C 287 45.450 45.061 0.389 1
1 504 . 7 1 1 A 43 43 GLY N N 287 108.807 105.139 3.668 1
1 505 . 7 1 1 A 44 44 ARG H H 288 7.902 7.815 0.087 1
1 506 . 7 1 1 A 44 44 ARG HA H 288 4.697 4.794 -0.097 1
1 514 . 7 1 1 A 44 44 ARG C C 288 175.799 175.916 -0.117 1
1 515 . 7 1 1 A 44 44 ARG CA C 288 54.658 55.055 -0.397 1
1 516 . 7 1 1 A 44 44 ARG CB C 288 32.436 32.347 0.089 1
1 519 . 7 1 1 A 44 44 ARG N N 288 127.837 119.024 8.813 1
1 521 . 7 1 1 A 45 45 THR H H 289 8.539 8.726 -0.187 1
1 522 . 7 1 1 A 45 45 THR HA H 289 3.763 4.068 -0.305 1
1 527 . 7 1 1 A 45 45 THR C C 289 174.692 174.392 0.300 1
1 528 . 7 1 1 A 45 45 THR CA C 289 63.977 61.886 2.091 1
1 529 . 7 1 1 A 45 45 THR CB C 289 69.706 69.710 -0.004 1
1 531 . 7 1 1 A 45 45 THR N N 289 126.100 113.022 13.078 1
1 532 . 7 1 1 A 46 46 VAL H H 290 8.033 8.269 -0.236 1
1 533 . 7 1 1 A 46 46 VAL HA H 290 3.647 4.492 -0.845 1
1 541 . 7 1 1 A 46 46 VAL C C 290 174.672 175.440 -0.768 1
1 542 . 7 1 1 A 46 46 VAL CA C 290 62.458 61.388 1.070 1
1 543 . 7 1 1 A 46 46 VAL CB C 290 32.500 34.190 -1.690 1
1 546 . 7 1 1 A 46 46 VAL N N 290 134.795 121.478 13.317 1
1 547 . 7 1 1 A 47 47 GLN H H 291 8.124 8.607 -0.483 1
1 548 . 7 1 1 A 47 47 GLN HA H 291 4.281 4.311 -0.030 1
1 555 . 7 1 1 A 47 47 GLN C C 291 175.398 175.412 -0.014 1
1 556 . 7 1 1 A 47 47 GLN CA C 291 54.235 56.099 -1.864 1
1 557 . 7 1 1 A 47 47 GLN CB C 291 30.283 29.585 0.698 1
1 559 . 7 1 1 A 47 47 GLN N N 291 132.792 127.056 5.736 1
1 561 . 7 1 1 A 48 48 SER H H 292 8.280 8.533 -0.253 1
1 562 . 7 1 1 A 48 48 SER HA H 292 4.308 4.519 -0.211 1
1 565 . 7 1 1 A 48 48 SER C C 292 174.304 173.687 0.617 1
1 566 . 7 1 1 A 48 48 SER CA C 292 58.222 58.281 -0.059 1
1 567 . 7 1 1 A 48 48 SER CB C 292 63.719 64.001 -0.282 1
1 568 . 7 1 1 A 48 48 SER N N 292 123.481 116.253 7.228 1
1 569 . 7 1 1 A 49 49 ASP H H 293 9.050 8.665 0.385 1
1 570 . 7 1 1 A 49 49 ASP HA H 293 4.482 4.905 -0.423 1
1 573 . 7 1 1 A 49 49 ASP C C 293 176.099 175.894 0.205 1
1 574 . 7 1 1 A 49 49 ASP CA C 293 53.668 53.142 0.526 1
1 575 . 7 1 1 A 49 49 ASP CB C 293 40.100 42.491 -2.391 1
1 576 . 7 1 1 A 49 49 ASP N N 293 131.157 120.453 10.704 1
1 577 . 7 1 1 A 50 50 ASP H H 294 8.324 8.870 -0.546 1
1 578 . 7 1 1 A 50 50 ASP HA H 294 4.167 4.281 -0.114 1
1 581 . 7 1 1 A 50 50 ASP C C 294 176.520 177.663 -1.143 1
1 582 . 7 1 1 A 50 50 ASP CA C 294 57.367 56.792 0.575 1
1 583 . 7 1 1 A 50 50 ASP CB C 294 40.226 40.445 -0.219 1
1 584 . 7 1 1 A 50 50 ASP N N 294 122.206 118.991 3.215 1
1 585 . 7 1 1 A 51 51 LEU H H 295 7.749 7.787 -0.038 1
1 586 . 7 1 1 A 51 51 LEU HA H 295 4.281 4.206 0.075 1
1 596 . 7 1 1 A 51 51 LEU C C 295 175.716 176.466 -0.750 1
1 597 . 7 1 1 A 51 51 LEU CA C 295 54.407 54.943 -0.536 1
1 598 . 7 1 1 A 51 51 LEU CB C 295 43.849 41.938 1.911 1
1 602 . 7 1 1 A 51 51 LEU N N 295 121.836 117.494 4.342 1
1 603 . 7 1 1 A 52 52 HIS H H 296 7.548 7.660 -0.112 1
1 604 . 7 1 1 A 52 52 HIS HA H 296 5.091 4.848 0.243 1
1 609 . 7 1 1 A 52 52 HIS C C 296 172.683 173.930 -1.247 1
1 610 . 7 1 1 A 52 52 HIS CA C 296 54.900 53.795 1.105 1
1 611 . 7 1 1 A 52 52 HIS CB C 296 28.894 29.270 -0.376 1
1 614 . 7 1 1 A 52 52 HIS N N 296 126.326 116.225 10.101 1
1 615 . 7 1 1 A 53 53 LYS H H 297 8.515 8.543 -0.028 1
1 616 . 7 1 1 A 53 53 LYS HA H 297 4.608 4.246 0.362 1
1 625 . 7 1 1 A 53 53 LYS C C 297 174.797 175.506 -0.709 1
1 626 . 7 1 1 A 53 53 LYS CA C 297 54.303 56.810 -2.507 1
1 627 . 7 1 1 A 53 53 LYS CB C 297 35.705 33.158 2.547 1
1 631 . 7 1 1 A 53 53 LYS N N 297 127.067 122.636 4.431 1
1 632 . 7 1 1 A 54 54 MET H H 298 8.379 8.836 -0.457 1
1 633 . 7 1 1 A 54 54 MET HA H 298 5.091 5.138 -0.047 1
1 641 . 7 1 1 A 54 54 MET CA C 298 55.427 54.557 0.870 1
1 642 . 7 1 1 A 54 54 MET CB C 298 34.100 35.219 -1.119 1
1 645 . 7 1 1 A 54 54 MET N N 298 128.992 120.770 8.222 1
1 646 . 7 1 1 A 55 55 ILE H H 299 8.279 8.693 -0.414 1
1 647 . 7 1 1 A 55 55 ILE HA H 299 4.602 5.122 -0.520 1
1 657 . 7 1 1 A 55 55 ILE CA C 299 59.130 58.864 0.266 1
1 658 . 7 1 1 A 55 55 ILE CB C 299 42.747 42.523 0.224 1
1 662 . 7 1 1 A 56 56 VAL H H 300 9.227 8.458 0.769 1
1 663 . 7 1 1 A 56 56 VAL HA H 300 4.912 4.678 0.234 1
1 671 . 7 1 1 A 56 56 VAL CA C 300 59.226 60.855 -1.629 1
1 672 . 7 1 1 A 56 56 VAL CB C 300 36.406 35.344 1.062 1
1 675 . 7 1 1 A 57 57 SER H H 301 8.794 8.851 -0.057 1
1 676 . 7 1 1 A 57 57 SER HA H 301 4.575 4.637 -0.062 1
1 679 . 7 1 1 A 57 57 SER CA C 301 56.558 57.579 -1.021 1
1 680 . 7 1 1 A 57 57 SER CB C 301 65.617 65.212 0.405 1
1 681 . 7 1 1 A 57 57 SER N N 301 128.893 121.525 7.368 1
1 682 . 7 1 1 A 58 58 GLU HA H 302 4.013 4.054 -0.041 1
1 687 . 7 1 1 A 58 58 GLU CA C 302 58.165 59.363 -1.198 1
1 688 . 7 1 1 A 58 58 GLU CB C 302 29.508 29.622 -0.114 1
1 690 . 7 1 1 A 59 59 LYS HA H 303 4.114 4.508 -0.394 1
1 699 . 7 1 1 A 59 59 LYS C C 303 176.755 176.955 -0.200 1
1 700 . 7 1 1 A 59 59 LYS CA C 303 55.913 55.741 0.172 1
1 701 . 7 1 1 A 59 59 LYS CB C 303 31.679 33.583 -1.904 1
1 705 . 7 1 1 A 60 60 GLY H H 304 7.813 8.118 -0.305 1
1 706 . 7 1 1 A 60 60 GLY HA2 H 304 4.037 4.046 -0.009 1
1 707 . 7 1 1 A 60 60 GLY HA3 H 304 3.411 4.071 -0.660 1
1 708 . 7 1 1 A 60 60 GLY C C 304 173.480 174.260 -0.780 1
1 709 . 7 1 1 A 60 60 GLY CA C 304 45.955 45.388 0.567 1
1 710 . 7 1 1 A 60 60 GLY N N 304 113.597 107.430 6.167 1
1 711 . 7 1 1 A 61 61 LEU H H 305 7.253 7.925 -0.672 1
1 712 . 7 1 1 A 61 61 LEU HA H 305 4.396 4.632 -0.236 1
1 722 . 7 1 1 A 61 61 LEU CA C 305 54.825 54.148 0.677 1
1 723 . 7 1 1 A 61 61 LEU CB C 305 43.099 41.907 1.192 1
1 727 . 7 1 1 A 61 61 LEU N N 305 128.081 123.772 4.309 1
1 728 . 7 1 1 A 62 62 HIS H H 306 8.294 9.041 -0.747 1
1 733 . 7 1 1 A 62 62 HIS N N 306 130.344 126.307 4.037 1
1 734 . 7 1 1 A 63 63 SER HA H 307 5.980 5.201 0.779 1
1 737 . 7 1 1 A 63 63 SER CA C 307 57.517 57.619 -0.102 1
1 738 . 7 1 1 A 63 63 SER CB C 307 66.760 65.033 1.727 1
1 739 . 7 1 1 A 64 64 LEU H H 308 8.827 8.990 -0.163 1
1 740 . 7 1 1 A 64 64 LEU HA H 308 4.657 4.672 -0.015 1
1 750 . 7 1 1 A 64 64 LEU C C 308 174.337 174.645 -0.308 1
1 751 . 7 1 1 A 64 64 LEU CA C 308 54.386 53.248 1.138 1
1 752 . 7 1 1 A 64 64 LEU CB C 308 42.678 44.447 -1.769 1
1 756 . 7 1 1 A 65 65 ILE H H 309 9.009 8.753 0.256 1
1 757 . 7 1 1 A 65 65 ILE HA H 309 3.880 4.865 -0.985 1
1 767 . 7 1 1 A 65 65 ILE C C 309 173.963 174.660 -0.697 1
1 768 . 7 1 1 A 65 65 ILE CA C 309 60.296 59.735 0.561 1
1 769 . 7 1 1 A 65 65 ILE CB C 309 40.727 41.123 -0.396 1
1 773 . 7 1 1 A 65 65 ILE N N 309 133.046 127.446 5.600 1
1 774 . 7 1 1 A 66 66 PHE H H 310 8.508 8.749 -0.241 1
1 775 . 7 1 1 A 66 66 PHE HA H 310 4.367 4.912 -0.545 1
1 783 . 7 1 1 A 66 66 PHE C C 310 174.555 175.641 -1.086 1
1 784 . 7 1 1 A 66 66 PHE CA C 310 54.878 55.896 -1.018 1
1 785 . 7 1 1 A 66 66 PHE CB C 310 38.819 40.417 -1.598 1
1 789 . 7 1 1 A 66 66 PHE N N 310 132.294 124.015 8.279 1
1 790 . 7 1 1 A 67 67 GLU H H 311 7.879 8.805 -0.926 1
1 791 . 7 1 1 A 67 67 GLU HA H 311 4.025 4.468 -0.443 1
1 796 . 7 1 1 A 67 67 GLU C C 311 177.819 177.207 0.612 1
1 797 . 7 1 1 A 67 67 GLU CA C 311 59.266 59.150 0.116 1
1 798 . 7 1 1 A 67 67 GLU CB C 311 30.421 30.820 -0.399 1
1 800 . 7 1 1 A 67 67 GLU N N 311 127.092 123.814 3.278 1
1 801 . 7 1 1 A 68 68 VAL H H 312 7.428 7.600 -0.172 1
1 802 . 7 1 1 A 68 68 VAL HA H 312 3.402 4.446 -1.044 1
1 810 . 7 1 1 A 68 68 VAL C C 312 173.921 174.127 -0.206 1
1 811 . 7 1 1 A 68 68 VAL CA C 312 61.444 61.123 0.321 1
1 812 . 7 1 1 A 68 68 VAL CB C 312 34.790 32.919 1.871 1
1 815 . 7 1 1 A 68 68 VAL N N 312 120.315 116.833 3.482 1
1 816 . 7 1 1 A 69 69 VAL H H 313 8.233 8.549 -0.316 1
1 817 . 7 1 1 A 69 69 VAL HA H 313 3.829 4.240 -0.411 1
1 825 . 7 1 1 A 69 69 VAL C C 313 175.123 175.321 -0.198 1
1 826 . 7 1 1 A 69 69 VAL CA C 313 63.200 62.770 0.430 1
1 827 . 7 1 1 A 69 69 VAL CB C 313 32.836 32.405 0.431 1
1 830 . 7 1 1 A 69 69 VAL N N 313 132.928 128.920 4.008 1
1 831 . 7 1 1 A 70 70 ARG H H 314 9.259 8.893 0.366 1
1 832 . 7 1 1 A 70 70 ARG HA H 314 4.776 4.806 -0.030 1
1 839 . 7 1 1 A 70 70 ARG C C 314 177.491 176.443 1.048 1
1 840 . 7 1 1 A 70 70 ARG CA C 314 53.728 53.666 0.062 1
1 841 . 7 1 1 A 70 70 ARG CB C 314 34.282 33.459 0.823 1
1 844 . 7 1 1 A 70 70 ARG N N 314 133.209 126.312 6.897 1
1 845 . 7 1 1 A 71 71 ALA H H 315 9.059 9.123 -0.064 1
1 846 . 7 1 1 A 71 71 ALA HA H 315 3.676 4.024 -0.348 1
1 850 . 7 1 1 A 71 71 ALA C C 315 180.122 179.420 0.702 1
1 851 . 7 1 1 A 71 71 ALA CA C 315 56.356 55.137 1.219 1
1 852 . 7 1 1 A 71 71 ALA CB C 315 17.923 18.430 -0.507 1
1 853 . 7 1 1 A 71 71 ALA N N 315 131.839 124.500 7.339 1
1 854 . 7 1 1 A 72 72 SER H H 316 7.735 8.090 -0.355 1
1 855 . 7 1 1 A 72 72 SER HA H 316 4.046 4.146 -0.100 1
1 858 . 7 1 1 A 72 72 SER C C 316 175.495 176.137 -0.642 1
1 859 . 7 1 1 A 72 72 SER CA C 316 60.037 61.041 -1.004 1
1 860 . 7 1 1 A 72 72 SER CB C 316 62.381 63.336 -0.955 1
1 861 . 7 1 1 A 72 72 SER N N 316 115.841 113.454 2.387 1
1 862 . 7 1 1 A 73 73 ASP H H 317 8.175 7.911 0.264 1
1 863 . 7 1 1 A 73 73 ASP HA H 317 4.644 4.717 -0.073 1
1 866 . 7 1 1 A 73 73 ASP C C 317 176.176 176.332 -0.156 1
1 867 . 7 1 1 A 73 73 ASP CA C 317 55.305 55.036 0.269 1
1 868 . 7 1 1 A 73 73 ASP CB C 317 42.572 41.389 1.183 1
1 869 . 7 1 1 A 73 73 ASP N N 317 126.327 119.162 7.165 1
1 870 . 7 1 1 A 74 74 ALA H H 318 7.339 7.016 0.323 1
1 871 . 7 1 1 A 74 74 ALA HA H 318 4.013 4.248 -0.235 1
1 875 . 7 1 1 A 74 74 ALA C C 318 176.813 177.235 -0.422 1
1 876 . 7 1 1 A 74 74 ALA CA C 318 53.570 53.048 0.522 1
1 877 . 7 1 1 A 74 74 ALA CB C 318 20.548 20.642 -0.094 1
1 878 . 7 1 1 A 74 74 ALA N N 318 127.859 121.678 6.181 1
1 879 . 7 1 1 A 75 75 GLY H H 319 8.797 8.814 -0.017 1
1 880 . 7 1 1 A 75 75 GLY HA2 H 319 3.599 4.095 -0.496 1
1 881 . 7 1 1 A 75 75 GLY HA3 H 319 4.239 4.149 0.090 1
1 882 . 7 1 1 A 75 75 GLY C C 319 170.102 172.317 -2.215 1
1 883 . 7 1 1 A 75 75 GLY CA C 319 45.105 44.183 0.922 1
1 884 . 7 1 1 A 75 75 GLY N N 319 114.261 107.177 7.084 1
1 885 . 7 1 1 A 76 76 ALA H H 320 7.621 8.124 -0.503 1
1 886 . 7 1 1 A 76 76 ALA HA H 320 4.521 4.701 -0.180 1
1 890 . 7 1 1 A 76 76 ALA C C 320 176.291 176.482 -0.191 1
1 891 . 7 1 1 A 76 76 ALA CA C 320 51.158 51.571 -0.413 1
1 892 . 7 1 1 A 76 76 ALA CB C 320 19.242 19.015 0.227 1
1 893 . 7 1 1 A 76 76 ALA N N 320 129.042 122.941 6.101 1
1 894 . 7 1 1 A 77 77 TYR H H 321 9.406 8.892 0.514 1
1 895 . 7 1 1 A 77 77 TYR HA H 321 5.237 5.139 0.098 1
1 903 . 7 1 1 A 77 77 TYR C C 321 175.676 176.061 -0.385 1
1 904 . 7 1 1 A 77 77 TYR CA C 321 57.779 58.555 -0.776 1
1 905 . 7 1 1 A 77 77 TYR CB C 321 40.623 39.797 0.826 1
1 908 . 7 1 1 A 77 77 TYR N N 321 132.635 124.436 8.199 1
1 909 . 7 1 1 A 78 78 ALA H H 322 9.084 9.003 0.081 1
1 910 . 7 1 1 A 78 78 ALA HA H 322 5.031 5.376 -0.345 1
1 914 . 7 1 1 A 78 78 ALA CA C 322 50.120 51.168 -1.048 1
1 915 . 7 1 1 A 78 78 ALA CB C 322 21.653 24.012 -2.359 1
1 916 . 7 1 1 A 78 78 ALA N N 322 130.291 122.537 7.754 1
1 917 . 7 1 1 A 79 79 CYS H H 323 7.932 8.919 -0.987 1
1 918 . 7 1 1 A 79 79 CYS HA H 323 4.037 4.828 -0.791 1
1 919 . 7 1 1 A 79 79 CYS C C 323 173.727 172.668 1.059 1
1 920 . 7 1 1 A 79 79 CYS CA C 323 56.345 56.788 -0.443 1
1 921 . 7 1 1 A 80 80 VAL H H 324 8.671 8.694 -0.023 1
1 922 . 7 1 1 A 80 80 VAL HA H 324 4.596 4.673 -0.077 1
1 930 . 7 1 1 A 80 80 VAL C C 324 174.904 174.402 0.502 1
1 931 . 7 1 1 A 80 80 VAL CA C 324 60.907 60.319 0.588 1
1 932 . 7 1 1 A 80 80 VAL CB C 324 34.334 34.459 -0.125 1
1 934 . 7 1 1 A 80 80 VAL N N 324 135.079 125.158 9.921 1
1 935 . 7 1 1 A 81 81 ALA H H 325 9.107 8.868 0.239 1
1 936 . 7 1 1 A 81 81 ALA HA H 325 5.220 5.454 -0.234 1
1 940 . 7 1 1 A 81 81 ALA C C 325 175.446 175.864 -0.418 1
1 941 . 7 1 1 A 81 81 ALA CA C 325 49.197 50.276 -1.079 1
1 942 . 7 1 1 A 81 81 ALA CB C 325 22.479 21.715 0.764 1
1 943 . 7 1 1 A 81 81 ALA N N 325 136.369 128.616 7.753 1
1 944 . 7 1 1 A 82 82 LYS H H 326 8.734 8.950 -0.216 1
1 945 . 7 1 1 A 82 82 LYS HA H 326 5.021 5.142 -0.121 1
1 954 . 7 1 1 A 82 82 LYS C C 326 175.054 175.296 -0.242 1
1 955 . 7 1 1 A 82 82 LYS CA C 326 55.451 54.552 0.899 1
1 956 . 7 1 1 A 82 82 LYS CB C 326 37.852 35.810 2.042 1
1 960 . 7 1 1 A 82 82 LYS N N 326 128.038 122.865 5.173 1
1 961 . 7 1 1 A 83 83 ASN H H 327 8.949 8.924 0.025 1
1 962 . 7 1 1 A 83 83 ASN HA H 327 4.624 5.172 -0.548 1
1 967 . 7 1 1 A 83 83 ASN C C 327 176.409 175.221 1.188 1
1 968 . 7 1 1 A 83 83 ASN CA C 327 51.838 51.461 0.377 1
1 969 . 7 1 1 A 83 83 ASN CB C 327 40.927 40.028 0.899 1
1 970 . 7 1 1 A 83 83 ASN N N 327 128.769 121.700 7.069 1
1 972 . 7 1 1 A 84 84 ARG H H 328 8.203 9.145 -0.942 1
1 973 . 7 1 1 A 84 84 ARG HA H 328 3.917 4.090 -0.173 1
1 981 . 7 1 1 A 84 84 ARG C C 328 175.820 176.223 -0.403 1
1 982 . 7 1 1 A 84 84 ARG CA C 328 58.250 58.048 0.202 1
1 983 . 7 1 1 A 84 84 ARG CB C 328 29.985 29.606 0.379 1
1 986 . 7 1 1 A 84 84 ARG N N 328 121.021 117.713 3.308 1
1 988 . 7 1 1 A 85 85 ALA H H 329 7.599 7.999 -0.400 1
1 989 . 7 1 1 A 85 85 ALA HA H 329 4.279 4.489 -0.210 1
1 993 . 7 1 1 A 85 85 ALA C C 329 177.261 177.008 0.253 1
1 994 . 7 1 1 A 85 85 ALA CA C 329 51.905 51.941 -0.036 1
1 995 . 7 1 1 A 85 85 ALA CB C 329 19.637 20.385 -0.748 1
1 996 . 7 1 1 A 85 85 ALA N N 329 125.074 121.701 3.373 1
1 997 . 7 1 1 A 86 86 GLY H H 330 7.624 7.179 0.445 1
1 998 . 7 1 1 A 86 86 GLY HA2 H 330 3.806 4.055 -0.249 1
1 999 . 7 1 1 A 86 86 GLY HA3 H 330 4.164 4.058 0.106 1
1 1000 . 7 1 1 A 86 86 GLY C C 330 169.646 170.844 -1.198 1
1 1001 . 7 1 1 A 86 86 GLY CA C 330 46.012 45.838 0.174 1
1 1002 . 7 1 1 A 86 86 GLY N N 330 112.891 103.302 9.589 1
1 1003 . 7 1 1 A 87 87 GLU H H 331 8.213 8.453 -0.240 1
1 1004 . 7 1 1 A 87 87 GLU HA H 331 5.274 5.306 -0.032 1
1 1009 . 7 1 1 A 87 87 GLU C C 331 174.418 174.589 -0.171 1
1 1010 . 7 1 1 A 87 87 GLU CA C 331 54.349 54.970 -0.621 1
1 1011 . 7 1 1 A 87 87 GLU CB C 331 34.615 33.538 1.077 1
1 1013 . 7 1 1 A 87 87 GLU N N 331 123.208 120.198 3.010 1
1 1014 . 7 1 1 A 88 88 ALA H H 332 8.897 8.773 0.124 1
1 1015 . 7 1 1 A 88 88 ALA HA H 332 4.569 4.826 -0.257 1
1 1019 . 7 1 1 A 88 88 ALA C C 332 175.121 174.719 0.402 1
1 1020 . 7 1 1 A 88 88 ALA CA C 332 51.592 50.460 1.132 1
1 1021 . 7 1 1 A 88 88 ALA CB C 332 23.324 23.499 -0.175 1
1 1022 . 7 1 1 A 88 88 ALA N N 332 131.757 125.727 6.030 1
1 1023 . 7 1 1 A 89 89 THR H H 333 8.521 7.850 0.671 1
1 1024 . 7 1 1 A 89 89 THR HA H 333 5.661 4.821 0.840 1
1 1029 . 7 1 1 A 89 89 THR C C 333 173.827 172.820 1.007 1
1 1030 . 7 1 1 A 89 89 THR CA C 333 60.601 60.591 0.010 1
1 1031 . 7 1 1 A 89 89 THR CB C 333 72.140 71.838 0.302 1
1 1033 . 7 1 1 A 89 89 THR N N 333 121.100 114.119 6.981 1
1 1034 . 7 1 1 A 90 90 PHE H H 334 8.603 8.713 -0.110 1
1 1035 . 7 1 1 A 90 90 PHE HA H 334 4.624 5.402 -0.778 1
1 1043 . 7 1 1 A 90 90 PHE CA C 334 56.618 56.025 0.593 1
1 1044 . 7 1 1 A 90 90 PHE CB C 334 42.489 43.787 -1.298 1
1 1048 . 7 1 1 A 91 91 THR H H 335 8.174 8.989 -0.815 1
1 1049 . 7 1 1 A 91 91 THR HA H 335 5.445 5.340 0.105 1
1 1054 . 7 1 1 A 91 91 THR CA C 335 60.110 61.571 -1.461 1
1 1055 . 7 1 1 A 91 91 THR CB C 335 71.671 72.368 -0.697 1
1 1057 . 7 1 1 A 92 92 VAL H H 336 9.158 9.031 0.127 1
1 1058 . 7 1 1 A 92 92 VAL HA H 336 4.432 4.951 -0.519 1
1 1066 . 7 1 1 A 92 92 VAL C C 336 171.594 172.822 -1.228 1
1 1067 . 7 1 1 A 92 92 VAL CA C 336 60.914 60.268 0.646 1
1 1068 . 7 1 1 A 92 92 VAL CB C 336 35.760 35.951 -0.191 1
1 1071 . 7 1 1 A 92 92 VAL N N 336 130.220 122.087 8.133 1
1 1072 . 7 1 1 A 93 93 GLN H H 337 8.302 8.995 -0.693 1
1 1073 . 7 1 1 A 93 93 GLN HA H 337 4.756 5.359 -0.603 1
1 1080 . 7 1 1 A 93 93 GLN C C 337 174.009 173.820 0.189 1
1 1081 . 7 1 1 A 93 93 GLN CA C 337 54.672 54.278 0.394 1
1 1082 . 7 1 1 A 93 93 GLN CB C 337 30.071 32.217 -2.146 1
1 1084 . 7 1 1 A 93 93 GLN N N 337 133.412 126.435 6.977 1
1 1086 . 7 1 1 A 94 94 LEU H H 338 8.812 9.248 -0.436 1
1 1087 . 7 1 1 A 94 94 LEU HA H 338 4.836 5.036 -0.200 1
1 1097 . 7 1 1 A 94 94 LEU C C 338 175.099 174.634 0.465 1
1 1098 . 7 1 1 A 94 94 LEU CA C 338 53.725 53.724 0.001 1
1 1099 . 7 1 1 A 94 94 LEU CB C 338 44.955 45.217 -0.262 1
1 1103 . 7 1 1 A 94 94 LEU N N 338 133.816 128.065 5.751 1
1 1104 . 7 1 1 A 95 95 ASP H H 339 8.747 9.277 -0.530 1
1 1105 . 7 1 1 A 95 95 ASP HA H 339 4.871 4.821 0.050 1
1 1108 . 7 1 1 A 95 95 ASP C C 339 174.295 174.738 -0.443 1
1 1109 . 7 1 1 A 95 95 ASP CA C 339 53.311 52.892 0.419 1
1 1110 . 7 1 1 A 95 95 ASP CB C 339 42.895 40.606 2.289 1
1 1111 . 7 1 1 A 95 95 ASP N N 339 134.770 128.695 6.075 1
1 1112 . 7 1 1 A 96 96 VAL H H 340 7.745 8.118 -0.373 1
1 1113 . 7 1 1 A 96 96 VAL HA H 340 4.653 4.070 0.583 1
1 1121 . 7 1 1 A 96 96 VAL C C 340 175.494 175.632 -0.138 1
1 1122 . 7 1 1 A 96 96 VAL CA C 340 60.722 62.958 -2.236 1
1 1123 . 7 1 1 A 96 96 VAL CB C 340 33.852 31.435 2.417 1
1 1126 . 7 1 1 A 96 96 VAL N N 340 128.328 125.108 3.220 1
1 1127 . 7 1 1 A 97 97 LEU H H 341 8.524 8.754 -0.230 1
1 1128 . 7 1 1 A 97 97 LEU HA H 341 4.243 4.583 -0.340 1
1 1138 . 7 1 1 A 97 97 LEU C C 341 176.052 176.664 -0.612 1
1 1139 . 7 1 1 A 97 97 LEU CA C 341 54.086 54.345 -0.259 1
1 1140 . 7 1 1 A 97 97 LEU CB C 341 41.446 40.988 0.458 1
1 1144 . 7 1 1 A 97 97 LEU N N 341 136.554 129.497 7.057 1
1 1145 . 7 1 1 A 98 98 ALA H H 342 8.344 8.686 -0.342 1
1 1146 . 7 1 1 A 98 98 ALA HA H 342 4.227 4.300 -0.073 1
1 1150 . 7 1 1 A 98 98 ALA C C 342 177.569 178.294 -0.725 1
1 1151 . 7 1 1 A 98 98 ALA CA C 342 51.964 52.265 -0.301 1
1 1152 . 7 1 1 A 98 98 ALA CB C 342 19.976 19.363 0.613 1
1 1153 . 7 1 1 A 98 98 ALA N N 342 134.558 128.390 6.168 1
1 1154 . 7 1 1 A 99 99 LYS H H 343 8.552 8.976 -0.424 1
1 1155 . 7 1 1 A 99 99 LYS HA H 343 4.119 4.058 0.061 1
1 1164 . 7 1 1 A 99 99 LYS C C 343 175.859 178.275 -2.416 1
1 1165 . 7 1 1 A 99 99 LYS CA C 343 56.453 59.102 -2.649 1
1 1166 . 7 1 1 A 99 99 LYS CB C 343 33.257 32.540 0.717 1
1 1170 . 7 1 1 A 99 99 LYS N N 343 128.906 121.963 6.943 1
1 4 . 8 1 1 A 2 2 ALA HA H -3 4.167 4.379 -0.212 1
1 8 . 8 1 1 A 2 2 ALA C C -3 177.254 177.029 0.225 1
1 9 . 8 1 1 A 2 2 ALA CA C -3 52.427 52.104 0.323 1
1 10 . 8 1 1 A 2 2 ALA CB C -3 19.740 20.052 -0.312 1
1 11 . 8 1 1 A 3 3 MET H H -2 8.135 8.665 -0.530 1
1 12 . 8 1 1 A 3 3 MET HA H -2 4.351 4.985 -0.634 1
1 20 . 8 1 1 A 3 3 MET C C -2 176.007 174.775 1.232 1
1 21 . 8 1 1 A 3 3 MET CA C -2 55.444 53.455 1.989 1
1 22 . 8 1 1 A 3 3 MET CB C -2 34.277 36.212 -1.935 1
1 25 . 8 1 1 A 3 3 MET N N -2 125.628 114.846 10.782 1
1 43 . 8 1 1 A 6 6 PRO HA H 250 4.591 4.826 -0.235 1
1 50 . 8 1 1 A 6 6 PRO C C 250 175.444 175.461 -0.017 1
1 51 . 8 1 1 A 6 6 PRO CA C 250 61.829 62.689 -0.860 1
1 52 . 8 1 1 A 6 6 PRO CB C 250 32.464 33.073 -0.609 1
1 55 . 8 1 1 A 7 7 ARG H H 251 7.588 9.013 -1.425 1
1 56 . 8 1 1 A 7 7 ARG HA H 251 4.078 4.616 -0.538 1
1 64 . 8 1 1 A 7 7 ARG C C 251 175.065 175.164 -0.099 1
1 65 . 8 1 1 A 7 7 ARG CA C 251 54.552 55.172 -0.620 1
1 66 . 8 1 1 A 7 7 ARG CB C 251 33.587 33.679 -0.092 1
1 69 . 8 1 1 A 7 7 ARG N N 251 124.900 121.602 3.298 1
1 71 . 8 1 1 A 8 8 PHE H H 252 8.893 8.481 0.412 1
1 72 . 8 1 1 A 8 8 PHE HA H 252 4.708 4.698 0.010 1
1 80 . 8 1 1 A 8 8 PHE CA C 252 59.744 59.848 -0.104 1
1 81 . 8 1 1 A 8 8 PHE CB C 252 39.263 39.493 -0.230 1
1 85 . 8 1 1 A 8 8 PHE N N 252 128.828 123.956 4.872 1
1 86 . 8 1 1 A 9 9 ILE H H 253 8.223 9.224 -1.001 1
1 87 . 8 1 1 A 9 9 ILE HA H 253 4.090 4.452 -0.362 1
1 97 . 8 1 1 A 9 9 ILE C C 253 175.698 175.952 -0.254 1
1 98 . 8 1 1 A 9 9 ILE CA C 253 61.230 62.277 -1.047 1
1 99 . 8 1 1 A 9 9 ILE CB C 253 39.165 39.858 -0.693 1
1 103 . 8 1 1 A 9 9 ILE N N 253 128.239 124.020 4.219 1
1 104 . 8 1 1 A 10 10 GLN H H 254 7.437 7.331 0.106 1
1 105 . 8 1 1 A 10 10 GLN HA H 254 4.450 4.763 -0.313 1
1 112 . 8 1 1 A 10 10 GLN C C 254 174.149 174.000 0.149 1
1 113 . 8 1 1 A 10 10 GLN CA C 254 56.197 55.559 0.638 1
1 114 . 8 1 1 A 10 10 GLN CB C 254 32.367 32.323 0.044 1
1 116 . 8 1 1 A 10 10 GLN N N 254 127.323 116.692 10.631 1
1 118 . 8 1 1 A 11 11 VAL H H 255 8.283 8.696 -0.413 1
1 119 . 8 1 1 A 11 11 VAL HA H 255 4.185 4.455 -0.270 1
1 127 . 8 1 1 A 11 11 VAL CA C 255 57.931 57.624 0.307 1
1 128 . 8 1 1 A 11 11 VAL CB C 255 33.230 33.871 -0.641 1
1 131 . 8 1 1 A 11 11 VAL N N 255 126.734 118.932 7.802 1
1 132 . 8 1 1 A 12 12 PRO HA H 256 4.538 4.395 0.143 1
1 139 . 8 1 1 A 12 12 PRO CA C 256 62.209 62.397 -0.188 1
1 140 . 8 1 1 A 12 12 PRO CB C 256 31.724 31.827 -0.103 1
1 143 . 8 1 1 A 13 13 GLU H H 257 7.870 8.354 -0.484 1
1 144 . 8 1 1 A 13 13 GLU HA H 257 4.257 4.335 -0.078 1
1 149 . 8 1 1 A 13 13 GLU CA C 257 54.764 55.670 -0.906 1
1 150 . 8 1 1 A 13 13 GLU CB C 257 31.690 30.149 1.541 1
1 152 . 8 1 1 A 13 13 GLU N N 257 124.369 118.975 5.394 1
1 153 . 8 1 1 A 14 14 ASN H H 258 8.133 8.607 -0.474 1
1 154 . 8 1 1 A 14 14 ASN HA H 258 4.639 4.755 -0.116 1
1 159 . 8 1 1 A 14 14 ASN CA C 258 54.285 53.490 0.795 1
1 160 . 8 1 1 A 14 14 ASN CB C 258 38.023 38.873 -0.850 1
1 161 . 8 1 1 A 14 14 ASN N N 258 123.151 117.869 5.282 1
1 163 . 8 1 1 A 15 15 MET H H 259 8.295 9.084 -0.789 1
1 164 . 8 1 1 A 15 15 MET HA H 259 4.695 5.325 -0.630 1
1 172 . 8 1 1 A 15 15 MET C C 259 174.675 174.347 0.328 1
1 173 . 8 1 1 A 15 15 MET CA C 259 55.153 53.897 1.256 1
1 174 . 8 1 1 A 15 15 MET CB C 259 38.064 37.364 0.700 1
1 177 . 8 1 1 A 15 15 MET N N 259 125.442 120.453 4.989 1
1 178 . 8 1 1 A 16 16 SER H H 260 8.332 8.743 -0.411 1
1 179 . 8 1 1 A 16 16 SER HA H 260 5.261 5.522 -0.261 1
1 182 . 8 1 1 A 16 16 SER C C 260 172.889 173.318 -0.429 1
1 183 . 8 1 1 A 16 16 SER CA C 260 56.748 56.996 -0.248 1
1 184 . 8 1 1 A 16 16 SER CB C 260 64.170 65.781 -1.611 1
1 185 . 8 1 1 A 16 16 SER N N 260 125.417 113.326 12.091 1
1 186 . 8 1 1 A 17 17 ILE H H 261 8.394 8.905 -0.511 1
1 187 . 8 1 1 A 17 17 ILE HA H 261 4.366 4.630 -0.264 1
1 197 . 8 1 1 A 17 17 ILE C C 261 173.465 174.916 -1.451 1
1 198 . 8 1 1 A 17 17 ILE CA C 261 57.461 60.003 -2.542 1
1 199 . 8 1 1 A 17 17 ILE CB C 261 41.882 41.692 0.190 1
1 203 . 8 1 1 A 17 17 ILE N N 261 131.680 125.400 6.280 1
1 204 . 8 1 1 A 18 18 ASP H H 262 8.043 8.770 -0.727 1
1 205 . 8 1 1 A 18 18 ASP HA H 262 4.498 4.484 0.014 1
1 208 . 8 1 1 A 18 18 ASP C C 262 174.970 175.952 -0.982 1
1 209 . 8 1 1 A 18 18 ASP CA C 262 54.962 54.753 0.209 1
1 210 . 8 1 1 A 18 18 ASP CB C 262 41.518 40.915 0.603 1
1 211 . 8 1 1 A 18 18 ASP N N 262 132.455 127.318 5.137 1
1 212 . 8 1 1 A 19 19 GLU H H 263 8.058 8.709 -0.651 1
1 213 . 8 1 1 A 19 19 GLU HA H 263 3.322 3.912 -0.590 1
1 218 . 8 1 1 A 19 19 GLU C C 263 176.656 177.284 -0.628 1
1 219 . 8 1 1 A 19 19 GLU CA C 263 58.351 58.267 0.084 1
1 220 . 8 1 1 A 19 19 GLU CB C 263 29.716 29.318 0.398 1
1 222 . 8 1 1 A 19 19 GLU N N 263 126.424 124.803 1.621 1
1 223 . 8 1 1 A 20 20 GLY H H 264 9.131 9.129 0.002 1
1 224 . 8 1 1 A 20 20 GLY HA2 H 264 3.366 3.990 -0.624 1
1 225 . 8 1 1 A 20 20 GLY HA3 H 264 4.196 3.992 0.204 1
1 226 . 8 1 1 A 20 20 GLY C C 264 174.582 174.721 -0.139 1
1 227 . 8 1 1 A 20 20 GLY CA C 264 44.837 45.062 -0.225 1
1 228 . 8 1 1 A 20 20 GLY N N 264 119.124 114.923 4.201 1
1 229 . 8 1 1 A 21 21 ARG H H 265 7.192 7.393 -0.201 1
1 230 . 8 1 1 A 21 21 ARG HA H 265 4.377 4.441 -0.064 1
1 238 . 8 1 1 A 21 21 ARG C C 265 174.091 175.763 -1.672 1
1 239 . 8 1 1 A 21 21 ARG CA C 265 55.263 55.886 -0.623 1
1 240 . 8 1 1 A 21 21 ARG CB C 265 31.467 31.717 -0.250 1
1 243 . 8 1 1 A 21 21 ARG N N 265 126.182 120.364 5.818 1
1 245 . 8 1 1 A 22 22 PHE H H 266 7.699 8.835 -1.136 1
1 246 . 8 1 1 A 22 22 PHE HA H 266 4.688 4.947 -0.259 1
1 254 . 8 1 1 A 22 22 PHE C C 266 175.911 174.744 1.167 1
1 255 . 8 1 1 A 22 22 PHE CA C 266 57.132 59.144 -2.012 1
1 256 . 8 1 1 A 22 22 PHE CB C 266 41.270 40.048 1.222 1
1 260 . 8 1 1 A 22 22 PHE N N 266 127.111 122.944 4.167 1
1 261 . 8 1 1 A 23 23 CYS H H 267 8.140 8.267 -0.127 1
1 262 . 8 1 1 A 23 23 CYS HA H 267 4.282 5.094 -0.812 1
1 265 . 8 1 1 A 23 23 CYS C C 267 170.233 172.521 -2.288 1
1 266 . 8 1 1 A 23 23 CYS CA C 267 57.626 56.335 1.291 1
1 267 . 8 1 1 A 23 23 CYS CB C 267 30.411 32.125 -1.714 1
1 268 . 8 1 1 A 23 23 CYS N N 267 130.194 124.240 5.954 1
1 269 . 8 1 1 A 24 24 ARG H H 268 8.160 8.970 -0.810 1
1 270 . 8 1 1 A 24 24 ARG HA H 268 5.167 5.253 -0.086 1
1 278 . 8 1 1 A 24 24 ARG CA C 268 53.910 54.025 -0.115 1
1 279 . 8 1 1 A 24 24 ARG CB C 268 35.114 34.677 0.437 1
1 283 . 8 1 1 A 25 25 MET H H 269 8.839 8.989 -0.150 1
1 284 . 8 1 1 A 25 25 MET HA H 269 4.518 5.230 -0.712 1
1 292 . 8 1 1 A 25 25 MET C C 269 174.090 174.266 -0.176 1
1 293 . 8 1 1 A 25 25 MET CA C 269 54.960 54.597 0.363 1
1 294 . 8 1 1 A 25 25 MET CB C 269 35.645 37.217 -1.572 1
1 297 . 8 1 1 A 25 25 MET N N 269 127.757 119.241 8.516 1
1 298 . 8 1 1 A 26 26 ASP H H 270 8.473 8.959 -0.486 1
1 299 . 8 1 1 A 26 26 ASP HA H 270 5.772 5.740 0.032 1
1 302 . 8 1 1 A 26 26 ASP CA C 270 53.157 53.063 0.094 1
1 303 . 8 1 1 A 26 26 ASP CB C 270 43.595 44.698 -1.103 1
1 304 . 8 1 1 A 26 26 ASP N N 270 129.880 122.548 7.332 1
1 305 . 8 1 1 A 27 27 PHE H H 271 9.180 9.588 -0.408 1
1 306 . 8 1 1 A 27 27 PHE HA H 271 5.014 5.005 0.009 1
1 314 . 8 1 1 A 27 27 PHE CA C 271 55.904 56.301 -0.397 1
1 317 . 8 1 1 A 27 27 PHE N N 271 123.116 121.711 1.405 1
1 318 . 8 1 1 A 28 28 LYS H H 272 9.221 8.507 0.714 1
1 327 . 8 1 1 A 28 28 LYS CA C 272 59.294 56.635 2.659 1
1 328 . 8 1 1 A 28 28 LYS CB C 272 38.090 32.651 5.439 1
1 332 . 8 1 1 A 28 28 LYS N N 272 131.321 125.777 5.544 1
1 333 . 8 1 1 A 29 29 VAL H H 273 8.304 8.936 -0.632 1
1 334 . 8 1 1 A 29 29 VAL HA H 273 4.331 4.822 -0.491 1
1 342 . 8 1 1 A 29 29 VAL C C 273 175.240 173.629 1.611 1
1 343 . 8 1 1 A 29 29 VAL CA C 273 61.020 60.282 0.738 1
1 344 . 8 1 1 A 29 29 VAL CB C 273 33.889 34.579 -0.690 1
1 347 . 8 1 1 A 30 30 SER H H 274 8.545 8.601 -0.056 1
1 348 . 8 1 1 A 30 30 SER HA H 274 4.647 4.574 0.073 1
1 351 . 8 1 1 A 30 30 SER C C 274 172.993 174.240 -1.247 1
1 352 . 8 1 1 A 30 30 SER CA C 274 56.505 58.269 -1.764 1
1 353 . 8 1 1 A 30 30 SER CB C 274 65.805 64.535 1.270 1
1 354 . 8 1 1 A 30 30 SER N N 274 129.796 125.507 4.289 1
1 355 . 8 1 1 A 31 31 GLY H H 275 7.712 8.583 -0.871 1
1 356 . 8 1 1 A 31 31 GLY HA2 H 275 3.220 4.160 -0.940 1
1 357 . 8 1 1 A 31 31 GLY HA3 H 275 3.649 4.170 -0.521 1
1 358 . 8 1 1 A 31 31 GLY C C 275 170.984 171.865 -0.881 1
1 359 . 8 1 1 A 31 31 GLY CA C 275 45.099 44.212 0.887 1
1 360 . 8 1 1 A 31 31 GLY N N 275 115.009 111.194 3.815 1
1 361 . 8 1 1 A 32 32 LEU H H 276 7.668 8.422 -0.754 1
1 362 . 8 1 1 A 32 32 LEU HA H 276 4.301 4.912 -0.611 1
1 372 . 8 1 1 A 32 32 LEU C C 276 173.812 174.650 -0.838 1
1 373 . 8 1 1 A 32 32 LEU CA C 276 52.370 51.741 0.629 1
1 374 . 8 1 1 A 32 32 LEU CB C 276 45.554 46.029 -0.475 1
1 378 . 8 1 1 A 32 32 LEU N N 276 129.727 120.996 8.731 1
1 379 . 8 1 1 A 33 33 PRO HA H 277 4.416 4.593 -0.177 1
1 386 . 8 1 1 A 33 33 PRO CA C 277 62.576 62.374 0.202 1
1 387 . 8 1 1 A 33 33 PRO CB C 277 35.012 32.615 2.397 1
1 390 . 8 1 1 A 34 34 ALA H H 278 8.598 8.354 0.244 1
1 391 . 8 1 1 A 34 34 ALA HA H 278 4.153 4.358 -0.205 1
1 395 . 8 1 1 A 34 34 ALA CA C 278 50.822 50.730 0.092 1
1 396 . 8 1 1 A 34 34 ALA CB C 278 17.462 18.880 -1.418 1
1 397 . 8 1 1 A 34 34 ALA N N 278 131.518 124.431 7.087 1
1 398 . 8 1 1 A 35 35 PRO HA H 279 4.206 4.527 -0.321 1
1 405 . 8 1 1 A 35 35 PRO C C 279 175.701 176.001 -0.300 1
1 406 . 8 1 1 A 35 35 PRO CA C 279 62.628 62.310 0.318 1
1 407 . 8 1 1 A 35 35 PRO CB C 279 33.069 32.080 0.989 1
1 410 . 8 1 1 A 36 36 ASP H H 280 8.621 8.616 0.005 1
1 411 . 8 1 1 A 36 36 ASP HA H 280 4.659 4.817 -0.158 1
1 414 . 8 1 1 A 36 36 ASP C C 280 176.057 174.971 1.086 1
1 415 . 8 1 1 A 36 36 ASP CA C 280 54.307 53.898 0.409 1
1 416 . 8 1 1 A 36 36 ASP CB C 280 42.741 41.216 1.525 1
1 417 . 8 1 1 A 36 36 ASP N N 280 127.555 121.926 5.629 1
1 418 . 8 1 1 A 37 37 VAL H H 281 8.635 9.004 -0.369 1
1 419 . 8 1 1 A 37 37 VAL HA H 281 4.938 4.924 0.014 1
1 427 . 8 1 1 A 37 37 VAL CA C 281 61.135 61.298 -0.163 1
1 428 . 8 1 1 A 37 37 VAL CB C 281 34.579 33.426 1.153 1
1 431 . 8 1 1 A 38 38 SER H H 282 8.591 8.902 -0.311 1
1 432 . 8 1 1 A 38 38 SER HA H 282 4.518 5.446 -0.928 1
1 435 . 8 1 1 A 38 38 SER CA C 282 57.540 56.775 0.765 1
1 436 . 8 1 1 A 38 38 SER CB C 282 66.530 66.284 0.246 1
1 437 . 8 1 1 A 38 38 SER N N 282 128.264 122.068 6.196 1
1 438 . 8 1 1 A 39 39 TRP H H 283 8.426 8.443 -0.017 1
1 439 . 8 1 1 A 39 39 TRP HA H 283 5.297 5.559 -0.262 1
1 448 . 8 1 1 A 39 39 TRP CA C 283 56.298 55.854 0.444 1
1 449 . 8 1 1 A 39 39 TRP CB C 283 33.153 33.405 -0.252 1
1 455 . 8 1 1 A 39 39 TRP N N 283 127.698 122.257 5.441 1
1 456 . 8 1 1 A 40 40 TYR H H 284 9.373 9.274 0.099 1
1 457 . 8 1 1 A 40 40 TYR HA H 284 4.903 5.374 -0.471 1
1 464 . 8 1 1 A 40 40 TYR C C 284 174.148 174.630 -0.482 1
1 465 . 8 1 1 A 40 40 TYR CA C 284 56.849 56.322 0.527 1
1 466 . 8 1 1 A 40 40 TYR CB C 284 42.754 43.281 -0.527 1
1 469 . 8 1 1 A 40 40 TYR N N 284 125.437 119.574 5.863 1
1 470 . 8 1 1 A 41 41 LEU H H 285 8.898 9.162 -0.264 1
1 471 . 8 1 1 A 41 41 LEU HA H 285 4.255 4.549 -0.294 1
1 481 . 8 1 1 A 41 41 LEU C C 285 176.606 175.464 1.142 1
1 482 . 8 1 1 A 41 41 LEU CA C 285 53.659 53.953 -0.294 1
1 483 . 8 1 1 A 41 41 LEU CB C 285 43.740 44.712 -0.972 1
1 487 . 8 1 1 A 41 41 LEU N N 285 129.512 122.581 6.931 1
1 488 . 8 1 1 A 42 42 ASN H H 286 9.454 9.469 -0.015 1
1 489 . 8 1 1 A 42 42 ASN HA H 286 4.221 4.415 -0.194 1
1 494 . 8 1 1 A 42 42 ASN C C 286 175.692 175.279 0.413 1
1 495 . 8 1 1 A 42 42 ASN CA C 286 54.239 54.394 -0.155 1
1 496 . 8 1 1 A 42 42 ASN CB C 286 37.331 36.954 0.377 1
1 497 . 8 1 1 A 42 42 ASN N N 286 134.097 126.385 7.712 1
1 499 . 8 1 1 A 43 43 GLY H H 287 8.709 8.333 0.376 1
1 500 . 8 1 1 A 43 43 GLY HA2 H 287 3.356 3.975 -0.619 1
1 501 . 8 1 1 A 43 43 GLY HA3 H 287 3.995 3.982 0.013 1
1 502 . 8 1 1 A 43 43 GLY C C 287 173.786 174.586 -0.800 1
1 503 . 8 1 1 A 43 43 GLY CA C 287 45.450 45.134 0.316 1
1 504 . 8 1 1 A 43 43 GLY N N 287 108.807 104.984 3.823 1
1 505 . 8 1 1 A 44 44 ARG H H 288 7.902 7.623 0.279 1
1 506 . 8 1 1 A 44 44 ARG HA H 288 4.697 4.634 0.063 1
1 514 . 8 1 1 A 44 44 ARG C C 288 175.799 176.444 -0.645 1
1 515 . 8 1 1 A 44 44 ARG CA C 288 54.658 55.006 -0.348 1
1 516 . 8 1 1 A 44 44 ARG CB C 288 32.436 31.563 0.873 1
1 519 . 8 1 1 A 44 44 ARG N N 288 127.837 120.300 7.537 1
1 521 . 8 1 1 A 45 45 THR H H 289 8.539 8.678 -0.139 1
1 522 . 8 1 1 A 45 45 THR HA H 289 3.763 4.284 -0.521 1
1 527 . 8 1 1 A 45 45 THR C C 289 174.692 174.402 0.290 1
1 528 . 8 1 1 A 45 45 THR CA C 289 63.977 61.785 2.192 1
1 529 . 8 1 1 A 45 45 THR CB C 289 69.706 69.803 -0.097 1
1 531 . 8 1 1 A 45 45 THR N N 289 126.100 113.717 12.383 1
1 532 . 8 1 1 A 46 46 VAL H H 290 8.033 8.386 -0.353 1
1 533 . 8 1 1 A 46 46 VAL HA H 290 3.647 4.504 -0.857 1
1 541 . 8 1 1 A 46 46 VAL C C 290 174.672 175.432 -0.760 1
1 542 . 8 1 1 A 46 46 VAL CA C 290 62.458 61.399 1.059 1
1 543 . 8 1 1 A 46 46 VAL CB C 290 32.500 34.073 -1.573 1
1 546 . 8 1 1 A 46 46 VAL N N 290 134.795 121.852 12.943 1
1 547 . 8 1 1 A 47 47 GLN H H 291 8.124 8.604 -0.480 1
1 548 . 8 1 1 A 47 47 GLN HA H 291 4.281 4.323 -0.042 1
1 555 . 8 1 1 A 47 47 GLN C C 291 175.398 175.562 -0.164 1
1 556 . 8 1 1 A 47 47 GLN CA C 291 54.235 55.951 -1.716 1
1 557 . 8 1 1 A 47 47 GLN CB C 291 30.283 29.598 0.685 1
1 559 . 8 1 1 A 47 47 GLN N N 291 132.792 126.993 5.799 1
1 561 . 8 1 1 A 48 48 SER H H 292 8.280 8.556 -0.276 1
1 562 . 8 1 1 A 48 48 SER HA H 292 4.308 4.454 -0.146 1
1 565 . 8 1 1 A 48 48 SER C C 292 174.304 173.532 0.772 1
1 566 . 8 1 1 A 48 48 SER CA C 292 58.222 58.210 0.012 1
1 567 . 8 1 1 A 48 48 SER CB C 292 63.719 64.340 -0.621 1
1 568 . 8 1 1 A 48 48 SER N N 292 123.481 116.287 7.194 1
1 569 . 8 1 1 A 49 49 ASP H H 293 9.050 8.681 0.369 1
1 570 . 8 1 1 A 49 49 ASP HA H 293 4.482 5.059 -0.577 1
1 573 . 8 1 1 A 49 49 ASP C C 293 176.099 175.628 0.471 1
1 574 . 8 1 1 A 49 49 ASP CA C 293 53.668 53.005 0.663 1
1 575 . 8 1 1 A 49 49 ASP CB C 293 40.100 44.296 -4.196 1
1 576 . 8 1 1 A 49 49 ASP N N 293 131.157 121.459 9.698 1
1 577 . 8 1 1 A 50 50 ASP H H 294 8.324 8.897 -0.573 1
1 578 . 8 1 1 A 50 50 ASP HA H 294 4.167 4.240 -0.073 1
1 581 . 8 1 1 A 50 50 ASP C C 294 176.520 177.579 -1.059 1
1 582 . 8 1 1 A 50 50 ASP CA C 294 57.367 57.576 -0.209 1
1 583 . 8 1 1 A 50 50 ASP CB C 294 40.226 40.488 -0.262 1
1 584 . 8 1 1 A 50 50 ASP N N 294 122.206 124.802 -2.596 1
1 585 . 8 1 1 A 51 51 LEU H H 295 7.749 7.751 -0.002 1
1 586 . 8 1 1 A 51 51 LEU HA H 295 4.281 4.163 0.118 1
1 596 . 8 1 1 A 51 51 LEU C C 295 175.716 176.521 -0.805 1
1 597 . 8 1 1 A 51 51 LEU CA C 295 54.407 55.266 -0.859 1
1 598 . 8 1 1 A 51 51 LEU CB C 295 43.849 42.130 1.719 1
1 602 . 8 1 1 A 51 51 LEU N N 295 121.836 117.906 3.930 1
1 603 . 8 1 1 A 52 52 HIS H H 296 7.548 7.504 0.044 1
1 604 . 8 1 1 A 52 52 HIS HA H 296 5.091 4.850 0.241 1
1 609 . 8 1 1 A 52 52 HIS C C 296 172.683 173.940 -1.257 1
1 610 . 8 1 1 A 52 52 HIS CA C 296 54.900 53.882 1.018 1
1 611 . 8 1 1 A 52 52 HIS CB C 296 28.894 29.256 -0.362 1
1 614 . 8 1 1 A 52 52 HIS N N 296 126.326 115.966 10.360 1
1 615 . 8 1 1 A 53 53 LYS H H 297 8.515 8.550 -0.035 1
1 616 . 8 1 1 A 53 53 LYS HA H 297 4.608 4.246 0.362 1
1 625 . 8 1 1 A 53 53 LYS C C 297 174.797 175.587 -0.790 1
1 626 . 8 1 1 A 53 53 LYS CA C 297 54.303 56.826 -2.523 1
1 627 . 8 1 1 A 53 53 LYS CB C 297 35.705 33.188 2.517 1
1 631 . 8 1 1 A 53 53 LYS N N 297 127.067 122.629 4.438 1
1 632 . 8 1 1 A 54 54 MET H H 298 8.379 8.877 -0.498 1
1 633 . 8 1 1 A 54 54 MET HA H 298 5.091 5.092 -0.001 1
1 641 . 8 1 1 A 54 54 MET CA C 298 55.427 54.791 0.636 1
1 642 . 8 1 1 A 54 54 MET CB C 298 34.100 35.538 -1.438 1
1 645 . 8 1 1 A 54 54 MET N N 298 128.992 120.796 8.196 1
1 646 . 8 1 1 A 55 55 ILE H H 299 8.279 8.480 -0.201 1
1 647 . 8 1 1 A 55 55 ILE HA H 299 4.602 5.213 -0.611 1
1 657 . 8 1 1 A 55 55 ILE CA C 299 59.130 58.907 0.223 1
1 658 . 8 1 1 A 55 55 ILE CB C 299 42.747 42.300 0.447 1
1 662 . 8 1 1 A 56 56 VAL H H 300 9.227 8.683 0.544 1
1 663 . 8 1 1 A 56 56 VAL HA H 300 4.912 4.795 0.117 1
1 671 . 8 1 1 A 56 56 VAL CA C 300 59.226 61.103 -1.877 1
1 672 . 8 1 1 A 56 56 VAL CB C 300 36.406 34.905 1.501 1
1 675 . 8 1 1 A 57 57 SER H H 301 8.794 8.979 -0.185 1
1 676 . 8 1 1 A 57 57 SER HA H 301 4.575 4.519 0.056 1
1 679 . 8 1 1 A 57 57 SER CA C 301 56.558 58.870 -2.312 1
1 680 . 8 1 1 A 57 57 SER CB C 301 65.617 63.591 2.026 1
1 681 . 8 1 1 A 57 57 SER N N 301 128.893 123.812 5.081 1
1 682 . 8 1 1 A 58 58 GLU HA H 302 4.013 4.094 -0.081 1
1 687 . 8 1 1 A 58 58 GLU CA C 302 58.165 58.951 -0.786 1
1 688 . 8 1 1 A 58 58 GLU CB C 302 29.508 29.136 0.372 1
1 690 . 8 1 1 A 59 59 LYS HA H 303 4.114 4.313 -0.199 1
1 699 . 8 1 1 A 59 59 LYS C C 303 176.755 176.785 -0.030 1
1 700 . 8 1 1 A 59 59 LYS CA C 303 55.913 55.758 0.155 1
1 701 . 8 1 1 A 59 59 LYS CB C 303 31.679 32.694 -1.015 1
1 705 . 8 1 1 A 60 60 GLY H H 304 7.813 8.521 -0.708 1
1 706 . 8 1 1 A 60 60 GLY HA2 H 304 4.037 3.995 0.042 1
1 707 . 8 1 1 A 60 60 GLY HA3 H 304 3.411 3.999 -0.588 1
1 708 . 8 1 1 A 60 60 GLY C C 304 173.480 173.987 -0.507 1
1 709 . 8 1 1 A 60 60 GLY CA C 304 45.955 46.539 -0.584 1
1 710 . 8 1 1 A 60 60 GLY N N 304 113.597 107.915 5.682 1
1 711 . 8 1 1 A 61 61 LEU H H 305 7.253 7.296 -0.043 1
1 712 . 8 1 1 A 61 61 LEU HA H 305 4.396 5.116 -0.720 1
1 722 . 8 1 1 A 61 61 LEU CA C 305 54.825 54.075 0.750 1
1 723 . 8 1 1 A 61 61 LEU CB C 305 43.099 44.982 -1.883 1
1 727 . 8 1 1 A 61 61 LEU N N 305 128.081 120.535 7.546 1
1 728 . 8 1 1 A 62 62 HIS H H 306 8.294 9.026 -0.732 1
1 733 . 8 1 1 A 62 62 HIS N N 306 130.344 127.492 2.852 1
1 734 . 8 1 1 A 63 63 SER HA H 307 5.980 5.087 0.893 1
1 737 . 8 1 1 A 63 63 SER CA C 307 57.517 57.630 -0.113 1
1 738 . 8 1 1 A 63 63 SER CB C 307 66.760 65.200 1.560 1
1 739 . 8 1 1 A 64 64 LEU H H 308 8.827 9.262 -0.435 1
1 740 . 8 1 1 A 64 64 LEU HA H 308 4.657 4.881 -0.224 1
1 750 . 8 1 1 A 64 64 LEU C C 308 174.337 174.635 -0.298 1
1 751 . 8 1 1 A 64 64 LEU CA C 308 54.386 53.309 1.077 1
1 752 . 8 1 1 A 64 64 LEU CB C 308 42.678 44.123 -1.445 1
1 756 . 8 1 1 A 65 65 ILE H H 309 9.009 8.588 0.421 1
1 757 . 8 1 1 A 65 65 ILE HA H 309 3.880 4.744 -0.864 1
1 767 . 8 1 1 A 65 65 ILE C C 309 173.963 174.418 -0.455 1
1 768 . 8 1 1 A 65 65 ILE CA C 309 60.296 59.389 0.907 1
1 769 . 8 1 1 A 65 65 ILE CB C 309 40.727 41.178 -0.451 1
1 773 . 8 1 1 A 65 65 ILE N N 309 133.046 127.872 5.174 1
1 774 . 8 1 1 A 66 66 PHE H H 310 8.508 8.759 -0.251 1
1 775 . 8 1 1 A 66 66 PHE HA H 310 4.367 4.946 -0.579 1
1 783 . 8 1 1 A 66 66 PHE C C 310 174.555 175.662 -1.107 1
1 784 . 8 1 1 A 66 66 PHE CA C 310 54.878 56.018 -1.140 1
1 785 . 8 1 1 A 66 66 PHE CB C 310 38.819 40.444 -1.625 1
1 789 . 8 1 1 A 66 66 PHE N N 310 132.294 124.281 8.013 1
1 790 . 8 1 1 A 67 67 GLU H H 311 7.879 8.796 -0.917 1
1 791 . 8 1 1 A 67 67 GLU HA H 311 4.025 4.443 -0.418 1
1 796 . 8 1 1 A 67 67 GLU C C 311 177.819 177.203 0.616 1
1 797 . 8 1 1 A 67 67 GLU CA C 311 59.266 59.197 0.069 1
1 798 . 8 1 1 A 67 67 GLU CB C 311 30.421 30.703 -0.282 1
1 800 . 8 1 1 A 67 67 GLU N N 311 127.092 124.029 3.063 1
1 801 . 8 1 1 A 68 68 VAL H H 312 7.428 7.602 -0.174 1
1 802 . 8 1 1 A 68 68 VAL HA H 312 3.402 4.499 -1.097 1
1 810 . 8 1 1 A 68 68 VAL C C 312 173.921 174.137 -0.216 1
1 811 . 8 1 1 A 68 68 VAL CA C 312 61.444 61.115 0.329 1
1 812 . 8 1 1 A 68 68 VAL CB C 312 34.790 33.013 1.777 1
1 815 . 8 1 1 A 68 68 VAL N N 312 120.315 116.809 3.506 1
1 816 . 8 1 1 A 69 69 VAL H H 313 8.233 8.736 -0.503 1
1 817 . 8 1 1 A 69 69 VAL HA H 313 3.829 4.237 -0.408 1
1 825 . 8 1 1 A 69 69 VAL C C 313 175.123 175.015 0.108 1
1 826 . 8 1 1 A 69 69 VAL CA C 313 63.200 62.551 0.649 1
1 827 . 8 1 1 A 69 69 VAL CB C 313 32.836 32.567 0.269 1
1 830 . 8 1 1 A 69 69 VAL N N 313 132.928 129.011 3.917 1
1 831 . 8 1 1 A 70 70 ARG H H 314 9.259 8.975 0.284 1
1 832 . 8 1 1 A 70 70 ARG HA H 314 4.776 4.716 0.060 1
1 839 . 8 1 1 A 70 70 ARG C C 314 177.491 176.716 0.775 1
1 840 . 8 1 1 A 70 70 ARG CA C 314 53.728 54.047 -0.319 1
1 841 . 8 1 1 A 70 70 ARG CB C 314 34.282 32.996 1.286 1
1 844 . 8 1 1 A 70 70 ARG N N 314 133.209 127.526 5.683 1
1 845 . 8 1 1 A 71 71 ALA H H 315 9.059 8.895 0.164 1
1 846 . 8 1 1 A 71 71 ALA HA H 315 3.676 4.012 -0.336 1
1 850 . 8 1 1 A 71 71 ALA C C 315 180.122 179.728 0.394 1
1 851 . 8 1 1 A 71 71 ALA CA C 315 56.356 55.162 1.194 1
1 852 . 8 1 1 A 71 71 ALA CB C 315 17.923 18.415 -0.492 1
1 853 . 8 1 1 A 71 71 ALA N N 315 131.839 124.473 7.366 1
1 854 . 8 1 1 A 72 72 SER H H 316 7.735 7.984 -0.249 1
1 855 . 8 1 1 A 72 72 SER HA H 316 4.046 4.236 -0.190 1
1 858 . 8 1 1 A 72 72 SER C C 316 175.495 174.638 0.857 1
1 859 . 8 1 1 A 72 72 SER CA C 316 60.037 61.290 -1.253 1
1 860 . 8 1 1 A 72 72 SER CB C 316 62.381 63.120 -0.739 1
1 861 . 8 1 1 A 72 72 SER N N 316 115.841 113.522 2.319 1
1 862 . 8 1 1 A 73 73 ASP H H 317 8.175 7.920 0.255 1
1 863 . 8 1 1 A 73 73 ASP HA H 317 4.644 4.742 -0.098 1
1 866 . 8 1 1 A 73 73 ASP C C 317 176.176 176.147 0.029 1
1 867 . 8 1 1 A 73 73 ASP CA C 317 55.305 54.817 0.488 1
1 868 . 8 1 1 A 73 73 ASP CB C 317 42.572 41.327 1.245 1
1 869 . 8 1 1 A 73 73 ASP N N 317 126.327 119.125 7.202 1
1 870 . 8 1 1 A 74 74 ALA H H 318 7.339 7.001 0.338 1
1 871 . 8 1 1 A 74 74 ALA HA H 318 4.013 4.282 -0.269 1
1 875 . 8 1 1 A 74 74 ALA C C 318 176.813 177.223 -0.410 1
1 876 . 8 1 1 A 74 74 ALA CA C 318 53.570 53.044 0.526 1
1 877 . 8 1 1 A 74 74 ALA CB C 318 20.548 20.453 0.095 1
1 878 . 8 1 1 A 74 74 ALA N N 318 127.859 121.995 5.864 1
1 879 . 8 1 1 A 75 75 GLY H H 319 8.797 8.765 0.032 1
1 880 . 8 1 1 A 75 75 GLY HA2 H 319 3.599 4.087 -0.488 1
1 881 . 8 1 1 A 75 75 GLY HA3 H 319 4.239 4.145 0.094 1
1 882 . 8 1 1 A 75 75 GLY C C 319 170.102 172.258 -2.156 1
1 883 . 8 1 1 A 75 75 GLY CA C 319 45.105 44.175 0.930 1
1 884 . 8 1 1 A 75 75 GLY N N 319 114.261 107.159 7.102 1
1 885 . 8 1 1 A 76 76 ALA H H 320 7.621 8.057 -0.436 1
1 886 . 8 1 1 A 76 76 ALA HA H 320 4.521 4.754 -0.233 1
1 890 . 8 1 1 A 76 76 ALA C C 320 176.291 176.538 -0.247 1
1 891 . 8 1 1 A 76 76 ALA CA C 320 51.158 51.567 -0.409 1
1 892 . 8 1 1 A 76 76 ALA CB C 320 19.242 19.374 -0.132 1
1 893 . 8 1 1 A 76 76 ALA N N 320 129.042 122.907 6.135 1
1 894 . 8 1 1 A 77 77 TYR H H 321 9.406 8.921 0.485 1
1 895 . 8 1 1 A 77 77 TYR HA H 321 5.237 5.221 0.016 1
1 903 . 8 1 1 A 77 77 TYR C C 321 175.676 176.070 -0.394 1
1 904 . 8 1 1 A 77 77 TYR CA C 321 57.779 58.198 -0.419 1
1 905 . 8 1 1 A 77 77 TYR CB C 321 40.623 40.077 0.546 1
1 908 . 8 1 1 A 77 77 TYR N N 321 132.635 124.119 8.516 1
1 909 . 8 1 1 A 78 78 ALA H H 322 9.084 8.939 0.145 1
1 910 . 8 1 1 A 78 78 ALA HA H 322 5.031 5.313 -0.282 1
1 914 . 8 1 1 A 78 78 ALA CA C 322 50.120 51.053 -0.933 1
1 915 . 8 1 1 A 78 78 ALA CB C 322 21.653 23.907 -2.254 1
1 916 . 8 1 1 A 78 78 ALA N N 322 130.291 122.797 7.494 1
1 917 . 8 1 1 A 79 79 CYS H H 323 7.932 8.941 -1.009 1
1 918 . 8 1 1 A 79 79 CYS HA H 323 4.037 4.650 -0.613 1
1 919 . 8 1 1 A 79 79 CYS C C 323 173.727 172.912 0.815 1
1 920 . 8 1 1 A 79 79 CYS CA C 323 56.345 56.896 -0.551 1
1 921 . 8 1 1 A 80 80 VAL H H 324 8.671 8.773 -0.102 1
1 922 . 8 1 1 A 80 80 VAL HA H 324 4.596 4.771 -0.175 1
1 930 . 8 1 1 A 80 80 VAL C C 324 174.904 174.377 0.527 1
1 931 . 8 1 1 A 80 80 VAL CA C 324 60.907 60.557 0.350 1
1 932 . 8 1 1 A 80 80 VAL CB C 324 34.334 34.627 -0.293 1
1 934 . 8 1 1 A 80 80 VAL N N 324 135.079 125.925 9.154 1
1 935 . 8 1 1 A 81 81 ALA H H 325 9.107 9.057 0.050 1
1 936 . 8 1 1 A 81 81 ALA HA H 325 5.220 5.345 -0.125 1
1 940 . 8 1 1 A 81 81 ALA C C 325 175.446 176.085 -0.639 1
1 941 . 8 1 1 A 81 81 ALA CA C 325 49.197 50.392 -1.195 1
1 942 . 8 1 1 A 81 81 ALA CB C 325 22.479 21.503 0.976 1
1 943 . 8 1 1 A 81 81 ALA N N 325 136.369 128.861 7.508 1
1 944 . 8 1 1 A 82 82 LYS H H 326 8.734 8.821 -0.087 1
1 945 . 8 1 1 A 82 82 LYS HA H 326 5.021 5.153 -0.132 1
1 954 . 8 1 1 A 82 82 LYS C C 326 175.054 175.419 -0.365 1
1 955 . 8 1 1 A 82 82 LYS CA C 326 55.451 54.543 0.908 1
1 956 . 8 1 1 A 82 82 LYS CB C 326 37.852 35.372 2.480 1
1 960 . 8 1 1 A 82 82 LYS N N 326 128.038 123.011 5.027 1
1 961 . 8 1 1 A 83 83 ASN H H 327 8.949 8.835 0.114 1
1 962 . 8 1 1 A 83 83 ASN HA H 327 4.624 5.113 -0.489 1
1 967 . 8 1 1 A 83 83 ASN C C 327 176.409 175.318 1.091 1
1 968 . 8 1 1 A 83 83 ASN CA C 327 51.838 51.314 0.524 1
1 969 . 8 1 1 A 83 83 ASN CB C 327 40.927 40.114 0.813 1
1 970 . 8 1 1 A 83 83 ASN N N 327 128.769 121.575 7.194 1
1 972 . 8 1 1 A 84 84 ARG H H 328 8.203 9.116 -0.913 1
1 973 . 8 1 1 A 84 84 ARG HA H 328 3.917 4.080 -0.163 1
1 981 . 8 1 1 A 84 84 ARG C C 328 175.820 176.109 -0.289 1
1 982 . 8 1 1 A 84 84 ARG CA C 328 58.250 58.047 0.203 1
1 983 . 8 1 1 A 84 84 ARG CB C 328 29.985 29.631 0.354 1
1 986 . 8 1 1 A 84 84 ARG N N 328 121.021 117.716 3.305 1
1 988 . 8 1 1 A 85 85 ALA H H 329 7.599 8.031 -0.432 1
1 989 . 8 1 1 A 85 85 ALA HA H 329 4.279 4.485 -0.206 1
1 993 . 8 1 1 A 85 85 ALA C C 329 177.261 176.927 0.334 1
1 994 . 8 1 1 A 85 85 ALA CA C 329 51.905 52.047 -0.142 1
1 995 . 8 1 1 A 85 85 ALA CB C 329 19.637 20.645 -1.008 1
1 996 . 8 1 1 A 85 85 ALA N N 329 125.074 121.685 3.389 1
1 997 . 8 1 1 A 86 86 GLY H H 330 7.624 7.268 0.356 1
1 998 . 8 1 1 A 86 86 GLY HA2 H 330 3.806 4.026 -0.220 1
1 999 . 8 1 1 A 86 86 GLY HA3 H 330 4.164 4.032 0.132 1
1 1000 . 8 1 1 A 86 86 GLY C C 330 169.646 170.913 -1.267 1
1 1001 . 8 1 1 A 86 86 GLY CA C 330 46.012 46.024 -0.012 1
1 1002 . 8 1 1 A 86 86 GLY N N 330 112.891 103.144 9.747 1
1 1003 . 8 1 1 A 87 87 GLU H H 331 8.213 8.458 -0.245 1
1 1004 . 8 1 1 A 87 87 GLU HA H 331 5.274 5.282 -0.008 1
1 1009 . 8 1 1 A 87 87 GLU C C 331 174.418 174.683 -0.265 1
1 1010 . 8 1 1 A 87 87 GLU CA C 331 54.349 55.002 -0.653 1
1 1011 . 8 1 1 A 87 87 GLU CB C 331 34.615 33.454 1.161 1
1 1013 . 8 1 1 A 87 87 GLU N N 331 123.208 120.132 3.076 1
1 1014 . 8 1 1 A 88 88 ALA H H 332 8.897 8.938 -0.041 1
1 1015 . 8 1 1 A 88 88 ALA HA H 332 4.569 5.066 -0.497 1
1 1019 . 8 1 1 A 88 88 ALA C C 332 175.121 175.127 -0.006 1
1 1020 . 8 1 1 A 88 88 ALA CA C 332 51.592 50.475 1.117 1
1 1021 . 8 1 1 A 88 88 ALA CB C 332 23.324 23.559 -0.235 1
1 1022 . 8 1 1 A 88 88 ALA N N 332 131.757 125.701 6.056 1
1 1023 . 8 1 1 A 89 89 THR H H 333 8.521 8.374 0.147 1
1 1024 . 8 1 1 A 89 89 THR HA H 333 5.661 5.233 0.428 1
1 1029 . 8 1 1 A 89 89 THR C C 333 173.827 173.047 0.780 1
1 1030 . 8 1 1 A 89 89 THR CA C 333 60.601 60.878 -0.277 1
1 1031 . 8 1 1 A 89 89 THR CB C 333 72.140 72.037 0.103 1
1 1033 . 8 1 1 A 89 89 THR N N 333 121.100 115.134 5.966 1
1 1034 . 8 1 1 A 90 90 PHE H H 334 8.603 9.045 -0.442 1
1 1035 . 8 1 1 A 90 90 PHE HA H 334 4.624 5.194 -0.570 1
1 1043 . 8 1 1 A 90 90 PHE CA C 334 56.618 55.856 0.762 1
1 1044 . 8 1 1 A 90 90 PHE CB C 334 42.489 43.741 -1.252 1
1 1048 . 8 1 1 A 91 91 THR H H 335 8.174 8.861 -0.687 1
1 1049 . 8 1 1 A 91 91 THR HA H 335 5.445 5.264 0.181 1
1 1054 . 8 1 1 A 91 91 THR CA C 335 60.110 61.408 -1.298 1
1 1055 . 8 1 1 A 91 91 THR CB C 335 71.671 72.273 -0.602 1
1 1057 . 8 1 1 A 92 92 VAL H H 336 9.158 8.830 0.328 1
1 1058 . 8 1 1 A 92 92 VAL HA H 336 4.432 4.972 -0.540 1
1 1066 . 8 1 1 A 92 92 VAL C C 336 171.594 173.246 -1.652 1
1 1067 . 8 1 1 A 92 92 VAL CA C 336 60.914 60.052 0.862 1
1 1068 . 8 1 1 A 92 92 VAL CB C 336 35.760 35.919 -0.159 1
1 1071 . 8 1 1 A 92 92 VAL N N 336 130.220 122.661 7.559 1
1 1072 . 8 1 1 A 93 93 GLN H H 337 8.302 8.843 -0.541 1
1 1073 . 8 1 1 A 93 93 GLN HA H 337 4.756 5.336 -0.580 1
1 1080 . 8 1 1 A 93 93 GLN C C 337 174.009 173.434 0.575 1
1 1081 . 8 1 1 A 93 93 GLN CA C 337 54.672 54.328 0.344 1
1 1082 . 8 1 1 A 93 93 GLN CB C 337 30.071 32.450 -2.379 1
1 1084 . 8 1 1 A 93 93 GLN N N 337 133.412 126.704 6.708 1
1 1086 . 8 1 1 A 94 94 LEU H H 338 8.812 9.254 -0.442 1
1 1087 . 8 1 1 A 94 94 LEU HA H 338 4.836 5.033 -0.197 1
1 1097 . 8 1 1 A 94 94 LEU C C 338 175.099 174.501 0.598 1
1 1098 . 8 1 1 A 94 94 LEU CA C 338 53.725 53.787 -0.062 1
1 1099 . 8 1 1 A 94 94 LEU CB C 338 44.955 45.219 -0.264 1
1 1103 . 8 1 1 A 94 94 LEU N N 338 133.816 127.729 6.087 1
1 1104 . 8 1 1 A 95 95 ASP H H 339 8.747 9.229 -0.482 1
1 1105 . 8 1 1 A 95 95 ASP HA H 339 4.871 4.818 0.053 1
1 1108 . 8 1 1 A 95 95 ASP C C 339 174.295 174.725 -0.430 1
1 1109 . 8 1 1 A 95 95 ASP CA C 339 53.311 52.983 0.328 1
1 1110 . 8 1 1 A 95 95 ASP CB C 339 42.895 40.365 2.530 1
1 1111 . 8 1 1 A 95 95 ASP N N 339 134.770 128.527 6.243 1
1 1112 . 8 1 1 A 96 96 VAL H H 340 7.745 7.969 -0.224 1
1 1113 . 8 1 1 A 96 96 VAL HA H 340 4.653 4.031 0.622 1
1 1121 . 8 1 1 A 96 96 VAL C C 340 175.494 175.500 -0.006 1
1 1122 . 8 1 1 A 96 96 VAL CA C 340 60.722 63.001 -2.279 1
1 1123 . 8 1 1 A 96 96 VAL CB C 340 33.852 31.646 2.206 1
1 1126 . 8 1 1 A 96 96 VAL N N 340 128.328 125.236 3.092 1
1 1127 . 8 1 1 A 97 97 LEU H H 341 8.524 8.840 -0.316 1
1 1128 . 8 1 1 A 97 97 LEU HA H 341 4.243 4.547 -0.304 1
1 1138 . 8 1 1 A 97 97 LEU C C 341 176.052 176.429 -0.377 1
1 1139 . 8 1 1 A 97 97 LEU CA C 341 54.086 54.411 -0.325 1
1 1140 . 8 1 1 A 97 97 LEU CB C 341 41.446 40.988 0.458 1
1 1144 . 8 1 1 A 97 97 LEU N N 341 136.554 129.570 6.984 1
1 1145 . 8 1 1 A 98 98 ALA H H 342 8.344 8.618 -0.274 1
1 1146 . 8 1 1 A 98 98 ALA HA H 342 4.227 4.286 -0.059 1
1 1150 . 8 1 1 A 98 98 ALA C C 342 177.569 178.253 -0.684 1
1 1151 . 8 1 1 A 98 98 ALA CA C 342 51.964 52.249 -0.285 1
1 1152 . 8 1 1 A 98 98 ALA CB C 342 19.976 19.243 0.733 1
1 1153 . 8 1 1 A 98 98 ALA N N 342 134.558 128.116 6.442 1
1 1154 . 8 1 1 A 99 99 LYS H H 343 8.552 8.936 -0.384 1
1 1155 . 8 1 1 A 99 99 LYS HA H 343 4.119 4.023 0.096 1
1 1164 . 8 1 1 A 99 99 LYS C C 343 175.859 178.134 -2.275 1
1 1165 . 8 1 1 A 99 99 LYS CA C 343 56.453 60.017 -3.564 1
1 1166 . 8 1 1 A 99 99 LYS CB C 343 33.257 32.404 0.853 1
1 1170 . 8 1 1 A 99 99 LYS N N 343 128.906 121.859 7.047 1
1 4 . 9 1 1 A 2 2 ALA HA H -3 4.167 4.222 -0.055 1
1 8 . 9 1 1 A 2 2 ALA C C -3 177.254 177.195 0.059 1
1 9 . 9 1 1 A 2 2 ALA CA C -3 52.427 52.348 0.079 1
1 10 . 9 1 1 A 2 2 ALA CB C -3 19.740 19.005 0.735 1
1 11 . 9 1 1 A 3 3 MET H H -2 8.135 8.434 -0.299 1
1 12 . 9 1 1 A 3 3 MET HA H -2 4.351 4.500 -0.149 1
1 20 . 9 1 1 A 3 3 MET C C -2 176.007 175.785 0.222 1
1 21 . 9 1 1 A 3 3 MET CA C -2 55.444 55.456 -0.012 1
1 22 . 9 1 1 A 3 3 MET CB C -2 34.277 33.718 0.559 1
1 25 . 9 1 1 A 3 3 MET N N -2 125.628 124.399 1.229 1
1 43 . 9 1 1 A 6 6 PRO HA H 250 4.591 4.570 0.021 1
1 50 . 9 1 1 A 6 6 PRO C C 250 175.444 175.424 0.020 1
1 51 . 9 1 1 A 6 6 PRO CA C 250 61.829 62.858 -1.029 1
1 52 . 9 1 1 A 6 6 PRO CB C 250 32.464 32.188 0.276 1
1 55 . 9 1 1 A 7 7 ARG H H 251 7.588 8.762 -1.174 1
1 56 . 9 1 1 A 7 7 ARG HA H 251 4.078 4.906 -0.828 1
1 64 . 9 1 1 A 7 7 ARG C C 251 175.065 174.877 0.188 1
1 65 . 9 1 1 A 7 7 ARG CA C 251 54.552 54.910 -0.358 1
1 66 . 9 1 1 A 7 7 ARG CB C 251 33.587 34.091 -0.504 1
1 69 . 9 1 1 A 7 7 ARG N N 251 124.900 122.402 2.498 1
1 71 . 9 1 1 A 8 8 PHE H H 252 8.893 8.998 -0.105 1
1 72 . 9 1 1 A 8 8 PHE HA H 252 4.708 4.809 -0.101 1
1 80 . 9 1 1 A 8 8 PHE CA C 252 59.744 57.663 2.081 1
1 81 . 9 1 1 A 8 8 PHE CB C 252 39.263 38.029 1.234 1
1 85 . 9 1 1 A 8 8 PHE N N 252 128.828 124.788 4.040 1
1 86 . 9 1 1 A 9 9 ILE H H 253 8.223 8.320 -0.097 1
1 87 . 9 1 1 A 9 9 ILE HA H 253 4.090 4.152 -0.062 1
1 97 . 9 1 1 A 9 9 ILE C C 253 175.698 176.139 -0.441 1
1 98 . 9 1 1 A 9 9 ILE CA C 253 61.230 63.202 -1.972 1
1 99 . 9 1 1 A 9 9 ILE CB C 253 39.165 38.602 0.563 1
1 103 . 9 1 1 A 9 9 ILE N N 253 128.239 126.600 1.639 1
1 104 . 9 1 1 A 10 10 GLN H H 254 7.437 7.125 0.312 1
1 105 . 9 1 1 A 10 10 GLN HA H 254 4.450 4.767 -0.317 1
1 112 . 9 1 1 A 10 10 GLN C C 254 174.149 173.997 0.152 1
1 113 . 9 1 1 A 10 10 GLN CA C 254 56.197 55.534 0.663 1
1 114 . 9 1 1 A 10 10 GLN CB C 254 32.367 32.416 -0.049 1
1 116 . 9 1 1 A 10 10 GLN N N 254 127.323 116.346 10.977 1
1 118 . 9 1 1 A 11 11 VAL H H 255 8.283 8.766 -0.483 1
1 119 . 9 1 1 A 11 11 VAL HA H 255 4.185 4.611 -0.426 1
1 127 . 9 1 1 A 11 11 VAL CA C 255 57.931 57.731 0.200 1
1 128 . 9 1 1 A 11 11 VAL CB C 255 33.230 34.120 -0.890 1
1 131 . 9 1 1 A 11 11 VAL N N 255 126.734 118.774 7.960 1
1 132 . 9 1 1 A 12 12 PRO HA H 256 4.538 4.434 0.104 1
1 139 . 9 1 1 A 12 12 PRO CA C 256 62.209 62.207 0.002 1
1 140 . 9 1 1 A 12 12 PRO CB C 256 31.724 31.977 -0.253 1
1 143 . 9 1 1 A 13 13 GLU H H 257 7.870 8.513 -0.643 1
1 144 . 9 1 1 A 13 13 GLU HA H 257 4.257 4.492 -0.235 1
1 149 . 9 1 1 A 13 13 GLU CA C 257 54.764 56.125 -1.361 1
1 150 . 9 1 1 A 13 13 GLU CB C 257 31.690 30.621 1.069 1
1 152 . 9 1 1 A 13 13 GLU N N 257 124.369 120.644 3.725 1
1 153 . 9 1 1 A 14 14 ASN H H 258 8.133 8.594 -0.461 1
1 154 . 9 1 1 A 14 14 ASN HA H 258 4.639 4.728 -0.089 1
1 159 . 9 1 1 A 14 14 ASN CA C 258 54.285 53.312 0.973 1
1 160 . 9 1 1 A 14 14 ASN CB C 258 38.023 38.689 -0.666 1
1 161 . 9 1 1 A 14 14 ASN N N 258 123.151 120.413 2.738 1
1 163 . 9 1 1 A 15 15 MET H H 259 8.295 9.050 -0.755 1
1 164 . 9 1 1 A 15 15 MET HA H 259 4.695 5.249 -0.554 1
1 172 . 9 1 1 A 15 15 MET C C 259 174.675 174.443 0.232 1
1 173 . 9 1 1 A 15 15 MET CA C 259 55.153 54.077 1.076 1
1 174 . 9 1 1 A 15 15 MET CB C 259 38.064 37.190 0.874 1
1 177 . 9 1 1 A 15 15 MET N N 259 125.442 120.318 5.124 1
1 178 . 9 1 1 A 16 16 SER H H 260 8.332 8.850 -0.518 1
1 179 . 9 1 1 A 16 16 SER HA H 260 5.261 5.529 -0.268 1
1 182 . 9 1 1 A 16 16 SER C C 260 172.889 173.272 -0.383 1
1 183 . 9 1 1 A 16 16 SER CA C 260 56.748 56.953 -0.205 1
1 184 . 9 1 1 A 16 16 SER CB C 260 64.170 65.393 -1.223 1
1 185 . 9 1 1 A 16 16 SER N N 260 125.417 113.868 11.549 1
1 186 . 9 1 1 A 17 17 ILE H H 261 8.394 8.630 -0.236 1
1 187 . 9 1 1 A 17 17 ILE HA H 261 4.366 4.673 -0.307 1
1 197 . 9 1 1 A 17 17 ILE C C 261 173.465 175.132 -1.667 1
1 198 . 9 1 1 A 17 17 ILE CA C 261 57.461 60.170 -2.709 1
1 199 . 9 1 1 A 17 17 ILE CB C 261 41.882 41.598 0.284 1
1 203 . 9 1 1 A 17 17 ILE N N 261 131.680 125.678 6.002 1
1 204 . 9 1 1 A 18 18 ASP H H 262 8.043 8.766 -0.723 1
1 205 . 9 1 1 A 18 18 ASP HA H 262 4.498 4.524 -0.026 1
1 208 . 9 1 1 A 18 18 ASP C C 262 174.970 175.894 -0.924 1
1 209 . 9 1 1 A 18 18 ASP CA C 262 54.962 54.711 0.251 1
1 210 . 9 1 1 A 18 18 ASP CB C 262 41.518 41.219 0.299 1
1 211 . 9 1 1 A 18 18 ASP N N 262 132.455 127.851 4.604 1
1 212 . 9 1 1 A 19 19 GLU H H 263 8.058 8.761 -0.703 1
1 213 . 9 1 1 A 19 19 GLU HA H 263 3.322 3.926 -0.604 1
1 218 . 9 1 1 A 19 19 GLU C C 263 176.656 177.308 -0.652 1
1 219 . 9 1 1 A 19 19 GLU CA C 263 58.351 58.324 0.027 1
1 220 . 9 1 1 A 19 19 GLU CB C 263 29.716 29.349 0.367 1
1 222 . 9 1 1 A 19 19 GLU N N 263 126.424 124.751 1.673 1
1 223 . 9 1 1 A 20 20 GLY H H 264 9.131 9.130 0.001 1
1 224 . 9 1 1 A 20 20 GLY HA2 H 264 3.366 4.000 -0.634 1
1 225 . 9 1 1 A 20 20 GLY HA3 H 264 4.196 4.004 0.192 1
1 226 . 9 1 1 A 20 20 GLY C C 264 174.582 174.589 -0.007 1
1 227 . 9 1 1 A 20 20 GLY CA C 264 44.837 45.038 -0.201 1
1 228 . 9 1 1 A 20 20 GLY N N 264 119.124 115.118 4.006 1
1 229 . 9 1 1 A 21 21 ARG H H 265 7.192 7.345 -0.153 1
1 230 . 9 1 1 A 21 21 ARG HA H 265 4.377 4.443 -0.066 1
1 238 . 9 1 1 A 21 21 ARG C C 265 174.091 175.764 -1.673 1
1 239 . 9 1 1 A 21 21 ARG CA C 265 55.263 55.911 -0.648 1
1 240 . 9 1 1 A 21 21 ARG CB C 265 31.467 31.756 -0.289 1
1 243 . 9 1 1 A 21 21 ARG N N 265 126.182 120.371 5.811 1
1 245 . 9 1 1 A 22 22 PHE H H 266 7.699 8.866 -1.167 1
1 246 . 9 1 1 A 22 22 PHE HA H 266 4.688 4.969 -0.281 1
1 254 . 9 1 1 A 22 22 PHE C C 266 175.911 174.794 1.117 1
1 255 . 9 1 1 A 22 22 PHE CA C 266 57.132 59.134 -2.002 1
1 256 . 9 1 1 A 22 22 PHE CB C 266 41.270 40.109 1.161 1
1 260 . 9 1 1 A 22 22 PHE N N 266 127.111 122.800 4.311 1
1 261 . 9 1 1 A 23 23 CYS H H 267 8.140 8.283 -0.143 1
1 262 . 9 1 1 A 23 23 CYS HA H 267 4.282 5.119 -0.837 1
1 265 . 9 1 1 A 23 23 CYS C C 267 170.233 172.606 -2.373 1
1 266 . 9 1 1 A 23 23 CYS CA C 267 57.626 56.237 1.389 1
1 267 . 9 1 1 A 23 23 CYS CB C 267 30.411 32.284 -1.873 1
1 268 . 9 1 1 A 23 23 CYS N N 267 130.194 124.431 5.763 1
1 269 . 9 1 1 A 24 24 ARG H H 268 8.160 8.881 -0.721 1
1 270 . 9 1 1 A 24 24 ARG HA H 268 5.167 5.293 -0.126 1
1 278 . 9 1 1 A 24 24 ARG CA C 268 53.910 54.181 -0.271 1
1 279 . 9 1 1 A 24 24 ARG CB C 268 35.114 34.373 0.741 1
1 283 . 9 1 1 A 25 25 MET H H 269 8.839 8.303 0.536 1
1 284 . 9 1 1 A 25 25 MET HA H 269 4.518 5.517 -0.999 1
1 292 . 9 1 1 A 25 25 MET C C 269 174.090 174.296 -0.206 1
1 293 . 9 1 1 A 25 25 MET CA C 269 54.960 53.783 1.177 1
1 294 . 9 1 1 A 25 25 MET CB C 269 35.645 37.076 -1.431 1
1 297 . 9 1 1 A 25 25 MET N N 269 127.757 119.147 8.610 1
1 298 . 9 1 1 A 26 26 ASP H H 270 8.473 8.955 -0.482 1
1 299 . 9 1 1 A 26 26 ASP HA H 270 5.772 5.455 0.317 1
1 302 . 9 1 1 A 26 26 ASP CA C 270 53.157 53.195 -0.038 1
1 303 . 9 1 1 A 26 26 ASP CB C 270 43.595 43.123 0.472 1
1 304 . 9 1 1 A 26 26 ASP N N 270 129.880 119.826 10.054 1
1 305 . 9 1 1 A 27 27 PHE H H 271 9.180 9.410 -0.230 1
1 306 . 9 1 1 A 27 27 PHE HA H 271 5.014 5.102 -0.088 1
1 314 . 9 1 1 A 27 27 PHE CA C 271 55.904 56.213 -0.309 1
1 317 . 9 1 1 A 27 27 PHE N N 271 123.116 122.907 0.209 1
1 318 . 9 1 1 A 28 28 LYS H H 272 9.221 8.565 0.656 1
1 327 . 9 1 1 A 28 28 LYS CA C 272 59.294 55.614 3.680 1
1 328 . 9 1 1 A 28 28 LYS CB C 272 38.090 30.958 7.132 1
1 332 . 9 1 1 A 28 28 LYS N N 272 131.321 125.935 5.386 1
1 333 . 9 1 1 A 29 29 VAL H H 273 8.304 8.541 -0.237 1
1 334 . 9 1 1 A 29 29 VAL HA H 273 4.331 4.179 0.152 1
1 342 . 9 1 1 A 29 29 VAL C C 273 175.240 174.562 0.678 1
1 343 . 9 1 1 A 29 29 VAL CA C 273 61.020 62.545 -1.525 1
1 344 . 9 1 1 A 29 29 VAL CB C 273 33.889 32.276 1.613 1
1 347 . 9 1 1 A 30 30 SER H H 274 8.545 8.338 0.207 1
1 348 . 9 1 1 A 30 30 SER HA H 274 4.647 5.308 -0.661 1
1 351 . 9 1 1 A 30 30 SER C C 274 172.993 173.700 -0.707 1
1 352 . 9 1 1 A 30 30 SER CA C 274 56.505 57.284 -0.779 1
1 353 . 9 1 1 A 30 30 SER CB C 274 65.805 65.692 0.113 1
1 354 . 9 1 1 A 30 30 SER N N 274 129.796 127.033 2.763 1
1 355 . 9 1 1 A 31 31 GLY H H 275 7.712 8.603 -0.891 1
1 356 . 9 1 1 A 31 31 GLY HA2 H 275 3.220 4.369 -1.149 1
1 357 . 9 1 1 A 31 31 GLY HA3 H 275 3.649 4.372 -0.723 1
1 358 . 9 1 1 A 31 31 GLY C C 275 170.984 172.110 -1.126 1
1 359 . 9 1 1 A 31 31 GLY CA C 275 45.099 45.342 -0.243 1
1 360 . 9 1 1 A 31 31 GLY N N 275 115.009 112.185 2.824 1
1 361 . 9 1 1 A 32 32 LEU H H 276 7.668 8.552 -0.884 1
1 362 . 9 1 1 A 32 32 LEU HA H 276 4.301 4.807 -0.506 1
1 372 . 9 1 1 A 32 32 LEU C C 276 173.812 174.960 -1.148 1
1 373 . 9 1 1 A 32 32 LEU CA C 276 52.370 51.432 0.938 1
1 374 . 9 1 1 A 32 32 LEU CB C 276 45.554 45.558 -0.004 1
1 378 . 9 1 1 A 32 32 LEU N N 276 129.727 121.453 8.274 1
1 379 . 9 1 1 A 33 33 PRO HA H 277 4.416 4.598 -0.182 1
1 386 . 9 1 1 A 33 33 PRO CA C 277 62.576 62.380 0.196 1
1 387 . 9 1 1 A 33 33 PRO CB C 277 35.012 32.489 2.523 1
1 390 . 9 1 1 A 34 34 ALA H H 278 8.598 8.331 0.267 1
1 391 . 9 1 1 A 34 34 ALA HA H 278 4.153 4.313 -0.160 1
1 395 . 9 1 1 A 34 34 ALA CA C 278 50.822 50.656 0.166 1
1 396 . 9 1 1 A 34 34 ALA CB C 278 17.462 18.838 -1.376 1
1 397 . 9 1 1 A 34 34 ALA N N 278 131.518 124.358 7.160 1
1 398 . 9 1 1 A 35 35 PRO HA H 279 4.206 4.616 -0.410 1
1 405 . 9 1 1 A 35 35 PRO C C 279 175.701 175.986 -0.285 1
1 406 . 9 1 1 A 35 35 PRO CA C 279 62.628 62.376 0.252 1
1 407 . 9 1 1 A 35 35 PRO CB C 279 33.069 32.054 1.015 1
1 410 . 9 1 1 A 36 36 ASP H H 280 8.621 8.486 0.135 1
1 411 . 9 1 1 A 36 36 ASP HA H 280 4.659 4.718 -0.059 1
1 414 . 9 1 1 A 36 36 ASP C C 280 176.057 176.075 -0.018 1
1 415 . 9 1 1 A 36 36 ASP CA C 280 54.307 54.081 0.226 1
1 416 . 9 1 1 A 36 36 ASP CB C 280 42.741 41.625 1.116 1
1 417 . 9 1 1 A 36 36 ASP N N 280 127.555 122.090 5.465 1
1 418 . 9 1 1 A 37 37 VAL H H 281 8.635 8.985 -0.350 1
1 419 . 9 1 1 A 37 37 VAL HA H 281 4.938 4.957 -0.019 1
1 427 . 9 1 1 A 37 37 VAL CA C 281 61.135 59.872 1.263 1
1 428 . 9 1 1 A 37 37 VAL CB C 281 34.579 34.175 0.404 1
1 431 . 9 1 1 A 38 38 SER H H 282 8.591 8.794 -0.203 1
1 432 . 9 1 1 A 38 38 SER HA H 282 4.518 5.174 -0.656 1
1 435 . 9 1 1 A 38 38 SER CA C 282 57.540 57.481 0.059 1
1 436 . 9 1 1 A 38 38 SER CB C 282 66.530 65.510 1.020 1
1 437 . 9 1 1 A 38 38 SER N N 282 128.264 120.723 7.541 1
1 438 . 9 1 1 A 39 39 TRP H H 283 8.426 8.830 -0.404 1
1 439 . 9 1 1 A 39 39 TRP HA H 283 5.297 5.398 -0.101 1
1 448 . 9 1 1 A 39 39 TRP CA C 283 56.298 56.773 -0.475 1
1 449 . 9 1 1 A 39 39 TRP CB C 283 33.153 31.330 1.823 1
1 455 . 9 1 1 A 39 39 TRP N N 283 127.698 127.792 -0.094 1
1 456 . 9 1 1 A 40 40 TYR H H 284 9.373 9.330 0.043 1
1 457 . 9 1 1 A 40 40 TYR HA H 284 4.903 5.447 -0.544 1
1 464 . 9 1 1 A 40 40 TYR C C 284 174.148 174.656 -0.508 1
1 465 . 9 1 1 A 40 40 TYR CA C 284 56.849 56.241 0.608 1
1 466 . 9 1 1 A 40 40 TYR CB C 284 42.754 43.267 -0.513 1
1 469 . 9 1 1 A 40 40 TYR N N 284 125.437 120.450 4.987 1
1 470 . 9 1 1 A 41 41 LEU H H 285 8.898 9.215 -0.317 1
1 471 . 9 1 1 A 41 41 LEU HA H 285 4.255 4.629 -0.374 1
1 481 . 9 1 1 A 41 41 LEU C C 285 176.606 175.465 1.141 1
1 482 . 9 1 1 A 41 41 LEU CA C 285 53.659 53.962 -0.303 1
1 483 . 9 1 1 A 41 41 LEU CB C 285 43.740 44.756 -1.016 1
1 487 . 9 1 1 A 41 41 LEU N N 285 129.512 122.564 6.948 1
1 488 . 9 1 1 A 42 42 ASN H H 286 9.454 9.414 0.040 1
1 489 . 9 1 1 A 42 42 ASN HA H 286 4.221 4.420 -0.199 1
1 494 . 9 1 1 A 42 42 ASN C C 286 175.692 175.276 0.416 1
1 495 . 9 1 1 A 42 42 ASN CA C 286 54.239 54.405 -0.166 1
1 496 . 9 1 1 A 42 42 ASN CB C 286 37.331 36.964 0.367 1
1 497 . 9 1 1 A 42 42 ASN N N 286 134.097 126.375 7.722 1
1 499 . 9 1 1 A 43 43 GLY H H 287 8.709 8.381 0.328 1
1 500 . 9 1 1 A 43 43 GLY HA2 H 287 3.356 3.917 -0.561 1
1 501 . 9 1 1 A 43 43 GLY HA3 H 287 3.995 3.922 0.073 1
1 502 . 9 1 1 A 43 43 GLY C C 287 173.786 174.101 -0.315 1
1 503 . 9 1 1 A 43 43 GLY CA C 287 45.450 45.137 0.313 1
1 504 . 9 1 1 A 43 43 GLY N N 287 108.807 104.966 3.841 1
1 505 . 9 1 1 A 44 44 ARG H H 288 7.902 7.640 0.262 1
1 506 . 9 1 1 A 44 44 ARG HA H 288 4.697 4.756 -0.059 1
1 514 . 9 1 1 A 44 44 ARG C C 288 175.799 176.312 -0.513 1
1 515 . 9 1 1 A 44 44 ARG CA C 288 54.658 54.163 0.495 1
1 516 . 9 1 1 A 44 44 ARG CB C 288 32.436 32.095 0.341 1
1 519 . 9 1 1 A 44 44 ARG N N 288 127.837 120.129 7.708 1
1 521 . 9 1 1 A 45 45 THR H H 289 8.539 8.713 -0.174 1
1 522 . 9 1 1 A 45 45 THR HA H 289 3.763 4.191 -0.428 1
1 527 . 9 1 1 A 45 45 THR C C 289 174.692 174.294 0.398 1
1 528 . 9 1 1 A 45 45 THR CA C 289 63.977 61.712 2.265 1
1 529 . 9 1 1 A 45 45 THR CB C 289 69.706 69.890 -0.184 1
1 531 . 9 1 1 A 45 45 THR N N 289 126.100 113.943 12.157 1
1 532 . 9 1 1 A 46 46 VAL H H 290 8.033 8.334 -0.301 1
1 533 . 9 1 1 A 46 46 VAL HA H 290 3.647 4.500 -0.853 1
1 541 . 9 1 1 A 46 46 VAL C C 290 174.672 175.418 -0.746 1
1 542 . 9 1 1 A 46 46 VAL CA C 290 62.458 61.543 0.915 1
1 543 . 9 1 1 A 46 46 VAL CB C 290 32.500 34.271 -1.771 1
1 546 . 9 1 1 A 46 46 VAL N N 290 134.795 121.321 13.474 1
1 547 . 9 1 1 A 47 47 GLN H H 291 8.124 8.565 -0.441 1
1 548 . 9 1 1 A 47 47 GLN HA H 291 4.281 4.311 -0.030 1
1 555 . 9 1 1 A 47 47 GLN C C 291 175.398 175.721 -0.323 1
1 556 . 9 1 1 A 47 47 GLN CA C 291 54.235 56.227 -1.992 1
1 557 . 9 1 1 A 47 47 GLN CB C 291 30.283 29.313 0.970 1
1 559 . 9 1 1 A 47 47 GLN N N 291 132.792 127.150 5.642 1
1 561 . 9 1 1 A 48 48 SER H H 292 8.280 8.512 -0.232 1
1 562 . 9 1 1 A 48 48 SER HA H 292 4.308 4.448 -0.140 1
1 565 . 9 1 1 A 48 48 SER C C 292 174.304 173.455 0.849 1
1 566 . 9 1 1 A 48 48 SER CA C 292 58.222 58.239 -0.017 1
1 567 . 9 1 1 A 48 48 SER CB C 292 63.719 64.662 -0.943 1
1 568 . 9 1 1 A 48 48 SER N N 292 123.481 116.716 6.765 1
1 569 . 9 1 1 A 49 49 ASP H H 293 9.050 8.664 0.386 1
1 570 . 9 1 1 A 49 49 ASP HA H 293 4.482 5.093 -0.611 1
1 573 . 9 1 1 A 49 49 ASP C C 293 176.099 175.633 0.466 1
1 574 . 9 1 1 A 49 49 ASP CA C 293 53.668 52.994 0.674 1
1 575 . 9 1 1 A 49 49 ASP CB C 293 40.100 44.295 -4.195 1
1 576 . 9 1 1 A 49 49 ASP N N 293 131.157 120.899 10.258 1
1 577 . 9 1 1 A 50 50 ASP H H 294 8.324 8.895 -0.571 1
1 578 . 9 1 1 A 50 50 ASP HA H 294 4.167 4.239 -0.072 1
1 581 . 9 1 1 A 50 50 ASP C C 294 176.520 177.580 -1.060 1
1 582 . 9 1 1 A 50 50 ASP CA C 294 57.367 57.613 -0.246 1
1 583 . 9 1 1 A 50 50 ASP CB C 294 40.226 40.534 -0.308 1
1 584 . 9 1 1 A 50 50 ASP N N 294 122.206 124.793 -2.587 1
1 585 . 9 1 1 A 51 51 LEU H H 295 7.749 7.715 0.034 1
1 586 . 9 1 1 A 51 51 LEU HA H 295 4.281 4.110 0.171 1
1 596 . 9 1 1 A 51 51 LEU C C 295 175.716 176.495 -0.779 1
1 597 . 9 1 1 A 51 51 LEU CA C 295 54.407 55.547 -1.140 1
1 598 . 9 1 1 A 51 51 LEU CB C 295 43.849 42.151 1.698 1
1 602 . 9 1 1 A 51 51 LEU N N 295 121.836 117.903 3.933 1
1 603 . 9 1 1 A 52 52 HIS H H 296 7.548 7.541 0.007 1
1 604 . 9 1 1 A 52 52 HIS HA H 296 5.091 4.810 0.281 1
1 609 . 9 1 1 A 52 52 HIS C C 296 172.683 173.917 -1.234 1
1 610 . 9 1 1 A 52 52 HIS CA C 296 54.900 53.819 1.081 1
1 611 . 9 1 1 A 52 52 HIS CB C 296 28.894 29.240 -0.346 1
1 614 . 9 1 1 A 52 52 HIS N N 296 126.326 115.921 10.405 1
1 615 . 9 1 1 A 53 53 LYS H H 297 8.515 8.441 0.074 1
1 616 . 9 1 1 A 53 53 LYS HA H 297 4.608 4.225 0.383 1
1 625 . 9 1 1 A 53 53 LYS C C 297 174.797 175.857 -1.060 1
1 626 . 9 1 1 A 53 53 LYS CA C 297 54.303 56.763 -2.460 1
1 627 . 9 1 1 A 53 53 LYS CB C 297 35.705 32.932 2.773 1
1 631 . 9 1 1 A 53 53 LYS N N 297 127.067 122.744 4.323 1
1 632 . 9 1 1 A 54 54 MET H H 298 8.379 8.902 -0.523 1
1 633 . 9 1 1 A 54 54 MET HA H 298 5.091 5.300 -0.209 1
1 641 . 9 1 1 A 54 54 MET CA C 298 55.427 54.415 1.012 1
1 642 . 9 1 1 A 54 54 MET CB C 298 34.100 35.085 -0.985 1
1 645 . 9 1 1 A 54 54 MET N N 298 128.992 122.071 6.921 1
1 646 . 9 1 1 A 55 55 ILE H H 299 8.279 8.746 -0.467 1
1 647 . 9 1 1 A 55 55 ILE HA H 299 4.602 5.277 -0.675 1
1 657 . 9 1 1 A 55 55 ILE CA C 299 59.130 59.194 -0.064 1
1 658 . 9 1 1 A 55 55 ILE CB C 299 42.747 42.294 0.453 1
1 662 . 9 1 1 A 56 56 VAL H H 300 9.227 8.804 0.423 1
1 663 . 9 1 1 A 56 56 VAL HA H 300 4.912 5.192 -0.280 1
1 671 . 9 1 1 A 56 56 VAL CA C 300 59.226 59.303 -0.077 1
1 672 . 9 1 1 A 56 56 VAL CB C 300 36.406 35.954 0.452 1
1 675 . 9 1 1 A 57 57 SER H H 301 8.794 8.657 0.137 1
1 676 . 9 1 1 A 57 57 SER HA H 301 4.575 5.150 -0.575 1
1 679 . 9 1 1 A 57 57 SER CA C 301 56.558 56.324 0.234 1
1 680 . 9 1 1 A 57 57 SER CB C 301 65.617 65.462 0.155 1
1 681 . 9 1 1 A 57 57 SER N N 301 128.893 116.878 12.015 1
1 682 . 9 1 1 A 58 58 GLU HA H 302 4.013 4.101 -0.088 1
1 687 . 9 1 1 A 58 58 GLU CA C 302 58.165 58.962 -0.797 1
1 688 . 9 1 1 A 58 58 GLU CB C 302 29.508 29.076 0.432 1
1 690 . 9 1 1 A 59 59 LYS HA H 303 4.114 4.323 -0.209 1
1 699 . 9 1 1 A 59 59 LYS C C 303 176.755 176.860 -0.105 1
1 700 . 9 1 1 A 59 59 LYS CA C 303 55.913 55.908 0.005 1
1 701 . 9 1 1 A 59 59 LYS CB C 303 31.679 32.928 -1.249 1
1 705 . 9 1 1 A 60 60 GLY H H 304 7.813 8.302 -0.489 1
1 706 . 9 1 1 A 60 60 GLY HA2 H 304 4.037 3.959 0.078 1
1 707 . 9 1 1 A 60 60 GLY HA3 H 304 3.411 3.960 -0.549 1
1 708 . 9 1 1 A 60 60 GLY C C 304 173.480 173.665 -0.185 1
1 709 . 9 1 1 A 60 60 GLY CA C 304 45.955 46.647 -0.692 1
1 710 . 9 1 1 A 60 60 GLY N N 304 113.597 108.300 5.297 1
1 711 . 9 1 1 A 61 61 LEU H H 305 7.253 7.731 -0.478 1
1 712 . 9 1 1 A 61 61 LEU HA H 305 4.396 5.001 -0.605 1
1 722 . 9 1 1 A 61 61 LEU CA C 305 54.825 53.926 0.899 1
1 723 . 9 1 1 A 61 61 LEU CB C 305 43.099 45.819 -2.720 1
1 727 . 9 1 1 A 61 61 LEU N N 305 128.081 119.317 8.764 1
1 728 . 9 1 1 A 62 62 HIS H H 306 8.294 9.025 -0.731 1
1 733 . 9 1 1 A 62 62 HIS N N 306 130.344 125.957 4.387 1
1 734 . 9 1 1 A 63 63 SER HA H 307 5.980 5.388 0.592 1
1 737 . 9 1 1 A 63 63 SER CA C 307 57.517 57.439 0.078 1
1 738 . 9 1 1 A 63 63 SER CB C 307 66.760 65.352 1.408 1
1 739 . 9 1 1 A 64 64 LEU H H 308 8.827 8.650 0.177 1
1 740 . 9 1 1 A 64 64 LEU HA H 308 4.657 4.498 0.159 1
1 750 . 9 1 1 A 64 64 LEU C C 308 174.337 174.929 -0.592 1
1 751 . 9 1 1 A 64 64 LEU CA C 308 54.386 53.635 0.751 1
1 752 . 9 1 1 A 64 64 LEU CB C 308 42.678 44.425 -1.747 1
1 756 . 9 1 1 A 65 65 ILE H H 309 9.009 9.114 -0.105 1
1 757 . 9 1 1 A 65 65 ILE HA H 309 3.880 4.394 -0.514 1
1 767 . 9 1 1 A 65 65 ILE C C 309 173.963 174.919 -0.956 1
1 768 . 9 1 1 A 65 65 ILE CA C 309 60.296 60.084 0.212 1
1 769 . 9 1 1 A 65 65 ILE CB C 309 40.727 38.850 1.877 1
1 773 . 9 1 1 A 65 65 ILE N N 309 133.046 128.506 4.540 1
1 774 . 9 1 1 A 66 66 PHE H H 310 8.508 8.687 -0.179 1
1 775 . 9 1 1 A 66 66 PHE HA H 310 4.367 4.852 -0.485 1
1 783 . 9 1 1 A 66 66 PHE C C 310 174.555 175.610 -1.055 1
1 784 . 9 1 1 A 66 66 PHE CA C 310 54.878 56.041 -1.163 1
1 785 . 9 1 1 A 66 66 PHE CB C 310 38.819 40.000 -1.181 1
1 789 . 9 1 1 A 66 66 PHE N N 310 132.294 124.839 7.455 1
1 790 . 9 1 1 A 67 67 GLU H H 311 7.879 8.797 -0.918 1
1 791 . 9 1 1 A 67 67 GLU HA H 311 4.025 4.380 -0.355 1
1 796 . 9 1 1 A 67 67 GLU C C 311 177.819 177.179 0.640 1
1 797 . 9 1 1 A 67 67 GLU CA C 311 59.266 59.209 0.057 1
1 798 . 9 1 1 A 67 67 GLU CB C 311 30.421 30.395 0.026 1
1 800 . 9 1 1 A 67 67 GLU N N 311 127.092 124.044 3.048 1
1 801 . 9 1 1 A 68 68 VAL H H 312 7.428 7.584 -0.156 1
1 802 . 9 1 1 A 68 68 VAL HA H 312 3.402 4.490 -1.088 1
1 810 . 9 1 1 A 68 68 VAL C C 312 173.921 174.219 -0.298 1
1 811 . 9 1 1 A 68 68 VAL CA C 312 61.444 61.058 0.386 1
1 812 . 9 1 1 A 68 68 VAL CB C 312 34.790 32.791 1.999 1
1 815 . 9 1 1 A 68 68 VAL N N 312 120.315 116.928 3.387 1
1 816 . 9 1 1 A 69 69 VAL H H 313 8.233 8.714 -0.481 1
1 817 . 9 1 1 A 69 69 VAL HA H 313 3.829 4.264 -0.435 1
1 825 . 9 1 1 A 69 69 VAL C C 313 175.123 175.029 0.094 1
1 826 . 9 1 1 A 69 69 VAL CA C 313 63.200 62.669 0.531 1
1 827 . 9 1 1 A 69 69 VAL CB C 313 32.836 32.601 0.235 1
1 830 . 9 1 1 A 69 69 VAL N N 313 132.928 128.885 4.043 1
1 831 . 9 1 1 A 70 70 ARG H H 314 9.259 8.859 0.400 1
1 832 . 9 1 1 A 70 70 ARG HA H 314 4.776 4.707 0.069 1
1 839 . 9 1 1 A 70 70 ARG C C 314 177.491 176.619 0.872 1
1 840 . 9 1 1 A 70 70 ARG CA C 314 53.728 53.895 -0.167 1
1 841 . 9 1 1 A 70 70 ARG CB C 314 34.282 33.093 1.189 1
1 844 . 9 1 1 A 70 70 ARG N N 314 133.209 127.498 5.711 1
1 845 . 9 1 1 A 71 71 ALA H H 315 9.059 9.044 0.015 1
1 846 . 9 1 1 A 71 71 ALA HA H 315 3.676 4.030 -0.354 1
1 850 . 9 1 1 A 71 71 ALA C C 315 180.122 179.699 0.423 1
1 851 . 9 1 1 A 71 71 ALA CA C 315 56.356 55.321 1.035 1
1 852 . 9 1 1 A 71 71 ALA CB C 315 17.923 18.300 -0.377 1
1 853 . 9 1 1 A 71 71 ALA N N 315 131.839 124.378 7.461 1
1 854 . 9 1 1 A 72 72 SER H H 316 7.735 8.015 -0.280 1
1 855 . 9 1 1 A 72 72 SER HA H 316 4.046 4.222 -0.176 1
1 858 . 9 1 1 A 72 72 SER C C 316 175.495 174.561 0.934 1
1 859 . 9 1 1 A 72 72 SER CA C 316 60.037 61.292 -1.255 1
1 860 . 9 1 1 A 72 72 SER CB C 316 62.381 63.113 -0.732 1
1 861 . 9 1 1 A 72 72 SER N N 316 115.841 113.541 2.300 1
1 862 . 9 1 1 A 73 73 ASP H H 317 8.175 7.972 0.203 1
1 863 . 9 1 1 A 73 73 ASP HA H 317 4.644 4.739 -0.095 1
1 866 . 9 1 1 A 73 73 ASP C C 317 176.176 176.183 -0.007 1
1 867 . 9 1 1 A 73 73 ASP CA C 317 55.305 54.799 0.506 1
1 868 . 9 1 1 A 73 73 ASP CB C 317 42.572 41.335 1.237 1
1 869 . 9 1 1 A 73 73 ASP N N 317 126.327 118.990 7.337 1
1 870 . 9 1 1 A 74 74 ALA H H 318 7.339 6.960 0.379 1
1 871 . 9 1 1 A 74 74 ALA HA H 318 4.013 4.262 -0.249 1
1 875 . 9 1 1 A 74 74 ALA C C 318 176.813 177.178 -0.365 1
1 876 . 9 1 1 A 74 74 ALA CA C 318 53.570 53.041 0.529 1
1 877 . 9 1 1 A 74 74 ALA CB C 318 20.548 20.397 0.151 1
1 878 . 9 1 1 A 74 74 ALA N N 318 127.859 122.026 5.833 1
1 879 . 9 1 1 A 75 75 GLY H H 319 8.797 8.768 0.029 1
1 880 . 9 1 1 A 75 75 GLY HA2 H 319 3.599 4.071 -0.472 1
1 881 . 9 1 1 A 75 75 GLY HA3 H 319 4.239 4.134 0.105 1
1 882 . 9 1 1 A 75 75 GLY C C 319 170.102 172.230 -2.128 1
1 883 . 9 1 1 A 75 75 GLY CA C 319 45.105 44.271 0.834 1
1 884 . 9 1 1 A 75 75 GLY N N 319 114.261 107.117 7.144 1
1 885 . 9 1 1 A 76 76 ALA H H 320 7.621 8.142 -0.521 1
1 886 . 9 1 1 A 76 76 ALA HA H 320 4.521 4.811 -0.290 1
1 890 . 9 1 1 A 76 76 ALA C C 320 176.291 176.447 -0.156 1
1 891 . 9 1 1 A 76 76 ALA CA C 320 51.158 51.457 -0.299 1
1 892 . 9 1 1 A 76 76 ALA CB C 320 19.242 19.355 -0.113 1
1 893 . 9 1 1 A 76 76 ALA N N 320 129.042 122.788 6.254 1
1 894 . 9 1 1 A 77 77 TYR H H 321 9.406 8.807 0.599 1
1 895 . 9 1 1 A 77 77 TYR HA H 321 5.237 5.237 0.000 1
1 903 . 9 1 1 A 77 77 TYR C C 321 175.676 176.087 -0.411 1
1 904 . 9 1 1 A 77 77 TYR CA C 321 57.779 58.115 -0.336 1
1 905 . 9 1 1 A 77 77 TYR CB C 321 40.623 40.021 0.602 1
1 908 . 9 1 1 A 77 77 TYR N N 321 132.635 124.314 8.321 1
1 909 . 9 1 1 A 78 78 ALA H H 322 9.084 9.140 -0.056 1
1 910 . 9 1 1 A 78 78 ALA HA H 322 5.031 5.413 -0.382 1
1 914 . 9 1 1 A 78 78 ALA CA C 322 50.120 51.410 -1.290 1
1 915 . 9 1 1 A 78 78 ALA CB C 322 21.653 24.106 -2.453 1
1 916 . 9 1 1 A 78 78 ALA N N 322 130.291 122.269 8.022 1
1 917 . 9 1 1 A 79 79 CYS H H 323 7.932 8.863 -0.931 1
1 918 . 9 1 1 A 79 79 CYS HA H 323 4.037 4.829 -0.792 1
1 919 . 9 1 1 A 79 79 CYS C C 323 173.727 172.983 0.744 1
1 920 . 9 1 1 A 79 79 CYS CA C 323 56.345 56.917 -0.572 1
1 921 . 9 1 1 A 80 80 VAL H H 324 8.671 8.981 -0.310 1
1 922 . 9 1 1 A 80 80 VAL HA H 324 4.596 4.386 0.210 1
1 930 . 9 1 1 A 80 80 VAL C C 324 174.904 175.296 -0.392 1
1 931 . 9 1 1 A 80 80 VAL CA C 324 60.907 61.855 -0.948 1
1 932 . 9 1 1 A 80 80 VAL CB C 324 34.334 31.977 2.357 1
1 934 . 9 1 1 A 80 80 VAL N N 324 135.079 126.818 8.261 1
1 935 . 9 1 1 A 81 81 ALA H H 325 9.107 9.077 0.030 1
1 936 . 9 1 1 A 81 81 ALA HA H 325 5.220 5.449 -0.229 1
1 940 . 9 1 1 A 81 81 ALA C C 325 175.446 175.845 -0.399 1
1 941 . 9 1 1 A 81 81 ALA CA C 325 49.197 49.987 -0.790 1
1 942 . 9 1 1 A 81 81 ALA CB C 325 22.479 21.598 0.881 1
1 943 . 9 1 1 A 81 81 ALA N N 325 136.369 129.519 6.850 1
1 944 . 9 1 1 A 82 82 LYS H H 326 8.734 8.846 -0.112 1
1 945 . 9 1 1 A 82 82 LYS HA H 326 5.021 5.090 -0.069 1
1 954 . 9 1 1 A 82 82 LYS C C 326 175.054 175.168 -0.114 1
1 955 . 9 1 1 A 82 82 LYS CA C 326 55.451 54.543 0.908 1
1 956 . 9 1 1 A 82 82 LYS CB C 326 37.852 35.510 2.342 1
1 960 . 9 1 1 A 82 82 LYS N N 326 128.038 122.700 5.338 1
1 961 . 9 1 1 A 83 83 ASN H H 327 8.949 8.842 0.107 1
1 962 . 9 1 1 A 83 83 ASN HA H 327 4.624 5.155 -0.531 1
1 967 . 9 1 1 A 83 83 ASN C C 327 176.409 175.501 0.908 1
1 968 . 9 1 1 A 83 83 ASN CA C 327 51.838 51.501 0.337 1
1 969 . 9 1 1 A 83 83 ASN CB C 327 40.927 39.978 0.949 1
1 970 . 9 1 1 A 83 83 ASN N N 327 128.769 121.846 6.923 1
1 972 . 9 1 1 A 84 84 ARG H H 328 8.203 9.145 -0.942 1
1 973 . 9 1 1 A 84 84 ARG HA H 328 3.917 4.082 -0.165 1
1 981 . 9 1 1 A 84 84 ARG C C 328 175.820 176.108 -0.288 1
1 982 . 9 1 1 A 84 84 ARG CA C 328 58.250 58.311 -0.061 1
1 983 . 9 1 1 A 84 84 ARG CB C 328 29.985 29.673 0.312 1
1 986 . 9 1 1 A 84 84 ARG N N 328 121.021 117.735 3.286 1
1 988 . 9 1 1 A 85 85 ALA H H 329 7.599 8.083 -0.484 1
1 989 . 9 1 1 A 85 85 ALA HA H 329 4.279 4.478 -0.199 1
1 993 . 9 1 1 A 85 85 ALA C C 329 177.261 177.093 0.168 1
1 994 . 9 1 1 A 85 85 ALA CA C 329 51.905 51.860 0.045 1
1 995 . 9 1 1 A 85 85 ALA CB C 329 19.637 20.264 -0.627 1
1 996 . 9 1 1 A 85 85 ALA N N 329 125.074 121.626 3.448 1
1 997 . 9 1 1 A 86 86 GLY H H 330 7.624 7.202 0.422 1
1 998 . 9 1 1 A 86 86 GLY HA2 H 330 3.806 4.065 -0.259 1
1 999 . 9 1 1 A 86 86 GLY HA3 H 330 4.164 4.070 0.094 1
1 1000 . 9 1 1 A 86 86 GLY C C 330 169.646 170.983 -1.337 1
1 1001 . 9 1 1 A 86 86 GLY CA C 330 46.012 45.654 0.358 1
1 1002 . 9 1 1 A 86 86 GLY N N 330 112.891 104.080 8.811 1
1 1003 . 9 1 1 A 87 87 GLU H H 331 8.213 8.476 -0.263 1
1 1004 . 9 1 1 A 87 87 GLU HA H 331 5.274 5.397 -0.123 1
1 1009 . 9 1 1 A 87 87 GLU C C 331 174.418 174.672 -0.254 1
1 1010 . 9 1 1 A 87 87 GLU CA C 331 54.349 54.875 -0.526 1
1 1011 . 9 1 1 A 87 87 GLU CB C 331 34.615 33.558 1.057 1
1 1013 . 9 1 1 A 87 87 GLU N N 331 123.208 120.400 2.808 1
1 1014 . 9 1 1 A 88 88 ALA H H 332 8.897 8.883 0.014 1
1 1015 . 9 1 1 A 88 88 ALA HA H 332 4.569 5.089 -0.520 1
1 1019 . 9 1 1 A 88 88 ALA C C 332 175.121 175.068 0.053 1
1 1020 . 9 1 1 A 88 88 ALA CA C 332 51.592 50.317 1.275 1
1 1021 . 9 1 1 A 88 88 ALA CB C 332 23.324 23.640 -0.316 1
1 1022 . 9 1 1 A 88 88 ALA N N 332 131.757 125.616 6.141 1
1 1023 . 9 1 1 A 89 89 THR H H 333 8.521 8.199 0.322 1
1 1024 . 9 1 1 A 89 89 THR HA H 333 5.661 4.838 0.823 1
1 1029 . 9 1 1 A 89 89 THR C C 333 173.827 173.089 0.738 1
1 1030 . 9 1 1 A 89 89 THR CA C 333 60.601 61.156 -0.555 1
1 1031 . 9 1 1 A 89 89 THR CB C 333 72.140 71.388 0.752 1
1 1033 . 9 1 1 A 89 89 THR N N 333 121.100 114.238 6.862 1
1 1034 . 9 1 1 A 90 90 PHE H H 334 8.603 8.974 -0.371 1
1 1035 . 9 1 1 A 90 90 PHE HA H 334 4.624 5.515 -0.891 1
1 1043 . 9 1 1 A 90 90 PHE CA C 334 56.618 56.305 0.313 1
1 1044 . 9 1 1 A 90 90 PHE CB C 334 42.489 42.787 -0.298 1
1 1048 . 9 1 1 A 91 91 THR H H 335 8.174 9.047 -0.873 1
1 1049 . 9 1 1 A 91 91 THR HA H 335 5.445 5.392 0.053 1
1 1054 . 9 1 1 A 91 91 THR CA C 335 60.110 61.517 -1.407 1
1 1055 . 9 1 1 A 91 91 THR CB C 335 71.671 72.165 -0.494 1
1 1057 . 9 1 1 A 92 92 VAL H H 336 9.158 9.063 0.095 1
1 1058 . 9 1 1 A 92 92 VAL HA H 336 4.432 4.872 -0.440 1
1 1066 . 9 1 1 A 92 92 VAL C C 336 171.594 173.459 -1.865 1
1 1067 . 9 1 1 A 92 92 VAL CA C 336 60.914 59.876 1.038 1
1 1068 . 9 1 1 A 92 92 VAL CB C 336 35.760 35.911 -0.151 1
1 1071 . 9 1 1 A 92 92 VAL N N 336 130.220 121.977 8.243 1
1 1072 . 9 1 1 A 93 93 GLN H H 337 8.302 8.597 -0.295 1
1 1073 . 9 1 1 A 93 93 GLN HA H 337 4.756 5.378 -0.622 1
1 1080 . 9 1 1 A 93 93 GLN C C 337 174.009 173.357 0.652 1
1 1081 . 9 1 1 A 93 93 GLN CA C 337 54.672 54.330 0.342 1
1 1082 . 9 1 1 A 93 93 GLN CB C 337 30.071 32.610 -2.539 1
1 1084 . 9 1 1 A 93 93 GLN N N 337 133.412 125.825 7.587 1
1 1086 . 9 1 1 A 94 94 LEU H H 338 8.812 9.260 -0.448 1
1 1087 . 9 1 1 A 94 94 LEU HA H 338 4.836 4.941 -0.105 1
1 1097 . 9 1 1 A 94 94 LEU C C 338 175.099 174.461 0.638 1
1 1098 . 9 1 1 A 94 94 LEU CA C 338 53.725 53.795 -0.070 1
1 1099 . 9 1 1 A 94 94 LEU CB C 338 44.955 45.376 -0.421 1
1 1103 . 9 1 1 A 94 94 LEU N N 338 133.816 127.562 6.254 1
1 1104 . 9 1 1 A 95 95 ASP H H 339 8.747 9.284 -0.537 1
1 1105 . 9 1 1 A 95 95 ASP HA H 339 4.871 4.824 0.047 1
1 1108 . 9 1 1 A 95 95 ASP C C 339 174.295 174.717 -0.422 1
1 1109 . 9 1 1 A 95 95 ASP CA C 339 53.311 52.877 0.434 1
1 1110 . 9 1 1 A 95 95 ASP CB C 339 42.895 40.755 2.140 1
1 1111 . 9 1 1 A 95 95 ASP N N 339 134.770 128.678 6.092 1
1 1112 . 9 1 1 A 96 96 VAL H H 340 7.745 8.212 -0.467 1
1 1113 . 9 1 1 A 96 96 VAL HA H 340 4.653 4.065 0.588 1
1 1121 . 9 1 1 A 96 96 VAL C C 340 175.494 175.467 0.027 1
1 1122 . 9 1 1 A 96 96 VAL CA C 340 60.722 63.053 -2.331 1
1 1123 . 9 1 1 A 96 96 VAL CB C 340 33.852 31.491 2.361 1
1 1126 . 9 1 1 A 96 96 VAL N N 340 128.328 125.381 2.947 1
1 1127 . 9 1 1 A 97 97 LEU H H 341 8.524 8.871 -0.347 1
1 1128 . 9 1 1 A 97 97 LEU HA H 341 4.243 4.596 -0.353 1
1 1138 . 9 1 1 A 97 97 LEU C C 341 176.052 176.316 -0.264 1
1 1139 . 9 1 1 A 97 97 LEU CA C 341 54.086 54.373 -0.287 1
1 1140 . 9 1 1 A 97 97 LEU CB C 341 41.446 41.035 0.411 1
1 1144 . 9 1 1 A 97 97 LEU N N 341 136.554 129.488 7.066 1
1 1145 . 9 1 1 A 98 98 ALA H H 342 8.344 8.617 -0.273 1
1 1146 . 9 1 1 A 98 98 ALA HA H 342 4.227 4.263 -0.036 1
1 1150 . 9 1 1 A 98 98 ALA C C 342 177.569 178.015 -0.446 1
1 1151 . 9 1 1 A 98 98 ALA CA C 342 51.964 52.404 -0.440 1
1 1152 . 9 1 1 A 98 98 ALA CB C 342 19.976 19.097 0.879 1
1 1153 . 9 1 1 A 98 98 ALA N N 342 134.558 128.161 6.397 1
1 1154 . 9 1 1 A 99 99 LYS H H 343 8.552 8.571 -0.019 1
1 1155 . 9 1 1 A 99 99 LYS HA H 343 4.119 4.076 0.043 1
1 1164 . 9 1 1 A 99 99 LYS C C 343 175.859 178.457 -2.598 1
1 1165 . 9 1 1 A 99 99 LYS CA C 343 56.453 59.577 -3.124 1
1 1166 . 9 1 1 A 99 99 LYS CB C 343 33.257 32.384 0.873 1
1 1170 . 9 1 1 A 99 99 LYS N N 343 128.906 122.393 6.513 1
1 4 . 10 1 1 A 2 2 ALA HA H -3 4.167 4.440 -0.273 1
1 8 . 10 1 1 A 2 2 ALA C C -3 177.254 177.099 0.155 1
1 9 . 10 1 1 A 2 2 ALA CA C -3 52.427 52.168 0.259 1
1 10 . 10 1 1 A 2 2 ALA CB C -3 19.740 19.918 -0.178 1
1 11 . 10 1 1 A 3 3 MET H H -2 8.135 8.711 -0.576 1
1 12 . 10 1 1 A 3 3 MET HA H -2 4.351 5.024 -0.673 1
1 20 . 10 1 1 A 3 3 MET C C -2 176.007 174.918 1.089 1
1 21 . 10 1 1 A 3 3 MET CA C -2 55.444 53.561 1.883 1
1 22 . 10 1 1 A 3 3 MET CB C -2 34.277 36.223 -1.946 1
1 25 . 10 1 1 A 3 3 MET N N -2 125.628 114.881 10.747 1
1 43 . 10 1 1 A 6 6 PRO HA H 250 4.591 4.732 -0.141 1
1 50 . 10 1 1 A 6 6 PRO C C 250 175.444 175.848 -0.404 1
1 51 . 10 1 1 A 6 6 PRO CA C 250 61.829 62.451 -0.622 1
1 52 . 10 1 1 A 6 6 PRO CB C 250 32.464 32.803 -0.339 1
1 55 . 10 1 1 A 7 7 ARG H H 251 7.588 8.764 -1.176 1
1 56 . 10 1 1 A 7 7 ARG HA H 251 4.078 4.919 -0.841 1
1 64 . 10 1 1 A 7 7 ARG C C 251 175.065 174.613 0.452 1
1 65 . 10 1 1 A 7 7 ARG CA C 251 54.552 54.902 -0.350 1
1 66 . 10 1 1 A 7 7 ARG CB C 251 33.587 34.242 -0.655 1
1 69 . 10 1 1 A 7 7 ARG N N 251 124.900 120.817 4.083 1
1 71 . 10 1 1 A 8 8 PHE H H 252 8.893 8.925 -0.032 1
1 72 . 10 1 1 A 8 8 PHE HA H 252 4.708 4.535 0.173 1
1 80 . 10 1 1 A 8 8 PHE CA C 252 59.744 56.191 3.553 1
1 81 . 10 1 1 A 8 8 PHE CB C 252 39.263 36.610 2.653 1
1 85 . 10 1 1 A 8 8 PHE N N 252 128.828 123.523 5.305 1
1 86 . 10 1 1 A 9 9 ILE H H 253 8.223 8.504 -0.281 1
1 87 . 10 1 1 A 9 9 ILE HA H 253 4.090 4.046 0.044 1
1 97 . 10 1 1 A 9 9 ILE C C 253 175.698 175.957 -0.259 1
1 98 . 10 1 1 A 9 9 ILE CA C 253 61.230 64.422 -3.192 1
1 99 . 10 1 1 A 9 9 ILE CB C 253 39.165 38.525 0.640 1
1 103 . 10 1 1 A 9 9 ILE N N 253 128.239 125.250 2.989 1
1 104 . 10 1 1 A 10 10 GLN H H 254 7.437 7.874 -0.437 1
1 105 . 10 1 1 A 10 10 GLN HA H 254 4.450 4.841 -0.391 1
1 112 . 10 1 1 A 10 10 GLN C C 254 174.149 173.932 0.217 1
1 113 . 10 1 1 A 10 10 GLN CA C 254 56.197 55.094 1.103 1
1 114 . 10 1 1 A 10 10 GLN CB C 254 32.367 32.084 0.283 1
1 116 . 10 1 1 A 10 10 GLN N N 254 127.323 116.595 10.728 1
1 118 . 10 1 1 A 11 11 VAL H H 255 8.283 8.774 -0.491 1
1 119 . 10 1 1 A 11 11 VAL HA H 255 4.185 4.626 -0.441 1
1 127 . 10 1 1 A 11 11 VAL CA C 255 57.931 57.674 0.257 1
1 128 . 10 1 1 A 11 11 VAL CB C 255 33.230 34.269 -1.039 1
1 131 . 10 1 1 A 11 11 VAL N N 255 126.734 118.211 8.523 1
1 132 . 10 1 1 A 12 12 PRO HA H 256 4.538 4.466 0.072 1
1 139 . 10 1 1 A 12 12 PRO CA C 256 62.209 62.137 0.072 1
1 140 . 10 1 1 A 12 12 PRO CB C 256 31.724 32.150 -0.426 1
1 143 . 10 1 1 A 13 13 GLU H H 257 7.870 8.413 -0.543 1
1 144 . 10 1 1 A 13 13 GLU HA H 257 4.257 4.327 -0.070 1
1 149 . 10 1 1 A 13 13 GLU CA C 257 54.764 55.839 -1.075 1
1 150 . 10 1 1 A 13 13 GLU CB C 257 31.690 30.346 1.344 1
1 152 . 10 1 1 A 13 13 GLU N N 257 124.369 119.445 4.924 1
1 153 . 10 1 1 A 14 14 ASN H H 258 8.133 8.625 -0.492 1
1 154 . 10 1 1 A 14 14 ASN HA H 258 4.639 4.774 -0.135 1
1 159 . 10 1 1 A 14 14 ASN CA C 258 54.285 53.702 0.583 1
1 160 . 10 1 1 A 14 14 ASN CB C 258 38.023 38.764 -0.741 1
1 161 . 10 1 1 A 14 14 ASN N N 258 123.151 118.033 5.118 1
1 163 . 10 1 1 A 15 15 MET H H 259 8.295 9.032 -0.737 1
1 164 . 10 1 1 A 15 15 MET HA H 259 4.695 5.224 -0.529 1
1 172 . 10 1 1 A 15 15 MET C C 259 174.675 174.581 0.094 1
1 173 . 10 1 1 A 15 15 MET CA C 259 55.153 54.000 1.153 1
1 174 . 10 1 1 A 15 15 MET CB C 259 38.064 37.272 0.792 1
1 177 . 10 1 1 A 15 15 MET N N 259 125.442 120.474 4.968 1
1 178 . 10 1 1 A 16 16 SER H H 260 8.332 8.886 -0.554 1
1 179 . 10 1 1 A 16 16 SER HA H 260 5.261 5.380 -0.119 1
1 182 . 10 1 1 A 16 16 SER C C 260 172.889 173.344 -0.455 1
1 183 . 10 1 1 A 16 16 SER CA C 260 56.748 57.635 -0.887 1
1 184 . 10 1 1 A 16 16 SER CB C 260 64.170 65.323 -1.153 1
1 185 . 10 1 1 A 16 16 SER N N 260 125.417 118.706 6.711 1
1 186 . 10 1 1 A 17 17 ILE H H 261 8.394 9.097 -0.703 1
1 187 . 10 1 1 A 17 17 ILE HA H 261 4.366 4.547 -0.181 1
1 197 . 10 1 1 A 17 17 ILE C C 261 173.465 175.243 -1.778 1
1 198 . 10 1 1 A 17 17 ILE CA C 261 57.461 60.210 -2.749 1
1 199 . 10 1 1 A 17 17 ILE CB C 261 41.882 41.179 0.703 1
1 203 . 10 1 1 A 17 17 ILE N N 261 131.680 126.830 4.850 1
1 204 . 10 1 1 A 18 18 ASP H H 262 8.043 8.763 -0.720 1
1 205 . 10 1 1 A 18 18 ASP HA H 262 4.498 4.565 -0.067 1
1 208 . 10 1 1 A 18 18 ASP C C 262 174.970 175.908 -0.938 1
1 209 . 10 1 1 A 18 18 ASP CA C 262 54.962 54.749 0.213 1
1 210 . 10 1 1 A 18 18 ASP CB C 262 41.518 40.788 0.730 1
1 211 . 10 1 1 A 18 18 ASP N N 262 132.455 127.675 4.780 1
1 212 . 10 1 1 A 19 19 GLU H H 263 8.058 8.754 -0.696 1
1 213 . 10 1 1 A 19 19 GLU HA H 263 3.322 3.903 -0.581 1
1 218 . 10 1 1 A 19 19 GLU C C 263 176.656 177.298 -0.642 1
1 219 . 10 1 1 A 19 19 GLU CA C 263 58.351 58.252 0.099 1
1 220 . 10 1 1 A 19 19 GLU CB C 263 29.716 29.319 0.397 1
1 222 . 10 1 1 A 19 19 GLU N N 263 126.424 124.830 1.594 1
1 223 . 10 1 1 A 20 20 GLY H H 264 9.131 9.187 -0.056 1
1 224 . 10 1 1 A 20 20 GLY HA2 H 264 3.366 3.992 -0.626 1
1 225 . 10 1 1 A 20 20 GLY HA3 H 264 4.196 3.995 0.201 1
1 226 . 10 1 1 A 20 20 GLY C C 264 174.582 174.731 -0.149 1
1 227 . 10 1 1 A 20 20 GLY CA C 264 44.837 45.071 -0.234 1
1 228 . 10 1 1 A 20 20 GLY N N 264 119.124 114.923 4.201 1
1 229 . 10 1 1 A 21 21 ARG H H 265 7.192 7.378 -0.186 1
1 230 . 10 1 1 A 21 21 ARG HA H 265 4.377 4.446 -0.069 1
1 238 . 10 1 1 A 21 21 ARG C C 265 174.091 175.803 -1.712 1
1 239 . 10 1 1 A 21 21 ARG CA C 265 55.263 55.854 -0.591 1
1 240 . 10 1 1 A 21 21 ARG CB C 265 31.467 31.721 -0.254 1
1 243 . 10 1 1 A 21 21 ARG N N 265 126.182 120.334 5.848 1
1 245 . 10 1 1 A 22 22 PHE H H 266 7.699 8.795 -1.096 1
1 246 . 10 1 1 A 22 22 PHE HA H 266 4.688 4.942 -0.254 1
1 254 . 10 1 1 A 22 22 PHE C C 266 175.911 175.066 0.845 1
1 255 . 10 1 1 A 22 22 PHE CA C 266 57.132 59.280 -2.148 1
1 256 . 10 1 1 A 22 22 PHE CB C 266 41.270 40.065 1.205 1
1 260 . 10 1 1 A 22 22 PHE N N 266 127.111 122.459 4.652 1
1 261 . 10 1 1 A 23 23 CYS H H 267 8.140 8.313 -0.173 1
1 262 . 10 1 1 A 23 23 CYS HA H 267 4.282 5.004 -0.722 1
1 265 . 10 1 1 A 23 23 CYS C C 267 170.233 172.398 -2.165 1
1 266 . 10 1 1 A 23 23 CYS CA C 267 57.626 57.929 -0.303 1
1 267 . 10 1 1 A 23 23 CYS CB C 267 30.411 32.431 -2.020 1
1 268 . 10 1 1 A 23 23 CYS N N 267 130.194 125.851 4.343 1
1 269 . 10 1 1 A 24 24 ARG H H 268 8.160 8.857 -0.697 1
1 270 . 10 1 1 A 24 24 ARG HA H 268 5.167 5.251 -0.084 1
1 278 . 10 1 1 A 24 24 ARG CA C 268 53.910 54.105 -0.195 1
1 279 . 10 1 1 A 24 24 ARG CB C 268 35.114 34.608 0.506 1
1 283 . 10 1 1 A 25 25 MET H H 269 8.839 8.567 0.272 1
1 284 . 10 1 1 A 25 25 MET HA H 269 4.518 5.228 -0.710 1
1 292 . 10 1 1 A 25 25 MET C C 269 174.090 173.946 0.144 1
1 293 . 10 1 1 A 25 25 MET CA C 269 54.960 53.682 1.278 1
1 294 . 10 1 1 A 25 25 MET CB C 269 35.645 37.623 -1.978 1
1 297 . 10 1 1 A 25 25 MET N N 269 127.757 118.924 8.833 1
1 298 . 10 1 1 A 26 26 ASP H H 270 8.473 8.811 -0.338 1
1 299 . 10 1 1 A 26 26 ASP HA H 270 5.772 5.462 0.310 1
1 302 . 10 1 1 A 26 26 ASP CA C 270 53.157 52.968 0.189 1
1 303 . 10 1 1 A 26 26 ASP CB C 270 43.595 43.465 0.130 1
1 304 . 10 1 1 A 26 26 ASP N N 270 129.880 119.824 10.056 1
1 305 . 10 1 1 A 27 27 PHE H H 271 9.180 9.385 -0.205 1
1 306 . 10 1 1 A 27 27 PHE HA H 271 5.014 5.059 -0.045 1
1 314 . 10 1 1 A 27 27 PHE CA C 271 55.904 56.268 -0.364 1
1 317 . 10 1 1 A 27 27 PHE N N 271 123.116 122.958 0.158 1
1 318 . 10 1 1 A 28 28 LYS H H 272 9.221 8.807 0.414 1
1 327 . 10 1 1 A 28 28 LYS CA C 272 59.294 56.386 2.908 1
1 328 . 10 1 1 A 28 28 LYS CB C 272 38.090 33.030 5.060 1
1 332 . 10 1 1 A 28 28 LYS N N 272 131.321 125.875 5.446 1
1 333 . 10 1 1 A 29 29 VAL H H 273 8.304 8.578 -0.274 1
1 334 . 10 1 1 A 29 29 VAL HA H 273 4.331 5.051 -0.720 1
1 342 . 10 1 1 A 29 29 VAL C C 273 175.240 175.072 0.168 1
1 343 . 10 1 1 A 29 29 VAL CA C 273 61.020 60.696 0.324 1
1 344 . 10 1 1 A 29 29 VAL CB C 273 33.889 34.842 -0.953 1
1 347 . 10 1 1 A 30 30 SER H H 274 8.545 8.945 -0.400 1
1 348 . 10 1 1 A 30 30 SER HA H 274 4.647 4.831 -0.184 1
1 351 . 10 1 1 A 30 30 SER C C 274 172.993 172.922 0.071 1
1 352 . 10 1 1 A 30 30 SER CA C 274 56.505 56.555 -0.050 1
1 353 . 10 1 1 A 30 30 SER CB C 274 65.805 65.053 0.752 1
1 354 . 10 1 1 A 30 30 SER N N 274 129.796 120.581 9.215 1
1 355 . 10 1 1 A 31 31 GLY H H 275 7.712 8.531 -0.819 1
1 356 . 10 1 1 A 31 31 GLY HA2 H 275 3.220 4.174 -0.954 1
1 357 . 10 1 1 A 31 31 GLY HA3 H 275 3.649 4.180 -0.531 1
1 358 . 10 1 1 A 31 31 GLY C C 275 170.984 171.583 -0.599 1
1 359 . 10 1 1 A 31 31 GLY CA C 275 45.099 44.121 0.978 1
1 360 . 10 1 1 A 31 31 GLY N N 275 115.009 110.838 4.171 1
1 361 . 10 1 1 A 32 32 LEU H H 276 7.668 8.131 -0.463 1
1 362 . 10 1 1 A 32 32 LEU HA H 276 4.301 4.884 -0.583 1
1 372 . 10 1 1 A 32 32 LEU C C 276 173.812 174.816 -1.004 1
1 373 . 10 1 1 A 32 32 LEU CA C 276 52.370 51.230 1.140 1
1 374 . 10 1 1 A 32 32 LEU CB C 276 45.554 45.649 -0.095 1
1 378 . 10 1 1 A 32 32 LEU N N 276 129.727 121.521 8.206 1
1 379 . 10 1 1 A 33 33 PRO HA H 277 4.416 4.589 -0.173 1
1 386 . 10 1 1 A 33 33 PRO CA C 277 62.576 62.392 0.184 1
1 387 . 10 1 1 A 33 33 PRO CB C 277 35.012 32.453 2.559 1
1 390 . 10 1 1 A 34 34 ALA H H 278 8.598 8.336 0.262 1
1 391 . 10 1 1 A 34 34 ALA HA H 278 4.153 4.330 -0.177 1
1 395 . 10 1 1 A 34 34 ALA CA C 278 50.822 50.653 0.169 1
1 396 . 10 1 1 A 34 34 ALA CB C 278 17.462 18.569 -1.107 1
1 397 . 10 1 1 A 34 34 ALA N N 278 131.518 124.385 7.133 1
1 398 . 10 1 1 A 35 35 PRO HA H 279 4.206 4.478 -0.272 1
1 405 . 10 1 1 A 35 35 PRO C C 279 175.701 175.963 -0.262 1
1 406 . 10 1 1 A 35 35 PRO CA C 279 62.628 62.501 0.127 1
1 407 . 10 1 1 A 35 35 PRO CB C 279 33.069 32.030 1.039 1
1 410 . 10 1 1 A 36 36 ASP H H 280 8.621 8.437 0.184 1
1 411 . 10 1 1 A 36 36 ASP HA H 280 4.659 4.736 -0.077 1
1 414 . 10 1 1 A 36 36 ASP C C 280 176.057 175.389 0.668 1
1 415 . 10 1 1 A 36 36 ASP CA C 280 54.307 53.817 0.490 1
1 416 . 10 1 1 A 36 36 ASP CB C 280 42.741 41.841 0.900 1
1 417 . 10 1 1 A 36 36 ASP N N 280 127.555 121.839 5.716 1
1 418 . 10 1 1 A 37 37 VAL H H 281 8.635 8.526 0.109 1
1 419 . 10 1 1 A 37 37 VAL HA H 281 4.938 4.966 -0.028 1
1 427 . 10 1 1 A 37 37 VAL CA C 281 61.135 60.230 0.905 1
1 428 . 10 1 1 A 37 37 VAL CB C 281 34.579 35.305 -0.726 1
1 431 . 10 1 1 A 38 38 SER H H 282 8.591 9.050 -0.459 1
1 432 . 10 1 1 A 38 38 SER HA H 282 4.518 5.210 -0.692 1
1 435 . 10 1 1 A 38 38 SER CA C 282 57.540 57.345 0.195 1
1 436 . 10 1 1 A 38 38 SER CB C 282 66.530 65.441 1.089 1
1 437 . 10 1 1 A 38 38 SER N N 282 128.264 123.821 4.443 1
1 438 . 10 1 1 A 39 39 TRP H H 283 8.426 8.866 -0.440 1
1 439 . 10 1 1 A 39 39 TRP HA H 283 5.297 5.274 0.023 1
1 448 . 10 1 1 A 39 39 TRP CA C 283 56.298 56.885 -0.587 1
1 449 . 10 1 1 A 39 39 TRP CB C 283 33.153 31.320 1.833 1
1 455 . 10 1 1 A 39 39 TRP N N 283 127.698 127.776 -0.078 1
1 456 . 10 1 1 A 40 40 TYR H H 284 9.373 9.307 0.066 1
1 457 . 10 1 1 A 40 40 TYR HA H 284 4.903 5.365 -0.462 1
1 464 . 10 1 1 A 40 40 TYR C C 284 174.148 174.573 -0.425 1
1 465 . 10 1 1 A 40 40 TYR CA C 284 56.849 56.280 0.569 1
1 466 . 10 1 1 A 40 40 TYR CB C 284 42.754 43.440 -0.686 1
1 469 . 10 1 1 A 40 40 TYR N N 284 125.437 119.720 5.717 1
1 470 . 10 1 1 A 41 41 LEU H H 285 8.898 9.171 -0.273 1
1 471 . 10 1 1 A 41 41 LEU HA H 285 4.255 4.557 -0.302 1
1 481 . 10 1 1 A 41 41 LEU C C 285 176.606 175.473 1.133 1
1 482 . 10 1 1 A 41 41 LEU CA C 285 53.659 53.947 -0.288 1
1 483 . 10 1 1 A 41 41 LEU CB C 285 43.740 44.702 -0.962 1
1 487 . 10 1 1 A 41 41 LEU N N 285 129.512 122.606 6.906 1
1 488 . 10 1 1 A 42 42 ASN H H 286 9.454 9.471 -0.017 1
1 489 . 10 1 1 A 42 42 ASN HA H 286 4.221 4.422 -0.201 1
1 494 . 10 1 1 A 42 42 ASN C C 286 175.692 175.289 0.403 1
1 495 . 10 1 1 A 42 42 ASN CA C 286 54.239 54.375 -0.136 1
1 496 . 10 1 1 A 42 42 ASN CB C 286 37.331 36.961 0.370 1
1 497 . 10 1 1 A 42 42 ASN N N 286 134.097 126.392 7.705 1
1 499 . 10 1 1 A 43 43 GLY H H 287 8.709 8.339 0.370 1
1 500 . 10 1 1 A 43 43 GLY HA2 H 287 3.356 4.001 -0.645 1
1 501 . 10 1 1 A 43 43 GLY HA3 H 287 3.995 4.006 -0.011 1
1 502 . 10 1 1 A 43 43 GLY C C 287 173.786 174.724 -0.938 1
1 503 . 10 1 1 A 43 43 GLY CA C 287 45.450 45.105 0.345 1
1 504 . 10 1 1 A 43 43 GLY N N 287 108.807 105.062 3.745 1
1 505 . 10 1 1 A 44 44 ARG H H 288 7.902 7.602 0.300 1
1 506 . 10 1 1 A 44 44 ARG HA H 288 4.697 4.548 0.149 1
1 514 . 10 1 1 A 44 44 ARG C C 288 175.799 176.340 -0.541 1
1 515 . 10 1 1 A 44 44 ARG CA C 288 54.658 55.475 -0.817 1
1 516 . 10 1 1 A 44 44 ARG CB C 288 32.436 31.441 0.995 1
1 519 . 10 1 1 A 44 44 ARG N N 288 127.837 120.298 7.539 1
1 521 . 10 1 1 A 45 45 THR H H 289 8.539 8.596 -0.057 1
1 522 . 10 1 1 A 45 45 THR HA H 289 3.763 4.163 -0.400 1
1 527 . 10 1 1 A 45 45 THR C C 289 174.692 174.314 0.378 1
1 528 . 10 1 1 A 45 45 THR CA C 289 63.977 61.690 2.287 1
1 529 . 10 1 1 A 45 45 THR CB C 289 69.706 69.893 -0.187 1
1 531 . 10 1 1 A 45 45 THR N N 289 126.100 113.859 12.241 1
1 532 . 10 1 1 A 46 46 VAL H H 290 8.033 8.412 -0.379 1
1 533 . 10 1 1 A 46 46 VAL HA H 290 3.647 4.787 -1.140 1
1 541 . 10 1 1 A 46 46 VAL C C 290 174.672 174.679 -0.007 1
1 542 . 10 1 1 A 46 46 VAL CA C 290 62.458 60.496 1.962 1
1 543 . 10 1 1 A 46 46 VAL CB C 290 32.500 35.688 -3.188 1
1 546 . 10 1 1 A 46 46 VAL N N 290 134.795 121.412 13.383 1
1 547 . 10 1 1 A 47 47 GLN H H 291 8.124 8.751 -0.627 1
1 548 . 10 1 1 A 47 47 GLN HA H 291 4.281 4.873 -0.592 1
1 555 . 10 1 1 A 47 47 GLN C C 291 175.398 175.302 0.096 1
1 556 . 10 1 1 A 47 47 GLN CA C 291 54.235 53.984 0.251 1
1 557 . 10 1 1 A 47 47 GLN CB C 291 30.283 32.367 -2.084 1
1 559 . 10 1 1 A 47 47 GLN N N 291 132.792 126.498 6.294 1
1 561 . 10 1 1 A 48 48 SER H H 292 8.280 8.593 -0.313 1
1 562 . 10 1 1 A 48 48 SER HA H 292 4.308 4.466 -0.158 1
1 565 . 10 1 1 A 48 48 SER C C 292 174.304 173.519 0.785 1
1 566 . 10 1 1 A 48 48 SER CA C 292 58.222 58.371 -0.149 1
1 567 . 10 1 1 A 48 48 SER CB C 292 63.719 64.071 -0.352 1
1 568 . 10 1 1 A 48 48 SER N N 292 123.481 116.071 7.410 1
1 569 . 10 1 1 A 49 49 ASP H H 293 9.050 8.681 0.369 1
1 570 . 10 1 1 A 49 49 ASP HA H 293 4.482 5.047 -0.565 1
1 573 . 10 1 1 A 49 49 ASP C C 293 176.099 175.643 0.456 1
1 574 . 10 1 1 A 49 49 ASP CA C 293 53.668 53.000 0.668 1
1 575 . 10 1 1 A 49 49 ASP CB C 293 40.100 44.236 -4.136 1
1 576 . 10 1 1 A 49 49 ASP N N 293 131.157 121.678 9.479 1
1 577 . 10 1 1 A 50 50 ASP H H 294 8.324 8.899 -0.575 1
1 578 . 10 1 1 A 50 50 ASP HA H 294 4.167 4.242 -0.075 1
1 581 . 10 1 1 A 50 50 ASP C C 294 176.520 177.577 -1.057 1
1 582 . 10 1 1 A 50 50 ASP CA C 294 57.367 57.513 -0.146 1
1 583 . 10 1 1 A 50 50 ASP CB C 294 40.226 40.490 -0.264 1
1 584 . 10 1 1 A 50 50 ASP N N 294 122.206 124.822 -2.616 1
1 585 . 10 1 1 A 51 51 LEU H H 295 7.749 7.757 -0.008 1
1 586 . 10 1 1 A 51 51 LEU HA H 295 4.281 4.178 0.103 1
1 596 . 10 1 1 A 51 51 LEU C C 295 175.716 176.488 -0.772 1
1 597 . 10 1 1 A 51 51 LEU CA C 295 54.407 55.256 -0.849 1
1 598 . 10 1 1 A 51 51 LEU CB C 295 43.849 42.167 1.682 1
1 602 . 10 1 1 A 51 51 LEU N N 295 121.836 117.897 3.939 1
1 603 . 10 1 1 A 52 52 HIS H H 296 7.548 7.500 0.048 1
1 604 . 10 1 1 A 52 52 HIS HA H 296 5.091 4.818 0.273 1
1 609 . 10 1 1 A 52 52 HIS C C 296 172.683 173.894 -1.211 1
1 610 . 10 1 1 A 52 52 HIS CA C 296 54.900 53.782 1.118 1
1 611 . 10 1 1 A 52 52 HIS CB C 296 28.894 29.256 -0.362 1
1 614 . 10 1 1 A 52 52 HIS N N 296 126.326 115.967 10.359 1
1 615 . 10 1 1 A 53 53 LYS H H 297 8.515 8.547 -0.032 1
1 616 . 10 1 1 A 53 53 LYS HA H 297 4.608 4.229 0.379 1
1 625 . 10 1 1 A 53 53 LYS C C 297 174.797 175.593 -0.796 1
1 626 . 10 1 1 A 53 53 LYS CA C 297 54.303 56.892 -2.589 1
1 627 . 10 1 1 A 53 53 LYS CB C 297 35.705 33.154 2.551 1
1 631 . 10 1 1 A 53 53 LYS N N 297 127.067 122.622 4.445 1
1 632 . 10 1 1 A 54 54 MET H H 298 8.379 8.892 -0.513 1
1 633 . 10 1 1 A 54 54 MET HA H 298 5.091 5.153 -0.062 1
1 641 . 10 1 1 A 54 54 MET CA C 298 55.427 54.639 0.788 1
1 642 . 10 1 1 A 54 54 MET CB C 298 34.100 35.233 -1.133 1
1 645 . 10 1 1 A 54 54 MET N N 298 128.992 120.811 8.181 1
1 646 . 10 1 1 A 55 55 ILE H H 299 8.279 8.715 -0.436 1
1 647 . 10 1 1 A 55 55 ILE HA H 299 4.602 5.276 -0.674 1
1 657 . 10 1 1 A 55 55 ILE CA C 299 59.130 59.156 -0.026 1
1 658 . 10 1 1 A 55 55 ILE CB C 299 42.747 42.406 0.341 1
1 662 . 10 1 1 A 56 56 VAL H H 300 9.227 8.908 0.319 1
1 663 . 10 1 1 A 56 56 VAL HA H 300 4.912 5.127 -0.215 1
1 671 . 10 1 1 A 56 56 VAL CA C 300 59.226 59.741 -0.515 1
1 672 . 10 1 1 A 56 56 VAL CB C 300 36.406 35.600 0.806 1
1 675 . 10 1 1 A 57 57 SER H H 301 8.794 8.916 -0.122 1
1 676 . 10 1 1 A 57 57 SER HA H 301 4.575 4.589 -0.014 1
1 679 . 10 1 1 A 57 57 SER CA C 301 56.558 58.657 -2.099 1
1 680 . 10 1 1 A 57 57 SER CB C 301 65.617 63.560 2.057 1
1 681 . 10 1 1 A 57 57 SER N N 301 128.893 121.830 7.063 1
1 682 . 10 1 1 A 58 58 GLU HA H 302 4.013 4.041 -0.028 1
1 687 . 10 1 1 A 58 58 GLU CA C 302 58.165 59.677 -1.512 1
1 688 . 10 1 1 A 58 58 GLU CB C 302 29.508 29.401 0.107 1
1 690 . 10 1 1 A 59 59 LYS HA H 303 4.114 4.339 -0.225 1
1 699 . 10 1 1 A 59 59 LYS C C 303 176.755 176.870 -0.115 1
1 700 . 10 1 1 A 59 59 LYS CA C 303 55.913 55.898 0.015 1
1 701 . 10 1 1 A 59 59 LYS CB C 303 31.679 32.919 -1.240 1
1 705 . 10 1 1 A 60 60 GLY H H 304 7.813 8.030 -0.217 1
1 706 . 10 1 1 A 60 60 GLY HA2 H 304 4.037 3.976 0.061 1
1 707 . 10 1 1 A 60 60 GLY HA3 H 304 3.411 3.981 -0.570 1
1 708 . 10 1 1 A 60 60 GLY C C 304 173.480 174.237 -0.757 1
1 709 . 10 1 1 A 60 60 GLY CA C 304 45.955 45.318 0.637 1
1 710 . 10 1 1 A 60 60 GLY N N 304 113.597 107.546 6.051 1
1 711 . 10 1 1 A 61 61 LEU H H 305 7.253 7.902 -0.649 1
1 712 . 10 1 1 A 61 61 LEU HA H 305 4.396 4.470 -0.074 1
1 722 . 10 1 1 A 61 61 LEU CA C 305 54.825 55.033 -0.208 1
1 723 . 10 1 1 A 61 61 LEU CB C 305 43.099 42.285 0.814 1
1 727 . 10 1 1 A 61 61 LEU N N 305 128.081 123.306 4.775 1
1 728 . 10 1 1 A 62 62 HIS H H 306 8.294 9.179 -0.885 1
1 733 . 10 1 1 A 62 62 HIS N N 306 130.344 127.575 2.769 1
1 734 . 10 1 1 A 63 63 SER HA H 307 5.980 5.057 0.923 1
1 737 . 10 1 1 A 63 63 SER CA C 307 57.517 57.962 -0.445 1
1 738 . 10 1 1 A 63 63 SER CB C 307 66.760 64.576 2.184 1
1 739 . 10 1 1 A 64 64 LEU H H 308 8.827 8.717 0.110 1
1 740 . 10 1 1 A 64 64 LEU HA H 308 4.657 4.756 -0.099 1
1 750 . 10 1 1 A 64 64 LEU C C 308 174.337 174.422 -0.085 1
1 751 . 10 1 1 A 64 64 LEU CA C 308 54.386 53.165 1.221 1
1 752 . 10 1 1 A 64 64 LEU CB C 308 42.678 44.713 -2.035 1
1 756 . 10 1 1 A 65 65 ILE H H 309 9.009 8.439 0.570 1
1 757 . 10 1 1 A 65 65 ILE HA H 309 3.880 4.728 -0.848 1
1 767 . 10 1 1 A 65 65 ILE C C 309 173.963 174.551 -0.588 1
1 768 . 10 1 1 A 65 65 ILE CA C 309 60.296 59.388 0.908 1
1 769 . 10 1 1 A 65 65 ILE CB C 309 40.727 41.349 -0.622 1
1 773 . 10 1 1 A 65 65 ILE N N 309 133.046 127.085 5.961 1
1 774 . 10 1 1 A 66 66 PHE H H 310 8.508 8.781 -0.273 1
1 775 . 10 1 1 A 66 66 PHE HA H 310 4.367 4.912 -0.545 1
1 783 . 10 1 1 A 66 66 PHE C C 310 174.555 175.594 -1.039 1
1 784 . 10 1 1 A 66 66 PHE CA C 310 54.878 56.046 -1.168 1
1 785 . 10 1 1 A 66 66 PHE CB C 310 38.819 40.561 -1.742 1
1 789 . 10 1 1 A 66 66 PHE N N 310 132.294 124.096 8.198 1
1 790 . 10 1 1 A 67 67 GLU H H 311 7.879 8.840 -0.961 1
1 791 . 10 1 1 A 67 67 GLU HA H 311 4.025 4.456 -0.431 1
1 796 . 10 1 1 A 67 67 GLU C C 311 177.819 177.205 0.614 1
1 797 . 10 1 1 A 67 67 GLU CA C 311 59.266 59.183 0.083 1
1 798 . 10 1 1 A 67 67 GLU CB C 311 30.421 30.568 -0.147 1
1 800 . 10 1 1 A 67 67 GLU N N 311 127.092 123.833 3.259 1
1 801 . 10 1 1 A 68 68 VAL H H 312 7.428 7.587 -0.159 1
1 802 . 10 1 1 A 68 68 VAL HA H 312 3.402 4.486 -1.084 1
1 810 . 10 1 1 A 68 68 VAL C C 312 173.921 174.138 -0.217 1
1 811 . 10 1 1 A 68 68 VAL CA C 312 61.444 61.118 0.326 1
1 812 . 10 1 1 A 68 68 VAL CB C 312 34.790 32.846 1.944 1
1 815 . 10 1 1 A 68 68 VAL N N 312 120.315 116.699 3.616 1
1 816 . 10 1 1 A 69 69 VAL H H 313 8.233 8.624 -0.391 1
1 817 . 10 1 1 A 69 69 VAL HA H 313 3.829 4.262 -0.433 1
1 825 . 10 1 1 A 69 69 VAL C C 313 175.123 175.167 -0.044 1
1 826 . 10 1 1 A 69 69 VAL CA C 313 63.200 62.482 0.718 1
1 827 . 10 1 1 A 69 69 VAL CB C 313 32.836 32.553 0.283 1
1 830 . 10 1 1 A 69 69 VAL N N 313 132.928 128.894 4.034 1
1 831 . 10 1 1 A 70 70 ARG H H 314 9.259 8.819 0.440 1
1 832 . 10 1 1 A 70 70 ARG HA H 314 4.776 4.714 0.062 1
1 839 . 10 1 1 A 70 70 ARG C C 314 177.491 176.561 0.930 1
1 840 . 10 1 1 A 70 70 ARG CA C 314 53.728 53.785 -0.057 1
1 841 . 10 1 1 A 70 70 ARG CB C 314 34.282 33.149 1.133 1
1 844 . 10 1 1 A 70 70 ARG N N 314 133.209 127.471 5.738 1
1 845 . 10 1 1 A 71 71 ALA H H 315 9.059 9.076 -0.017 1
1 846 . 10 1 1 A 71 71 ALA HA H 315 3.676 4.026 -0.350 1
1 850 . 10 1 1 A 71 71 ALA C C 315 180.122 179.692 0.430 1
1 851 . 10 1 1 A 71 71 ALA CA C 315 56.356 55.278 1.078 1
1 852 . 10 1 1 A 71 71 ALA CB C 315 17.923 18.348 -0.425 1
1 853 . 10 1 1 A 71 71 ALA N N 315 131.839 124.388 7.451 1
1 854 . 10 1 1 A 72 72 SER H H 316 7.735 8.004 -0.269 1
1 855 . 10 1 1 A 72 72 SER HA H 316 4.046 4.233 -0.187 1
1 858 . 10 1 1 A 72 72 SER C C 316 175.495 174.555 0.940 1
1 859 . 10 1 1 A 72 72 SER CA C 316 60.037 61.294 -1.257 1
1 860 . 10 1 1 A 72 72 SER CB C 316 62.381 63.164 -0.783 1
1 861 . 10 1 1 A 72 72 SER N N 316 115.841 113.583 2.258 1
1 862 . 10 1 1 A 73 73 ASP H H 317 8.175 7.959 0.216 1
1 863 . 10 1 1 A 73 73 ASP HA H 317 4.644 4.740 -0.096 1
1 866 . 10 1 1 A 73 73 ASP C C 317 176.176 176.147 0.029 1
1 867 . 10 1 1 A 73 73 ASP CA C 317 55.305 54.824 0.481 1
1 868 . 10 1 1 A 73 73 ASP CB C 317 42.572 41.375 1.197 1
1 869 . 10 1 1 A 73 73 ASP N N 317 126.327 118.951 7.376 1
1 870 . 10 1 1 A 74 74 ALA H H 318 7.339 6.950 0.389 1
1 871 . 10 1 1 A 74 74 ALA HA H 318 4.013 4.305 -0.292 1
1 875 . 10 1 1 A 74 74 ALA C C 318 176.813 177.270 -0.457 1
1 876 . 10 1 1 A 74 74 ALA CA C 318 53.570 53.098 0.472 1
1 877 . 10 1 1 A 74 74 ALA CB C 318 20.548 20.032 0.516 1
1 878 . 10 1 1 A 74 74 ALA N N 318 127.859 121.878 5.981 1
1 879 . 10 1 1 A 75 75 GLY H H 319 8.797 8.809 -0.012 1
1 880 . 10 1 1 A 75 75 GLY HA2 H 319 3.599 4.103 -0.504 1
1 881 . 10 1 1 A 75 75 GLY HA3 H 319 4.239 4.163 0.076 1
1 882 . 10 1 1 A 75 75 GLY C C 319 170.102 172.059 -1.957 1
1 883 . 10 1 1 A 75 75 GLY CA C 319 45.105 44.446 0.659 1
1 884 . 10 1 1 A 75 75 GLY N N 319 114.261 107.396 6.865 1
1 885 . 10 1 1 A 76 76 ALA H H 320 7.621 8.063 -0.442 1
1 886 . 10 1 1 A 76 76 ALA HA H 320 4.521 4.721 -0.200 1
1 890 . 10 1 1 A 76 76 ALA C C 320 176.291 176.499 -0.208 1
1 891 . 10 1 1 A 76 76 ALA CA C 320 51.158 51.649 -0.491 1
1 892 . 10 1 1 A 76 76 ALA CB C 320 19.242 19.322 -0.080 1
1 893 . 10 1 1 A 76 76 ALA N N 320 129.042 122.953 6.089 1
1 894 . 10 1 1 A 77 77 TYR H H 321 9.406 9.069 0.337 1
1 895 . 10 1 1 A 77 77 TYR HA H 321 5.237 5.216 0.021 1
1 903 . 10 1 1 A 77 77 TYR C C 321 175.676 176.005 -0.329 1
1 904 . 10 1 1 A 77 77 TYR CA C 321 57.779 58.009 -0.230 1
1 905 . 10 1 1 A 77 77 TYR CB C 321 40.623 40.052 0.571 1
1 908 . 10 1 1 A 77 77 TYR N N 321 132.635 124.134 8.501 1
1 909 . 10 1 1 A 78 78 ALA H H 322 9.084 9.004 0.080 1
1 910 . 10 1 1 A 78 78 ALA HA H 322 5.031 5.392 -0.361 1
1 914 . 10 1 1 A 78 78 ALA CA C 322 50.120 51.166 -1.046 1
1 915 . 10 1 1 A 78 78 ALA CB C 322 21.653 24.099 -2.446 1
1 916 . 10 1 1 A 78 78 ALA N N 322 130.291 122.890 7.401 1
1 917 . 10 1 1 A 79 79 CYS H H 323 7.932 8.863 -0.931 1
1 918 . 10 1 1 A 79 79 CYS HA H 323 4.037 4.427 -0.390 1
1 919 . 10 1 1 A 79 79 CYS C C 323 173.727 172.973 0.754 1
1 920 . 10 1 1 A 79 79 CYS CA C 323 56.345 57.067 -0.722 1
1 921 . 10 1 1 A 80 80 VAL H H 324 8.671 9.121 -0.450 1
1 922 . 10 1 1 A 80 80 VAL HA H 324 4.596 4.556 0.040 1
1 930 . 10 1 1 A 80 80 VAL C C 324 174.904 175.273 -0.369 1
1 931 . 10 1 1 A 80 80 VAL CA C 324 60.907 61.613 -0.706 1
1 932 . 10 1 1 A 80 80 VAL CB C 324 34.334 32.471 1.863 1
1 934 . 10 1 1 A 80 80 VAL N N 324 135.079 127.040 8.039 1
1 935 . 10 1 1 A 81 81 ALA H H 325 9.107 9.052 0.055 1
1 936 . 10 1 1 A 81 81 ALA HA H 325 5.220 5.361 -0.141 1
1 940 . 10 1 1 A 81 81 ALA C C 325 175.446 175.848 -0.402 1
1 941 . 10 1 1 A 81 81 ALA CA C 325 49.197 50.278 -1.081 1
1 942 . 10 1 1 A 81 81 ALA CB C 325 22.479 21.854 0.625 1
1 943 . 10 1 1 A 81 81 ALA N N 325 136.369 129.259 7.110 1
1 944 . 10 1 1 A 82 82 LYS H H 326 8.734 8.963 -0.229 1
1 945 . 10 1 1 A 82 82 LYS HA H 326 5.021 5.234 -0.213 1
1 954 . 10 1 1 A 82 82 LYS C C 326 175.054 175.342 -0.288 1
1 955 . 10 1 1 A 82 82 LYS CA C 326 55.451 54.700 0.751 1
1 956 . 10 1 1 A 82 82 LYS CB C 326 37.852 36.138 1.714 1
1 960 . 10 1 1 A 82 82 LYS N N 326 128.038 122.276 5.762 1
1 961 . 10 1 1 A 83 83 ASN H H 327 8.949 8.701 0.248 1
1 962 . 10 1 1 A 83 83 ASN HA H 327 4.624 5.114 -0.490 1
1 967 . 10 1 1 A 83 83 ASN C C 327 176.409 175.651 0.758 1
1 968 . 10 1 1 A 83 83 ASN CA C 327 51.838 51.280 0.558 1
1 969 . 10 1 1 A 83 83 ASN CB C 327 40.927 39.909 1.018 1
1 970 . 10 1 1 A 83 83 ASN N N 327 128.769 121.725 7.044 1
1 972 . 10 1 1 A 84 84 ARG H H 328 8.203 9.115 -0.912 1
1 973 . 10 1 1 A 84 84 ARG HA H 328 3.917 4.084 -0.167 1
1 981 . 10 1 1 A 84 84 ARG C C 328 175.820 175.983 -0.163 1
1 982 . 10 1 1 A 84 84 ARG CA C 328 58.250 58.066 0.184 1
1 983 . 10 1 1 A 84 84 ARG CB C 328 29.985 29.650 0.335 1
1 986 . 10 1 1 A 84 84 ARG N N 328 121.021 117.826 3.195 1
1 988 . 10 1 1 A 85 85 ALA H H 329 7.599 8.061 -0.462 1
1 989 . 10 1 1 A 85 85 ALA HA H 329 4.279 4.470 -0.191 1
1 993 . 10 1 1 A 85 85 ALA C C 329 177.261 176.881 0.380 1
1 994 . 10 1 1 A 85 85 ALA CA C 329 51.905 51.675 0.230 1
1 995 . 10 1 1 A 85 85 ALA CB C 329 19.637 20.576 -0.939 1
1 996 . 10 1 1 A 85 85 ALA N N 329 125.074 121.397 3.677 1
1 997 . 10 1 1 A 86 86 GLY H H 330 7.624 7.109 0.515 1
1 998 . 10 1 1 A 86 86 GLY HA2 H 330 3.806 4.074 -0.268 1
1 999 . 10 1 1 A 86 86 GLY HA3 H 330 4.164 4.077 0.087 1
1 1000 . 10 1 1 A 86 86 GLY C C 330 169.646 170.884 -1.238 1
1 1001 . 10 1 1 A 86 86 GLY CA C 330 46.012 45.859 0.153 1
1 1002 . 10 1 1 A 86 86 GLY N N 330 112.891 103.714 9.177 1
1 1003 . 10 1 1 A 87 87 GLU H H 331 8.213 8.491 -0.278 1
1 1004 . 10 1 1 A 87 87 GLU HA H 331 5.274 5.305 -0.031 1
1 1009 . 10 1 1 A 87 87 GLU C C 331 174.418 174.681 -0.263 1
1 1010 . 10 1 1 A 87 87 GLU CA C 331 54.349 54.888 -0.539 1
1 1011 . 10 1 1 A 87 87 GLU CB C 331 34.615 33.596 1.019 1
1 1013 . 10 1 1 A 87 87 GLU N N 331 123.208 120.234 2.974 1
1 1014 . 10 1 1 A 88 88 ALA H H 332 8.897 8.817 0.080 1
1 1015 . 10 1 1 A 88 88 ALA HA H 332 4.569 4.606 -0.037 1
1 1019 . 10 1 1 A 88 88 ALA C C 332 175.121 174.915 0.206 1
1 1020 . 10 1 1 A 88 88 ALA CA C 332 51.592 50.098 1.494 1
1 1021 . 10 1 1 A 88 88 ALA CB C 332 23.324 23.325 -0.001 1
1 1022 . 10 1 1 A 88 88 ALA N N 332 131.757 126.125 5.632 1
1 1023 . 10 1 1 A 89 89 THR H H 333 8.521 7.416 1.105 1
1 1024 . 10 1 1 A 89 89 THR HA H 333 5.661 4.960 0.701 1
1 1029 . 10 1 1 A 89 89 THR C C 333 173.827 173.307 0.520 1
1 1030 . 10 1 1 A 89 89 THR CA C 333 60.601 60.756 -0.155 1
1 1031 . 10 1 1 A 89 89 THR CB C 333 72.140 72.189 -0.049 1
1 1033 . 10 1 1 A 89 89 THR N N 333 121.100 113.859 7.241 1
1 1034 . 10 1 1 A 90 90 PHE H H 334 8.603 8.959 -0.356 1
1 1035 . 10 1 1 A 90 90 PHE HA H 334 4.624 5.380 -0.756 1
1 1043 . 10 1 1 A 90 90 PHE CA C 334 56.618 56.020 0.598 1
1 1044 . 10 1 1 A 90 90 PHE CB C 334 42.489 44.010 -1.521 1
1 1048 . 10 1 1 A 91 91 THR H H 335 8.174 8.931 -0.757 1
1 1049 . 10 1 1 A 91 91 THR HA H 335 5.445 5.224 0.221 1
1 1054 . 10 1 1 A 91 91 THR CA C 335 60.110 61.527 -1.417 1
1 1055 . 10 1 1 A 91 91 THR CB C 335 71.671 72.285 -0.614 1
1 1057 . 10 1 1 A 92 92 VAL H H 336 9.158 8.939 0.219 1
1 1058 . 10 1 1 A 92 92 VAL HA H 336 4.432 4.971 -0.539 1
1 1066 . 10 1 1 A 92 92 VAL C C 336 171.594 173.036 -1.442 1
1 1067 . 10 1 1 A 92 92 VAL CA C 336 60.914 60.132 0.782 1
1 1068 . 10 1 1 A 92 92 VAL CB C 336 35.760 35.895 -0.135 1
1 1071 . 10 1 1 A 92 92 VAL N N 336 130.220 122.103 8.117 1
1 1072 . 10 1 1 A 93 93 GLN H H 337 8.302 8.812 -0.510 1
1 1073 . 10 1 1 A 93 93 GLN HA H 337 4.756 5.302 -0.546 1
1 1080 . 10 1 1 A 93 93 GLN C C 337 174.009 173.681 0.328 1
1 1081 . 10 1 1 A 93 93 GLN CA C 337 54.672 54.116 0.556 1
1 1082 . 10 1 1 A 93 93 GLN CB C 337 30.071 32.488 -2.417 1
1 1084 . 10 1 1 A 93 93 GLN N N 337 133.412 126.545 6.867 1
1 1086 . 10 1 1 A 94 94 LEU H H 338 8.812 9.271 -0.459 1
1 1087 . 10 1 1 A 94 94 LEU HA H 338 4.836 5.000 -0.164 1
1 1097 . 10 1 1 A 94 94 LEU C C 338 175.099 174.852 0.247 1
1 1098 . 10 1 1 A 94 94 LEU CA C 338 53.725 53.609 0.116 1
1 1099 . 10 1 1 A 94 94 LEU CB C 338 44.955 44.594 0.361 1
1 1103 . 10 1 1 A 94 94 LEU N N 338 133.816 128.618 5.198 1
1 1104 . 10 1 1 A 95 95 ASP H H 339 8.747 9.138 -0.391 1
1 1105 . 10 1 1 A 95 95 ASP HA H 339 4.871 4.864 0.007 1
1 1108 . 10 1 1 A 95 95 ASP C C 339 174.295 175.012 -0.717 1
1 1109 . 10 1 1 A 95 95 ASP CA C 339 53.311 54.544 -1.233 1
1 1110 . 10 1 1 A 95 95 ASP CB C 339 42.895 42.222 0.673 1
1 1111 . 10 1 1 A 95 95 ASP N N 339 134.770 128.269 6.501 1
1 1112 . 10 1 1 A 96 96 VAL H H 340 7.745 8.792 -1.047 1
1 1113 . 10 1 1 A 96 96 VAL HA H 340 4.653 4.557 0.096 1
1 1121 . 10 1 1 A 96 96 VAL C C 340 175.494 175.363 0.131 1
1 1122 . 10 1 1 A 96 96 VAL CA C 340 60.722 61.461 -0.739 1
1 1123 . 10 1 1 A 96 96 VAL CB C 340 33.852 32.851 1.001 1
1 1126 . 10 1 1 A 96 96 VAL N N 340 128.328 126.124 2.204 1
1 1127 . 10 1 1 A 97 97 LEU H H 341 8.524 8.827 -0.303 1
1 1128 . 10 1 1 A 97 97 LEU HA H 341 4.243 4.460 -0.217 1
1 1138 . 10 1 1 A 97 97 LEU C C 341 176.052 176.657 -0.605 1
1 1139 . 10 1 1 A 97 97 LEU CA C 341 54.086 54.620 -0.534 1
1 1140 . 10 1 1 A 97 97 LEU CB C 341 41.446 41.149 0.297 1
1 1144 . 10 1 1 A 97 97 LEU N N 341 136.554 129.312 7.242 1
1 1145 . 10 1 1 A 98 98 ALA H H 342 8.344 8.540 -0.196 1
1 1146 . 10 1 1 A 98 98 ALA HA H 342 4.227 4.336 -0.109 1
1 1150 . 10 1 1 A 98 98 ALA C C 342 177.569 177.290 0.279 1
1 1151 . 10 1 1 A 98 98 ALA CA C 342 51.964 52.736 -0.772 1
1 1152 . 10 1 1 A 98 98 ALA CB C 342 19.976 19.248 0.728 1
1 1153 . 10 1 1 A 98 98 ALA N N 342 134.558 128.471 6.087 1
1 1154 . 10 1 1 A 99 99 LYS H H 343 8.552 8.376 0.176 1
1 1155 . 10 1 1 A 99 99 LYS HA H 343 4.119 4.607 -0.488 1
1 1164 . 10 1 1 A 99 99 LYS C C 343 175.859 176.404 -0.545 1
1 1165 . 10 1 1 A 99 99 LYS CA C 343 56.453 55.483 0.970 1
1 1166 . 10 1 1 A 99 99 LYS CB C 343 33.257 33.116 0.141 1
1 1170 . 10 1 1 A 99 99 LYS N N 343 128.906 121.961 6.945 1
1 4 . 11 1 1 A 2 2 ALA HA H -3 4.167 4.374 -0.207 1
1 8 . 11 1 1 A 2 2 ALA C C -3 177.254 177.026 0.228 1
1 9 . 11 1 1 A 2 2 ALA CA C -3 52.427 52.240 0.187 1
1 10 . 11 1 1 A 2 2 ALA CB C -3 19.740 19.718 0.022 1
1 11 . 11 1 1 A 3 3 MET H H -2 8.135 8.634 -0.499 1
1 12 . 11 1 1 A 3 3 MET HA H -2 4.351 4.921 -0.570 1
1 20 . 11 1 1 A 3 3 MET C C -2 176.007 174.501 1.506 1
1 21 . 11 1 1 A 3 3 MET CA C -2 55.444 53.746 1.698 1
1 22 . 11 1 1 A 3 3 MET CB C -2 34.277 36.026 -1.749 1
1 25 . 11 1 1 A 3 3 MET N N -2 125.628 115.600 10.028 1
1 43 . 11 1 1 A 6 6 PRO HA H 250 4.591 4.567 0.024 1
1 50 . 11 1 1 A 6 6 PRO C C 250 175.444 175.395 0.049 1
1 51 . 11 1 1 A 6 6 PRO CA C 250 61.829 62.773 -0.944 1
1 52 . 11 1 1 A 6 6 PRO CB C 250 32.464 32.654 -0.190 1
1 55 . 11 1 1 A 7 7 ARG H H 251 7.588 8.511 -0.923 1
1 56 . 11 1 1 A 7 7 ARG HA H 251 4.078 4.490 -0.412 1
1 64 . 11 1 1 A 7 7 ARG C C 251 175.065 174.945 0.120 1
1 65 . 11 1 1 A 7 7 ARG CA C 251 54.552 54.820 -0.268 1
1 66 . 11 1 1 A 7 7 ARG CB C 251 33.587 33.924 -0.337 1
1 69 . 11 1 1 A 7 7 ARG N N 251 124.900 121.881 3.019 1
1 71 . 11 1 1 A 8 8 PHE H H 252 8.893 8.400 0.493 1
1 72 . 11 1 1 A 8 8 PHE HA H 252 4.708 4.631 0.077 1
1 80 . 11 1 1 A 8 8 PHE CA C 252 59.744 59.500 0.244 1
1 81 . 11 1 1 A 8 8 PHE CB C 252 39.263 38.972 0.291 1
1 85 . 11 1 1 A 8 8 PHE N N 252 128.828 123.792 5.036 1
1 86 . 11 1 1 A 9 9 ILE H H 253 8.223 9.382 -1.159 1
1 87 . 11 1 1 A 9 9 ILE HA H 253 4.090 4.308 -0.218 1
1 97 . 11 1 1 A 9 9 ILE C C 253 175.698 176.161 -0.463 1
1 98 . 11 1 1 A 9 9 ILE CA C 253 61.230 62.527 -1.297 1
1 99 . 11 1 1 A 9 9 ILE CB C 253 39.165 38.855 0.310 1
1 103 . 11 1 1 A 9 9 ILE N N 253 128.239 125.189 3.050 1
1 104 . 11 1 1 A 10 10 GLN H H 254 7.437 7.931 -0.494 1
1 105 . 11 1 1 A 10 10 GLN HA H 254 4.450 4.812 -0.362 1
1 112 . 11 1 1 A 10 10 GLN C C 254 174.149 174.087 0.062 1
1 113 . 11 1 1 A 10 10 GLN CA C 254 56.197 55.526 0.671 1
1 114 . 11 1 1 A 10 10 GLN CB C 254 32.367 32.239 0.128 1
1 116 . 11 1 1 A 10 10 GLN N N 254 127.323 116.773 10.550 1
1 118 . 11 1 1 A 11 11 VAL H H 255 8.283 8.749 -0.466 1
1 119 . 11 1 1 A 11 11 VAL HA H 255 4.185 4.644 -0.459 1
1 127 . 11 1 1 A 11 11 VAL CA C 255 57.931 57.714 0.217 1
1 128 . 11 1 1 A 11 11 VAL CB C 255 33.230 34.330 -1.100 1
1 131 . 11 1 1 A 11 11 VAL N N 255 126.734 119.133 7.601 1
1 132 . 11 1 1 A 12 12 PRO HA H 256 4.538 4.487 0.051 1
1 139 . 11 1 1 A 12 12 PRO CA C 256 62.209 62.202 0.007 1
1 140 . 11 1 1 A 12 12 PRO CB C 256 31.724 32.229 -0.505 1
1 143 . 11 1 1 A 13 13 GLU H H 257 7.870 8.536 -0.666 1
1 144 . 11 1 1 A 13 13 GLU HA H 257 4.257 4.544 -0.287 1
1 149 . 11 1 1 A 13 13 GLU CA C 257 54.764 56.032 -1.268 1
1 150 . 11 1 1 A 13 13 GLU CB C 257 31.690 30.728 0.962 1
1 152 . 11 1 1 A 13 13 GLU N N 257 124.369 120.563 3.806 1
1 153 . 11 1 1 A 14 14 ASN H H 258 8.133 8.611 -0.478 1
1 154 . 11 1 1 A 14 14 ASN HA H 258 4.639 4.694 -0.055 1
1 159 . 11 1 1 A 14 14 ASN CA C 258 54.285 53.812 0.473 1
1 160 . 11 1 1 A 14 14 ASN CB C 258 38.023 38.803 -0.780 1
1 161 . 11 1 1 A 14 14 ASN N N 258 123.151 120.490 2.661 1
1 163 . 11 1 1 A 15 15 MET H H 259 8.295 9.180 -0.885 1
1 164 . 11 1 1 A 15 15 MET HA H 259 4.695 5.329 -0.634 1
1 172 . 11 1 1 A 15 15 MET C C 259 174.675 174.372 0.303 1
1 173 . 11 1 1 A 15 15 MET CA C 259 55.153 53.953 1.200 1
1 174 . 11 1 1 A 15 15 MET CB C 259 38.064 36.950 1.114 1
1 177 . 11 1 1 A 15 15 MET N N 259 125.442 121.277 4.165 1
1 178 . 11 1 1 A 16 16 SER H H 260 8.332 8.970 -0.638 1
1 179 . 11 1 1 A 16 16 SER HA H 260 5.261 5.526 -0.265 1
1 182 . 11 1 1 A 16 16 SER C C 260 172.889 173.425 -0.536 1
1 183 . 11 1 1 A 16 16 SER CA C 260 56.748 56.980 -0.232 1
1 184 . 11 1 1 A 16 16 SER CB C 260 64.170 65.857 -1.687 1
1 185 . 11 1 1 A 16 16 SER N N 260 125.417 113.472 11.945 1
1 186 . 11 1 1 A 17 17 ILE H H 261 8.394 8.997 -0.603 1
1 187 . 11 1 1 A 17 17 ILE HA H 261 4.366 4.611 -0.245 1
1 197 . 11 1 1 A 17 17 ILE C C 261 173.465 174.766 -1.301 1
1 198 . 11 1 1 A 17 17 ILE CA C 261 57.461 60.122 -2.661 1
1 199 . 11 1 1 A 17 17 ILE CB C 261 41.882 42.152 -0.270 1
1 203 . 11 1 1 A 17 17 ILE N N 261 131.680 124.274 7.406 1
1 204 . 11 1 1 A 18 18 ASP H H 262 8.043 8.713 -0.670 1
1 205 . 11 1 1 A 18 18 ASP HA H 262 4.498 4.561 -0.063 1
1 208 . 11 1 1 A 18 18 ASP C C 262 174.970 175.886 -0.916 1
1 209 . 11 1 1 A 18 18 ASP CA C 262 54.962 54.745 0.217 1
1 210 . 11 1 1 A 18 18 ASP CB C 262 41.518 40.775 0.743 1
1 211 . 11 1 1 A 18 18 ASP N N 262 132.455 127.443 5.012 1
1 212 . 11 1 1 A 19 19 GLU H H 263 8.058 8.773 -0.715 1
1 213 . 11 1 1 A 19 19 GLU HA H 263 3.322 3.896 -0.574 1
1 218 . 11 1 1 A 19 19 GLU C C 263 176.656 177.290 -0.634 1
1 219 . 11 1 1 A 19 19 GLU CA C 263 58.351 58.257 0.094 1
1 220 . 11 1 1 A 19 19 GLU CB C 263 29.716 29.335 0.381 1
1 222 . 11 1 1 A 19 19 GLU N N 263 126.424 124.808 1.616 1
1 223 . 11 1 1 A 20 20 GLY H H 264 9.131 9.080 0.051 1
1 224 . 11 1 1 A 20 20 GLY HA2 H 264 3.366 3.985 -0.619 1
1 225 . 11 1 1 A 20 20 GLY HA3 H 264 4.196 3.986 0.210 1
1 226 . 11 1 1 A 20 20 GLY C C 264 174.582 174.616 -0.034 1
1 227 . 11 1 1 A 20 20 GLY CA C 264 44.837 45.048 -0.211 1
1 228 . 11 1 1 A 20 20 GLY N N 264 119.124 114.899 4.225 1
1 229 . 11 1 1 A 21 21 ARG H H 265 7.192 7.417 -0.225 1
1 230 . 11 1 1 A 21 21 ARG HA H 265 4.377 4.418 -0.041 1
1 238 . 11 1 1 A 21 21 ARG C C 265 174.091 175.765 -1.674 1
1 239 . 11 1 1 A 21 21 ARG CA C 265 55.263 55.892 -0.629 1
1 240 . 11 1 1 A 21 21 ARG CB C 265 31.467 31.687 -0.220 1
1 243 . 11 1 1 A 21 21 ARG N N 265 126.182 120.367 5.815 1
1 245 . 11 1 1 A 22 22 PHE H H 266 7.699 8.804 -1.105 1
1 246 . 11 1 1 A 22 22 PHE HA H 266 4.688 4.951 -0.263 1
1 254 . 11 1 1 A 22 22 PHE C C 266 175.911 175.080 0.831 1
1 255 . 11 1 1 A 22 22 PHE CA C 266 57.132 59.197 -2.065 1
1 256 . 11 1 1 A 22 22 PHE CB C 266 41.270 40.075 1.195 1
1 260 . 11 1 1 A 22 22 PHE N N 266 127.111 122.459 4.652 1
1 261 . 11 1 1 A 23 23 CYS H H 267 8.140 8.339 -0.199 1
1 262 . 11 1 1 A 23 23 CYS HA H 267 4.282 5.010 -0.728 1
1 265 . 11 1 1 A 23 23 CYS C C 267 170.233 172.476 -2.243 1
1 266 . 11 1 1 A 23 23 CYS CA C 267 57.626 58.048 -0.422 1
1 267 . 11 1 1 A 23 23 CYS CB C 267 30.411 32.172 -1.761 1
1 268 . 11 1 1 A 23 23 CYS N N 267 130.194 126.062 4.132 1
1 269 . 11 1 1 A 24 24 ARG H H 268 8.160 8.922 -0.762 1
1 270 . 11 1 1 A 24 24 ARG HA H 268 5.167 5.306 -0.139 1
1 278 . 11 1 1 A 24 24 ARG CA C 268 53.910 54.263 -0.353 1
1 279 . 11 1 1 A 24 24 ARG CB C 268 35.114 33.779 1.335 1
1 283 . 11 1 1 A 25 25 MET H H 269 8.839 9.060 -0.221 1
1 284 . 11 1 1 A 25 25 MET HA H 269 4.518 5.270 -0.752 1
1 292 . 11 1 1 A 25 25 MET C C 269 174.090 175.141 -1.051 1
1 293 . 11 1 1 A 25 25 MET CA C 269 54.960 54.327 0.633 1
1 294 . 11 1 1 A 25 25 MET CB C 269 35.645 35.186 0.459 1
1 297 . 11 1 1 A 25 25 MET N N 269 127.757 120.084 7.673 1
1 298 . 11 1 1 A 26 26 ASP H H 270 8.473 8.678 -0.205 1
1 299 . 11 1 1 A 26 26 ASP HA H 270 5.772 4.732 1.040 1
1 302 . 11 1 1 A 26 26 ASP CA C 270 53.157 54.559 -1.402 1
1 303 . 11 1 1 A 26 26 ASP CB C 270 43.595 40.794 2.801 1
1 304 . 11 1 1 A 26 26 ASP N N 270 129.880 126.001 3.879 1
1 305 . 11 1 1 A 27 27 PHE H H 271 9.180 8.853 0.327 1
1 306 . 11 1 1 A 27 27 PHE HA H 271 5.014 4.927 0.087 1
1 314 . 11 1 1 A 27 27 PHE CA C 271 55.904 56.285 -0.381 1
1 317 . 11 1 1 A 27 27 PHE N N 271 123.116 121.432 1.684 1
1 318 . 11 1 1 A 28 28 LYS H H 272 9.221 8.815 0.406 1
1 327 . 11 1 1 A 28 28 LYS CA C 272 59.294 56.635 2.659 1
1 328 . 11 1 1 A 28 28 LYS CB C 272 38.090 32.703 5.387 1
1 332 . 11 1 1 A 28 28 LYS N N 272 131.321 124.547 6.774 1
1 333 . 11 1 1 A 29 29 VAL H H 273 8.304 8.836 -0.532 1
1 334 . 11 1 1 A 29 29 VAL HA H 273 4.331 5.096 -0.765 1
1 342 . 11 1 1 A 29 29 VAL C C 273 175.240 174.103 1.137 1
1 343 . 11 1 1 A 29 29 VAL CA C 273 61.020 60.143 0.877 1
1 344 . 11 1 1 A 29 29 VAL CB C 273 33.889 34.775 -0.886 1
1 347 . 11 1 1 A 30 30 SER H H 274 8.545 8.901 -0.356 1
1 348 . 11 1 1 A 30 30 SER HA H 274 4.647 5.358 -0.711 1
1 351 . 11 1 1 A 30 30 SER C C 274 172.993 173.860 -0.867 1
1 352 . 11 1 1 A 30 30 SER CA C 274 56.505 57.338 -0.833 1
1 353 . 11 1 1 A 30 30 SER CB C 274 65.805 65.222 0.583 1
1 354 . 11 1 1 A 30 30 SER N N 274 129.796 126.562 3.234 1
1 355 . 11 1 1 A 31 31 GLY H H 275 7.712 8.679 -0.967 1
1 356 . 11 1 1 A 31 31 GLY HA2 H 275 3.220 4.386 -1.166 1
1 357 . 11 1 1 A 31 31 GLY HA3 H 275 3.649 4.390 -0.741 1
1 358 . 11 1 1 A 31 31 GLY C C 275 170.984 172.053 -1.069 1
1 359 . 11 1 1 A 31 31 GLY CA C 275 45.099 45.380 -0.281 1
1 360 . 11 1 1 A 31 31 GLY N N 275 115.009 112.407 2.602 1
1 361 . 11 1 1 A 32 32 LEU H H 276 7.668 8.765 -1.097 1
1 362 . 11 1 1 A 32 32 LEU HA H 276 4.301 4.897 -0.596 1
1 372 . 11 1 1 A 32 32 LEU C C 276 173.812 174.802 -0.990 1
1 373 . 11 1 1 A 32 32 LEU CA C 276 52.370 51.385 0.985 1
1 374 . 11 1 1 A 32 32 LEU CB C 276 45.554 45.632 -0.078 1
1 378 . 11 1 1 A 32 32 LEU N N 276 129.727 121.735 7.992 1
1 379 . 11 1 1 A 33 33 PRO HA H 277 4.416 4.613 -0.197 1
1 386 . 11 1 1 A 33 33 PRO CA C 277 62.576 62.405 0.171 1
1 387 . 11 1 1 A 33 33 PRO CB C 277 35.012 32.607 2.405 1
1 390 . 11 1 1 A 34 34 ALA H H 278 8.598 8.352 0.246 1
1 391 . 11 1 1 A 34 34 ALA HA H 278 4.153 4.348 -0.195 1
1 395 . 11 1 1 A 34 34 ALA CA C 278 50.822 50.732 0.090 1
1 396 . 11 1 1 A 34 34 ALA CB C 278 17.462 18.901 -1.439 1
1 397 . 11 1 1 A 34 34 ALA N N 278 131.518 124.428 7.090 1
1 398 . 11 1 1 A 35 35 PRO HA H 279 4.206 4.520 -0.314 1
1 405 . 11 1 1 A 35 35 PRO C C 279 175.701 176.008 -0.307 1
1 406 . 11 1 1 A 35 35 PRO CA C 279 62.628 62.555 0.073 1
1 407 . 11 1 1 A 35 35 PRO CB C 279 33.069 32.067 1.002 1
1 410 . 11 1 1 A 36 36 ASP H H 280 8.621 8.469 0.152 1
1 411 . 11 1 1 A 36 36 ASP HA H 280 4.659 4.788 -0.129 1
1 414 . 11 1 1 A 36 36 ASP C C 280 176.057 176.032 0.025 1
1 415 . 11 1 1 A 36 36 ASP CA C 280 54.307 54.048 0.259 1
1 416 . 11 1 1 A 36 36 ASP CB C 280 42.741 41.857 0.884 1
1 417 . 11 1 1 A 36 36 ASP N N 280 127.555 121.966 5.589 1
1 418 . 11 1 1 A 37 37 VAL H H 281 8.635 8.958 -0.323 1
1 419 . 11 1 1 A 37 37 VAL HA H 281 4.938 4.987 -0.049 1
1 427 . 11 1 1 A 37 37 VAL CA C 281 61.135 59.760 1.375 1
1 428 . 11 1 1 A 37 37 VAL CB C 281 34.579 34.516 0.063 1
1 431 . 11 1 1 A 38 38 SER H H 282 8.591 8.737 -0.146 1
1 432 . 11 1 1 A 38 38 SER HA H 282 4.518 5.164 -0.646 1
1 435 . 11 1 1 A 38 38 SER CA C 282 57.540 57.421 0.119 1
1 436 . 11 1 1 A 38 38 SER CB C 282 66.530 65.535 0.995 1
1 437 . 11 1 1 A 38 38 SER N N 282 128.264 119.969 8.295 1
1 438 . 11 1 1 A 39 39 TRP H H 283 8.426 8.730 -0.304 1
1 439 . 11 1 1 A 39 39 TRP HA H 283 5.297 5.250 0.047 1
1 448 . 11 1 1 A 39 39 TRP CA C 283 56.298 57.176 -0.878 1
1 449 . 11 1 1 A 39 39 TRP CB C 283 33.153 31.231 1.922 1
1 455 . 11 1 1 A 39 39 TRP N N 283 127.698 127.482 0.216 1
1 456 . 11 1 1 A 40 40 TYR H H 284 9.373 9.341 0.032 1
1 457 . 11 1 1 A 40 40 TYR HA H 284 4.903 5.441 -0.538 1
1 464 . 11 1 1 A 40 40 TYR C C 284 174.148 174.659 -0.511 1
1 465 . 11 1 1 A 40 40 TYR CA C 284 56.849 56.235 0.614 1
1 466 . 11 1 1 A 40 40 TYR CB C 284 42.754 43.370 -0.616 1
1 469 . 11 1 1 A 40 40 TYR N N 284 125.437 120.455 4.982 1
1 470 . 11 1 1 A 41 41 LEU H H 285 8.898 9.192 -0.294 1
1 471 . 11 1 1 A 41 41 LEU HA H 285 4.255 4.593 -0.338 1
1 481 . 11 1 1 A 41 41 LEU C C 285 176.606 175.463 1.143 1
1 482 . 11 1 1 A 41 41 LEU CA C 285 53.659 53.986 -0.327 1
1 483 . 11 1 1 A 41 41 LEU CB C 285 43.740 44.750 -1.010 1
1 487 . 11 1 1 A 41 41 LEU N N 285 129.512 122.572 6.940 1
1 488 . 11 1 1 A 42 42 ASN H H 286 9.454 9.470 -0.016 1
1 489 . 11 1 1 A 42 42 ASN HA H 286 4.221 4.416 -0.195 1
1 494 . 11 1 1 A 42 42 ASN C C 286 175.692 175.281 0.411 1
1 495 . 11 1 1 A 42 42 ASN CA C 286 54.239 54.396 -0.157 1
1 496 . 11 1 1 A 42 42 ASN CB C 286 37.331 36.959 0.372 1
1 497 . 11 1 1 A 42 42 ASN N N 286 134.097 126.377 7.720 1
1 499 . 11 1 1 A 43 43 GLY H H 287 8.709 8.338 0.371 1
1 500 . 11 1 1 A 43 43 GLY HA2 H 287 3.356 3.976 -0.620 1
1 501 . 11 1 1 A 43 43 GLY HA3 H 287 3.995 3.984 0.011 1
1 502 . 11 1 1 A 43 43 GLY C C 287 173.786 174.593 -0.807 1
1 503 . 11 1 1 A 43 43 GLY CA C 287 45.450 45.136 0.314 1
1 504 . 11 1 1 A 43 43 GLY N N 287 108.807 104.987 3.820 1
1 505 . 11 1 1 A 44 44 ARG H H 288 7.902 7.580 0.322 1
1 506 . 11 1 1 A 44 44 ARG HA H 288 4.697 4.642 0.055 1
1 514 . 11 1 1 A 44 44 ARG C C 288 175.799 176.297 -0.498 1
1 515 . 11 1 1 A 44 44 ARG CA C 288 54.658 54.998 -0.340 1
1 516 . 11 1 1 A 44 44 ARG CB C 288 32.436 31.564 0.872 1
1 519 . 11 1 1 A 44 44 ARG N N 288 127.837 120.289 7.548 1
1 521 . 11 1 1 A 45 45 THR H H 289 8.539 8.661 -0.122 1
1 522 . 11 1 1 A 45 45 THR HA H 289 3.763 4.239 -0.476 1
1 527 . 11 1 1 A 45 45 THR C C 289 174.692 174.299 0.393 1
1 528 . 11 1 1 A 45 45 THR CA C 289 63.977 61.809 2.168 1
1 529 . 11 1 1 A 45 45 THR CB C 289 69.706 69.857 -0.151 1
1 531 . 11 1 1 A 45 45 THR N N 289 126.100 113.969 12.131 1
1 532 . 11 1 1 A 46 46 VAL H H 290 8.033 8.322 -0.289 1
1 533 . 11 1 1 A 46 46 VAL HA H 290 3.647 4.504 -0.857 1
1 541 . 11 1 1 A 46 46 VAL C C 290 174.672 175.419 -0.747 1
1 542 . 11 1 1 A 46 46 VAL CA C 290 62.458 61.455 1.003 1
1 543 . 11 1 1 A 46 46 VAL CB C 290 32.500 34.169 -1.669 1
1 546 . 11 1 1 A 46 46 VAL N N 290 134.795 121.541 13.254 1
1 547 . 11 1 1 A 47 47 GLN H H 291 8.124 8.635 -0.511 1
1 548 . 11 1 1 A 47 47 GLN HA H 291 4.281 4.320 -0.039 1
1 555 . 11 1 1 A 47 47 GLN C C 291 175.398 175.564 -0.166 1
1 556 . 11 1 1 A 47 47 GLN CA C 291 54.235 56.179 -1.944 1
1 557 . 11 1 1 A 47 47 GLN CB C 291 30.283 29.298 0.985 1
1 559 . 11 1 1 A 47 47 GLN N N 291 132.792 127.120 5.672 1
1 561 . 11 1 1 A 48 48 SER H H 292 8.280 8.535 -0.255 1
1 562 . 11 1 1 A 48 48 SER HA H 292 4.308 4.565 -0.257 1
1 565 . 11 1 1 A 48 48 SER C C 292 174.304 173.673 0.631 1
1 566 . 11 1 1 A 48 48 SER CA C 292 58.222 58.199 0.023 1
1 567 . 11 1 1 A 48 48 SER CB C 292 63.719 64.208 -0.489 1
1 568 . 11 1 1 A 48 48 SER N N 292 123.481 116.354 7.127 1
1 569 . 11 1 1 A 49 49 ASP H H 293 9.050 8.832 0.218 1
1 570 . 11 1 1 A 49 49 ASP HA H 293 4.482 4.930 -0.448 1
1 573 . 11 1 1 A 49 49 ASP C C 293 176.099 175.973 0.126 1
1 574 . 11 1 1 A 49 49 ASP CA C 293 53.668 53.164 0.504 1
1 575 . 11 1 1 A 49 49 ASP CB C 293 40.100 42.395 -2.295 1
1 576 . 11 1 1 A 49 49 ASP N N 293 131.157 120.203 10.954 1
1 577 . 11 1 1 A 50 50 ASP H H 294 8.324 8.797 -0.473 1
1 578 . 11 1 1 A 50 50 ASP HA H 294 4.167 4.297 -0.130 1
1 581 . 11 1 1 A 50 50 ASP C C 294 176.520 176.892 -0.372 1
1 582 . 11 1 1 A 50 50 ASP CA C 294 57.367 56.348 1.019 1
1 583 . 11 1 1 A 50 50 ASP CB C 294 40.226 40.816 -0.590 1
1 584 . 11 1 1 A 50 50 ASP N N 294 122.206 118.603 3.603 1
1 585 . 11 1 1 A 51 51 LEU H H 295 7.749 7.682 0.067 1
1 586 . 11 1 1 A 51 51 LEU HA H 295 4.281 4.250 0.031 1
1 596 . 11 1 1 A 51 51 LEU C C 295 175.716 176.538 -0.822 1
1 597 . 11 1 1 A 51 51 LEU CA C 295 54.407 55.437 -1.030 1
1 598 . 11 1 1 A 51 51 LEU CB C 295 43.849 43.077 0.772 1
1 602 . 11 1 1 A 51 51 LEU N N 295 121.836 116.711 5.125 1
1 603 . 11 1 1 A 52 52 HIS H H 296 7.548 7.769 -0.221 1
1 604 . 11 1 1 A 52 52 HIS HA H 296 5.091 4.642 0.449 1
1 609 . 11 1 1 A 52 52 HIS C C 296 172.683 174.010 -1.327 1
1 610 . 11 1 1 A 52 52 HIS CA C 296 54.900 54.281 0.619 1
1 611 . 11 1 1 A 52 52 HIS CB C 296 28.894 28.141 0.753 1
1 614 . 11 1 1 A 52 52 HIS N N 296 126.326 115.920 10.406 1
1 615 . 11 1 1 A 53 53 LYS H H 297 8.515 8.498 0.017 1
1 616 . 11 1 1 A 53 53 LYS HA H 297 4.608 4.335 0.273 1
1 625 . 11 1 1 A 53 53 LYS C C 297 174.797 175.445 -0.648 1
1 626 . 11 1 1 A 53 53 LYS CA C 297 54.303 56.376 -2.073 1
1 627 . 11 1 1 A 53 53 LYS CB C 297 35.705 33.295 2.410 1
1 631 . 11 1 1 A 53 53 LYS N N 297 127.067 123.850 3.217 1
1 632 . 11 1 1 A 54 54 MET H H 298 8.379 8.827 -0.448 1
1 633 . 11 1 1 A 54 54 MET HA H 298 5.091 5.088 0.003 1
1 641 . 11 1 1 A 54 54 MET CA C 298 55.427 54.907 0.520 1
1 642 . 11 1 1 A 54 54 MET CB C 298 34.100 35.121 -1.021 1
1 645 . 11 1 1 A 54 54 MET N N 298 128.992 121.139 7.853 1
1 646 . 11 1 1 A 55 55 ILE H H 299 8.279 8.188 0.091 1
1 647 . 11 1 1 A 55 55 ILE HA H 299 4.602 5.126 -0.524 1
1 657 . 11 1 1 A 55 55 ILE CA C 299 59.130 58.952 0.178 1
1 658 . 11 1 1 A 55 55 ILE CB C 299 42.747 42.143 0.604 1
1 662 . 11 1 1 A 56 56 VAL H H 300 9.227 8.767 0.460 1
1 663 . 11 1 1 A 56 56 VAL HA H 300 4.912 4.728 0.184 1
1 671 . 11 1 1 A 56 56 VAL CA C 300 59.226 60.946 -1.720 1
1 672 . 11 1 1 A 56 56 VAL CB C 300 36.406 33.792 2.614 1
1 675 . 11 1 1 A 57 57 SER H H 301 8.794 9.098 -0.304 1
1 676 . 11 1 1 A 57 57 SER HA H 301 4.575 4.486 0.089 1
1 679 . 11 1 1 A 57 57 SER CA C 301 56.558 58.805 -2.247 1
1 680 . 11 1 1 A 57 57 SER CB C 301 65.617 64.016 1.601 1
1 681 . 11 1 1 A 57 57 SER N N 301 128.893 123.506 5.387 1
1 682 . 11 1 1 A 58 58 GLU HA H 302 4.013 4.088 -0.075 1
1 687 . 11 1 1 A 58 58 GLU CA C 302 58.165 58.909 -0.744 1
1 688 . 11 1 1 A 58 58 GLU CB C 302 29.508 29.160 0.348 1
1 690 . 11 1 1 A 59 59 LYS HA H 303 4.114 4.312 -0.198 1
1 699 . 11 1 1 A 59 59 LYS C C 303 176.755 176.881 -0.126 1
1 700 . 11 1 1 A 59 59 LYS CA C 303 55.913 55.796 0.117 1
1 701 . 11 1 1 A 59 59 LYS CB C 303 31.679 32.809 -1.130 1
1 705 . 11 1 1 A 60 60 GLY H H 304 7.813 8.113 -0.300 1
1 706 . 11 1 1 A 60 60 GLY HA2 H 304 4.037 4.000 0.037 1
1 707 . 11 1 1 A 60 60 GLY HA3 H 304 3.411 4.001 -0.590 1
1 708 . 11 1 1 A 60 60 GLY C C 304 173.480 174.005 -0.525 1
1 709 . 11 1 1 A 60 60 GLY CA C 304 45.955 46.597 -0.642 1
1 710 . 11 1 1 A 60 60 GLY N N 304 113.597 107.990 5.607 1
1 711 . 11 1 1 A 61 61 LEU H H 305 7.253 7.332 -0.079 1
1 712 . 11 1 1 A 61 61 LEU HA H 305 4.396 5.009 -0.613 1
1 722 . 11 1 1 A 61 61 LEU CA C 305 54.825 54.075 0.750 1
1 723 . 11 1 1 A 61 61 LEU CB C 305 43.099 44.661 -1.562 1
1 727 . 11 1 1 A 61 61 LEU N N 305 128.081 120.855 7.226 1
1 728 . 11 1 1 A 62 62 HIS H H 306 8.294 9.000 -0.706 1
1 733 . 11 1 1 A 62 62 HIS N N 306 130.344 127.810 2.534 1
1 734 . 11 1 1 A 63 63 SER HA H 307 5.980 4.902 1.078 1
1 737 . 11 1 1 A 63 63 SER CA C 307 57.517 56.741 0.776 1
1 738 . 11 1 1 A 63 63 SER CB C 307 66.760 64.093 2.667 1
1 739 . 11 1 1 A 64 64 LEU H H 308 8.827 8.648 0.179 1
1 740 . 11 1 1 A 64 64 LEU HA H 308 4.657 4.522 0.135 1
1 750 . 11 1 1 A 64 64 LEU C C 308 174.337 174.512 -0.175 1
1 751 . 11 1 1 A 64 64 LEU CA C 308 54.386 54.284 0.102 1
1 752 . 11 1 1 A 64 64 LEU CB C 308 42.678 42.859 -0.181 1
1 756 . 11 1 1 A 65 65 ILE H H 309 9.009 8.486 0.523 1
1 757 . 11 1 1 A 65 65 ILE HA H 309 3.880 4.821 -0.941 1
1 767 . 11 1 1 A 65 65 ILE C C 309 173.963 174.687 -0.724 1
1 768 . 11 1 1 A 65 65 ILE CA C 309 60.296 59.774 0.522 1
1 769 . 11 1 1 A 65 65 ILE CB C 309 40.727 40.834 -0.107 1
1 773 . 11 1 1 A 65 65 ILE N N 309 133.046 128.742 4.304 1
1 774 . 11 1 1 A 66 66 PHE H H 310 8.508 8.823 -0.315 1
1 775 . 11 1 1 A 66 66 PHE HA H 310 4.367 4.877 -0.510 1
1 783 . 11 1 1 A 66 66 PHE C C 310 174.555 175.705 -1.150 1
1 784 . 11 1 1 A 66 66 PHE CA C 310 54.878 55.950 -1.072 1
1 785 . 11 1 1 A 66 66 PHE CB C 310 38.819 40.341 -1.522 1
1 789 . 11 1 1 A 66 66 PHE N N 310 132.294 124.110 8.184 1
1 790 . 11 1 1 A 67 67 GLU H H 311 7.879 8.817 -0.938 1
1 791 . 11 1 1 A 67 67 GLU HA H 311 4.025 4.437 -0.412 1
1 796 . 11 1 1 A 67 67 GLU C C 311 177.819 177.205 0.614 1
1 797 . 11 1 1 A 67 67 GLU CA C 311 59.266 59.256 0.010 1
1 798 . 11 1 1 A 67 67 GLU CB C 311 30.421 30.647 -0.226 1
1 800 . 11 1 1 A 67 67 GLU N N 311 127.092 123.971 3.121 1
1 801 . 11 1 1 A 68 68 VAL H H 312 7.428 7.596 -0.168 1
1 802 . 11 1 1 A 68 68 VAL HA H 312 3.402 4.499 -1.097 1
1 810 . 11 1 1 A 68 68 VAL C C 312 173.921 174.118 -0.197 1
1 811 . 11 1 1 A 68 68 VAL CA C 312 61.444 61.014 0.430 1
1 812 . 11 1 1 A 68 68 VAL CB C 312 34.790 33.018 1.772 1
1 815 . 11 1 1 A 68 68 VAL N N 312 120.315 116.823 3.492 1
1 816 . 11 1 1 A 69 69 VAL H H 313 8.233 8.640 -0.407 1
1 817 . 11 1 1 A 69 69 VAL HA H 313 3.829 4.226 -0.397 1
1 825 . 11 1 1 A 69 69 VAL C C 313 175.123 174.954 0.169 1
1 826 . 11 1 1 A 69 69 VAL CA C 313 63.200 62.534 0.666 1
1 827 . 11 1 1 A 69 69 VAL CB C 313 32.836 32.562 0.274 1
1 830 . 11 1 1 A 69 69 VAL N N 313 132.928 128.770 4.158 1
1 831 . 11 1 1 A 70 70 ARG H H 314 9.259 9.003 0.256 1
1 832 . 11 1 1 A 70 70 ARG HA H 314 4.776 4.710 0.066 1
1 839 . 11 1 1 A 70 70 ARG C C 314 177.491 176.837 0.654 1
1 840 . 11 1 1 A 70 70 ARG CA C 314 53.728 54.107 -0.379 1
1 841 . 11 1 1 A 70 70 ARG CB C 314 34.282 32.673 1.609 1
1 844 . 11 1 1 A 70 70 ARG N N 314 133.209 127.540 5.669 1
1 845 . 11 1 1 A 71 71 ALA H H 315 9.059 8.867 0.192 1
1 846 . 11 1 1 A 71 71 ALA HA H 315 3.676 3.992 -0.316 1
1 850 . 11 1 1 A 71 71 ALA C C 315 180.122 179.357 0.765 1
1 851 . 11 1 1 A 71 71 ALA CA C 315 56.356 55.102 1.254 1
1 852 . 11 1 1 A 71 71 ALA CB C 315 17.923 18.403 -0.480 1
1 853 . 11 1 1 A 71 71 ALA N N 315 131.839 124.480 7.359 1
1 854 . 11 1 1 A 72 72 SER H H 316 7.735 8.314 -0.579 1
1 855 . 11 1 1 A 72 72 SER HA H 316 4.046 4.252 -0.206 1
1 858 . 11 1 1 A 72 72 SER C C 316 175.495 174.892 0.603 1
1 859 . 11 1 1 A 72 72 SER CA C 316 60.037 61.060 -1.023 1
1 860 . 11 1 1 A 72 72 SER CB C 316 62.381 62.568 -0.187 1
1 861 . 11 1 1 A 72 72 SER N N 316 115.841 112.183 3.658 1
1 862 . 11 1 1 A 73 73 ASP H H 317 8.175 7.927 0.248 1
1 863 . 11 1 1 A 73 73 ASP HA H 317 4.644 4.784 -0.140 1
1 866 . 11 1 1 A 73 73 ASP C C 317 176.176 176.217 -0.041 1
1 867 . 11 1 1 A 73 73 ASP CA C 317 55.305 54.713 0.592 1
1 868 . 11 1 1 A 73 73 ASP CB C 317 42.572 41.391 1.181 1
1 869 . 11 1 1 A 73 73 ASP N N 317 126.327 120.179 6.148 1
1 870 . 11 1 1 A 74 74 ALA H H 318 7.339 6.894 0.445 1
1 871 . 11 1 1 A 74 74 ALA HA H 318 4.013 4.245 -0.232 1
1 875 . 11 1 1 A 74 74 ALA C C 318 176.813 177.174 -0.361 1
1 876 . 11 1 1 A 74 74 ALA CA C 318 53.570 53.030 0.540 1
1 877 . 11 1 1 A 74 74 ALA CB C 318 20.548 20.552 -0.004 1
1 878 . 11 1 1 A 74 74 ALA N N 318 127.859 122.150 5.709 1
1 879 . 11 1 1 A 75 75 GLY H H 319 8.797 8.798 -0.001 1
1 880 . 11 1 1 A 75 75 GLY HA2 H 319 3.599 4.082 -0.483 1
1 881 . 11 1 1 A 75 75 GLY HA3 H 319 4.239 4.146 0.093 1
1 882 . 11 1 1 A 75 75 GLY C C 319 170.102 172.024 -1.922 1
1 883 . 11 1 1 A 75 75 GLY CA C 319 45.105 44.287 0.818 1
1 884 . 11 1 1 A 75 75 GLY N N 319 114.261 107.131 7.130 1
1 885 . 11 1 1 A 76 76 ALA H H 320 7.621 8.149 -0.528 1
1 886 . 11 1 1 A 76 76 ALA HA H 320 4.521 4.710 -0.189 1
1 890 . 11 1 1 A 76 76 ALA C C 320 176.291 176.381 -0.090 1
1 891 . 11 1 1 A 76 76 ALA CA C 320 51.158 51.307 -0.149 1
1 892 . 11 1 1 A 76 76 ALA CB C 320 19.242 19.545 -0.303 1
1 893 . 11 1 1 A 76 76 ALA N N 320 129.042 122.898 6.144 1
1 894 . 11 1 1 A 77 77 TYR H H 321 9.406 9.018 0.388 1
1 895 . 11 1 1 A 77 77 TYR HA H 321 5.237 5.285 -0.048 1
1 903 . 11 1 1 A 77 77 TYR C C 321 175.676 176.081 -0.405 1
1 904 . 11 1 1 A 77 77 TYR CA C 321 57.779 58.046 -0.267 1
1 905 . 11 1 1 A 77 77 TYR CB C 321 40.623 39.951 0.672 1
1 908 . 11 1 1 A 77 77 TYR N N 321 132.635 124.678 7.957 1
1 909 . 11 1 1 A 78 78 ALA H H 322 9.084 9.068 0.016 1
1 910 . 11 1 1 A 78 78 ALA HA H 322 5.031 5.285 -0.254 1
1 914 . 11 1 1 A 78 78 ALA CA C 322 50.120 51.369 -1.249 1
1 915 . 11 1 1 A 78 78 ALA CB C 322 21.653 23.924 -2.271 1
1 916 . 11 1 1 A 78 78 ALA N N 322 130.291 122.663 7.628 1
1 917 . 11 1 1 A 79 79 CYS H H 323 7.932 8.834 -0.902 1
1 918 . 11 1 1 A 79 79 CYS HA H 323 4.037 4.579 -0.542 1
1 919 . 11 1 1 A 79 79 CYS C C 323 173.727 173.345 0.382 1
1 920 . 11 1 1 A 79 79 CYS CA C 323 56.345 56.788 -0.443 1
1 921 . 11 1 1 A 80 80 VAL H H 324 8.671 8.652 0.019 1
1 922 . 11 1 1 A 80 80 VAL HA H 324 4.596 4.329 0.267 1
1 930 . 11 1 1 A 80 80 VAL C C 324 174.904 175.115 -0.211 1
1 931 . 11 1 1 A 80 80 VAL CA C 324 60.907 62.745 -1.838 1
1 932 . 11 1 1 A 80 80 VAL CB C 324 34.334 32.161 2.173 1
1 934 . 11 1 1 A 80 80 VAL N N 324 135.079 127.188 7.891 1
1 935 . 11 1 1 A 81 81 ALA H H 325 9.107 8.817 0.290 1
1 936 . 11 1 1 A 81 81 ALA HA H 325 5.220 5.244 -0.024 1
1 940 . 11 1 1 A 81 81 ALA C C 325 175.446 175.869 -0.423 1
1 941 . 11 1 1 A 81 81 ALA CA C 325 49.197 50.721 -1.524 1
1 942 . 11 1 1 A 81 81 ALA CB C 325 22.479 21.899 0.580 1
1 943 . 11 1 1 A 81 81 ALA N N 325 136.369 129.076 7.293 1
1 944 . 11 1 1 A 82 82 LYS H H 326 8.734 8.998 -0.264 1
1 945 . 11 1 1 A 82 82 LYS HA H 326 5.021 5.167 -0.146 1
1 954 . 11 1 1 A 82 82 LYS C C 326 175.054 175.095 -0.041 1
1 955 . 11 1 1 A 82 82 LYS CA C 326 55.451 54.701 0.750 1
1 956 . 11 1 1 A 82 82 LYS CB C 326 37.852 36.213 1.639 1
1 960 . 11 1 1 A 82 82 LYS N N 326 128.038 122.524 5.514 1
1 961 . 11 1 1 A 83 83 ASN H H 327 8.949 8.744 0.205 1
1 962 . 11 1 1 A 83 83 ASN HA H 327 4.624 5.113 -0.489 1
1 967 . 11 1 1 A 83 83 ASN C C 327 176.409 175.499 0.910 1
1 968 . 11 1 1 A 83 83 ASN CA C 327 51.838 51.392 0.446 1
1 969 . 11 1 1 A 83 83 ASN CB C 327 40.927 39.741 1.186 1
1 970 . 11 1 1 A 83 83 ASN N N 327 128.769 121.667 7.102 1
1 972 . 11 1 1 A 84 84 ARG H H 328 8.203 9.123 -0.920 1
1 973 . 11 1 1 A 84 84 ARG HA H 328 3.917 4.077 -0.160 1
1 981 . 11 1 1 A 84 84 ARG C C 328 175.820 176.141 -0.321 1
1 982 . 11 1 1 A 84 84 ARG CA C 328 58.250 58.304 -0.054 1
1 983 . 11 1 1 A 84 84 ARG CB C 328 29.985 29.670 0.315 1
1 986 . 11 1 1 A 84 84 ARG N N 328 121.021 117.811 3.210 1
1 988 . 11 1 1 A 85 85 ALA H H 329 7.599 8.036 -0.437 1
1 989 . 11 1 1 A 85 85 ALA HA H 329 4.279 4.474 -0.195 1
1 993 . 11 1 1 A 85 85 ALA C C 329 177.261 177.049 0.212 1
1 994 . 11 1 1 A 85 85 ALA CA C 329 51.905 51.966 -0.061 1
1 995 . 11 1 1 A 85 85 ALA CB C 329 19.637 20.379 -0.742 1
1 996 . 11 1 1 A 85 85 ALA N N 329 125.074 121.676 3.398 1
1 997 . 11 1 1 A 86 86 GLY H H 330 7.624 7.144 0.480 1
1 998 . 11 1 1 A 86 86 GLY HA2 H 330 3.806 4.018 -0.212 1
1 999 . 11 1 1 A 86 86 GLY HA3 H 330 4.164 4.028 0.136 1
1 1000 . 11 1 1 A 86 86 GLY C C 330 169.646 170.838 -1.192 1
1 1001 . 11 1 1 A 86 86 GLY CA C 330 46.012 45.826 0.186 1
1 1002 . 11 1 1 A 86 86 GLY N N 330 112.891 103.230 9.661 1
1 1003 . 11 1 1 A 87 87 GLU H H 331 8.213 8.420 -0.207 1
1 1004 . 11 1 1 A 87 87 GLU HA H 331 5.274 5.270 0.004 1
1 1009 . 11 1 1 A 87 87 GLU C C 331 174.418 174.588 -0.170 1
1 1010 . 11 1 1 A 87 87 GLU CA C 331 54.349 54.854 -0.505 1
1 1011 . 11 1 1 A 87 87 GLU CB C 331 34.615 33.560 1.055 1
1 1013 . 11 1 1 A 87 87 GLU N N 331 123.208 120.194 3.014 1
1 1014 . 11 1 1 A 88 88 ALA H H 332 8.897 8.894 0.003 1
1 1015 . 11 1 1 A 88 88 ALA HA H 332 4.569 4.943 -0.374 1
1 1019 . 11 1 1 A 88 88 ALA C C 332 175.121 175.436 -0.315 1
1 1020 . 11 1 1 A 88 88 ALA CA C 332 51.592 50.451 1.141 1
1 1021 . 11 1 1 A 88 88 ALA CB C 332 23.324 23.528 -0.204 1
1 1022 . 11 1 1 A 88 88 ALA N N 332 131.757 126.094 5.663 1
1 1023 . 11 1 1 A 89 89 THR H H 333 8.521 8.730 -0.209 1
1 1024 . 11 1 1 A 89 89 THR HA H 333 5.661 5.029 0.632 1
1 1029 . 11 1 1 A 89 89 THR C C 333 173.827 173.523 0.304 1
1 1030 . 11 1 1 A 89 89 THR CA C 333 60.601 61.563 -0.962 1
1 1031 . 11 1 1 A 89 89 THR CB C 333 72.140 71.062 1.078 1
1 1033 . 11 1 1 A 89 89 THR N N 333 121.100 114.833 6.267 1
1 1034 . 11 1 1 A 90 90 PHE H H 334 8.603 8.674 -0.071 1
1 1035 . 11 1 1 A 90 90 PHE HA H 334 4.624 4.848 -0.224 1
1 1043 . 11 1 1 A 90 90 PHE CA C 334 56.618 58.106 -1.488 1
1 1044 . 11 1 1 A 90 90 PHE CB C 334 42.489 40.620 1.869 1
1 1048 . 11 1 1 A 91 91 THR H H 335 8.174 8.880 -0.706 1
1 1049 . 11 1 1 A 91 91 THR HA H 335 5.445 5.069 0.376 1
1 1054 . 11 1 1 A 91 91 THR CA C 335 60.110 61.417 -1.307 1
1 1055 . 11 1 1 A 91 91 THR CB C 335 71.671 72.117 -0.446 1
1 1057 . 11 1 1 A 92 92 VAL H H 336 9.158 8.970 0.188 1
1 1058 . 11 1 1 A 92 92 VAL HA H 336 4.432 4.918 -0.486 1
1 1066 . 11 1 1 A 92 92 VAL C C 336 171.594 172.973 -1.379 1
1 1067 . 11 1 1 A 92 92 VAL CA C 336 60.914 60.520 0.394 1
1 1068 . 11 1 1 A 92 92 VAL CB C 336 35.760 35.573 0.187 1
1 1071 . 11 1 1 A 92 92 VAL N N 336 130.220 122.168 8.052 1
1 1072 . 11 1 1 A 93 93 GLN H H 337 8.302 8.917 -0.615 1
1 1073 . 11 1 1 A 93 93 GLN HA H 337 4.756 5.286 -0.530 1
1 1080 . 11 1 1 A 93 93 GLN C C 337 174.009 174.319 -0.310 1
1 1081 . 11 1 1 A 93 93 GLN CA C 337 54.672 54.608 0.064 1
1 1082 . 11 1 1 A 93 93 GLN CB C 337 30.071 30.979 -0.908 1
1 1084 . 11 1 1 A 93 93 GLN N N 337 133.412 127.329 6.083 1
1 1086 . 11 1 1 A 94 94 LEU H H 338 8.812 9.279 -0.467 1
1 1087 . 11 1 1 A 94 94 LEU HA H 338 4.836 5.088 -0.252 1
1 1097 . 11 1 1 A 94 94 LEU C C 338 175.099 174.492 0.607 1
1 1098 . 11 1 1 A 94 94 LEU CA C 338 53.725 53.759 -0.034 1
1 1099 . 11 1 1 A 94 94 LEU CB C 338 44.955 45.354 -0.399 1
1 1103 . 11 1 1 A 94 94 LEU N N 338 133.816 127.680 6.136 1
1 1104 . 11 1 1 A 95 95 ASP H H 339 8.747 9.330 -0.583 1
1 1105 . 11 1 1 A 95 95 ASP HA H 339 4.871 4.883 -0.012 1
1 1108 . 11 1 1 A 95 95 ASP C C 339 174.295 174.711 -0.416 1
1 1109 . 11 1 1 A 95 95 ASP CA C 339 53.311 52.884 0.427 1
1 1110 . 11 1 1 A 95 95 ASP CB C 339 42.895 40.837 2.058 1
1 1111 . 11 1 1 A 95 95 ASP N N 339 134.770 128.738 6.032 1
1 1112 . 11 1 1 A 96 96 VAL H H 340 7.745 8.190 -0.445 1
1 1113 . 11 1 1 A 96 96 VAL HA H 340 4.653 4.041 0.612 1
1 1121 . 11 1 1 A 96 96 VAL C C 340 175.494 175.555 -0.061 1
1 1122 . 11 1 1 A 96 96 VAL CA C 340 60.722 62.983 -2.261 1
1 1123 . 11 1 1 A 96 96 VAL CB C 340 33.852 31.716 2.136 1
1 1126 . 11 1 1 A 96 96 VAL N N 340 128.328 125.113 3.215 1
1 1127 . 11 1 1 A 97 97 LEU H H 341 8.524 8.815 -0.291 1
1 1128 . 11 1 1 A 97 97 LEU HA H 341 4.243 4.616 -0.373 1
1 1138 . 11 1 1 A 97 97 LEU C C 341 176.052 176.424 -0.372 1
1 1139 . 11 1 1 A 97 97 LEU CA C 341 54.086 54.347 -0.261 1
1 1140 . 11 1 1 A 97 97 LEU CB C 341 41.446 41.033 0.413 1
1 1144 . 11 1 1 A 97 97 LEU N N 341 136.554 129.569 6.985 1
1 1145 . 11 1 1 A 98 98 ALA H H 342 8.344 8.405 -0.061 1
1 1146 . 11 1 1 A 98 98 ALA HA H 342 4.227 4.292 -0.065 1
1 1150 . 11 1 1 A 98 98 ALA C C 342 177.569 176.967 0.602 1
1 1151 . 11 1 1 A 98 98 ALA CA C 342 51.964 52.876 -0.912 1
1 1152 . 11 1 1 A 98 98 ALA CB C 342 19.976 19.270 0.706 1
1 1153 . 11 1 1 A 98 98 ALA N N 342 134.558 127.944 6.614 1
1 1154 . 11 1 1 A 99 99 LYS H H 343 8.552 8.679 -0.127 1
1 1155 . 11 1 1 A 99 99 LYS HA H 343 4.119 4.692 -0.573 1
1 1164 . 11 1 1 A 99 99 LYS C C 343 175.859 175.780 0.079 1
1 1165 . 11 1 1 A 99 99 LYS CA C 343 56.453 55.328 1.125 1
1 1166 . 11 1 1 A 99 99 LYS CB C 343 33.257 32.840 0.417 1
1 1170 . 11 1 1 A 99 99 LYS N N 343 128.906 122.300 6.606 1
1 4 . 12 1 1 A 2 2 ALA HA H -3 4.167 4.402 -0.235 1
1 8 . 12 1 1 A 2 2 ALA C C -3 177.254 177.045 0.209 1
1 9 . 12 1 1 A 2 2 ALA CA C -3 52.427 52.114 0.313 1
1 10 . 12 1 1 A 2 2 ALA CB C -3 19.740 19.994 -0.254 1
1 11 . 12 1 1 A 3 3 MET H H -2 8.135 8.668 -0.533 1
1 12 . 12 1 1 A 3 3 MET HA H -2 4.351 4.972 -0.621 1
1 20 . 12 1 1 A 3 3 MET C C -2 176.007 174.699 1.308 1
1 21 . 12 1 1 A 3 3 MET CA C -2 55.444 53.500 1.944 1
1 22 . 12 1 1 A 3 3 MET CB C -2 34.277 36.053 -1.776 1
1 25 . 12 1 1 A 3 3 MET N N -2 125.628 115.145 10.483 1
1 43 . 12 1 1 A 6 6 PRO HA H 250 4.591 4.710 -0.119 1
1 50 . 12 1 1 A 6 6 PRO C C 250 175.444 175.421 0.023 1
1 51 . 12 1 1 A 6 6 PRO CA C 250 61.829 62.635 -0.806 1
1 52 . 12 1 1 A 6 6 PRO CB C 250 32.464 32.844 -0.380 1
1 55 . 12 1 1 A 7 7 ARG H H 251 7.588 8.816 -1.228 1
1 56 . 12 1 1 A 7 7 ARG HA H 251 4.078 4.755 -0.677 1
1 64 . 12 1 1 A 7 7 ARG C C 251 175.065 174.631 0.434 1
1 65 . 12 1 1 A 7 7 ARG CA C 251 54.552 55.013 -0.461 1
1 66 . 12 1 1 A 7 7 ARG CB C 251 33.587 34.005 -0.418 1
1 69 . 12 1 1 A 7 7 ARG N N 251 124.900 121.815 3.085 1
1 71 . 12 1 1 A 8 8 PHE H H 252 8.893 8.953 -0.060 1
1 72 . 12 1 1 A 8 8 PHE HA H 252 4.708 4.624 0.084 1
1 80 . 12 1 1 A 8 8 PHE CA C 252 59.744 56.404 3.340 1
1 81 . 12 1 1 A 8 8 PHE CB C 252 39.263 36.473 2.790 1
1 85 . 12 1 1 A 8 8 PHE N N 252 128.828 124.796 4.032 1
1 86 . 12 1 1 A 9 9 ILE H H 253 8.223 8.650 -0.427 1
1 87 . 12 1 1 A 9 9 ILE HA H 253 4.090 4.008 0.082 1
1 97 . 12 1 1 A 9 9 ILE C C 253 175.698 176.202 -0.504 1
1 98 . 12 1 1 A 9 9 ILE CA C 253 61.230 64.371 -3.141 1
1 99 . 12 1 1 A 9 9 ILE CB C 253 39.165 38.545 0.620 1
1 103 . 12 1 1 A 9 9 ILE N N 253 128.239 125.215 3.024 1
1 104 . 12 1 1 A 10 10 GLN H H 254 7.437 7.959 -0.522 1
1 105 . 12 1 1 A 10 10 GLN HA H 254 4.450 4.830 -0.380 1
1 112 . 12 1 1 A 10 10 GLN C C 254 174.149 174.166 -0.017 1
1 113 . 12 1 1 A 10 10 GLN CA C 254 56.197 55.521 0.676 1
1 114 . 12 1 1 A 10 10 GLN CB C 254 32.367 32.436 -0.069 1
1 116 . 12 1 1 A 10 10 GLN N N 254 127.323 116.594 10.729 1
1 118 . 12 1 1 A 11 11 VAL H H 255 8.283 8.830 -0.547 1
1 119 . 12 1 1 A 11 11 VAL HA H 255 4.185 4.887 -0.702 1
1 127 . 12 1 1 A 11 11 VAL CA C 255 57.931 57.901 0.030 1
1 128 . 12 1 1 A 11 11 VAL CB C 255 33.230 34.630 -1.400 1
1 131 . 12 1 1 A 11 11 VAL N N 255 126.734 118.583 8.151 1
1 132 . 12 1 1 A 12 12 PRO HA H 256 4.538 4.514 0.024 1
1 139 . 12 1 1 A 12 12 PRO CA C 256 62.209 62.336 -0.127 1
1 140 . 12 1 1 A 12 12 PRO CB C 256 31.724 32.254 -0.530 1
1 143 . 12 1 1 A 13 13 GLU H H 257 7.870 8.623 -0.753 1
1 144 . 12 1 1 A 13 13 GLU HA H 257 4.257 4.568 -0.311 1
1 149 . 12 1 1 A 13 13 GLU CA C 257 54.764 56.055 -1.291 1
1 150 . 12 1 1 A 13 13 GLU CB C 257 31.690 30.800 0.890 1
1 152 . 12 1 1 A 13 13 GLU N N 257 124.369 120.139 4.230 1
1 153 . 12 1 1 A 14 14 ASN H H 258 8.133 8.653 -0.520 1
1 154 . 12 1 1 A 14 14 ASN HA H 258 4.639 4.718 -0.079 1
1 159 . 12 1 1 A 14 14 ASN CA C 258 54.285 53.897 0.388 1
1 160 . 12 1 1 A 14 14 ASN CB C 258 38.023 38.455 -0.432 1
1 161 . 12 1 1 A 14 14 ASN N N 258 123.151 120.619 2.532 1
1 163 . 12 1 1 A 15 15 MET H H 259 8.295 8.769 -0.474 1
1 164 . 12 1 1 A 15 15 MET HA H 259 4.695 4.739 -0.044 1
1 172 . 12 1 1 A 15 15 MET C C 259 174.675 175.476 -0.801 1
1 173 . 12 1 1 A 15 15 MET CA C 259 55.153 54.733 0.420 1
1 174 . 12 1 1 A 15 15 MET CB C 259 38.064 33.639 4.425 1
1 177 . 12 1 1 A 15 15 MET N N 259 125.442 124.600 0.842 1
1 178 . 12 1 1 A 16 16 SER H H 260 8.332 8.741 -0.409 1
1 179 . 12 1 1 A 16 16 SER HA H 260 5.261 5.557 -0.296 1
1 182 . 12 1 1 A 16 16 SER C C 260 172.889 173.431 -0.542 1
1 183 . 12 1 1 A 16 16 SER CA C 260 56.748 56.735 0.013 1
1 184 . 12 1 1 A 16 16 SER CB C 260 64.170 65.879 -1.709 1
1 185 . 12 1 1 A 16 16 SER N N 260 125.417 113.056 12.361 1
1 186 . 12 1 1 A 17 17 ILE H H 261 8.394 8.588 -0.194 1
1 187 . 12 1 1 A 17 17 ILE HA H 261 4.366 4.536 -0.170 1
1 197 . 12 1 1 A 17 17 ILE C C 261 173.465 174.755 -1.290 1
1 198 . 12 1 1 A 17 17 ILE CA C 261 57.461 60.295 -2.834 1
1 199 . 12 1 1 A 17 17 ILE CB C 261 41.882 41.596 0.286 1
1 203 . 12 1 1 A 17 17 ILE N N 261 131.680 124.272 7.408 1
1 204 . 12 1 1 A 18 18 ASP H H 262 8.043 8.725 -0.682 1
1 205 . 12 1 1 A 18 18 ASP HA H 262 4.498 4.519 -0.021 1
1 208 . 12 1 1 A 18 18 ASP C C 262 174.970 175.912 -0.942 1
1 209 . 12 1 1 A 18 18 ASP CA C 262 54.962 54.733 0.229 1
1 210 . 12 1 1 A 18 18 ASP CB C 262 41.518 40.912 0.606 1
1 211 . 12 1 1 A 18 18 ASP N N 262 132.455 127.722 4.733 1
1 212 . 12 1 1 A 19 19 GLU H H 263 8.058 8.751 -0.693 1
1 213 . 12 1 1 A 19 19 GLU HA H 263 3.322 3.914 -0.592 1
1 218 . 12 1 1 A 19 19 GLU C C 263 176.656 177.304 -0.648 1
1 219 . 12 1 1 A 19 19 GLU CA C 263 58.351 58.314 0.037 1
1 220 . 12 1 1 A 19 19 GLU CB C 263 29.716 29.344 0.372 1
1 222 . 12 1 1 A 19 19 GLU N N 263 126.424 124.743 1.681 1
1 223 . 12 1 1 A 20 20 GLY H H 264 9.131 9.039 0.092 1
1 224 . 12 1 1 A 20 20 GLY HA2 H 264 3.366 3.989 -0.623 1
1 225 . 12 1 1 A 20 20 GLY HA3 H 264 4.196 3.991 0.205 1
1 226 . 12 1 1 A 20 20 GLY C C 264 174.582 174.672 -0.090 1
1 227 . 12 1 1 A 20 20 GLY CA C 264 44.837 45.018 -0.181 1
1 228 . 12 1 1 A 20 20 GLY N N 264 119.124 115.165 3.959 1
1 229 . 12 1 1 A 21 21 ARG H H 265 7.192 7.323 -0.131 1
1 230 . 12 1 1 A 21 21 ARG HA H 265 4.377 4.476 -0.099 1
1 238 . 12 1 1 A 21 21 ARG C C 265 174.091 175.795 -1.704 1
1 239 . 12 1 1 A 21 21 ARG CA C 265 55.263 55.946 -0.683 1
1 240 . 12 1 1 A 21 21 ARG CB C 265 31.467 31.774 -0.307 1
1 243 . 12 1 1 A 21 21 ARG N N 265 126.182 120.264 5.918 1
1 245 . 12 1 1 A 22 22 PHE H H 266 7.699 8.802 -1.103 1
1 246 . 12 1 1 A 22 22 PHE HA H 266 4.688 4.940 -0.252 1
1 254 . 12 1 1 A 22 22 PHE C C 266 175.911 175.062 0.849 1
1 255 . 12 1 1 A 22 22 PHE CA C 266 57.132 59.265 -2.133 1
1 256 . 12 1 1 A 22 22 PHE CB C 266 41.270 40.081 1.189 1
1 260 . 12 1 1 A 22 22 PHE N N 266 127.111 122.468 4.643 1
1 261 . 12 1 1 A 23 23 CYS H H 267 8.140 8.263 -0.123 1
1 262 . 12 1 1 A 23 23 CYS HA H 267 4.282 4.971 -0.689 1
1 265 . 12 1 1 A 23 23 CYS C C 267 170.233 172.805 -2.572 1
1 266 . 12 1 1 A 23 23 CYS CA C 267 57.626 58.065 -0.439 1
1 267 . 12 1 1 A 23 23 CYS CB C 267 30.411 32.011 -1.600 1
1 268 . 12 1 1 A 23 23 CYS N N 267 130.194 126.263 3.931 1
1 269 . 12 1 1 A 24 24 ARG H H 268 8.160 8.808 -0.648 1
1 270 . 12 1 1 A 24 24 ARG HA H 268 5.167 5.022 0.145 1
1 278 . 12 1 1 A 24 24 ARG CA C 268 53.910 54.401 -0.491 1
1 279 . 12 1 1 A 24 24 ARG CB C 268 35.114 33.750 1.364 1
1 283 . 12 1 1 A 25 25 MET H H 269 8.839 9.163 -0.324 1
1 284 . 12 1 1 A 25 25 MET HA H 269 4.518 5.259 -0.741 1
1 292 . 12 1 1 A 25 25 MET C C 269 174.090 174.992 -0.902 1
1 293 . 12 1 1 A 25 25 MET CA C 269 54.960 54.130 0.830 1
1 294 . 12 1 1 A 25 25 MET CB C 269 35.645 34.753 0.892 1
1 297 . 12 1 1 A 25 25 MET N N 269 127.757 121.799 5.958 1
1 298 . 12 1 1 A 26 26 ASP H H 270 8.473 8.487 -0.014 1
1 299 . 12 1 1 A 26 26 ASP HA H 270 5.772 5.527 0.245 1
1 302 . 12 1 1 A 26 26 ASP CA C 270 53.157 53.003 0.154 1
1 303 . 12 1 1 A 26 26 ASP CB C 270 43.595 44.395 -0.800 1
1 304 . 12 1 1 A 26 26 ASP N N 270 129.880 119.992 9.888 1
1 305 . 12 1 1 A 27 27 PHE H H 271 9.180 9.370 -0.190 1
1 306 . 12 1 1 A 27 27 PHE HA H 271 5.014 5.010 0.004 1
1 314 . 12 1 1 A 27 27 PHE CA C 271 55.904 56.285 -0.381 1
1 317 . 12 1 1 A 27 27 PHE N N 271 123.116 121.582 1.534 1
1 318 . 12 1 1 A 28 28 LYS H H 272 9.221 8.800 0.421 1
1 327 . 12 1 1 A 28 28 LYS CA C 272 59.294 56.586 2.708 1
1 328 . 12 1 1 A 28 28 LYS CB C 272 38.090 32.777 5.313 1
1 332 . 12 1 1 A 28 28 LYS N N 272 131.321 125.078 6.243 1
1 333 . 12 1 1 A 29 29 VAL H H 273 8.304 8.617 -0.313 1
1 334 . 12 1 1 A 29 29 VAL HA H 273 4.331 4.848 -0.517 1
1 342 . 12 1 1 A 29 29 VAL C C 273 175.240 173.650 1.590 1
1 343 . 12 1 1 A 29 29 VAL CA C 273 61.020 60.225 0.795 1
1 344 . 12 1 1 A 29 29 VAL CB C 273 33.889 34.982 -1.093 1
1 347 . 12 1 1 A 30 30 SER H H 274 8.545 8.760 -0.215 1
1 348 . 12 1 1 A 30 30 SER HA H 274 4.647 5.366 -0.719 1
1 351 . 12 1 1 A 30 30 SER C C 274 172.993 173.776 -0.783 1
1 352 . 12 1 1 A 30 30 SER CA C 274 56.505 57.337 -0.832 1
1 353 . 12 1 1 A 30 30 SER CB C 274 65.805 65.623 0.182 1
1 354 . 12 1 1 A 30 30 SER N N 274 129.796 125.076 4.720 1
1 355 . 12 1 1 A 31 31 GLY H H 275 7.712 8.575 -0.863 1
1 356 . 12 1 1 A 31 31 GLY HA2 H 275 3.220 4.344 -1.124 1
1 357 . 12 1 1 A 31 31 GLY HA3 H 275 3.649 4.351 -0.702 1
1 358 . 12 1 1 A 31 31 GLY C C 275 170.984 172.065 -1.081 1
1 359 . 12 1 1 A 31 31 GLY CA C 275 45.099 45.446 -0.347 1
1 360 . 12 1 1 A 31 31 GLY N N 275 115.009 112.122 2.887 1
1 361 . 12 1 1 A 32 32 LEU H H 276 7.668 8.638 -0.970 1
1 362 . 12 1 1 A 32 32 LEU HA H 276 4.301 4.847 -0.546 1
1 372 . 12 1 1 A 32 32 LEU C C 276 173.812 174.745 -0.933 1
1 373 . 12 1 1 A 32 32 LEU CA C 276 52.370 51.371 0.999 1
1 374 . 12 1 1 A 32 32 LEU CB C 276 45.554 45.638 -0.084 1
1 378 . 12 1 1 A 32 32 LEU N N 276 129.727 121.118 8.609 1
1 379 . 12 1 1 A 33 33 PRO HA H 277 4.416 4.601 -0.185 1
1 386 . 12 1 1 A 33 33 PRO CA C 277 62.576 62.392 0.184 1
1 387 . 12 1 1 A 33 33 PRO CB C 277 35.012 32.596 2.416 1
1 390 . 12 1 1 A 34 34 ALA H H 278 8.598 8.328 0.270 1
1 391 . 12 1 1 A 34 34 ALA HA H 278 4.153 4.288 -0.135 1
1 395 . 12 1 1 A 34 34 ALA CA C 278 50.822 50.704 0.118 1
1 396 . 12 1 1 A 34 34 ALA CB C 278 17.462 19.070 -1.608 1
1 397 . 12 1 1 A 34 34 ALA N N 278 131.518 124.696 6.822 1
1 398 . 12 1 1 A 35 35 PRO HA H 279 4.206 4.479 -0.273 1
1 405 . 12 1 1 A 35 35 PRO C C 279 175.701 175.957 -0.256 1
1 406 . 12 1 1 A 35 35 PRO CA C 279 62.628 62.517 0.111 1
1 407 . 12 1 1 A 35 35 PRO CB C 279 33.069 32.006 1.063 1
1 410 . 12 1 1 A 36 36 ASP H H 280 8.621 8.421 0.200 1
1 411 . 12 1 1 A 36 36 ASP HA H 280 4.659 4.718 -0.059 1
1 414 . 12 1 1 A 36 36 ASP C C 280 176.057 175.804 0.253 1
1 415 . 12 1 1 A 36 36 ASP CA C 280 54.307 54.108 0.199 1
1 416 . 12 1 1 A 36 36 ASP CB C 280 42.741 41.779 0.962 1
1 417 . 12 1 1 A 36 36 ASP N N 280 127.555 121.911 5.644 1
1 418 . 12 1 1 A 37 37 VAL H H 281 8.635 8.960 -0.325 1
1 419 . 12 1 1 A 37 37 VAL HA H 281 4.938 4.989 -0.051 1
1 427 . 12 1 1 A 37 37 VAL CA C 281 61.135 59.799 1.336 1
1 428 . 12 1 1 A 37 37 VAL CB C 281 34.579 34.993 -0.414 1
1 431 . 12 1 1 A 38 38 SER H H 282 8.591 8.489 0.102 1
1 432 . 12 1 1 A 38 38 SER HA H 282 4.518 5.273 -0.755 1
1 435 . 12 1 1 A 38 38 SER CA C 282 57.540 57.101 0.439 1
1 436 . 12 1 1 A 38 38 SER CB C 282 66.530 66.276 0.254 1
1 437 . 12 1 1 A 38 38 SER N N 282 128.264 119.968 8.296 1
1 438 . 12 1 1 A 39 39 TRP H H 283 8.426 8.727 -0.301 1
1 439 . 12 1 1 A 39 39 TRP HA H 283 5.297 5.587 -0.290 1
1 448 . 12 1 1 A 39 39 TRP CA C 283 56.298 56.069 0.229 1
1 449 . 12 1 1 A 39 39 TRP CB C 283 33.153 32.375 0.778 1
1 455 . 12 1 1 A 39 39 TRP N N 283 127.698 124.727 2.971 1
1 456 . 12 1 1 A 40 40 TYR H H 284 9.373 9.228 0.145 1
1 457 . 12 1 1 A 40 40 TYR HA H 284 4.903 5.373 -0.470 1
1 464 . 12 1 1 A 40 40 TYR C C 284 174.148 174.607 -0.459 1
1 465 . 12 1 1 A 40 40 TYR CA C 284 56.849 56.338 0.511 1
1 466 . 12 1 1 A 40 40 TYR CB C 284 42.754 43.251 -0.497 1
1 469 . 12 1 1 A 40 40 TYR N N 284 125.437 119.562 5.875 1
1 470 . 12 1 1 A 41 41 LEU H H 285 8.898 9.165 -0.267 1
1 471 . 12 1 1 A 41 41 LEU HA H 285 4.255 4.623 -0.368 1
1 481 . 12 1 1 A 41 41 LEU C C 285 176.606 175.468 1.138 1
1 482 . 12 1 1 A 41 41 LEU CA C 285 53.659 53.998 -0.339 1
1 483 . 12 1 1 A 41 41 LEU CB C 285 43.740 44.776 -1.036 1
1 487 . 12 1 1 A 41 41 LEU N N 285 129.512 122.573 6.939 1
1 488 . 12 1 1 A 42 42 ASN H H 286 9.454 9.415 0.039 1
1 489 . 12 1 1 A 42 42 ASN HA H 286 4.221 4.415 -0.194 1
1 494 . 12 1 1 A 42 42 ASN C C 286 175.692 175.283 0.409 1
1 495 . 12 1 1 A 42 42 ASN CA C 286 54.239 54.335 -0.096 1
1 496 . 12 1 1 A 42 42 ASN CB C 286 37.331 36.873 0.458 1
1 497 . 12 1 1 A 42 42 ASN N N 286 134.097 126.373 7.724 1
1 499 . 12 1 1 A 43 43 GLY H H 287 8.709 8.338 0.371 1
1 500 . 12 1 1 A 43 43 GLY HA2 H 287 3.356 3.987 -0.631 1
1 501 . 12 1 1 A 43 43 GLY HA3 H 287 3.995 3.995 0.000 1
1 502 . 12 1 1 A 43 43 GLY C C 287 173.786 174.662 -0.876 1
1 503 . 12 1 1 A 43 43 GLY CA C 287 45.450 45.115 0.335 1
1 504 . 12 1 1 A 43 43 GLY N N 287 108.807 104.984 3.823 1
1 505 . 12 1 1 A 44 44 ARG H H 288 7.902 7.539 0.363 1
1 506 . 12 1 1 A 44 44 ARG HA H 288 4.697 4.663 0.034 1
1 514 . 12 1 1 A 44 44 ARG C C 288 175.799 176.287 -0.488 1
1 515 . 12 1 1 A 44 44 ARG CA C 288 54.658 54.870 -0.212 1
1 516 . 12 1 1 A 44 44 ARG CB C 288 32.436 31.668 0.768 1
1 519 . 12 1 1 A 44 44 ARG N N 288 127.837 120.261 7.576 1
1 521 . 12 1 1 A 45 45 THR H H 289 8.539 8.607 -0.068 1
1 522 . 12 1 1 A 45 45 THR HA H 289 3.763 4.374 -0.611 1
1 527 . 12 1 1 A 45 45 THR C C 289 174.692 174.327 0.365 1
1 528 . 12 1 1 A 45 45 THR CA C 289 63.977 61.354 2.623 1
1 529 . 12 1 1 A 45 45 THR CB C 289 69.706 69.998 -0.292 1
1 531 . 12 1 1 A 45 45 THR N N 289 126.100 113.948 12.152 1
1 532 . 12 1 1 A 46 46 VAL H H 290 8.033 8.419 -0.386 1
1 533 . 12 1 1 A 46 46 VAL HA H 290 3.647 4.520 -0.873 1
1 541 . 12 1 1 A 46 46 VAL C C 290 174.672 175.322 -0.650 1
1 542 . 12 1 1 A 46 46 VAL CA C 290 62.458 61.552 0.906 1
1 543 . 12 1 1 A 46 46 VAL CB C 290 32.500 34.398 -1.898 1
1 546 . 12 1 1 A 46 46 VAL N N 290 134.795 121.317 13.478 1
1 547 . 12 1 1 A 47 47 GLN H H 291 8.124 8.727 -0.603 1
1 548 . 12 1 1 A 47 47 GLN HA H 291 4.281 4.470 -0.189 1
1 555 . 12 1 1 A 47 47 GLN C C 291 175.398 175.341 0.057 1
1 556 . 12 1 1 A 47 47 GLN CA C 291 54.235 55.666 -1.431 1
1 557 . 12 1 1 A 47 47 GLN CB C 291 30.283 29.751 0.532 1
1 559 . 12 1 1 A 47 47 GLN N N 291 132.792 127.151 5.641 1
1 561 . 12 1 1 A 48 48 SER H H 292 8.280 8.535 -0.255 1
1 562 . 12 1 1 A 48 48 SER HA H 292 4.308 4.442 -0.134 1
1 565 . 12 1 1 A 48 48 SER C C 292 174.304 173.758 0.546 1
1 566 . 12 1 1 A 48 48 SER CA C 292 58.222 58.213 0.009 1
1 567 . 12 1 1 A 48 48 SER CB C 292 63.719 63.934 -0.215 1
1 568 . 12 1 1 A 48 48 SER N N 292 123.481 116.255 7.226 1
1 569 . 12 1 1 A 49 49 ASP H H 293 9.050 8.648 0.402 1
1 570 . 12 1 1 A 49 49 ASP HA H 293 4.482 4.905 -0.423 1
1 573 . 12 1 1 A 49 49 ASP C C 293 176.099 175.657 0.442 1
1 574 . 12 1 1 A 49 49 ASP CA C 293 53.668 53.147 0.521 1
1 575 . 12 1 1 A 49 49 ASP CB C 293 40.100 42.467 -2.367 1
1 576 . 12 1 1 A 49 49 ASP N N 293 131.157 120.740 10.417 1
1 577 . 12 1 1 A 50 50 ASP H H 294 8.324 8.736 -0.412 1
1 578 . 12 1 1 A 50 50 ASP HA H 294 4.167 4.301 -0.134 1
1 581 . 12 1 1 A 50 50 ASP C C 294 176.520 177.600 -1.080 1
1 582 . 12 1 1 A 50 50 ASP CA C 294 57.367 56.823 0.544 1
1 583 . 12 1 1 A 50 50 ASP CB C 294 40.226 40.540 -0.314 1
1 584 . 12 1 1 A 50 50 ASP N N 294 122.206 118.170 4.036 1
1 585 . 12 1 1 A 51 51 LEU H H 295 7.749 7.737 0.012 1
1 586 . 12 1 1 A 51 51 LEU HA H 295 4.281 4.192 0.089 1
1 596 . 12 1 1 A 51 51 LEU C C 295 175.716 176.496 -0.780 1
1 597 . 12 1 1 A 51 51 LEU CA C 295 54.407 54.981 -0.574 1
1 598 . 12 1 1 A 51 51 LEU CB C 295 43.849 42.299 1.550 1
1 602 . 12 1 1 A 51 51 LEU N N 295 121.836 117.727 4.109 1
1 603 . 12 1 1 A 52 52 HIS H H 296 7.548 7.635 -0.087 1
1 604 . 12 1 1 A 52 52 HIS HA H 296 5.091 4.782 0.309 1
1 609 . 12 1 1 A 52 52 HIS C C 296 172.683 173.894 -1.211 1
1 610 . 12 1 1 A 52 52 HIS CA C 296 54.900 53.855 1.045 1
1 611 . 12 1 1 A 52 52 HIS CB C 296 28.894 29.190 -0.296 1
1 614 . 12 1 1 A 52 52 HIS N N 296 126.326 116.050 10.276 1
1 615 . 12 1 1 A 53 53 LYS H H 297 8.515 8.447 0.068 1
1 616 . 12 1 1 A 53 53 LYS HA H 297 4.608 4.269 0.339 1
1 625 . 12 1 1 A 53 53 LYS C C 297 174.797 175.708 -0.911 1
1 626 . 12 1 1 A 53 53 LYS CA C 297 54.303 56.684 -2.381 1
1 627 . 12 1 1 A 53 53 LYS CB C 297 35.705 33.154 2.551 1
1 631 . 12 1 1 A 53 53 LYS N N 297 127.067 122.126 4.941 1
1 632 . 12 1 1 A 54 54 MET H H 298 8.379 8.848 -0.469 1
1 633 . 12 1 1 A 54 54 MET HA H 298 5.091 5.169 -0.078 1
1 641 . 12 1 1 A 54 54 MET CA C 298 55.427 54.838 0.589 1
1 642 . 12 1 1 A 54 54 MET CB C 298 34.100 35.721 -1.621 1
1 645 . 12 1 1 A 54 54 MET N N 298 128.992 120.756 8.236 1
1 646 . 12 1 1 A 55 55 ILE H H 299 8.279 8.756 -0.477 1
1 647 . 12 1 1 A 55 55 ILE HA H 299 4.602 5.188 -0.586 1
1 657 . 12 1 1 A 55 55 ILE CA C 299 59.130 59.170 -0.040 1
1 658 . 12 1 1 A 55 55 ILE CB C 299 42.747 42.399 0.348 1
1 662 . 12 1 1 A 56 56 VAL H H 300 9.227 8.649 0.578 1
1 663 . 12 1 1 A 56 56 VAL HA H 300 4.912 4.642 0.270 1
1 671 . 12 1 1 A 56 56 VAL CA C 300 59.226 61.558 -2.332 1
1 672 . 12 1 1 A 56 56 VAL CB C 300 36.406 33.913 2.493 1
1 675 . 12 1 1 A 57 57 SER H H 301 8.794 8.747 0.047 1
1 676 . 12 1 1 A 57 57 SER HA H 301 4.575 4.493 0.082 1
1 679 . 12 1 1 A 57 57 SER CA C 301 56.558 58.466 -1.908 1
1 680 . 12 1 1 A 57 57 SER CB C 301 65.617 64.219 1.398 1
1 681 . 12 1 1 A 57 57 SER N N 301 128.893 123.626 5.267 1
1 682 . 12 1 1 A 58 58 GLU HA H 302 4.013 3.972 0.041 1
1 687 . 12 1 1 A 58 58 GLU CA C 302 58.165 57.335 0.830 1
1 688 . 12 1 1 A 58 58 GLU CB C 302 29.508 29.731 -0.223 1
1 690 . 12 1 1 A 59 59 LYS HA H 303 4.114 3.970 0.144 1
1 699 . 12 1 1 A 59 59 LYS C C 303 176.755 176.820 -0.065 1
1 700 . 12 1 1 A 59 59 LYS CA C 303 55.913 57.484 -1.571 1
1 701 . 12 1 1 A 59 59 LYS CB C 303 31.679 30.489 1.190 1
1 705 . 12 1 1 A 60 60 GLY H H 304 7.813 8.627 -0.814 1
1 706 . 12 1 1 A 60 60 GLY HA2 H 304 4.037 3.971 0.066 1
1 707 . 12 1 1 A 60 60 GLY HA3 H 304 3.411 3.977 -0.566 1
1 708 . 12 1 1 A 60 60 GLY C C 304 173.480 174.091 -0.611 1
1 709 . 12 1 1 A 60 60 GLY CA C 304 45.955 46.669 -0.714 1
1 710 . 12 1 1 A 60 60 GLY N N 304 113.597 105.376 8.221 1
1 711 . 12 1 1 A 61 61 LEU H H 305 7.253 7.412 -0.159 1
1 712 . 12 1 1 A 61 61 LEU HA H 305 4.396 4.968 -0.572 1
1 722 . 12 1 1 A 61 61 LEU CA C 305 54.825 53.963 0.862 1
1 723 . 12 1 1 A 61 61 LEU CB C 305 43.099 44.365 -1.266 1
1 727 . 12 1 1 A 61 61 LEU N N 305 128.081 120.491 7.590 1
1 728 . 12 1 1 A 62 62 HIS H H 306 8.294 9.038 -0.744 1
1 733 . 12 1 1 A 62 62 HIS N N 306 130.344 127.677 2.667 1
1 734 . 12 1 1 A 63 63 SER HA H 307 5.980 5.362 0.618 1
1 737 . 12 1 1 A 63 63 SER CA C 307 57.517 57.132 0.385 1
1 738 . 12 1 1 A 63 63 SER CB C 307 66.760 65.900 0.860 1
1 739 . 12 1 1 A 64 64 LEU H H 308 8.827 8.421 0.406 1
1 740 . 12 1 1 A 64 64 LEU HA H 308 4.657 4.488 0.169 1
1 750 . 12 1 1 A 64 64 LEU C C 308 174.337 174.644 -0.307 1
1 751 . 12 1 1 A 64 64 LEU CA C 308 54.386 53.803 0.583 1
1 752 . 12 1 1 A 64 64 LEU CB C 308 42.678 44.761 -2.083 1
1 756 . 12 1 1 A 65 65 ILE H H 309 9.009 8.881 0.128 1
1 757 . 12 1 1 A 65 65 ILE HA H 309 3.880 4.712 -0.832 1
1 767 . 12 1 1 A 65 65 ILE C C 309 173.963 174.897 -0.934 1
1 768 . 12 1 1 A 65 65 ILE CA C 309 60.296 59.868 0.428 1
1 769 . 12 1 1 A 65 65 ILE CB C 309 40.727 40.742 -0.015 1
1 773 . 12 1 1 A 65 65 ILE N N 309 133.046 127.601 5.445 1
1 774 . 12 1 1 A 66 66 PHE H H 310 8.508 8.664 -0.156 1
1 775 . 12 1 1 A 66 66 PHE HA H 310 4.367 4.954 -0.587 1
1 783 . 12 1 1 A 66 66 PHE C C 310 174.555 175.679 -1.124 1
1 784 . 12 1 1 A 66 66 PHE CA C 310 54.878 55.953 -1.075 1
1 785 . 12 1 1 A 66 66 PHE CB C 310 38.819 40.350 -1.531 1
1 789 . 12 1 1 A 66 66 PHE N N 310 132.294 123.699 8.595 1
1 790 . 12 1 1 A 67 67 GLU H H 311 7.879 8.722 -0.843 1
1 791 . 12 1 1 A 67 67 GLU HA H 311 4.025 4.418 -0.393 1
1 796 . 12 1 1 A 67 67 GLU C C 311 177.819 177.194 0.625 1
1 797 . 12 1 1 A 67 67 GLU CA C 311 59.266 59.243 0.023 1
1 798 . 12 1 1 A 67 67 GLU CB C 311 30.421 30.612 -0.191 1
1 800 . 12 1 1 A 67 67 GLU N N 311 127.092 123.989 3.103 1
1 801 . 12 1 1 A 68 68 VAL H H 312 7.428 7.602 -0.174 1
1 802 . 12 1 1 A 68 68 VAL HA H 312 3.402 4.528 -1.126 1
1 810 . 12 1 1 A 68 68 VAL C C 312 173.921 173.984 -0.063 1
1 811 . 12 1 1 A 68 68 VAL CA C 312 61.444 61.022 0.422 1
1 812 . 12 1 1 A 68 68 VAL CB C 312 34.790 33.132 1.658 1
1 815 . 12 1 1 A 68 68 VAL N N 312 120.315 116.833 3.482 1
1 816 . 12 1 1 A 69 69 VAL H H 313 8.233 8.614 -0.381 1
1 817 . 12 1 1 A 69 69 VAL HA H 313 3.829 4.384 -0.555 1
1 825 . 12 1 1 A 69 69 VAL C C 313 175.123 175.120 0.003 1
1 826 . 12 1 1 A 69 69 VAL CA C 313 63.200 62.328 0.872 1
1 827 . 12 1 1 A 69 69 VAL CB C 313 32.836 32.489 0.347 1
1 830 . 12 1 1 A 69 69 VAL N N 313 132.928 129.017 3.911 1
1 831 . 12 1 1 A 70 70 ARG H H 314 9.259 8.915 0.344 1
1 832 . 12 1 1 A 70 70 ARG HA H 314 4.776 4.722 0.054 1
1 839 . 12 1 1 A 70 70 ARG C C 314 177.491 176.573 0.918 1
1 840 . 12 1 1 A 70 70 ARG CA C 314 53.728 53.830 -0.102 1
1 841 . 12 1 1 A 70 70 ARG CB C 314 34.282 33.007 1.275 1
1 844 . 12 1 1 A 70 70 ARG N N 314 133.209 127.351 5.858 1
1 845 . 12 1 1 A 71 71 ALA H H 315 9.059 9.092 -0.033 1
1 846 . 12 1 1 A 71 71 ALA HA H 315 3.676 3.992 -0.316 1
1 850 . 12 1 1 A 71 71 ALA C C 315 180.122 179.643 0.479 1
1 851 . 12 1 1 A 71 71 ALA CA C 315 56.356 55.125 1.231 1
1 852 . 12 1 1 A 71 71 ALA CB C 315 17.923 18.410 -0.487 1
1 853 . 12 1 1 A 71 71 ALA N N 315 131.839 124.403 7.436 1
1 854 . 12 1 1 A 72 72 SER H H 316 7.735 7.975 -0.240 1
1 855 . 12 1 1 A 72 72 SER HA H 316 4.046 4.249 -0.203 1
1 858 . 12 1 1 A 72 72 SER C C 316 175.495 174.527 0.968 1
1 859 . 12 1 1 A 72 72 SER CA C 316 60.037 61.275 -1.238 1
1 860 . 12 1 1 A 72 72 SER CB C 316 62.381 63.188 -0.807 1
1 861 . 12 1 1 A 72 72 SER N N 316 115.841 113.793 2.048 1
1 862 . 12 1 1 A 73 73 ASP H H 317 8.175 7.966 0.209 1
1 863 . 12 1 1 A 73 73 ASP HA H 317 4.644 4.768 -0.124 1
1 866 . 12 1 1 A 73 73 ASP C C 317 176.176 176.171 0.005 1
1 867 . 12 1 1 A 73 73 ASP CA C 317 55.305 54.677 0.628 1
1 868 . 12 1 1 A 73 73 ASP CB C 317 42.572 41.405 1.167 1
1 869 . 12 1 1 A 73 73 ASP N N 317 126.327 119.074 7.253 1
1 870 . 12 1 1 A 74 74 ALA H H 318 7.339 6.901 0.438 1
1 871 . 12 1 1 A 74 74 ALA HA H 318 4.013 4.220 -0.207 1
1 875 . 12 1 1 A 74 74 ALA C C 318 176.813 177.177 -0.364 1
1 876 . 12 1 1 A 74 74 ALA CA C 318 53.570 53.029 0.541 1
1 877 . 12 1 1 A 74 74 ALA CB C 318 20.548 20.590 -0.042 1
1 878 . 12 1 1 A 74 74 ALA N N 318 127.859 121.900 5.959 1
1 879 . 12 1 1 A 75 75 GLY H H 319 8.797 8.582 0.215 1
1 880 . 12 1 1 A 75 75 GLY HA2 H 319 3.599 4.094 -0.495 1
1 881 . 12 1 1 A 75 75 GLY HA3 H 319 4.239 4.157 0.082 1
1 882 . 12 1 1 A 75 75 GLY C C 319 170.102 172.026 -1.924 1
1 883 . 12 1 1 A 75 75 GLY CA C 319 45.105 44.325 0.780 1
1 884 . 12 1 1 A 75 75 GLY N N 319 114.261 107.141 7.120 1
1 885 . 12 1 1 A 76 76 ALA H H 320 7.621 8.147 -0.526 1
1 886 . 12 1 1 A 76 76 ALA HA H 320 4.521 4.631 -0.110 1
1 890 . 12 1 1 A 76 76 ALA C C 320 176.291 176.402 -0.111 1
1 891 . 12 1 1 A 76 76 ALA CA C 320 51.158 51.502 -0.344 1
1 892 . 12 1 1 A 76 76 ALA CB C 320 19.242 19.205 0.037 1
1 893 . 12 1 1 A 76 76 ALA N N 320 129.042 122.974 6.068 1
1 894 . 12 1 1 A 77 77 TYR H H 321 9.406 8.982 0.424 1
1 895 . 12 1 1 A 77 77 TYR HA H 321 5.237 5.198 0.039 1
1 903 . 12 1 1 A 77 77 TYR C C 321 175.676 176.114 -0.438 1
1 904 . 12 1 1 A 77 77 TYR CA C 321 57.779 58.239 -0.460 1
1 905 . 12 1 1 A 77 77 TYR CB C 321 40.623 40.087 0.536 1
1 908 . 12 1 1 A 77 77 TYR N N 321 132.635 124.698 7.937 1
1 909 . 12 1 1 A 78 78 ALA H H 322 9.084 9.019 0.065 1
1 910 . 12 1 1 A 78 78 ALA HA H 322 5.031 5.278 -0.247 1
1 914 . 12 1 1 A 78 78 ALA CA C 322 50.120 51.345 -1.225 1
1 915 . 12 1 1 A 78 78 ALA CB C 322 21.653 24.032 -2.379 1
1 916 . 12 1 1 A 78 78 ALA N N 322 130.291 122.085 8.206 1
1 917 . 12 1 1 A 79 79 CYS H H 323 7.932 8.990 -1.058 1
1 918 . 12 1 1 A 79 79 CYS HA H 323 4.037 4.975 -0.938 1
1 919 . 12 1 1 A 79 79 CYS C C 323 173.727 172.950 0.777 1
1 920 . 12 1 1 A 79 79 CYS CA C 323 56.345 56.985 -0.640 1
1 921 . 12 1 1 A 80 80 VAL H H 324 8.671 8.928 -0.257 1
1 922 . 12 1 1 A 80 80 VAL HA H 324 4.596 4.858 -0.262 1
1 930 . 12 1 1 A 80 80 VAL C C 324 174.904 174.463 0.441 1
1 931 . 12 1 1 A 80 80 VAL CA C 324 60.907 60.688 0.219 1
1 932 . 12 1 1 A 80 80 VAL CB C 324 34.334 34.183 0.151 1
1 934 . 12 1 1 A 80 80 VAL N N 324 135.079 125.351 9.728 1
1 935 . 12 1 1 A 81 81 ALA H H 325 9.107 9.083 0.024 1
1 936 . 12 1 1 A 81 81 ALA HA H 325 5.220 5.450 -0.230 1
1 940 . 12 1 1 A 81 81 ALA C C 325 175.446 176.021 -0.575 1
1 941 . 12 1 1 A 81 81 ALA CA C 325 49.197 49.999 -0.802 1
1 942 . 12 1 1 A 81 81 ALA CB C 325 22.479 21.526 0.953 1
1 943 . 12 1 1 A 81 81 ALA N N 325 136.369 129.555 6.814 1
1 944 . 12 1 1 A 82 82 LYS H H 326 8.734 8.938 -0.204 1
1 945 . 12 1 1 A 82 82 LYS HA H 326 5.021 5.203 -0.182 1
1 954 . 12 1 1 A 82 82 LYS C C 326 175.054 175.348 -0.294 1
1 955 . 12 1 1 A 82 82 LYS CA C 326 55.451 54.691 0.760 1
1 956 . 12 1 1 A 82 82 LYS CB C 326 37.852 36.076 1.776 1
1 960 . 12 1 1 A 82 82 LYS N N 326 128.038 122.626 5.412 1
1 961 . 12 1 1 A 83 83 ASN H H 327 8.949 8.703 0.246 1
1 962 . 12 1 1 A 83 83 ASN HA H 327 4.624 5.110 -0.486 1
1 967 . 12 1 1 A 83 83 ASN C C 327 176.409 175.606 0.803 1
1 968 . 12 1 1 A 83 83 ASN CA C 327 51.838 51.292 0.546 1
1 969 . 12 1 1 A 83 83 ASN CB C 327 40.927 39.769 1.158 1
1 970 . 12 1 1 A 83 83 ASN N N 327 128.769 121.535 7.234 1
1 972 . 12 1 1 A 84 84 ARG H H 328 8.203 9.118 -0.915 1
1 973 . 12 1 1 A 84 84 ARG HA H 328 3.917 4.082 -0.165 1
1 981 . 12 1 1 A 84 84 ARG C C 328 175.820 176.107 -0.287 1
1 982 . 12 1 1 A 84 84 ARG CA C 328 58.250 58.069 0.181 1
1 983 . 12 1 1 A 84 84 ARG CB C 328 29.985 29.652 0.333 1
1 986 . 12 1 1 A 84 84 ARG N N 328 121.021 117.819 3.202 1
1 988 . 12 1 1 A 85 85 ALA H H 329 7.599 8.078 -0.479 1
1 989 . 12 1 1 A 85 85 ALA HA H 329 4.279 4.495 -0.216 1
1 993 . 12 1 1 A 85 85 ALA C C 329 177.261 177.051 0.210 1
1 994 . 12 1 1 A 85 85 ALA CA C 329 51.905 51.824 0.081 1
1 995 . 12 1 1 A 85 85 ALA CB C 329 19.637 20.608 -0.971 1
1 996 . 12 1 1 A 85 85 ALA N N 329 125.074 121.743 3.331 1
1 997 . 12 1 1 A 86 86 GLY H H 330 7.624 7.111 0.513 1
1 998 . 12 1 1 A 86 86 GLY HA2 H 330 3.806 4.066 -0.260 1
1 999 . 12 1 1 A 86 86 GLY HA3 H 330 4.164 4.068 0.096 1
1 1000 . 12 1 1 A 86 86 GLY C C 330 169.646 170.851 -1.205 1
1 1001 . 12 1 1 A 86 86 GLY CA C 330 46.012 45.875 0.137 1
1 1002 . 12 1 1 A 86 86 GLY N N 330 112.891 103.663 9.228 1
1 1003 . 12 1 1 A 87 87 GLU H H 331 8.213 8.485 -0.272 1
1 1004 . 12 1 1 A 87 87 GLU HA H 331 5.274 5.363 -0.089 1
1 1009 . 12 1 1 A 87 87 GLU C C 331 174.418 174.650 -0.232 1
1 1010 . 12 1 1 A 87 87 GLU CA C 331 54.349 54.882 -0.533 1
1 1011 . 12 1 1 A 87 87 GLU CB C 331 34.615 33.623 0.992 1
1 1013 . 12 1 1 A 87 87 GLU N N 331 123.208 120.247 2.961 1
1 1014 . 12 1 1 A 88 88 ALA H H 332 8.897 8.831 0.066 1
1 1015 . 12 1 1 A 88 88 ALA HA H 332 4.569 4.610 -0.041 1
1 1019 . 12 1 1 A 88 88 ALA C C 332 175.121 174.844 0.277 1
1 1020 . 12 1 1 A 88 88 ALA CA C 332 51.592 50.142 1.450 1
1 1021 . 12 1 1 A 88 88 ALA CB C 332 23.324 23.265 0.059 1
1 1022 . 12 1 1 A 88 88 ALA N N 332 131.757 125.773 5.984 1
1 1023 . 12 1 1 A 89 89 THR H H 333 8.521 7.486 1.035 1
1 1024 . 12 1 1 A 89 89 THR HA H 333 5.661 5.226 0.435 1
1 1029 . 12 1 1 A 89 89 THR C C 333 173.827 173.115 0.712 1
1 1030 . 12 1 1 A 89 89 THR CA C 333 60.601 60.792 -0.191 1
1 1031 . 12 1 1 A 89 89 THR CB C 333 72.140 72.219 -0.079 1
1 1033 . 12 1 1 A 89 89 THR N N 333 121.100 113.795 7.305 1
1 1034 . 12 1 1 A 90 90 PHE H H 334 8.603 8.936 -0.333 1
1 1035 . 12 1 1 A 90 90 PHE HA H 334 4.624 5.268 -0.644 1
1 1043 . 12 1 1 A 90 90 PHE CA C 334 56.618 56.381 0.237 1
1 1044 . 12 1 1 A 90 90 PHE CB C 334 42.489 42.970 -0.481 1
1 1048 . 12 1 1 A 91 91 THR H H 335 8.174 8.925 -0.751 1
1 1049 . 12 1 1 A 91 91 THR HA H 335 5.445 5.292 0.153 1
1 1054 . 12 1 1 A 91 91 THR CA C 335 60.110 61.437 -1.327 1
1 1055 . 12 1 1 A 91 91 THR CB C 335 71.671 72.425 -0.754 1
1 1057 . 12 1 1 A 92 92 VAL H H 336 9.158 9.009 0.149 1
1 1058 . 12 1 1 A 92 92 VAL HA H 336 4.432 4.911 -0.479 1
1 1066 . 12 1 1 A 92 92 VAL C C 336 171.594 173.472 -1.878 1
1 1067 . 12 1 1 A 92 92 VAL CA C 336 60.914 60.532 0.382 1
1 1068 . 12 1 1 A 92 92 VAL CB C 336 35.760 35.668 0.092 1
1 1071 . 12 1 1 A 92 92 VAL N N 336 130.220 123.043 7.177 1
1 1072 . 12 1 1 A 93 93 GLN H H 337 8.302 8.807 -0.505 1
1 1073 . 12 1 1 A 93 93 GLN HA H 337 4.756 4.987 -0.231 1
1 1080 . 12 1 1 A 93 93 GLN C C 337 174.009 174.630 -0.621 1
1 1081 . 12 1 1 A 93 93 GLN CA C 337 54.672 55.190 -0.518 1
1 1082 . 12 1 1 A 93 93 GLN CB C 337 30.071 30.286 -0.215 1
1 1084 . 12 1 1 A 93 93 GLN N N 337 133.412 127.957 5.455 1
1 1086 . 12 1 1 A 94 94 LEU H H 338 8.812 9.328 -0.516 1
1 1087 . 12 1 1 A 94 94 LEU HA H 338 4.836 5.003 -0.167 1
1 1097 . 12 1 1 A 94 94 LEU C C 338 175.099 174.750 0.349 1
1 1098 . 12 1 1 A 94 94 LEU CA C 338 53.725 53.648 0.077 1
1 1099 . 12 1 1 A 94 94 LEU CB C 338 44.955 44.607 0.348 1
1 1103 . 12 1 1 A 94 94 LEU N N 338 133.816 127.863 5.953 1
1 1104 . 12 1 1 A 95 95 ASP H H 339 8.747 8.890 -0.143 1
1 1105 . 12 1 1 A 95 95 ASP HA H 339 4.871 4.919 -0.048 1
1 1108 . 12 1 1 A 95 95 ASP C C 339 174.295 175.200 -0.905 1
1 1109 . 12 1 1 A 95 95 ASP CA C 339 53.311 53.468 -0.157 1
1 1110 . 12 1 1 A 95 95 ASP CB C 339 42.895 39.995 2.900 1
1 1111 . 12 1 1 A 95 95 ASP N N 339 134.770 127.660 7.110 1
1 1112 . 12 1 1 A 96 96 VAL H H 340 7.745 8.270 -0.525 1
1 1113 . 12 1 1 A 96 96 VAL HA H 340 4.653 4.114 0.539 1
1 1121 . 12 1 1 A 96 96 VAL C C 340 175.494 175.599 -0.105 1
1 1122 . 12 1 1 A 96 96 VAL CA C 340 60.722 63.023 -2.301 1
1 1123 . 12 1 1 A 96 96 VAL CB C 340 33.852 31.398 2.454 1
1 1126 . 12 1 1 A 96 96 VAL N N 340 128.328 124.040 4.288 1
1 1127 . 12 1 1 A 97 97 LEU H H 341 8.524 8.747 -0.223 1
1 1128 . 12 1 1 A 97 97 LEU HA H 341 4.243 4.605 -0.362 1
1 1138 . 12 1 1 A 97 97 LEU C C 341 176.052 176.368 -0.316 1
1 1139 . 12 1 1 A 97 97 LEU CA C 341 54.086 54.378 -0.292 1
1 1140 . 12 1 1 A 97 97 LEU CB C 341 41.446 41.102 0.344 1
1 1144 . 12 1 1 A 97 97 LEU N N 341 136.554 129.554 7.000 1
1 1145 . 12 1 1 A 98 98 ALA H H 342 8.344 8.642 -0.298 1
1 1146 . 12 1 1 A 98 98 ALA HA H 342 4.227 4.318 -0.091 1
1 1150 . 12 1 1 A 98 98 ALA C C 342 177.569 176.824 0.745 1
1 1151 . 12 1 1 A 98 98 ALA CA C 342 51.964 52.628 -0.664 1
1 1152 . 12 1 1 A 98 98 ALA CB C 342 19.976 19.104 0.872 1
1 1153 . 12 1 1 A 98 98 ALA N N 342 134.558 128.337 6.221 1
1 1154 . 12 1 1 A 99 99 LYS H H 343 8.552 9.237 -0.685 1
1 1155 . 12 1 1 A 99 99 LYS HA H 343 4.119 4.436 -0.317 1
1 1164 . 12 1 1 A 99 99 LYS C C 343 175.859 178.536 -2.677 1
1 1165 . 12 1 1 A 99 99 LYS CA C 343 56.453 57.454 -1.001 1
1 1166 . 12 1 1 A 99 99 LYS CB C 343 33.257 33.972 -0.715 1
1 1170 . 12 1 1 A 99 99 LYS N N 343 128.906 122.356 6.550 1
1 4 . 13 1 1 A 2 2 ALA HA H -3 4.167 4.432 -0.265 1
1 8 . 13 1 1 A 2 2 ALA C C -3 177.254 177.044 0.210 1
1 9 . 13 1 1 A 2 2 ALA CA C -3 52.427 52.056 0.371 1
1 10 . 13 1 1 A 2 2 ALA CB C -3 19.740 19.844 -0.104 1
1 11 . 13 1 1 A 3 3 MET H H -2 8.135 8.588 -0.453 1
1 12 . 13 1 1 A 3 3 MET HA H -2 4.351 4.965 -0.614 1
1 20 . 13 1 1 A 3 3 MET C C -2 176.007 174.546 1.461 1
1 21 . 13 1 1 A 3 3 MET CA C -2 55.444 53.615 1.829 1
1 22 . 13 1 1 A 3 3 MET CB C -2 34.277 36.113 -1.836 1
1 25 . 13 1 1 A 3 3 MET N N -2 125.628 114.598 11.030 1
1 43 . 13 1 1 A 6 6 PRO HA H 250 4.591 4.807 -0.216 1
1 50 . 13 1 1 A 6 6 PRO C C 250 175.444 175.422 0.022 1
1 51 . 13 1 1 A 6 6 PRO CA C 250 61.829 62.910 -1.081 1
1 52 . 13 1 1 A 6 6 PRO CB C 250 32.464 32.202 0.262 1
1 55 . 13 1 1 A 7 7 ARG H H 251 7.588 9.042 -1.454 1
1 56 . 13 1 1 A 7 7 ARG HA H 251 4.078 4.783 -0.705 1
1 64 . 13 1 1 A 7 7 ARG C C 251 175.065 175.026 0.039 1
1 65 . 13 1 1 A 7 7 ARG CA C 251 54.552 55.315 -0.763 1
1 66 . 13 1 1 A 7 7 ARG CB C 251 33.587 33.795 -0.208 1
1 69 . 13 1 1 A 7 7 ARG N N 251 124.900 123.690 1.210 1
1 71 . 13 1 1 A 8 8 PHE H H 252 8.893 8.943 -0.050 1
1 72 . 13 1 1 A 8 8 PHE HA H 252 4.708 4.576 0.132 1
1 80 . 13 1 1 A 8 8 PHE CA C 252 59.744 59.926 -0.182 1
1 81 . 13 1 1 A 8 8 PHE CB C 252 39.263 39.391 -0.128 1
1 85 . 13 1 1 A 8 8 PHE N N 252 128.828 124.571 4.257 1
1 86 . 13 1 1 A 9 9 ILE H H 253 8.223 8.738 -0.515 1
1 87 . 13 1 1 A 9 9 ILE HA H 253 4.090 4.299 -0.209 1
1 97 . 13 1 1 A 9 9 ILE C C 253 175.698 176.054 -0.356 1
1 98 . 13 1 1 A 9 9 ILE CA C 253 61.230 62.241 -1.011 1
1 99 . 13 1 1 A 9 9 ILE CB C 253 39.165 39.086 0.079 1
1 103 . 13 1 1 A 9 9 ILE N N 253 128.239 125.031 3.208 1
1 104 . 13 1 1 A 10 10 GLN H H 254 7.437 7.537 -0.100 1
1 105 . 13 1 1 A 10 10 GLN HA H 254 4.450 4.790 -0.340 1
1 112 . 13 1 1 A 10 10 GLN C C 254 174.149 174.042 0.107 1
1 113 . 13 1 1 A 10 10 GLN CA C 254 56.197 55.460 0.737 1
1 114 . 13 1 1 A 10 10 GLN CB C 254 32.367 32.215 0.152 1
1 116 . 13 1 1 A 10 10 GLN N N 254 127.323 117.596 9.727 1
1 118 . 13 1 1 A 11 11 VAL H H 255 8.283 8.773 -0.490 1
1 119 . 13 1 1 A 11 11 VAL HA H 255 4.185 4.567 -0.382 1
1 127 . 13 1 1 A 11 11 VAL CA C 255 57.931 57.826 0.105 1
1 128 . 13 1 1 A 11 11 VAL CB C 255 33.230 33.733 -0.503 1
1 131 . 13 1 1 A 11 11 VAL N N 255 126.734 119.601 7.133 1
1 132 . 13 1 1 A 12 12 PRO HA H 256 4.538 4.451 0.087 1
1 139 . 13 1 1 A 12 12 PRO CA C 256 62.209 62.128 0.081 1
1 140 . 13 1 1 A 12 12 PRO CB C 256 31.724 32.129 -0.405 1
1 143 . 13 1 1 A 13 13 GLU H H 257 7.870 8.500 -0.630 1
1 144 . 13 1 1 A 13 13 GLU HA H 257 4.257 4.524 -0.267 1
1 149 . 13 1 1 A 13 13 GLU CA C 257 54.764 56.116 -1.352 1
1 150 . 13 1 1 A 13 13 GLU CB C 257 31.690 30.815 0.875 1
1 152 . 13 1 1 A 13 13 GLU N N 257 124.369 120.480 3.889 1
1 153 . 13 1 1 A 14 14 ASN H H 258 8.133 8.637 -0.504 1
1 154 . 13 1 1 A 14 14 ASN HA H 258 4.639 4.742 -0.103 1
1 159 . 13 1 1 A 14 14 ASN CA C 258 54.285 53.247 1.038 1
1 160 . 13 1 1 A 14 14 ASN CB C 258 38.023 38.750 -0.727 1
1 161 . 13 1 1 A 14 14 ASN N N 258 123.151 120.420 2.731 1
1 163 . 13 1 1 A 15 15 MET H H 259 8.295 9.040 -0.745 1
1 164 . 13 1 1 A 15 15 MET HA H 259 4.695 5.224 -0.529 1
1 172 . 13 1 1 A 15 15 MET C C 259 174.675 174.166 0.509 1
1 173 . 13 1 1 A 15 15 MET CA C 259 55.153 54.185 0.968 1
1 174 . 13 1 1 A 15 15 MET CB C 259 38.064 37.213 0.851 1
1 177 . 13 1 1 A 15 15 MET N N 259 125.442 120.246 5.196 1
1 178 . 13 1 1 A 16 16 SER H H 260 8.332 8.796 -0.464 1
1 179 . 13 1 1 A 16 16 SER HA H 260 5.261 5.426 -0.165 1
1 182 . 13 1 1 A 16 16 SER C C 260 172.889 172.637 0.252 1
1 183 . 13 1 1 A 16 16 SER CA C 260 56.748 56.683 0.065 1
1 184 . 13 1 1 A 16 16 SER CB C 260 64.170 63.830 0.340 1
1 185 . 13 1 1 A 16 16 SER N N 260 125.417 114.981 10.436 1
1 186 . 13 1 1 A 17 17 ILE H H 261 8.394 8.802 -0.408 1
1 187 . 13 1 1 A 17 17 ILE HA H 261 4.366 4.553 -0.187 1
1 197 . 13 1 1 A 17 17 ILE C C 261 173.465 175.183 -1.718 1
1 198 . 13 1 1 A 17 17 ILE CA C 261 57.461 60.282 -2.821 1
1 199 . 13 1 1 A 17 17 ILE CB C 261 41.882 39.849 2.033 1
1 203 . 13 1 1 A 17 17 ILE N N 261 131.680 126.726 4.954 1
1 204 . 13 1 1 A 18 18 ASP H H 262 8.043 8.752 -0.709 1
1 205 . 13 1 1 A 18 18 ASP HA H 262 4.498 4.600 -0.102 1
1 208 . 13 1 1 A 18 18 ASP C C 262 174.970 175.846 -0.876 1
1 209 . 13 1 1 A 18 18 ASP CA C 262 54.962 54.704 0.258 1
1 210 . 13 1 1 A 18 18 ASP CB C 262 41.518 41.001 0.517 1
1 211 . 13 1 1 A 18 18 ASP N N 262 132.455 127.576 4.879 1
1 212 . 13 1 1 A 19 19 GLU H H 263 8.058 8.848 -0.790 1
1 213 . 13 1 1 A 19 19 GLU HA H 263 3.322 3.877 -0.555 1
1 218 . 13 1 1 A 19 19 GLU C C 263 176.656 177.241 -0.585 1
1 219 . 13 1 1 A 19 19 GLU CA C 263 58.351 58.254 0.097 1
1 220 . 13 1 1 A 19 19 GLU CB C 263 29.716 29.295 0.421 1
1 222 . 13 1 1 A 19 19 GLU N N 263 126.424 124.989 1.435 1
1 223 . 13 1 1 A 20 20 GLY H H 264 9.131 9.089 0.042 1
1 224 . 13 1 1 A 20 20 GLY HA2 H 264 3.366 4.014 -0.648 1
1 225 . 13 1 1 A 20 20 GLY HA3 H 264 4.196 4.017 0.179 1
1 226 . 13 1 1 A 20 20 GLY C C 264 174.582 174.978 -0.396 1
1 227 . 13 1 1 A 20 20 GLY CA C 264 44.837 45.100 -0.263 1
1 228 . 13 1 1 A 20 20 GLY N N 264 119.124 114.923 4.201 1
1 229 . 13 1 1 A 21 21 ARG H H 265 7.192 7.413 -0.221 1
1 230 . 13 1 1 A 21 21 ARG HA H 265 4.377 4.469 -0.092 1
1 238 . 13 1 1 A 21 21 ARG C C 265 174.091 175.710 -1.619 1
1 239 . 13 1 1 A 21 21 ARG CA C 265 55.263 55.823 -0.560 1
1 240 . 13 1 1 A 21 21 ARG CB C 265 31.467 31.774 -0.307 1
1 243 . 13 1 1 A 21 21 ARG N N 265 126.182 120.315 5.867 1
1 245 . 13 1 1 A 22 22 PHE H H 266 7.699 8.829 -1.130 1
1 246 . 13 1 1 A 22 22 PHE HA H 266 4.688 4.975 -0.287 1
1 254 . 13 1 1 A 22 22 PHE C C 266 175.911 174.792 1.119 1
1 255 . 13 1 1 A 22 22 PHE CA C 266 57.132 59.125 -1.993 1
1 256 . 13 1 1 A 22 22 PHE CB C 266 41.270 40.124 1.146 1
1 260 . 13 1 1 A 22 22 PHE N N 266 127.111 122.770 4.341 1
1 261 . 13 1 1 A 23 23 CYS H H 267 8.140 8.254 -0.114 1
1 262 . 13 1 1 A 23 23 CYS HA H 267 4.282 5.088 -0.806 1
1 265 . 13 1 1 A 23 23 CYS C C 267 170.233 172.706 -2.473 1
1 266 . 13 1 1 A 23 23 CYS CA C 267 57.626 56.320 1.306 1
1 267 . 13 1 1 A 23 23 CYS CB C 267 30.411 32.009 -1.598 1
1 268 . 13 1 1 A 23 23 CYS N N 267 130.194 124.154 6.040 1
1 269 . 13 1 1 A 24 24 ARG H H 268 8.160 8.816 -0.656 1
1 270 . 13 1 1 A 24 24 ARG HA H 268 5.167 5.194 -0.027 1
1 278 . 13 1 1 A 24 24 ARG CA C 268 53.910 53.956 -0.046 1
1 279 . 13 1 1 A 24 24 ARG CB C 268 35.114 34.453 0.661 1
1 283 . 13 1 1 A 25 25 MET H H 269 8.839 8.539 0.300 1
1 284 . 13 1 1 A 25 25 MET HA H 269 4.518 5.512 -0.994 1
1 292 . 13 1 1 A 25 25 MET C C 269 174.090 173.960 0.130 1
1 293 . 13 1 1 A 25 25 MET CA C 269 54.960 53.820 1.140 1
1 294 . 13 1 1 A 25 25 MET CB C 269 35.645 36.780 -1.135 1
1 297 . 13 1 1 A 25 25 MET N N 269 127.757 119.084 8.673 1
1 298 . 13 1 1 A 26 26 ASP H H 270 8.473 9.070 -0.597 1
1 299 . 13 1 1 A 26 26 ASP HA H 270 5.772 5.484 0.288 1
1 302 . 13 1 1 A 26 26 ASP CA C 270 53.157 53.301 -0.144 1
1 303 . 13 1 1 A 26 26 ASP CB C 270 43.595 43.117 0.478 1
1 304 . 13 1 1 A 26 26 ASP N N 270 129.880 117.617 12.263 1
1 305 . 13 1 1 A 27 27 PHE H H 271 9.180 9.435 -0.255 1
1 306 . 13 1 1 A 27 27 PHE HA H 271 5.014 5.022 -0.008 1
1 314 . 13 1 1 A 27 27 PHE CA C 271 55.904 56.246 -0.342 1
1 317 . 13 1 1 A 27 27 PHE N N 271 123.116 123.075 0.041 1
1 318 . 13 1 1 A 28 28 LYS H H 272 9.221 8.617 0.604 1
1 327 . 13 1 1 A 28 28 LYS CA C 272 59.294 56.346 2.948 1
1 328 . 13 1 1 A 28 28 LYS CB C 272 38.090 33.102 4.988 1
1 332 . 13 1 1 A 28 28 LYS N N 272 131.321 125.387 5.934 1
1 333 . 13 1 1 A 29 29 VAL H H 273 8.304 8.737 -0.433 1
1 334 . 13 1 1 A 29 29 VAL HA H 273 4.331 4.650 -0.319 1
1 342 . 13 1 1 A 29 29 VAL C C 273 175.240 174.051 1.189 1
1 343 . 13 1 1 A 29 29 VAL CA C 273 61.020 60.562 0.458 1
1 344 . 13 1 1 A 29 29 VAL CB C 273 33.889 33.632 0.257 1
1 347 . 13 1 1 A 30 30 SER H H 274 8.545 8.691 -0.146 1
1 348 . 13 1 1 A 30 30 SER HA H 274 4.647 4.618 0.029 1
1 351 . 13 1 1 A 30 30 SER C C 274 172.993 174.034 -1.041 1
1 352 . 13 1 1 A 30 30 SER CA C 274 56.505 58.828 -2.323 1
1 353 . 13 1 1 A 30 30 SER CB C 274 65.805 64.303 1.502 1
1 354 . 13 1 1 A 30 30 SER N N 274 129.796 125.929 3.867 1
1 355 . 13 1 1 A 31 31 GLY H H 275 7.712 8.645 -0.933 1
1 356 . 13 1 1 A 31 31 GLY HA2 H 275 3.220 4.149 -0.929 1
1 357 . 13 1 1 A 31 31 GLY HA3 H 275 3.649 4.151 -0.502 1
1 358 . 13 1 1 A 31 31 GLY C C 275 170.984 171.466 -0.482 1
1 359 . 13 1 1 A 31 31 GLY CA C 275 45.099 44.072 1.027 1
1 360 . 13 1 1 A 31 31 GLY N N 275 115.009 111.784 3.225 1
1 361 . 13 1 1 A 32 32 LEU H H 276 7.668 8.292 -0.624 1
1 362 . 13 1 1 A 32 32 LEU HA H 276 4.301 4.812 -0.511 1
1 372 . 13 1 1 A 32 32 LEU C C 276 173.812 174.583 -0.771 1
1 373 . 13 1 1 A 32 32 LEU CA C 276 52.370 51.620 0.750 1
1 374 . 13 1 1 A 32 32 LEU CB C 276 45.554 46.022 -0.468 1
1 378 . 13 1 1 A 32 32 LEU N N 276 129.727 121.393 8.334 1
1 379 . 13 1 1 A 33 33 PRO HA H 277 4.416 4.629 -0.213 1
1 386 . 13 1 1 A 33 33 PRO CA C 277 62.576 62.358 0.218 1
1 387 . 13 1 1 A 33 33 PRO CB C 277 35.012 32.713 2.299 1
1 390 . 13 1 1 A 34 34 ALA H H 278 8.598 8.331 0.267 1
1 391 . 13 1 1 A 34 34 ALA HA H 278 4.153 4.289 -0.136 1
1 395 . 13 1 1 A 34 34 ALA CA C 278 50.822 50.713 0.109 1
1 396 . 13 1 1 A 34 34 ALA CB C 278 17.462 19.083 -1.621 1
1 397 . 13 1 1 A 34 34 ALA N N 278 131.518 124.425 7.093 1
1 398 . 13 1 1 A 35 35 PRO HA H 279 4.206 4.500 -0.294 1
1 405 . 13 1 1 A 35 35 PRO C C 279 175.701 176.000 -0.299 1
1 406 . 13 1 1 A 35 35 PRO CA C 279 62.628 62.469 0.159 1
1 407 . 13 1 1 A 35 35 PRO CB C 279 33.069 32.069 1.000 1
1 410 . 13 1 1 A 36 36 ASP H H 280 8.621 8.338 0.283 1
1 411 . 13 1 1 A 36 36 ASP HA H 280 4.659 4.698 -0.039 1
1 414 . 13 1 1 A 36 36 ASP C C 280 176.057 175.150 0.907 1
1 415 . 13 1 1 A 36 36 ASP CA C 280 54.307 54.004 0.303 1
1 416 . 13 1 1 A 36 36 ASP CB C 280 42.741 41.818 0.923 1
1 417 . 13 1 1 A 36 36 ASP N N 280 127.555 122.071 5.484 1
1 418 . 13 1 1 A 37 37 VAL H H 281 8.635 8.531 0.104 1
1 419 . 13 1 1 A 37 37 VAL HA H 281 4.938 4.968 -0.030 1
1 427 . 13 1 1 A 37 37 VAL CA C 281 61.135 59.758 1.377 1
1 428 . 13 1 1 A 37 37 VAL CB C 281 34.579 35.776 -1.197 1
1 431 . 13 1 1 A 38 38 SER H H 282 8.591 8.600 -0.009 1
1 432 . 13 1 1 A 38 38 SER HA H 282 4.518 5.469 -0.951 1
1 435 . 13 1 1 A 38 38 SER CA C 282 57.540 56.718 0.822 1
1 436 . 13 1 1 A 38 38 SER CB C 282 66.530 66.001 0.529 1
1 437 . 13 1 1 A 38 38 SER N N 282 128.264 123.585 4.679 1
1 438 . 13 1 1 A 39 39 TRP H H 283 8.426 8.534 -0.108 1
1 439 . 13 1 1 A 39 39 TRP HA H 283 5.297 5.572 -0.275 1
1 448 . 13 1 1 A 39 39 TRP CA C 283 56.298 55.816 0.482 1
1 449 . 13 1 1 A 39 39 TRP CB C 283 33.153 33.525 -0.372 1
1 455 . 13 1 1 A 39 39 TRP N N 283 127.698 122.864 4.834 1
1 456 . 13 1 1 A 40 40 TYR H H 284 9.373 9.184 0.189 1
1 457 . 13 1 1 A 40 40 TYR HA H 284 4.903 5.316 -0.413 1
1 464 . 13 1 1 A 40 40 TYR C C 284 174.148 174.728 -0.580 1
1 465 . 13 1 1 A 40 40 TYR CA C 284 56.849 56.337 0.512 1
1 466 . 13 1 1 A 40 40 TYR CB C 284 42.754 43.332 -0.578 1
1 469 . 13 1 1 A 40 40 TYR N N 284 125.437 119.520 5.917 1
1 470 . 13 1 1 A 41 41 LEU H H 285 8.898 9.193 -0.295 1
1 471 . 13 1 1 A 41 41 LEU HA H 285 4.255 4.537 -0.282 1
1 481 . 13 1 1 A 41 41 LEU C C 285 176.606 175.442 1.164 1
1 482 . 13 1 1 A 41 41 LEU CA C 285 53.659 54.015 -0.356 1
1 483 . 13 1 1 A 41 41 LEU CB C 285 43.740 44.876 -1.136 1
1 487 . 13 1 1 A 41 41 LEU N N 285 129.512 122.552 6.960 1
1 488 . 13 1 1 A 42 42 ASN H H 286 9.454 9.390 0.064 1
1 489 . 13 1 1 A 42 42 ASN HA H 286 4.221 4.414 -0.193 1
1 494 . 13 1 1 A 42 42 ASN C C 286 175.692 175.272 0.420 1
1 495 . 13 1 1 A 42 42 ASN CA C 286 54.239 54.398 -0.159 1
1 496 . 13 1 1 A 42 42 ASN CB C 286 37.331 37.008 0.323 1
1 497 . 13 1 1 A 42 42 ASN N N 286 134.097 125.980 8.117 1
1 499 . 13 1 1 A 43 43 GLY H H 287 8.709 8.381 0.328 1
1 500 . 13 1 1 A 43 43 GLY HA2 H 287 3.356 4.001 -0.645 1
1 501 . 13 1 1 A 43 43 GLY HA3 H 287 3.995 4.005 -0.010 1
1 502 . 13 1 1 A 43 43 GLY C C 287 173.786 173.674 0.112 1
1 503 . 13 1 1 A 43 43 GLY CA C 287 45.450 45.090 0.360 1
1 504 . 13 1 1 A 43 43 GLY N N 287 108.807 104.907 3.900 1
1 505 . 13 1 1 A 44 44 ARG H H 288 7.902 7.725 0.177 1
1 506 . 13 1 1 A 44 44 ARG HA H 288 4.697 5.011 -0.314 1
1 514 . 13 1 1 A 44 44 ARG C C 288 175.799 175.264 0.535 1
1 515 . 13 1 1 A 44 44 ARG CA C 288 54.658 53.813 0.845 1
1 516 . 13 1 1 A 44 44 ARG CB C 288 32.436 33.557 -1.121 1
1 519 . 13 1 1 A 44 44 ARG N N 288 127.837 116.393 11.444 1
1 521 . 13 1 1 A 45 45 THR H H 289 8.539 8.602 -0.063 1
1 522 . 13 1 1 A 45 45 THR HA H 289 3.763 4.332 -0.569 1
1 527 . 13 1 1 A 45 45 THR C C 289 174.692 174.186 0.506 1
1 528 . 13 1 1 A 45 45 THR CA C 289 63.977 61.695 2.282 1
1 529 . 13 1 1 A 45 45 THR CB C 289 69.706 69.957 -0.251 1
1 531 . 13 1 1 A 45 45 THR N N 289 126.100 113.172 12.928 1
1 532 . 13 1 1 A 46 46 VAL H H 290 8.033 8.401 -0.368 1
1 533 . 13 1 1 A 46 46 VAL HA H 290 3.647 4.892 -1.245 1
1 541 . 13 1 1 A 46 46 VAL C C 290 174.672 174.573 0.099 1
1 542 . 13 1 1 A 46 46 VAL CA C 290 62.458 60.231 2.227 1
1 543 . 13 1 1 A 46 46 VAL CB C 290 32.500 35.681 -3.181 1
1 546 . 13 1 1 A 46 46 VAL N N 290 134.795 121.103 13.692 1
1 547 . 13 1 1 A 47 47 GLN H H 291 8.124 8.816 -0.692 1
1 548 . 13 1 1 A 47 47 GLN HA H 291 4.281 4.863 -0.582 1
1 555 . 13 1 1 A 47 47 GLN C C 291 175.398 175.355 0.043 1
1 556 . 13 1 1 A 47 47 GLN CA C 291 54.235 53.895 0.340 1
1 557 . 13 1 1 A 47 47 GLN CB C 291 30.283 32.798 -2.515 1
1 559 . 13 1 1 A 47 47 GLN N N 291 132.792 125.480 7.312 1
1 561 . 13 1 1 A 48 48 SER H H 292 8.280 8.555 -0.275 1
1 562 . 13 1 1 A 48 48 SER HA H 292 4.308 4.496 -0.188 1
1 565 . 13 1 1 A 48 48 SER C C 292 174.304 173.518 0.786 1
1 566 . 13 1 1 A 48 48 SER CA C 292 58.222 58.374 -0.152 1
1 567 . 13 1 1 A 48 48 SER CB C 292 63.719 63.904 -0.185 1
1 568 . 13 1 1 A 48 48 SER N N 292 123.481 116.017 7.464 1
1 569 . 13 1 1 A 49 49 ASP H H 293 9.050 8.623 0.427 1
1 570 . 13 1 1 A 49 49 ASP HA H 293 4.482 5.059 -0.577 1
1 573 . 13 1 1 A 49 49 ASP C C 293 176.099 175.632 0.467 1
1 574 . 13 1 1 A 49 49 ASP CA C 293 53.668 53.004 0.664 1
1 575 . 13 1 1 A 49 49 ASP CB C 293 40.100 44.233 -4.133 1
1 576 . 13 1 1 A 49 49 ASP N N 293 131.157 122.133 9.024 1
1 577 . 13 1 1 A 50 50 ASP H H 294 8.324 8.897 -0.573 1
1 578 . 13 1 1 A 50 50 ASP HA H 294 4.167 4.239 -0.072 1
1 581 . 13 1 1 A 50 50 ASP C C 294 176.520 177.578 -1.058 1
1 582 . 13 1 1 A 50 50 ASP CA C 294 57.367 57.514 -0.147 1
1 583 . 13 1 1 A 50 50 ASP CB C 294 40.226 40.489 -0.263 1
1 584 . 13 1 1 A 50 50 ASP N N 294 122.206 124.829 -2.623 1
1 585 . 13 1 1 A 51 51 LEU H H 295 7.749 7.726 0.023 1
1 586 . 13 1 1 A 51 51 LEU HA H 295 4.281 4.154 0.127 1
1 596 . 13 1 1 A 51 51 LEU C C 295 175.716 176.454 -0.738 1
1 597 . 13 1 1 A 51 51 LEU CA C 295 54.407 55.309 -0.902 1
1 598 . 13 1 1 A 51 51 LEU CB C 295 43.849 42.223 1.626 1
1 602 . 13 1 1 A 51 51 LEU N N 295 121.836 117.901 3.935 1
1 603 . 13 1 1 A 52 52 HIS H H 296 7.548 7.476 0.072 1
1 604 . 13 1 1 A 52 52 HIS HA H 296 5.091 4.826 0.265 1
1 609 . 13 1 1 A 52 52 HIS C C 296 172.683 173.885 -1.202 1
1 610 . 13 1 1 A 52 52 HIS CA C 296 54.900 53.709 1.191 1
1 611 . 13 1 1 A 52 52 HIS CB C 296 28.894 29.235 -0.341 1
1 614 . 13 1 1 A 52 52 HIS N N 296 126.326 115.922 10.404 1
1 615 . 13 1 1 A 53 53 LYS H H 297 8.515 8.519 -0.004 1
1 616 . 13 1 1 A 53 53 LYS HA H 297 4.608 4.226 0.382 1
1 625 . 13 1 1 A 53 53 LYS C C 297 174.797 175.641 -0.844 1
1 626 . 13 1 1 A 53 53 LYS CA C 297 54.303 56.848 -2.545 1
1 627 . 13 1 1 A 53 53 LYS CB C 297 35.705 33.200 2.505 1
1 631 . 13 1 1 A 53 53 LYS N N 297 127.067 122.616 4.451 1
1 632 . 13 1 1 A 54 54 MET H H 298 8.379 8.835 -0.456 1
1 633 . 13 1 1 A 54 54 MET HA H 298 5.091 5.193 -0.102 1
1 641 . 13 1 1 A 54 54 MET CA C 298 55.427 54.557 0.870 1
1 642 . 13 1 1 A 54 54 MET CB C 298 34.100 35.214 -1.114 1
1 645 . 13 1 1 A 54 54 MET N N 298 128.992 120.730 8.262 1
1 646 . 13 1 1 A 55 55 ILE H H 299 8.279 8.671 -0.392 1
1 647 . 13 1 1 A 55 55 ILE HA H 299 4.602 5.239 -0.637 1
1 657 . 13 1 1 A 55 55 ILE CA C 299 59.130 59.111 0.019 1
1 658 . 13 1 1 A 55 55 ILE CB C 299 42.747 42.377 0.370 1
1 662 . 13 1 1 A 56 56 VAL H H 300 9.227 8.712 0.515 1
1 663 . 13 1 1 A 56 56 VAL HA H 300 4.912 4.743 0.169 1
1 671 . 13 1 1 A 56 56 VAL CA C 300 59.226 61.082 -1.856 1
1 672 . 13 1 1 A 56 56 VAL CB C 300 36.406 35.157 1.249 1
1 675 . 13 1 1 A 57 57 SER H H 301 8.794 9.017 -0.223 1
1 676 . 13 1 1 A 57 57 SER HA H 301 4.575 4.585 -0.010 1
1 679 . 13 1 1 A 57 57 SER CA C 301 56.558 58.675 -2.117 1
1 680 . 13 1 1 A 57 57 SER CB C 301 65.617 63.930 1.687 1
1 681 . 13 1 1 A 57 57 SER N N 301 128.893 122.752 6.141 1
1 682 . 13 1 1 A 58 58 GLU HA H 302 4.013 4.051 -0.038 1
1 687 . 13 1 1 A 58 58 GLU CA C 302 58.165 59.694 -1.529 1
1 688 . 13 1 1 A 58 58 GLU CB C 302 29.508 29.473 0.035 1
1 690 . 13 1 1 A 59 59 LYS HA H 303 4.114 4.340 -0.226 1
1 699 . 13 1 1 A 59 59 LYS C C 303 176.755 176.843 -0.088 1
1 700 . 13 1 1 A 59 59 LYS CA C 303 55.913 55.935 -0.022 1
1 701 . 13 1 1 A 59 59 LYS CB C 303 31.679 32.817 -1.138 1
1 705 . 13 1 1 A 60 60 GLY H H 304 7.813 8.026 -0.213 1
1 706 . 13 1 1 A 60 60 GLY HA2 H 304 4.037 3.988 0.049 1
1 707 . 13 1 1 A 60 60 GLY HA3 H 304 3.411 3.990 -0.579 1
1 708 . 13 1 1 A 60 60 GLY C C 304 173.480 174.196 -0.716 1
1 709 . 13 1 1 A 60 60 GLY CA C 304 45.955 45.461 0.494 1
1 710 . 13 1 1 A 60 60 GLY N N 304 113.597 107.748 5.849 1
1 711 . 13 1 1 A 61 61 LEU H H 305 7.253 7.934 -0.681 1
1 712 . 13 1 1 A 61 61 LEU HA H 305 4.396 4.578 -0.182 1
1 722 . 13 1 1 A 61 61 LEU CA C 305 54.825 54.343 0.482 1
1 723 . 13 1 1 A 61 61 LEU CB C 305 43.099 42.337 0.762 1
1 727 . 13 1 1 A 61 61 LEU N N 305 128.081 123.607 4.474 1
1 728 . 13 1 1 A 62 62 HIS H H 306 8.294 9.026 -0.732 1
1 733 . 13 1 1 A 62 62 HIS N N 306 130.344 127.655 2.689 1
1 734 . 13 1 1 A 63 63 SER HA H 307 5.980 5.149 0.831 1
1 737 . 13 1 1 A 63 63 SER CA C 307 57.517 57.105 0.412 1
1 738 . 13 1 1 A 63 63 SER CB C 307 66.760 66.417 0.343 1
1 739 . 13 1 1 A 64 64 LEU H H 308 8.827 8.483 0.344 1
1 740 . 13 1 1 A 64 64 LEU HA H 308 4.657 4.505 0.152 1
1 750 . 13 1 1 A 64 64 LEU C C 308 174.337 174.782 -0.445 1
1 751 . 13 1 1 A 64 64 LEU CA C 308 54.386 53.828 0.558 1
1 752 . 13 1 1 A 64 64 LEU CB C 308 42.678 44.854 -2.176 1
1 756 . 13 1 1 A 65 65 ILE H H 309 9.009 8.933 0.076 1
1 757 . 13 1 1 A 65 65 ILE HA H 309 3.880 4.637 -0.757 1
1 767 . 13 1 1 A 65 65 ILE C C 309 173.963 174.955 -0.992 1
1 768 . 13 1 1 A 65 65 ILE CA C 309 60.296 60.074 0.222 1
1 769 . 13 1 1 A 65 65 ILE CB C 309 40.727 40.280 0.447 1
1 773 . 13 1 1 A 65 65 ILE N N 309 133.046 127.885 5.161 1
1 774 . 13 1 1 A 66 66 PHE H H 310 8.508 8.720 -0.212 1
1 775 . 13 1 1 A 66 66 PHE HA H 310 4.367 4.892 -0.525 1
1 783 . 13 1 1 A 66 66 PHE C C 310 174.555 175.651 -1.096 1
1 784 . 13 1 1 A 66 66 PHE CA C 310 54.878 55.900 -1.022 1
1 785 . 13 1 1 A 66 66 PHE CB C 310 38.819 40.310 -1.491 1
1 789 . 13 1 1 A 66 66 PHE N N 310 132.294 123.722 8.572 1
1 790 . 13 1 1 A 67 67 GLU H H 311 7.879 8.800 -0.921 1
1 791 . 13 1 1 A 67 67 GLU HA H 311 4.025 4.426 -0.401 1
1 796 . 13 1 1 A 67 67 GLU C C 311 177.819 177.136 0.683 1
1 797 . 13 1 1 A 67 67 GLU CA C 311 59.266 59.189 0.077 1
1 798 . 13 1 1 A 67 67 GLU CB C 311 30.421 30.600 -0.179 1
1 800 . 13 1 1 A 67 67 GLU N N 311 127.092 124.026 3.066 1
1 801 . 13 1 1 A 68 68 VAL H H 312 7.428 7.589 -0.161 1
1 802 . 13 1 1 A 68 68 VAL HA H 312 3.402 4.582 -1.180 1
1 810 . 13 1 1 A 68 68 VAL C C 312 173.921 174.135 -0.214 1
1 811 . 13 1 1 A 68 68 VAL CA C 312 61.444 61.035 0.409 1
1 812 . 13 1 1 A 68 68 VAL CB C 312 34.790 33.059 1.731 1
1 815 . 13 1 1 A 68 68 VAL N N 312 120.315 116.900 3.415 1
1 816 . 13 1 1 A 69 69 VAL H H 313 8.233 8.717 -0.484 1
1 817 . 13 1 1 A 69 69 VAL HA H 313 3.829 4.251 -0.422 1
1 825 . 13 1 1 A 69 69 VAL C C 313 175.123 175.016 0.107 1
1 826 . 13 1 1 A 69 69 VAL CA C 313 63.200 62.634 0.566 1
1 827 . 13 1 1 A 69 69 VAL CB C 313 32.836 32.572 0.264 1
1 830 . 13 1 1 A 69 69 VAL N N 313 132.928 129.029 3.899 1
1 831 . 13 1 1 A 70 70 ARG H H 314 9.259 8.937 0.322 1
1 832 . 13 1 1 A 70 70 ARG HA H 314 4.776 4.731 0.045 1
1 839 . 13 1 1 A 70 70 ARG C C 314 177.491 176.661 0.830 1
1 840 . 13 1 1 A 70 70 ARG CA C 314 53.728 53.984 -0.256 1
1 841 . 13 1 1 A 70 70 ARG CB C 314 34.282 32.957 1.325 1
1 844 . 13 1 1 A 70 70 ARG N N 314 133.209 127.787 5.422 1
1 845 . 13 1 1 A 71 71 ALA H H 315 9.059 9.206 -0.147 1
1 846 . 13 1 1 A 71 71 ALA HA H 315 3.676 3.990 -0.314 1
1 850 . 13 1 1 A 71 71 ALA C C 315 180.122 179.442 0.680 1
1 851 . 13 1 1 A 71 71 ALA CA C 315 56.356 55.105 1.251 1
1 852 . 13 1 1 A 71 71 ALA CB C 315 17.923 18.400 -0.477 1
1 853 . 13 1 1 A 71 71 ALA N N 315 131.839 124.474 7.365 1
1 854 . 13 1 1 A 72 72 SER H H 316 7.735 8.334 -0.599 1
1 855 . 13 1 1 A 72 72 SER HA H 316 4.046 4.221 -0.175 1
1 858 . 13 1 1 A 72 72 SER C C 316 175.495 175.084 0.411 1
1 859 . 13 1 1 A 72 72 SER CA C 316 60.037 61.040 -1.003 1
1 860 . 13 1 1 A 72 72 SER CB C 316 62.381 62.600 -0.219 1
1 861 . 13 1 1 A 72 72 SER N N 316 115.841 112.189 3.652 1
1 862 . 13 1 1 A 73 73 ASP H H 317 8.175 7.964 0.211 1
1 863 . 13 1 1 A 73 73 ASP HA H 317 4.644 4.754 -0.110 1
1 866 . 13 1 1 A 73 73 ASP C C 317 176.176 176.198 -0.022 1
1 867 . 13 1 1 A 73 73 ASP CA C 317 55.305 54.825 0.480 1
1 868 . 13 1 1 A 73 73 ASP CB C 317 42.572 41.351 1.221 1
1 869 . 13 1 1 A 73 73 ASP N N 317 126.327 120.060 6.267 1
1 870 . 13 1 1 A 74 74 ALA H H 318 7.339 7.019 0.320 1
1 871 . 13 1 1 A 74 74 ALA HA H 318 4.013 4.309 -0.296 1
1 875 . 13 1 1 A 74 74 ALA C C 318 176.813 177.271 -0.458 1
1 876 . 13 1 1 A 74 74 ALA CA C 318 53.570 53.066 0.504 1
1 877 . 13 1 1 A 74 74 ALA CB C 318 20.548 20.413 0.135 1
1 878 . 13 1 1 A 74 74 ALA N N 318 127.859 121.895 5.964 1
1 879 . 13 1 1 A 75 75 GLY H H 319 8.797 8.804 -0.007 1
1 880 . 13 1 1 A 75 75 GLY HA2 H 319 3.599 4.077 -0.478 1
1 881 . 13 1 1 A 75 75 GLY HA3 H 319 4.239 4.131 0.108 1
1 882 . 13 1 1 A 75 75 GLY C C 319 170.102 172.342 -2.240 1
1 883 . 13 1 1 A 75 75 GLY CA C 319 45.105 44.136 0.969 1
1 884 . 13 1 1 A 75 75 GLY N N 319 114.261 107.161 7.100 1
1 885 . 13 1 1 A 76 76 ALA H H 320 7.621 8.015 -0.394 1
1 886 . 13 1 1 A 76 76 ALA HA H 320 4.521 4.799 -0.278 1
1 890 . 13 1 1 A 76 76 ALA C C 320 176.291 176.492 -0.201 1
1 891 . 13 1 1 A 76 76 ALA CA C 320 51.158 51.556 -0.398 1
1 892 . 13 1 1 A 76 76 ALA CB C 320 19.242 19.512 -0.270 1
1 893 . 13 1 1 A 76 76 ALA N N 320 129.042 122.916 6.126 1
1 894 . 13 1 1 A 77 77 TYR H H 321 9.406 9.052 0.354 1
1 895 . 13 1 1 A 77 77 TYR HA H 321 5.237 5.241 -0.004 1
1 903 . 13 1 1 A 77 77 TYR C C 321 175.676 176.080 -0.404 1
1 904 . 13 1 1 A 77 77 TYR CA C 321 57.779 58.072 -0.293 1
1 905 . 13 1 1 A 77 77 TYR CB C 321 40.623 40.095 0.528 1
1 908 . 13 1 1 A 77 77 TYR N N 321 132.635 124.036 8.599 1
1 909 . 13 1 1 A 78 78 ALA H H 322 9.084 8.972 0.112 1
1 910 . 13 1 1 A 78 78 ALA HA H 322 5.031 5.312 -0.281 1
1 914 . 13 1 1 A 78 78 ALA CA C 322 50.120 51.074 -0.954 1
1 915 . 13 1 1 A 78 78 ALA CB C 322 21.653 24.056 -2.403 1
1 916 . 13 1 1 A 78 78 ALA N N 322 130.291 122.557 7.734 1
1 917 . 13 1 1 A 79 79 CYS H H 323 7.932 8.797 -0.865 1
1 918 . 13 1 1 A 79 79 CYS HA H 323 4.037 4.592 -0.555 1
1 919 . 13 1 1 A 79 79 CYS C C 323 173.727 172.964 0.763 1
1 920 . 13 1 1 A 79 79 CYS CA C 323 56.345 56.973 -0.628 1
1 921 . 13 1 1 A 80 80 VAL H H 324 8.671 8.932 -0.261 1
1 922 . 13 1 1 A 80 80 VAL HA H 324 4.596 4.638 -0.042 1
1 930 . 13 1 1 A 80 80 VAL C C 324 174.904 174.518 0.386 1
1 931 . 13 1 1 A 80 80 VAL CA C 324 60.907 61.110 -0.203 1
1 932 . 13 1 1 A 80 80 VAL CB C 324 34.334 33.996 0.338 1
1 934 . 13 1 1 A 80 80 VAL N N 324 135.079 127.340 7.739 1
1 935 . 13 1 1 A 81 81 ALA H H 325 9.107 8.968 0.139 1
1 936 . 13 1 1 A 81 81 ALA HA H 325 5.220 5.557 -0.337 1
1 940 . 13 1 1 A 81 81 ALA C C 325 175.446 176.011 -0.565 1
1 941 . 13 1 1 A 81 81 ALA CA C 325 49.197 50.156 -0.959 1
1 942 . 13 1 1 A 81 81 ALA CB C 325 22.479 22.046 0.433 1
1 943 . 13 1 1 A 81 81 ALA N N 325 136.369 130.784 5.585 1
1 944 . 13 1 1 A 82 82 LYS H H 326 8.734 8.970 -0.236 1
1 945 . 13 1 1 A 82 82 LYS HA H 326 5.021 5.273 -0.252 1
1 954 . 13 1 1 A 82 82 LYS C C 326 175.054 175.304 -0.250 1
1 955 . 13 1 1 A 82 82 LYS CA C 326 55.451 54.711 0.740 1
1 956 . 13 1 1 A 82 82 LYS CB C 326 37.852 36.069 1.783 1
1 960 . 13 1 1 A 82 82 LYS N N 326 128.038 122.245 5.793 1
1 961 . 13 1 1 A 83 83 ASN H H 327 8.949 8.912 0.037 1
1 962 . 13 1 1 A 83 83 ASN HA H 327 4.624 5.162 -0.538 1
1 967 . 13 1 1 A 83 83 ASN C C 327 176.409 175.236 1.173 1
1 968 . 13 1 1 A 83 83 ASN CA C 327 51.838 51.454 0.384 1
1 969 . 13 1 1 A 83 83 ASN CB C 327 40.927 39.913 1.014 1
1 970 . 13 1 1 A 83 83 ASN N N 327 128.769 121.508 7.261 1
1 972 . 13 1 1 A 84 84 ARG H H 328 8.203 9.143 -0.940 1
1 973 . 13 1 1 A 84 84 ARG HA H 328 3.917 4.071 -0.154 1
1 981 . 13 1 1 A 84 84 ARG C C 328 175.820 176.023 -0.203 1
1 982 . 13 1 1 A 84 84 ARG CA C 328 58.250 58.046 0.204 1
1 983 . 13 1 1 A 84 84 ARG CB C 328 29.985 29.638 0.347 1
1 986 . 13 1 1 A 84 84 ARG N N 328 121.021 117.729 3.292 1
1 988 . 13 1 1 A 85 85 ALA H H 329 7.599 8.072 -0.473 1
1 989 . 13 1 1 A 85 85 ALA HA H 329 4.279 4.469 -0.190 1
1 993 . 13 1 1 A 85 85 ALA C C 329 177.261 176.946 0.315 1
1 994 . 13 1 1 A 85 85 ALA CA C 329 51.905 51.715 0.190 1
1 995 . 13 1 1 A 85 85 ALA CB C 329 19.637 20.468 -0.831 1
1 996 . 13 1 1 A 85 85 ALA N N 329 125.074 121.626 3.448 1
1 997 . 13 1 1 A 86 86 GLY H H 330 7.624 7.179 0.445 1
1 998 . 13 1 1 A 86 86 GLY HA2 H 330 3.806 4.064 -0.258 1
1 999 . 13 1 1 A 86 86 GLY HA3 H 330 4.164 4.067 0.097 1
1 1000 . 13 1 1 A 86 86 GLY C C 330 169.646 170.840 -1.194 1
1 1001 . 13 1 1 A 86 86 GLY CA C 330 46.012 45.802 0.210 1
1 1002 . 13 1 1 A 86 86 GLY N N 330 112.891 104.271 8.620 1
1 1003 . 13 1 1 A 87 87 GLU H H 331 8.213 8.455 -0.242 1
1 1004 . 13 1 1 A 87 87 GLU HA H 331 5.274 5.316 -0.042 1
1 1009 . 13 1 1 A 87 87 GLU C C 331 174.418 174.606 -0.188 1
1 1010 . 13 1 1 A 87 87 GLU CA C 331 54.349 54.985 -0.636 1
1 1011 . 13 1 1 A 87 87 GLU CB C 331 34.615 33.554 1.061 1
1 1013 . 13 1 1 A 87 87 GLU N N 331 123.208 120.205 3.003 1
1 1014 . 13 1 1 A 88 88 ALA H H 332 8.897 8.756 0.141 1
1 1015 . 13 1 1 A 88 88 ALA HA H 332 4.569 4.832 -0.263 1
1 1019 . 13 1 1 A 88 88 ALA C C 332 175.121 174.943 0.178 1
1 1020 . 13 1 1 A 88 88 ALA CA C 332 51.592 50.558 1.034 1
1 1021 . 13 1 1 A 88 88 ALA CB C 332 23.324 23.539 -0.215 1
1 1022 . 13 1 1 A 88 88 ALA N N 332 131.757 125.752 6.005 1
1 1023 . 13 1 1 A 89 89 THR H H 333 8.521 8.081 0.440 1
1 1024 . 13 1 1 A 89 89 THR HA H 333 5.661 4.925 0.736 1
1 1029 . 13 1 1 A 89 89 THR C C 333 173.827 173.191 0.636 1
1 1030 . 13 1 1 A 89 89 THR CA C 333 60.601 60.617 -0.016 1
1 1031 . 13 1 1 A 89 89 THR CB C 333 72.140 71.600 0.540 1
1 1033 . 13 1 1 A 89 89 THR N N 333 121.100 114.389 6.711 1
1 1034 . 13 1 1 A 90 90 PHE H H 334 8.603 9.067 -0.464 1
1 1035 . 13 1 1 A 90 90 PHE HA H 334 4.624 5.429 -0.805 1
1 1043 . 13 1 1 A 90 90 PHE CA C 334 56.618 56.026 0.592 1
1 1044 . 13 1 1 A 90 90 PHE CB C 334 42.489 44.071 -1.582 1
1 1048 . 13 1 1 A 91 91 THR H H 335 8.174 8.950 -0.776 1
1 1049 . 13 1 1 A 91 91 THR HA H 335 5.445 5.249 0.196 1
1 1054 . 13 1 1 A 91 91 THR CA C 335 60.110 61.525 -1.415 1
1 1055 . 13 1 1 A 91 91 THR CB C 335 71.671 72.284 -0.613 1
1 1057 . 13 1 1 A 92 92 VAL H H 336 9.158 8.805 0.353 1
1 1058 . 13 1 1 A 92 92 VAL HA H 336 4.432 4.957 -0.525 1
1 1066 . 13 1 1 A 92 92 VAL C C 336 171.594 173.118 -1.524 1
1 1067 . 13 1 1 A 92 92 VAL CA C 336 60.914 60.146 0.768 1
1 1068 . 13 1 1 A 92 92 VAL CB C 336 35.760 35.883 -0.123 1
1 1071 . 13 1 1 A 92 92 VAL N N 336 130.220 122.172 8.048 1
1 1072 . 13 1 1 A 93 93 GLN H H 337 8.302 8.844 -0.542 1
1 1073 . 13 1 1 A 93 93 GLN HA H 337 4.756 5.351 -0.595 1
1 1080 . 13 1 1 A 93 93 GLN C C 337 174.009 173.461 0.548 1
1 1081 . 13 1 1 A 93 93 GLN CA C 337 54.672 54.308 0.364 1
1 1082 . 13 1 1 A 93 93 GLN CB C 337 30.071 32.460 -2.389 1
1 1084 . 13 1 1 A 93 93 GLN N N 337 133.412 126.896 6.516 1
1 1086 . 13 1 1 A 94 94 LEU H H 338 8.812 9.273 -0.461 1
1 1087 . 13 1 1 A 94 94 LEU HA H 338 4.836 4.975 -0.139 1
1 1097 . 13 1 1 A 94 94 LEU C C 338 175.099 174.587 0.512 1
1 1098 . 13 1 1 A 94 94 LEU CA C 338 53.725 53.798 -0.073 1
1 1099 . 13 1 1 A 94 94 LEU CB C 338 44.955 44.911 0.044 1
1 1103 . 13 1 1 A 94 94 LEU N N 338 133.816 127.752 6.064 1
1 1104 . 13 1 1 A 95 95 ASP H H 339 8.747 9.272 -0.525 1
1 1105 . 13 1 1 A 95 95 ASP HA H 339 4.871 4.785 0.086 1
1 1108 . 13 1 1 A 95 95 ASP C C 339 174.295 174.656 -0.361 1
1 1109 . 13 1 1 A 95 95 ASP CA C 339 53.311 52.956 0.355 1
1 1110 . 13 1 1 A 95 95 ASP CB C 339 42.895 40.124 2.771 1
1 1111 . 13 1 1 A 95 95 ASP N N 339 134.770 128.524 6.246 1
1 1112 . 13 1 1 A 96 96 VAL H H 340 7.745 7.758 -0.013 1
1 1113 . 13 1 1 A 96 96 VAL HA H 340 4.653 4.031 0.622 1
1 1121 . 13 1 1 A 96 96 VAL C C 340 175.494 175.589 -0.095 1
1 1122 . 13 1 1 A 96 96 VAL CA C 340 60.722 63.033 -2.311 1
1 1123 . 13 1 1 A 96 96 VAL CB C 340 33.852 31.543 2.309 1
1 1126 . 13 1 1 A 96 96 VAL N N 340 128.328 125.185 3.143 1
1 1127 . 13 1 1 A 97 97 LEU H H 341 8.524 8.861 -0.337 1
1 1128 . 13 1 1 A 97 97 LEU HA H 341 4.243 4.610 -0.367 1
1 1138 . 13 1 1 A 97 97 LEU C C 341 176.052 176.401 -0.349 1
1 1139 . 13 1 1 A 97 97 LEU CA C 341 54.086 54.360 -0.274 1
1 1140 . 13 1 1 A 97 97 LEU CB C 341 41.446 41.103 0.343 1
1 1144 . 13 1 1 A 97 97 LEU N N 341 136.554 129.231 7.323 1
1 1145 . 13 1 1 A 98 98 ALA H H 342 8.344 8.672 -0.328 1
1 1146 . 13 1 1 A 98 98 ALA HA H 342 4.227 4.312 -0.085 1
1 1150 . 13 1 1 A 98 98 ALA C C 342 177.569 177.211 0.358 1
1 1151 . 13 1 1 A 98 98 ALA CA C 342 51.964 52.473 -0.509 1
1 1152 . 13 1 1 A 98 98 ALA CB C 342 19.976 18.867 1.109 1
1 1153 . 13 1 1 A 98 98 ALA N N 342 134.558 128.345 6.213 1
1 1154 . 13 1 1 A 99 99 LYS H H 343 8.552 9.103 -0.551 1
1 1155 . 13 1 1 A 99 99 LYS HA H 343 4.119 4.312 -0.193 1
1 1164 . 13 1 1 A 99 99 LYS C C 343 175.859 178.465 -2.606 1
1 1165 . 13 1 1 A 99 99 LYS CA C 343 56.453 58.113 -1.660 1
1 1166 . 13 1 1 A 99 99 LYS CB C 343 33.257 33.081 0.176 1
1 1170 . 13 1 1 A 99 99 LYS N N 343 128.906 122.723 6.183 1
1 4 . 14 1 1 A 2 2 ALA HA H -3 4.167 4.412 -0.245 1
1 8 . 14 1 1 A 2 2 ALA C C -3 177.254 177.030 0.224 1
1 9 . 14 1 1 A 2 2 ALA CA C -3 52.427 52.245 0.182 1
1 10 . 14 1 1 A 2 2 ALA CB C -3 19.740 19.812 -0.072 1
1 11 . 14 1 1 A 3 3 MET H H -2 8.135 8.641 -0.506 1
1 12 . 14 1 1 A 3 3 MET HA H -2 4.351 4.933 -0.582 1
1 20 . 14 1 1 A 3 3 MET C C -2 176.007 174.546 1.461 1
1 21 . 14 1 1 A 3 3 MET CA C -2 55.444 53.617 1.827 1
1 22 . 14 1 1 A 3 3 MET CB C -2 34.277 36.049 -1.772 1
1 25 . 14 1 1 A 3 3 MET N N -2 125.628 115.448 10.180 1
1 43 . 14 1 1 A 6 6 PRO HA H 250 4.591 4.828 -0.237 1
1 50 . 14 1 1 A 6 6 PRO C C 250 175.444 175.816 -0.372 1
1 51 . 14 1 1 A 6 6 PRO CA C 250 61.829 62.460 -0.631 1
1 52 . 14 1 1 A 6 6 PRO CB C 250 32.464 32.853 -0.389 1
1 55 . 14 1 1 A 7 7 ARG H H 251 7.588 8.766 -1.178 1
1 56 . 14 1 1 A 7 7 ARG HA H 251 4.078 4.952 -0.874 1
1 64 . 14 1 1 A 7 7 ARG C C 251 175.065 174.774 0.291 1
1 65 . 14 1 1 A 7 7 ARG CA C 251 54.552 54.874 -0.322 1
1 66 . 14 1 1 A 7 7 ARG CB C 251 33.587 34.310 -0.723 1
1 69 . 14 1 1 A 7 7 ARG N N 251 124.900 120.868 4.032 1
1 71 . 14 1 1 A 8 8 PHE H H 252 8.893 9.030 -0.137 1
1 72 . 14 1 1 A 8 8 PHE HA H 252 4.708 4.849 -0.141 1
1 80 . 14 1 1 A 8 8 PHE CA C 252 59.744 56.563 3.181 1
1 81 . 14 1 1 A 8 8 PHE CB C 252 39.263 36.865 2.398 1
1 85 . 14 1 1 A 8 8 PHE N N 252 128.828 122.835 5.993 1
1 86 . 14 1 1 A 9 9 ILE H H 253 8.223 8.957 -0.734 1
1 87 . 14 1 1 A 9 9 ILE HA H 253 4.090 4.102 -0.012 1
1 97 . 14 1 1 A 9 9 ILE C C 253 175.698 176.272 -0.574 1
1 98 . 14 1 1 A 9 9 ILE CA C 253 61.230 64.082 -2.852 1
1 99 . 14 1 1 A 9 9 ILE CB C 253 39.165 38.480 0.685 1
1 103 . 14 1 1 A 9 9 ILE N N 253 128.239 125.631 2.608 1
1 104 . 14 1 1 A 10 10 GLN H H 254 7.437 7.870 -0.433 1
1 105 . 14 1 1 A 10 10 GLN HA H 254 4.450 4.884 -0.434 1
1 112 . 14 1 1 A 10 10 GLN C C 254 174.149 174.184 -0.035 1
1 113 . 14 1 1 A 10 10 GLN CA C 254 56.197 55.511 0.686 1
1 114 . 14 1 1 A 10 10 GLN CB C 254 32.367 32.445 -0.078 1
1 116 . 14 1 1 A 10 10 GLN N N 254 127.323 116.639 10.684 1
1 118 . 14 1 1 A 11 11 VAL H H 255 8.283 8.820 -0.537 1
1 119 . 14 1 1 A 11 11 VAL HA H 255 4.185 4.691 -0.506 1
1 127 . 14 1 1 A 11 11 VAL CA C 255 57.931 57.901 0.030 1
1 128 . 14 1 1 A 11 11 VAL CB C 255 33.230 33.773 -0.543 1
1 131 . 14 1 1 A 11 11 VAL N N 255 126.734 119.384 7.350 1
1 132 . 14 1 1 A 12 12 PRO HA H 256 4.538 4.409 0.129 1
1 139 . 14 1 1 A 12 12 PRO CA C 256 62.209 62.216 -0.007 1
1 140 . 14 1 1 A 12 12 PRO CB C 256 31.724 32.058 -0.334 1
1 143 . 14 1 1 A 13 13 GLU H H 257 7.870 8.503 -0.633 1
1 144 . 14 1 1 A 13 13 GLU HA H 257 4.257 4.460 -0.203 1
1 149 . 14 1 1 A 13 13 GLU CA C 257 54.764 56.309 -1.545 1
1 150 . 14 1 1 A 13 13 GLU CB C 257 31.690 30.506 1.184 1
1 152 . 14 1 1 A 13 13 GLU N N 257 124.369 120.734 3.635 1
1 153 . 14 1 1 A 14 14 ASN H H 258 8.133 8.603 -0.470 1
1 154 . 14 1 1 A 14 14 ASN HA H 258 4.639 4.844 -0.205 1
1 159 . 14 1 1 A 14 14 ASN CA C 258 54.285 53.188 1.097 1
1 160 . 14 1 1 A 14 14 ASN CB C 258 38.023 38.703 -0.680 1
1 161 . 14 1 1 A 14 14 ASN N N 258 123.151 120.249 2.902 1
1 163 . 14 1 1 A 15 15 MET H H 259 8.295 8.776 -0.481 1
1 164 . 14 1 1 A 15 15 MET HA H 259 4.695 5.361 -0.666 1
1 172 . 14 1 1 A 15 15 MET C C 259 174.675 173.996 0.679 1
1 173 . 14 1 1 A 15 15 MET CA C 259 55.153 53.825 1.328 1
1 174 . 14 1 1 A 15 15 MET CB C 259 38.064 37.227 0.837 1
1 177 . 14 1 1 A 15 15 MET N N 259 125.442 120.252 5.190 1
1 178 . 14 1 1 A 16 16 SER H H 260 8.332 8.865 -0.533 1
1 179 . 14 1 1 A 16 16 SER HA H 260 5.261 5.408 -0.147 1
1 182 . 14 1 1 A 16 16 SER C C 260 172.889 172.763 0.126 1
1 183 . 14 1 1 A 16 16 SER CA C 260 56.748 57.350 -0.602 1
1 184 . 14 1 1 A 16 16 SER CB C 260 64.170 64.609 -0.439 1
1 185 . 14 1 1 A 16 16 SER N N 260 125.417 114.193 11.224 1
1 186 . 14 1 1 A 17 17 ILE H H 261 8.394 9.014 -0.620 1
1 187 . 14 1 1 A 17 17 ILE HA H 261 4.366 4.488 -0.122 1
1 197 . 14 1 1 A 17 17 ILE C C 261 173.465 175.374 -1.909 1
1 198 . 14 1 1 A 17 17 ILE CA C 261 57.461 60.225 -2.764 1
1 199 . 14 1 1 A 17 17 ILE CB C 261 41.882 40.413 1.469 1
1 203 . 14 1 1 A 17 17 ILE N N 261 131.680 126.543 5.137 1
1 204 . 14 1 1 A 18 18 ASP H H 262 8.043 8.710 -0.667 1
1 205 . 14 1 1 A 18 18 ASP HA H 262 4.498 4.489 0.009 1
1 208 . 14 1 1 A 18 18 ASP C C 262 174.970 175.852 -0.882 1
1 209 . 14 1 1 A 18 18 ASP CA C 262 54.962 54.642 0.320 1
1 210 . 14 1 1 A 18 18 ASP CB C 262 41.518 41.205 0.313 1
1 211 . 14 1 1 A 18 18 ASP N N 262 132.455 127.831 4.624 1
1 212 . 14 1 1 A 19 19 GLU H H 263 8.058 8.721 -0.663 1
1 213 . 14 1 1 A 19 19 GLU HA H 263 3.322 3.881 -0.559 1
1 218 . 14 1 1 A 19 19 GLU C C 263 176.656 177.295 -0.639 1
1 219 . 14 1 1 A 19 19 GLU CA C 263 58.351 58.242 0.109 1
1 220 . 14 1 1 A 19 19 GLU CB C 263 29.716 29.282 0.434 1
1 222 . 14 1 1 A 19 19 GLU N N 263 126.424 124.983 1.441 1
1 223 . 14 1 1 A 20 20 GLY H H 264 9.131 9.125 0.006 1
1 224 . 14 1 1 A 20 20 GLY HA2 H 264 3.366 3.989 -0.623 1
1 225 . 14 1 1 A 20 20 GLY HA3 H 264 4.196 3.991 0.205 1
1 226 . 14 1 1 A 20 20 GLY C C 264 174.582 174.800 -0.218 1
1 227 . 14 1 1 A 20 20 GLY CA C 264 44.837 45.070 -0.233 1
1 228 . 14 1 1 A 20 20 GLY N N 264 119.124 114.881 4.243 1
1 229 . 14 1 1 A 21 21 ARG H H 265 7.192 7.435 -0.243 1
1 230 . 14 1 1 A 21 21 ARG HA H 265 4.377 4.438 -0.061 1
1 238 . 14 1 1 A 21 21 ARG C C 265 174.091 175.768 -1.677 1
1 239 . 14 1 1 A 21 21 ARG CA C 265 55.263 55.910 -0.647 1
1 240 . 14 1 1 A 21 21 ARG CB C 265 31.467 31.735 -0.268 1
1 243 . 14 1 1 A 21 21 ARG N N 265 126.182 120.378 5.804 1
1 245 . 14 1 1 A 22 22 PHE H H 266 7.699 8.877 -1.178 1
1 246 . 14 1 1 A 22 22 PHE HA H 266 4.688 4.912 -0.224 1
1 254 . 14 1 1 A 22 22 PHE C C 266 175.911 174.770 1.141 1
1 255 . 14 1 1 A 22 22 PHE CA C 266 57.132 59.131 -1.999 1
1 256 . 14 1 1 A 22 22 PHE CB C 266 41.270 40.120 1.150 1
1 260 . 14 1 1 A 22 22 PHE N N 266 127.111 122.953 4.158 1
1 261 . 14 1 1 A 23 23 CYS H H 267 8.140 8.339 -0.199 1
1 262 . 14 1 1 A 23 23 CYS HA H 267 4.282 5.038 -0.756 1
1 265 . 14 1 1 A 23 23 CYS C C 267 170.233 172.903 -2.670 1
1 266 . 14 1 1 A 23 23 CYS CA C 267 57.626 56.553 1.073 1
1 267 . 14 1 1 A 23 23 CYS CB C 267 30.411 31.974 -1.563 1
1 268 . 14 1 1 A 23 23 CYS N N 267 130.194 124.534 5.660 1
1 269 . 14 1 1 A 24 24 ARG H H 268 8.160 8.901 -0.741 1
1 270 . 14 1 1 A 24 24 ARG HA H 268 5.167 5.302 -0.135 1
1 278 . 14 1 1 A 24 24 ARG CA C 268 53.910 53.814 0.096 1
1 279 . 14 1 1 A 24 24 ARG CB C 268 35.114 34.557 0.557 1
1 283 . 14 1 1 A 25 25 MET H H 269 8.839 8.711 0.128 1
1 284 . 14 1 1 A 25 25 MET HA H 269 4.518 5.270 -0.752 1
1 292 . 14 1 1 A 25 25 MET C C 269 174.090 174.311 -0.221 1
1 293 . 14 1 1 A 25 25 MET CA C 269 54.960 53.660 1.300 1
1 294 . 14 1 1 A 25 25 MET CB C 269 35.645 37.595 -1.950 1
1 297 . 14 1 1 A 25 25 MET N N 269 127.757 118.996 8.761 1
1 298 . 14 1 1 A 26 26 ASP H H 270 8.473 8.869 -0.396 1
1 299 . 14 1 1 A 26 26 ASP HA H 270 5.772 5.447 0.325 1
1 302 . 14 1 1 A 26 26 ASP CA C 270 53.157 53.187 -0.030 1
1 303 . 14 1 1 A 26 26 ASP CB C 270 43.595 43.048 0.547 1
1 304 . 14 1 1 A 26 26 ASP N N 270 129.880 120.356 9.524 1
1 305 . 14 1 1 A 27 27 PHE H H 271 9.180 9.347 -0.167 1
1 306 . 14 1 1 A 27 27 PHE HA H 271 5.014 5.051 -0.037 1
1 314 . 14 1 1 A 27 27 PHE CA C 271 55.904 56.538 -0.634 1
1 317 . 14 1 1 A 27 27 PHE N N 271 123.116 122.858 0.258 1
1 318 . 14 1 1 A 28 28 LYS H H 272 9.221 8.568 0.653 1
1 327 . 14 1 1 A 28 28 LYS CA C 272 59.294 56.465 2.829 1
1 328 . 14 1 1 A 28 28 LYS CB C 272 38.090 32.861 5.229 1
1 332 . 14 1 1 A 28 28 LYS N N 272 131.321 124.970 6.351 1
1 333 . 14 1 1 A 29 29 VAL H H 273 8.304 8.451 -0.147 1
1 334 . 14 1 1 A 29 29 VAL HA H 273 4.331 4.974 -0.643 1
1 342 . 14 1 1 A 29 29 VAL C C 273 175.240 173.789 1.451 1
1 343 . 14 1 1 A 29 29 VAL CA C 273 61.020 59.422 1.598 1
1 344 . 14 1 1 A 29 29 VAL CB C 273 33.889 35.723 -1.834 1
1 347 . 14 1 1 A 30 30 SER H H 274 8.545 8.968 -0.423 1
1 348 . 14 1 1 A 30 30 SER HA H 274 4.647 4.881 -0.234 1
1 351 . 14 1 1 A 30 30 SER C C 274 172.993 172.900 0.093 1
1 352 . 14 1 1 A 30 30 SER CA C 274 56.505 56.432 0.073 1
1 353 . 14 1 1 A 30 30 SER CB C 274 65.805 65.065 0.740 1
1 354 . 14 1 1 A 30 30 SER N N 274 129.796 121.910 7.886 1
1 355 . 14 1 1 A 31 31 GLY H H 275 7.712 8.589 -0.877 1
1 356 . 14 1 1 A 31 31 GLY HA2 H 275 3.220 4.148 -0.928 1
1 357 . 14 1 1 A 31 31 GLY HA3 H 275 3.649 4.154 -0.505 1
1 358 . 14 1 1 A 31 31 GLY C C 275 170.984 171.584 -0.600 1
1 359 . 14 1 1 A 31 31 GLY CA C 275 45.099 44.032 1.067 1
1 360 . 14 1 1 A 31 31 GLY N N 275 115.009 110.543 4.466 1
1 361 . 14 1 1 A 32 32 LEU H H 276 7.668 8.251 -0.583 1
1 362 . 14 1 1 A 32 32 LEU HA H 276 4.301 4.918 -0.617 1
1 372 . 14 1 1 A 32 32 LEU C C 276 173.812 174.609 -0.797 1
1 373 . 14 1 1 A 32 32 LEU CA C 276 52.370 51.549 0.821 1
1 374 . 14 1 1 A 32 32 LEU CB C 276 45.554 45.953 -0.399 1
1 378 . 14 1 1 A 32 32 LEU N N 276 129.727 121.219 8.508 1
1 379 . 14 1 1 A 33 33 PRO HA H 277 4.416 4.613 -0.197 1
1 386 . 14 1 1 A 33 33 PRO CA C 277 62.576 62.374 0.202 1
1 387 . 14 1 1 A 33 33 PRO CB C 277 35.012 32.600 2.412 1
1 390 . 14 1 1 A 34 34 ALA H H 278 8.598 8.325 0.273 1
1 391 . 14 1 1 A 34 34 ALA HA H 278 4.153 4.305 -0.152 1
1 395 . 14 1 1 A 34 34 ALA CA C 278 50.822 50.667 0.155 1
1 396 . 14 1 1 A 34 34 ALA CB C 278 17.462 18.860 -1.398 1
1 397 . 14 1 1 A 34 34 ALA N N 278 131.518 124.412 7.106 1
1 398 . 14 1 1 A 35 35 PRO HA H 279 4.206 4.497 -0.291 1
1 405 . 14 1 1 A 35 35 PRO C C 279 175.701 175.936 -0.235 1
1 406 . 14 1 1 A 35 35 PRO CA C 279 62.628 62.447 0.181 1
1 407 . 14 1 1 A 35 35 PRO CB C 279 33.069 31.932 1.137 1
1 410 . 14 1 1 A 36 36 ASP H H 280 8.621 8.424 0.197 1
1 411 . 14 1 1 A 36 36 ASP HA H 280 4.659 4.704 -0.045 1
1 414 . 14 1 1 A 36 36 ASP C C 280 176.057 175.954 0.103 1
1 415 . 14 1 1 A 36 36 ASP CA C 280 54.307 54.094 0.213 1
1 416 . 14 1 1 A 36 36 ASP CB C 280 42.741 41.845 0.896 1
1 417 . 14 1 1 A 36 36 ASP N N 280 127.555 122.091 5.464 1
1 418 . 14 1 1 A 37 37 VAL H H 281 8.635 9.030 -0.395 1
1 419 . 14 1 1 A 37 37 VAL HA H 281 4.938 5.020 -0.082 1
1 427 . 14 1 1 A 37 37 VAL CA C 281 61.135 59.806 1.329 1
1 428 . 14 1 1 A 37 37 VAL CB C 281 34.579 34.643 -0.064 1
1 431 . 14 1 1 A 38 38 SER H H 282 8.591 8.585 0.006 1
1 432 . 14 1 1 A 38 38 SER HA H 282 4.518 5.451 -0.933 1
1 435 . 14 1 1 A 38 38 SER CA C 282 57.540 56.821 0.719 1
1 436 . 14 1 1 A 38 38 SER CB C 282 66.530 66.069 0.461 1
1 437 . 14 1 1 A 38 38 SER N N 282 128.264 119.984 8.280 1
1 438 . 14 1 1 A 39 39 TRP H H 283 8.426 8.398 0.028 1
1 439 . 14 1 1 A 39 39 TRP HA H 283 5.297 5.491 -0.194 1
1 448 . 14 1 1 A 39 39 TRP CA C 283 56.298 55.871 0.427 1
1 449 . 14 1 1 A 39 39 TRP CB C 283 33.153 33.398 -0.245 1
1 455 . 14 1 1 A 39 39 TRP N N 283 127.698 122.587 5.111 1
1 456 . 14 1 1 A 40 40 TYR H H 284 9.373 9.173 0.200 1
1 457 . 14 1 1 A 40 40 TYR HA H 284 4.903 5.365 -0.462 1
1 464 . 14 1 1 A 40 40 TYR C C 284 174.148 174.710 -0.562 1
1 465 . 14 1 1 A 40 40 TYR CA C 284 56.849 56.321 0.528 1
1 466 . 14 1 1 A 40 40 TYR CB C 284 42.754 43.299 -0.545 1
1 469 . 14 1 1 A 40 40 TYR N N 284 125.437 119.701 5.736 1
1 470 . 14 1 1 A 41 41 LEU H H 285 8.898 9.166 -0.268 1
1 471 . 14 1 1 A 41 41 LEU HA H 285 4.255 4.572 -0.317 1
1 481 . 14 1 1 A 41 41 LEU C C 285 176.606 175.453 1.153 1
1 482 . 14 1 1 A 41 41 LEU CA C 285 53.659 54.058 -0.399 1
1 483 . 14 1 1 A 41 41 LEU CB C 285 43.740 44.869 -1.129 1
1 487 . 14 1 1 A 41 41 LEU N N 285 129.512 122.725 6.787 1
1 488 . 14 1 1 A 42 42 ASN H H 286 9.454 9.300 0.154 1
1 489 . 14 1 1 A 42 42 ASN HA H 286 4.221 4.410 -0.189 1
1 494 . 14 1 1 A 42 42 ASN C C 286 175.692 175.341 0.351 1
1 495 . 14 1 1 A 42 42 ASN CA C 286 54.239 54.341 -0.102 1
1 496 . 14 1 1 A 42 42 ASN CB C 286 37.331 36.988 0.343 1
1 497 . 14 1 1 A 42 42 ASN N N 286 134.097 125.986 8.111 1
1 499 . 14 1 1 A 43 43 GLY H H 287 8.709 8.375 0.334 1
1 500 . 14 1 1 A 43 43 GLY HA2 H 287 3.356 4.025 -0.669 1
1 501 . 14 1 1 A 43 43 GLY HA3 H 287 3.995 4.028 -0.033 1
1 502 . 14 1 1 A 43 43 GLY C C 287 173.786 173.724 0.062 1
1 503 . 14 1 1 A 43 43 GLY CA C 287 45.450 45.057 0.393 1
1 504 . 14 1 1 A 43 43 GLY N N 287 108.807 104.919 3.888 1
1 505 . 14 1 1 A 44 44 ARG H H 288 7.902 7.738 0.164 1
1 506 . 14 1 1 A 44 44 ARG HA H 288 4.697 4.997 -0.300 1
1 514 . 14 1 1 A 44 44 ARG C C 288 175.799 175.258 0.541 1
1 515 . 14 1 1 A 44 44 ARG CA C 288 54.658 53.962 0.696 1
1 516 . 14 1 1 A 44 44 ARG CB C 288 32.436 33.514 -1.078 1
1 519 . 14 1 1 A 44 44 ARG N N 288 127.837 116.452 11.385 1
1 521 . 14 1 1 A 45 45 THR H H 289 8.539 8.617 -0.078 1
1 522 . 14 1 1 A 45 45 THR HA H 289 3.763 4.441 -0.678 1
1 527 . 14 1 1 A 45 45 THR C C 289 174.692 174.307 0.385 1
1 528 . 14 1 1 A 45 45 THR CA C 289 63.977 61.673 2.304 1
1 529 . 14 1 1 A 45 45 THR CB C 289 69.706 69.920 -0.214 1
1 531 . 14 1 1 A 45 45 THR N N 289 126.100 113.138 12.962 1
1 532 . 14 1 1 A 46 46 VAL H H 290 8.033 8.431 -0.398 1
1 533 . 14 1 1 A 46 46 VAL HA H 290 3.647 4.505 -0.858 1
1 541 . 14 1 1 A 46 46 VAL C C 290 174.672 175.360 -0.688 1
1 542 . 14 1 1 A 46 46 VAL CA C 290 62.458 61.496 0.962 1
1 543 . 14 1 1 A 46 46 VAL CB C 290 32.500 33.847 -1.347 1
1 546 . 14 1 1 A 46 46 VAL N N 290 134.795 121.527 13.268 1
1 547 . 14 1 1 A 47 47 GLN H H 291 8.124 8.524 -0.400 1
1 548 . 14 1 1 A 47 47 GLN HA H 291 4.281 4.321 -0.040 1
1 555 . 14 1 1 A 47 47 GLN C C 291 175.398 175.987 -0.589 1
1 556 . 14 1 1 A 47 47 GLN CA C 291 54.235 56.329 -2.094 1
1 557 . 14 1 1 A 47 47 GLN CB C 291 30.283 29.439 0.844 1
1 559 . 14 1 1 A 47 47 GLN N N 291 132.792 126.568 6.224 1
1 561 . 14 1 1 A 48 48 SER H H 292 8.280 8.416 -0.136 1
1 562 . 14 1 1 A 48 48 SER HA H 292 4.308 4.647 -0.339 1
1 565 . 14 1 1 A 48 48 SER C C 292 174.304 173.645 0.659 1
1 566 . 14 1 1 A 48 48 SER CA C 292 58.222 57.927 0.295 1
1 567 . 14 1 1 A 48 48 SER CB C 292 63.719 64.593 -0.874 1
1 568 . 14 1 1 A 48 48 SER N N 292 123.481 117.485 5.996 1
1 569 . 14 1 1 A 49 49 ASP H H 293 9.050 9.119 -0.069 1
1 570 . 14 1 1 A 49 49 ASP HA H 293 4.482 4.851 -0.369 1
1 573 . 14 1 1 A 49 49 ASP C C 293 176.099 175.995 0.104 1
1 574 . 14 1 1 A 49 49 ASP CA C 293 53.668 53.257 0.411 1
1 575 . 14 1 1 A 49 49 ASP CB C 293 40.100 41.970 -1.870 1
1 576 . 14 1 1 A 49 49 ASP N N 293 131.157 119.207 11.950 1
1 577 . 14 1 1 A 50 50 ASP H H 294 8.324 8.790 -0.466 1
1 578 . 14 1 1 A 50 50 ASP HA H 294 4.167 4.308 -0.141 1
1 581 . 14 1 1 A 50 50 ASP C C 294 176.520 176.673 -0.153 1
1 582 . 14 1 1 A 50 50 ASP CA C 294 57.367 55.935 1.432 1
1 583 . 14 1 1 A 50 50 ASP CB C 294 40.226 40.581 -0.355 1
1 584 . 14 1 1 A 50 50 ASP N N 294 122.206 118.443 3.763 1
1 585 . 14 1 1 A 51 51 LEU H H 295 7.749 7.829 -0.080 1
1 586 . 14 1 1 A 51 51 LEU HA H 295 4.281 4.322 -0.041 1
1 596 . 14 1 1 A 51 51 LEU C C 295 175.716 175.822 -0.106 1
1 597 . 14 1 1 A 51 51 LEU CA C 295 54.407 54.870 -0.463 1
1 598 . 14 1 1 A 51 51 LEU CB C 295 43.849 43.085 0.764 1
1 602 . 14 1 1 A 51 51 LEU N N 295 121.836 116.637 5.199 1
1 603 . 14 1 1 A 52 52 HIS H H 296 7.548 7.593 -0.045 1
1 604 . 14 1 1 A 52 52 HIS HA H 296 5.091 4.849 0.242 1
1 609 . 14 1 1 A 52 52 HIS C C 296 172.683 173.051 -0.368 1
1 610 . 14 1 1 A 52 52 HIS CA C 296 54.900 54.028 0.872 1
1 611 . 14 1 1 A 52 52 HIS CB C 296 28.894 30.517 -1.623 1
1 614 . 14 1 1 A 52 52 HIS N N 296 126.326 115.730 10.596 1
1 615 . 14 1 1 A 53 53 LYS H H 297 8.515 8.657 -0.142 1
1 616 . 14 1 1 A 53 53 LYS HA H 297 4.608 4.683 -0.075 1
1 625 . 14 1 1 A 53 53 LYS C C 297 174.797 175.441 -0.644 1
1 626 . 14 1 1 A 53 53 LYS CA C 297 54.303 55.104 -0.801 1
1 627 . 14 1 1 A 53 53 LYS CB C 297 35.705 33.570 2.135 1
1 631 . 14 1 1 A 53 53 LYS N N 297 127.067 124.411 2.656 1
1 632 . 14 1 1 A 54 54 MET H H 298 8.379 8.880 -0.501 1
1 633 . 14 1 1 A 54 54 MET HA H 298 5.091 5.217 -0.126 1
1 641 . 14 1 1 A 54 54 MET CA C 298 55.427 54.223 1.204 1
1 642 . 14 1 1 A 54 54 MET CB C 298 34.100 34.520 -0.420 1
1 645 . 14 1 1 A 54 54 MET N N 298 128.992 122.941 6.051 1
1 646 . 14 1 1 A 55 55 ILE H H 299 8.279 8.983 -0.704 1
1 647 . 14 1 1 A 55 55 ILE HA H 299 4.602 5.270 -0.668 1
1 657 . 14 1 1 A 55 55 ILE CA C 299 59.130 59.191 -0.061 1
1 658 . 14 1 1 A 55 55 ILE CB C 299 42.747 42.276 0.471 1
1 662 . 14 1 1 A 56 56 VAL H H 300 9.227 8.720 0.507 1
1 663 . 14 1 1 A 56 56 VAL HA H 300 4.912 5.119 -0.207 1
1 671 . 14 1 1 A 56 56 VAL CA C 300 59.226 59.722 -0.496 1
1 672 . 14 1 1 A 56 56 VAL CB C 300 36.406 34.555 1.851 1
1 675 . 14 1 1 A 57 57 SER H H 301 8.794 8.611 0.183 1
1 676 . 14 1 1 A 57 57 SER HA H 301 4.575 5.179 -0.604 1
1 679 . 14 1 1 A 57 57 SER CA C 301 56.558 56.321 0.237 1
1 680 . 14 1 1 A 57 57 SER CB C 301 65.617 65.453 0.164 1
1 681 . 14 1 1 A 57 57 SER N N 301 128.893 116.510 12.383 1
1 682 . 14 1 1 A 58 58 GLU HA H 302 4.013 4.096 -0.083 1
1 687 . 14 1 1 A 58 58 GLU CA C 302 58.165 58.906 -0.741 1
1 688 . 14 1 1 A 58 58 GLU CB C 302 29.508 29.072 0.436 1
1 690 . 14 1 1 A 59 59 LYS HA H 303 4.114 4.319 -0.205 1
1 699 . 14 1 1 A 59 59 LYS C C 303 176.755 176.845 -0.090 1
1 700 . 14 1 1 A 59 59 LYS CA C 303 55.913 55.855 0.058 1
1 701 . 14 1 1 A 59 59 LYS CB C 303 31.679 32.874 -1.195 1
1 705 . 14 1 1 A 60 60 GLY H H 304 7.813 8.234 -0.421 1
1 706 . 14 1 1 A 60 60 GLY HA2 H 304 4.037 3.959 0.078 1
1 707 . 14 1 1 A 60 60 GLY HA3 H 304 3.411 3.966 -0.555 1
1 708 . 14 1 1 A 60 60 GLY C C 304 173.480 173.782 -0.302 1
1 709 . 14 1 1 A 60 60 GLY CA C 304 45.955 46.615 -0.660 1
1 710 . 14 1 1 A 60 60 GLY N N 304 113.597 108.266 5.331 1
1 711 . 14 1 1 A 61 61 LEU H H 305 7.253 7.228 0.025 1
1 712 . 14 1 1 A 61 61 LEU HA H 305 4.396 5.195 -0.799 1
1 722 . 14 1 1 A 61 61 LEU CA C 305 54.825 53.332 1.493 1
1 723 . 14 1 1 A 61 61 LEU CB C 305 43.099 46.562 -3.463 1
1 727 . 14 1 1 A 61 61 LEU N N 305 128.081 120.280 7.801 1
1 728 . 14 1 1 A 62 62 HIS H H 306 8.294 9.228 -0.934 1
1 733 . 14 1 1 A 62 62 HIS N N 306 130.344 125.949 4.395 1
1 734 . 14 1 1 A 63 63 SER HA H 307 5.980 5.091 0.889 1
1 737 . 14 1 1 A 63 63 SER CA C 307 57.517 57.908 -0.391 1
1 738 . 14 1 1 A 63 63 SER CB C 307 66.760 64.797 1.963 1
1 739 . 14 1 1 A 64 64 LEU H H 308 8.827 8.182 0.645 1
1 740 . 14 1 1 A 64 64 LEU HA H 308 4.657 4.454 0.203 1
1 750 . 14 1 1 A 64 64 LEU C C 308 174.337 174.334 0.003 1
1 751 . 14 1 1 A 64 64 LEU CA C 308 54.386 53.776 0.610 1
1 752 . 14 1 1 A 64 64 LEU CB C 308 42.678 44.956 -2.278 1
1 756 . 14 1 1 A 65 65 ILE H H 309 9.009 9.078 -0.069 1
1 757 . 14 1 1 A 65 65 ILE HA H 309 3.880 4.649 -0.769 1
1 767 . 14 1 1 A 65 65 ILE C C 309 173.963 174.286 -0.323 1
1 768 . 14 1 1 A 65 65 ILE CA C 309 60.296 59.670 0.626 1
1 769 . 14 1 1 A 65 65 ILE CB C 309 40.727 40.133 0.594 1
1 773 . 14 1 1 A 65 65 ILE N N 309 133.046 127.440 5.606 1
1 774 . 14 1 1 A 66 66 PHE H H 310 8.508 8.938 -0.430 1
1 775 . 14 1 1 A 66 66 PHE HA H 310 4.367 4.861 -0.494 1
1 783 . 14 1 1 A 66 66 PHE C C 310 174.555 175.797 -1.242 1
1 784 . 14 1 1 A 66 66 PHE CA C 310 54.878 56.000 -1.122 1
1 785 . 14 1 1 A 66 66 PHE CB C 310 38.819 39.556 -0.737 1
1 789 . 14 1 1 A 66 66 PHE N N 310 132.294 126.904 5.390 1
1 790 . 14 1 1 A 67 67 GLU H H 311 7.879 8.824 -0.945 1
1 791 . 14 1 1 A 67 67 GLU HA H 311 4.025 4.384 -0.359 1
1 796 . 14 1 1 A 67 67 GLU C C 311 177.819 177.199 0.620 1
1 797 . 14 1 1 A 67 67 GLU CA C 311 59.266 59.309 -0.043 1
1 798 . 14 1 1 A 67 67 GLU CB C 311 30.421 30.568 -0.147 1
1 800 . 14 1 1 A 67 67 GLU N N 311 127.092 124.374 2.718 1
1 801 . 14 1 1 A 68 68 VAL H H 312 7.428 7.603 -0.175 1
1 802 . 14 1 1 A 68 68 VAL HA H 312 3.402 4.492 -1.090 1
1 810 . 14 1 1 A 68 68 VAL C C 312 173.921 174.153 -0.232 1
1 811 . 14 1 1 A 68 68 VAL CA C 312 61.444 61.064 0.380 1
1 812 . 14 1 1 A 68 68 VAL CB C 312 34.790 32.865 1.925 1
1 815 . 14 1 1 A 68 68 VAL N N 312 120.315 116.907 3.408 1
1 816 . 14 1 1 A 69 69 VAL H H 313 8.233 8.781 -0.548 1
1 817 . 14 1 1 A 69 69 VAL HA H 313 3.829 4.172 -0.343 1
1 825 . 14 1 1 A 69 69 VAL C C 313 175.123 174.870 0.253 1
1 826 . 14 1 1 A 69 69 VAL CA C 313 63.200 62.828 0.372 1
1 827 . 14 1 1 A 69 69 VAL CB C 313 32.836 32.489 0.347 1
1 830 . 14 1 1 A 69 69 VAL N N 313 132.928 128.763 4.165 1
1 831 . 14 1 1 A 70 70 ARG H H 314 9.259 9.042 0.217 1
1 832 . 14 1 1 A 70 70 ARG HA H 314 4.776 4.713 0.063 1
1 839 . 14 1 1 A 70 70 ARG C C 314 177.491 176.775 0.716 1
1 840 . 14 1 1 A 70 70 ARG CA C 314 53.728 54.115 -0.387 1
1 841 . 14 1 1 A 70 70 ARG CB C 314 34.282 32.752 1.530 1
1 844 . 14 1 1 A 70 70 ARG N N 314 133.209 127.968 5.241 1
1 845 . 14 1 1 A 71 71 ALA H H 315 9.059 8.604 0.455 1
1 846 . 14 1 1 A 71 71 ALA HA H 315 3.676 4.015 -0.339 1
1 850 . 14 1 1 A 71 71 ALA C C 315 180.122 179.717 0.405 1
1 851 . 14 1 1 A 71 71 ALA CA C 315 56.356 55.162 1.194 1
1 852 . 14 1 1 A 71 71 ALA CB C 315 17.923 18.418 -0.495 1
1 853 . 14 1 1 A 71 71 ALA N N 315 131.839 124.460 7.379 1
1 854 . 14 1 1 A 72 72 SER H H 316 7.735 7.984 -0.249 1
1 855 . 14 1 1 A 72 72 SER HA H 316 4.046 4.241 -0.195 1
1 858 . 14 1 1 A 72 72 SER C C 316 175.495 174.540 0.955 1
1 859 . 14 1 1 A 72 72 SER CA C 316 60.037 61.270 -1.233 1
1 860 . 14 1 1 A 72 72 SER CB C 316 62.381 63.128 -0.747 1
1 861 . 14 1 1 A 72 72 SER N N 316 115.841 113.505 2.336 1
1 862 . 14 1 1 A 73 73 ASP H H 317 8.175 7.924 0.251 1
1 863 . 14 1 1 A 73 73 ASP HA H 317 4.644 4.718 -0.074 1
1 866 . 14 1 1 A 73 73 ASP C C 317 176.176 176.232 -0.056 1
1 867 . 14 1 1 A 73 73 ASP CA C 317 55.305 54.919 0.386 1
1 868 . 14 1 1 A 73 73 ASP CB C 317 42.572 41.385 1.187 1
1 869 . 14 1 1 A 73 73 ASP N N 317 126.327 119.256 7.071 1
1 870 . 14 1 1 A 74 74 ALA H H 318 7.339 6.913 0.426 1
1 871 . 14 1 1 A 74 74 ALA HA H 318 4.013 4.264 -0.251 1
1 875 . 14 1 1 A 74 74 ALA C C 318 176.813 177.264 -0.451 1
1 876 . 14 1 1 A 74 74 ALA CA C 318 53.570 53.133 0.437 1
1 877 . 14 1 1 A 74 74 ALA CB C 318 20.548 20.042 0.506 1
1 878 . 14 1 1 A 74 74 ALA N N 318 127.859 121.705 6.154 1
1 879 . 14 1 1 A 75 75 GLY H H 319 8.797 8.837 -0.040 1
1 880 . 14 1 1 A 75 75 GLY HA2 H 319 3.599 4.091 -0.492 1
1 881 . 14 1 1 A 75 75 GLY HA3 H 319 4.239 4.147 0.092 1
1 882 . 14 1 1 A 75 75 GLY C C 319 170.102 172.256 -2.154 1
1 883 . 14 1 1 A 75 75 GLY CA C 319 45.105 44.257 0.848 1
1 884 . 14 1 1 A 75 75 GLY N N 319 114.261 107.414 6.847 1
1 885 . 14 1 1 A 76 76 ALA H H 320 7.621 8.009 -0.388 1
1 886 . 14 1 1 A 76 76 ALA HA H 320 4.521 4.749 -0.228 1
1 890 . 14 1 1 A 76 76 ALA C C 320 176.291 176.548 -0.257 1
1 891 . 14 1 1 A 76 76 ALA CA C 320 51.158 51.553 -0.395 1
1 892 . 14 1 1 A 76 76 ALA CB C 320 19.242 19.364 -0.122 1
1 893 . 14 1 1 A 76 76 ALA N N 320 129.042 122.871 6.171 1
1 894 . 14 1 1 A 77 77 TYR H H 321 9.406 9.001 0.405 1
1 895 . 14 1 1 A 77 77 TYR HA H 321 5.237 5.238 -0.001 1
1 903 . 14 1 1 A 77 77 TYR C C 321 175.676 175.969 -0.293 1
1 904 . 14 1 1 A 77 77 TYR CA C 321 57.779 57.956 -0.177 1
1 905 . 14 1 1 A 77 77 TYR CB C 321 40.623 40.210 0.413 1
1 908 . 14 1 1 A 77 77 TYR N N 321 132.635 123.644 8.991 1
1 909 . 14 1 1 A 78 78 ALA H H 322 9.084 9.072 0.012 1
1 910 . 14 1 1 A 78 78 ALA HA H 322 5.031 5.333 -0.302 1
1 914 . 14 1 1 A 78 78 ALA CA C 322 50.120 51.342 -1.222 1
1 915 . 14 1 1 A 78 78 ALA CB C 322 21.653 24.121 -2.468 1
1 916 . 14 1 1 A 78 78 ALA N N 322 130.291 122.247 8.044 1
1 917 . 14 1 1 A 79 79 CYS H H 323 7.932 8.996 -1.064 1
1 918 . 14 1 1 A 79 79 CYS HA H 323 4.037 5.024 -0.987 1
1 919 . 14 1 1 A 79 79 CYS C C 323 173.727 172.738 0.989 1
1 920 . 14 1 1 A 79 79 CYS CA C 323 56.345 57.057 -0.712 1
1 921 . 14 1 1 A 80 80 VAL H H 324 8.671 8.750 -0.079 1
1 922 . 14 1 1 A 80 80 VAL HA H 324 4.596 4.795 -0.199 1
1 930 . 14 1 1 A 80 80 VAL C C 324 174.904 174.282 0.622 1
1 931 . 14 1 1 A 80 80 VAL CA C 324 60.907 60.355 0.552 1
1 932 . 14 1 1 A 80 80 VAL CB C 324 34.334 34.691 -0.357 1
1 934 . 14 1 1 A 80 80 VAL N N 324 135.079 123.994 11.085 1
1 935 . 14 1 1 A 81 81 ALA H H 325 9.107 9.000 0.107 1
1 936 . 14 1 1 A 81 81 ALA HA H 325 5.220 5.402 -0.182 1
1 940 . 14 1 1 A 81 81 ALA C C 325 175.446 175.902 -0.456 1
1 941 . 14 1 1 A 81 81 ALA CA C 325 49.197 50.254 -1.057 1
1 942 . 14 1 1 A 81 81 ALA CB C 325 22.479 21.622 0.857 1
1 943 . 14 1 1 A 81 81 ALA N N 325 136.369 128.717 7.652 1
1 944 . 14 1 1 A 82 82 LYS H H 326 8.734 9.082 -0.348 1
1 945 . 14 1 1 A 82 82 LYS HA H 326 5.021 5.180 -0.159 1
1 954 . 14 1 1 A 82 82 LYS C C 326 175.054 175.376 -0.322 1
1 955 . 14 1 1 A 82 82 LYS CA C 326 55.451 54.607 0.844 1
1 956 . 14 1 1 A 82 82 LYS CB C 326 37.852 36.039 1.813 1
1 960 . 14 1 1 A 82 82 LYS N N 326 128.038 122.796 5.242 1
1 961 . 14 1 1 A 83 83 ASN H H 327 8.949 8.712 0.237 1
1 962 . 14 1 1 A 83 83 ASN HA H 327 4.624 5.112 -0.488 1
1 967 . 14 1 1 A 83 83 ASN C C 327 176.409 175.580 0.829 1
1 968 . 14 1 1 A 83 83 ASN CA C 327 51.838 51.290 0.548 1
1 969 . 14 1 1 A 83 83 ASN CB C 327 40.927 39.897 1.030 1
1 970 . 14 1 1 A 83 83 ASN N N 327 128.769 121.563 7.206 1
1 972 . 14 1 1 A 84 84 ARG H H 328 8.203 9.123 -0.920 1
1 973 . 14 1 1 A 84 84 ARG HA H 328 3.917 4.073 -0.156 1
1 981 . 14 1 1 A 84 84 ARG C C 328 175.820 176.070 -0.250 1
1 982 . 14 1 1 A 84 84 ARG CA C 328 58.250 58.103 0.147 1
1 983 . 14 1 1 A 84 84 ARG CB C 328 29.985 29.641 0.344 1
1 986 . 14 1 1 A 84 84 ARG N N 328 121.021 117.812 3.209 1
1 988 . 14 1 1 A 85 85 ALA H H 329 7.599 8.078 -0.479 1
1 989 . 14 1 1 A 85 85 ALA HA H 329 4.279 4.505 -0.226 1
1 993 . 14 1 1 A 85 85 ALA C C 329 177.261 176.930 0.331 1
1 994 . 14 1 1 A 85 85 ALA CA C 329 51.905 51.977 -0.072 1
1 995 . 14 1 1 A 85 85 ALA CB C 329 19.637 20.819 -1.182 1
1 996 . 14 1 1 A 85 85 ALA N N 329 125.074 121.321 3.753 1
1 997 . 14 1 1 A 86 86 GLY H H 330 7.624 7.161 0.463 1
1 998 . 14 1 1 A 86 86 GLY HA2 H 330 3.806 4.052 -0.246 1
1 999 . 14 1 1 A 86 86 GLY HA3 H 330 4.164 4.055 0.109 1
1 1000 . 14 1 1 A 86 86 GLY C C 330 169.646 170.964 -1.318 1
1 1001 . 14 1 1 A 86 86 GLY CA C 330 46.012 46.036 -0.024 1
1 1002 . 14 1 1 A 86 86 GLY N N 330 112.891 103.574 9.317 1
1 1003 . 14 1 1 A 87 87 GLU H H 331 8.213 8.515 -0.302 1
1 1004 . 14 1 1 A 87 87 GLU HA H 331 5.274 5.306 -0.032 1
1 1009 . 14 1 1 A 87 87 GLU C C 331 174.418 174.742 -0.324 1
1 1010 . 14 1 1 A 87 87 GLU CA C 331 54.349 54.889 -0.540 1
1 1011 . 14 1 1 A 87 87 GLU CB C 331 34.615 33.546 1.069 1
1 1013 . 14 1 1 A 87 87 GLU N N 331 123.208 120.139 3.069 1
1 1014 . 14 1 1 A 88 88 ALA H H 332 8.897 8.882 0.015 1
1 1015 . 14 1 1 A 88 88 ALA HA H 332 4.569 4.635 -0.066 1
1 1019 . 14 1 1 A 88 88 ALA C C 332 175.121 174.723 0.398 1
1 1020 . 14 1 1 A 88 88 ALA CA C 332 51.592 49.931 1.661 1
1 1021 . 14 1 1 A 88 88 ALA CB C 332 23.324 23.075 0.249 1
1 1022 . 14 1 1 A 88 88 ALA N N 332 131.757 126.207 5.550 1
1 1023 . 14 1 1 A 89 89 THR H H 333 8.521 7.339 1.182 1
1 1024 . 14 1 1 A 89 89 THR HA H 333 5.661 4.909 0.752 1
1 1029 . 14 1 1 A 89 89 THR C C 333 173.827 172.783 1.044 1
1 1030 . 14 1 1 A 89 89 THR CA C 333 60.601 60.676 -0.075 1
1 1031 . 14 1 1 A 89 89 THR CB C 333 72.140 72.070 0.070 1
1 1033 . 14 1 1 A 89 89 THR N N 333 121.100 113.455 7.645 1
1 1034 . 14 1 1 A 90 90 PHE H H 334 8.603 8.899 -0.296 1
1 1035 . 14 1 1 A 90 90 PHE HA H 334 4.624 5.424 -0.800 1
1 1043 . 14 1 1 A 90 90 PHE CA C 334 56.618 56.143 0.475 1
1 1044 . 14 1 1 A 90 90 PHE CB C 334 42.489 43.507 -1.018 1
1 1048 . 14 1 1 A 91 91 THR H H 335 8.174 8.957 -0.783 1
1 1049 . 14 1 1 A 91 91 THR HA H 335 5.445 5.273 0.172 1
1 1054 . 14 1 1 A 91 91 THR CA C 335 60.110 61.541 -1.431 1
1 1055 . 14 1 1 A 91 91 THR CB C 335 71.671 72.268 -0.597 1
1 1057 . 14 1 1 A 92 92 VAL H H 336 9.158 8.904 0.254 1
1 1058 . 14 1 1 A 92 92 VAL HA H 336 4.432 4.939 -0.507 1
1 1066 . 14 1 1 A 92 92 VAL C C 336 171.594 173.467 -1.873 1
1 1067 . 14 1 1 A 92 92 VAL CA C 336 60.914 60.092 0.822 1
1 1068 . 14 1 1 A 92 92 VAL CB C 336 35.760 35.931 -0.171 1
1 1071 . 14 1 1 A 92 92 VAL N N 336 130.220 122.010 8.210 1
1 1072 . 14 1 1 A 93 93 GLN H H 337 8.302 8.600 -0.298 1
1 1073 . 14 1 1 A 93 93 GLN HA H 337 4.756 5.378 -0.622 1
1 1080 . 14 1 1 A 93 93 GLN C C 337 174.009 173.395 0.614 1
1 1081 . 14 1 1 A 93 93 GLN CA C 337 54.672 54.401 0.271 1
1 1082 . 14 1 1 A 93 93 GLN CB C 337 30.071 32.737 -2.666 1
1 1084 . 14 1 1 A 93 93 GLN N N 337 133.412 125.828 7.584 1
1 1086 . 14 1 1 A 94 94 LEU H H 338 8.812 9.227 -0.415 1
1 1087 . 14 1 1 A 94 94 LEU HA H 338 4.836 4.886 -0.050 1
1 1097 . 14 1 1 A 94 94 LEU C C 338 175.099 174.863 0.236 1
1 1098 . 14 1 1 A 94 94 LEU CA C 338 53.725 53.874 -0.149 1
1 1099 . 14 1 1 A 94 94 LEU CB C 338 44.955 45.170 -0.215 1
1 1103 . 14 1 1 A 94 94 LEU N N 338 133.816 127.188 6.628 1
1 1104 . 14 1 1 A 95 95 ASP H H 339 8.747 9.036 -0.289 1
1 1105 . 14 1 1 A 95 95 ASP HA H 339 4.871 4.880 -0.009 1
1 1108 . 14 1 1 A 95 95 ASP C C 339 174.295 175.538 -1.243 1
1 1109 . 14 1 1 A 95 95 ASP CA C 339 53.311 54.463 -1.152 1
1 1110 . 14 1 1 A 95 95 ASP CB C 339 42.895 41.629 1.266 1
1 1111 . 14 1 1 A 95 95 ASP N N 339 134.770 127.201 7.569 1
1 1112 . 14 1 1 A 96 96 VAL H H 340 7.745 8.688 -0.943 1
1 1113 . 14 1 1 A 96 96 VAL HA H 340 4.653 4.575 0.078 1
1 1121 . 14 1 1 A 96 96 VAL C C 340 175.494 175.286 0.208 1
1 1122 . 14 1 1 A 96 96 VAL CA C 340 60.722 61.329 -0.607 1
1 1123 . 14 1 1 A 96 96 VAL CB C 340 33.852 33.463 0.389 1
1 1126 . 14 1 1 A 96 96 VAL N N 340 128.328 122.986 5.342 1
1 1127 . 14 1 1 A 97 97 LEU H H 341 8.524 8.957 -0.433 1
1 1128 . 14 1 1 A 97 97 LEU HA H 341 4.243 4.549 -0.306 1
1 1138 . 14 1 1 A 97 97 LEU C C 341 176.052 176.436 -0.384 1
1 1139 . 14 1 1 A 97 97 LEU CA C 341 54.086 54.583 -0.497 1
1 1140 . 14 1 1 A 97 97 LEU CB C 341 41.446 40.909 0.537 1
1 1144 . 14 1 1 A 97 97 LEU N N 341 136.554 129.117 7.437 1
1 1145 . 14 1 1 A 98 98 ALA H H 342 8.344 8.583 -0.239 1
1 1146 . 14 1 1 A 98 98 ALA HA H 342 4.227 4.341 -0.114 1
1 1150 . 14 1 1 A 98 98 ALA C C 342 177.569 176.764 0.805 1
1 1151 . 14 1 1 A 98 98 ALA CA C 342 51.964 52.699 -0.735 1
1 1152 . 14 1 1 A 98 98 ALA CB C 342 19.976 19.189 0.787 1
1 1153 . 14 1 1 A 98 98 ALA N N 342 134.558 128.318 6.240 1
1 1154 . 14 1 1 A 99 99 LYS H H 343 8.552 9.161 -0.609 1
1 1155 . 14 1 1 A 99 99 LYS HA H 343 4.119 4.482 -0.363 1
1 1164 . 14 1 1 A 99 99 LYS C C 343 175.859 177.878 -2.019 1
1 1165 . 14 1 1 A 99 99 LYS CA C 343 56.453 56.863 -0.410 1
1 1166 . 14 1 1 A 99 99 LYS CB C 343 33.257 35.717 -2.460 1
1 1170 . 14 1 1 A 99 99 LYS N N 343 128.906 121.521 7.385 1
1 4 . 15 1 1 A 2 2 ALA HA H -3 4.167 4.378 -0.211 1
1 8 . 15 1 1 A 2 2 ALA C C -3 177.254 177.181 0.073 1
1 9 . 15 1 1 A 2 2 ALA CA C -3 52.427 52.096 0.331 1
1 10 . 15 1 1 A 2 2 ALA CB C -3 19.740 19.989 -0.249 1
1 11 . 15 1 1 A 3 3 MET H H -2 8.135 8.826 -0.691 1
1 12 . 15 1 1 A 3 3 MET HA H -2 4.351 5.054 -0.703 1
1 20 . 15 1 1 A 3 3 MET C C -2 176.007 174.912 1.095 1
1 21 . 15 1 1 A 3 3 MET CA C -2 55.444 53.464 1.980 1
1 22 . 15 1 1 A 3 3 MET CB C -2 34.277 36.303 -2.026 1
1 25 . 15 1 1 A 3 3 MET N N -2 125.628 114.377 11.251 1
1 43 . 15 1 1 A 6 6 PRO HA H 250 4.591 4.693 -0.102 1
1 50 . 15 1 1 A 6 6 PRO C C 250 175.444 175.439 0.005 1
1 51 . 15 1 1 A 6 6 PRO CA C 250 61.829 62.823 -0.994 1
1 52 . 15 1 1 A 6 6 PRO CB C 250 32.464 32.367 0.097 1
1 55 . 15 1 1 A 7 7 ARG H H 251 7.588 8.622 -1.034 1
1 56 . 15 1 1 A 7 7 ARG HA H 251 4.078 4.802 -0.724 1
1 64 . 15 1 1 A 7 7 ARG C C 251 175.065 174.943 0.122 1
1 65 . 15 1 1 A 7 7 ARG CA C 251 54.552 55.095 -0.543 1
1 66 . 15 1 1 A 7 7 ARG CB C 251 33.587 34.019 -0.432 1
1 69 . 15 1 1 A 7 7 ARG N N 251 124.900 123.057 1.843 1
1 71 . 15 1 1 A 8 8 PHE H H 252 8.893 8.943 -0.050 1
1 72 . 15 1 1 A 8 8 PHE HA H 252 4.708 4.490 0.218 1
1 80 . 15 1 1 A 8 8 PHE CA C 252 59.744 59.401 0.343 1
1 81 . 15 1 1 A 8 8 PHE CB C 252 39.263 39.032 0.231 1
1 85 . 15 1 1 A 8 8 PHE N N 252 128.828 124.431 4.397 1
1 86 . 15 1 1 A 9 9 ILE H H 253 8.223 8.535 -0.312 1
1 87 . 15 1 1 A 9 9 ILE HA H 253 4.090 4.221 -0.131 1
1 97 . 15 1 1 A 9 9 ILE C C 253 175.698 176.223 -0.525 1
1 98 . 15 1 1 A 9 9 ILE CA C 253 61.230 62.640 -1.410 1
1 99 . 15 1 1 A 9 9 ILE CB C 253 39.165 38.504 0.661 1
1 103 . 15 1 1 A 9 9 ILE N N 253 128.239 125.736 2.503 1
1 104 . 15 1 1 A 10 10 GLN H H 254 7.437 7.401 0.036 1
1 105 . 15 1 1 A 10 10 GLN HA H 254 4.450 4.686 -0.236 1
1 112 . 15 1 1 A 10 10 GLN C C 254 174.149 173.954 0.195 1
1 113 . 15 1 1 A 10 10 GLN CA C 254 56.197 55.546 0.651 1
1 114 . 15 1 1 A 10 10 GLN CB C 254 32.367 30.976 1.391 1
1 116 . 15 1 1 A 10 10 GLN N N 254 127.323 116.726 10.597 1
1 118 . 15 1 1 A 11 11 VAL H H 255 8.283 8.608 -0.325 1
1 119 . 15 1 1 A 11 11 VAL HA H 255 4.185 4.114 0.071 1
1 127 . 15 1 1 A 11 11 VAL CA C 255 57.931 60.727 -2.796 1
1 128 . 15 1 1 A 11 11 VAL CB C 255 33.230 31.838 1.392 1
1 131 . 15 1 1 A 11 11 VAL N N 255 126.734 124.197 2.537 1
1 132 . 15 1 1 A 12 12 PRO HA H 256 4.538 4.374 0.164 1
1 139 . 15 1 1 A 12 12 PRO CA C 256 62.209 62.090 0.119 1
1 140 . 15 1 1 A 12 12 PRO CB C 256 31.724 31.956 -0.232 1
1 143 . 15 1 1 A 13 13 GLU H H 257 7.870 8.499 -0.629 1
1 144 . 15 1 1 A 13 13 GLU HA H 257 4.257 4.476 -0.219 1
1 149 . 15 1 1 A 13 13 GLU CA C 257 54.764 56.218 -1.454 1
1 150 . 15 1 1 A 13 13 GLU CB C 257 31.690 30.528 1.162 1
1 152 . 15 1 1 A 13 13 GLU N N 257 124.369 120.714 3.655 1
1 153 . 15 1 1 A 14 14 ASN H H 258 8.133 8.623 -0.490 1
1 154 . 15 1 1 A 14 14 ASN HA H 258 4.639 4.728 -0.089 1
1 159 . 15 1 1 A 14 14 ASN CA C 258 54.285 53.247 1.038 1
1 160 . 15 1 1 A 14 14 ASN CB C 258 38.023 38.822 -0.799 1
1 161 . 15 1 1 A 14 14 ASN N N 258 123.151 120.390 2.761 1
1 163 . 15 1 1 A 15 15 MET H H 259 8.295 9.010 -0.715 1
1 164 . 15 1 1 A 15 15 MET HA H 259 4.695 5.250 -0.555 1
1 172 . 15 1 1 A 15 15 MET C C 259 174.675 174.017 0.658 1
1 173 . 15 1 1 A 15 15 MET CA C 259 55.153 54.052 1.101 1
1 174 . 15 1 1 A 15 15 MET CB C 259 38.064 37.234 0.830 1
1 177 . 15 1 1 A 15 15 MET N N 259 125.442 120.270 5.172 1
1 178 . 15 1 1 A 16 16 SER H H 260 8.332 8.700 -0.368 1
1 179 . 15 1 1 A 16 16 SER HA H 260 5.261 5.423 -0.162 1
1 182 . 15 1 1 A 16 16 SER C C 260 172.889 172.781 0.108 1
1 183 . 15 1 1 A 16 16 SER CA C 260 56.748 57.536 -0.788 1
1 184 . 15 1 1 A 16 16 SER CB C 260 64.170 65.176 -1.006 1
1 185 . 15 1 1 A 16 16 SER N N 260 125.417 114.489 10.928 1
1 186 . 15 1 1 A 17 17 ILE H H 261 8.394 9.011 -0.617 1
1 187 . 15 1 1 A 17 17 ILE HA H 261 4.366 4.537 -0.171 1
1 197 . 15 1 1 A 17 17 ILE C C 261 173.465 175.156 -1.691 1
1 198 . 15 1 1 A 17 17 ILE CA C 261 57.461 59.959 -2.498 1
1 199 . 15 1 1 A 17 17 ILE CB C 261 41.882 41.487 0.395 1
1 203 . 15 1 1 A 17 17 ILE N N 261 131.680 126.235 5.445 1
1 204 . 15 1 1 A 18 18 ASP H H 262 8.043 8.700 -0.657 1
1 205 . 15 1 1 A 18 18 ASP HA H 262 4.498 4.610 -0.112 1
1 208 . 15 1 1 A 18 18 ASP C C 262 174.970 175.835 -0.865 1
1 209 . 15 1 1 A 18 18 ASP CA C 262 54.962 54.456 0.506 1
1 210 . 15 1 1 A 18 18 ASP CB C 262 41.518 41.134 0.384 1
1 211 . 15 1 1 A 18 18 ASP N N 262 132.455 126.795 5.660 1
1 212 . 15 1 1 A 19 19 GLU H H 263 8.058 8.798 -0.740 1
1 213 . 15 1 1 A 19 19 GLU HA H 263 3.322 3.898 -0.576 1
1 218 . 15 1 1 A 19 19 GLU C C 263 176.656 177.232 -0.576 1
1 219 . 15 1 1 A 19 19 GLU CA C 263 58.351 58.297 0.054 1
1 220 . 15 1 1 A 19 19 GLU CB C 263 29.716 29.238 0.478 1
1 222 . 15 1 1 A 19 19 GLU N N 263 126.424 124.739 1.685 1
1 223 . 15 1 1 A 20 20 GLY H H 264 9.131 9.135 -0.004 1
1 224 . 15 1 1 A 20 20 GLY HA2 H 264 3.366 4.018 -0.652 1
1 225 . 15 1 1 A 20 20 GLY HA3 H 264 4.196 4.021 0.175 1
1 226 . 15 1 1 A 20 20 GLY C C 264 174.582 175.047 -0.465 1
1 227 . 15 1 1 A 20 20 GLY CA C 264 44.837 45.115 -0.278 1
1 228 . 15 1 1 A 20 20 GLY N N 264 119.124 114.804 4.320 1
1 229 . 15 1 1 A 21 21 ARG H H 265 7.192 7.458 -0.266 1
1 230 . 15 1 1 A 21 21 ARG HA H 265 4.377 4.439 -0.062 1
1 238 . 15 1 1 A 21 21 ARG C C 265 174.091 175.786 -1.695 1
1 239 . 15 1 1 A 21 21 ARG CA C 265 55.263 55.900 -0.637 1
1 240 . 15 1 1 A 21 21 ARG CB C 265 31.467 31.711 -0.244 1
1 243 . 15 1 1 A 21 21 ARG N N 265 126.182 120.366 5.816 1
1 245 . 15 1 1 A 22 22 PHE H H 266 7.699 8.814 -1.115 1
1 246 . 15 1 1 A 22 22 PHE HA H 266 4.688 5.004 -0.316 1
1 254 . 15 1 1 A 22 22 PHE C C 266 175.911 174.950 0.961 1
1 255 . 15 1 1 A 22 22 PHE CA C 266 57.132 59.265 -2.133 1
1 256 . 15 1 1 A 22 22 PHE CB C 266 41.270 40.078 1.192 1
1 260 . 15 1 1 A 22 22 PHE N N 266 127.111 122.484 4.627 1
1 261 . 15 1 1 A 23 23 CYS H H 267 8.140 8.366 -0.226 1
1 262 . 15 1 1 A 23 23 CYS HA H 267 4.282 4.976 -0.694 1
1 265 . 15 1 1 A 23 23 CYS C C 267 170.233 172.627 -2.394 1
1 266 . 15 1 1 A 23 23 CYS CA C 267 57.626 57.742 -0.116 1
1 267 . 15 1 1 A 23 23 CYS CB C 267 30.411 32.413 -2.002 1
1 268 . 15 1 1 A 23 23 CYS N N 267 130.194 125.593 4.601 1
1 269 . 15 1 1 A 24 24 ARG H H 268 8.160 8.919 -0.759 1
1 270 . 15 1 1 A 24 24 ARG HA H 268 5.167 5.218 -0.051 1
1 278 . 15 1 1 A 24 24 ARG CA C 268 53.910 53.980 -0.070 1
1 279 . 15 1 1 A 24 24 ARG CB C 268 35.114 34.452 0.662 1
1 283 . 15 1 1 A 25 25 MET H H 269 8.839 8.726 0.113 1
1 284 . 15 1 1 A 25 25 MET HA H 269 4.518 5.480 -0.962 1
1 292 . 15 1 1 A 25 25 MET C C 269 174.090 174.984 -0.894 1
1 293 . 15 1 1 A 25 25 MET CA C 269 54.960 53.948 1.012 1
1 294 . 15 1 1 A 25 25 MET CB C 269 35.645 36.783 -1.138 1
1 297 . 15 1 1 A 25 25 MET N N 269 127.757 119.307 8.450 1
1 298 . 15 1 1 A 26 26 ASP H H 270 8.473 8.915 -0.442 1
1 299 . 15 1 1 A 26 26 ASP HA H 270 5.772 5.480 0.292 1
1 302 . 15 1 1 A 26 26 ASP CA C 270 53.157 53.520 -0.363 1
1 303 . 15 1 1 A 26 26 ASP CB C 270 43.595 42.450 1.145 1
1 304 . 15 1 1 A 26 26 ASP N N 270 129.880 120.649 9.231 1
1 305 . 15 1 1 A 27 27 PHE H H 271 9.180 9.295 -0.115 1
1 306 . 15 1 1 A 27 27 PHE HA H 271 5.014 5.061 -0.047 1
1 314 . 15 1 1 A 27 27 PHE CA C 271 55.904 56.221 -0.317 1
1 317 . 15 1 1 A 27 27 PHE N N 271 123.116 123.834 -0.718 1
1 318 . 15 1 1 A 28 28 LYS H H 272 9.221 8.746 0.475 1
1 327 . 15 1 1 A 28 28 LYS CA C 272 59.294 56.540 2.754 1
1 328 . 15 1 1 A 28 28 LYS CB C 272 38.090 32.775 5.315 1
1 332 . 15 1 1 A 28 28 LYS N N 272 131.321 124.977 6.344 1
1 333 . 15 1 1 A 29 29 VAL H H 273 8.304 8.546 -0.242 1
1 334 . 15 1 1 A 29 29 VAL HA H 273 4.331 4.703 -0.372 1
1 342 . 15 1 1 A 29 29 VAL C C 273 175.240 173.357 1.883 1
1 343 . 15 1 1 A 29 29 VAL CA C 273 61.020 59.785 1.235 1
1 344 . 15 1 1 A 29 29 VAL CB C 273 33.889 35.311 -1.422 1
1 347 . 15 1 1 A 30 30 SER H H 274 8.545 8.240 0.305 1
1 348 . 15 1 1 A 30 30 SER HA H 274 4.647 5.452 -0.805 1
1 351 . 15 1 1 A 30 30 SER C C 274 172.993 174.230 -1.237 1
1 352 . 15 1 1 A 30 30 SER CA C 274 56.505 57.249 -0.744 1
1 353 . 15 1 1 A 30 30 SER CB C 274 65.805 65.244 0.561 1
1 354 . 15 1 1 A 30 30 SER N N 274 129.796 124.856 4.940 1
1 355 . 15 1 1 A 31 31 GLY H H 275 7.712 8.366 -0.654 1
1 356 . 15 1 1 A 31 31 GLY HA2 H 275 3.220 4.262 -1.042 1
1 357 . 15 1 1 A 31 31 GLY HA3 H 275 3.649 4.262 -0.613 1
1 358 . 15 1 1 A 31 31 GLY C C 275 170.984 171.915 -0.931 1
1 359 . 15 1 1 A 31 31 GLY CA C 275 45.099 45.594 -0.495 1
1 360 . 15 1 1 A 31 31 GLY N N 275 115.009 111.686 3.323 1
1 361 . 15 1 1 A 32 32 LEU H H 276 7.668 8.653 -0.985 1
1 362 . 15 1 1 A 32 32 LEU HA H 276 4.301 4.915 -0.614 1
1 372 . 15 1 1 A 32 32 LEU C C 276 173.812 174.669 -0.857 1
1 373 . 15 1 1 A 32 32 LEU CA C 276 52.370 51.547 0.823 1
1 374 . 15 1 1 A 32 32 LEU CB C 276 45.554 46.062 -0.508 1
1 378 . 15 1 1 A 32 32 LEU N N 276 129.727 121.059 8.668 1
1 379 . 15 1 1 A 33 33 PRO HA H 277 4.416 4.642 -0.226 1
1 386 . 15 1 1 A 33 33 PRO CA C 277 62.576 62.374 0.202 1
1 387 . 15 1 1 A 33 33 PRO CB C 277 35.012 32.674 2.338 1
1 390 . 15 1 1 A 34 34 ALA H H 278 8.598 8.345 0.253 1
1 391 . 15 1 1 A 34 34 ALA HA H 278 4.153 4.322 -0.169 1
1 395 . 15 1 1 A 34 34 ALA CA C 278 50.822 50.713 0.109 1
1 396 . 15 1 1 A 34 34 ALA CB C 278 17.462 19.083 -1.621 1
1 397 . 15 1 1 A 34 34 ALA N N 278 131.518 124.357 7.161 1
1 398 . 15 1 1 A 35 35 PRO HA H 279 4.206 4.640 -0.434 1
1 405 . 15 1 1 A 35 35 PRO C C 279 175.701 176.230 -0.529 1
1 406 . 15 1 1 A 35 35 PRO CA C 279 62.628 62.395 0.233 1
1 407 . 15 1 1 A 35 35 PRO CB C 279 33.069 32.360 0.709 1
1 410 . 15 1 1 A 36 36 ASP H H 280 8.621 8.703 -0.082 1
1 411 . 15 1 1 A 36 36 ASP HA H 280 4.659 4.612 0.047 1
1 414 . 15 1 1 A 36 36 ASP C C 280 176.057 175.211 0.846 1
1 415 . 15 1 1 A 36 36 ASP CA C 280 54.307 53.916 0.391 1
1 416 . 15 1 1 A 36 36 ASP CB C 280 42.741 41.809 0.932 1
1 417 . 15 1 1 A 36 36 ASP N N 280 127.555 121.850 5.705 1
1 418 . 15 1 1 A 37 37 VAL H H 281 8.635 8.469 0.166 1
1 419 . 15 1 1 A 37 37 VAL HA H 281 4.938 4.865 0.073 1
1 427 . 15 1 1 A 37 37 VAL CA C 281 61.135 60.240 0.895 1
1 428 . 15 1 1 A 37 37 VAL CB C 281 34.579 34.758 -0.179 1
1 431 . 15 1 1 A 38 38 SER H H 282 8.591 8.231 0.360 1
1 432 . 15 1 1 A 38 38 SER HA H 282 4.518 5.468 -0.950 1
1 435 . 15 1 1 A 38 38 SER CA C 282 57.540 57.177 0.363 1
1 436 . 15 1 1 A 38 38 SER CB C 282 66.530 66.234 0.296 1
1 437 . 15 1 1 A 38 38 SER N N 282 128.264 124.656 3.608 1
1 438 . 15 1 1 A 39 39 TRP H H 283 8.426 8.405 0.021 1
1 439 . 15 1 1 A 39 39 TRP HA H 283 5.297 5.444 -0.147 1
1 448 . 15 1 1 A 39 39 TRP CA C 283 56.298 55.721 0.577 1
1 449 . 15 1 1 A 39 39 TRP CB C 283 33.153 34.224 -1.071 1
1 455 . 15 1 1 A 39 39 TRP N N 283 127.698 121.474 6.224 1
1 456 . 15 1 1 A 40 40 TYR H H 284 9.373 9.222 0.151 1
1 457 . 15 1 1 A 40 40 TYR HA H 284 4.903 5.371 -0.468 1
1 464 . 15 1 1 A 40 40 TYR C C 284 174.148 174.580 -0.432 1
1 465 . 15 1 1 A 40 40 TYR CA C 284 56.849 56.195 0.654 1
1 466 . 15 1 1 A 40 40 TYR CB C 284 42.754 43.273 -0.519 1
1 469 . 15 1 1 A 40 40 TYR N N 284 125.437 119.532 5.905 1
1 470 . 15 1 1 A 41 41 LEU H H 285 8.898 9.147 -0.249 1
1 471 . 15 1 1 A 41 41 LEU HA H 285 4.255 4.565 -0.310 1
1 481 . 15 1 1 A 41 41 LEU C C 285 176.606 175.459 1.147 1
1 482 . 15 1 1 A 41 41 LEU CA C 285 53.659 53.946 -0.287 1
1 483 . 15 1 1 A 41 41 LEU CB C 285 43.740 44.749 -1.009 1
1 487 . 15 1 1 A 41 41 LEU N N 285 129.512 122.492 7.020 1
1 488 . 15 1 1 A 42 42 ASN H H 286 9.454 9.484 -0.030 1
1 489 . 15 1 1 A 42 42 ASN HA H 286 4.221 4.421 -0.200 1
1 494 . 15 1 1 A 42 42 ASN C C 286 175.692 175.267 0.425 1
1 495 . 15 1 1 A 42 42 ASN CA C 286 54.239 54.400 -0.161 1
1 496 . 15 1 1 A 42 42 ASN CB C 286 37.331 36.962 0.369 1
1 497 . 15 1 1 A 42 42 ASN N N 286 134.097 126.390 7.707 1
1 499 . 15 1 1 A 43 43 GLY H H 287 8.709 8.350 0.359 1
1 500 . 15 1 1 A 43 43 GLY HA2 H 287 3.356 3.916 -0.560 1
1 501 . 15 1 1 A 43 43 GLY HA3 H 287 3.995 3.935 0.060 1
1 502 . 15 1 1 A 43 43 GLY C C 287 173.786 174.526 -0.740 1
1 503 . 15 1 1 A 43 43 GLY CA C 287 45.450 45.119 0.331 1
1 504 . 15 1 1 A 43 43 GLY N N 287 108.807 104.975 3.832 1
1 505 . 15 1 1 A 44 44 ARG H H 288 7.902 7.599 0.303 1
1 506 . 15 1 1 A 44 44 ARG HA H 288 4.697 4.599 0.098 1
1 514 . 15 1 1 A 44 44 ARG C C 288 175.799 176.359 -0.560 1
1 515 . 15 1 1 A 44 44 ARG CA C 288 54.658 55.364 -0.706 1
1 516 . 15 1 1 A 44 44 ARG CB C 288 32.436 31.542 0.894 1
1 519 . 15 1 1 A 44 44 ARG N N 288 127.837 120.300 7.537 1
1 521 . 15 1 1 A 45 45 THR H H 289 8.539 8.630 -0.091 1
1 522 . 15 1 1 A 45 45 THR HA H 289 3.763 4.366 -0.603 1
1 527 . 15 1 1 A 45 45 THR C C 289 174.692 174.462 0.230 1
1 528 . 15 1 1 A 45 45 THR CA C 289 63.977 61.930 2.047 1
1 529 . 15 1 1 A 45 45 THR CB C 289 69.706 69.842 -0.136 1
1 531 . 15 1 1 A 45 45 THR N N 289 126.100 113.713 12.387 1
1 532 . 15 1 1 A 46 46 VAL H H 290 8.033 8.312 -0.279 1
1 533 . 15 1 1 A 46 46 VAL HA H 290 3.647 4.511 -0.864 1
1 541 . 15 1 1 A 46 46 VAL C C 290 174.672 175.446 -0.774 1
1 542 . 15 1 1 A 46 46 VAL CA C 290 62.458 61.384 1.074 1
1 543 . 15 1 1 A 46 46 VAL CB C 290 32.500 34.465 -1.965 1
1 546 . 15 1 1 A 46 46 VAL N N 290 134.795 121.587 13.208 1
1 547 . 15 1 1 A 47 47 GLN H H 291 8.124 8.624 -0.500 1
1 548 . 15 1 1 A 47 47 GLN HA H 291 4.281 4.431 -0.150 1
1 555 . 15 1 1 A 47 47 GLN C C 291 175.398 175.452 -0.054 1
1 556 . 15 1 1 A 47 47 GLN CA C 291 54.235 55.652 -1.417 1
1 557 . 15 1 1 A 47 47 GLN CB C 291 30.283 29.791 0.492 1
1 559 . 15 1 1 A 47 47 GLN N N 291 132.792 127.165 5.627 1
1 561 . 15 1 1 A 48 48 SER H H 292 8.280 8.504 -0.224 1
1 562 . 15 1 1 A 48 48 SER HA H 292 4.308 4.523 -0.215 1
1 565 . 15 1 1 A 48 48 SER C C 292 174.304 173.869 0.435 1
1 566 . 15 1 1 A 48 48 SER CA C 292 58.222 57.962 0.260 1
1 567 . 15 1 1 A 48 48 SER CB C 292 63.719 64.446 -0.727 1
1 568 . 15 1 1 A 48 48 SER N N 292 123.481 116.047 7.434 1
1 569 . 15 1 1 A 49 49 ASP H H 293 9.050 8.464 0.586 1
1 570 . 15 1 1 A 49 49 ASP HA H 293 4.482 5.046 -0.564 1
1 573 . 15 1 1 A 49 49 ASP C C 293 176.099 175.829 0.270 1
1 574 . 15 1 1 A 49 49 ASP CA C 293 53.668 52.473 1.195 1
1 575 . 15 1 1 A 49 49 ASP CB C 293 40.100 44.391 -4.291 1
1 576 . 15 1 1 A 49 49 ASP N N 293 131.157 120.184 10.973 1
1 577 . 15 1 1 A 50 50 ASP H H 294 8.324 8.840 -0.516 1
1 578 . 15 1 1 A 50 50 ASP HA H 294 4.167 4.248 -0.081 1
1 581 . 15 1 1 A 50 50 ASP C C 294 176.520 177.630 -1.110 1
1 582 . 15 1 1 A 50 50 ASP CA C 294 57.367 57.067 0.300 1
1 583 . 15 1 1 A 50 50 ASP CB C 294 40.226 40.316 -0.090 1
1 584 . 15 1 1 A 50 50 ASP N N 294 122.206 122.607 -0.401 1
1 585 . 15 1 1 A 51 51 LEU H H 295 7.749 7.632 0.117 1
1 586 . 15 1 1 A 51 51 LEU HA H 295 4.281 4.110 0.171 1
1 596 . 15 1 1 A 51 51 LEU C C 295 175.716 176.529 -0.813 1
1 597 . 15 1 1 A 51 51 LEU CA C 295 54.407 55.773 -1.366 1
1 598 . 15 1 1 A 51 51 LEU CB C 295 43.849 42.436 1.413 1
1 602 . 15 1 1 A 51 51 LEU N N 295 121.836 117.706 4.130 1
1 603 . 15 1 1 A 52 52 HIS H H 296 7.548 7.495 0.053 1
1 604 . 15 1 1 A 52 52 HIS HA H 296 5.091 4.845 0.246 1
1 609 . 15 1 1 A 52 52 HIS C C 296 172.683 173.862 -1.179 1
1 610 . 15 1 1 A 52 52 HIS CA C 296 54.900 53.795 1.105 1
1 611 . 15 1 1 A 52 52 HIS CB C 296 28.894 29.269 -0.375 1
1 614 . 15 1 1 A 52 52 HIS N N 296 126.326 115.858 10.468 1
1 615 . 15 1 1 A 53 53 LYS H H 297 8.515 8.553 -0.038 1
1 616 . 15 1 1 A 53 53 LYS HA H 297 4.608 4.194 0.414 1
1 625 . 15 1 1 A 53 53 LYS C C 297 174.797 175.776 -0.979 1
1 626 . 15 1 1 A 53 53 LYS CA C 297 54.303 56.746 -2.443 1
1 627 . 15 1 1 A 53 53 LYS CB C 297 35.705 33.167 2.538 1
1 631 . 15 1 1 A 53 53 LYS N N 297 127.067 122.617 4.450 1
1 632 . 15 1 1 A 54 54 MET H H 298 8.379 8.842 -0.463 1
1 633 . 15 1 1 A 54 54 MET HA H 298 5.091 5.232 -0.141 1
1 641 . 15 1 1 A 54 54 MET CA C 298 55.427 54.345 1.082 1
1 642 . 15 1 1 A 54 54 MET CB C 298 34.100 35.067 -0.967 1
1 645 . 15 1 1 A 54 54 MET N N 298 128.992 120.803 8.189 1
1 646 . 15 1 1 A 55 55 ILE H H 299 8.279 8.580 -0.301 1
1 647 . 15 1 1 A 55 55 ILE HA H 299 4.602 5.123 -0.521 1
1 657 . 15 1 1 A 55 55 ILE CA C 299 59.130 58.796 0.334 1
1 658 . 15 1 1 A 55 55 ILE CB C 299 42.747 42.468 0.279 1
1 662 . 15 1 1 A 56 56 VAL H H 300 9.227 8.781 0.446 1
1 663 . 15 1 1 A 56 56 VAL HA H 300 4.912 5.077 -0.165 1
1 671 . 15 1 1 A 56 56 VAL CA C 300 59.226 59.313 -0.087 1
1 672 . 15 1 1 A 56 56 VAL CB C 300 36.406 35.336 1.070 1
1 675 . 15 1 1 A 57 57 SER H H 301 8.794 8.956 -0.162 1
1 676 . 15 1 1 A 57 57 SER HA H 301 4.575 4.590 -0.015 1
1 679 . 15 1 1 A 57 57 SER CA C 301 56.558 57.910 -1.352 1
1 680 . 15 1 1 A 57 57 SER CB C 301 65.617 63.817 1.800 1
1 681 . 15 1 1 A 57 57 SER N N 301 128.893 120.185 8.708 1
1 682 . 15 1 1 A 58 58 GLU HA H 302 4.013 4.083 -0.070 1
1 687 . 15 1 1 A 58 58 GLU CA C 302 58.165 58.957 -0.792 1
1 688 . 15 1 1 A 58 58 GLU CB C 302 29.508 29.126 0.382 1
1 690 . 15 1 1 A 59 59 LYS HA H 303 4.114 4.311 -0.197 1
1 699 . 15 1 1 A 59 59 LYS C C 303 176.755 176.862 -0.107 1
1 700 . 15 1 1 A 59 59 LYS CA C 303 55.913 55.799 0.114 1
1 701 . 15 1 1 A 59 59 LYS CB C 303 31.679 32.819 -1.140 1
1 705 . 15 1 1 A 60 60 GLY H H 304 7.813 8.094 -0.281 1
1 706 . 15 1 1 A 60 60 GLY HA2 H 304 4.037 3.994 0.043 1
1 707 . 15 1 1 A 60 60 GLY HA3 H 304 3.411 4.022 -0.611 1
1 708 . 15 1 1 A 60 60 GLY C C 304 173.480 174.103 -0.623 1
1 709 . 15 1 1 A 60 60 GLY CA C 304 45.955 46.557 -0.602 1
1 710 . 15 1 1 A 60 60 GLY N N 304 113.597 108.203 5.394 1
1 711 . 15 1 1 A 61 61 LEU H H 305 7.253 7.837 -0.584 1
1 712 . 15 1 1 A 61 61 LEU HA H 305 4.396 5.060 -0.664 1
1 722 . 15 1 1 A 61 61 LEU CA C 305 54.825 54.075 0.750 1
1 723 . 15 1 1 A 61 61 LEU CB C 305 43.099 44.768 -1.669 1
1 727 . 15 1 1 A 61 61 LEU N N 305 128.081 120.797 7.284 1
1 728 . 15 1 1 A 62 62 HIS H H 306 8.294 8.947 -0.653 1
1 733 . 15 1 1 A 62 62 HIS N N 306 130.344 126.459 3.885 1
1 734 . 15 1 1 A 63 63 SER HA H 307 5.980 5.257 0.723 1
1 737 . 15 1 1 A 63 63 SER CA C 307 57.517 57.574 -0.057 1
1 738 . 15 1 1 A 63 63 SER CB C 307 66.760 64.751 2.009 1
1 739 . 15 1 1 A 64 64 LEU H H 308 8.827 8.757 0.070 1
1 740 . 15 1 1 A 64 64 LEU HA H 308 4.657 4.572 0.085 1
1 750 . 15 1 1 A 64 64 LEU C C 308 174.337 174.757 -0.420 1
1 751 . 15 1 1 A 64 64 LEU CA C 308 54.386 53.792 0.594 1
1 752 . 15 1 1 A 64 64 LEU CB C 308 42.678 44.572 -1.894 1
1 756 . 15 1 1 A 65 65 ILE H H 309 9.009 8.853 0.156 1
1 757 . 15 1 1 A 65 65 ILE HA H 309 3.880 4.536 -0.656 1
1 767 . 15 1 1 A 65 65 ILE C C 309 173.963 174.895 -0.932 1
1 768 . 15 1 1 A 65 65 ILE CA C 309 60.296 60.156 0.140 1
1 769 . 15 1 1 A 65 65 ILE CB C 309 40.727 39.973 0.754 1
1 773 . 15 1 1 A 65 65 ILE N N 309 133.046 127.871 5.175 1
1 774 . 15 1 1 A 66 66 PHE H H 310 8.508 8.777 -0.269 1
1 775 . 15 1 1 A 66 66 PHE HA H 310 4.367 4.884 -0.517 1
1 783 . 15 1 1 A 66 66 PHE C C 310 174.555 175.667 -1.112 1
1 784 . 15 1 1 A 66 66 PHE CA C 310 54.878 55.905 -1.027 1
1 785 . 15 1 1 A 66 66 PHE CB C 310 38.819 40.092 -1.273 1
1 789 . 15 1 1 A 66 66 PHE N N 310 132.294 124.612 7.682 1
1 790 . 15 1 1 A 67 67 GLU H H 311 7.879 8.806 -0.927 1
1 791 . 15 1 1 A 67 67 GLU HA H 311 4.025 4.446 -0.421 1
1 796 . 15 1 1 A 67 67 GLU C C 311 177.819 177.162 0.657 1
1 797 . 15 1 1 A 67 67 GLU CA C 311 59.266 58.994 0.272 1
1 798 . 15 1 1 A 67 67 GLU CB C 311 30.421 30.550 -0.129 1
1 800 . 15 1 1 A 67 67 GLU N N 311 127.092 124.083 3.009 1
1 801 . 15 1 1 A 68 68 VAL H H 312 7.428 7.554 -0.126 1
1 802 . 15 1 1 A 68 68 VAL HA H 312 3.402 4.491 -1.089 1
1 810 . 15 1 1 A 68 68 VAL C C 312 173.921 174.105 -0.184 1
1 811 . 15 1 1 A 68 68 VAL CA C 312 61.444 61.010 0.434 1
1 812 . 15 1 1 A 68 68 VAL CB C 312 34.790 32.882 1.908 1
1 815 . 15 1 1 A 68 68 VAL N N 312 120.315 116.666 3.649 1
1 816 . 15 1 1 A 69 69 VAL H H 313 8.233 8.698 -0.465 1
1 817 . 15 1 1 A 69 69 VAL HA H 313 3.829 4.276 -0.447 1
1 825 . 15 1 1 A 69 69 VAL C C 313 175.123 174.819 0.304 1
1 826 . 15 1 1 A 69 69 VAL CA C 313 63.200 62.665 0.535 1
1 827 . 15 1 1 A 69 69 VAL CB C 313 32.836 32.543 0.293 1
1 830 . 15 1 1 A 69 69 VAL N N 313 132.928 128.863 4.065 1
1 831 . 15 1 1 A 70 70 ARG H H 314 9.259 9.253 0.006 1
1 832 . 15 1 1 A 70 70 ARG HA H 314 4.776 4.626 0.150 1
1 839 . 15 1 1 A 70 70 ARG C C 314 177.491 177.308 0.183 1
1 840 . 15 1 1 A 70 70 ARG CA C 314 53.728 54.475 -0.747 1
1 841 . 15 1 1 A 70 70 ARG CB C 314 34.282 32.528 1.754 1
1 844 . 15 1 1 A 70 70 ARG N N 314 133.209 128.187 5.022 1
1 845 . 15 1 1 A 71 71 ALA H H 315 9.059 8.960 0.099 1
1 846 . 15 1 1 A 71 71 ALA HA H 315 3.676 4.018 -0.342 1
1 850 . 15 1 1 A 71 71 ALA C C 315 180.122 179.643 0.479 1
1 851 . 15 1 1 A 71 71 ALA CA C 315 56.356 55.157 1.199 1
1 852 . 15 1 1 A 71 71 ALA CB C 315 17.923 18.445 -0.522 1
1 853 . 15 1 1 A 71 71 ALA N N 315 131.839 124.568 7.271 1
1 854 . 15 1 1 A 72 72 SER H H 316 7.735 7.974 -0.239 1
1 855 . 15 1 1 A 72 72 SER HA H 316 4.046 4.230 -0.184 1
1 858 . 15 1 1 A 72 72 SER C C 316 175.495 174.629 0.866 1
1 859 . 15 1 1 A 72 72 SER CA C 316 60.037 61.282 -1.245 1
1 860 . 15 1 1 A 72 72 SER CB C 316 62.381 63.162 -0.781 1
1 861 . 15 1 1 A 72 72 SER N N 316 115.841 113.532 2.309 1
1 862 . 15 1 1 A 73 73 ASP H H 317 8.175 7.886 0.289 1
1 863 . 15 1 1 A 73 73 ASP HA H 317 4.644 4.723 -0.079 1
1 866 . 15 1 1 A 73 73 ASP C C 317 176.176 176.374 -0.198 1
1 867 . 15 1 1 A 73 73 ASP CA C 317 55.305 55.013 0.292 1
1 868 . 15 1 1 A 73 73 ASP CB C 317 42.572 41.425 1.147 1
1 869 . 15 1 1 A 73 73 ASP N N 317 126.327 119.267 7.060 1
1 870 . 15 1 1 A 74 74 ALA H H 318 7.339 6.902 0.437 1
1 871 . 15 1 1 A 74 74 ALA HA H 318 4.013 4.271 -0.258 1
1 875 . 15 1 1 A 74 74 ALA C C 318 176.813 177.311 -0.498 1
1 876 . 15 1 1 A 74 74 ALA CA C 318 53.570 53.114 0.456 1
1 877 . 15 1 1 A 74 74 ALA CB C 318 20.548 20.229 0.319 1
1 878 . 15 1 1 A 74 74 ALA N N 318 127.859 121.718 6.141 1
1 879 . 15 1 1 A 75 75 GLY H H 319 8.797 8.836 -0.039 1
1 880 . 15 1 1 A 75 75 GLY HA2 H 319 3.599 4.103 -0.504 1
1 881 . 15 1 1 A 75 75 GLY HA3 H 319 4.239 4.159 0.080 1
1 882 . 15 1 1 A 75 75 GLY C C 319 170.102 171.974 -1.872 1
1 883 . 15 1 1 A 75 75 GLY CA C 319 45.105 44.550 0.555 1
1 884 . 15 1 1 A 75 75 GLY N N 319 114.261 107.380 6.881 1
1 885 . 15 1 1 A 76 76 ALA H H 320 7.621 8.138 -0.517 1
1 886 . 15 1 1 A 76 76 ALA HA H 320 4.521 4.688 -0.167 1
1 890 . 15 1 1 A 76 76 ALA C C 320 176.291 176.472 -0.181 1
1 891 . 15 1 1 A 76 76 ALA CA C 320 51.158 51.621 -0.463 1
1 892 . 15 1 1 A 76 76 ALA CB C 320 19.242 19.346 -0.104 1
1 893 . 15 1 1 A 76 76 ALA N N 320 129.042 122.982 6.060 1
1 894 . 15 1 1 A 77 77 TYR H H 321 9.406 8.879 0.527 1
1 895 . 15 1 1 A 77 77 TYR HA H 321 5.237 5.228 0.009 1
1 903 . 15 1 1 A 77 77 TYR C C 321 175.676 176.076 -0.400 1
1 904 . 15 1 1 A 77 77 TYR CA C 321 57.779 58.055 -0.276 1
1 905 . 15 1 1 A 77 77 TYR CB C 321 40.623 39.964 0.659 1
1 908 . 15 1 1 A 77 77 TYR N N 321 132.635 124.325 8.310 1
1 909 . 15 1 1 A 78 78 ALA H H 322 9.084 9.030 0.054 1
1 910 . 15 1 1 A 78 78 ALA HA H 322 5.031 5.375 -0.344 1
1 914 . 15 1 1 A 78 78 ALA CA C 322 50.120 51.331 -1.211 1
1 915 . 15 1 1 A 78 78 ALA CB C 322 21.653 24.185 -2.532 1
1 916 . 15 1 1 A 78 78 ALA N N 322 130.291 122.330 7.961 1
1 917 . 15 1 1 A 79 79 CYS H H 323 7.932 8.864 -0.932 1
1 918 . 15 1 1 A 79 79 CYS HA H 323 4.037 4.943 -0.906 1
1 919 . 15 1 1 A 79 79 CYS C C 323 173.727 172.332 1.395 1
1 920 . 15 1 1 A 79 79 CYS CA C 323 56.345 57.202 -0.857 1
1 921 . 15 1 1 A 80 80 VAL H H 324 8.671 8.606 0.065 1
1 922 . 15 1 1 A 80 80 VAL HA H 324 4.596 4.829 -0.233 1
1 930 . 15 1 1 A 80 80 VAL C C 324 174.904 173.183 1.721 1
1 931 . 15 1 1 A 80 80 VAL CA C 324 60.907 59.098 1.809 1
1 932 . 15 1 1 A 80 80 VAL CB C 324 34.334 35.259 -0.925 1
1 934 . 15 1 1 A 80 80 VAL N N 324 135.079 121.946 13.133 1
1 935 . 15 1 1 A 81 81 ALA H H 325 9.107 8.866 0.241 1
1 936 . 15 1 1 A 81 81 ALA HA H 325 5.220 5.442 -0.222 1
1 940 . 15 1 1 A 81 81 ALA C C 325 175.446 175.908 -0.462 1
1 941 . 15 1 1 A 81 81 ALA CA C 325 49.197 50.469 -1.272 1
1 942 . 15 1 1 A 81 81 ALA CB C 325 22.479 21.818 0.661 1
1 943 . 15 1 1 A 81 81 ALA N N 325 136.369 129.647 6.722 1
1 944 . 15 1 1 A 82 82 LYS H H 326 8.734 8.859 -0.125 1
1 945 . 15 1 1 A 82 82 LYS HA H 326 5.021 5.182 -0.161 1
1 954 . 15 1 1 A 82 82 LYS C C 326 175.054 175.194 -0.140 1
1 955 . 15 1 1 A 82 82 LYS CA C 326 55.451 54.689 0.762 1
1 956 . 15 1 1 A 82 82 LYS CB C 326 37.852 35.960 1.892 1
1 960 . 15 1 1 A 82 82 LYS N N 326 128.038 122.690 5.348 1
1 961 . 15 1 1 A 83 83 ASN H H 327 8.949 8.790 0.159 1
1 962 . 15 1 1 A 83 83 ASN HA H 327 4.624 5.148 -0.524 1
1 967 . 15 1 1 A 83 83 ASN C C 327 176.409 175.346 1.063 1
1 968 . 15 1 1 A 83 83 ASN CA C 327 51.838 51.413 0.425 1
1 969 . 15 1 1 A 83 83 ASN CB C 327 40.927 39.853 1.074 1
1 970 . 15 1 1 A 83 83 ASN N N 327 128.769 121.542 7.227 1
1 972 . 15 1 1 A 84 84 ARG H H 328 8.203 9.141 -0.938 1
1 973 . 15 1 1 A 84 84 ARG HA H 328 3.917 4.084 -0.167 1
1 981 . 15 1 1 A 84 84 ARG C C 328 175.820 176.102 -0.282 1
1 982 . 15 1 1 A 84 84 ARG CA C 328 58.250 58.108 0.142 1
1 983 . 15 1 1 A 84 84 ARG CB C 328 29.985 29.590 0.395 1
1 986 . 15 1 1 A 84 84 ARG N N 328 121.021 117.720 3.301 1
1 988 . 15 1 1 A 85 85 ALA H H 329 7.599 8.038 -0.439 1
1 989 . 15 1 1 A 85 85 ALA HA H 329 4.279 4.483 -0.204 1
1 993 . 15 1 1 A 85 85 ALA C C 329 177.261 177.254 0.007 1
1 994 . 15 1 1 A 85 85 ALA CA C 329 51.905 51.938 -0.033 1
1 995 . 15 1 1 A 85 85 ALA CB C 329 19.637 20.173 -0.536 1
1 996 . 15 1 1 A 85 85 ALA N N 329 125.074 121.528 3.546 1
1 997 . 15 1 1 A 86 86 GLY H H 330 7.624 7.134 0.490 1
1 998 . 15 1 1 A 86 86 GLY HA2 H 330 3.806 4.061 -0.255 1
1 999 . 15 1 1 A 86 86 GLY HA3 H 330 4.164 4.064 0.100 1
1 1000 . 15 1 1 A 86 86 GLY C C 330 169.646 170.821 -1.175 1
1 1001 . 15 1 1 A 86 86 GLY CA C 330 46.012 45.786 0.226 1
1 1002 . 15 1 1 A 86 86 GLY N N 330 112.891 103.663 9.228 1
1 1003 . 15 1 1 A 87 87 GLU H H 331 8.213 8.448 -0.235 1
1 1004 . 15 1 1 A 87 87 GLU HA H 331 5.274 5.318 -0.044 1
1 1009 . 15 1 1 A 87 87 GLU C C 331 174.418 174.596 -0.178 1
1 1010 . 15 1 1 A 87 87 GLU CA C 331 54.349 54.981 -0.632 1
1 1011 . 15 1 1 A 87 87 GLU CB C 331 34.615 33.541 1.074 1
1 1013 . 15 1 1 A 87 87 GLU N N 331 123.208 120.233 2.975 1
1 1014 . 15 1 1 A 88 88 ALA H H 332 8.897 8.816 0.081 1
1 1015 . 15 1 1 A 88 88 ALA HA H 332 4.569 4.850 -0.281 1
1 1019 . 15 1 1 A 88 88 ALA C C 332 175.121 174.730 0.391 1
1 1020 . 15 1 1 A 88 88 ALA CA C 332 51.592 50.530 1.062 1
1 1021 . 15 1 1 A 88 88 ALA CB C 332 23.324 23.512 -0.188 1
1 1022 . 15 1 1 A 88 88 ALA N N 332 131.757 125.794 5.963 1
1 1023 . 15 1 1 A 89 89 THR H H 333 8.521 7.977 0.544 1
1 1024 . 15 1 1 A 89 89 THR HA H 333 5.661 4.662 0.999 1
1 1029 . 15 1 1 A 89 89 THR C C 333 173.827 173.077 0.750 1
1 1030 . 15 1 1 A 89 89 THR CA C 333 60.601 60.639 -0.038 1
1 1031 . 15 1 1 A 89 89 THR CB C 333 72.140 71.992 0.148 1
1 1033 . 15 1 1 A 89 89 THR N N 333 121.100 114.111 6.989 1
1 1034 . 15 1 1 A 90 90 PHE H H 334 8.603 8.853 -0.250 1
1 1035 . 15 1 1 A 90 90 PHE HA H 334 4.624 5.378 -0.754 1
1 1043 . 15 1 1 A 90 90 PHE CA C 334 56.618 56.045 0.573 1
1 1044 . 15 1 1 A 90 90 PHE CB C 334 42.489 43.957 -1.468 1
1 1048 . 15 1 1 A 91 91 THR H H 335 8.174 9.026 -0.852 1
1 1049 . 15 1 1 A 91 91 THR HA H 335 5.445 5.379 0.066 1
1 1054 . 15 1 1 A 91 91 THR CA C 335 60.110 61.590 -1.480 1
1 1055 . 15 1 1 A 91 91 THR CB C 335 71.671 72.257 -0.586 1
1 1057 . 15 1 1 A 92 92 VAL H H 336 9.158 9.067 0.091 1
1 1058 . 15 1 1 A 92 92 VAL HA H 336 4.432 4.987 -0.555 1
1 1066 . 15 1 1 A 92 92 VAL C C 336 171.594 173.170 -1.576 1
1 1067 . 15 1 1 A 92 92 VAL CA C 336 60.914 60.011 0.903 1
1 1068 . 15 1 1 A 92 92 VAL CB C 336 35.760 35.925 -0.165 1
1 1071 . 15 1 1 A 92 92 VAL N N 336 130.220 122.045 8.175 1
1 1072 . 15 1 1 A 93 93 GLN H H 337 8.302 8.811 -0.509 1
1 1073 . 15 1 1 A 93 93 GLN HA H 337 4.756 5.286 -0.530 1
1 1080 . 15 1 1 A 93 93 GLN C C 337 174.009 173.615 0.394 1
1 1081 . 15 1 1 A 93 93 GLN CA C 337 54.672 54.257 0.415 1
1 1082 . 15 1 1 A 93 93 GLN CB C 337 30.071 32.337 -2.266 1
1 1084 . 15 1 1 A 93 93 GLN N N 337 133.412 126.449 6.963 1
1 1086 . 15 1 1 A 94 94 LEU H H 338 8.812 9.328 -0.516 1
1 1087 . 15 1 1 A 94 94 LEU HA H 338 4.836 4.978 -0.142 1
1 1097 . 15 1 1 A 94 94 LEU C C 338 175.099 174.987 0.112 1
1 1098 . 15 1 1 A 94 94 LEU CA C 338 53.725 53.678 0.047 1
1 1099 . 15 1 1 A 94 94 LEU CB C 338 44.955 45.046 -0.091 1
1 1103 . 15 1 1 A 94 94 LEU N N 338 133.816 128.467 5.349 1
1 1104 . 15 1 1 A 95 95 ASP H H 339 8.747 8.990 -0.243 1
1 1105 . 15 1 1 A 95 95 ASP HA H 339 4.871 4.920 -0.049 1
1 1108 . 15 1 1 A 95 95 ASP C C 339 174.295 175.476 -1.181 1
1 1109 . 15 1 1 A 95 95 ASP CA C 339 53.311 54.469 -1.158 1
1 1110 . 15 1 1 A 95 95 ASP CB C 339 42.895 41.663 1.232 1
1 1111 . 15 1 1 A 95 95 ASP N N 339 134.770 127.354 7.416 1
1 1112 . 15 1 1 A 96 96 VAL H H 340 7.745 8.629 -0.884 1
1 1113 . 15 1 1 A 96 96 VAL HA H 340 4.653 4.556 0.097 1
1 1121 . 15 1 1 A 96 96 VAL C C 340 175.494 175.193 0.301 1
1 1122 . 15 1 1 A 96 96 VAL CA C 340 60.722 61.297 -0.575 1
1 1123 . 15 1 1 A 96 96 VAL CB C 340 33.852 33.763 0.089 1
1 1126 . 15 1 1 A 96 96 VAL N N 340 128.328 122.824 5.504 1
1 1127 . 15 1 1 A 97 97 LEU H H 341 8.524 9.083 -0.559 1
1 1128 . 15 1 1 A 97 97 LEU HA H 341 4.243 4.532 -0.289 1
1 1138 . 15 1 1 A 97 97 LEU C C 341 176.052 176.803 -0.751 1
1 1139 . 15 1 1 A 97 97 LEU CA C 341 54.086 54.549 -0.463 1
1 1140 . 15 1 1 A 97 97 LEU CB C 341 41.446 41.137 0.309 1
1 1144 . 15 1 1 A 97 97 LEU N N 341 136.554 129.313 7.241 1
1 1145 . 15 1 1 A 98 98 ALA H H 342 8.344 8.591 -0.247 1
1 1146 . 15 1 1 A 98 98 ALA HA H 342 4.227 4.257 -0.030 1
1 1150 . 15 1 1 A 98 98 ALA C C 342 177.569 178.356 -0.787 1
1 1151 . 15 1 1 A 98 98 ALA CA C 342 51.964 53.034 -1.070 1
1 1152 . 15 1 1 A 98 98 ALA CB C 342 19.976 19.182 0.794 1
1 1153 . 15 1 1 A 98 98 ALA N N 342 134.558 128.528 6.030 1
1 1154 . 15 1 1 A 99 99 LYS H H 343 8.552 8.728 -0.176 1
1 1155 . 15 1 1 A 99 99 LYS HA H 343 4.119 4.066 0.053 1
1 1164 . 15 1 1 A 99 99 LYS C C 343 175.859 178.071 -2.212 1
1 1165 . 15 1 1 A 99 99 LYS CA C 343 56.453 58.614 -2.161 1
1 1166 . 15 1 1 A 99 99 LYS CB C 343 33.257 32.624 0.633 1
1 1170 . 15 1 1 A 99 99 LYS N N 343 128.906 124.176 4.730 1
1 4 . 16 1 1 A 2 2 ALA HA H -3 4.167 4.381 -0.214 1
1 8 . 16 1 1 A 2 2 ALA C C -3 177.254 177.062 0.192 1
1 9 . 16 1 1 A 2 2 ALA CA C -3 52.427 52.237 0.190 1
1 10 . 16 1 1 A 2 2 ALA CB C -3 19.740 19.774 -0.034 1
1 11 . 16 1 1 A 3 3 MET H H -2 8.135 8.744 -0.609 1
1 12 . 16 1 1 A 3 3 MET HA H -2 4.351 4.957 -0.606 1
1 20 . 16 1 1 A 3 3 MET C C -2 176.007 174.579 1.428 1
1 21 . 16 1 1 A 3 3 MET CA C -2 55.444 53.711 1.733 1
1 22 . 16 1 1 A 3 3 MET CB C -2 34.277 35.897 -1.620 1
1 25 . 16 1 1 A 3 3 MET N N -2 125.628 115.634 9.994 1
1 43 . 16 1 1 A 6 6 PRO HA H 250 4.591 4.805 -0.214 1
1 50 . 16 1 1 A 6 6 PRO C C 250 175.444 175.494 -0.050 1
1 51 . 16 1 1 A 6 6 PRO CA C 250 61.829 62.597 -0.768 1
1 52 . 16 1 1 A 6 6 PRO CB C 250 32.464 32.935 -0.471 1
1 55 . 16 1 1 A 7 7 ARG H H 251 7.588 8.632 -1.044 1
1 56 . 16 1 1 A 7 7 ARG HA H 251 4.078 4.876 -0.798 1
1 64 . 16 1 1 A 7 7 ARG C C 251 175.065 174.976 0.089 1
1 65 . 16 1 1 A 7 7 ARG CA C 251 54.552 54.634 -0.082 1
1 66 . 16 1 1 A 7 7 ARG CB C 251 33.587 34.028 -0.441 1
1 69 . 16 1 1 A 7 7 ARG N N 251 124.900 121.726 3.174 1
1 71 . 16 1 1 A 8 8 PHE H H 252 8.893 9.083 -0.190 1
1 72 . 16 1 1 A 8 8 PHE HA H 252 4.708 5.209 -0.501 1
1 80 . 16 1 1 A 8 8 PHE CA C 252 59.744 56.871 2.873 1
1 81 . 16 1 1 A 8 8 PHE CB C 252 39.263 38.079 1.184 1
1 85 . 16 1 1 A 8 8 PHE N N 252 128.828 120.663 8.165 1
1 86 . 16 1 1 A 9 9 ILE H H 253 8.223 8.842 -0.619 1
1 87 . 16 1 1 A 9 9 ILE HA H 253 4.090 4.137 -0.047 1
1 97 . 16 1 1 A 9 9 ILE C C 253 175.698 176.115 -0.417 1
1 98 . 16 1 1 A 9 9 ILE CA C 253 61.230 63.469 -2.239 1
1 99 . 16 1 1 A 9 9 ILE CB C 253 39.165 38.330 0.835 1
1 103 . 16 1 1 A 9 9 ILE N N 253 128.239 127.047 1.192 1
1 104 . 16 1 1 A 10 10 GLN H H 254 7.437 7.222 0.215 1
1 105 . 16 1 1 A 10 10 GLN HA H 254 4.450 4.715 -0.265 1
1 112 . 16 1 1 A 10 10 GLN C C 254 174.149 173.998 0.151 1
1 113 . 16 1 1 A 10 10 GLN CA C 254 56.197 55.461 0.736 1
1 114 . 16 1 1 A 10 10 GLN CB C 254 32.367 32.374 -0.007 1
1 116 . 16 1 1 A 10 10 GLN N N 254 127.323 116.266 11.057 1
1 118 . 16 1 1 A 11 11 VAL H H 255 8.283 8.743 -0.460 1
1 119 . 16 1 1 A 11 11 VAL HA H 255 4.185 4.505 -0.320 1
1 127 . 16 1 1 A 11 11 VAL CA C 255 57.931 57.702 0.229 1
1 128 . 16 1 1 A 11 11 VAL CB C 255 33.230 34.108 -0.878 1
1 131 . 16 1 1 A 11 11 VAL N N 255 126.734 118.623 8.111 1
1 132 . 16 1 1 A 12 12 PRO HA H 256 4.538 4.400 0.138 1
1 139 . 16 1 1 A 12 12 PRO CA C 256 62.209 62.209 0.000 1
1 140 . 16 1 1 A 12 12 PRO CB C 256 31.724 32.060 -0.336 1
1 143 . 16 1 1 A 13 13 GLU H H 257 7.870 8.320 -0.450 1
1 144 . 16 1 1 A 13 13 GLU HA H 257 4.257 4.351 -0.094 1
1 149 . 16 1 1 A 13 13 GLU CA C 257 54.764 55.796 -1.032 1
1 150 . 16 1 1 A 13 13 GLU CB C 257 31.690 30.459 1.231 1
1 152 . 16 1 1 A 13 13 GLU N N 257 124.369 119.308 5.061 1
1 153 . 16 1 1 A 14 14 ASN H H 258 8.133 8.624 -0.491 1
1 154 . 16 1 1 A 14 14 ASN HA H 258 4.639 4.796 -0.157 1
1 159 . 16 1 1 A 14 14 ASN CA C 258 54.285 53.601 0.684 1
1 160 . 16 1 1 A 14 14 ASN CB C 258 38.023 38.766 -0.743 1
1 161 . 16 1 1 A 14 14 ASN N N 258 123.151 118.140 5.011 1
1 163 . 16 1 1 A 15 15 MET H H 259 8.295 8.954 -0.659 1
1 164 . 16 1 1 A 15 15 MET HA H 259 4.695 5.319 -0.624 1
1 172 . 16 1 1 A 15 15 MET C C 259 174.675 174.251 0.424 1
1 173 . 16 1 1 A 15 15 MET CA C 259 55.153 53.811 1.342 1
1 174 . 16 1 1 A 15 15 MET CB C 259 38.064 37.203 0.861 1
1 177 . 16 1 1 A 15 15 MET N N 259 125.442 120.466 4.976 1
1 178 . 16 1 1 A 16 16 SER H H 260 8.332 8.894 -0.562 1
1 179 . 16 1 1 A 16 16 SER HA H 260 5.261 5.506 -0.245 1
1 182 . 16 1 1 A 16 16 SER C C 260 172.889 173.247 -0.358 1
1 183 . 16 1 1 A 16 16 SER CA C 260 56.748 57.092 -0.344 1
1 184 . 16 1 1 A 16 16 SER CB C 260 64.170 65.059 -0.889 1
1 185 . 16 1 1 A 16 16 SER N N 260 125.417 113.999 11.418 1
1 186 . 16 1 1 A 17 17 ILE H H 261 8.394 8.746 -0.352 1
1 187 . 16 1 1 A 17 17 ILE HA H 261 4.366 4.640 -0.274 1
1 197 . 16 1 1 A 17 17 ILE C C 261 173.465 175.389 -1.924 1
1 198 . 16 1 1 A 17 17 ILE CA C 261 57.461 60.129 -2.668 1
1 199 . 16 1 1 A 17 17 ILE CB C 261 41.882 41.370 0.512 1
1 203 . 16 1 1 A 17 17 ILE N N 261 131.680 126.106 5.574 1
1 204 . 16 1 1 A 18 18 ASP H H 262 8.043 8.803 -0.760 1
1 205 . 16 1 1 A 18 18 ASP HA H 262 4.498 4.557 -0.059 1
1 208 . 16 1 1 A 18 18 ASP C C 262 174.970 176.001 -1.031 1
1 209 . 16 1 1 A 18 18 ASP CA C 262 54.962 54.752 0.210 1
1 210 . 16 1 1 A 18 18 ASP CB C 262 41.518 40.824 0.694 1
1 211 . 16 1 1 A 18 18 ASP N N 262 132.455 127.695 4.760 1
1 212 . 16 1 1 A 19 19 GLU H H 263 8.058 8.768 -0.710 1
1 213 . 16 1 1 A 19 19 GLU HA H 263 3.322 3.908 -0.586 1
1 218 . 16 1 1 A 19 19 GLU C C 263 176.656 177.355 -0.699 1
1 219 . 16 1 1 A 19 19 GLU CA C 263 58.351 58.300 0.051 1
1 220 . 16 1 1 A 19 19 GLU CB C 263 29.716 29.330 0.386 1
1 222 . 16 1 1 A 19 19 GLU N N 263 126.424 124.533 1.891 1
1 223 . 16 1 1 A 20 20 GLY H H 264 9.131 9.047 0.084 1
1 224 . 16 1 1 A 20 20 GLY HA2 H 264 3.366 3.978 -0.612 1
1 225 . 16 1 1 A 20 20 GLY HA3 H 264 4.196 3.979 0.217 1
1 226 . 16 1 1 A 20 20 GLY C C 264 174.582 174.488 0.094 1
1 227 . 16 1 1 A 20 20 GLY CA C 264 44.837 44.922 -0.085 1
1 228 . 16 1 1 A 20 20 GLY N N 264 119.124 115.029 4.095 1
1 229 . 16 1 1 A 21 21 ARG H H 265 7.192 7.350 -0.158 1
1 230 . 16 1 1 A 21 21 ARG HA H 265 4.377 4.404 -0.027 1
1 238 . 16 1 1 A 21 21 ARG C C 265 174.091 175.799 -1.708 1
1 239 . 16 1 1 A 21 21 ARG CA C 265 55.263 55.911 -0.648 1
1 240 . 16 1 1 A 21 21 ARG CB C 265 31.467 31.709 -0.242 1
1 243 . 16 1 1 A 21 21 ARG N N 265 126.182 120.373 5.809 1
1 245 . 16 1 1 A 22 22 PHE H H 266 7.699 8.795 -1.096 1
1 246 . 16 1 1 A 22 22 PHE HA H 266 4.688 4.956 -0.268 1
1 254 . 16 1 1 A 22 22 PHE C C 266 175.911 174.988 0.923 1
1 255 . 16 1 1 A 22 22 PHE CA C 266 57.132 59.245 -2.113 1
1 256 . 16 1 1 A 22 22 PHE CB C 266 41.270 40.043 1.227 1
1 260 . 16 1 1 A 22 22 PHE N N 266 127.111 122.461 4.650 1
1 261 . 16 1 1 A 23 23 CYS H H 267 8.140 8.419 -0.279 1
1 262 . 16 1 1 A 23 23 CYS HA H 267 4.282 5.108 -0.826 1
1 265 . 16 1 1 A 23 23 CYS C C 267 170.233 172.608 -2.375 1
1 266 . 16 1 1 A 23 23 CYS CA C 267 57.626 57.920 -0.294 1
1 267 . 16 1 1 A 23 23 CYS CB C 267 30.411 32.355 -1.944 1
1 268 . 16 1 1 A 23 23 CYS N N 267 130.194 126.040 4.154 1
1 269 . 16 1 1 A 24 24 ARG H H 268 8.160 8.935 -0.775 1
1 270 . 16 1 1 A 24 24 ARG HA H 268 5.167 5.197 -0.030 1
1 278 . 16 1 1 A 24 24 ARG CA C 268 53.910 53.924 -0.014 1
1 279 . 16 1 1 A 24 24 ARG CB C 268 35.114 34.569 0.545 1
1 283 . 16 1 1 A 25 25 MET H H 269 8.839 8.834 0.005 1
1 284 . 16 1 1 A 25 25 MET HA H 269 4.518 5.312 -0.794 1
1 292 . 16 1 1 A 25 25 MET C C 269 174.090 174.000 0.090 1
1 293 . 16 1 1 A 25 25 MET CA C 269 54.960 53.681 1.279 1
1 294 . 16 1 1 A 25 25 MET CB C 269 35.645 37.583 -1.938 1
1 297 . 16 1 1 A 25 25 MET N N 269 127.757 119.090 8.667 1
1 298 . 16 1 1 A 26 26 ASP H H 270 8.473 9.010 -0.537 1
1 299 . 16 1 1 A 26 26 ASP HA H 270 5.772 5.401 0.371 1
1 302 . 16 1 1 A 26 26 ASP CA C 270 53.157 53.401 -0.244 1
1 303 . 16 1 1 A 26 26 ASP CB C 270 43.595 42.378 1.217 1
1 304 . 16 1 1 A 26 26 ASP N N 270 129.880 120.693 9.187 1
1 305 . 16 1 1 A 27 27 PHE H H 271 9.180 9.255 -0.075 1
1 306 . 16 1 1 A 27 27 PHE HA H 271 5.014 4.980 0.034 1
1 314 . 16 1 1 A 27 27 PHE CA C 271 55.904 56.255 -0.351 1
1 317 . 16 1 1 A 27 27 PHE N N 271 123.116 123.897 -0.781 1
1 318 . 16 1 1 A 28 28 LYS H H 272 9.221 8.705 0.516 1
1 327 . 16 1 1 A 28 28 LYS CA C 272 59.294 56.876 2.418 1
1 328 . 16 1 1 A 28 28 LYS CB C 272 38.090 32.952 5.138 1
1 332 . 16 1 1 A 28 28 LYS N N 272 131.321 124.598 6.723 1
1 333 . 16 1 1 A 29 29 VAL H H 273 8.304 8.635 -0.331 1
1 334 . 16 1 1 A 29 29 VAL HA H 273 4.331 4.814 -0.483 1
1 342 . 16 1 1 A 29 29 VAL C C 273 175.240 173.487 1.753 1
1 343 . 16 1 1 A 29 29 VAL CA C 273 61.020 59.591 1.429 1
1 344 . 16 1 1 A 29 29 VAL CB C 273 33.889 35.767 -1.878 1
1 347 . 16 1 1 A 30 30 SER H H 274 8.545 8.951 -0.406 1
1 348 . 16 1 1 A 30 30 SER HA H 274 4.647 5.021 -0.374 1
1 351 . 16 1 1 A 30 30 SER C C 274 172.993 172.925 0.068 1
1 352 . 16 1 1 A 30 30 SER CA C 274 56.505 56.617 -0.112 1
1 353 . 16 1 1 A 30 30 SER CB C 274 65.805 65.344 0.461 1
1 354 . 16 1 1 A 30 30 SER N N 274 129.796 120.974 8.822 1
1 355 . 16 1 1 A 31 31 GLY H H 275 7.712 8.449 -0.737 1
1 356 . 16 1 1 A 31 31 GLY HA2 H 275 3.220 4.144 -0.924 1
1 357 . 16 1 1 A 31 31 GLY HA3 H 275 3.649 4.151 -0.502 1
1 358 . 16 1 1 A 31 31 GLY C C 275 170.984 171.524 -0.540 1
1 359 . 16 1 1 A 31 31 GLY CA C 275 45.099 44.620 0.479 1
1 360 . 16 1 1 A 31 31 GLY N N 275 115.009 110.913 4.096 1
1 361 . 16 1 1 A 32 32 LEU H H 276 7.668 8.182 -0.514 1
1 362 . 16 1 1 A 32 32 LEU HA H 276 4.301 4.859 -0.558 1
1 372 . 16 1 1 A 32 32 LEU C C 276 173.812 174.774 -0.962 1
1 373 . 16 1 1 A 32 32 LEU CA C 276 52.370 51.600 0.770 1
1 374 . 16 1 1 A 32 32 LEU CB C 276 45.554 45.984 -0.430 1
1 378 . 16 1 1 A 32 32 LEU N N 276 129.727 121.567 8.160 1
1 379 . 16 1 1 A 33 33 PRO HA H 277 4.416 4.647 -0.231 1
1 386 . 16 1 1 A 33 33 PRO CA C 277 62.576 62.373 0.203 1
1 387 . 16 1 1 A 33 33 PRO CB C 277 35.012 32.608 2.404 1
1 390 . 16 1 1 A 34 34 ALA H H 278 8.598 8.322 0.276 1
1 391 . 16 1 1 A 34 34 ALA HA H 278 4.153 4.272 -0.119 1
1 395 . 16 1 1 A 34 34 ALA CA C 278 50.822 50.663 0.159 1
1 396 . 16 1 1 A 34 34 ALA CB C 278 17.462 19.032 -1.570 1
1 397 . 16 1 1 A 34 34 ALA N N 278 131.518 124.432 7.086 1
1 398 . 16 1 1 A 35 35 PRO HA H 279 4.206 4.471 -0.265 1
1 405 . 16 1 1 A 35 35 PRO C C 279 175.701 176.126 -0.425 1
1 406 . 16 1 1 A 35 35 PRO CA C 279 62.628 62.318 0.310 1
1 407 . 16 1 1 A 35 35 PRO CB C 279 33.069 32.125 0.944 1
1 410 . 16 1 1 A 36 36 ASP H H 280 8.621 8.684 -0.063 1
1 411 . 16 1 1 A 36 36 ASP HA H 280 4.659 4.615 0.044 1
1 414 . 16 1 1 A 36 36 ASP C C 280 176.057 175.140 0.917 1
1 415 . 16 1 1 A 36 36 ASP CA C 280 54.307 53.584 0.723 1
1 416 . 16 1 1 A 36 36 ASP CB C 280 42.741 41.723 1.018 1
1 417 . 16 1 1 A 36 36 ASP N N 280 127.555 121.753 5.802 1
1 418 . 16 1 1 A 37 37 VAL H H 281 8.635 8.465 0.170 1
1 419 . 16 1 1 A 37 37 VAL HA H 281 4.938 4.872 0.066 1
1 427 . 16 1 1 A 37 37 VAL CA C 281 61.135 60.187 0.948 1
1 428 . 16 1 1 A 37 37 VAL CB C 281 34.579 34.698 -0.119 1
1 431 . 16 1 1 A 38 38 SER H H 282 8.591 8.711 -0.120 1
1 432 . 16 1 1 A 38 38 SER HA H 282 4.518 5.175 -0.657 1
1 435 . 16 1 1 A 38 38 SER CA C 282 57.540 57.677 -0.137 1
1 436 . 16 1 1 A 38 38 SER CB C 282 66.530 65.264 1.266 1
1 437 . 16 1 1 A 38 38 SER N N 282 128.264 125.057 3.207 1
1 438 . 16 1 1 A 39 39 TRP H H 283 8.426 8.910 -0.484 1
1 439 . 16 1 1 A 39 39 TRP HA H 283 5.297 5.212 0.085 1
1 448 . 16 1 1 A 39 39 TRP CA C 283 56.298 56.859 -0.561 1
1 449 . 16 1 1 A 39 39 TRP CB C 283 33.153 31.216 1.937 1
1 455 . 16 1 1 A 39 39 TRP N N 283 127.698 128.363 -0.665 1
1 456 . 16 1 1 A 40 40 TYR H H 284 9.373 9.302 0.071 1
1 457 . 16 1 1 A 40 40 TYR HA H 284 4.903 5.403 -0.500 1
1 464 . 16 1 1 A 40 40 TYR C C 284 174.148 174.626 -0.478 1
1 465 . 16 1 1 A 40 40 TYR CA C 284 56.849 56.281 0.568 1
1 466 . 16 1 1 A 40 40 TYR CB C 284 42.754 43.291 -0.537 1
1 469 . 16 1 1 A 40 40 TYR N N 284 125.437 119.890 5.547 1
1 470 . 16 1 1 A 41 41 LEU H H 285 8.898 9.160 -0.262 1
1 471 . 16 1 1 A 41 41 LEU HA H 285 4.255 4.612 -0.357 1
1 481 . 16 1 1 A 41 41 LEU C C 285 176.606 175.481 1.125 1
1 482 . 16 1 1 A 41 41 LEU CA C 285 53.659 53.968 -0.309 1
1 483 . 16 1 1 A 41 41 LEU CB C 285 43.740 44.703 -0.963 1
1 487 . 16 1 1 A 41 41 LEU N N 285 129.512 122.598 6.914 1
1 488 . 16 1 1 A 42 42 ASN H H 286 9.454 9.396 0.058 1
1 489 . 16 1 1 A 42 42 ASN HA H 286 4.221 4.422 -0.201 1
1 494 . 16 1 1 A 42 42 ASN C C 286 175.692 175.347 0.345 1
1 495 . 16 1 1 A 42 42 ASN CA C 286 54.239 54.340 -0.101 1
1 496 . 16 1 1 A 42 42 ASN CB C 286 37.331 36.878 0.453 1
1 497 . 16 1 1 A 42 42 ASN N N 286 134.097 126.382 7.715 1
1 499 . 16 1 1 A 43 43 GLY H H 287 8.709 8.370 0.339 1
1 500 . 16 1 1 A 43 43 GLY HA2 H 287 3.356 4.016 -0.660 1
1 501 . 16 1 1 A 43 43 GLY HA3 H 287 3.995 4.026 -0.031 1
1 502 . 16 1 1 A 43 43 GLY C C 287 173.786 174.710 -0.924 1
1 503 . 16 1 1 A 43 43 GLY CA C 287 45.450 45.099 0.351 1
1 504 . 16 1 1 A 43 43 GLY N N 287 108.807 105.162 3.645 1
1 505 . 16 1 1 A 44 44 ARG H H 288 7.902 7.557 0.345 1
1 506 . 16 1 1 A 44 44 ARG HA H 288 4.697 4.679 0.018 1
1 514 . 16 1 1 A 44 44 ARG C C 288 175.799 176.298 -0.499 1
1 515 . 16 1 1 A 44 44 ARG CA C 288 54.658 54.843 -0.185 1
1 516 . 16 1 1 A 44 44 ARG CB C 288 32.436 31.626 0.810 1
1 519 . 16 1 1 A 44 44 ARG N N 288 127.837 120.257 7.580 1
1 521 . 16 1 1 A 45 45 THR H H 289 8.539 8.651 -0.112 1
1 522 . 16 1 1 A 45 45 THR HA H 289 3.763 4.265 -0.502 1
1 527 . 16 1 1 A 45 45 THR C C 289 174.692 174.217 0.475 1
1 528 . 16 1 1 A 45 45 THR CA C 289 63.977 61.709 2.268 1
1 529 . 16 1 1 A 45 45 THR CB C 289 69.706 69.876 -0.170 1
1 531 . 16 1 1 A 45 45 THR N N 289 126.100 113.979 12.121 1
1 532 . 16 1 1 A 46 46 VAL H H 290 8.033 8.384 -0.351 1
1 533 . 16 1 1 A 46 46 VAL HA H 290 3.647 4.649 -1.002 1
1 541 . 16 1 1 A 46 46 VAL C C 290 174.672 174.687 -0.015 1
1 542 . 16 1 1 A 46 46 VAL CA C 290 62.458 61.364 1.094 1
1 543 . 16 1 1 A 46 46 VAL CB C 290 32.500 34.357 -1.857 1
1 546 . 16 1 1 A 46 46 VAL N N 290 134.795 121.111 13.684 1
1 547 . 16 1 1 A 47 47 GLN H H 291 8.124 8.782 -0.658 1
1 548 . 16 1 1 A 47 47 GLN HA H 291 4.281 4.753 -0.472 1
1 555 . 16 1 1 A 47 47 GLN C C 291 175.398 175.882 -0.484 1
1 556 . 16 1 1 A 47 47 GLN CA C 291 54.235 54.162 0.073 1
1 557 . 16 1 1 A 47 47 GLN CB C 291 30.283 31.194 -0.911 1
1 559 . 16 1 1 A 47 47 GLN N N 291 132.792 127.267 5.525 1
1 561 . 16 1 1 A 48 48 SER H H 292 8.280 8.594 -0.314 1
1 562 . 16 1 1 A 48 48 SER HA H 292 4.308 4.531 -0.223 1
1 565 . 16 1 1 A 48 48 SER C C 292 174.304 173.902 0.402 1
1 566 . 16 1 1 A 48 48 SER CA C 292 58.222 58.426 -0.204 1
1 567 . 16 1 1 A 48 48 SER CB C 292 63.719 63.744 -0.025 1
1 568 . 16 1 1 A 48 48 SER N N 292 123.481 118.398 5.083 1
1 569 . 16 1 1 A 49 49 ASP H H 293 9.050 8.585 0.465 1
1 570 . 16 1 1 A 49 49 ASP HA H 293 4.482 4.907 -0.425 1
1 573 . 16 1 1 A 49 49 ASP C C 293 176.099 175.984 0.115 1
1 574 . 16 1 1 A 49 49 ASP CA C 293 53.668 53.206 0.462 1
1 575 . 16 1 1 A 49 49 ASP CB C 293 40.100 42.302 -2.202 1
1 576 . 16 1 1 A 49 49 ASP N N 293 131.157 121.216 9.941 1
1 577 . 16 1 1 A 50 50 ASP H H 294 8.324 8.802 -0.478 1
1 578 . 16 1 1 A 50 50 ASP HA H 294 4.167 4.326 -0.159 1
1 581 . 16 1 1 A 50 50 ASP C C 294 176.520 176.674 -0.154 1
1 582 . 16 1 1 A 50 50 ASP CA C 294 57.367 56.184 1.183 1
1 583 . 16 1 1 A 50 50 ASP CB C 294 40.226 40.587 -0.361 1
1 584 . 16 1 1 A 50 50 ASP N N 294 122.206 118.624 3.582 1
1 585 . 16 1 1 A 51 51 LEU H H 295 7.749 7.727 0.022 1
1 586 . 16 1 1 A 51 51 LEU HA H 295 4.281 4.372 -0.091 1
1 596 . 16 1 1 A 51 51 LEU C C 295 175.716 176.549 -0.833 1
1 597 . 16 1 1 A 51 51 LEU CA C 295 54.407 54.716 -0.309 1
1 598 . 16 1 1 A 51 51 LEU CB C 295 43.849 42.455 1.394 1
1 602 . 16 1 1 A 51 51 LEU N N 295 121.836 116.149 5.687 1
1 603 . 16 1 1 A 52 52 HIS H H 296 7.548 7.555 -0.007 1
1 604 . 16 1 1 A 52 52 HIS HA H 296 5.091 4.799 0.292 1
1 609 . 16 1 1 A 52 52 HIS C C 296 172.683 174.018 -1.335 1
1 610 . 16 1 1 A 52 52 HIS CA C 296 54.900 53.916 0.984 1
1 611 . 16 1 1 A 52 52 HIS CB C 296 28.894 29.085 -0.191 1
1 614 . 16 1 1 A 52 52 HIS N N 296 126.326 116.174 10.152 1
1 615 . 16 1 1 A 53 53 LYS H H 297 8.515 8.425 0.090 1
1 616 . 16 1 1 A 53 53 LYS HA H 297 4.608 4.353 0.255 1
1 625 . 16 1 1 A 53 53 LYS C C 297 174.797 175.488 -0.691 1
1 626 . 16 1 1 A 53 53 LYS CA C 297 54.303 56.362 -2.059 1
1 627 . 16 1 1 A 53 53 LYS CB C 297 35.705 33.333 2.372 1
1 631 . 16 1 1 A 53 53 LYS N N 297 127.067 122.414 4.653 1
1 632 . 16 1 1 A 54 54 MET H H 298 8.379 8.859 -0.480 1
1 633 . 16 1 1 A 54 54 MET HA H 298 5.091 5.182 -0.091 1
1 641 . 16 1 1 A 54 54 MET CA C 298 55.427 54.877 0.550 1
1 642 . 16 1 1 A 54 54 MET CB C 298 34.100 35.685 -1.585 1
1 645 . 16 1 1 A 54 54 MET N N 298 128.992 121.117 7.875 1
1 646 . 16 1 1 A 55 55 ILE H H 299 8.279 8.801 -0.522 1
1 647 . 16 1 1 A 55 55 ILE HA H 299 4.602 5.166 -0.564 1
1 657 . 16 1 1 A 55 55 ILE CA C 299 59.130 59.030 0.100 1
1 658 . 16 1 1 A 55 55 ILE CB C 299 42.747 42.524 0.223 1
1 662 . 16 1 1 A 56 56 VAL H H 300 9.227 8.660 0.567 1
1 663 . 16 1 1 A 56 56 VAL HA H 300 4.912 4.689 0.223 1
1 671 . 16 1 1 A 56 56 VAL CA C 300 59.226 61.187 -1.961 1
1 672 . 16 1 1 A 56 56 VAL CB C 300 36.406 34.878 1.528 1
1 675 . 16 1 1 A 57 57 SER H H 301 8.794 8.961 -0.167 1
1 676 . 16 1 1 A 57 57 SER HA H 301 4.575 4.496 0.079 1
1 679 . 16 1 1 A 57 57 SER CA C 301 56.558 58.606 -2.048 1
1 680 . 16 1 1 A 57 57 SER CB C 301 65.617 63.332 2.285 1
1 681 . 16 1 1 A 57 57 SER N N 301 128.893 122.636 6.257 1
1 682 . 16 1 1 A 58 58 GLU HA H 302 4.013 4.063 -0.050 1
1 687 . 16 1 1 A 58 58 GLU CA C 302 58.165 58.910 -0.745 1
1 688 . 16 1 1 A 58 58 GLU CB C 302 29.508 29.166 0.342 1
1 690 . 16 1 1 A 59 59 LYS HA H 303 4.114 4.313 -0.199 1
1 699 . 16 1 1 A 59 59 LYS C C 303 176.755 176.878 -0.123 1
1 700 . 16 1 1 A 59 59 LYS CA C 303 55.913 55.836 0.077 1
1 701 . 16 1 1 A 59 59 LYS CB C 303 31.679 32.857 -1.178 1
1 705 . 16 1 1 A 60 60 GLY H H 304 7.813 8.297 -0.484 1
1 706 . 16 1 1 A 60 60 GLY HA2 H 304 4.037 3.977 0.060 1
1 707 . 16 1 1 A 60 60 GLY HA3 H 304 3.411 3.978 -0.567 1
1 708 . 16 1 1 A 60 60 GLY C C 304 173.480 173.991 -0.511 1
1 709 . 16 1 1 A 60 60 GLY CA C 304 45.955 46.507 -0.552 1
1 710 . 16 1 1 A 60 60 GLY N N 304 113.597 107.945 5.652 1
1 711 . 16 1 1 A 61 61 LEU H H 305 7.253 7.291 -0.038 1
1 712 . 16 1 1 A 61 61 LEU HA H 305 4.396 4.949 -0.553 1
1 722 . 16 1 1 A 61 61 LEU CA C 305 54.825 54.048 0.777 1
1 723 . 16 1 1 A 61 61 LEU CB C 305 43.099 44.818 -1.719 1
1 727 . 16 1 1 A 61 61 LEU N N 305 128.081 120.705 7.376 1
1 728 . 16 1 1 A 62 62 HIS H H 306 8.294 9.152 -0.858 1
1 733 . 16 1 1 A 62 62 HIS N N 306 130.344 127.696 2.648 1
1 734 . 16 1 1 A 63 63 SER HA H 307 5.980 4.905 1.075 1
1 737 . 16 1 1 A 63 63 SER CA C 307 57.517 58.413 -0.896 1
1 738 . 16 1 1 A 63 63 SER CB C 307 66.760 64.504 2.256 1
1 739 . 16 1 1 A 64 64 LEU H H 308 8.827 8.279 0.548 1
1 740 . 16 1 1 A 64 64 LEU HA H 308 4.657 4.707 -0.050 1
1 750 . 16 1 1 A 64 64 LEU C C 308 174.337 174.320 0.017 1
1 751 . 16 1 1 A 64 64 LEU CA C 308 54.386 53.664 0.722 1
1 752 . 16 1 1 A 64 64 LEU CB C 308 42.678 45.197 -2.519 1
1 756 . 16 1 1 A 65 65 ILE H H 309 9.009 8.567 0.442 1
1 757 . 16 1 1 A 65 65 ILE HA H 309 3.880 4.609 -0.729 1
1 767 . 16 1 1 A 65 65 ILE C C 309 173.963 174.330 -0.367 1
1 768 . 16 1 1 A 65 65 ILE CA C 309 60.296 59.334 0.962 1
1 769 . 16 1 1 A 65 65 ILE CB C 309 40.727 41.003 -0.276 1
1 773 . 16 1 1 A 65 65 ILE N N 309 133.046 126.891 6.155 1
1 774 . 16 1 1 A 66 66 PHE H H 310 8.508 8.783 -0.275 1
1 775 . 16 1 1 A 66 66 PHE HA H 310 4.367 4.783 -0.416 1
1 783 . 16 1 1 A 66 66 PHE C C 310 174.555 175.748 -1.193 1
1 784 . 16 1 1 A 66 66 PHE CA C 310 54.878 55.856 -0.978 1
1 785 . 16 1 1 A 66 66 PHE CB C 310 38.819 39.908 -1.089 1
1 789 . 16 1 1 A 66 66 PHE N N 310 132.294 125.518 6.776 1
1 790 . 16 1 1 A 67 67 GLU H H 311 7.879 8.785 -0.906 1
1 791 . 16 1 1 A 67 67 GLU HA H 311 4.025 4.384 -0.359 1
1 796 . 16 1 1 A 67 67 GLU C C 311 177.819 177.171 0.648 1
1 797 . 16 1 1 A 67 67 GLU CA C 311 59.266 59.130 0.136 1
1 798 . 16 1 1 A 67 67 GLU CB C 311 30.421 30.569 -0.148 1
1 800 . 16 1 1 A 67 67 GLU N N 311 127.092 123.835 3.257 1
1 801 . 16 1 1 A 68 68 VAL H H 312 7.428 7.552 -0.124 1
1 802 . 16 1 1 A 68 68 VAL HA H 312 3.402 4.487 -1.085 1
1 810 . 16 1 1 A 68 68 VAL C C 312 173.921 174.098 -0.177 1
1 811 . 16 1 1 A 68 68 VAL CA C 312 61.444 61.008 0.436 1
1 812 . 16 1 1 A 68 68 VAL CB C 312 34.790 32.937 1.853 1
1 815 . 16 1 1 A 68 68 VAL N N 312 120.315 116.881 3.434 1
1 816 . 16 1 1 A 69 69 VAL H H 313 8.233 8.682 -0.449 1
1 817 . 16 1 1 A 69 69 VAL HA H 313 3.829 4.144 -0.315 1
1 825 . 16 1 1 A 69 69 VAL C C 313 175.123 175.062 0.061 1
1 826 . 16 1 1 A 69 69 VAL CA C 313 63.200 62.752 0.448 1
1 827 . 16 1 1 A 69 69 VAL CB C 313 32.836 32.209 0.627 1
1 830 . 16 1 1 A 69 69 VAL N N 313 132.928 128.878 4.050 1
1 831 . 16 1 1 A 70 70 ARG H H 314 9.259 8.667 0.592 1
1 832 . 16 1 1 A 70 70 ARG HA H 314 4.776 4.835 -0.059 1
1 839 . 16 1 1 A 70 70 ARG C C 314 177.491 176.212 1.279 1
1 840 . 16 1 1 A 70 70 ARG CA C 314 53.728 53.462 0.266 1
1 841 . 16 1 1 A 70 70 ARG CB C 314 34.282 33.599 0.683 1
1 844 . 16 1 1 A 70 70 ARG N N 314 133.209 126.735 6.474 1
1 845 . 16 1 1 A 71 71 ALA H H 315 9.059 8.896 0.163 1
1 846 . 16 1 1 A 71 71 ALA HA H 315 3.676 4.027 -0.351 1
1 850 . 16 1 1 A 71 71 ALA C C 315 180.122 179.679 0.443 1
1 851 . 16 1 1 A 71 71 ALA CA C 315 56.356 55.165 1.191 1
1 852 . 16 1 1 A 71 71 ALA CB C 315 17.923 18.377 -0.454 1
1 853 . 16 1 1 A 71 71 ALA N N 315 131.839 124.618 7.221 1
1 854 . 16 1 1 A 72 72 SER H H 316 7.735 8.053 -0.318 1
1 855 . 16 1 1 A 72 72 SER HA H 316 4.046 4.199 -0.153 1
1 858 . 16 1 1 A 72 72 SER C C 316 175.495 174.524 0.971 1
1 859 . 16 1 1 A 72 72 SER CA C 316 60.037 61.220 -1.183 1
1 860 . 16 1 1 A 72 72 SER CB C 316 62.381 62.997 -0.616 1
1 861 . 16 1 1 A 72 72 SER N N 316 115.841 113.768 2.073 1
1 862 . 16 1 1 A 73 73 ASP H H 317 8.175 7.916 0.259 1
1 863 . 16 1 1 A 73 73 ASP HA H 317 4.644 4.794 -0.150 1
1 866 . 16 1 1 A 73 73 ASP C C 317 176.176 175.644 0.532 1
1 867 . 16 1 1 A 73 73 ASP CA C 317 55.305 54.073 1.232 1
1 868 . 16 1 1 A 73 73 ASP CB C 317 42.572 42.138 0.434 1
1 869 . 16 1 1 A 73 73 ASP N N 317 126.327 118.766 7.561 1
1 870 . 16 1 1 A 74 74 ALA H H 318 7.339 7.096 0.243 1
1 871 . 16 1 1 A 74 74 ALA HA H 318 4.013 4.239 -0.226 1
1 875 . 16 1 1 A 74 74 ALA C C 318 176.813 177.352 -0.539 1
1 876 . 16 1 1 A 74 74 ALA CA C 318 53.570 53.058 0.512 1
1 877 . 16 1 1 A 74 74 ALA CB C 318 20.548 20.357 0.191 1
1 878 . 16 1 1 A 74 74 ALA N N 318 127.859 122.948 4.911 1
1 879 . 16 1 1 A 75 75 GLY H H 319 8.797 8.733 0.064 1
1 880 . 16 1 1 A 75 75 GLY HA2 H 319 3.599 4.101 -0.502 1
1 881 . 16 1 1 A 75 75 GLY HA3 H 319 4.239 4.149 0.090 1
1 882 . 16 1 1 A 75 75 GLY C C 319 170.102 172.525 -2.423 1
1 883 . 16 1 1 A 75 75 GLY CA C 319 45.105 44.120 0.985 1
1 884 . 16 1 1 A 75 75 GLY N N 319 114.261 107.005 7.256 1
1 885 . 16 1 1 A 76 76 ALA H H 320 7.621 8.039 -0.418 1
1 886 . 16 1 1 A 76 76 ALA HA H 320 4.521 4.737 -0.216 1
1 890 . 16 1 1 A 76 76 ALA C C 320 176.291 176.562 -0.271 1
1 891 . 16 1 1 A 76 76 ALA CA C 320 51.158 51.774 -0.616 1
1 892 . 16 1 1 A 76 76 ALA CB C 320 19.242 19.300 -0.058 1
1 893 . 16 1 1 A 76 76 ALA N N 320 129.042 123.028 6.014 1
1 894 . 16 1 1 A 77 77 TYR H H 321 9.406 8.999 0.407 1
1 895 . 16 1 1 A 77 77 TYR HA H 321 5.237 5.211 0.026 1
1 903 . 16 1 1 A 77 77 TYR C C 321 175.676 175.992 -0.316 1
1 904 . 16 1 1 A 77 77 TYR CA C 321 57.779 58.012 -0.233 1
1 905 . 16 1 1 A 77 77 TYR CB C 321 40.623 40.025 0.598 1
1 908 . 16 1 1 A 77 77 TYR N N 321 132.635 124.060 8.575 1
1 909 . 16 1 1 A 78 78 ALA H H 322 9.084 9.067 0.017 1
1 910 . 16 1 1 A 78 78 ALA HA H 322 5.031 5.338 -0.307 1
1 914 . 16 1 1 A 78 78 ALA CA C 322 50.120 51.383 -1.263 1
1 915 . 16 1 1 A 78 78 ALA CB C 322 21.653 24.336 -2.683 1
1 916 . 16 1 1 A 78 78 ALA N N 322 130.291 121.951 8.340 1
1 917 . 16 1 1 A 79 79 CYS H H 323 7.932 8.859 -0.927 1
1 918 . 16 1 1 A 79 79 CYS HA H 323 4.037 4.736 -0.699 1
1 919 . 16 1 1 A 79 79 CYS C C 323 173.727 172.680 1.047 1
1 920 . 16 1 1 A 79 79 CYS CA C 323 56.345 57.118 -0.773 1
1 921 . 16 1 1 A 80 80 VAL H H 324 8.671 9.018 -0.347 1
1 922 . 16 1 1 A 80 80 VAL HA H 324 4.596 4.490 0.106 1
1 930 . 16 1 1 A 80 80 VAL C C 324 174.904 175.203 -0.299 1
1 931 . 16 1 1 A 80 80 VAL CA C 324 60.907 61.274 -0.367 1
1 932 . 16 1 1 A 80 80 VAL CB C 324 34.334 33.490 0.844 1
1 934 . 16 1 1 A 80 80 VAL N N 324 135.079 127.089 7.990 1
1 935 . 16 1 1 A 81 81 ALA H H 325 9.107 9.031 0.076 1
1 936 . 16 1 1 A 81 81 ALA HA H 325 5.220 5.301 -0.081 1
1 940 . 16 1 1 A 81 81 ALA C C 325 175.446 175.951 -0.505 1
1 941 . 16 1 1 A 81 81 ALA CA C 325 49.197 50.459 -1.262 1
1 942 . 16 1 1 A 81 81 ALA CB C 325 22.479 21.469 1.010 1
1 943 . 16 1 1 A 81 81 ALA N N 325 136.369 129.011 7.358 1
1 944 . 16 1 1 A 82 82 LYS H H 326 8.734 8.915 -0.181 1
1 945 . 16 1 1 A 82 82 LYS HA H 326 5.021 5.174 -0.153 1
1 954 . 16 1 1 A 82 82 LYS C C 326 175.054 175.190 -0.136 1
1 955 . 16 1 1 A 82 82 LYS CA C 326 55.451 54.669 0.782 1
1 956 . 16 1 1 A 82 82 LYS CB C 326 37.852 36.335 1.517 1
1 960 . 16 1 1 A 82 82 LYS N N 326 128.038 122.823 5.215 1
1 961 . 16 1 1 A 83 83 ASN H H 327 8.949 8.737 0.212 1
1 962 . 16 1 1 A 83 83 ASN HA H 327 4.624 5.127 -0.503 1
1 967 . 16 1 1 A 83 83 ASN C C 327 176.409 175.266 1.143 1
1 968 . 16 1 1 A 83 83 ASN CA C 327 51.838 51.419 0.419 1
1 969 . 16 1 1 A 83 83 ASN CB C 327 40.927 39.639 1.288 1
1 970 . 16 1 1 A 83 83 ASN N N 327 128.769 121.560 7.209 1
1 972 . 16 1 1 A 84 84 ARG H H 328 8.203 9.132 -0.929 1
1 973 . 16 1 1 A 84 84 ARG HA H 328 3.917 4.079 -0.162 1
1 981 . 16 1 1 A 84 84 ARG C C 328 175.820 175.999 -0.179 1
1 982 . 16 1 1 A 84 84 ARG CA C 328 58.250 58.038 0.212 1
1 983 . 16 1 1 A 84 84 ARG CB C 328 29.985 29.585 0.400 1
1 986 . 16 1 1 A 84 84 ARG N N 328 121.021 117.722 3.299 1
1 988 . 16 1 1 A 85 85 ALA H H 329 7.599 8.076 -0.477 1
1 989 . 16 1 1 A 85 85 ALA HA H 329 4.279 4.505 -0.226 1
1 993 . 16 1 1 A 85 85 ALA C C 329 177.261 176.933 0.328 1
1 994 . 16 1 1 A 85 85 ALA CA C 329 51.905 51.885 0.020 1
1 995 . 16 1 1 A 85 85 ALA CB C 329 19.637 20.823 -1.186 1
1 996 . 16 1 1 A 85 85 ALA N N 329 125.074 121.403 3.671 1
1 997 . 16 1 1 A 86 86 GLY H H 330 7.624 7.167 0.457 1
1 998 . 16 1 1 A 86 86 GLY HA2 H 330 3.806 4.050 -0.244 1
1 999 . 16 1 1 A 86 86 GLY HA3 H 330 4.164 4.053 0.111 1
1 1000 . 16 1 1 A 86 86 GLY C C 330 169.646 171.004 -1.358 1
1 1001 . 16 1 1 A 86 86 GLY CA C 330 46.012 46.039 -0.027 1
1 1002 . 16 1 1 A 86 86 GLY N N 330 112.891 103.682 9.209 1
1 1003 . 16 1 1 A 87 87 GLU H H 331 8.213 8.504 -0.291 1
1 1004 . 16 1 1 A 87 87 GLU HA H 331 5.274 5.242 0.032 1
1 1009 . 16 1 1 A 87 87 GLU C C 331 174.418 174.805 -0.387 1
1 1010 . 16 1 1 A 87 87 GLU CA C 331 54.349 55.065 -0.716 1
1 1011 . 16 1 1 A 87 87 GLU CB C 331 34.615 33.444 1.171 1
1 1013 . 16 1 1 A 87 87 GLU N N 331 123.208 120.114 3.094 1
1 1014 . 16 1 1 A 88 88 ALA H H 332 8.897 8.859 0.038 1
1 1015 . 16 1 1 A 88 88 ALA HA H 332 4.569 4.963 -0.394 1
1 1019 . 16 1 1 A 88 88 ALA C C 332 175.121 174.788 0.333 1
1 1020 . 16 1 1 A 88 88 ALA CA C 332 51.592 50.206 1.386 1
1 1021 . 16 1 1 A 88 88 ALA CB C 332 23.324 23.084 0.240 1
1 1022 . 16 1 1 A 88 88 ALA N N 332 131.757 126.220 5.537 1
1 1023 . 16 1 1 A 89 89 THR H H 333 8.521 8.007 0.514 1
1 1024 . 16 1 1 A 89 89 THR HA H 333 5.661 4.714 0.947 1
1 1029 . 16 1 1 A 89 89 THR C C 333 173.827 173.016 0.811 1
1 1030 . 16 1 1 A 89 89 THR CA C 333 60.601 60.622 -0.021 1
1 1031 . 16 1 1 A 89 89 THR CB C 333 72.140 71.954 0.186 1
1 1033 . 16 1 1 A 89 89 THR N N 333 121.100 113.977 7.123 1
1 1034 . 16 1 1 A 90 90 PHE H H 334 8.603 8.795 -0.192 1
1 1035 . 16 1 1 A 90 90 PHE HA H 334 4.624 5.414 -0.790 1
1 1043 . 16 1 1 A 90 90 PHE CA C 334 56.618 56.121 0.497 1
1 1044 . 16 1 1 A 90 90 PHE CB C 334 42.489 43.769 -1.280 1
1 1048 . 16 1 1 A 91 91 THR H H 335 8.174 8.956 -0.782 1
1 1049 . 16 1 1 A 91 91 THR HA H 335 5.445 5.266 0.179 1
1 1054 . 16 1 1 A 91 91 THR CA C 335 60.110 61.479 -1.369 1
1 1055 . 16 1 1 A 91 91 THR CB C 335 71.671 72.261 -0.590 1
1 1057 . 16 1 1 A 92 92 VAL H H 336 9.158 8.935 0.223 1
1 1058 . 16 1 1 A 92 92 VAL HA H 336 4.432 4.889 -0.457 1
1 1066 . 16 1 1 A 92 92 VAL C C 336 171.594 173.375 -1.781 1
1 1067 . 16 1 1 A 92 92 VAL CA C 336 60.914 60.123 0.791 1
1 1068 . 16 1 1 A 92 92 VAL CB C 336 35.760 35.866 -0.106 1
1 1071 . 16 1 1 A 92 92 VAL N N 336 130.220 122.051 8.169 1
1 1072 . 16 1 1 A 93 93 GLN H H 337 8.302 8.551 -0.249 1
1 1073 . 16 1 1 A 93 93 GLN HA H 337 4.756 5.385 -0.629 1
1 1080 . 16 1 1 A 93 93 GLN C C 337 174.009 173.450 0.559 1
1 1081 . 16 1 1 A 93 93 GLN CA C 337 54.672 54.429 0.243 1
1 1082 . 16 1 1 A 93 93 GLN CB C 337 30.071 32.786 -2.715 1
1 1084 . 16 1 1 A 93 93 GLN N N 337 133.412 125.615 7.797 1
1 1086 . 16 1 1 A 94 94 LEU H H 338 8.812 9.239 -0.427 1
1 1087 . 16 1 1 A 94 94 LEU HA H 338 4.836 4.984 -0.148 1
1 1097 . 16 1 1 A 94 94 LEU C C 338 175.099 174.472 0.627 1
1 1098 . 16 1 1 A 94 94 LEU CA C 338 53.725 53.945 -0.220 1
1 1099 . 16 1 1 A 94 94 LEU CB C 338 44.955 44.997 -0.042 1
1 1103 . 16 1 1 A 94 94 LEU N N 338 133.816 127.216 6.600 1
1 1104 . 16 1 1 A 95 95 ASP H H 339 8.747 9.244 -0.497 1
1 1105 . 16 1 1 A 95 95 ASP HA H 339 4.871 4.780 0.091 1
1 1108 . 16 1 1 A 95 95 ASP C C 339 174.295 174.704 -0.409 1
1 1109 . 16 1 1 A 95 95 ASP CA C 339 53.311 53.029 0.282 1
1 1110 . 16 1 1 A 95 95 ASP CB C 339 42.895 40.444 2.451 1
1 1111 . 16 1 1 A 95 95 ASP N N 339 134.770 128.320 6.450 1
1 1112 . 16 1 1 A 96 96 VAL H H 340 7.745 8.251 -0.506 1
1 1113 . 16 1 1 A 96 96 VAL HA H 340 4.653 4.223 0.430 1
1 1121 . 16 1 1 A 96 96 VAL C C 340 175.494 175.561 -0.067 1
1 1122 . 16 1 1 A 96 96 VAL CA C 340 60.722 62.990 -2.268 1
1 1123 . 16 1 1 A 96 96 VAL CB C 340 33.852 31.534 2.318 1
1 1126 . 16 1 1 A 96 96 VAL N N 340 128.328 125.552 2.776 1
1 1127 . 16 1 1 A 97 97 LEU H H 341 8.524 8.903 -0.379 1
1 1128 . 16 1 1 A 97 97 LEU HA H 341 4.243 4.613 -0.370 1
1 1138 . 16 1 1 A 97 97 LEU C C 341 176.052 176.400 -0.348 1
1 1139 . 16 1 1 A 97 97 LEU CA C 341 54.086 54.319 -0.233 1
1 1140 . 16 1 1 A 97 97 LEU CB C 341 41.446 41.111 0.335 1
1 1144 . 16 1 1 A 97 97 LEU N N 341 136.554 129.549 7.005 1
1 1145 . 16 1 1 A 98 98 ALA H H 342 8.344 8.651 -0.307 1
1 1146 . 16 1 1 A 98 98 ALA HA H 342 4.227 4.283 -0.056 1
1 1150 . 16 1 1 A 98 98 ALA C C 342 177.569 178.166 -0.597 1
1 1151 . 16 1 1 A 98 98 ALA CA C 342 51.964 52.626 -0.662 1
1 1152 . 16 1 1 A 98 98 ALA CB C 342 19.976 18.927 1.049 1
1 1153 . 16 1 1 A 98 98 ALA N N 342 134.558 128.368 6.190 1
1 1154 . 16 1 1 A 99 99 LYS H H 343 8.552 8.511 0.041 1
1 1155 . 16 1 1 A 99 99 LYS HA H 343 4.119 4.130 -0.011 1
1 1164 . 16 1 1 A 99 99 LYS C C 343 175.859 176.320 -0.461 1
1 1165 . 16 1 1 A 99 99 LYS CA C 343 56.453 58.097 -1.644 1
1 1166 . 16 1 1 A 99 99 LYS CB C 343 33.257 33.076 0.181 1
1 1170 . 16 1 1 A 99 99 LYS N N 343 128.906 122.619 6.287 1
1 4 . 17 1 1 A 2 2 ALA HA H -3 4.167 4.433 -0.266 1
1 8 . 17 1 1 A 2 2 ALA C C -3 177.254 177.072 0.182 1
1 9 . 17 1 1 A 2 2 ALA CA C -3 52.427 52.159 0.268 1
1 10 . 17 1 1 A 2 2 ALA CB C -3 19.740 19.921 -0.181 1
1 11 . 17 1 1 A 3 3 MET H H -2 8.135 8.837 -0.702 1
1 12 . 17 1 1 A 3 3 MET HA H -2 4.351 4.988 -0.637 1
1 20 . 17 1 1 A 3 3 MET C C -2 176.007 174.685 1.322 1
1 21 . 17 1 1 A 3 3 MET CA C -2 55.444 53.452 1.992 1
1 22 . 17 1 1 A 3 3 MET CB C -2 34.277 36.473 -2.196 1
1 25 . 17 1 1 A 3 3 MET N N -2 125.628 115.321 10.307 1
1 43 . 17 1 1 A 6 6 PRO HA H 250 4.591 4.581 0.010 1
1 50 . 17 1 1 A 6 6 PRO C C 250 175.444 175.626 -0.182 1
1 51 . 17 1 1 A 6 6 PRO CA C 250 61.829 62.458 -0.629 1
1 52 . 17 1 1 A 6 6 PRO CB C 250 32.464 32.786 -0.322 1
1 55 . 17 1 1 A 7 7 ARG H H 251 7.588 8.851 -1.263 1
1 56 . 17 1 1 A 7 7 ARG HA H 251 4.078 4.761 -0.683 1
1 64 . 17 1 1 A 7 7 ARG C C 251 175.065 174.433 0.632 1
1 65 . 17 1 1 A 7 7 ARG CA C 251 54.552 54.993 -0.441 1
1 66 . 17 1 1 A 7 7 ARG CB C 251 33.587 34.210 -0.623 1
1 69 . 17 1 1 A 7 7 ARG N N 251 124.900 121.023 3.877 1
1 71 . 17 1 1 A 8 8 PHE H H 252 8.893 8.913 -0.020 1
1 72 . 17 1 1 A 8 8 PHE HA H 252 4.708 4.450 0.258 1
1 80 . 17 1 1 A 8 8 PHE CA C 252 59.744 58.208 1.536 1
1 81 . 17 1 1 A 8 8 PHE CB C 252 39.263 38.449 0.814 1
1 85 . 17 1 1 A 8 8 PHE N N 252 128.828 122.106 6.722 1
1 86 . 17 1 1 A 9 9 ILE H H 253 8.223 8.888 -0.665 1
1 87 . 17 1 1 A 9 9 ILE HA H 253 4.090 4.794 -0.704 1
1 97 . 17 1 1 A 9 9 ILE C C 253 175.698 175.405 0.293 1
1 98 . 17 1 1 A 9 9 ILE CA C 253 61.230 59.784 1.446 1
1 99 . 17 1 1 A 9 9 ILE CB C 253 39.165 40.068 -0.903 1
1 103 . 17 1 1 A 9 9 ILE N N 253 128.239 124.482 3.757 1
1 104 . 17 1 1 A 10 10 GLN H H 254 7.437 8.397 -0.960 1
1 105 . 17 1 1 A 10 10 GLN HA H 254 4.450 4.290 0.160 1
1 112 . 17 1 1 A 10 10 GLN C C 254 174.149 175.216 -1.067 1
1 113 . 17 1 1 A 10 10 GLN CA C 254 56.197 56.611 -0.414 1
1 114 . 17 1 1 A 10 10 GLN CB C 254 32.367 29.314 3.053 1
1 116 . 17 1 1 A 10 10 GLN N N 254 127.323 122.983 4.340 1
1 118 . 17 1 1 A 11 11 VAL H H 255 8.283 8.469 -0.186 1
1 119 . 17 1 1 A 11 11 VAL HA H 255 4.185 4.323 -0.138 1
1 127 . 17 1 1 A 11 11 VAL CA C 255 57.931 60.869 -2.938 1
1 128 . 17 1 1 A 11 11 VAL CB C 255 33.230 32.101 1.129 1
1 131 . 17 1 1 A 11 11 VAL N N 255 126.734 124.127 2.607 1
1 132 . 17 1 1 A 12 12 PRO HA H 256 4.538 4.433 0.105 1
1 139 . 17 1 1 A 12 12 PRO CA C 256 62.209 62.063 0.146 1
1 140 . 17 1 1 A 12 12 PRO CB C 256 31.724 32.074 -0.350 1
1 143 . 17 1 1 A 13 13 GLU H H 257 7.870 8.447 -0.577 1
1 144 . 17 1 1 A 13 13 GLU HA H 257 4.257 4.440 -0.183 1
1 149 . 17 1 1 A 13 13 GLU CA C 257 54.764 56.515 -1.751 1
1 150 . 17 1 1 A 13 13 GLU CB C 257 31.690 30.176 1.514 1
1 152 . 17 1 1 A 13 13 GLU N N 257 124.369 120.831 3.538 1
1 153 . 17 1 1 A 14 14 ASN H H 258 8.133 8.562 -0.429 1
1 154 . 17 1 1 A 14 14 ASN HA H 258 4.639 4.765 -0.126 1
1 159 . 17 1 1 A 14 14 ASN CA C 258 54.285 53.921 0.364 1
1 160 . 17 1 1 A 14 14 ASN CB C 258 38.023 38.606 -0.583 1
1 161 . 17 1 1 A 14 14 ASN N N 258 123.151 120.661 2.490 1
1 163 . 17 1 1 A 15 15 MET H H 259 8.295 8.864 -0.569 1
1 164 . 17 1 1 A 15 15 MET HA H 259 4.695 5.145 -0.450 1
1 172 . 17 1 1 A 15 15 MET C C 259 174.675 175.080 -0.405 1
1 173 . 17 1 1 A 15 15 MET CA C 259 55.153 54.191 0.962 1
1 174 . 17 1 1 A 15 15 MET CB C 259 38.064 34.645 3.419 1
1 177 . 17 1 1 A 15 15 MET N N 259 125.442 123.159 2.283 1
1 178 . 17 1 1 A 16 16 SER H H 260 8.332 8.903 -0.571 1
1 179 . 17 1 1 A 16 16 SER HA H 260 5.261 5.458 -0.197 1
1 182 . 17 1 1 A 16 16 SER C C 260 172.889 173.254 -0.365 1
1 183 . 17 1 1 A 16 16 SER CA C 260 56.748 56.891 -0.143 1
1 184 . 17 1 1 A 16 16 SER CB C 260 64.170 64.773 -0.603 1
1 185 . 17 1 1 A 16 16 SER N N 260 125.417 113.182 12.235 1
1 186 . 17 1 1 A 17 17 ILE H H 261 8.394 8.947 -0.553 1
1 187 . 17 1 1 A 17 17 ILE HA H 261 4.366 4.618 -0.252 1
1 197 . 17 1 1 A 17 17 ILE C C 261 173.465 175.335 -1.870 1
1 198 . 17 1 1 A 17 17 ILE CA C 261 57.461 60.231 -2.770 1
1 199 . 17 1 1 A 17 17 ILE CB C 261 41.882 41.249 0.633 1
1 203 . 17 1 1 A 17 17 ILE N N 261 131.680 126.135 5.545 1
1 204 . 17 1 1 A 18 18 ASP H H 262 8.043 8.769 -0.726 1
1 205 . 17 1 1 A 18 18 ASP HA H 262 4.498 4.564 -0.066 1
1 208 . 17 1 1 A 18 18 ASP C C 262 174.970 176.002 -1.032 1
1 209 . 17 1 1 A 18 18 ASP CA C 262 54.962 54.732 0.230 1
1 210 . 17 1 1 A 18 18 ASP CB C 262 41.518 40.800 0.718 1
1 211 . 17 1 1 A 18 18 ASP N N 262 132.455 127.836 4.619 1
1 212 . 17 1 1 A 19 19 GLU H H 263 8.058 8.778 -0.720 1
1 213 . 17 1 1 A 19 19 GLU HA H 263 3.322 3.910 -0.588 1
1 218 . 17 1 1 A 19 19 GLU C C 263 176.656 177.365 -0.709 1
1 219 . 17 1 1 A 19 19 GLU CA C 263 58.351 58.299 0.052 1
1 220 . 17 1 1 A 19 19 GLU CB C 263 29.716 29.328 0.388 1
1 222 . 17 1 1 A 19 19 GLU N N 263 126.424 124.724 1.700 1
1 223 . 17 1 1 A 20 20 GLY H H 264 9.131 9.095 0.036 1
1 224 . 17 1 1 A 20 20 GLY HA2 H 264 3.366 3.983 -0.617 1
1 225 . 17 1 1 A 20 20 GLY HA3 H 264 4.196 3.985 0.211 1
1 226 . 17 1 1 A 20 20 GLY C C 264 174.582 174.438 0.144 1
1 227 . 17 1 1 A 20 20 GLY CA C 264 44.837 44.954 -0.117 1
1 228 . 17 1 1 A 20 20 GLY N N 264 119.124 114.997 4.127 1
1 229 . 17 1 1 A 21 21 ARG H H 265 7.192 7.403 -0.211 1
1 230 . 17 1 1 A 21 21 ARG HA H 265 4.377 4.397 -0.020 1
1 238 . 17 1 1 A 21 21 ARG C C 265 174.091 175.734 -1.643 1
1 239 . 17 1 1 A 21 21 ARG CA C 265 55.263 56.158 -0.895 1
1 240 . 17 1 1 A 21 21 ARG CB C 265 31.467 31.736 -0.269 1
1 243 . 17 1 1 A 21 21 ARG N N 265 126.182 120.399 5.783 1
1 245 . 17 1 1 A 22 22 PHE H H 266 7.699 8.866 -1.167 1
1 246 . 17 1 1 A 22 22 PHE HA H 266 4.688 4.927 -0.239 1
1 254 . 17 1 1 A 22 22 PHE C C 266 175.911 174.774 1.137 1
1 255 . 17 1 1 A 22 22 PHE CA C 266 57.132 59.127 -1.995 1
1 256 . 17 1 1 A 22 22 PHE CB C 266 41.270 40.125 1.145 1
1 260 . 17 1 1 A 22 22 PHE N N 266 127.111 122.959 4.152 1
1 261 . 17 1 1 A 23 23 CYS H H 267 8.140 8.245 -0.105 1
1 262 . 17 1 1 A 23 23 CYS HA H 267 4.282 5.074 -0.792 1
1 265 . 17 1 1 A 23 23 CYS C C 267 170.233 172.873 -2.640 1
1 266 . 17 1 1 A 23 23 CYS CA C 267 57.626 56.266 1.360 1
1 267 . 17 1 1 A 23 23 CYS CB C 267 30.411 31.906 -1.495 1
1 268 . 17 1 1 A 23 23 CYS N N 267 130.194 124.522 5.672 1
1 269 . 17 1 1 A 24 24 ARG H H 268 8.160 8.818 -0.658 1
1 270 . 17 1 1 A 24 24 ARG HA H 268 5.167 5.112 0.055 1
1 278 . 17 1 1 A 24 24 ARG CA C 268 53.910 54.357 -0.447 1
1 279 . 17 1 1 A 24 24 ARG CB C 268 35.114 33.772 1.342 1
1 283 . 17 1 1 A 25 25 MET H H 269 8.839 8.709 0.130 1
1 284 . 17 1 1 A 25 25 MET HA H 269 4.518 4.942 -0.424 1
1 292 . 17 1 1 A 25 25 MET C C 269 174.090 175.193 -1.103 1
1 293 . 17 1 1 A 25 25 MET CA C 269 54.960 54.630 0.330 1
1 294 . 17 1 1 A 25 25 MET CB C 269 35.645 33.916 1.729 1
1 297 . 17 1 1 A 25 25 MET N N 269 127.757 122.314 5.443 1
1 298 . 17 1 1 A 26 26 ASP H H 270 8.473 8.834 -0.361 1
1 299 . 17 1 1 A 26 26 ASP HA H 270 5.772 5.518 0.254 1
1 302 . 17 1 1 A 26 26 ASP CA C 270 53.157 52.450 0.707 1
1 303 . 17 1 1 A 26 26 ASP CB C 270 43.595 44.289 -0.694 1
1 304 . 17 1 1 A 26 26 ASP N N 270 129.880 117.789 12.091 1
1 305 . 17 1 1 A 27 27 PHE H H 271 9.180 9.227 -0.047 1
1 306 . 17 1 1 A 27 27 PHE HA H 271 5.014 5.150 -0.136 1
1 314 . 17 1 1 A 27 27 PHE CA C 271 55.904 56.406 -0.502 1
1 317 . 17 1 1 A 27 27 PHE N N 271 123.116 121.184 1.932 1
1 318 . 17 1 1 A 28 28 LYS H H 272 9.221 8.664 0.557 1
1 327 . 17 1 1 A 28 28 LYS CA C 272 59.294 57.132 2.162 1
1 328 . 17 1 1 A 28 28 LYS CB C 272 38.090 33.393 4.697 1
1 332 . 17 1 1 A 28 28 LYS N N 272 131.321 125.677 5.644 1
1 333 . 17 1 1 A 29 29 VAL H H 273 8.304 8.651 -0.347 1
1 334 . 17 1 1 A 29 29 VAL HA H 273 4.331 4.969 -0.638 1
1 342 . 17 1 1 A 29 29 VAL C C 273 175.240 173.537 1.703 1
1 343 . 17 1 1 A 29 29 VAL CA C 273 61.020 59.729 1.291 1
1 344 . 17 1 1 A 29 29 VAL CB C 273 33.889 35.747 -1.858 1
1 347 . 17 1 1 A 30 30 SER H H 274 8.545 8.935 -0.390 1
1 348 . 17 1 1 A 30 30 SER HA H 274 4.647 4.896 -0.249 1
1 351 . 17 1 1 A 30 30 SER C C 274 172.993 173.136 -0.143 1
1 352 . 17 1 1 A 30 30 SER CA C 274 56.505 56.532 -0.027 1
1 353 . 17 1 1 A 30 30 SER CB C 274 65.805 65.330 0.475 1
1 354 . 17 1 1 A 30 30 SER N N 274 129.796 121.273 8.523 1
1 355 . 17 1 1 A 31 31 GLY H H 275 7.712 8.578 -0.866 1
1 356 . 17 1 1 A 31 31 GLY HA2 H 275 3.220 4.146 -0.926 1
1 357 . 17 1 1 A 31 31 GLY HA3 H 275 3.649 4.151 -0.502 1
1 358 . 17 1 1 A 31 31 GLY C C 275 170.984 171.879 -0.895 1
1 359 . 17 1 1 A 31 31 GLY CA C 275 45.099 44.155 0.944 1
1 360 . 17 1 1 A 31 31 GLY N N 275 115.009 111.412 3.597 1
1 361 . 17 1 1 A 32 32 LEU H H 276 7.668 8.434 -0.766 1
1 362 . 17 1 1 A 32 32 LEU HA H 276 4.301 4.928 -0.627 1
1 372 . 17 1 1 A 32 32 LEU C C 276 173.812 174.522 -0.710 1
1 373 . 17 1 1 A 32 32 LEU CA C 276 52.370 51.533 0.837 1
1 374 . 17 1 1 A 32 32 LEU CB C 276 45.554 46.026 -0.472 1
1 378 . 17 1 1 A 32 32 LEU N N 276 129.727 120.997 8.730 1
1 379 . 17 1 1 A 33 33 PRO HA H 277 4.416 4.634 -0.218 1
1 386 . 17 1 1 A 33 33 PRO CA C 277 62.576 62.341 0.235 1
1 387 . 17 1 1 A 33 33 PRO CB C 277 35.012 32.700 2.312 1
1 390 . 17 1 1 A 34 34 ALA H H 278 8.598 8.315 0.283 1
1 391 . 17 1 1 A 34 34 ALA HA H 278 4.153 4.263 -0.110 1
1 395 . 17 1 1 A 34 34 ALA CA C 278 50.822 50.661 0.161 1
1 396 . 17 1 1 A 34 34 ALA CB C 278 17.462 19.094 -1.632 1
1 397 . 17 1 1 A 34 34 ALA N N 278 131.518 124.335 7.183 1
1 398 . 17 1 1 A 35 35 PRO HA H 279 4.206 4.473 -0.267 1
1 405 . 17 1 1 A 35 35 PRO C C 279 175.701 175.922 -0.221 1
1 406 . 17 1 1 A 35 35 PRO CA C 279 62.628 62.394 0.234 1
1 407 . 17 1 1 A 35 35 PRO CB C 279 33.069 32.074 0.995 1
1 410 . 17 1 1 A 36 36 ASP H H 280 8.621 8.437 0.184 1
1 411 . 17 1 1 A 36 36 ASP HA H 280 4.659 4.746 -0.087 1
1 414 . 17 1 1 A 36 36 ASP C C 280 176.057 175.658 0.399 1
1 415 . 17 1 1 A 36 36 ASP CA C 280 54.307 54.035 0.272 1
1 416 . 17 1 1 A 36 36 ASP CB C 280 42.741 41.745 0.996 1
1 417 . 17 1 1 A 36 36 ASP N N 280 127.555 121.845 5.710 1
1 418 . 17 1 1 A 37 37 VAL H H 281 8.635 8.812 -0.177 1
1 419 . 17 1 1 A 37 37 VAL HA H 281 4.938 4.862 0.076 1
1 427 . 17 1 1 A 37 37 VAL CA C 281 61.135 60.569 0.566 1
1 428 . 17 1 1 A 37 37 VAL CB C 281 34.579 32.681 1.898 1
1 431 . 17 1 1 A 38 38 SER H H 282 8.591 8.458 0.133 1
1 432 . 17 1 1 A 38 38 SER HA H 282 4.518 4.587 -0.069 1
1 435 . 17 1 1 A 38 38 SER CA C 282 57.540 59.014 -1.474 1
1 436 . 17 1 1 A 38 38 SER CB C 282 66.530 63.346 3.184 1
1 437 . 17 1 1 A 38 38 SER N N 282 128.264 123.450 4.814 1
1 438 . 17 1 1 A 39 39 TRP H H 283 8.426 9.046 -0.620 1
1 439 . 17 1 1 A 39 39 TRP HA H 283 5.297 5.343 -0.046 1
1 448 . 17 1 1 A 39 39 TRP CA C 283 56.298 56.090 0.208 1
1 449 . 17 1 1 A 39 39 TRP CB C 283 33.153 31.997 1.156 1
1 455 . 17 1 1 A 39 39 TRP N N 283 127.698 128.084 -0.386 1
1 456 . 17 1 1 A 40 40 TYR H H 284 9.373 9.312 0.061 1
1 457 . 17 1 1 A 40 40 TYR HA H 284 4.903 5.428 -0.525 1
1 464 . 17 1 1 A 40 40 TYR C C 284 174.148 174.659 -0.511 1
1 465 . 17 1 1 A 40 40 TYR CA C 284 56.849 56.309 0.540 1
1 466 . 17 1 1 A 40 40 TYR CB C 284 42.754 43.325 -0.571 1
1 469 . 17 1 1 A 40 40 TYR N N 284 125.437 120.447 4.990 1
1 470 . 17 1 1 A 41 41 LEU H H 285 8.898 9.193 -0.295 1
1 471 . 17 1 1 A 41 41 LEU HA H 285 4.255 4.616 -0.361 1
1 481 . 17 1 1 A 41 41 LEU C C 285 176.606 175.469 1.137 1
1 482 . 17 1 1 A 41 41 LEU CA C 285 53.659 53.970 -0.311 1
1 483 . 17 1 1 A 41 41 LEU CB C 285 43.740 44.765 -1.025 1
1 487 . 17 1 1 A 41 41 LEU N N 285 129.512 122.574 6.938 1
1 488 . 17 1 1 A 42 42 ASN H H 286 9.454 9.458 -0.004 1
1 489 . 17 1 1 A 42 42 ASN HA H 286 4.221 4.423 -0.202 1
1 494 . 17 1 1 A 42 42 ASN C C 286 175.692 175.274 0.418 1
1 495 . 17 1 1 A 42 42 ASN CA C 286 54.239 54.408 -0.169 1
1 496 . 17 1 1 A 42 42 ASN CB C 286 37.331 36.970 0.361 1
1 497 . 17 1 1 A 42 42 ASN N N 286 134.097 126.379 7.718 1
1 499 . 17 1 1 A 43 43 GLY H H 287 8.709 8.366 0.343 1
1 500 . 17 1 1 A 43 43 GLY HA2 H 287 3.356 3.942 -0.586 1
1 501 . 17 1 1 A 43 43 GLY HA3 H 287 3.995 3.958 0.037 1
1 502 . 17 1 1 A 43 43 GLY C C 287 173.786 174.504 -0.718 1
1 503 . 17 1 1 A 43 43 GLY CA C 287 45.450 45.140 0.310 1
1 504 . 17 1 1 A 43 43 GLY N N 287 108.807 104.978 3.829 1
1 505 . 17 1 1 A 44 44 ARG H H 288 7.902 7.563 0.339 1
1 506 . 17 1 1 A 44 44 ARG HA H 288 4.697 4.674 0.023 1
1 514 . 17 1 1 A 44 44 ARG C C 288 175.799 176.349 -0.550 1
1 515 . 17 1 1 A 44 44 ARG CA C 288 54.658 54.804 -0.146 1
1 516 . 17 1 1 A 44 44 ARG CB C 288 32.436 31.692 0.744 1
1 519 . 17 1 1 A 44 44 ARG N N 288 127.837 120.202 7.635 1
1 521 . 17 1 1 A 45 45 THR H H 289 8.539 8.621 -0.082 1
1 522 . 17 1 1 A 45 45 THR HA H 289 3.763 4.457 -0.694 1
1 527 . 17 1 1 A 45 45 THR C C 289 174.692 174.343 0.349 1
1 528 . 17 1 1 A 45 45 THR CA C 289 63.977 61.290 2.687 1
1 529 . 17 1 1 A 45 45 THR CB C 289 69.706 70.000 -0.294 1
1 531 . 17 1 1 A 45 45 THR N N 289 126.100 113.968 12.132 1
1 532 . 17 1 1 A 46 46 VAL H H 290 8.033 8.377 -0.344 1
1 533 . 17 1 1 A 46 46 VAL HA H 290 3.647 4.513 -0.866 1
1 541 . 17 1 1 A 46 46 VAL C C 290 174.672 175.507 -0.835 1
1 542 . 17 1 1 A 46 46 VAL CA C 290 62.458 61.459 0.999 1
1 543 . 17 1 1 A 46 46 VAL CB C 290 32.500 34.346 -1.846 1
1 546 . 17 1 1 A 46 46 VAL N N 290 134.795 121.257 13.538 1
1 547 . 17 1 1 A 47 47 GLN H H 291 8.124 8.587 -0.463 1
1 548 . 17 1 1 A 47 47 GLN HA H 291 4.281 4.302 -0.021 1
1 555 . 17 1 1 A 47 47 GLN C C 291 175.398 175.886 -0.488 1
1 556 . 17 1 1 A 47 47 GLN CA C 291 54.235 56.129 -1.894 1
1 557 . 17 1 1 A 47 47 GLN CB C 291 30.283 29.485 0.798 1
1 559 . 17 1 1 A 47 47 GLN N N 291 132.792 127.196 5.596 1
1 561 . 17 1 1 A 48 48 SER H H 292 8.280 8.457 -0.177 1
1 562 . 17 1 1 A 48 48 SER HA H 292 4.308 4.580 -0.272 1
1 565 . 17 1 1 A 48 48 SER C C 292 174.304 173.632 0.672 1
1 566 . 17 1 1 A 48 48 SER CA C 292 58.222 57.842 0.380 1
1 567 . 17 1 1 A 48 48 SER CB C 292 63.719 64.113 -0.394 1
1 568 . 17 1 1 A 48 48 SER N N 292 123.481 116.800 6.681 1
1 569 . 17 1 1 A 49 49 ASP H H 293 9.050 8.709 0.341 1
1 570 . 17 1 1 A 49 49 ASP HA H 293 4.482 4.883 -0.401 1
1 573 . 17 1 1 A 49 49 ASP C C 293 176.099 175.946 0.153 1
1 574 . 17 1 1 A 49 49 ASP CA C 293 53.668 53.219 0.449 1
1 575 . 17 1 1 A 49 49 ASP CB C 293 40.100 42.267 -2.167 1
1 576 . 17 1 1 A 49 49 ASP N N 293 131.157 120.239 10.918 1
1 577 . 17 1 1 A 50 50 ASP H H 294 8.324 8.804 -0.480 1
1 578 . 17 1 1 A 50 50 ASP HA H 294 4.167 4.310 -0.143 1
1 581 . 17 1 1 A 50 50 ASP C C 294 176.520 176.688 -0.168 1
1 582 . 17 1 1 A 50 50 ASP CA C 294 57.367 56.239 1.128 1
1 583 . 17 1 1 A 50 50 ASP CB C 294 40.226 40.574 -0.348 1
1 584 . 17 1 1 A 50 50 ASP N N 294 122.206 118.602 3.604 1
1 585 . 17 1 1 A 51 51 LEU H H 295 7.749 7.632 0.117 1
1 586 . 17 1 1 A 51 51 LEU HA H 295 4.281 4.318 -0.037 1
1 596 . 17 1 1 A 51 51 LEU C C 295 175.716 176.495 -0.779 1
1 597 . 17 1 1 A 51 51 LEU CA C 295 54.407 54.600 -0.193 1
1 598 . 17 1 1 A 51 51 LEU CB C 295 43.849 42.199 1.650 1
1 602 . 17 1 1 A 51 51 LEU N N 295 121.836 115.997 5.839 1
1 603 . 17 1 1 A 52 52 HIS H H 296 7.548 7.645 -0.097 1
1 604 . 17 1 1 A 52 52 HIS HA H 296 5.091 4.709 0.382 1
1 609 . 17 1 1 A 52 52 HIS C C 296 172.683 173.879 -1.196 1
1 610 . 17 1 1 A 52 52 HIS CA C 296 54.900 53.900 1.000 1
1 611 . 17 1 1 A 52 52 HIS CB C 296 28.894 29.178 -0.284 1
1 614 . 17 1 1 A 52 52 HIS N N 296 126.326 116.467 9.859 1
1 615 . 17 1 1 A 53 53 LYS H H 297 8.515 8.404 0.111 1
1 616 . 17 1 1 A 53 53 LYS HA H 297 4.608 4.286 0.322 1
1 625 . 17 1 1 A 53 53 LYS C C 297 174.797 175.639 -0.842 1
1 626 . 17 1 1 A 53 53 LYS CA C 297 54.303 56.590 -2.287 1
1 627 . 17 1 1 A 53 53 LYS CB C 297 35.705 32.971 2.734 1
1 631 . 17 1 1 A 53 53 LYS N N 297 127.067 121.987 5.080 1
1 632 . 17 1 1 A 54 54 MET H H 298 8.379 8.939 -0.560 1
1 633 . 17 1 1 A 54 54 MET HA H 298 5.091 5.270 -0.179 1
1 641 . 17 1 1 A 54 54 MET CA C 298 55.427 54.290 1.137 1
1 642 . 17 1 1 A 54 54 MET CB C 298 34.100 34.815 -0.715 1
1 645 . 17 1 1 A 54 54 MET N N 298 128.992 122.350 6.642 1
1 646 . 17 1 1 A 55 55 ILE H H 299 8.279 8.615 -0.336 1
1 647 . 17 1 1 A 55 55 ILE HA H 299 4.602 5.305 -0.703 1
1 657 . 17 1 1 A 55 55 ILE CA C 299 59.130 59.133 -0.003 1
1 658 . 17 1 1 A 55 55 ILE CB C 299 42.747 42.327 0.420 1
1 662 . 17 1 1 A 56 56 VAL H H 300 9.227 8.772 0.455 1
1 663 . 17 1 1 A 56 56 VAL HA H 300 4.912 5.257 -0.345 1
1 671 . 17 1 1 A 56 56 VAL CA C 300 59.226 59.349 -0.123 1
1 672 . 17 1 1 A 56 56 VAL CB C 300 36.406 35.950 0.456 1
1 675 . 17 1 1 A 57 57 SER H H 301 8.794 8.684 0.110 1
1 676 . 17 1 1 A 57 57 SER HA H 301 4.575 5.168 -0.593 1
1 679 . 17 1 1 A 57 57 SER CA C 301 56.558 56.312 0.246 1
1 680 . 17 1 1 A 57 57 SER CB C 301 65.617 65.353 0.264 1
1 681 . 17 1 1 A 57 57 SER N N 301 128.893 116.380 12.513 1
1 682 . 17 1 1 A 58 58 GLU HA H 302 4.013 4.102 -0.089 1
1 687 . 17 1 1 A 58 58 GLU CA C 302 58.165 58.912 -0.747 1
1 688 . 17 1 1 A 58 58 GLU CB C 302 29.508 29.082 0.426 1
1 690 . 17 1 1 A 59 59 LYS HA H 303 4.114 4.309 -0.195 1
1 699 . 17 1 1 A 59 59 LYS C C 303 176.755 176.875 -0.120 1
1 700 . 17 1 1 A 59 59 LYS CA C 303 55.913 55.787 0.126 1
1 701 . 17 1 1 A 59 59 LYS CB C 303 31.679 32.724 -1.045 1
1 705 . 17 1 1 A 60 60 GLY H H 304 7.813 8.126 -0.313 1
1 706 . 17 1 1 A 60 60 GLY HA2 H 304 4.037 3.962 0.075 1
1 707 . 17 1 1 A 60 60 GLY HA3 H 304 3.411 3.969 -0.558 1
1 708 . 17 1 1 A 60 60 GLY C C 304 173.480 173.874 -0.394 1
1 709 . 17 1 1 A 60 60 GLY CA C 304 45.955 46.528 -0.573 1
1 710 . 17 1 1 A 60 60 GLY N N 304 113.597 108.269 5.328 1
1 711 . 17 1 1 A 61 61 LEU H H 305 7.253 7.206 0.047 1
1 712 . 17 1 1 A 61 61 LEU HA H 305 4.396 5.180 -0.784 1
1 722 . 17 1 1 A 61 61 LEU CA C 305 54.825 53.128 1.697 1
1 723 . 17 1 1 A 61 61 LEU CB C 305 43.099 46.565 -3.466 1
1 727 . 17 1 1 A 61 61 LEU N N 305 128.081 120.657 7.424 1
1 728 . 17 1 1 A 62 62 HIS H H 306 8.294 9.156 -0.862 1
1 733 . 17 1 1 A 62 62 HIS N N 306 130.344 125.824 4.520 1
1 734 . 17 1 1 A 63 63 SER HA H 307 5.980 5.403 0.577 1
1 737 . 17 1 1 A 63 63 SER CA C 307 57.517 57.146 0.371 1
1 738 . 17 1 1 A 63 63 SER CB C 307 66.760 66.090 0.670 1
1 739 . 17 1 1 A 64 64 LEU H H 308 8.827 8.257 0.570 1
1 740 . 17 1 1 A 64 64 LEU HA H 308 4.657 4.493 0.164 1
1 750 . 17 1 1 A 64 64 LEU C C 308 174.337 174.899 -0.562 1
1 751 . 17 1 1 A 64 64 LEU CA C 308 54.386 53.623 0.763 1
1 752 . 17 1 1 A 64 64 LEU CB C 308 42.678 43.981 -1.303 1
1 756 . 17 1 1 A 65 65 ILE H H 309 9.009 8.889 0.120 1
1 757 . 17 1 1 A 65 65 ILE HA H 309 3.880 4.318 -0.438 1
1 767 . 17 1 1 A 65 65 ILE C C 309 173.963 175.046 -1.083 1
1 768 . 17 1 1 A 65 65 ILE CA C 309 60.296 60.270 0.026 1
1 769 . 17 1 1 A 65 65 ILE CB C 309 40.727 38.237 2.490 1
1 773 . 17 1 1 A 65 65 ILE N N 309 133.046 128.151 4.895 1
1 774 . 17 1 1 A 66 66 PHE H H 310 8.508 8.933 -0.425 1
1 775 . 17 1 1 A 66 66 PHE HA H 310 4.367 4.758 -0.391 1
1 783 . 17 1 1 A 66 66 PHE C C 310 174.555 175.785 -1.230 1
1 784 . 17 1 1 A 66 66 PHE CA C 310 54.878 55.824 -0.946 1
1 785 . 17 1 1 A 66 66 PHE CB C 310 38.819 39.695 -0.876 1
1 789 . 17 1 1 A 66 66 PHE N N 310 132.294 126.056 6.238 1
1 790 . 17 1 1 A 67 67 GLU H H 311 7.879 8.741 -0.862 1
1 791 . 17 1 1 A 67 67 GLU HA H 311 4.025 4.353 -0.328 1
1 796 . 17 1 1 A 67 67 GLU C C 311 177.819 177.214 0.605 1
1 797 . 17 1 1 A 67 67 GLU CA C 311 59.266 59.160 0.106 1
1 798 . 17 1 1 A 67 67 GLU CB C 311 30.421 30.595 -0.174 1
1 800 . 17 1 1 A 67 67 GLU N N 311 127.092 124.036 3.056 1
1 801 . 17 1 1 A 68 68 VAL H H 312 7.428 7.576 -0.148 1
1 802 . 17 1 1 A 68 68 VAL HA H 312 3.402 4.424 -1.022 1
1 810 . 17 1 1 A 68 68 VAL C C 312 173.921 174.204 -0.283 1
1 811 . 17 1 1 A 68 68 VAL CA C 312 61.444 61.156 0.288 1
1 812 . 17 1 1 A 68 68 VAL CB C 312 34.790 32.494 2.296 1
1 815 . 17 1 1 A 68 68 VAL N N 312 120.315 116.780 3.535 1
1 816 . 17 1 1 A 69 69 VAL H H 313 8.233 8.594 -0.361 1
1 817 . 17 1 1 A 69 69 VAL HA H 313 3.829 4.236 -0.407 1
1 825 . 17 1 1 A 69 69 VAL C C 313 175.123 175.140 -0.017 1
1 826 . 17 1 1 A 69 69 VAL CA C 313 63.200 62.815 0.385 1
1 827 . 17 1 1 A 69 69 VAL CB C 313 32.836 32.609 0.227 1
1 830 . 17 1 1 A 69 69 VAL N N 313 132.928 128.877 4.051 1
1 831 . 17 1 1 A 70 70 ARG H H 314 9.259 8.995 0.264 1
1 832 . 17 1 1 A 70 70 ARG HA H 314 4.776 4.727 0.049 1
1 839 . 17 1 1 A 70 70 ARG C C 314 177.491 176.749 0.742 1
1 840 . 17 1 1 A 70 70 ARG CA C 314 53.728 54.038 -0.310 1
1 841 . 17 1 1 A 70 70 ARG CB C 314 34.282 33.004 1.278 1
1 844 . 17 1 1 A 70 70 ARG N N 314 133.209 127.417 5.792 1
1 845 . 17 1 1 A 71 71 ALA H H 315 9.059 8.872 0.187 1
1 846 . 17 1 1 A 71 71 ALA HA H 315 3.676 3.998 -0.322 1
1 850 . 17 1 1 A 71 71 ALA C C 315 180.122 179.454 0.668 1
1 851 . 17 1 1 A 71 71 ALA CA C 315 56.356 55.105 1.251 1
1 852 . 17 1 1 A 71 71 ALA CB C 315 17.923 18.426 -0.503 1
1 853 . 17 1 1 A 71 71 ALA N N 315 131.839 124.478 7.361 1
1 854 . 17 1 1 A 72 72 SER H H 316 7.735 8.322 -0.587 1
1 855 . 17 1 1 A 72 72 SER HA H 316 4.046 4.225 -0.179 1
1 858 . 17 1 1 A 72 72 SER C C 316 175.495 175.120 0.375 1
1 859 . 17 1 1 A 72 72 SER CA C 316 60.037 61.067 -1.030 1
1 860 . 17 1 1 A 72 72 SER CB C 316 62.381 62.609 -0.228 1
1 861 . 17 1 1 A 72 72 SER N N 316 115.841 112.163 3.678 1
1 862 . 17 1 1 A 73 73 ASP H H 317 8.175 7.957 0.218 1
1 863 . 17 1 1 A 73 73 ASP HA H 317 4.644 4.738 -0.094 1
1 866 . 17 1 1 A 73 73 ASP C C 317 176.176 176.235 -0.059 1
1 867 . 17 1 1 A 73 73 ASP CA C 317 55.305 54.966 0.339 1
1 868 . 17 1 1 A 73 73 ASP CB C 317 42.572 41.440 1.132 1
1 869 . 17 1 1 A 73 73 ASP N N 317 126.327 120.166 6.161 1
1 870 . 17 1 1 A 74 74 ALA H H 318 7.339 6.917 0.422 1
1 871 . 17 1 1 A 74 74 ALA HA H 318 4.013 4.214 -0.201 1
1 875 . 17 1 1 A 74 74 ALA C C 318 176.813 177.260 -0.447 1
1 876 . 17 1 1 A 74 74 ALA CA C 318 53.570 53.051 0.519 1
1 877 . 17 1 1 A 74 74 ALA CB C 318 20.548 20.511 0.037 1
1 878 . 17 1 1 A 74 74 ALA N N 318 127.859 121.671 6.188 1
1 879 . 17 1 1 A 75 75 GLY H H 319 8.797 8.703 0.094 1
1 880 . 17 1 1 A 75 75 GLY HA2 H 319 3.599 4.077 -0.478 1
1 881 . 17 1 1 A 75 75 GLY HA3 H 319 4.239 4.128 0.111 1
1 882 . 17 1 1 A 75 75 GLY C C 319 170.102 172.343 -2.241 1
1 883 . 17 1 1 A 75 75 GLY CA C 319 45.105 44.086 1.019 1
1 884 . 17 1 1 A 75 75 GLY N N 319 114.261 107.178 7.083 1
1 885 . 17 1 1 A 76 76 ALA H H 320 7.621 8.097 -0.476 1
1 886 . 17 1 1 A 76 76 ALA HA H 320 4.521 4.813 -0.292 1
1 890 . 17 1 1 A 76 76 ALA C C 320 176.291 176.549 -0.258 1
1 891 . 17 1 1 A 76 76 ALA CA C 320 51.158 51.582 -0.424 1
1 892 . 17 1 1 A 76 76 ALA CB C 320 19.242 19.381 -0.139 1
1 893 . 17 1 1 A 76 76 ALA N N 320 129.042 122.906 6.136 1
1 894 . 17 1 1 A 77 77 TYR H H 321 9.406 8.877 0.529 1
1 895 . 17 1 1 A 77 77 TYR HA H 321 5.237 5.227 0.010 1
1 903 . 17 1 1 A 77 77 TYR C C 321 175.676 176.067 -0.391 1
1 904 . 17 1 1 A 77 77 TYR CA C 321 57.779 58.105 -0.326 1
1 905 . 17 1 1 A 77 77 TYR CB C 321 40.623 39.963 0.660 1
1 908 . 17 1 1 A 77 77 TYR N N 321 132.635 124.061 8.574 1
1 909 . 17 1 1 A 78 78 ALA H H 322 9.084 9.130 -0.046 1
1 910 . 17 1 1 A 78 78 ALA HA H 322 5.031 5.399 -0.368 1
1 914 . 17 1 1 A 78 78 ALA CA C 322 50.120 51.437 -1.317 1
1 915 . 17 1 1 A 78 78 ALA CB C 322 21.653 24.172 -2.519 1
1 916 . 17 1 1 A 78 78 ALA N N 322 130.291 122.259 8.032 1
1 917 . 17 1 1 A 79 79 CYS H H 323 7.932 8.955 -1.023 1
1 918 . 17 1 1 A 79 79 CYS HA H 323 4.037 4.998 -0.961 1
1 919 . 17 1 1 A 79 79 CYS C C 323 173.727 173.059 0.668 1
1 920 . 17 1 1 A 79 79 CYS CA C 323 56.345 57.057 -0.712 1
1 921 . 17 1 1 A 80 80 VAL H H 324 8.671 8.975 -0.304 1
1 922 . 17 1 1 A 80 80 VAL HA H 324 4.596 4.584 0.012 1
1 930 . 17 1 1 A 80 80 VAL C C 324 174.904 174.696 0.208 1
1 931 . 17 1 1 A 80 80 VAL CA C 324 60.907 61.569 -0.662 1
1 932 . 17 1 1 A 80 80 VAL CB C 324 34.334 33.934 0.400 1
1 934 . 17 1 1 A 80 80 VAL N N 324 135.079 125.425 9.654 1
1 935 . 17 1 1 A 81 81 ALA H H 325 9.107 8.864 0.243 1
1 936 . 17 1 1 A 81 81 ALA HA H 325 5.220 5.043 0.177 1
1 940 . 17 1 1 A 81 81 ALA C C 325 175.446 176.687 -1.241 1
1 941 . 17 1 1 A 81 81 ALA CA C 325 49.197 51.150 -1.953 1
1 942 . 17 1 1 A 81 81 ALA CB C 325 22.479 19.941 2.538 1
1 943 . 17 1 1 A 81 81 ALA N N 325 136.369 131.404 4.965 1
1 944 . 17 1 1 A 82 82 LYS H H 326 8.734 8.918 -0.184 1
1 945 . 17 1 1 A 82 82 LYS HA H 326 5.021 5.121 -0.100 1
1 954 . 17 1 1 A 82 82 LYS C C 326 175.054 175.493 -0.439 1
1 955 . 17 1 1 A 82 82 LYS CA C 326 55.451 54.510 0.941 1
1 956 . 17 1 1 A 82 82 LYS CB C 326 37.852 35.727 2.125 1
1 960 . 17 1 1 A 82 82 LYS N N 326 128.038 123.079 4.959 1
1 961 . 17 1 1 A 83 83 ASN H H 327 8.949 8.792 0.157 1
1 962 . 17 1 1 A 83 83 ASN HA H 327 4.624 5.128 -0.504 1
1 967 . 17 1 1 A 83 83 ASN C C 327 176.409 175.405 1.004 1
1 968 . 17 1 1 A 83 83 ASN CA C 327 51.838 51.423 0.415 1
1 969 . 17 1 1 A 83 83 ASN CB C 327 40.927 39.768 1.159 1
1 970 . 17 1 1 A 83 83 ASN N N 327 128.769 121.713 7.056 1
1 972 . 17 1 1 A 84 84 ARG H H 328 8.203 9.131 -0.928 1
1 973 . 17 1 1 A 84 84 ARG HA H 328 3.917 4.080 -0.163 1
1 981 . 17 1 1 A 84 84 ARG C C 328 175.820 176.093 -0.273 1
1 982 . 17 1 1 A 84 84 ARG CA C 328 58.250 58.068 0.182 1
1 983 . 17 1 1 A 84 84 ARG CB C 328 29.985 29.648 0.337 1
1 986 . 17 1 1 A 84 84 ARG N N 328 121.021 117.799 3.222 1
1 988 . 17 1 1 A 85 85 ALA H H 329 7.599 8.104 -0.505 1
1 989 . 17 1 1 A 85 85 ALA HA H 329 4.279 4.485 -0.206 1
1 993 . 17 1 1 A 85 85 ALA C C 329 177.261 176.907 0.354 1
1 994 . 17 1 1 A 85 85 ALA CA C 329 51.905 51.882 0.023 1
1 995 . 17 1 1 A 85 85 ALA CB C 329 19.637 20.592 -0.955 1
1 996 . 17 1 1 A 85 85 ALA N N 329 125.074 121.695 3.379 1
1 997 . 17 1 1 A 86 86 GLY H H 330 7.624 7.117 0.507 1
1 998 . 17 1 1 A 86 86 GLY HA2 H 330 3.806 4.060 -0.254 1
1 999 . 17 1 1 A 86 86 GLY HA3 H 330 4.164 4.061 0.103 1
1 1000 . 17 1 1 A 86 86 GLY C C 330 169.646 170.841 -1.195 1
1 1001 . 17 1 1 A 86 86 GLY CA C 330 46.012 45.947 0.065 1
1 1002 . 17 1 1 A 86 86 GLY N N 330 112.891 103.332 9.559 1
1 1003 . 17 1 1 A 87 87 GLU H H 331 8.213 8.429 -0.216 1
1 1004 . 17 1 1 A 87 87 GLU HA H 331 5.274 5.368 -0.094 1
1 1009 . 17 1 1 A 87 87 GLU C C 331 174.418 174.610 -0.192 1
1 1010 . 17 1 1 A 87 87 GLU CA C 331 54.349 55.002 -0.653 1
1 1011 . 17 1 1 A 87 87 GLU CB C 331 34.615 33.559 1.056 1
1 1013 . 17 1 1 A 87 87 GLU N N 331 123.208 120.085 3.123 1
1 1014 . 17 1 1 A 88 88 ALA H H 332 8.897 8.778 0.119 1
1 1015 . 17 1 1 A 88 88 ALA HA H 332 4.569 4.501 0.068 1
1 1019 . 17 1 1 A 88 88 ALA C C 332 175.121 174.774 0.347 1
1 1020 . 17 1 1 A 88 88 ALA CA C 332 51.592 50.362 1.230 1
1 1021 . 17 1 1 A 88 88 ALA CB C 332 23.324 23.419 -0.095 1
1 1022 . 17 1 1 A 88 88 ALA N N 332 131.757 125.831 5.926 1
1 1023 . 17 1 1 A 89 89 THR H H 333 8.521 7.414 1.107 1
1 1024 . 17 1 1 A 89 89 THR HA H 333 5.661 5.292 0.369 1
1 1029 . 17 1 1 A 89 89 THR C C 333 173.827 172.941 0.886 1
1 1030 . 17 1 1 A 89 89 THR CA C 333 60.601 60.891 -0.290 1
1 1031 . 17 1 1 A 89 89 THR CB C 333 72.140 72.063 0.077 1
1 1033 . 17 1 1 A 89 89 THR N N 333 121.100 113.800 7.300 1
1 1034 . 17 1 1 A 90 90 PHE H H 334 8.603 9.008 -0.405 1
1 1035 . 17 1 1 A 90 90 PHE HA H 334 4.624 5.398 -0.774 1
1 1043 . 17 1 1 A 90 90 PHE CA C 334 56.618 56.326 0.292 1
1 1044 . 17 1 1 A 90 90 PHE CB C 334 42.489 43.562 -1.073 1
1 1048 . 17 1 1 A 91 91 THR H H 335 8.174 8.923 -0.749 1
1 1049 . 17 1 1 A 91 91 THR HA H 335 5.445 5.302 0.143 1
1 1054 . 17 1 1 A 91 91 THR CA C 335 60.110 61.502 -1.392 1
1 1055 . 17 1 1 A 91 91 THR CB C 335 71.671 72.304 -0.633 1
1 1057 . 17 1 1 A 92 92 VAL H H 336 9.158 8.918 0.240 1
1 1058 . 17 1 1 A 92 92 VAL HA H 336 4.432 4.901 -0.469 1
1 1066 . 17 1 1 A 92 92 VAL C C 336 171.594 173.343 -1.749 1
1 1067 . 17 1 1 A 92 92 VAL CA C 336 60.914 60.080 0.834 1
1 1068 . 17 1 1 A 92 92 VAL CB C 336 35.760 35.824 -0.064 1
1 1071 . 17 1 1 A 92 92 VAL N N 336 130.220 121.952 8.268 1
1 1072 . 17 1 1 A 93 93 GLN H H 337 8.302 8.551 -0.249 1
1 1073 . 17 1 1 A 93 93 GLN HA H 337 4.756 5.367 -0.611 1
1 1080 . 17 1 1 A 93 93 GLN C C 337 174.009 173.221 0.788 1
1 1081 . 17 1 1 A 93 93 GLN CA C 337 54.672 54.329 0.343 1
1 1082 . 17 1 1 A 93 93 GLN CB C 337 30.071 32.531 -2.460 1
1 1084 . 17 1 1 A 93 93 GLN N N 337 133.412 125.762 7.650 1
1 1086 . 17 1 1 A 94 94 LEU H H 338 8.812 9.205 -0.393 1
1 1087 . 17 1 1 A 94 94 LEU HA H 338 4.836 4.943 -0.107 1
1 1097 . 17 1 1 A 94 94 LEU C C 338 175.099 174.284 0.815 1
1 1098 . 17 1 1 A 94 94 LEU CA C 338 53.725 53.901 -0.176 1
1 1099 . 17 1 1 A 94 94 LEU CB C 338 44.955 45.691 -0.736 1
1 1103 . 17 1 1 A 94 94 LEU N N 338 133.816 126.672 7.144 1
1 1104 . 17 1 1 A 95 95 ASP H H 339 8.747 9.110 -0.363 1
1 1105 . 17 1 1 A 95 95 ASP HA H 339 4.871 5.007 -0.136 1
1 1108 . 17 1 1 A 95 95 ASP C C 339 174.295 175.018 -0.723 1
1 1109 . 17 1 1 A 95 95 ASP CA C 339 53.311 53.410 -0.099 1
1 1110 . 17 1 1 A 95 95 ASP CB C 339 42.895 40.516 2.379 1
1 1111 . 17 1 1 A 95 95 ASP N N 339 134.770 126.805 7.965 1
1 1112 . 17 1 1 A 96 96 VAL H H 340 7.745 8.418 -0.673 1
1 1113 . 17 1 1 A 96 96 VAL HA H 340 4.653 4.301 0.352 1
1 1121 . 17 1 1 A 96 96 VAL C C 340 175.494 175.476 0.018 1
1 1122 . 17 1 1 A 96 96 VAL CA C 340 60.722 62.876 -2.154 1
1 1123 . 17 1 1 A 96 96 VAL CB C 340 33.852 31.525 2.327 1
1 1126 . 17 1 1 A 96 96 VAL N N 340 128.328 124.590 3.738 1
1 1127 . 17 1 1 A 97 97 LEU H H 341 8.524 8.809 -0.285 1
1 1128 . 17 1 1 A 97 97 LEU HA H 341 4.243 4.603 -0.360 1
1 1138 . 17 1 1 A 97 97 LEU C C 341 176.052 176.351 -0.299 1
1 1139 . 17 1 1 A 97 97 LEU CA C 341 54.086 54.314 -0.228 1
1 1140 . 17 1 1 A 97 97 LEU CB C 341 41.446 41.009 0.437 1
1 1144 . 17 1 1 A 97 97 LEU N N 341 136.554 129.493 7.061 1
1 1145 . 17 1 1 A 98 98 ALA H H 342 8.344 8.638 -0.294 1
1 1146 . 17 1 1 A 98 98 ALA HA H 342 4.227 4.286 -0.059 1
1 1150 . 17 1 1 A 98 98 ALA C C 342 177.569 178.090 -0.521 1
1 1151 . 17 1 1 A 98 98 ALA CA C 342 51.964 52.630 -0.666 1
1 1152 . 17 1 1 A 98 98 ALA CB C 342 19.976 18.928 1.048 1
1 1153 . 17 1 1 A 98 98 ALA N N 342 134.558 128.341 6.217 1
1 1154 . 17 1 1 A 99 99 LYS H H 343 8.552 8.552 0.000 1
1 1155 . 17 1 1 A 99 99 LYS HA H 343 4.119 3.957 0.162 1
1 1164 . 17 1 1 A 99 99 LYS C C 343 175.859 176.376 -0.517 1
1 1165 . 17 1 1 A 99 99 LYS CA C 343 56.453 59.952 -3.499 1
1 1166 . 17 1 1 A 99 99 LYS CB C 343 33.257 32.128 1.129 1
1 1170 . 17 1 1 A 99 99 LYS N N 343 128.906 122.881 6.025 1
1 4 . 18 1 1 A 2 2 ALA HA H -3 4.167 4.443 -0.276 1
1 8 . 18 1 1 A 2 2 ALA C C -3 177.254 177.004 0.250 1
1 9 . 18 1 1 A 2 2 ALA CA C -3 52.427 52.242 0.185 1
1 10 . 18 1 1 A 2 2 ALA CB C -3 19.740 19.907 -0.167 1
1 11 . 18 1 1 A 3 3 MET H H -2 8.135 8.618 -0.483 1
1 12 . 18 1 1 A 3 3 MET HA H -2 4.351 4.926 -0.575 1
1 20 . 18 1 1 A 3 3 MET C C -2 176.007 174.508 1.499 1
1 21 . 18 1 1 A 3 3 MET CA C -2 55.444 53.625 1.819 1
1 22 . 18 1 1 A 3 3 MET CB C -2 34.277 36.041 -1.764 1
1 25 . 18 1 1 A 3 3 MET N N -2 125.628 115.322 10.306 1
1 43 . 18 1 1 A 6 6 PRO HA H 250 4.591 4.640 -0.049 1
1 50 . 18 1 1 A 6 6 PRO C C 250 175.444 175.616 -0.172 1
1 51 . 18 1 1 A 6 6 PRO CA C 250 61.829 62.771 -0.942 1
1 52 . 18 1 1 A 6 6 PRO CB C 250 32.464 32.283 0.181 1
1 55 . 18 1 1 A 7 7 ARG H H 251 7.588 8.442 -0.854 1
1 56 . 18 1 1 A 7 7 ARG HA H 251 4.078 4.682 -0.604 1
1 64 . 18 1 1 A 7 7 ARG C C 251 175.065 175.541 -0.476 1
1 65 . 18 1 1 A 7 7 ARG CA C 251 54.552 55.058 -0.506 1
1 66 . 18 1 1 A 7 7 ARG CB C 251 33.587 33.498 0.089 1
1 69 . 18 1 1 A 7 7 ARG N N 251 124.900 120.386 4.514 1
1 71 . 18 1 1 A 8 8 PHE H H 252 8.893 9.088 -0.195 1
1 72 . 18 1 1 A 8 8 PHE HA H 252 4.708 4.465 0.243 1
1 80 . 18 1 1 A 8 8 PHE CA C 252 59.744 56.871 2.873 1
1 81 . 18 1 1 A 8 8 PHE CB C 252 39.263 37.014 2.249 1
1 85 . 18 1 1 A 8 8 PHE N N 252 128.828 124.040 4.788 1
1 86 . 18 1 1 A 9 9 ILE H H 253 8.223 8.285 -0.062 1
1 87 . 18 1 1 A 9 9 ILE HA H 253 4.090 4.318 -0.228 1
1 97 . 18 1 1 A 9 9 ILE C C 253 175.698 175.874 -0.176 1
1 98 . 18 1 1 A 9 9 ILE CA C 253 61.230 61.071 0.159 1
1 99 . 18 1 1 A 9 9 ILE CB C 253 39.165 38.544 0.621 1
1 103 . 18 1 1 A 9 9 ILE N N 253 128.239 124.316 3.923 1
1 104 . 18 1 1 A 10 10 GLN H H 254 7.437 8.053 -0.616 1
1 105 . 18 1 1 A 10 10 GLN HA H 254 4.450 4.278 0.172 1
1 112 . 18 1 1 A 10 10 GLN C C 254 174.149 175.368 -1.219 1
1 113 . 18 1 1 A 10 10 GLN CA C 254 56.197 56.769 -0.572 1
1 114 . 18 1 1 A 10 10 GLN CB C 254 32.367 29.122 3.245 1
1 116 . 18 1 1 A 10 10 GLN N N 254 127.323 122.912 4.411 1
1 118 . 18 1 1 A 11 11 VAL H H 255 8.283 8.551 -0.268 1
1 119 . 18 1 1 A 11 11 VAL HA H 255 4.185 4.612 -0.427 1
1 127 . 18 1 1 A 11 11 VAL CA C 255 57.931 60.825 -2.894 1
1 128 . 18 1 1 A 11 11 VAL CB C 255 33.230 32.353 0.877 1
1 131 . 18 1 1 A 11 11 VAL N N 255 126.734 123.629 3.105 1
1 132 . 18 1 1 A 12 12 PRO HA H 256 4.538 4.447 0.091 1
1 139 . 18 1 1 A 12 12 PRO CA C 256 62.209 62.143 0.066 1
1 140 . 18 1 1 A 12 12 PRO CB C 256 31.724 32.161 -0.437 1
1 143 . 18 1 1 A 13 13 GLU H H 257 7.870 8.521 -0.651 1
1 144 . 18 1 1 A 13 13 GLU HA H 257 4.257 4.479 -0.222 1
1 149 . 18 1 1 A 13 13 GLU CA C 257 54.764 56.238 -1.474 1
1 150 . 18 1 1 A 13 13 GLU CB C 257 31.690 30.579 1.111 1
1 152 . 18 1 1 A 13 13 GLU N N 257 124.369 120.480 3.889 1
1 153 . 18 1 1 A 14 14 ASN H H 258 8.133 8.605 -0.472 1
1 154 . 18 1 1 A 14 14 ASN HA H 258 4.639 4.650 -0.011 1
1 159 . 18 1 1 A 14 14 ASN CA C 258 54.285 53.116 1.169 1
1 160 . 18 1 1 A 14 14 ASN CB C 258 38.023 38.854 -0.831 1
1 161 . 18 1 1 A 14 14 ASN N N 258 123.151 120.370 2.781 1
1 163 . 18 1 1 A 15 15 MET H H 259 8.295 9.022 -0.727 1
1 164 . 18 1 1 A 15 15 MET HA H 259 4.695 5.270 -0.575 1
1 172 . 18 1 1 A 15 15 MET C C 259 174.675 174.369 0.306 1
1 173 . 18 1 1 A 15 15 MET CA C 259 55.153 54.031 1.122 1
1 174 . 18 1 1 A 15 15 MET CB C 259 38.064 36.978 1.086 1
1 177 . 18 1 1 A 15 15 MET N N 259 125.442 120.348 5.094 1
1 178 . 18 1 1 A 16 16 SER H H 260 8.332 8.868 -0.536 1
1 179 . 18 1 1 A 16 16 SER HA H 260 5.261 5.510 -0.249 1
1 182 . 18 1 1 A 16 16 SER C C 260 172.889 173.242 -0.353 1
1 183 . 18 1 1 A 16 16 SER CA C 260 56.748 57.090 -0.342 1
1 184 . 18 1 1 A 16 16 SER CB C 260 64.170 65.694 -1.524 1
1 185 . 18 1 1 A 16 16 SER N N 260 125.417 113.552 11.865 1
1 186 . 18 1 1 A 17 17 ILE H H 261 8.394 8.997 -0.603 1
1 187 . 18 1 1 A 17 17 ILE HA H 261 4.366 4.582 -0.216 1
1 197 . 18 1 1 A 17 17 ILE C C 261 173.465 175.131 -1.666 1
1 198 . 18 1 1 A 17 17 ILE CA C 261 57.461 60.225 -2.764 1
1 199 . 18 1 1 A 17 17 ILE CB C 261 41.882 41.475 0.407 1
1 203 . 18 1 1 A 17 17 ILE N N 261 131.680 125.601 6.079 1
1 204 . 18 1 1 A 18 18 ASP H H 262 8.043 8.749 -0.706 1
1 205 . 18 1 1 A 18 18 ASP HA H 262 4.498 4.519 -0.021 1
1 208 . 18 1 1 A 18 18 ASP C C 262 174.970 175.866 -0.896 1
1 209 . 18 1 1 A 18 18 ASP CA C 262 54.962 54.628 0.334 1
1 210 . 18 1 1 A 18 18 ASP CB C 262 41.518 41.204 0.314 1
1 211 . 18 1 1 A 18 18 ASP N N 262 132.455 127.828 4.627 1
1 212 . 18 1 1 A 19 19 GLU H H 263 8.058 8.719 -0.661 1
1 213 . 18 1 1 A 19 19 GLU HA H 263 3.322 3.923 -0.601 1
1 218 . 18 1 1 A 19 19 GLU C C 263 176.656 177.309 -0.653 1
1 219 . 18 1 1 A 19 19 GLU CA C 263 58.351 58.318 0.033 1
1 220 . 18 1 1 A 19 19 GLU CB C 263 29.716 29.335 0.381 1
1 222 . 18 1 1 A 19 19 GLU N N 263 126.424 125.019 1.405 1
1 223 . 18 1 1 A 20 20 GLY H H 264 9.131 9.146 -0.015 1
1 224 . 18 1 1 A 20 20 GLY HA2 H 264 3.366 3.993 -0.627 1
1 225 . 18 1 1 A 20 20 GLY HA3 H 264 4.196 3.997 0.199 1
1 226 . 18 1 1 A 20 20 GLY C C 264 174.582 174.587 -0.005 1
1 227 . 18 1 1 A 20 20 GLY CA C 264 44.837 45.030 -0.193 1
1 228 . 18 1 1 A 20 20 GLY N N 264 119.124 114.999 4.125 1
1 229 . 18 1 1 A 21 21 ARG H H 265 7.192 7.391 -0.199 1
1 230 . 18 1 1 A 21 21 ARG HA H 265 4.377 4.411 -0.034 1
1 238 . 18 1 1 A 21 21 ARG C C 265 174.091 175.816 -1.725 1
1 239 . 18 1 1 A 21 21 ARG CA C 265 55.263 55.942 -0.679 1
1 240 . 18 1 1 A 21 21 ARG CB C 265 31.467 31.728 -0.261 1
1 243 . 18 1 1 A 21 21 ARG N N 265 126.182 120.389 5.793 1
1 245 . 18 1 1 A 22 22 PHE H H 266 7.699 8.844 -1.145 1
1 246 . 18 1 1 A 22 22 PHE HA H 266 4.688 4.977 -0.289 1
1 254 . 18 1 1 A 22 22 PHE C C 266 175.911 174.792 1.119 1
1 255 . 18 1 1 A 22 22 PHE CA C 266 57.132 59.167 -2.035 1
1 256 . 18 1 1 A 22 22 PHE CB C 266 41.270 40.013 1.257 1
1 260 . 18 1 1 A 22 22 PHE N N 266 127.111 122.666 4.445 1
1 261 . 18 1 1 A 23 23 CYS H H 267 8.140 8.282 -0.142 1
1 262 . 18 1 1 A 23 23 CYS HA H 267 4.282 5.010 -0.728 1
1 265 . 18 1 1 A 23 23 CYS C C 267 170.233 172.679 -2.446 1
1 266 . 18 1 1 A 23 23 CYS CA C 267 57.626 56.172 1.454 1
1 267 . 18 1 1 A 23 23 CYS CB C 267 30.411 32.263 -1.852 1
1 268 . 18 1 1 A 23 23 CYS N N 267 130.194 124.272 5.922 1
1 269 . 18 1 1 A 24 24 ARG H H 268 8.160 8.914 -0.754 1
1 270 . 18 1 1 A 24 24 ARG HA H 268 5.167 5.249 -0.082 1
1 278 . 18 1 1 A 24 24 ARG CA C 268 53.910 54.117 -0.207 1
1 279 . 18 1 1 A 24 24 ARG CB C 268 35.114 34.562 0.552 1
1 283 . 18 1 1 A 25 25 MET H H 269 8.839 8.608 0.231 1
1 284 . 18 1 1 A 25 25 MET HA H 269 4.518 5.246 -0.728 1
1 292 . 18 1 1 A 25 25 MET C C 269 174.090 174.071 0.019 1
1 293 . 18 1 1 A 25 25 MET CA C 269 54.960 53.630 1.330 1
1 294 . 18 1 1 A 25 25 MET CB C 269 35.645 37.354 -1.709 1
1 297 . 18 1 1 A 25 25 MET N N 269 127.757 118.717 9.040 1
1 298 . 18 1 1 A 26 26 ASP H H 270 8.473 8.626 -0.153 1
1 299 . 18 1 1 A 26 26 ASP HA H 270 5.772 5.398 0.374 1
1 302 . 18 1 1 A 26 26 ASP CA C 270 53.157 52.895 0.262 1
1 303 . 18 1 1 A 26 26 ASP CB C 270 43.595 43.406 0.189 1
1 304 . 18 1 1 A 26 26 ASP N N 270 129.880 119.702 10.178 1
1 305 . 18 1 1 A 27 27 PHE H H 271 9.180 9.021 0.159 1
1 306 . 18 1 1 A 27 27 PHE HA H 271 5.014 4.807 0.207 1
1 314 . 18 1 1 A 27 27 PHE CA C 271 55.904 56.067 -0.163 1
1 317 . 18 1 1 A 27 27 PHE N N 271 123.116 122.613 0.503 1
1 318 . 18 1 1 A 28 28 LYS H H 272 9.221 8.338 0.883 1
1 327 . 18 1 1 A 28 28 LYS CA C 272 59.294 56.958 2.336 1
1 328 . 18 1 1 A 28 28 LYS CB C 272 38.090 33.324 4.766 1
1 332 . 18 1 1 A 28 28 LYS N N 272 131.321 125.424 5.897 1
1 333 . 18 1 1 A 29 29 VAL H H 273 8.304 8.656 -0.352 1
1 334 . 18 1 1 A 29 29 VAL HA H 273 4.331 4.829 -0.498 1
1 342 . 18 1 1 A 29 29 VAL C C 273 175.240 173.223 2.017 1
1 343 . 18 1 1 A 29 29 VAL CA C 273 61.020 59.974 1.046 1
1 344 . 18 1 1 A 29 29 VAL CB C 273 33.889 35.365 -1.476 1
1 347 . 18 1 1 A 30 30 SER H H 274 8.545 8.613 -0.068 1
1 348 . 18 1 1 A 30 30 SER HA H 274 4.647 5.350 -0.703 1
1 351 . 18 1 1 A 30 30 SER C C 274 172.993 173.662 -0.669 1
1 352 . 18 1 1 A 30 30 SER CA C 274 56.505 57.428 -0.923 1
1 353 . 18 1 1 A 30 30 SER CB C 274 65.805 66.032 -0.227 1
1 354 . 18 1 1 A 30 30 SER N N 274 129.796 123.458 6.338 1
1 355 . 18 1 1 A 31 31 GLY H H 275 7.712 8.451 -0.739 1
1 356 . 18 1 1 A 31 31 GLY HA2 H 275 3.220 4.232 -1.012 1
1 357 . 18 1 1 A 31 31 GLY HA3 H 275 3.649 4.237 -0.588 1
1 358 . 18 1 1 A 31 31 GLY C C 275 170.984 171.871 -0.887 1
1 359 . 18 1 1 A 31 31 GLY CA C 275 45.099 45.642 -0.543 1
1 360 . 18 1 1 A 31 31 GLY N N 275 115.009 111.712 3.297 1
1 361 . 18 1 1 A 32 32 LEU H H 276 7.668 8.571 -0.903 1
1 362 . 18 1 1 A 32 32 LEU HA H 276 4.301 4.845 -0.544 1
1 372 . 18 1 1 A 32 32 LEU C C 276 173.812 174.664 -0.852 1
1 373 . 18 1 1 A 32 32 LEU CA C 276 52.370 51.548 0.822 1
1 374 . 18 1 1 A 32 32 LEU CB C 276 45.554 45.959 -0.405 1
1 378 . 18 1 1 A 32 32 LEU N N 276 129.727 121.055 8.672 1
1 379 . 18 1 1 A 33 33 PRO HA H 277 4.416 4.647 -0.231 1
1 386 . 18 1 1 A 33 33 PRO CA C 277 62.576 62.358 0.218 1
1 387 . 18 1 1 A 33 33 PRO CB C 277 35.012 32.609 2.403 1
1 390 . 18 1 1 A 34 34 ALA H H 278 8.598 8.326 0.272 1
1 391 . 18 1 1 A 34 34 ALA HA H 278 4.153 4.278 -0.125 1
1 395 . 18 1 1 A 34 34 ALA CA C 278 50.822 50.669 0.153 1
1 396 . 18 1 1 A 34 34 ALA CB C 278 17.462 19.049 -1.587 1
1 397 . 18 1 1 A 34 34 ALA N N 278 131.518 124.465 7.053 1
1 398 . 18 1 1 A 35 35 PRO HA H 279 4.206 4.583 -0.377 1
1 405 . 18 1 1 A 35 35 PRO C C 279 175.701 176.107 -0.406 1
1 406 . 18 1 1 A 35 35 PRO CA C 279 62.628 62.304 0.324 1
1 407 . 18 1 1 A 35 35 PRO CB C 279 33.069 32.219 0.850 1
1 410 . 18 1 1 A 36 36 ASP H H 280 8.621 8.668 -0.047 1
1 411 . 18 1 1 A 36 36 ASP HA H 280 4.659 4.572 0.087 1
1 414 . 18 1 1 A 36 36 ASP C C 280 176.057 175.629 0.428 1
1 415 . 18 1 1 A 36 36 ASP CA C 280 54.307 53.562 0.745 1
1 416 . 18 1 1 A 36 36 ASP CB C 280 42.741 41.712 1.029 1
1 417 . 18 1 1 A 36 36 ASP N N 280 127.555 121.731 5.824 1
1 418 . 18 1 1 A 37 37 VAL H H 281 8.635 8.352 0.283 1
1 419 . 18 1 1 A 37 37 VAL HA H 281 4.938 4.412 0.526 1
1 427 . 18 1 1 A 37 37 VAL CA C 281 61.135 61.501 -0.366 1
1 428 . 18 1 1 A 37 37 VAL CB C 281 34.579 33.935 0.644 1
1 431 . 18 1 1 A 38 38 SER H H 282 8.591 8.809 -0.218 1
1 432 . 18 1 1 A 38 38 SER HA H 282 4.518 5.061 -0.543 1
1 435 . 18 1 1 A 38 38 SER CA C 282 57.540 57.647 -0.107 1
1 436 . 18 1 1 A 38 38 SER CB C 282 66.530 64.584 1.946 1
1 437 . 18 1 1 A 38 38 SER N N 282 128.264 125.141 3.123 1
1 438 . 18 1 1 A 39 39 TRP H H 283 8.426 8.895 -0.469 1
1 439 . 18 1 1 A 39 39 TRP HA H 283 5.297 5.247 0.050 1
1 448 . 18 1 1 A 39 39 TRP CA C 283 56.298 57.303 -1.005 1
1 449 . 18 1 1 A 39 39 TRP CB C 283 33.153 31.181 1.972 1
1 455 . 18 1 1 A 39 39 TRP N N 283 127.698 128.537 -0.839 1
1 456 . 18 1 1 A 40 40 TYR H H 284 9.373 9.428 -0.055 1
1 457 . 18 1 1 A 40 40 TYR HA H 284 4.903 5.470 -0.567 1
1 464 . 18 1 1 A 40 40 TYR C C 284 174.148 174.668 -0.520 1
1 465 . 18 1 1 A 40 40 TYR CA C 284 56.849 56.257 0.592 1
1 466 . 18 1 1 A 40 40 TYR CB C 284 42.754 43.510 -0.756 1
1 469 . 18 1 1 A 40 40 TYR N N 284 125.437 120.441 4.996 1
1 470 . 18 1 1 A 41 41 LEU H H 285 8.898 9.191 -0.293 1
1 471 . 18 1 1 A 41 41 LEU HA H 285 4.255 4.616 -0.361 1
1 481 . 18 1 1 A 41 41 LEU C C 285 176.606 175.491 1.115 1
1 482 . 18 1 1 A 41 41 LEU CA C 285 53.659 53.990 -0.331 1
1 483 . 18 1 1 A 41 41 LEU CB C 285 43.740 44.733 -0.993 1
1 487 . 18 1 1 A 41 41 LEU N N 285 129.512 122.497 7.015 1
1 488 . 18 1 1 A 42 42 ASN H H 286 9.454 9.527 -0.073 1
1 489 . 18 1 1 A 42 42 ASN HA H 286 4.221 4.421 -0.200 1
1 494 . 18 1 1 A 42 42 ASN C C 286 175.692 175.352 0.340 1
1 495 . 18 1 1 A 42 42 ASN CA C 286 54.239 54.342 -0.103 1
1 496 . 18 1 1 A 42 42 ASN CB C 286 37.331 36.883 0.448 1
1 497 . 18 1 1 A 42 42 ASN N N 286 134.097 126.392 7.705 1
1 499 . 18 1 1 A 43 43 GLY H H 287 8.709 8.410 0.299 1
1 500 . 18 1 1 A 43 43 GLY HA2 H 287 3.356 4.018 -0.662 1
1 501 . 18 1 1 A 43 43 GLY HA3 H 287 3.995 4.019 -0.024 1
1 502 . 18 1 1 A 43 43 GLY C C 287 173.786 174.815 -1.029 1
1 503 . 18 1 1 A 43 43 GLY CA C 287 45.450 45.118 0.332 1
1 504 . 18 1 1 A 43 43 GLY N N 287 108.807 105.188 3.619 1
1 505 . 18 1 1 A 44 44 ARG H H 288 7.902 7.622 0.280 1
1 506 . 18 1 1 A 44 44 ARG HA H 288 4.697 4.549 0.148 1
1 514 . 18 1 1 A 44 44 ARG C C 288 175.799 176.372 -0.573 1
1 515 . 18 1 1 A 44 44 ARG CA C 288 54.658 55.576 -0.918 1
1 516 . 18 1 1 A 44 44 ARG CB C 288 32.436 31.453 0.983 1
1 519 . 18 1 1 A 44 44 ARG N N 288 127.837 120.309 7.528 1
1 521 . 18 1 1 A 45 45 THR H H 289 8.539 8.541 -0.002 1
1 522 . 18 1 1 A 45 45 THR HA H 289 3.763 4.339 -0.576 1
1 527 . 18 1 1 A 45 45 THR C C 289 174.692 173.924 0.768 1
1 528 . 18 1 1 A 45 45 THR CA C 289 63.977 61.138 2.839 1
1 529 . 18 1 1 A 45 45 THR CB C 289 69.706 69.945 -0.239 1
1 531 . 18 1 1 A 45 45 THR N N 289 126.100 113.809 12.291 1
1 532 . 18 1 1 A 46 46 VAL H H 290 8.033 8.242 -0.209 1
1 533 . 18 1 1 A 46 46 VAL HA H 290 3.647 4.808 -1.161 1
1 541 . 18 1 1 A 46 46 VAL C C 290 174.672 174.457 0.215 1
1 542 . 18 1 1 A 46 46 VAL CA C 290 62.458 60.383 2.075 1
1 543 . 18 1 1 A 46 46 VAL CB C 290 32.500 35.818 -3.318 1
1 546 . 18 1 1 A 46 46 VAL N N 290 134.795 120.799 13.996 1
1 547 . 18 1 1 A 47 47 GLN H H 291 8.124 8.792 -0.668 1
1 548 . 18 1 1 A 47 47 GLN HA H 291 4.281 4.758 -0.477 1
1 555 . 18 1 1 A 47 47 GLN C C 291 175.398 175.622 -0.224 1
1 556 . 18 1 1 A 47 47 GLN CA C 291 54.235 53.978 0.257 1
1 557 . 18 1 1 A 47 47 GLN CB C 291 30.283 31.367 -1.084 1
1 559 . 18 1 1 A 47 47 GLN N N 291 132.792 126.468 6.324 1
1 561 . 18 1 1 A 48 48 SER H H 292 8.280 8.609 -0.329 1
1 562 . 18 1 1 A 48 48 SER HA H 292 4.308 4.531 -0.223 1
1 565 . 18 1 1 A 48 48 SER C C 292 174.304 173.413 0.891 1
1 566 . 18 1 1 A 48 48 SER CA C 292 58.222 58.053 0.169 1
1 567 . 18 1 1 A 48 48 SER CB C 292 63.719 64.361 -0.642 1
1 568 . 18 1 1 A 48 48 SER N N 292 123.481 115.992 7.489 1
1 569 . 18 1 1 A 49 49 ASP H H 293 9.050 8.638 0.412 1
1 570 . 18 1 1 A 49 49 ASP HA H 293 4.482 5.049 -0.567 1
1 573 . 18 1 1 A 49 49 ASP C C 293 176.099 175.614 0.485 1
1 574 . 18 1 1 A 49 49 ASP CA C 293 53.668 52.996 0.672 1
1 575 . 18 1 1 A 49 49 ASP CB C 293 40.100 44.283 -4.183 1
1 576 . 18 1 1 A 49 49 ASP N N 293 131.157 121.414 9.743 1
1 577 . 18 1 1 A 50 50 ASP H H 294 8.324 8.890 -0.566 1
1 578 . 18 1 1 A 50 50 ASP HA H 294 4.167 4.257 -0.090 1
1 581 . 18 1 1 A 50 50 ASP C C 294 176.520 177.602 -1.082 1
1 582 . 18 1 1 A 50 50 ASP CA C 294 57.367 57.559 -0.192 1
1 583 . 18 1 1 A 50 50 ASP CB C 294 40.226 40.534 -0.308 1
1 584 . 18 1 1 A 50 50 ASP N N 294 122.206 124.801 -2.595 1
1 585 . 18 1 1 A 51 51 LEU H H 295 7.749 7.735 0.014 1
1 586 . 18 1 1 A 51 51 LEU HA H 295 4.281 4.080 0.201 1
1 596 . 18 1 1 A 51 51 LEU C C 295 175.716 176.473 -0.757 1
1 597 . 18 1 1 A 51 51 LEU CA C 295 54.407 55.724 -1.317 1
1 598 . 18 1 1 A 51 51 LEU CB C 295 43.849 42.244 1.605 1
1 602 . 18 1 1 A 51 51 LEU N N 295 121.836 118.058 3.778 1
1 603 . 18 1 1 A 52 52 HIS H H 296 7.548 7.506 0.042 1
1 604 . 18 1 1 A 52 52 HIS HA H 296 5.091 4.836 0.255 1
1 609 . 18 1 1 A 52 52 HIS C C 296 172.683 173.849 -1.166 1
1 610 . 18 1 1 A 52 52 HIS CA C 296 54.900 53.811 1.089 1
1 611 . 18 1 1 A 52 52 HIS CB C 296 28.894 29.192 -0.298 1
1 614 . 18 1 1 A 52 52 HIS N N 296 126.326 115.890 10.436 1
1 615 . 18 1 1 A 53 53 LYS H H 297 8.515 8.505 0.010 1
1 616 . 18 1 1 A 53 53 LYS HA H 297 4.608 4.189 0.419 1
1 625 . 18 1 1 A 53 53 LYS C C 297 174.797 175.935 -1.138 1
1 626 . 18 1 1 A 53 53 LYS CA C 297 54.303 56.944 -2.641 1
1 627 . 18 1 1 A 53 53 LYS CB C 297 35.705 33.121 2.584 1
1 631 . 18 1 1 A 53 53 LYS N N 297 127.067 122.786 4.281 1
1 632 . 18 1 1 A 54 54 MET H H 298 8.379 8.890 -0.511 1
1 633 . 18 1 1 A 54 54 MET HA H 298 5.091 5.305 -0.214 1
1 641 . 18 1 1 A 54 54 MET CA C 298 55.427 54.427 1.000 1
1 642 . 18 1 1 A 54 54 MET CB C 298 34.100 35.131 -1.031 1
1 645 . 18 1 1 A 54 54 MET N N 298 128.992 121.585 7.407 1
1 646 . 18 1 1 A 55 55 ILE H H 299 8.279 8.552 -0.273 1
1 647 . 18 1 1 A 55 55 ILE HA H 299 4.602 5.263 -0.661 1
1 657 . 18 1 1 A 55 55 ILE CA C 299 59.130 59.153 -0.023 1
1 658 . 18 1 1 A 55 55 ILE CB C 299 42.747 42.339 0.408 1
1 662 . 18 1 1 A 56 56 VAL H H 300 9.227 8.731 0.496 1
1 663 . 18 1 1 A 56 56 VAL HA H 300 4.912 4.687 0.225 1
1 671 . 18 1 1 A 56 56 VAL CA C 300 59.226 61.368 -2.142 1
1 672 . 18 1 1 A 56 56 VAL CB C 300 36.406 34.596 1.810 1
1 675 . 18 1 1 A 57 57 SER H H 301 8.794 9.095 -0.301 1
1 676 . 18 1 1 A 57 57 SER HA H 301 4.575 4.539 0.036 1
1 679 . 18 1 1 A 57 57 SER CA C 301 56.558 58.634 -2.076 1
1 680 . 18 1 1 A 57 57 SER CB C 301 65.617 63.410 2.207 1
1 681 . 18 1 1 A 57 57 SER N N 301 128.893 122.532 6.361 1
1 682 . 18 1 1 A 58 58 GLU HA H 302 4.013 4.073 -0.060 1
1 687 . 18 1 1 A 58 58 GLU CA C 302 58.165 58.908 -0.743 1
1 688 . 18 1 1 A 58 58 GLU CB C 302 29.508 29.168 0.340 1
1 690 . 18 1 1 A 59 59 LYS HA H 303 4.114 4.328 -0.214 1
1 699 . 18 1 1 A 59 59 LYS C C 303 176.755 176.845 -0.090 1
1 700 . 18 1 1 A 59 59 LYS CA C 303 55.913 55.873 0.040 1
1 701 . 18 1 1 A 59 59 LYS CB C 303 31.679 32.913 -1.234 1
1 705 . 18 1 1 A 60 60 GLY H H 304 7.813 8.439 -0.626 1
1 706 . 18 1 1 A 60 60 GLY HA2 H 304 4.037 3.979 0.058 1
1 707 . 18 1 1 A 60 60 GLY HA3 H 304 3.411 3.981 -0.570 1
1 708 . 18 1 1 A 60 60 GLY C C 304 173.480 173.780 -0.300 1
1 709 . 18 1 1 A 60 60 GLY CA C 304 45.955 46.536 -0.581 1
1 710 . 18 1 1 A 60 60 GLY N N 304 113.597 108.032 5.565 1
1 711 . 18 1 1 A 61 61 LEU H H 305 7.253 7.738 -0.485 1
1 712 . 18 1 1 A 61 61 LEU HA H 305 4.396 5.076 -0.680 1
1 722 . 18 1 1 A 61 61 LEU CA C 305 54.825 54.569 0.256 1
1 723 . 18 1 1 A 61 61 LEU CB C 305 43.099 45.652 -2.553 1
1 727 . 18 1 1 A 61 61 LEU N N 305 128.081 120.285 7.796 1
1 728 . 18 1 1 A 62 62 HIS H H 306 8.294 8.907 -0.613 1
1 733 . 18 1 1 A 62 62 HIS N N 306 130.344 124.127 6.217 1
1 734 . 18 1 1 A 63 63 SER HA H 307 5.980 5.222 0.758 1
1 737 . 18 1 1 A 63 63 SER CA C 307 57.517 57.553 -0.036 1
1 738 . 18 1 1 A 63 63 SER CB C 307 66.760 66.468 0.292 1
1 739 . 18 1 1 A 64 64 LEU H H 308 8.827 8.699 0.128 1
1 740 . 18 1 1 A 64 64 LEU HA H 308 4.657 4.531 0.126 1
1 750 . 18 1 1 A 64 64 LEU C C 308 174.337 175.149 -0.812 1
1 751 . 18 1 1 A 64 64 LEU CA C 308 54.386 53.643 0.743 1
1 752 . 18 1 1 A 64 64 LEU CB C 308 42.678 44.222 -1.544 1
1 756 . 18 1 1 A 65 65 ILE H H 309 9.009 8.887 0.122 1
1 757 . 18 1 1 A 65 65 ILE HA H 309 3.880 4.208 -0.328 1
1 767 . 18 1 1 A 65 65 ILE C C 309 173.963 174.902 -0.939 1
1 768 . 18 1 1 A 65 65 ILE CA C 309 60.296 60.698 -0.402 1
1 769 . 18 1 1 A 65 65 ILE CB C 309 40.727 38.139 2.588 1
1 773 . 18 1 1 A 65 65 ILE N N 309 133.046 127.947 5.099 1
1 774 . 18 1 1 A 66 66 PHE H H 310 8.508 8.748 -0.240 1
1 775 . 18 1 1 A 66 66 PHE HA H 310 4.367 4.837 -0.470 1
1 783 . 18 1 1 A 66 66 PHE C C 310 174.555 175.630 -1.075 1
1 784 . 18 1 1 A 66 66 PHE CA C 310 54.878 56.012 -1.134 1
1 785 . 18 1 1 A 66 66 PHE CB C 310 38.819 40.022 -1.203 1
1 789 . 18 1 1 A 66 66 PHE N N 310 132.294 124.578 7.716 1
1 790 . 18 1 1 A 67 67 GLU H H 311 7.879 8.798 -0.919 1
1 791 . 18 1 1 A 67 67 GLU HA H 311 4.025 4.416 -0.391 1
1 796 . 18 1 1 A 67 67 GLU C C 311 177.819 177.130 0.689 1
1 797 . 18 1 1 A 67 67 GLU CA C 311 59.266 59.249 0.017 1
1 798 . 18 1 1 A 67 67 GLU CB C 311 30.421 30.481 -0.060 1
1 800 . 18 1 1 A 67 67 GLU N N 311 127.092 124.058 3.034 1
1 801 . 18 1 1 A 68 68 VAL H H 312 7.428 7.611 -0.183 1
1 802 . 18 1 1 A 68 68 VAL HA H 312 3.402 4.459 -1.057 1
1 810 . 18 1 1 A 68 68 VAL C C 312 173.921 174.260 -0.339 1
1 811 . 18 1 1 A 68 68 VAL CA C 312 61.444 61.123 0.321 1
1 812 . 18 1 1 A 68 68 VAL CB C 312 34.790 32.419 2.371 1
1 815 . 18 1 1 A 68 68 VAL N N 312 120.315 116.921 3.394 1
1 816 . 18 1 1 A 69 69 VAL H H 313 8.233 8.782 -0.549 1
1 817 . 18 1 1 A 69 69 VAL HA H 313 3.829 4.280 -0.451 1
1 825 . 18 1 1 A 69 69 VAL C C 313 175.123 175.139 -0.016 1
1 826 . 18 1 1 A 69 69 VAL CA C 313 63.200 62.856 0.344 1
1 827 . 18 1 1 A 69 69 VAL CB C 313 32.836 32.602 0.234 1
1 830 . 18 1 1 A 69 69 VAL N N 313 132.928 129.027 3.901 1
1 831 . 18 1 1 A 70 70 ARG H H 314 9.259 8.979 0.280 1
1 832 . 18 1 1 A 70 70 ARG HA H 314 4.776 4.734 0.042 1
1 839 . 18 1 1 A 70 70 ARG C C 314 177.491 176.607 0.884 1
1 840 . 18 1 1 A 70 70 ARG CA C 314 53.728 53.986 -0.258 1
1 841 . 18 1 1 A 70 70 ARG CB C 314 34.282 33.065 1.217 1
1 844 . 18 1 1 A 70 70 ARG N N 314 133.209 127.802 5.407 1
1 845 . 18 1 1 A 71 71 ALA H H 315 9.059 8.662 0.397 1
1 846 . 18 1 1 A 71 71 ALA HA H 315 3.676 4.002 -0.326 1
1 850 . 18 1 1 A 71 71 ALA C C 315 180.122 179.638 0.484 1
1 851 . 18 1 1 A 71 71 ALA CA C 315 56.356 55.179 1.177 1
1 852 . 18 1 1 A 71 71 ALA CB C 315 17.923 18.413 -0.490 1
1 853 . 18 1 1 A 71 71 ALA N N 315 131.839 124.432 7.407 1
1 854 . 18 1 1 A 72 72 SER H H 316 7.735 7.952 -0.217 1
1 855 . 18 1 1 A 72 72 SER HA H 316 4.046 4.250 -0.204 1
1 858 . 18 1 1 A 72 72 SER C C 316 175.495 174.698 0.797 1
1 859 . 18 1 1 A 72 72 SER CA C 316 60.037 61.292 -1.255 1
1 860 . 18 1 1 A 72 72 SER CB C 316 62.381 63.168 -0.787 1
1 861 . 18 1 1 A 72 72 SER N N 316 115.841 113.753 2.088 1
1 862 . 18 1 1 A 73 73 ASP H H 317 8.175 7.980 0.195 1
1 863 . 18 1 1 A 73 73 ASP HA H 317 4.644 4.746 -0.102 1
1 866 . 18 1 1 A 73 73 ASP C C 317 176.176 176.251 -0.075 1
1 867 . 18 1 1 A 73 73 ASP CA C 317 55.305 55.029 0.276 1
1 868 . 18 1 1 A 73 73 ASP CB C 317 42.572 41.399 1.173 1
1 869 . 18 1 1 A 73 73 ASP N N 317 126.327 119.287 7.040 1
1 870 . 18 1 1 A 74 74 ALA H H 318 7.339 6.936 0.403 1
1 871 . 18 1 1 A 74 74 ALA HA H 318 4.013 4.280 -0.267 1
1 875 . 18 1 1 A 74 74 ALA C C 318 176.813 177.190 -0.377 1
1 876 . 18 1 1 A 74 74 ALA CA C 318 53.570 53.065 0.505 1
1 877 . 18 1 1 A 74 74 ALA CB C 318 20.548 20.289 0.259 1
1 878 . 18 1 1 A 74 74 ALA N N 318 127.859 121.843 6.016 1
1 879 . 18 1 1 A 75 75 GLY H H 319 8.797 8.744 0.053 1
1 880 . 18 1 1 A 75 75 GLY HA2 H 319 3.599 4.075 -0.476 1
1 881 . 18 1 1 A 75 75 GLY HA3 H 319 4.239 4.140 0.099 1
1 882 . 18 1 1 A 75 75 GLY C C 319 170.102 171.944 -1.842 1
1 883 . 18 1 1 A 75 75 GLY CA C 319 45.105 44.278 0.827 1
1 884 . 18 1 1 A 75 75 GLY N N 319 114.261 107.133 7.128 1
1 885 . 18 1 1 A 76 76 ALA H H 320 7.621 8.149 -0.528 1
1 886 . 18 1 1 A 76 76 ALA HA H 320 4.521 4.803 -0.282 1
1 890 . 18 1 1 A 76 76 ALA C C 320 176.291 176.469 -0.178 1
1 891 . 18 1 1 A 76 76 ALA CA C 320 51.158 51.515 -0.357 1
1 892 . 18 1 1 A 76 76 ALA CB C 320 19.242 19.405 -0.163 1
1 893 . 18 1 1 A 76 76 ALA N N 320 129.042 122.950 6.092 1
1 894 . 18 1 1 A 77 77 TYR H H 321 9.406 8.858 0.548 1
1 895 . 18 1 1 A 77 77 TYR HA H 321 5.237 5.211 0.026 1
1 903 . 18 1 1 A 77 77 TYR C C 321 175.676 176.028 -0.352 1
1 904 . 18 1 1 A 77 77 TYR CA C 321 57.779 58.055 -0.276 1
1 905 . 18 1 1 A 77 77 TYR CB C 321 40.623 40.028 0.595 1
1 908 . 18 1 1 A 77 77 TYR N N 321 132.635 124.315 8.320 1
1 909 . 18 1 1 A 78 78 ALA H H 322 9.084 9.052 0.032 1
1 910 . 18 1 1 A 78 78 ALA HA H 322 5.031 5.465 -0.434 1
1 914 . 18 1 1 A 78 78 ALA CA C 322 50.120 51.402 -1.282 1
1 915 . 18 1 1 A 78 78 ALA CB C 322 21.653 24.311 -2.658 1
1 916 . 18 1 1 A 78 78 ALA N N 322 130.291 122.296 7.995 1
1 917 . 18 1 1 A 79 79 CYS H H 323 7.932 8.982 -1.050 1
1 918 . 18 1 1 A 79 79 CYS HA H 323 4.037 4.961 -0.924 1
1 919 . 18 1 1 A 79 79 CYS C C 323 173.727 173.149 0.578 1
1 920 . 18 1 1 A 79 79 CYS CA C 323 56.345 57.273 -0.928 1
1 921 . 18 1 1 A 80 80 VAL H H 324 8.671 9.102 -0.431 1
1 922 . 18 1 1 A 80 80 VAL HA H 324 4.596 4.434 0.162 1
1 930 . 18 1 1 A 80 80 VAL C C 324 174.904 175.214 -0.310 1
1 931 . 18 1 1 A 80 80 VAL CA C 324 60.907 61.610 -0.703 1
1 932 . 18 1 1 A 80 80 VAL CB C 324 34.334 32.283 2.051 1
1 934 . 18 1 1 A 80 80 VAL N N 324 135.079 126.889 8.190 1
1 935 . 18 1 1 A 81 81 ALA H H 325 9.107 8.909 0.198 1
1 936 . 18 1 1 A 81 81 ALA HA H 325 5.220 5.222 -0.002 1
1 940 . 18 1 1 A 81 81 ALA C C 325 175.446 175.910 -0.464 1
1 941 . 18 1 1 A 81 81 ALA CA C 325 49.197 50.366 -1.169 1
1 942 . 18 1 1 A 81 81 ALA CB C 325 22.479 21.671 0.808 1
1 943 . 18 1 1 A 81 81 ALA N N 325 136.369 129.118 7.251 1
1 944 . 18 1 1 A 82 82 LYS H H 326 8.734 8.884 -0.150 1
1 945 . 18 1 1 A 82 82 LYS HA H 326 5.021 5.237 -0.216 1
1 954 . 18 1 1 A 82 82 LYS C C 326 175.054 175.193 -0.139 1
1 955 . 18 1 1 A 82 82 LYS CA C 326 55.451 54.628 0.823 1
1 956 . 18 1 1 A 82 82 LYS CB C 326 37.852 36.225 1.627 1
1 960 . 18 1 1 A 82 82 LYS N N 326 128.038 122.825 5.213 1
1 961 . 18 1 1 A 83 83 ASN H H 327 8.949 8.703 0.246 1
1 962 . 18 1 1 A 83 83 ASN HA H 327 4.624 5.096 -0.472 1
1 967 . 18 1 1 A 83 83 ASN C C 327 176.409 175.559 0.850 1
1 968 . 18 1 1 A 83 83 ASN CA C 327 51.838 51.387 0.451 1
1 969 . 18 1 1 A 83 83 ASN CB C 327 40.927 39.690 1.237 1
1 970 . 18 1 1 A 83 83 ASN N N 327 128.769 121.634 7.135 1
1 972 . 18 1 1 A 84 84 ARG H H 328 8.203 9.120 -0.917 1
1 973 . 18 1 1 A 84 84 ARG HA H 328 3.917 4.081 -0.164 1
1 981 . 18 1 1 A 84 84 ARG C C 328 175.820 176.121 -0.301 1
1 982 . 18 1 1 A 84 84 ARG CA C 328 58.250 58.318 -0.068 1
1 983 . 18 1 1 A 84 84 ARG CB C 328 29.985 29.678 0.307 1
1 986 . 18 1 1 A 84 84 ARG N N 328 121.021 117.814 3.207 1
1 988 . 18 1 1 A 85 85 ALA H H 329 7.599 8.116 -0.517 1
1 989 . 18 1 1 A 85 85 ALA HA H 329 4.279 4.480 -0.201 1
1 993 . 18 1 1 A 85 85 ALA C C 329 177.261 177.120 0.141 1
1 994 . 18 1 1 A 85 85 ALA CA C 329 51.905 51.997 -0.092 1
1 995 . 18 1 1 A 85 85 ALA CB C 329 19.637 20.460 -0.823 1
1 996 . 18 1 1 A 85 85 ALA N N 329 125.074 121.688 3.386 1
1 997 . 18 1 1 A 86 86 GLY H H 330 7.624 7.147 0.477 1
1 998 . 18 1 1 A 86 86 GLY HA2 H 330 3.806 4.067 -0.261 1
1 999 . 18 1 1 A 86 86 GLY HA3 H 330 4.164 4.069 0.095 1
1 1000 . 18 1 1 A 86 86 GLY C C 330 169.646 170.897 -1.251 1
1 1001 . 18 1 1 A 86 86 GLY CA C 330 46.012 46.026 -0.014 1
1 1002 . 18 1 1 A 86 86 GLY N N 330 112.891 103.151 9.740 1
1 1003 . 18 1 1 A 87 87 GLU H H 331 8.213 8.504 -0.291 1
1 1004 . 18 1 1 A 87 87 GLU HA H 331 5.274 5.284 -0.010 1
1 1009 . 18 1 1 A 87 87 GLU C C 331 174.418 174.668 -0.250 1
1 1010 . 18 1 1 A 87 87 GLU CA C 331 54.349 54.878 -0.529 1
1 1011 . 18 1 1 A 87 87 GLU CB C 331 34.615 33.534 1.081 1
1 1013 . 18 1 1 A 87 87 GLU N N 331 123.208 120.136 3.072 1
1 1014 . 18 1 1 A 88 88 ALA H H 332 8.897 8.862 0.035 1
1 1015 . 18 1 1 A 88 88 ALA HA H 332 4.569 4.345 0.224 1
1 1019 . 18 1 1 A 88 88 ALA C C 332 175.121 174.864 0.257 1
1 1020 . 18 1 1 A 88 88 ALA CA C 332 51.592 50.006 1.586 1
1 1021 . 18 1 1 A 88 88 ALA CB C 332 23.324 23.324 0.000 1
1 1022 . 18 1 1 A 88 88 ALA N N 332 131.757 126.051 5.706 1
1 1023 . 18 1 1 A 89 89 THR H H 333 8.521 7.230 1.291 1
1 1024 . 18 1 1 A 89 89 THR HA H 333 5.661 4.873 0.788 1
1 1029 . 18 1 1 A 89 89 THR C C 333 173.827 173.032 0.795 1
1 1030 . 18 1 1 A 89 89 THR CA C 333 60.601 60.747 -0.146 1
1 1031 . 18 1 1 A 89 89 THR CB C 333 72.140 72.250 -0.110 1
1 1033 . 18 1 1 A 89 89 THR N N 333 121.100 113.697 7.403 1
1 1034 . 18 1 1 A 90 90 PHE H H 334 8.603 8.992 -0.389 1
1 1035 . 18 1 1 A 90 90 PHE HA H 334 4.624 5.415 -0.791 1
1 1043 . 18 1 1 A 90 90 PHE CA C 334 56.618 56.142 0.476 1
1 1044 . 18 1 1 A 90 90 PHE CB C 334 42.489 43.747 -1.258 1
1 1048 . 18 1 1 A 91 91 THR H H 335 8.174 9.057 -0.883 1
1 1049 . 18 1 1 A 91 91 THR HA H 335 5.445 5.226 0.219 1
1 1054 . 18 1 1 A 91 91 THR CA C 335 60.110 61.522 -1.412 1
1 1055 . 18 1 1 A 91 91 THR CB C 335 71.671 72.343 -0.672 1
1 1057 . 18 1 1 A 92 92 VAL H H 336 9.158 8.977 0.181 1
1 1058 . 18 1 1 A 92 92 VAL HA H 336 4.432 4.957 -0.525 1
1 1066 . 18 1 1 A 92 92 VAL C C 336 171.594 173.335 -1.741 1
1 1067 . 18 1 1 A 92 92 VAL CA C 336 60.914 60.122 0.792 1
1 1068 . 18 1 1 A 92 92 VAL CB C 336 35.760 35.947 -0.187 1
1 1071 . 18 1 1 A 92 92 VAL N N 336 130.220 122.158 8.062 1
1 1072 . 18 1 1 A 93 93 GLN H H 337 8.302 8.532 -0.230 1
1 1073 . 18 1 1 A 93 93 GLN HA H 337 4.756 5.342 -0.586 1
1 1080 . 18 1 1 A 93 93 GLN C C 337 174.009 173.318 0.691 1
1 1081 . 18 1 1 A 93 93 GLN CA C 337 54.672 54.315 0.357 1
1 1082 . 18 1 1 A 93 93 GLN CB C 337 30.071 32.553 -2.482 1
1 1084 . 18 1 1 A 93 93 GLN N N 337 133.412 125.826 7.586 1
1 1086 . 18 1 1 A 94 94 LEU H H 338 8.812 9.255 -0.443 1
1 1087 . 18 1 1 A 94 94 LEU HA H 338 4.836 4.935 -0.099 1
1 1097 . 18 1 1 A 94 94 LEU C C 338 175.099 174.455 0.644 1
1 1098 . 18 1 1 A 94 94 LEU CA C 338 53.725 53.805 -0.080 1
1 1099 . 18 1 1 A 94 94 LEU CB C 338 44.955 45.347 -0.392 1
1 1103 . 18 1 1 A 94 94 LEU N N 338 133.816 127.665 6.151 1
1 1104 . 18 1 1 A 95 95 ASP H H 339 8.747 9.276 -0.529 1
1 1105 . 18 1 1 A 95 95 ASP HA H 339 4.871 4.843 0.028 1
1 1108 . 18 1 1 A 95 95 ASP C C 339 174.295 174.715 -0.420 1
1 1109 . 18 1 1 A 95 95 ASP CA C 339 53.311 52.883 0.428 1
1 1110 . 18 1 1 A 95 95 ASP CB C 339 42.895 40.617 2.278 1
1 1111 . 18 1 1 A 95 95 ASP N N 339 134.770 128.663 6.107 1
1 1112 . 18 1 1 A 96 96 VAL H H 340 7.745 8.015 -0.270 1
1 1113 . 18 1 1 A 96 96 VAL HA H 340 4.653 4.021 0.632 1
1 1121 . 18 1 1 A 96 96 VAL C C 340 175.494 175.501 -0.007 1
1 1122 . 18 1 1 A 96 96 VAL CA C 340 60.722 63.040 -2.318 1
1 1123 . 18 1 1 A 96 96 VAL CB C 340 33.852 31.651 2.201 1
1 1126 . 18 1 1 A 96 96 VAL N N 340 128.328 125.215 3.113 1
1 1127 . 18 1 1 A 97 97 LEU H H 341 8.524 8.980 -0.456 1
1 1128 . 18 1 1 A 97 97 LEU HA H 341 4.243 4.592 -0.349 1
1 1138 . 18 1 1 A 97 97 LEU C C 341 176.052 176.365 -0.313 1
1 1139 . 18 1 1 A 97 97 LEU CA C 341 54.086 54.382 -0.296 1
1 1140 . 18 1 1 A 97 97 LEU CB C 341 41.446 40.734 0.712 1
1 1144 . 18 1 1 A 97 97 LEU N N 341 136.554 129.589 6.965 1
1 1145 . 18 1 1 A 98 98 ALA H H 342 8.344 8.606 -0.262 1
1 1146 . 18 1 1 A 98 98 ALA HA H 342 4.227 4.326 -0.099 1
1 1150 . 18 1 1 A 98 98 ALA C C 342 177.569 178.202 -0.633 1
1 1151 . 18 1 1 A 98 98 ALA CA C 342 51.964 52.635 -0.671 1
1 1152 . 18 1 1 A 98 98 ALA CB C 342 19.976 19.453 0.523 1
1 1153 . 18 1 1 A 98 98 ALA N N 342 134.558 128.020 6.538 1
1 1154 . 18 1 1 A 99 99 LYS H H 343 8.552 8.786 -0.234 1
1 1155 . 18 1 1 A 99 99 LYS HA H 343 4.119 4.662 -0.543 1
1 1164 . 18 1 1 A 99 99 LYS C C 343 175.859 176.853 -0.994 1
1 1165 . 18 1 1 A 99 99 LYS CA C 343 56.453 56.502 -0.049 1
1 1166 . 18 1 1 A 99 99 LYS CB C 343 33.257 34.702 -1.445 1
1 1170 . 18 1 1 A 99 99 LYS N N 343 128.906 118.622 10.284 1
1 4 . 19 1 1 A 2 2 ALA HA H -3 4.167 4.377 -0.210 1
1 8 . 19 1 1 A 2 2 ALA C C -3 177.254 177.086 0.168 1
1 9 . 19 1 1 A 2 2 ALA CA C -3 52.427 52.378 0.049 1
1 10 . 19 1 1 A 2 2 ALA CB C -3 19.740 19.783 -0.043 1
1 11 . 19 1 1 A 3 3 MET H H -2 8.135 8.651 -0.516 1
1 12 . 19 1 1 A 3 3 MET HA H -2 4.351 4.963 -0.612 1
1 20 . 19 1 1 A 3 3 MET C C -2 176.007 174.511 1.496 1
1 21 . 19 1 1 A 3 3 MET CA C -2 55.444 53.548 1.896 1
1 22 . 19 1 1 A 3 3 MET CB C -2 34.277 35.969 -1.692 1
1 25 . 19 1 1 A 3 3 MET N N -2 125.628 116.459 9.169 1
1 43 . 19 1 1 A 6 6 PRO HA H 250 4.591 4.586 0.005 1
1 50 . 19 1 1 A 6 6 PRO C C 250 175.444 175.446 -0.002 1
1 51 . 19 1 1 A 6 6 PRO CA C 250 61.829 62.703 -0.874 1
1 52 . 19 1 1 A 6 6 PRO CB C 250 32.464 33.100 -0.636 1
1 55 . 19 1 1 A 7 7 ARG H H 251 7.588 8.917 -1.329 1
1 56 . 19 1 1 A 7 7 ARG HA H 251 4.078 4.836 -0.758 1
1 64 . 19 1 1 A 7 7 ARG C C 251 175.065 174.479 0.586 1
1 65 . 19 1 1 A 7 7 ARG CA C 251 54.552 55.145 -0.593 1
1 66 . 19 1 1 A 7 7 ARG CB C 251 33.587 34.081 -0.494 1
1 69 . 19 1 1 A 7 7 ARG N N 251 124.900 121.375 3.525 1
1 71 . 19 1 1 A 8 8 PHE H H 252 8.893 8.948 -0.055 1
1 72 . 19 1 1 A 8 8 PHE HA H 252 4.708 4.796 -0.088 1
1 80 . 19 1 1 A 8 8 PHE CA C 252 59.744 57.462 2.282 1
1 81 . 19 1 1 A 8 8 PHE CB C 252 39.263 37.491 1.772 1
1 85 . 19 1 1 A 8 8 PHE N N 252 128.828 124.495 4.333 1
1 86 . 19 1 1 A 9 9 ILE H H 253 8.223 8.426 -0.203 1
1 87 . 19 1 1 A 9 9 ILE HA H 253 4.090 4.088 0.002 1
1 97 . 19 1 1 A 9 9 ILE C C 253 175.698 176.090 -0.392 1
1 98 . 19 1 1 A 9 9 ILE CA C 253 61.230 63.413 -2.183 1
1 99 . 19 1 1 A 9 9 ILE CB C 253 39.165 38.433 0.732 1
1 103 . 19 1 1 A 9 9 ILE N N 253 128.239 126.848 1.391 1
1 104 . 19 1 1 A 10 10 GLN H H 254 7.437 7.562 -0.125 1
1 105 . 19 1 1 A 10 10 GLN HA H 254 4.450 4.708 -0.258 1
1 112 . 19 1 1 A 10 10 GLN C C 254 174.149 173.972 0.177 1
1 113 . 19 1 1 A 10 10 GLN CA C 254 56.197 55.524 0.673 1
1 114 . 19 1 1 A 10 10 GLN CB C 254 32.367 32.440 -0.073 1
1 116 . 19 1 1 A 10 10 GLN N N 254 127.323 116.214 11.109 1
1 118 . 19 1 1 A 11 11 VAL H H 255 8.283 8.707 -0.424 1
1 119 . 19 1 1 A 11 11 VAL HA H 255 4.185 4.496 -0.311 1
1 127 . 19 1 1 A 11 11 VAL CA C 255 57.931 57.672 0.259 1
1 128 . 19 1 1 A 11 11 VAL CB C 255 33.230 34.095 -0.865 1
1 131 . 19 1 1 A 11 11 VAL N N 255 126.734 118.715 8.019 1
1 132 . 19 1 1 A 12 12 PRO HA H 256 4.538 4.395 0.143 1
1 139 . 19 1 1 A 12 12 PRO CA C 256 62.209 62.236 -0.027 1
1 140 . 19 1 1 A 12 12 PRO CB C 256 31.724 32.023 -0.299 1
1 143 . 19 1 1 A 13 13 GLU H H 257 7.870 8.511 -0.641 1
1 144 . 19 1 1 A 13 13 GLU HA H 257 4.257 4.524 -0.267 1
1 149 . 19 1 1 A 13 13 GLU CA C 257 54.764 56.113 -1.349 1
1 150 . 19 1 1 A 13 13 GLU CB C 257 31.690 30.819 0.871 1
1 152 . 19 1 1 A 13 13 GLU N N 257 124.369 121.050 3.319 1
1 153 . 19 1 1 A 14 14 ASN H H 258 8.133 8.636 -0.503 1
1 154 . 19 1 1 A 14 14 ASN HA H 258 4.639 4.762 -0.123 1
1 159 . 19 1 1 A 14 14 ASN CA C 258 54.285 53.385 0.900 1
1 160 . 19 1 1 A 14 14 ASN CB C 258 38.023 38.849 -0.826 1
1 161 . 19 1 1 A 14 14 ASN N N 258 123.151 120.516 2.635 1
1 163 . 19 1 1 A 15 15 MET H H 259 8.295 9.052 -0.757 1
1 164 . 19 1 1 A 15 15 MET HA H 259 4.695 5.328 -0.633 1
1 172 . 19 1 1 A 15 15 MET C C 259 174.675 174.177 0.498 1
1 173 . 19 1 1 A 15 15 MET CA C 259 55.153 53.829 1.324 1
1 174 . 19 1 1 A 15 15 MET CB C 259 38.064 37.455 0.609 1
1 177 . 19 1 1 A 15 15 MET N N 259 125.442 120.200 5.242 1
1 178 . 19 1 1 A 16 16 SER H H 260 8.332 8.810 -0.478 1
1 179 . 19 1 1 A 16 16 SER HA H 260 5.261 5.550 -0.289 1
1 182 . 19 1 1 A 16 16 SER C C 260 172.889 173.479 -0.590 1
1 183 . 19 1 1 A 16 16 SER CA C 260 56.748 56.956 -0.208 1
1 184 . 19 1 1 A 16 16 SER CB C 260 64.170 65.871 -1.701 1
1 185 . 19 1 1 A 16 16 SER N N 260 125.417 113.258 12.159 1
1 186 . 19 1 1 A 17 17 ILE H H 261 8.394 9.005 -0.611 1
1 187 . 19 1 1 A 17 17 ILE HA H 261 4.366 4.583 -0.217 1
1 197 . 19 1 1 A 17 17 ILE C C 261 173.465 174.864 -1.399 1
1 198 . 19 1 1 A 17 17 ILE CA C 261 57.461 60.166 -2.705 1
1 199 . 19 1 1 A 17 17 ILE CB C 261 41.882 41.839 0.043 1
1 203 . 19 1 1 A 17 17 ILE N N 261 131.680 124.435 7.245 1
1 204 . 19 1 1 A 18 18 ASP H H 262 8.043 8.743 -0.700 1
1 205 . 19 1 1 A 18 18 ASP HA H 262 4.498 4.527 -0.029 1
1 208 . 19 1 1 A 18 18 ASP C C 262 174.970 175.922 -0.952 1
1 209 . 19 1 1 A 18 18 ASP CA C 262 54.962 54.714 0.248 1
1 210 . 19 1 1 A 18 18 ASP CB C 262 41.518 41.032 0.486 1
1 211 . 19 1 1 A 18 18 ASP N N 262 132.455 127.712 4.743 1
1 212 . 19 1 1 A 19 19 GLU H H 263 8.058 8.733 -0.675 1
1 213 . 19 1 1 A 19 19 GLU HA H 263 3.322 3.930 -0.608 1
1 218 . 19 1 1 A 19 19 GLU C C 263 176.656 177.355 -0.699 1
1 219 . 19 1 1 A 19 19 GLU CA C 263 58.351 58.312 0.039 1
1 220 . 19 1 1 A 19 19 GLU CB C 263 29.716 29.341 0.375 1
1 222 . 19 1 1 A 19 19 GLU N N 263 126.424 124.748 1.676 1
1 223 . 19 1 1 A 20 20 GLY H H 264 9.131 9.135 -0.004 1
1 224 . 19 1 1 A 20 20 GLY HA2 H 264 3.366 3.986 -0.620 1
1 225 . 19 1 1 A 20 20 GLY HA3 H 264 4.196 3.989 0.207 1
1 226 . 19 1 1 A 20 20 GLY C C 264 174.582 174.468 0.114 1
1 227 . 19 1 1 A 20 20 GLY CA C 264 44.837 44.923 -0.086 1
1 228 . 19 1 1 A 20 20 GLY N N 264 119.124 115.059 4.065 1
1 229 . 19 1 1 A 21 21 ARG H H 265 7.192 7.350 -0.158 1
1 230 . 19 1 1 A 21 21 ARG HA H 265 4.377 4.403 -0.026 1
1 238 . 19 1 1 A 21 21 ARG C C 265 174.091 175.789 -1.698 1
1 239 . 19 1 1 A 21 21 ARG CA C 265 55.263 56.023 -0.760 1
1 240 . 19 1 1 A 21 21 ARG CB C 265 31.467 31.726 -0.259 1
1 243 . 19 1 1 A 21 21 ARG N N 265 126.182 120.396 5.786 1
1 245 . 19 1 1 A 22 22 PHE H H 266 7.699 8.832 -1.133 1
1 246 . 19 1 1 A 22 22 PHE HA H 266 4.688 4.947 -0.259 1
1 254 . 19 1 1 A 22 22 PHE C C 266 175.911 174.796 1.115 1
1 255 . 19 1 1 A 22 22 PHE CA C 266 57.132 59.230 -2.098 1
1 256 . 19 1 1 A 22 22 PHE CB C 266 41.270 40.002 1.268 1
1 260 . 19 1 1 A 22 22 PHE N N 266 127.111 122.913 4.198 1
1 261 . 19 1 1 A 23 23 CYS H H 267 8.140 8.342 -0.202 1
1 262 . 19 1 1 A 23 23 CYS HA H 267 4.282 5.060 -0.778 1
1 265 . 19 1 1 A 23 23 CYS C C 267 170.233 172.856 -2.623 1
1 266 . 19 1 1 A 23 23 CYS CA C 267 57.626 56.299 1.327 1
1 267 . 19 1 1 A 23 23 CYS CB C 267 30.411 32.117 -1.706 1
1 268 . 19 1 1 A 23 23 CYS N N 267 130.194 124.545 5.649 1
1 269 . 19 1 1 A 24 24 ARG H H 268 8.160 8.930 -0.770 1
1 270 . 19 1 1 A 24 24 ARG HA H 268 5.167 5.199 -0.032 1
1 278 . 19 1 1 A 24 24 ARG CA C 268 53.910 53.944 -0.034 1
1 279 . 19 1 1 A 24 24 ARG CB C 268 35.114 34.462 0.652 1
1 283 . 19 1 1 A 25 25 MET H H 269 8.839 8.802 0.037 1
1 284 . 19 1 1 A 25 25 MET HA H 269 4.518 5.309 -0.791 1
1 292 . 19 1 1 A 25 25 MET C C 269 174.090 174.062 0.028 1
1 293 . 19 1 1 A 25 25 MET CA C 269 54.960 54.035 0.925 1
1 294 . 19 1 1 A 25 25 MET CB C 269 35.645 37.428 -1.783 1
1 297 . 19 1 1 A 25 25 MET N N 269 127.757 118.859 8.898 1
1 298 . 19 1 1 A 26 26 ASP H H 270 8.473 9.018 -0.545 1
1 299 . 19 1 1 A 26 26 ASP HA H 270 5.772 5.518 0.254 1
1 302 . 19 1 1 A 26 26 ASP CA C 270 53.157 52.885 0.272 1
1 303 . 19 1 1 A 26 26 ASP CB C 270 43.595 42.423 1.172 1
1 304 . 19 1 1 A 26 26 ASP N N 270 129.880 118.544 11.336 1
1 305 . 19 1 1 A 27 27 PHE H H 271 9.180 9.309 -0.129 1
1 306 . 19 1 1 A 27 27 PHE HA H 271 5.014 5.069 -0.055 1
1 314 . 19 1 1 A 27 27 PHE CA C 271 55.904 56.292 -0.388 1
1 317 . 19 1 1 A 27 27 PHE N N 271 123.116 123.680 -0.564 1
1 318 . 19 1 1 A 28 28 LYS H H 272 9.221 8.734 0.487 1
1 327 . 19 1 1 A 28 28 LYS CA C 272 59.294 56.953 2.341 1
1 328 . 19 1 1 A 28 28 LYS CB C 272 38.090 32.799 5.291 1
1 332 . 19 1 1 A 28 28 LYS N N 272 131.321 125.250 6.071 1
1 333 . 19 1 1 A 29 29 VAL H H 273 8.304 8.647 -0.343 1
1 334 . 19 1 1 A 29 29 VAL HA H 273 4.331 4.856 -0.525 1
1 342 . 19 1 1 A 29 29 VAL C C 273 175.240 173.569 1.671 1
1 343 . 19 1 1 A 29 29 VAL CA C 273 61.020 59.467 1.553 1
1 344 . 19 1 1 A 29 29 VAL CB C 273 33.889 35.723 -1.834 1
1 347 . 19 1 1 A 30 30 SER H H 274 8.545 8.858 -0.313 1
1 348 . 19 1 1 A 30 30 SER HA H 274 4.647 4.840 -0.193 1
1 351 . 19 1 1 A 30 30 SER C C 274 172.993 173.283 -0.290 1
1 352 . 19 1 1 A 30 30 SER CA C 274 56.505 56.360 0.145 1
1 353 . 19 1 1 A 30 30 SER CB C 274 65.805 65.182 0.623 1
1 354 . 19 1 1 A 30 30 SER N N 274 129.796 121.332 8.464 1
1 355 . 19 1 1 A 31 31 GLY H H 275 7.712 8.560 -0.848 1
1 356 . 19 1 1 A 31 31 GLY HA2 H 275 3.220 4.135 -0.915 1
1 357 . 19 1 1 A 31 31 GLY HA3 H 275 3.649 4.138 -0.489 1
1 358 . 19 1 1 A 31 31 GLY C C 275 170.984 172.143 -1.159 1
1 359 . 19 1 1 A 31 31 GLY CA C 275 45.099 44.278 0.821 1
1 360 . 19 1 1 A 31 31 GLY N N 275 115.009 111.528 3.481 1
1 361 . 19 1 1 A 32 32 LEU H H 276 7.668 8.409 -0.741 1
1 362 . 19 1 1 A 32 32 LEU HA H 276 4.301 4.960 -0.659 1
1 372 . 19 1 1 A 32 32 LEU C C 276 173.812 174.560 -0.748 1
1 373 . 19 1 1 A 32 32 LEU CA C 276 52.370 51.539 0.831 1
1 374 . 19 1 1 A 32 32 LEU CB C 276 45.554 45.991 -0.437 1
1 378 . 19 1 1 A 32 32 LEU N N 276 129.727 120.855 8.872 1
1 379 . 19 1 1 A 33 33 PRO HA H 277 4.416 4.635 -0.219 1
1 386 . 19 1 1 A 33 33 PRO CA C 277 62.576 62.355 0.221 1
1 387 . 19 1 1 A 33 33 PRO CB C 277 35.012 32.652 2.360 1
1 390 . 19 1 1 A 34 34 ALA H H 278 8.598 8.326 0.272 1
1 391 . 19 1 1 A 34 34 ALA HA H 278 4.153 4.311 -0.158 1
1 395 . 19 1 1 A 34 34 ALA CA C 278 50.822 50.670 0.152 1
1 396 . 19 1 1 A 34 34 ALA CB C 278 17.462 18.867 -1.405 1
1 397 . 19 1 1 A 34 34 ALA N N 278 131.518 124.306 7.212 1
1 398 . 19 1 1 A 35 35 PRO HA H 279 4.206 4.590 -0.384 1
1 405 . 19 1 1 A 35 35 PRO C C 279 175.701 175.994 -0.293 1
1 406 . 19 1 1 A 35 35 PRO CA C 279 62.628 62.381 0.247 1
1 407 . 19 1 1 A 35 35 PRO CB C 279 33.069 32.068 1.001 1
1 410 . 19 1 1 A 36 36 ASP H H 280 8.621 8.549 0.072 1
1 411 . 19 1 1 A 36 36 ASP HA H 280 4.659 4.711 -0.052 1
1 414 . 19 1 1 A 36 36 ASP C C 280 176.057 175.763 0.294 1
1 415 . 19 1 1 A 36 36 ASP CA C 280 54.307 54.194 0.113 1
1 416 . 19 1 1 A 36 36 ASP CB C 280 42.741 41.306 1.435 1
1 417 . 19 1 1 A 36 36 ASP N N 280 127.555 122.045 5.510 1
1 418 . 19 1 1 A 37 37 VAL H H 281 8.635 8.858 -0.223 1
1 419 . 19 1 1 A 37 37 VAL HA H 281 4.938 4.883 0.055 1
1 427 . 19 1 1 A 37 37 VAL CA C 281 61.135 60.846 0.289 1
1 428 . 19 1 1 A 37 37 VAL CB C 281 34.579 32.729 1.850 1
1 431 . 19 1 1 A 38 38 SER H H 282 8.591 8.115 0.476 1
1 432 . 19 1 1 A 38 38 SER HA H 282 4.518 4.617 -0.099 1
1 435 . 19 1 1 A 38 38 SER CA C 282 57.540 58.814 -1.274 1
1 436 . 19 1 1 A 38 38 SER CB C 282 66.530 64.037 2.493 1
1 437 . 19 1 1 A 38 38 SER N N 282 128.264 123.531 4.733 1
1 438 . 19 1 1 A 39 39 TRP H H 283 8.426 8.640 -0.214 1
1 439 . 19 1 1 A 39 39 TRP HA H 283 5.297 5.441 -0.144 1
1 448 . 19 1 1 A 39 39 TRP CA C 283 56.298 55.959 0.339 1
1 449 . 19 1 1 A 39 39 TRP CB C 283 33.153 33.964 -0.811 1
1 455 . 19 1 1 A 39 39 TRP N N 283 127.698 122.976 4.722 1
1 456 . 19 1 1 A 40 40 TYR H H 284 9.373 9.213 0.160 1
1 457 . 19 1 1 A 40 40 TYR HA H 284 4.903 5.360 -0.457 1
1 464 . 19 1 1 A 40 40 TYR C C 284 174.148 174.711 -0.563 1
1 465 . 19 1 1 A 40 40 TYR CA C 284 56.849 56.316 0.533 1
1 466 . 19 1 1 A 40 40 TYR CB C 284 42.754 43.277 -0.523 1
1 469 . 19 1 1 A 40 40 TYR N N 284 125.437 119.576 5.861 1
1 470 . 19 1 1 A 41 41 LEU H H 285 8.898 9.168 -0.270 1
1 471 . 19 1 1 A 41 41 LEU HA H 285 4.255 4.590 -0.335 1
1 481 . 19 1 1 A 41 41 LEU C C 285 176.606 175.448 1.158 1
1 482 . 19 1 1 A 41 41 LEU CA C 285 53.659 53.974 -0.315 1
1 483 . 19 1 1 A 41 41 LEU CB C 285 43.740 44.751 -1.011 1
1 487 . 19 1 1 A 41 41 LEU N N 285 129.512 122.719 6.793 1
1 488 . 19 1 1 A 42 42 ASN H H 286 9.454 9.433 0.021 1
1 489 . 19 1 1 A 42 42 ASN HA H 286 4.221 4.419 -0.198 1
1 494 . 19 1 1 A 42 42 ASN C C 286 175.692 175.272 0.420 1
1 495 . 19 1 1 A 42 42 ASN CA C 286 54.239 54.399 -0.160 1
1 496 . 19 1 1 A 42 42 ASN CB C 286 37.331 36.954 0.377 1
1 497 . 19 1 1 A 42 42 ASN N N 286 134.097 126.375 7.722 1
1 499 . 19 1 1 A 43 43 GLY H H 287 8.709 8.406 0.303 1
1 500 . 19 1 1 A 43 43 GLY HA2 H 287 3.356 3.904 -0.548 1
1 501 . 19 1 1 A 43 43 GLY HA3 H 287 3.995 3.910 0.085 1
1 502 . 19 1 1 A 43 43 GLY C C 287 173.786 174.156 -0.370 1
1 503 . 19 1 1 A 43 43 GLY CA C 287 45.450 45.145 0.305 1
1 504 . 19 1 1 A 43 43 GLY N N 287 108.807 104.903 3.904 1
1 505 . 19 1 1 A 44 44 ARG H H 288 7.902 7.642 0.260 1
1 506 . 19 1 1 A 44 44 ARG HA H 288 4.697 4.736 -0.039 1
1 514 . 19 1 1 A 44 44 ARG C C 288 175.799 176.303 -0.504 1
1 515 . 19 1 1 A 44 44 ARG CA C 288 54.658 54.246 0.412 1
1 516 . 19 1 1 A 44 44 ARG CB C 288 32.436 31.939 0.497 1
1 519 . 19 1 1 A 44 44 ARG N N 288 127.837 120.056 7.781 1
1 521 . 19 1 1 A 45 45 THR H H 289 8.539 8.708 -0.169 1
1 522 . 19 1 1 A 45 45 THR HA H 289 3.763 4.333 -0.570 1
1 527 . 19 1 1 A 45 45 THR C C 289 174.692 174.303 0.389 1
1 528 . 19 1 1 A 45 45 THR CA C 289 63.977 61.801 2.176 1
1 529 . 19 1 1 A 45 45 THR CB C 289 69.706 69.950 -0.244 1
1 531 . 19 1 1 A 45 45 THR N N 289 126.100 113.916 12.184 1
1 532 . 19 1 1 A 46 46 VAL H H 290 8.033 8.418 -0.385 1
1 533 . 19 1 1 A 46 46 VAL HA H 290 3.647 4.893 -1.246 1
1 541 . 19 1 1 A 46 46 VAL C C 290 174.672 174.576 0.096 1
1 542 . 19 1 1 A 46 46 VAL CA C 290 62.458 60.129 2.329 1
1 543 . 19 1 1 A 46 46 VAL CB C 290 32.500 35.598 -3.098 1
1 546 . 19 1 1 A 46 46 VAL N N 290 134.795 121.465 13.330 1
1 547 . 19 1 1 A 47 47 GLN H H 291 8.124 8.813 -0.689 1
1 548 . 19 1 1 A 47 47 GLN HA H 291 4.281 4.859 -0.578 1
1 555 . 19 1 1 A 47 47 GLN C C 291 175.398 175.293 0.105 1
1 556 . 19 1 1 A 47 47 GLN CA C 291 54.235 54.015 0.220 1
1 557 . 19 1 1 A 47 47 GLN CB C 291 30.283 32.846 -2.563 1
1 559 . 19 1 1 A 47 47 GLN N N 291 132.792 125.781 7.011 1
1 561 . 19 1 1 A 48 48 SER H H 292 8.280 8.556 -0.276 1
1 562 . 19 1 1 A 48 48 SER HA H 292 4.308 4.510 -0.202 1
1 565 . 19 1 1 A 48 48 SER C C 292 174.304 173.515 0.789 1
1 566 . 19 1 1 A 48 48 SER CA C 292 58.222 58.370 -0.148 1
1 567 . 19 1 1 A 48 48 SER CB C 292 63.719 63.948 -0.229 1
1 568 . 19 1 1 A 48 48 SER N N 292 123.481 115.947 7.534 1
1 569 . 19 1 1 A 49 49 ASP H H 293 9.050 8.671 0.379 1
1 570 . 19 1 1 A 49 49 ASP HA H 293 4.482 5.062 -0.580 1
1 573 . 19 1 1 A 49 49 ASP C C 293 176.099 175.631 0.468 1
1 574 . 19 1 1 A 49 49 ASP CA C 293 53.668 53.005 0.663 1
1 575 . 19 1 1 A 49 49 ASP CB C 293 40.100 44.236 -4.136 1
1 576 . 19 1 1 A 49 49 ASP N N 293 131.157 121.919 9.238 1
1 577 . 19 1 1 A 50 50 ASP H H 294 8.324 8.901 -0.577 1
1 578 . 19 1 1 A 50 50 ASP HA H 294 4.167 4.243 -0.076 1
1 581 . 19 1 1 A 50 50 ASP C C 294 176.520 177.571 -1.051 1
1 582 . 19 1 1 A 50 50 ASP CA C 294 57.367 57.497 -0.130 1
1 583 . 19 1 1 A 50 50 ASP CB C 294 40.226 40.506 -0.280 1
1 584 . 19 1 1 A 50 50 ASP N N 294 122.206 124.819 -2.613 1
1 585 . 19 1 1 A 51 51 LEU H H 295 7.749 7.755 -0.006 1
1 586 . 19 1 1 A 51 51 LEU HA H 295 4.281 4.188 0.093 1
1 596 . 19 1 1 A 51 51 LEU C C 295 175.716 176.477 -0.761 1
1 597 . 19 1 1 A 51 51 LEU CA C 295 54.407 55.162 -0.755 1
1 598 . 19 1 1 A 51 51 LEU CB C 295 43.849 42.120 1.729 1
1 602 . 19 1 1 A 51 51 LEU N N 295 121.836 117.881 3.955 1
1 603 . 19 1 1 A 52 52 HIS H H 296 7.548 7.506 0.042 1
1 604 . 19 1 1 A 52 52 HIS HA H 296 5.091 4.829 0.262 1
1 609 . 19 1 1 A 52 52 HIS C C 296 172.683 173.887 -1.204 1
1 610 . 19 1 1 A 52 52 HIS CA C 296 54.900 53.737 1.163 1
1 611 . 19 1 1 A 52 52 HIS CB C 296 28.894 29.252 -0.358 1
1 614 . 19 1 1 A 52 52 HIS N N 296 126.326 116.110 10.216 1
1 615 . 19 1 1 A 53 53 LYS H H 297 8.515 8.551 -0.036 1
1 616 . 19 1 1 A 53 53 LYS HA H 297 4.608 4.255 0.353 1
1 625 . 19 1 1 A 53 53 LYS C C 297 174.797 175.600 -0.803 1
1 626 . 19 1 1 A 53 53 LYS CA C 297 54.303 56.826 -2.523 1
1 627 . 19 1 1 A 53 53 LYS CB C 297 35.705 33.171 2.534 1
1 631 . 19 1 1 A 53 53 LYS N N 297 127.067 122.639 4.428 1
1 632 . 19 1 1 A 54 54 MET H H 298 8.379 8.889 -0.510 1
1 633 . 19 1 1 A 54 54 MET HA H 298 5.091 5.089 0.002 1
1 641 . 19 1 1 A 54 54 MET CA C 298 55.427 54.621 0.806 1
1 642 . 19 1 1 A 54 54 MET CB C 298 34.100 35.188 -1.088 1
1 645 . 19 1 1 A 54 54 MET N N 298 128.992 120.798 8.194 1
1 646 . 19 1 1 A 55 55 ILE H H 299 8.279 8.895 -0.616 1
1 647 . 19 1 1 A 55 55 ILE HA H 299 4.602 5.264 -0.662 1
1 657 . 19 1 1 A 55 55 ILE CA C 299 59.130 59.099 0.031 1
1 658 . 19 1 1 A 55 55 ILE CB C 299 42.747 42.232 0.515 1
1 662 . 19 1 1 A 56 56 VAL H H 300 9.227 8.895 0.332 1
1 663 . 19 1 1 A 56 56 VAL HA H 300 4.912 4.984 -0.072 1
1 671 . 19 1 1 A 56 56 VAL CA C 300 59.226 60.387 -1.161 1
1 672 . 19 1 1 A 56 56 VAL CB C 300 36.406 33.798 2.608 1
1 675 . 19 1 1 A 57 57 SER H H 301 8.794 8.929 -0.135 1
1 676 . 19 1 1 A 57 57 SER HA H 301 4.575 4.489 0.086 1
1 679 . 19 1 1 A 57 57 SER CA C 301 56.558 58.596 -2.038 1
1 680 . 19 1 1 A 57 57 SER CB C 301 65.617 63.471 2.146 1
1 681 . 19 1 1 A 57 57 SER N N 301 128.893 123.070 5.823 1
1 682 . 19 1 1 A 58 58 GLU HA H 302 4.013 4.065 -0.052 1
1 687 . 19 1 1 A 58 58 GLU CA C 302 58.165 58.836 -0.671 1
1 688 . 19 1 1 A 58 58 GLU CB C 302 29.508 29.164 0.344 1
1 690 . 19 1 1 A 59 59 LYS HA H 303 4.114 4.328 -0.214 1
1 699 . 19 1 1 A 59 59 LYS C C 303 176.755 176.885 -0.130 1
1 700 . 19 1 1 A 59 59 LYS CA C 303 55.913 55.855 0.058 1
1 701 . 19 1 1 A 59 59 LYS CB C 303 31.679 32.873 -1.194 1
1 705 . 19 1 1 A 60 60 GLY H H 304 7.813 8.416 -0.603 1
1 706 . 19 1 1 A 60 60 GLY HA2 H 304 4.037 3.983 0.054 1
1 707 . 19 1 1 A 60 60 GLY HA3 H 304 3.411 3.986 -0.575 1
1 708 . 19 1 1 A 60 60 GLY C C 304 173.480 174.007 -0.527 1
1 709 . 19 1 1 A 60 60 GLY CA C 304 45.955 46.488 -0.533 1
1 710 . 19 1 1 A 60 60 GLY N N 304 113.597 107.948 5.649 1
1 711 . 19 1 1 A 61 61 LEU H H 305 7.253 7.300 -0.047 1
1 712 . 19 1 1 A 61 61 LEU HA H 305 4.396 4.978 -0.582 1
1 722 . 19 1 1 A 61 61 LEU CA C 305 54.825 54.030 0.795 1
1 723 . 19 1 1 A 61 61 LEU CB C 305 43.099 45.037 -1.938 1
1 727 . 19 1 1 A 61 61 LEU N N 305 128.081 120.814 7.267 1
1 728 . 19 1 1 A 62 62 HIS H H 306 8.294 9.284 -0.990 1
1 733 . 19 1 1 A 62 62 HIS N N 306 130.344 127.999 2.345 1
1 734 . 19 1 1 A 63 63 SER HA H 307 5.980 4.954 1.026 1
1 737 . 19 1 1 A 63 63 SER CA C 307 57.517 58.481 -0.964 1
1 738 . 19 1 1 A 63 63 SER CB C 307 66.760 64.093 2.667 1
1 739 . 19 1 1 A 64 64 LEU H H 308 8.827 8.578 0.249 1
1 740 . 19 1 1 A 64 64 LEU HA H 308 4.657 4.644 0.013 1
1 750 . 19 1 1 A 64 64 LEU C C 308 174.337 174.676 -0.339 1
1 751 . 19 1 1 A 64 64 LEU CA C 308 54.386 53.498 0.888 1
1 752 . 19 1 1 A 64 64 LEU CB C 308 42.678 44.812 -2.134 1
1 756 . 19 1 1 A 65 65 ILE H H 309 9.009 8.761 0.248 1
1 757 . 19 1 1 A 65 65 ILE HA H 309 3.880 4.869 -0.989 1
1 767 . 19 1 1 A 65 65 ILE C C 309 173.963 174.718 -0.755 1
1 768 . 19 1 1 A 65 65 ILE CA C 309 60.296 59.608 0.688 1
1 769 . 19 1 1 A 65 65 ILE CB C 309 40.727 40.870 -0.143 1
1 773 . 19 1 1 A 65 65 ILE N N 309 133.046 127.454 5.592 1
1 774 . 19 1 1 A 66 66 PHE H H 310 8.508 8.809 -0.301 1
1 775 . 19 1 1 A 66 66 PHE HA H 310 4.367 4.944 -0.577 1
1 783 . 19 1 1 A 66 66 PHE C C 310 174.555 175.660 -1.105 1
1 784 . 19 1 1 A 66 66 PHE CA C 310 54.878 55.933 -1.055 1
1 785 . 19 1 1 A 66 66 PHE CB C 310 38.819 40.408 -1.589 1
1 789 . 19 1 1 A 66 66 PHE N N 310 132.294 124.242 8.052 1
1 790 . 19 1 1 A 67 67 GLU H H 311 7.879 8.865 -0.986 1
1 791 . 19 1 1 A 67 67 GLU HA H 311 4.025 4.433 -0.408 1
1 796 . 19 1 1 A 67 67 GLU C C 311 177.819 177.197 0.622 1
1 797 . 19 1 1 A 67 67 GLU CA C 311 59.266 59.157 0.109 1
1 798 . 19 1 1 A 67 67 GLU CB C 311 30.421 30.566 -0.145 1
1 800 . 19 1 1 A 67 67 GLU N N 311 127.092 123.861 3.231 1
1 801 . 19 1 1 A 68 68 VAL H H 312 7.428 7.618 -0.190 1
1 802 . 19 1 1 A 68 68 VAL HA H 312 3.402 4.447 -1.045 1
1 810 . 19 1 1 A 68 68 VAL C C 312 173.921 174.235 -0.314 1
1 811 . 19 1 1 A 68 68 VAL CA C 312 61.444 61.208 0.236 1
1 812 . 19 1 1 A 68 68 VAL CB C 312 34.790 32.438 2.352 1
1 815 . 19 1 1 A 68 68 VAL N N 312 120.315 116.701 3.614 1
1 816 . 19 1 1 A 69 69 VAL H H 313 8.233 8.566 -0.333 1
1 817 . 19 1 1 A 69 69 VAL HA H 313 3.829 4.251 -0.422 1
1 825 . 19 1 1 A 69 69 VAL C C 313 175.123 175.232 -0.109 1
1 826 . 19 1 1 A 69 69 VAL CA C 313 63.200 62.711 0.489 1
1 827 . 19 1 1 A 69 69 VAL CB C 313 32.836 32.434 0.402 1
1 830 . 19 1 1 A 69 69 VAL N N 313 132.928 128.919 4.009 1
1 831 . 19 1 1 A 70 70 ARG H H 314 9.259 8.961 0.298 1
1 832 . 19 1 1 A 70 70 ARG HA H 314 4.776 4.743 0.033 1
1 839 . 19 1 1 A 70 70 ARG C C 314 177.491 176.747 0.744 1
1 840 . 19 1 1 A 70 70 ARG CA C 314 53.728 53.909 -0.181 1
1 841 . 19 1 1 A 70 70 ARG CB C 314 34.282 33.105 1.177 1
1 844 . 19 1 1 A 70 70 ARG N N 314 133.209 127.558 5.651 1
1 845 . 19 1 1 A 71 71 ALA H H 315 9.059 8.856 0.203 1
1 846 . 19 1 1 A 71 71 ALA HA H 315 3.676 3.990 -0.314 1
1 850 . 19 1 1 A 71 71 ALA C C 315 180.122 179.444 0.678 1
1 851 . 19 1 1 A 71 71 ALA CA C 315 56.356 55.100 1.256 1
1 852 . 19 1 1 A 71 71 ALA CB C 315 17.923 18.420 -0.497 1
1 853 . 19 1 1 A 71 71 ALA N N 315 131.839 124.348 7.491 1
1 854 . 19 1 1 A 72 72 SER H H 316 7.735 8.311 -0.576 1
1 855 . 19 1 1 A 72 72 SER HA H 316 4.046 4.229 -0.183 1
1 858 . 19 1 1 A 72 72 SER C C 316 175.495 175.047 0.448 1
1 859 . 19 1 1 A 72 72 SER CA C 316 60.037 61.057 -1.020 1
1 860 . 19 1 1 A 72 72 SER CB C 316 62.381 62.616 -0.235 1
1 861 . 19 1 1 A 72 72 SER N N 316 115.841 112.176 3.665 1
1 862 . 19 1 1 A 73 73 ASP H H 317 8.175 7.919 0.256 1
1 863 . 19 1 1 A 73 73 ASP HA H 317 4.644 4.739 -0.095 1
1 866 . 19 1 1 A 73 73 ASP C C 317 176.176 176.160 0.016 1
1 867 . 19 1 1 A 73 73 ASP CA C 317 55.305 54.794 0.511 1
1 868 . 19 1 1 A 73 73 ASP CB C 317 42.572 41.340 1.232 1
1 869 . 19 1 1 A 73 73 ASP N N 317 126.327 120.153 6.174 1
1 870 . 19 1 1 A 74 74 ALA H H 318 7.339 6.958 0.381 1
1 871 . 19 1 1 A 74 74 ALA HA H 318 4.013 4.270 -0.257 1
1 875 . 19 1 1 A 74 74 ALA C C 318 176.813 177.249 -0.436 1
1 876 . 19 1 1 A 74 74 ALA CA C 318 53.570 53.053 0.517 1
1 877 . 19 1 1 A 74 74 ALA CB C 318 20.548 20.419 0.129 1
1 878 . 19 1 1 A 74 74 ALA N N 318 127.859 121.913 5.946 1
1 879 . 19 1 1 A 75 75 GLY H H 319 8.797 8.805 -0.008 1
1 880 . 19 1 1 A 75 75 GLY HA2 H 319 3.599 4.064 -0.465 1
1 881 . 19 1 1 A 75 75 GLY HA3 H 319 4.239 4.121 0.118 1
1 882 . 19 1 1 A 75 75 GLY C C 319 170.102 172.282 -2.180 1
1 883 . 19 1 1 A 75 75 GLY CA C 319 45.105 44.112 0.993 1
1 884 . 19 1 1 A 75 75 GLY N N 319 114.261 107.164 7.097 1
1 885 . 19 1 1 A 76 76 ALA H H 320 7.621 8.047 -0.426 1
1 886 . 19 1 1 A 76 76 ALA HA H 320 4.521 4.774 -0.253 1
1 890 . 19 1 1 A 76 76 ALA C C 320 176.291 176.479 -0.188 1
1 891 . 19 1 1 A 76 76 ALA CA C 320 51.158 51.578 -0.420 1
1 892 . 19 1 1 A 76 76 ALA CB C 320 19.242 19.371 -0.129 1
1 893 . 19 1 1 A 76 76 ALA N N 320 129.042 122.896 6.146 1
1 894 . 19 1 1 A 77 77 TYR H H 321 9.406 8.965 0.441 1
1 895 . 19 1 1 A 77 77 TYR HA H 321 5.237 5.219 0.018 1
1 903 . 19 1 1 A 77 77 TYR C C 321 175.676 176.083 -0.407 1
1 904 . 19 1 1 A 77 77 TYR CA C 321 57.779 58.071 -0.292 1
1 905 . 19 1 1 A 77 77 TYR CB C 321 40.623 40.076 0.547 1
1 908 . 19 1 1 A 77 77 TYR N N 321 132.635 124.038 8.597 1
1 909 . 19 1 1 A 78 78 ALA H H 322 9.084 9.092 -0.008 1
1 910 . 19 1 1 A 78 78 ALA HA H 322 5.031 5.347 -0.316 1
1 914 . 19 1 1 A 78 78 ALA CA C 322 50.120 51.244 -1.124 1
1 915 . 19 1 1 A 78 78 ALA CB C 322 21.653 24.064 -2.411 1
1 916 . 19 1 1 A 78 78 ALA N N 322 130.291 122.384 7.907 1
1 917 . 19 1 1 A 79 79 CYS H H 323 7.932 8.892 -0.960 1
1 918 . 19 1 1 A 79 79 CYS HA H 323 4.037 4.950 -0.913 1
1 919 . 19 1 1 A 79 79 CYS C C 323 173.727 172.761 0.966 1
1 920 . 19 1 1 A 79 79 CYS CA C 323 56.345 57.040 -0.695 1
1 921 . 19 1 1 A 80 80 VAL H H 324 8.671 8.795 -0.124 1
1 922 . 19 1 1 A 80 80 VAL HA H 324 4.596 4.473 0.123 1
1 930 . 19 1 1 A 80 80 VAL C C 324 174.904 174.655 0.249 1
1 931 . 19 1 1 A 80 80 VAL CA C 324 60.907 61.529 -0.622 1
1 932 . 19 1 1 A 80 80 VAL CB C 324 34.334 33.962 0.372 1
1 934 . 19 1 1 A 80 80 VAL N N 324 135.079 124.305 10.774 1
1 935 . 19 1 1 A 81 81 ALA H H 325 9.107 8.610 0.497 1
1 936 . 19 1 1 A 81 81 ALA HA H 325 5.220 4.954 0.266 1
1 940 . 19 1 1 A 81 81 ALA C C 325 175.446 176.592 -1.146 1
1 941 . 19 1 1 A 81 81 ALA CA C 325 49.197 51.118 -1.921 1
1 942 . 19 1 1 A 81 81 ALA CB C 325 22.479 20.038 2.441 1
1 943 . 19 1 1 A 81 81 ALA N N 325 136.369 131.023 5.346 1
1 944 . 19 1 1 A 82 82 LYS H H 326 8.734 8.736 -0.002 1
1 945 . 19 1 1 A 82 82 LYS HA H 326 5.021 5.092 -0.071 1
1 954 . 19 1 1 A 82 82 LYS C C 326 175.054 175.196 -0.142 1
1 955 . 19 1 1 A 82 82 LYS CA C 326 55.451 54.614 0.837 1
1 956 . 19 1 1 A 82 82 LYS CB C 326 37.852 35.634 2.218 1
1 960 . 19 1 1 A 82 82 LYS N N 326 128.038 122.955 5.083 1
1 961 . 19 1 1 A 83 83 ASN H H 327 8.949 8.816 0.133 1
1 962 . 19 1 1 A 83 83 ASN HA H 327 4.624 5.162 -0.538 1
1 967 . 19 1 1 A 83 83 ASN C C 327 176.409 175.460 0.949 1
1 968 . 19 1 1 A 83 83 ASN CA C 327 51.838 51.565 0.273 1
1 969 . 19 1 1 A 83 83 ASN CB C 327 40.927 39.900 1.027 1
1 970 . 19 1 1 A 83 83 ASN N N 327 128.769 121.834 6.935 1
1 972 . 19 1 1 A 84 84 ARG H H 328 8.203 9.152 -0.949 1
1 973 . 19 1 1 A 84 84 ARG HA H 328 3.917 4.079 -0.162 1
1 981 . 19 1 1 A 84 84 ARG C C 328 175.820 176.098 -0.278 1
1 982 . 19 1 1 A 84 84 ARG CA C 328 58.250 58.305 -0.055 1
1 983 . 19 1 1 A 84 84 ARG CB C 328 29.985 29.667 0.318 1
1 986 . 19 1 1 A 84 84 ARG N N 328 121.021 117.721 3.300 1
1 988 . 19 1 1 A 85 85 ALA H H 329 7.599 8.033 -0.434 1
1 989 . 19 1 1 A 85 85 ALA HA H 329 4.279 4.483 -0.204 1
1 993 . 19 1 1 A 85 85 ALA C C 329 177.261 177.011 0.250 1
1 994 . 19 1 1 A 85 85 ALA CA C 329 51.905 51.915 -0.010 1
1 995 . 19 1 1 A 85 85 ALA CB C 329 19.637 20.261 -0.624 1
1 996 . 19 1 1 A 85 85 ALA N N 329 125.074 121.691 3.383 1
1 997 . 19 1 1 A 86 86 GLY H H 330 7.624 7.117 0.507 1
1 998 . 19 1 1 A 86 86 GLY HA2 H 330 3.806 4.057 -0.251 1
1 999 . 19 1 1 A 86 86 GLY HA3 H 330 4.164 4.060 0.104 1
1 1000 . 19 1 1 A 86 86 GLY C C 330 169.646 170.937 -1.291 1
1 1001 . 19 1 1 A 86 86 GLY CA C 330 46.012 45.746 0.266 1
1 1002 . 19 1 1 A 86 86 GLY N N 330 112.891 103.699 9.192 1
1 1003 . 19 1 1 A 87 87 GLU H H 331 8.213 8.449 -0.236 1
1 1004 . 19 1 1 A 87 87 GLU HA H 331 5.274 5.339 -0.065 1
1 1009 . 19 1 1 A 87 87 GLU C C 331 174.418 174.594 -0.176 1
1 1010 . 19 1 1 A 87 87 GLU CA C 331 54.349 54.964 -0.615 1
1 1011 . 19 1 1 A 87 87 GLU CB C 331 34.615 33.536 1.079 1
1 1013 . 19 1 1 A 87 87 GLU N N 331 123.208 120.146 3.062 1
1 1014 . 19 1 1 A 88 88 ALA H H 332 8.897 8.747 0.150 1
1 1015 . 19 1 1 A 88 88 ALA HA H 332 4.569 4.899 -0.330 1
1 1019 . 19 1 1 A 88 88 ALA C C 332 175.121 174.964 0.157 1
1 1020 . 19 1 1 A 88 88 ALA CA C 332 51.592 50.364 1.228 1
1 1021 . 19 1 1 A 88 88 ALA CB C 332 23.324 23.435 -0.111 1
1 1022 . 19 1 1 A 88 88 ALA N N 332 131.757 125.674 6.083 1
1 1023 . 19 1 1 A 89 89 THR H H 333 8.521 8.022 0.499 1
1 1024 . 19 1 1 A 89 89 THR HA H 333 5.661 4.853 0.808 1
1 1029 . 19 1 1 A 89 89 THR C C 333 173.827 173.165 0.662 1
1 1030 . 19 1 1 A 89 89 THR CA C 333 60.601 60.579 0.022 1
1 1031 . 19 1 1 A 89 89 THR CB C 333 72.140 71.539 0.601 1
1 1033 . 19 1 1 A 89 89 THR N N 333 121.100 114.906 6.194 1
1 1034 . 19 1 1 A 90 90 PHE H H 334 8.603 8.864 -0.261 1
1 1035 . 19 1 1 A 90 90 PHE HA H 334 4.624 5.370 -0.746 1
1 1043 . 19 1 1 A 90 90 PHE CA C 334 56.618 56.066 0.552 1
1 1044 . 19 1 1 A 90 90 PHE CB C 334 42.489 44.026 -1.537 1
1 1048 . 19 1 1 A 91 91 THR H H 335 8.174 8.955 -0.781 1
1 1049 . 19 1 1 A 91 91 THR HA H 335 5.445 5.255 0.190 1
1 1054 . 19 1 1 A 91 91 THR CA C 335 60.110 61.541 -1.431 1
1 1055 . 19 1 1 A 91 91 THR CB C 335 71.671 72.289 -0.618 1
1 1057 . 19 1 1 A 92 92 VAL H H 336 9.158 8.837 0.321 1
1 1058 . 19 1 1 A 92 92 VAL HA H 336 4.432 4.950 -0.518 1
1 1066 . 19 1 1 A 92 92 VAL C C 336 171.594 173.270 -1.676 1
1 1067 . 19 1 1 A 92 92 VAL CA C 336 60.914 60.051 0.863 1
1 1068 . 19 1 1 A 92 92 VAL CB C 336 35.760 35.806 -0.046 1
1 1071 . 19 1 1 A 92 92 VAL N N 336 130.220 122.113 8.107 1
1 1072 . 19 1 1 A 93 93 GLN H H 337 8.302 8.640 -0.338 1
1 1073 . 19 1 1 A 93 93 GLN HA H 337 4.756 5.370 -0.614 1
1 1080 . 19 1 1 A 93 93 GLN C C 337 174.009 173.431 0.578 1
1 1081 . 19 1 1 A 93 93 GLN CA C 337 54.672 54.286 0.386 1
1 1082 . 19 1 1 A 93 93 GLN CB C 337 30.071 32.422 -2.351 1
1 1084 . 19 1 1 A 93 93 GLN N N 337 133.412 126.199 7.213 1
1 1086 . 19 1 1 A 94 94 LEU H H 338 8.812 9.307 -0.495 1
1 1087 . 19 1 1 A 94 94 LEU HA H 338 4.836 5.024 -0.188 1
1 1097 . 19 1 1 A 94 94 LEU C C 338 175.099 174.322 0.777 1
1 1098 . 19 1 1 A 94 94 LEU CA C 338 53.725 53.849 -0.124 1
1 1099 . 19 1 1 A 94 94 LEU CB C 338 44.955 45.676 -0.721 1
1 1103 . 19 1 1 A 94 94 LEU N N 338 133.816 127.749 6.067 1
1 1104 . 19 1 1 A 95 95 ASP H H 339 8.747 9.274 -0.527 1
1 1105 . 19 1 1 A 95 95 ASP HA H 339 4.871 4.873 -0.002 1
1 1108 . 19 1 1 A 95 95 ASP C C 339 174.295 174.722 -0.427 1
1 1109 . 19 1 1 A 95 95 ASP CA C 339 53.311 52.888 0.423 1
1 1110 . 19 1 1 A 95 95 ASP CB C 339 42.895 40.808 2.087 1
1 1111 . 19 1 1 A 95 95 ASP N N 339 134.770 128.710 6.060 1
1 1112 . 19 1 1 A 96 96 VAL H H 340 7.745 8.204 -0.459 1
1 1113 . 19 1 1 A 96 96 VAL HA H 340 4.653 4.068 0.585 1
1 1121 . 19 1 1 A 96 96 VAL C C 340 175.494 175.598 -0.104 1
1 1122 . 19 1 1 A 96 96 VAL CA C 340 60.722 62.971 -2.249 1
1 1123 . 19 1 1 A 96 96 VAL CB C 340 33.852 31.650 2.202 1
1 1126 . 19 1 1 A 96 96 VAL N N 340 128.328 125.133 3.195 1
1 1127 . 19 1 1 A 97 97 LEU H H 341 8.524 9.007 -0.483 1
1 1128 . 19 1 1 A 97 97 LEU HA H 341 4.243 4.589 -0.346 1
1 1138 . 19 1 1 A 97 97 LEU C C 341 176.052 176.468 -0.416 1
1 1139 . 19 1 1 A 97 97 LEU CA C 341 54.086 54.429 -0.343 1
1 1140 . 19 1 1 A 97 97 LEU CB C 341 41.446 41.020 0.426 1
1 1144 . 19 1 1 A 97 97 LEU N N 341 136.554 129.580 6.974 1
1 1145 . 19 1 1 A 98 98 ALA H H 342 8.344 8.520 -0.176 1
1 1146 . 19 1 1 A 98 98 ALA HA H 342 4.227 4.486 -0.259 1
1 1150 . 19 1 1 A 98 98 ALA C C 342 177.569 178.265 -0.696 1
1 1151 . 19 1 1 A 98 98 ALA CA C 342 51.964 52.739 -0.775 1
1 1152 . 19 1 1 A 98 98 ALA CB C 342 19.976 19.499 0.477 1
1 1153 . 19 1 1 A 98 98 ALA N N 342 134.558 128.143 6.415 1
1 1154 . 19 1 1 A 99 99 LYS H H 343 8.552 8.485 0.067 1
1 1155 . 19 1 1 A 99 99 LYS HA H 343 4.119 4.721 -0.602 1
1 1164 . 19 1 1 A 99 99 LYS C C 343 175.859 177.018 -1.159 1
1 1165 . 19 1 1 A 99 99 LYS CA C 343 56.453 55.482 0.971 1
1 1166 . 19 1 1 A 99 99 LYS CB C 343 33.257 32.881 0.376 1
1 1170 . 19 1 1 A 99 99 LYS N N 343 128.906 117.309 11.597 1
1 4 . 20 1 1 A 2 2 ALA HA H -3 4.167 4.443 -0.276 1
1 8 . 20 1 1 A 2 2 ALA C C -3 177.254 176.998 0.256 1
1 9 . 20 1 1 A 2 2 ALA CA C -3 52.427 52.175 0.252 1
1 10 . 20 1 1 A 2 2 ALA CB C -3 19.740 19.974 -0.234 1
1 11 . 20 1 1 A 3 3 MET H H -2 8.135 8.674 -0.539 1
1 12 . 20 1 1 A 3 3 MET HA H -2 4.351 4.983 -0.632 1
1 20 . 20 1 1 A 3 3 MET C C -2 176.007 174.709 1.298 1
1 21 . 20 1 1 A 3 3 MET CA C -2 55.444 53.495 1.949 1
1 22 . 20 1 1 A 3 3 MET CB C -2 34.277 36.200 -1.923 1
1 25 . 20 1 1 A 3 3 MET N N -2 125.628 114.877 10.751 1
1 43 . 20 1 1 A 6 6 PRO HA H 250 4.591 4.738 -0.147 1
1 50 . 20 1 1 A 6 6 PRO C C 250 175.444 175.640 -0.196 1
1 51 . 20 1 1 A 6 6 PRO CA C 250 61.829 62.547 -0.718 1
1 52 . 20 1 1 A 6 6 PRO CB C 250 32.464 32.299 0.165 1
1 55 . 20 1 1 A 7 7 ARG H H 251 7.588 8.385 -0.797 1
1 56 . 20 1 1 A 7 7 ARG HA H 251 4.078 4.970 -0.892 1
1 64 . 20 1 1 A 7 7 ARG C C 251 175.065 175.274 -0.209 1
1 65 . 20 1 1 A 7 7 ARG CA C 251 54.552 54.671 -0.119 1
1 66 . 20 1 1 A 7 7 ARG CB C 251 33.587 33.814 -0.227 1
1 69 . 20 1 1 A 7 7 ARG N N 251 124.900 121.067 3.833 1
1 71 . 20 1 1 A 8 8 PHE H H 252 8.893 9.121 -0.228 1
1 72 . 20 1 1 A 8 8 PHE HA H 252 4.708 5.221 -0.513 1
1 80 . 20 1 1 A 8 8 PHE CA C 252 59.744 56.593 3.151 1
1 81 . 20 1 1 A 8 8 PHE CB C 252 39.263 39.606 -0.343 1
1 85 . 20 1 1 A 8 8 PHE N N 252 128.828 117.629 11.199 1
1 86 . 20 1 1 A 9 9 ILE H H 253 8.223 9.239 -1.016 1
1 87 . 20 1 1 A 9 9 ILE HA H 253 4.090 4.844 -0.754 1
1 97 . 20 1 1 A 9 9 ILE C C 253 175.698 175.272 0.426 1
1 98 . 20 1 1 A 9 9 ILE CA C 253 61.230 59.586 1.644 1
1 99 . 20 1 1 A 9 9 ILE CB C 253 39.165 39.715 -0.550 1
1 103 . 20 1 1 A 9 9 ILE N N 253 128.239 124.694 3.545 1
1 104 . 20 1 1 A 10 10 GLN H H 254 7.437 8.373 -0.936 1
1 105 . 20 1 1 A 10 10 GLN HA H 254 4.450 4.241 0.209 1
1 112 . 20 1 1 A 10 10 GLN C C 254 174.149 175.475 -1.326 1
1 113 . 20 1 1 A 10 10 GLN CA C 254 56.197 56.972 -0.775 1
1 114 . 20 1 1 A 10 10 GLN CB C 254 32.367 29.377 2.990 1
1 116 . 20 1 1 A 10 10 GLN N N 254 127.323 123.308 4.015 1
1 118 . 20 1 1 A 11 11 VAL H H 255 8.283 8.712 -0.429 1
1 119 . 20 1 1 A 11 11 VAL HA H 255 4.185 4.405 -0.220 1
1 127 . 20 1 1 A 11 11 VAL CA C 255 57.931 58.069 -0.138 1
1 128 . 20 1 1 A 11 11 VAL CB C 255 33.230 33.643 -0.413 1
1 131 . 20 1 1 A 11 11 VAL N N 255 126.734 120.718 6.016 1
1 132 . 20 1 1 A 12 12 PRO HA H 256 4.538 4.432 0.106 1
1 139 . 20 1 1 A 12 12 PRO CA C 256 62.209 62.273 -0.064 1
1 140 . 20 1 1 A 12 12 PRO CB C 256 31.724 32.131 -0.407 1
1 143 . 20 1 1 A 13 13 GLU H H 257 7.870 8.532 -0.662 1
1 144 . 20 1 1 A 13 13 GLU HA H 257 4.257 4.537 -0.280 1
1 149 . 20 1 1 A 13 13 GLU CA C 257 54.764 56.209 -1.445 1
1 150 . 20 1 1 A 13 13 GLU CB C 257 31.690 30.780 0.910 1
1 152 . 20 1 1 A 13 13 GLU N N 257 124.369 120.677 3.692 1
1 153 . 20 1 1 A 14 14 ASN H H 258 8.133 8.650 -0.517 1
1 154 . 20 1 1 A 14 14 ASN HA H 258 4.639 4.759 -0.120 1
1 159 . 20 1 1 A 14 14 ASN CA C 258 54.285 53.731 0.554 1
1 160 . 20 1 1 A 14 14 ASN CB C 258 38.023 38.768 -0.745 1
1 161 . 20 1 1 A 14 14 ASN N N 258 123.151 120.376 2.775 1
1 163 . 20 1 1 A 15 15 MET H H 259 8.295 9.093 -0.798 1
1 164 . 20 1 1 A 15 15 MET HA H 259 4.695 5.297 -0.602 1
1 172 . 20 1 1 A 15 15 MET C C 259 174.675 174.223 0.452 1
1 173 . 20 1 1 A 15 15 MET CA C 259 55.153 53.977 1.176 1
1 174 . 20 1 1 A 15 15 MET CB C 259 38.064 37.473 0.591 1
1 177 . 20 1 1 A 15 15 MET N N 259 125.442 120.383 5.059 1
1 178 . 20 1 1 A 16 16 SER H H 260 8.332 8.823 -0.491 1
1 179 . 20 1 1 A 16 16 SER HA H 260 5.261 5.541 -0.280 1
1 182 . 20 1 1 A 16 16 SER C C 260 172.889 173.451 -0.562 1
1 183 . 20 1 1 A 16 16 SER CA C 260 56.748 56.869 -0.121 1
1 184 . 20 1 1 A 16 16 SER CB C 260 64.170 65.897 -1.727 1
1 185 . 20 1 1 A 16 16 SER N N 260 125.417 113.435 11.982 1
1 186 . 20 1 1 A 17 17 ILE H H 261 8.394 8.452 -0.058 1
1 187 . 20 1 1 A 17 17 ILE HA H 261 4.366 4.605 -0.239 1
1 197 . 20 1 1 A 17 17 ILE C C 261 173.465 174.697 -1.232 1
1 198 . 20 1 1 A 17 17 ILE CA C 261 57.461 60.268 -2.807 1
1 199 . 20 1 1 A 17 17 ILE CB C 261 41.882 42.096 -0.214 1
1 203 . 20 1 1 A 17 17 ILE N N 261 131.680 124.278 7.402 1
1 204 . 20 1 1 A 18 18 ASP H H 262 8.043 8.743 -0.700 1
1 205 . 20 1 1 A 18 18 ASP HA H 262 4.498 4.574 -0.076 1
1 208 . 20 1 1 A 18 18 ASP C C 262 174.970 175.891 -0.921 1
1 209 . 20 1 1 A 18 18 ASP CA C 262 54.962 54.681 0.281 1
1 210 . 20 1 1 A 18 18 ASP CB C 262 41.518 40.974 0.544 1
1 211 . 20 1 1 A 18 18 ASP N N 262 132.455 127.454 5.001 1
1 212 . 20 1 1 A 19 19 GLU H H 263 8.058 8.765 -0.707 1
1 213 . 20 1 1 A 19 19 GLU HA H 263 3.322 3.913 -0.591 1
1 218 . 20 1 1 A 19 19 GLU C C 263 176.656 177.236 -0.580 1
1 219 . 20 1 1 A 19 19 GLU CA C 263 58.351 58.303 0.048 1
1 220 . 20 1 1 A 19 19 GLU CB C 263 29.716 29.270 0.446 1
1 222 . 20 1 1 A 19 19 GLU N N 263 126.424 124.807 1.617 1
1 223 . 20 1 1 A 20 20 GLY H H 264 9.131 9.086 0.045 1
1 224 . 20 1 1 A 20 20 GLY HA2 H 264 3.366 3.986 -0.620 1
1 225 . 20 1 1 A 20 20 GLY HA3 H 264 4.196 3.988 0.208 1
1 226 . 20 1 1 A 20 20 GLY C C 264 174.582 174.864 -0.282 1
1 227 . 20 1 1 A 20 20 GLY CA C 264 44.837 45.060 -0.223 1
1 228 . 20 1 1 A 20 20 GLY N N 264 119.124 114.912 4.212 1
1 229 . 20 1 1 A 21 21 ARG H H 265 7.192 7.455 -0.263 1
1 230 . 20 1 1 A 21 21 ARG HA H 265 4.377 4.423 -0.046 1
1 238 . 20 1 1 A 21 21 ARG C C 265 174.091 175.772 -1.681 1
1 239 . 20 1 1 A 21 21 ARG CA C 265 55.263 55.932 -0.669 1
1 240 . 20 1 1 A 21 21 ARG CB C 265 31.467 31.692 -0.225 1
1 243 . 20 1 1 A 21 21 ARG N N 265 126.182 120.371 5.811 1
1 245 . 20 1 1 A 22 22 PHE H H 266 7.699 8.805 -1.106 1
1 246 . 20 1 1 A 22 22 PHE HA H 266 4.688 4.958 -0.270 1
1 254 . 20 1 1 A 22 22 PHE C C 266 175.911 175.091 0.820 1
1 255 . 20 1 1 A 22 22 PHE CA C 266 57.132 59.206 -2.074 1
1 256 . 20 1 1 A 22 22 PHE CB C 266 41.270 40.074 1.196 1
1 260 . 20 1 1 A 22 22 PHE N N 266 127.111 122.458 4.653 1
1 261 . 20 1 1 A 23 23 CYS H H 267 8.140 8.350 -0.210 1
1 262 . 20 1 1 A 23 23 CYS HA H 267 4.282 5.041 -0.759 1
1 265 . 20 1 1 A 23 23 CYS C C 267 170.233 172.437 -2.204 1
1 266 . 20 1 1 A 23 23 CYS CA C 267 57.626 58.079 -0.453 1
1 267 . 20 1 1 A 23 23 CYS CB C 267 30.411 32.245 -1.834 1
1 268 . 20 1 1 A 23 23 CYS N N 267 130.194 126.024 4.170 1
1 269 . 20 1 1 A 24 24 ARG H H 268 8.160 8.957 -0.797 1
1 270 . 20 1 1 A 24 24 ARG HA H 268 5.167 5.284 -0.117 1
1 278 . 20 1 1 A 24 24 ARG CA C 268 53.910 54.039 -0.129 1
1 279 . 20 1 1 A 24 24 ARG CB C 268 35.114 34.706 0.408 1
1 283 . 20 1 1 A 25 25 MET H H 269 8.839 8.969 -0.130 1
1 284 . 20 1 1 A 25 25 MET HA H 269 4.518 5.164 -0.646 1
1 292 . 20 1 1 A 25 25 MET C C 269 174.090 174.730 -0.640 1
1 293 . 20 1 1 A 25 25 MET CA C 269 54.960 54.816 0.144 1
1 294 . 20 1 1 A 25 25 MET CB C 269 35.645 36.460 -0.815 1
1 297 . 20 1 1 A 25 25 MET N N 269 127.757 119.431 8.326 1
1 298 . 20 1 1 A 26 26 ASP H H 270 8.473 8.791 -0.318 1
1 299 . 20 1 1 A 26 26 ASP HA H 270 5.772 5.109 0.663 1
1 302 . 20 1 1 A 26 26 ASP CA C 270 53.157 54.455 -1.298 1
1 303 . 20 1 1 A 26 26 ASP CB C 270 43.595 41.550 2.045 1
1 304 . 20 1 1 A 26 26 ASP N N 270 129.880 124.742 5.138 1
1 305 . 20 1 1 A 27 27 PHE H H 271 9.180 9.161 0.019 1
1 306 . 20 1 1 A 27 27 PHE HA H 271 5.014 4.986 0.028 1
1 314 . 20 1 1 A 27 27 PHE CA C 271 55.904 56.270 -0.366 1
1 317 . 20 1 1 A 27 27 PHE N N 271 123.116 122.361 0.755 1
1 318 . 20 1 1 A 28 28 LYS H H 272 9.221 8.354 0.867 1
1 327 . 20 1 1 A 28 28 LYS CA C 272 59.294 56.864 2.430 1
1 328 . 20 1 1 A 28 28 LYS CB C 272 38.090 32.820 5.270 1
1 332 . 20 1 1 A 28 28 LYS N N 272 131.321 124.955 6.366 1
1 333 . 20 1 1 A 29 29 VAL H H 273 8.304 8.655 -0.351 1
1 334 . 20 1 1 A 29 29 VAL HA H 273 4.331 4.883 -0.552 1
1 342 . 20 1 1 A 29 29 VAL C C 273 175.240 173.893 1.347 1
1 343 . 20 1 1 A 29 29 VAL CA C 273 61.020 59.773 1.247 1
1 344 . 20 1 1 A 29 29 VAL CB C 273 33.889 35.189 -1.300 1
1 347 . 20 1 1 A 30 30 SER H H 274 8.545 8.953 -0.408 1
1 348 . 20 1 1 A 30 30 SER HA H 274 4.647 5.219 -0.572 1
1 351 . 20 1 1 A 30 30 SER C C 274 172.993 172.964 0.029 1
1 352 . 20 1 1 A 30 30 SER CA C 274 56.505 56.535 -0.030 1
1 353 . 20 1 1 A 30 30 SER CB C 274 65.805 66.000 -0.195 1
1 354 . 20 1 1 A 30 30 SER N N 274 129.796 122.611 7.185 1
1 355 . 20 1 1 A 31 31 GLY H H 275 7.712 8.377 -0.665 1
1 356 . 20 1 1 A 31 31 GLY HA2 H 275 3.220 4.141 -0.921 1
1 357 . 20 1 1 A 31 31 GLY HA3 H 275 3.649 4.145 -0.496 1
1 358 . 20 1 1 A 31 31 GLY C C 275 170.984 171.228 -0.244 1
1 359 . 20 1 1 A 31 31 GLY CA C 275 45.099 45.053 0.046 1
1 360 . 20 1 1 A 31 31 GLY N N 275 115.009 111.071 3.938 1
1 361 . 20 1 1 A 32 32 LEU H H 276 7.668 8.226 -0.558 1
1 362 . 20 1 1 A 32 32 LEU HA H 276 4.301 4.883 -0.582 1
1 372 . 20 1 1 A 32 32 LEU C C 276 173.812 174.742 -0.930 1
1 373 . 20 1 1 A 32 32 LEU CA C 276 52.370 51.387 0.983 1
1 374 . 20 1 1 A 32 32 LEU CB C 276 45.554 45.853 -0.299 1
1 378 . 20 1 1 A 32 32 LEU N N 276 129.727 121.372 8.355 1
1 379 . 20 1 1 A 33 33 PRO HA H 277 4.416 4.647 -0.231 1
1 386 . 20 1 1 A 33 33 PRO CA C 277 62.576 62.404 0.172 1
1 387 . 20 1 1 A 33 33 PRO CB C 277 35.012 32.612 2.400 1
1 390 . 20 1 1 A 34 34 ALA H H 278 8.598 8.345 0.253 1
1 391 . 20 1 1 A 34 34 ALA HA H 278 4.153 4.318 -0.165 1
1 395 . 20 1 1 A 34 34 ALA CA C 278 50.822 50.737 0.085 1
1 396 . 20 1 1 A 34 34 ALA CB C 278 17.462 19.118 -1.656 1
1 397 . 20 1 1 A 34 34 ALA N N 278 131.518 124.404 7.114 1
1 398 . 20 1 1 A 35 35 PRO HA H 279 4.206 4.509 -0.303 1
1 405 . 20 1 1 A 35 35 PRO C C 279 175.701 175.987 -0.286 1
1 406 . 20 1 1 A 35 35 PRO CA C 279 62.628 62.418 0.210 1
1 407 . 20 1 1 A 35 35 PRO CB C 279 33.069 32.075 0.994 1
1 410 . 20 1 1 A 36 36 ASP H H 280 8.621 8.497 0.124 1
1 411 . 20 1 1 A 36 36 ASP HA H 280 4.659 4.798 -0.139 1
1 414 . 20 1 1 A 36 36 ASP C C 280 176.057 175.275 0.782 1
1 415 . 20 1 1 A 36 36 ASP CA C 280 54.307 53.914 0.393 1
1 416 . 20 1 1 A 36 36 ASP CB C 280 42.741 41.873 0.868 1
1 417 . 20 1 1 A 36 36 ASP N N 280 127.555 121.881 5.674 1
1 418 . 20 1 1 A 37 37 VAL H H 281 8.635 8.649 -0.014 1
1 419 . 20 1 1 A 37 37 VAL HA H 281 4.938 4.977 -0.039 1
1 427 . 20 1 1 A 37 37 VAL CA C 281 61.135 60.691 0.444 1
1 428 . 20 1 1 A 37 37 VAL CB C 281 34.579 34.814 -0.235 1
1 431 . 20 1 1 A 38 38 SER H H 282 8.591 8.604 -0.013 1
1 432 . 20 1 1 A 38 38 SER HA H 282 4.518 5.431 -0.913 1
1 435 . 20 1 1 A 38 38 SER CA C 282 57.540 56.832 0.708 1
1 436 . 20 1 1 A 38 38 SER CB C 282 66.530 66.228 0.302 1
1 437 . 20 1 1 A 38 38 SER N N 282 128.264 121.678 6.586 1
1 438 . 20 1 1 A 39 39 TRP H H 283 8.426 8.384 0.042 1
1 439 . 20 1 1 A 39 39 TRP HA H 283 5.297 5.580 -0.283 1
1 448 . 20 1 1 A 39 39 TRP CA C 283 56.298 55.866 0.432 1
1 449 . 20 1 1 A 39 39 TRP CB C 283 33.153 33.193 -0.040 1
1 455 . 20 1 1 A 39 39 TRP N N 283 127.698 121.965 5.733 1
1 456 . 20 1 1 A 40 40 TYR H H 284 9.373 9.258 0.115 1
1 457 . 20 1 1 A 40 40 TYR HA H 284 4.903 5.369 -0.466 1
1 464 . 20 1 1 A 40 40 TYR C C 284 174.148 174.593 -0.445 1
1 465 . 20 1 1 A 40 40 TYR CA C 284 56.849 56.276 0.573 1
1 466 . 20 1 1 A 40 40 TYR CB C 284 42.754 43.287 -0.533 1
1 469 . 20 1 1 A 40 40 TYR N N 284 125.437 119.612 5.825 1
1 470 . 20 1 1 A 41 41 LEU H H 285 8.898 9.176 -0.278 1
1 471 . 20 1 1 A 41 41 LEU HA H 285 4.255 4.570 -0.315 1
1 481 . 20 1 1 A 41 41 LEU C C 285 176.606 175.467 1.139 1
1 482 . 20 1 1 A 41 41 LEU CA C 285 53.659 53.947 -0.288 1
1 483 . 20 1 1 A 41 41 LEU CB C 285 43.740 44.711 -0.971 1
1 487 . 20 1 1 A 41 41 LEU N N 285 129.512 122.520 6.992 1
1 488 . 20 1 1 A 42 42 ASN H H 286 9.454 9.485 -0.031 1
1 489 . 20 1 1 A 42 42 ASN HA H 286 4.221 4.419 -0.198 1
1 494 . 20 1 1 A 42 42 ASN C C 286 175.692 175.280 0.412 1
1 495 . 20 1 1 A 42 42 ASN CA C 286 54.239 54.398 -0.159 1
1 496 . 20 1 1 A 42 42 ASN CB C 286 37.331 36.959 0.372 1
1 497 . 20 1 1 A 42 42 ASN N N 286 134.097 126.398 7.699 1
1 499 . 20 1 1 A 43 43 GLY H H 287 8.709 8.357 0.352 1
1 500 . 20 1 1 A 43 43 GLY HA2 H 287 3.356 3.969 -0.613 1
1 501 . 20 1 1 A 43 43 GLY HA3 H 287 3.995 3.981 0.014 1
1 502 . 20 1 1 A 43 43 GLY C C 287 173.786 174.642 -0.856 1
1 503 . 20 1 1 A 43 43 GLY CA C 287 45.450 45.131 0.319 1
1 504 . 20 1 1 A 43 43 GLY N N 287 108.807 104.985 3.822 1
1 505 . 20 1 1 A 44 44 ARG H H 288 7.902 7.591 0.311 1
1 506 . 20 1 1 A 44 44 ARG HA H 288 4.697 4.597 0.100 1
1 514 . 20 1 1 A 44 44 ARG C C 288 175.799 176.373 -0.574 1
1 515 . 20 1 1 A 44 44 ARG CA C 288 54.658 55.332 -0.674 1
1 516 . 20 1 1 A 44 44 ARG CB C 288 32.436 31.534 0.902 1
1 519 . 20 1 1 A 44 44 ARG N N 288 127.837 120.312 7.525 1
1 521 . 20 1 1 A 45 45 THR H H 289 8.539 8.700 -0.161 1
1 522 . 20 1 1 A 45 45 THR HA H 289 3.763 4.352 -0.589 1
1 527 . 20 1 1 A 45 45 THR C C 289 174.692 174.341 0.351 1
1 528 . 20 1 1 A 45 45 THR CA C 289 63.977 61.612 2.365 1
1 529 . 20 1 1 A 45 45 THR CB C 289 69.706 69.879 -0.173 1
1 531 . 20 1 1 A 45 45 THR N N 289 126.100 113.653 12.447 1
1 532 . 20 1 1 A 46 46 VAL H H 290 8.033 8.392 -0.359 1
1 533 . 20 1 1 A 46 46 VAL HA H 290 3.647 4.485 -0.838 1
1 541 . 20 1 1 A 46 46 VAL C C 290 174.672 175.414 -0.742 1
1 542 . 20 1 1 A 46 46 VAL CA C 290 62.458 61.437 1.021 1
1 543 . 20 1 1 A 46 46 VAL CB C 290 32.500 33.796 -1.296 1
1 546 . 20 1 1 A 46 46 VAL N N 290 134.795 121.688 13.107 1
1 547 . 20 1 1 A 47 47 GLN H H 291 8.124 8.529 -0.405 1
1 548 . 20 1 1 A 47 47 GLN HA H 291 4.281 4.278 0.003 1
1 555 . 20 1 1 A 47 47 GLN C C 291 175.398 175.639 -0.241 1
1 556 . 20 1 1 A 47 47 GLN CA C 291 54.235 56.217 -1.982 1
1 557 . 20 1 1 A 47 47 GLN CB C 291 30.283 29.241 1.042 1
1 559 . 20 1 1 A 47 47 GLN N N 291 132.792 126.707 6.085 1
1 561 . 20 1 1 A 48 48 SER H H 292 8.280 8.509 -0.229 1
1 562 . 20 1 1 A 48 48 SER HA H 292 4.308 4.560 -0.252 1
1 565 . 20 1 1 A 48 48 SER C C 292 174.304 173.464 0.840 1
1 566 . 20 1 1 A 48 48 SER CA C 292 58.222 58.133 0.089 1
1 567 . 20 1 1 A 48 48 SER CB C 292 63.719 64.423 -0.704 1
1 568 . 20 1 1 A 48 48 SER N N 292 123.481 116.712 6.769 1
1 569 . 20 1 1 A 49 49 ASP H H 293 9.050 8.850 0.200 1
1 570 . 20 1 1 A 49 49 ASP HA H 293 4.482 5.069 -0.587 1
1 573 . 20 1 1 A 49 49 ASP C C 293 176.099 175.601 0.498 1
1 574 . 20 1 1 A 49 49 ASP CA C 293 53.668 53.014 0.654 1
1 575 . 20 1 1 A 49 49 ASP CB C 293 40.100 44.313 -4.213 1
1 576 . 20 1 1 A 49 49 ASP N N 293 131.157 121.299 9.858 1
1 577 . 20 1 1 A 50 50 ASP H H 294 8.324 8.906 -0.582 1
1 578 . 20 1 1 A 50 50 ASP HA H 294 4.167 4.235 -0.068 1
1 581 . 20 1 1 A 50 50 ASP C C 294 176.520 177.580 -1.060 1
1 582 . 20 1 1 A 50 50 ASP CA C 294 57.367 57.499 -0.132 1
1 583 . 20 1 1 A 50 50 ASP CB C 294 40.226 40.507 -0.281 1
1 584 . 20 1 1 A 50 50 ASP N N 294 122.206 124.773 -2.567 1
1 585 . 20 1 1 A 51 51 LEU H H 295 7.749 7.661 0.088 1
1 586 . 20 1 1 A 51 51 LEU HA H 295 4.281 4.193 0.088 1
1 596 . 20 1 1 A 51 51 LEU C C 295 175.716 176.326 -0.610 1
1 597 . 20 1 1 A 51 51 LEU CA C 295 54.407 55.337 -0.930 1
1 598 . 20 1 1 A 51 51 LEU CB C 295 43.849 42.239 1.610 1
1 602 . 20 1 1 A 51 51 LEU N N 295 121.836 117.736 4.100 1
1 603 . 20 1 1 A 52 52 HIS H H 296 7.548 7.383 0.165 1
1 604 . 20 1 1 A 52 52 HIS HA H 296 5.091 4.926 0.165 1
1 609 . 20 1 1 A 52 52 HIS C C 296 172.683 173.348 -0.665 1
1 610 . 20 1 1 A 52 52 HIS CA C 296 54.900 54.258 0.642 1
1 611 . 20 1 1 A 52 52 HIS CB C 296 28.894 30.267 -1.373 1
1 614 . 20 1 1 A 52 52 HIS N N 296 126.326 116.435 9.891 1
1 615 . 20 1 1 A 53 53 LYS H H 297 8.515 8.666 -0.151 1
1 616 . 20 1 1 A 53 53 LYS HA H 297 4.608 4.776 -0.168 1
1 625 . 20 1 1 A 53 53 LYS C C 297 174.797 175.643 -0.846 1
1 626 . 20 1 1 A 53 53 LYS CA C 297 54.303 55.102 -0.799 1
1 627 . 20 1 1 A 53 53 LYS CB C 297 35.705 34.633 1.072 1
1 631 . 20 1 1 A 53 53 LYS N N 297 127.067 124.442 2.625 1
1 632 . 20 1 1 A 54 54 MET H H 298 8.379 8.747 -0.368 1
1 633 . 20 1 1 A 54 54 MET HA H 298 5.091 5.075 0.016 1
1 641 . 20 1 1 A 54 54 MET CA C 298 55.427 54.758 0.669 1
1 642 . 20 1 1 A 54 54 MET CB C 298 34.100 35.515 -1.415 1
1 645 . 20 1 1 A 54 54 MET N N 298 128.992 121.022 7.970 1
1 646 . 20 1 1 A 55 55 ILE H H 299 8.279 8.134 0.145 1
1 647 . 20 1 1 A 55 55 ILE HA H 299 4.602 5.099 -0.497 1
1 657 . 20 1 1 A 55 55 ILE CA C 299 59.130 58.905 0.225 1
1 658 . 20 1 1 A 55 55 ILE CB C 299 42.747 42.114 0.633 1
1 662 . 20 1 1 A 56 56 VAL H H 300 9.227 8.654 0.573 1
1 663 . 20 1 1 A 56 56 VAL HA H 300 4.912 4.612 0.300 1
1 671 . 20 1 1 A 56 56 VAL CA C 300 59.226 60.506 -1.280 1
1 672 . 20 1 1 A 56 56 VAL CB C 300 36.406 35.053 1.353 1
1 675 . 20 1 1 A 57 57 SER H H 301 8.794 8.855 -0.061 1
1 676 . 20 1 1 A 57 57 SER HA H 301 4.575 4.596 -0.021 1
1 679 . 20 1 1 A 57 57 SER CA C 301 56.558 57.605 -1.047 1
1 680 . 20 1 1 A 57 57 SER CB C 301 65.617 65.175 0.442 1
1 681 . 20 1 1 A 57 57 SER N N 301 128.893 121.685 7.208 1
1 682 . 20 1 1 A 58 58 GLU HA H 302 4.013 4.096 -0.083 1
1 687 . 20 1 1 A 58 58 GLU CA C 302 58.165 58.285 -0.120 1
1 688 . 20 1 1 A 58 58 GLU CB C 302 29.508 28.812 0.696 1
1 690 . 20 1 1 A 59 59 LYS HA H 303 4.114 4.405 -0.291 1
1 699 . 20 1 1 A 59 59 LYS C C 303 176.755 177.023 -0.268 1
1 700 . 20 1 1 A 59 59 LYS CA C 303 55.913 55.908 0.005 1
1 701 . 20 1 1 A 59 59 LYS CB C 303 31.679 33.312 -1.633 1
1 705 . 20 1 1 A 60 60 GLY H H 304 7.813 7.828 -0.015 1
1 706 . 20 1 1 A 60 60 GLY HA2 H 304 4.037 3.977 0.060 1
1 707 . 20 1 1 A 60 60 GLY HA3 H 304 3.411 3.980 -0.569 1
1 708 . 20 1 1 A 60 60 GLY C C 304 173.480 174.198 -0.718 1
1 709 . 20 1 1 A 60 60 GLY CA C 304 45.955 46.474 -0.519 1
1 710 . 20 1 1 A 60 60 GLY N N 304 113.597 108.395 5.202 1
1 711 . 20 1 1 A 61 61 LEU H H 305 7.253 7.587 -0.334 1
1 712 . 20 1 1 A 61 61 LEU HA H 305 4.396 4.832 -0.436 1
1 722 . 20 1 1 A 61 61 LEU CA C 305 54.825 53.607 1.218 1
1 723 . 20 1 1 A 61 61 LEU CB C 305 43.099 44.219 -1.120 1
1 727 . 20 1 1 A 61 61 LEU N N 305 128.081 121.557 6.524 1
1 728 . 20 1 1 A 62 62 HIS H H 306 8.294 9.158 -0.864 1
1 733 . 20 1 1 A 62 62 HIS N N 306 130.344 127.644 2.700 1
1 734 . 20 1 1 A 63 63 SER HA H 307 5.980 5.024 0.956 1
1 737 . 20 1 1 A 63 63 SER CA C 307 57.517 58.020 -0.503 1
1 738 . 20 1 1 A 63 63 SER CB C 307 66.760 64.417 2.343 1
1 739 . 20 1 1 A 64 64 LEU H H 308 8.827 8.642 0.185 1
1 740 . 20 1 1 A 64 64 LEU HA H 308 4.657 4.431 0.226 1
1 750 . 20 1 1 A 64 64 LEU C C 308 174.337 174.623 -0.286 1
1 751 . 20 1 1 A 64 64 LEU CA C 308 54.386 54.202 0.184 1
1 752 . 20 1 1 A 64 64 LEU CB C 308 42.678 42.901 -0.223 1
1 756 . 20 1 1 A 65 65 ILE H H 309 9.009 8.223 0.786 1
1 757 . 20 1 1 A 65 65 ILE HA H 309 3.880 4.614 -0.734 1
1 767 . 20 1 1 A 65 65 ILE C C 309 173.963 174.382 -0.419 1
1 768 . 20 1 1 A 65 65 ILE CA C 309 60.296 59.397 0.899 1
1 769 . 20 1 1 A 65 65 ILE CB C 309 40.727 41.316 -0.589 1
1 773 . 20 1 1 A 65 65 ILE N N 309 133.046 128.179 4.867 1
1 774 . 20 1 1 A 66 66 PHE H H 310 8.508 8.823 -0.315 1
1 775 . 20 1 1 A 66 66 PHE HA H 310 4.367 4.898 -0.531 1
1 783 . 20 1 1 A 66 66 PHE C C 310 174.555 175.649 -1.094 1
1 784 . 20 1 1 A 66 66 PHE CA C 310 54.878 55.876 -0.998 1
1 785 . 20 1 1 A 66 66 PHE CB C 310 38.819 40.603 -1.784 1
1 789 . 20 1 1 A 66 66 PHE N N 310 132.294 124.779 7.515 1
1 790 . 20 1 1 A 67 67 GLU H H 311 7.879 8.765 -0.886 1
1 791 . 20 1 1 A 67 67 GLU HA H 311 4.025 4.471 -0.446 1
1 796 . 20 1 1 A 67 67 GLU C C 311 177.819 177.208 0.611 1
1 797 . 20 1 1 A 67 67 GLU CA C 311 59.266 59.133 0.133 1
1 798 . 20 1 1 A 67 67 GLU CB C 311 30.421 30.820 -0.399 1
1 800 . 20 1 1 A 67 67 GLU N N 311 127.092 123.824 3.268 1
1 801 . 20 1 1 A 68 68 VAL H H 312 7.428 7.590 -0.162 1
1 802 . 20 1 1 A 68 68 VAL HA H 312 3.402 4.482 -1.080 1
1 810 . 20 1 1 A 68 68 VAL C C 312 173.921 174.131 -0.210 1
1 811 . 20 1 1 A 68 68 VAL CA C 312 61.444 61.113 0.331 1
1 812 . 20 1 1 A 68 68 VAL CB C 312 34.790 32.837 1.953 1
1 815 . 20 1 1 A 68 68 VAL N N 312 120.315 116.826 3.489 1
1 816 . 20 1 1 A 69 69 VAL H H 313 8.233 8.661 -0.428 1
1 817 . 20 1 1 A 69 69 VAL HA H 313 3.829 4.240 -0.411 1
1 825 . 20 1 1 A 69 69 VAL C C 313 175.123 174.957 0.166 1
1 826 . 20 1 1 A 69 69 VAL CA C 313 63.200 62.501 0.699 1
1 827 . 20 1 1 A 69 69 VAL CB C 313 32.836 32.582 0.254 1
1 830 . 20 1 1 A 69 69 VAL N N 313 132.928 128.875 4.053 1
1 831 . 20 1 1 A 70 70 ARG H H 314 9.259 9.012 0.247 1
1 832 . 20 1 1 A 70 70 ARG HA H 314 4.776 4.716 0.060 1
1 839 . 20 1 1 A 70 70 ARG C C 314 177.491 176.843 0.648 1
1 840 . 20 1 1 A 70 70 ARG CA C 314 53.728 54.005 -0.277 1
1 841 . 20 1 1 A 70 70 ARG CB C 314 34.282 32.840 1.442 1
1 844 . 20 1 1 A 70 70 ARG N N 314 133.209 127.514 5.695 1
1 845 . 20 1 1 A 71 71 ALA H H 315 9.059 8.899 0.160 1
1 846 . 20 1 1 A 71 71 ALA HA H 315 3.676 4.018 -0.342 1
1 850 . 20 1 1 A 71 71 ALA C C 315 180.122 179.740 0.382 1
1 851 . 20 1 1 A 71 71 ALA CA C 315 56.356 55.197 1.159 1
1 852 . 20 1 1 A 71 71 ALA CB C 315 17.923 18.419 -0.496 1
1 853 . 20 1 1 A 71 71 ALA N N 315 131.839 124.358 7.481 1
1 854 . 20 1 1 A 72 72 SER H H 316 7.735 7.989 -0.254 1
1 855 . 20 1 1 A 72 72 SER HA H 316 4.046 4.226 -0.180 1
1 858 . 20 1 1 A 72 72 SER C C 316 175.495 174.555 0.940 1
1 859 . 20 1 1 A 72 72 SER CA C 316 60.037 61.294 -1.257 1
1 860 . 20 1 1 A 72 72 SER CB C 316 62.381 63.115 -0.734 1
1 861 . 20 1 1 A 72 72 SER N N 316 115.841 113.704 2.137 1
1 862 . 20 1 1 A 73 73 ASP H H 317 8.175 7.907 0.268 1
1 863 . 20 1 1 A 73 73 ASP HA H 317 4.644 4.753 -0.109 1
1 866 . 20 1 1 A 73 73 ASP C C 317 176.176 176.180 -0.004 1
1 867 . 20 1 1 A 73 73 ASP CA C 317 55.305 54.687 0.618 1
1 868 . 20 1 1 A 73 73 ASP CB C 317 42.572 41.397 1.175 1
1 869 . 20 1 1 A 73 73 ASP N N 317 126.327 119.055 7.272 1
1 870 . 20 1 1 A 74 74 ALA H H 318 7.339 6.967 0.372 1
1 871 . 20 1 1 A 74 74 ALA HA H 318 4.013 4.257 -0.244 1
1 875 . 20 1 1 A 74 74 ALA C C 318 176.813 177.203 -0.390 1
1 876 . 20 1 1 A 74 74 ALA CA C 318 53.570 53.044 0.526 1
1 877 . 20 1 1 A 74 74 ALA CB C 318 20.548 20.503 0.045 1
1 878 . 20 1 1 A 74 74 ALA N N 318 127.859 121.904 5.955 1
1 879 . 20 1 1 A 75 75 GLY H H 319 8.797 8.754 0.043 1
1 880 . 20 1 1 A 75 75 GLY HA2 H 319 3.599 4.090 -0.491 1
1 881 . 20 1 1 A 75 75 GLY HA3 H 319 4.239 4.149 0.090 1
1 882 . 20 1 1 A 75 75 GLY C C 319 170.102 172.271 -2.169 1
1 883 . 20 1 1 A 75 75 GLY CA C 319 45.105 44.291 0.814 1
1 884 . 20 1 1 A 75 75 GLY N N 319 114.261 107.180 7.081 1
1 885 . 20 1 1 A 76 76 ALA H H 320 7.621 8.112 -0.491 1
1 886 . 20 1 1 A 76 76 ALA HA H 320 4.521 4.751 -0.230 1
1 890 . 20 1 1 A 76 76 ALA C C 320 176.291 176.483 -0.192 1
1 891 . 20 1 1 A 76 76 ALA CA C 320 51.158 51.574 -0.416 1
1 892 . 20 1 1 A 76 76 ALA CB C 320 19.242 19.334 -0.092 1
1 893 . 20 1 1 A 76 76 ALA N N 320 129.042 122.919 6.123 1
1 894 . 20 1 1 A 77 77 TYR H H 321 9.406 8.864 0.542 1
1 895 . 20 1 1 A 77 77 TYR HA H 321 5.237 5.181 0.056 1
1 903 . 20 1 1 A 77 77 TYR C C 321 175.676 176.081 -0.405 1
1 904 . 20 1 1 A 77 77 TYR CA C 321 57.779 58.263 -0.484 1
1 905 . 20 1 1 A 77 77 TYR CB C 321 40.623 40.026 0.597 1
1 908 . 20 1 1 A 77 77 TYR N N 321 132.635 124.701 7.934 1
1 909 . 20 1 1 A 78 78 ALA H H 322 9.084 8.988 0.096 1
1 910 . 20 1 1 A 78 78 ALA HA H 322 5.031 5.322 -0.291 1
1 914 . 20 1 1 A 78 78 ALA CA C 322 50.120 51.124 -1.004 1
1 915 . 20 1 1 A 78 78 ALA CB C 322 21.653 23.870 -2.217 1
1 916 . 20 1 1 A 78 78 ALA N N 322 130.291 122.585 7.706 1
1 917 . 20 1 1 A 79 79 CYS H H 323 7.932 8.959 -1.027 1
1 918 . 20 1 1 A 79 79 CYS HA H 323 4.037 4.778 -0.741 1
1 919 . 20 1 1 A 79 79 CYS C C 323 173.727 172.816 0.911 1
1 920 . 20 1 1 A 79 79 CYS CA C 323 56.345 56.840 -0.495 1
1 921 . 20 1 1 A 80 80 VAL H H 324 8.671 8.715 -0.044 1
1 922 . 20 1 1 A 80 80 VAL HA H 324 4.596 4.780 -0.184 1
1 930 . 20 1 1 A 80 80 VAL C C 324 174.904 174.374 0.530 1
1 931 . 20 1 1 A 80 80 VAL CA C 324 60.907 60.408 0.499 1
1 932 . 20 1 1 A 80 80 VAL CB C 324 34.334 34.722 -0.388 1
1 934 . 20 1 1 A 80 80 VAL N N 324 135.079 125.437 9.642 1
1 935 . 20 1 1 A 81 81 ALA H H 325 9.107 8.948 0.159 1
1 936 . 20 1 1 A 81 81 ALA HA H 325 5.220 5.487 -0.267 1
1 940 . 20 1 1 A 81 81 ALA C C 325 175.446 175.893 -0.447 1
1 941 . 20 1 1 A 81 81 ALA CA C 325 49.197 50.074 -0.877 1
1 942 . 20 1 1 A 81 81 ALA CB C 325 22.479 21.635 0.844 1
1 943 . 20 1 1 A 81 81 ALA N N 325 136.369 129.063 7.306 1
1 944 . 20 1 1 A 82 82 LYS H H 326 8.734 8.970 -0.236 1
1 945 . 20 1 1 A 82 82 LYS HA H 326 5.021 5.149 -0.128 1
1 954 . 20 1 1 A 82 82 LYS C C 326 175.054 175.278 -0.224 1
1 955 . 20 1 1 A 82 82 LYS CA C 326 55.451 54.661 0.790 1
1 956 . 20 1 1 A 82 82 LYS CB C 326 37.852 35.929 1.923 1
1 960 . 20 1 1 A 82 82 LYS N N 326 128.038 122.721 5.317 1
1 961 . 20 1 1 A 83 83 ASN H H 327 8.949 8.717 0.232 1
1 962 . 20 1 1 A 83 83 ASN HA H 327 4.624 5.125 -0.501 1
1 967 . 20 1 1 A 83 83 ASN C C 327 176.409 175.690 0.719 1
1 968 . 20 1 1 A 83 83 ASN CA C 327 51.838 51.304 0.534 1
1 969 . 20 1 1 A 83 83 ASN CB C 327 40.927 39.797 1.130 1
1 970 . 20 1 1 A 83 83 ASN N N 327 128.769 121.568 7.201 1
1 972 . 20 1 1 A 84 84 ARG H H 328 8.203 9.108 -0.905 1
1 973 . 20 1 1 A 84 84 ARG HA H 328 3.917 4.087 -0.170 1
1 981 . 20 1 1 A 84 84 ARG C C 328 175.820 176.075 -0.255 1
1 982 . 20 1 1 A 84 84 ARG CA C 328 58.250 58.313 -0.063 1
1 983 . 20 1 1 A 84 84 ARG CB C 328 29.985 29.676 0.309 1
1 986 . 20 1 1 A 84 84 ARG N N 328 121.021 117.834 3.187 1
1 988 . 20 1 1 A 85 85 ALA H H 329 7.599 8.090 -0.491 1
1 989 . 20 1 1 A 85 85 ALA HA H 329 4.279 4.490 -0.211 1
1 993 . 20 1 1 A 85 85 ALA C C 329 177.261 176.919 0.342 1
1 994 . 20 1 1 A 85 85 ALA CA C 329 51.905 51.958 -0.053 1
1 995 . 20 1 1 A 85 85 ALA CB C 329 19.637 20.603 -0.966 1
1 996 . 20 1 1 A 85 85 ALA N N 329 125.074 121.592 3.482 1
1 997 . 20 1 1 A 86 86 GLY H H 330 7.624 7.144 0.480 1
1 998 . 20 1 1 A 86 86 GLY HA2 H 330 3.806 4.069 -0.263 1
1 999 . 20 1 1 A 86 86 GLY HA3 H 330 4.164 4.072 0.092 1
1 1000 . 20 1 1 A 86 86 GLY C C 330 169.646 170.886 -1.240 1
1 1001 . 20 1 1 A 86 86 GLY CA C 330 46.012 45.984 0.028 1
1 1002 . 20 1 1 A 86 86 GLY N N 330 112.891 103.334 9.557 1
1 1003 . 20 1 1 A 87 87 GLU H H 331 8.213 8.495 -0.282 1
1 1004 . 20 1 1 A 87 87 GLU HA H 331 5.274 5.306 -0.032 1
1 1009 . 20 1 1 A 87 87 GLU C C 331 174.418 174.710 -0.292 1
1 1010 . 20 1 1 A 87 87 GLU CA C 331 54.349 54.872 -0.523 1
1 1011 . 20 1 1 A 87 87 GLU CB C 331 34.615 33.604 1.011 1
1 1013 . 20 1 1 A 87 87 GLU N N 331 123.208 120.171 3.037 1
1 1014 . 20 1 1 A 88 88 ALA H H 332 8.897 8.846 0.051 1
1 1015 . 20 1 1 A 88 88 ALA HA H 332 4.569 4.677 -0.108 1
1 1019 . 20 1 1 A 88 88 ALA C C 332 175.121 174.723 0.398 1
1 1020 . 20 1 1 A 88 88 ALA CA C 332 51.592 49.984 1.608 1
1 1021 . 20 1 1 A 88 88 ALA CB C 332 23.324 23.020 0.304 1
1 1022 . 20 1 1 A 88 88 ALA N N 332 131.757 126.135 5.622 1
1 1023 . 20 1 1 A 89 89 THR H H 333 8.521 7.531 0.990 1
1 1024 . 20 1 1 A 89 89 THR HA H 333 5.661 5.037 0.624 1
1 1029 . 20 1 1 A 89 89 THR C C 333 173.827 172.678 1.149 1
1 1030 . 20 1 1 A 89 89 THR CA C 333 60.601 60.639 -0.038 1
1 1031 . 20 1 1 A 89 89 THR CB C 333 72.140 72.021 0.119 1
1 1033 . 20 1 1 A 89 89 THR N N 333 121.100 113.960 7.140 1
1 1034 . 20 1 1 A 90 90 PHE H H 334 8.603 8.872 -0.269 1
1 1035 . 20 1 1 A 90 90 PHE HA H 334 4.624 5.394 -0.770 1
1 1043 . 20 1 1 A 90 90 PHE CA C 334 56.618 56.156 0.462 1
1 1044 . 20 1 1 A 90 90 PHE CB C 334 42.489 43.581 -1.092 1
1 1048 . 20 1 1 A 91 91 THR H H 335 8.174 8.948 -0.774 1
1 1049 . 20 1 1 A 91 91 THR HA H 335 5.445 5.282 0.163 1
1 1054 . 20 1 1 A 91 91 THR CA C 335 60.110 61.483 -1.373 1
1 1055 . 20 1 1 A 91 91 THR CB C 335 71.671 72.353 -0.682 1
1 1057 . 20 1 1 A 92 92 VAL H H 336 9.158 8.978 0.180 1
1 1058 . 20 1 1 A 92 92 VAL HA H 336 4.432 4.962 -0.530 1
1 1066 . 20 1 1 A 92 92 VAL C C 336 171.594 173.065 -1.471 1
1 1067 . 20 1 1 A 92 92 VAL CA C 336 60.914 60.160 0.754 1
1 1068 . 20 1 1 A 92 92 VAL CB C 336 35.760 35.910 -0.150 1
1 1071 . 20 1 1 A 92 92 VAL N N 336 130.220 122.067 8.153 1
1 1072 . 20 1 1 A 93 93 GLN H H 337 8.302 8.837 -0.535 1
1 1073 . 20 1 1 A 93 93 GLN HA H 337 4.756 5.311 -0.555 1
1 1080 . 20 1 1 A 93 93 GLN C C 337 174.009 173.560 0.449 1
1 1081 . 20 1 1 A 93 93 GLN CA C 337 54.672 54.320 0.352 1
1 1082 . 20 1 1 A 93 93 GLN CB C 337 30.071 32.429 -2.358 1
1 1084 . 20 1 1 A 93 93 GLN N N 337 133.412 126.639 6.773 1
1 1086 . 20 1 1 A 94 94 LEU H H 338 8.812 9.252 -0.440 1
1 1087 . 20 1 1 A 94 94 LEU HA H 338 4.836 5.125 -0.289 1
1 1097 . 20 1 1 A 94 94 LEU C C 338 175.099 174.560 0.539 1
1 1098 . 20 1 1 A 94 94 LEU CA C 338 53.725 53.728 -0.003 1
1 1099 . 20 1 1 A 94 94 LEU CB C 338 44.955 45.276 -0.321 1
1 1103 . 20 1 1 A 94 94 LEU N N 338 133.816 127.985 5.831 1
1 1104 . 20 1 1 A 95 95 ASP H H 339 8.747 9.259 -0.512 1
1 1105 . 20 1 1 A 95 95 ASP HA H 339 4.871 4.835 0.036 1
1 1108 . 20 1 1 A 95 95 ASP C C 339 174.295 174.723 -0.428 1
1 1109 . 20 1 1 A 95 95 ASP CA C 339 53.311 52.896 0.415 1
1 1110 . 20 1 1 A 95 95 ASP CB C 339 42.895 40.767 2.128 1
1 1111 . 20 1 1 A 95 95 ASP N N 339 134.770 128.716 6.054 1
1 1112 . 20 1 1 A 96 96 VAL H H 340 7.745 8.223 -0.478 1
1 1113 . 20 1 1 A 96 96 VAL HA H 340 4.653 4.069 0.584 1
1 1121 . 20 1 1 A 96 96 VAL C C 340 175.494 175.539 -0.045 1
1 1122 . 20 1 1 A 96 96 VAL CA C 340 60.722 62.974 -2.252 1
1 1123 . 20 1 1 A 96 96 VAL CB C 340 33.852 31.534 2.318 1
1 1126 . 20 1 1 A 96 96 VAL N N 340 128.328 125.365 2.963 1
1 1127 . 20 1 1 A 97 97 LEU H H 341 8.524 8.855 -0.331 1
1 1128 . 20 1 1 A 97 97 LEU HA H 341 4.243 4.613 -0.370 1
1 1138 . 20 1 1 A 97 97 LEU C C 341 176.052 176.505 -0.453 1
1 1139 . 20 1 1 A 97 97 LEU CA C 341 54.086 54.355 -0.269 1
1 1140 . 20 1 1 A 97 97 LEU CB C 341 41.446 41.156 0.290 1
1 1144 . 20 1 1 A 97 97 LEU N N 341 136.554 129.435 7.119 1
1 1145 . 20 1 1 A 98 98 ALA H H 342 8.344 8.625 -0.281 1
1 1146 . 20 1 1 A 98 98 ALA HA H 342 4.227 4.413 -0.186 1
1 1150 . 20 1 1 A 98 98 ALA C C 342 177.569 178.783 -1.214 1
1 1151 . 20 1 1 A 98 98 ALA CA C 342 51.964 52.434 -0.470 1
1 1152 . 20 1 1 A 98 98 ALA CB C 342 19.976 19.107 0.869 1
1 1153 . 20 1 1 A 98 98 ALA N N 342 134.558 128.363 6.195 1
1 1154 . 20 1 1 A 99 99 LYS H H 343 8.552 8.892 -0.340 1
1 1155 . 20 1 1 A 99 99 LYS HA H 343 4.119 4.075 0.044 1
1 1164 . 20 1 1 A 99 99 LYS C C 343 175.859 178.413 -2.554 1
1 1165 . 20 1 1 A 99 99 LYS CA C 343 56.453 58.508 -2.055 1
1 1166 . 20 1 1 A 99 99 LYS CB C 343 33.257 32.016 1.241 1
1 1170 . 20 1 1 A 99 99 LYS N N 343 128.906 121.182 7.724 1
1 4 . 21 1 1 A 2 2 ALA HA H -3 4.167 4.398 -0.231 1
1 8 . 21 1 1 A 2 2 ALA C C -3 177.254 177.034 0.220 1
1 9 . 21 1 1 A 2 2 ALA CA C -3 52.427 52.179 0.248 1
1 10 . 21 1 1 A 2 2 ALA CB C -3 19.740 20.141 -0.401 1
1 11 . 21 1 1 A 3 3 MET H H -2 8.135 8.732 -0.597 1
1 12 . 21 1 1 A 3 3 MET HA H -2 4.351 4.991 -0.640 1
1 20 . 21 1 1 A 3 3 MET C C -2 176.007 174.924 1.083 1
1 21 . 21 1 1 A 3 3 MET CA C -2 55.444 53.557 1.887 1
1 22 . 21 1 1 A 3 3 MET CB C -2 34.277 36.379 -2.102 1
1 25 . 21 1 1 A 3 3 MET N N -2 125.628 114.682 10.946 1
1 43 . 21 1 1 A 6 6 PRO HA H 250 4.591 4.582 0.009 1
1 50 . 21 1 1 A 6 6 PRO C C 250 175.444 175.671 -0.227 1
1 51 . 21 1 1 A 6 6 PRO CA C 250 61.829 62.456 -0.627 1
1 52 . 21 1 1 A 6 6 PRO CB C 250 32.464 32.795 -0.331 1
1 55 . 21 1 1 A 7 7 ARG H H 251 7.588 8.821 -1.233 1
1 56 . 21 1 1 A 7 7 ARG HA H 251 4.078 4.777 -0.699 1
1 64 . 21 1 1 A 7 7 ARG C C 251 175.065 174.611 0.454 1
1 65 . 21 1 1 A 7 7 ARG CA C 251 54.552 54.995 -0.443 1
1 66 . 21 1 1 A 7 7 ARG CB C 251 33.587 34.340 -0.753 1
1 69 . 21 1 1 A 7 7 ARG N N 251 124.900 121.009 3.891 1
1 71 . 21 1 1 A 8 8 PHE H H 252 8.893 9.109 -0.216 1
1 72 . 21 1 1 A 8 8 PHE HA H 252 4.708 4.535 0.173 1
1 80 . 21 1 1 A 8 8 PHE CA C 252 59.744 56.690 3.054 1
1 81 . 21 1 1 A 8 8 PHE CB C 252 39.263 36.847 2.416 1
1 85 . 21 1 1 A 8 8 PHE N N 252 128.828 122.039 6.789 1
1 86 . 21 1 1 A 9 9 ILE H H 253 8.223 8.136 0.087 1
1 87 . 21 1 1 A 9 9 ILE HA H 253 4.090 4.328 -0.238 1
1 97 . 21 1 1 A 9 9 ILE C C 253 175.698 175.689 0.009 1
1 98 . 21 1 1 A 9 9 ILE CA C 253 61.230 61.058 0.172 1
1 99 . 21 1 1 A 9 9 ILE CB C 253 39.165 38.415 0.750 1
1 103 . 21 1 1 A 9 9 ILE N N 253 128.239 124.152 4.087 1
1 104 . 21 1 1 A 10 10 GLN H H 254 7.437 8.047 -0.610 1
1 105 . 21 1 1 A 10 10 GLN HA H 254 4.450 4.255 0.195 1
1 112 . 21 1 1 A 10 10 GLN C C 254 174.149 175.242 -1.093 1
1 113 . 21 1 1 A 10 10 GLN CA C 254 56.197 56.727 -0.530 1
1 114 . 21 1 1 A 10 10 GLN CB C 254 32.367 29.102 3.265 1
1 116 . 21 1 1 A 10 10 GLN N N 254 127.323 123.232 4.091 1
1 118 . 21 1 1 A 11 11 VAL H H 255 8.283 8.455 -0.172 1
1 119 . 21 1 1 A 11 11 VAL HA H 255 4.185 4.293 -0.108 1
1 127 . 21 1 1 A 11 11 VAL CA C 255 57.931 60.596 -2.665 1
1 128 . 21 1 1 A 11 11 VAL CB C 255 33.230 32.313 0.917 1
1 131 . 21 1 1 A 11 11 VAL N N 255 126.734 123.401 3.333 1
1 132 . 21 1 1 A 12 12 PRO HA H 256 4.538 4.411 0.127 1
1 139 . 21 1 1 A 12 12 PRO CA C 256 62.209 62.069 0.140 1
1 140 . 21 1 1 A 12 12 PRO CB C 256 31.724 32.109 -0.385 1
1 143 . 21 1 1 A 13 13 GLU H H 257 7.870 8.509 -0.639 1
1 144 . 21 1 1 A 13 13 GLU HA H 257 4.257 4.453 -0.196 1
1 149 . 21 1 1 A 13 13 GLU CA C 257 54.764 56.213 -1.449 1
1 150 . 21 1 1 A 13 13 GLU CB C 257 31.690 30.555 1.135 1
1 152 . 21 1 1 A 13 13 GLU N N 257 124.369 120.478 3.891 1
1 153 . 21 1 1 A 14 14 ASN H H 258 8.133 8.623 -0.490 1
1 154 . 21 1 1 A 14 14 ASN HA H 258 4.639 4.797 -0.158 1
1 159 . 21 1 1 A 14 14 ASN CA C 258 54.285 53.084 1.201 1
1 160 . 21 1 1 A 14 14 ASN CB C 258 38.023 38.988 -0.965 1
1 161 . 21 1 1 A 14 14 ASN N N 258 123.151 120.343 2.808 1
1 163 . 21 1 1 A 15 15 MET H H 259 8.295 8.710 -0.415 1
1 164 . 21 1 1 A 15 15 MET HA H 259 4.695 5.250 -0.555 1
1 172 . 21 1 1 A 15 15 MET C C 259 174.675 173.891 0.784 1
1 173 . 21 1 1 A 15 15 MET CA C 259 55.153 53.815 1.338 1
1 174 . 21 1 1 A 15 15 MET CB C 259 38.064 37.327 0.737 1
1 177 . 21 1 1 A 15 15 MET N N 259 125.442 120.161 5.281 1
1 178 . 21 1 1 A 16 16 SER H H 260 8.332 8.813 -0.481 1
1 179 . 21 1 1 A 16 16 SER HA H 260 5.261 5.408 -0.147 1
1 182 . 21 1 1 A 16 16 SER C C 260 172.889 172.709 0.180 1
1 183 . 21 1 1 A 16 16 SER CA C 260 56.748 57.053 -0.305 1
1 184 . 21 1 1 A 16 16 SER CB C 260 64.170 64.213 -0.043 1
1 185 . 21 1 1 A 16 16 SER N N 260 125.417 114.178 11.239 1
1 186 . 21 1 1 A 17 17 ILE H H 261 8.394 8.754 -0.360 1
1 187 . 21 1 1 A 17 17 ILE HA H 261 4.366 4.524 -0.158 1
1 197 . 21 1 1 A 17 17 ILE C C 261 173.465 175.215 -1.750 1
1 198 . 21 1 1 A 17 17 ILE CA C 261 57.461 60.175 -2.714 1
1 199 . 21 1 1 A 17 17 ILE CB C 261 41.882 40.001 1.881 1
1 203 . 21 1 1 A 17 17 ILE N N 261 131.680 126.694 4.986 1
1 204 . 21 1 1 A 18 18 ASP H H 262 8.043 8.746 -0.703 1
1 205 . 21 1 1 A 18 18 ASP HA H 262 4.498 4.678 -0.180 1
1 208 . 21 1 1 A 18 18 ASP C C 262 174.970 175.808 -0.838 1
1 209 . 21 1 1 A 18 18 ASP CA C 262 54.962 54.748 0.214 1
1 210 . 21 1 1 A 18 18 ASP CB C 262 41.518 40.974 0.544 1
1 211 . 21 1 1 A 18 18 ASP N N 262 132.455 127.117 5.338 1
1 212 . 21 1 1 A 19 19 GLU H H 263 8.058 8.854 -0.796 1
1 213 . 21 1 1 A 19 19 GLU HA H 263 3.322 3.893 -0.571 1
1 218 . 21 1 1 A 19 19 GLU C C 263 176.656 177.315 -0.659 1
1 219 . 21 1 1 A 19 19 GLU CA C 263 58.351 58.255 0.096 1
1 220 . 21 1 1 A 19 19 GLU CB C 263 29.716 29.297 0.419 1
1 222 . 21 1 1 A 19 19 GLU N N 263 126.424 124.985 1.439 1
1 223 . 21 1 1 A 20 20 GLY H H 264 9.131 9.156 -0.025 1
1 224 . 21 1 1 A 20 20 GLY HA2 H 264 3.366 3.985 -0.619 1
1 225 . 21 1 1 A 20 20 GLY HA3 H 264 4.196 3.988 0.208 1
1 226 . 21 1 1 A 20 20 GLY C C 264 174.582 174.752 -0.170 1
1 227 . 21 1 1 A 20 20 GLY CA C 264 44.837 45.048 -0.211 1
1 228 . 21 1 1 A 20 20 GLY N N 264 119.124 114.880 4.244 1
1 229 . 21 1 1 A 21 21 ARG H H 265 7.192 7.447 -0.255 1
1 230 . 21 1 1 A 21 21 ARG HA H 265 4.377 4.427 -0.050 1
1 238 . 21 1 1 A 21 21 ARG C C 265 174.091 175.818 -1.727 1
1 239 . 21 1 1 A 21 21 ARG CA C 265 55.263 55.926 -0.663 1
1 240 . 21 1 1 A 21 21 ARG CB C 265 31.467 31.718 -0.251 1
1 243 . 21 1 1 A 21 21 ARG N N 265 126.182 120.378 5.804 1
1 245 . 21 1 1 A 22 22 PHE H H 266 7.699 8.884 -1.185 1
1 246 . 21 1 1 A 22 22 PHE HA H 266 4.688 4.968 -0.280 1
1 254 . 21 1 1 A 22 22 PHE C C 266 175.911 174.789 1.122 1
1 255 . 21 1 1 A 22 22 PHE CA C 266 57.132 59.122 -1.990 1
1 256 . 21 1 1 A 22 22 PHE CB C 266 41.270 40.139 1.131 1
1 260 . 21 1 1 A 22 22 PHE N N 266 127.111 123.069 4.042 1
1 261 . 21 1 1 A 23 23 CYS H H 267 8.140 8.396 -0.256 1
1 262 . 21 1 1 A 23 23 CYS HA H 267 4.282 5.130 -0.848 1
1 265 . 21 1 1 A 23 23 CYS C C 267 170.233 172.771 -2.538 1
1 266 . 21 1 1 A 23 23 CYS CA C 267 57.626 56.384 1.242 1
1 267 . 21 1 1 A 23 23 CYS CB C 267 30.411 32.045 -1.634 1
1 268 . 21 1 1 A 23 23 CYS N N 267 130.194 124.471 5.723 1
1 269 . 21 1 1 A 24 24 ARG H H 268 8.160 8.947 -0.787 1
1 270 . 21 1 1 A 24 24 ARG HA H 268 5.167 5.245 -0.078 1
1 278 . 21 1 1 A 24 24 ARG CA C 268 53.910 53.988 -0.078 1
1 279 . 21 1 1 A 24 24 ARG CB C 268 35.114 34.530 0.584 1
1 283 . 21 1 1 A 25 25 MET H H 269 8.839 8.746 0.093 1
1 284 . 21 1 1 A 25 25 MET HA H 269 4.518 5.314 -0.796 1
1 292 . 21 1 1 A 25 25 MET C C 269 174.090 174.154 -0.064 1
1 293 . 21 1 1 A 25 25 MET CA C 269 54.960 53.727 1.233 1
1 294 . 21 1 1 A 25 25 MET CB C 269 35.645 37.295 -1.650 1
1 297 . 21 1 1 A 25 25 MET N N 269 127.757 119.209 8.548 1
1 298 . 21 1 1 A 26 26 ASP H H 270 8.473 8.905 -0.432 1
1 299 . 21 1 1 A 26 26 ASP HA H 270 5.772 5.404 0.368 1
1 302 . 21 1 1 A 26 26 ASP CA C 270 53.157 53.359 -0.202 1
1 303 . 21 1 1 A 26 26 ASP CB C 270 43.595 42.439 1.156 1
1 304 . 21 1 1 A 26 26 ASP N N 270 129.880 120.638 9.242 1
1 305 . 21 1 1 A 27 27 PHE H H 271 9.180 9.208 -0.028 1
1 306 . 21 1 1 A 27 27 PHE HA H 271 5.014 5.187 -0.173 1
1 314 . 21 1 1 A 27 27 PHE CA C 271 55.904 56.384 -0.480 1
1 317 . 21 1 1 A 27 27 PHE N N 271 123.116 123.913 -0.797 1
1 318 . 21 1 1 A 28 28 LYS H H 272 9.221 8.627 0.594 1
1 327 . 21 1 1 A 28 28 LYS CA C 272 59.294 57.244 2.050 1
1 328 . 21 1 1 A 28 28 LYS CB C 272 38.090 33.362 4.728 1
1 332 . 21 1 1 A 28 28 LYS N N 272 131.321 125.289 6.032 1
1 333 . 21 1 1 A 29 29 VAL H H 273 8.304 8.544 -0.240 1
1 334 . 21 1 1 A 29 29 VAL HA H 273 4.331 4.922 -0.591 1
1 342 . 21 1 1 A 29 29 VAL C C 273 175.240 173.449 1.791 1
1 343 . 21 1 1 A 29 29 VAL CA C 273 61.020 59.714 1.306 1
1 344 . 21 1 1 A 29 29 VAL CB C 273 33.889 35.603 -1.714 1
1 347 . 21 1 1 A 30 30 SER H H 274 8.545 8.875 -0.330 1
1 348 . 21 1 1 A 30 30 SER HA H 274 4.647 4.901 -0.254 1
1 351 . 21 1 1 A 30 30 SER C C 274 172.993 173.136 -0.143 1
1 352 . 21 1 1 A 30 30 SER CA C 274 56.505 56.561 -0.056 1
1 353 . 21 1 1 A 30 30 SER CB C 274 65.805 65.347 0.458 1
1 354 . 21 1 1 A 30 30 SER N N 274 129.796 120.875 8.921 1
1 355 . 21 1 1 A 31 31 GLY H H 275 7.712 8.579 -0.867 1
1 356 . 21 1 1 A 31 31 GLY HA2 H 275 3.220 4.146 -0.926 1
1 357 . 21 1 1 A 31 31 GLY HA3 H 275 3.649 4.151 -0.502 1
1 358 . 21 1 1 A 31 31 GLY C C 275 170.984 171.883 -0.899 1
1 359 . 21 1 1 A 31 31 GLY CA C 275 45.099 44.170 0.929 1
1 360 . 21 1 1 A 31 31 GLY N N 275 115.009 111.419 3.590 1
1 361 . 21 1 1 A 32 32 LEU H H 276 7.668 8.318 -0.650 1
1 362 . 21 1 1 A 32 32 LEU HA H 276 4.301 4.928 -0.627 1
1 372 . 21 1 1 A 32 32 LEU C C 276 173.812 174.658 -0.846 1
1 373 . 21 1 1 A 32 32 LEU CA C 276 52.370 51.533 0.837 1
1 374 . 21 1 1 A 32 32 LEU CB C 276 45.554 46.037 -0.483 1
1 378 . 21 1 1 A 32 32 LEU N N 276 129.727 121.206 8.521 1
1 379 . 21 1 1 A 33 33 PRO HA H 277 4.416 4.595 -0.179 1
1 386 . 21 1 1 A 33 33 PRO CA C 277 62.576 62.374 0.202 1
1 387 . 21 1 1 A 33 33 PRO CB C 277 35.012 32.581 2.431 1
1 390 . 21 1 1 A 34 34 ALA H H 278 8.598 8.323 0.275 1
1 391 . 21 1 1 A 34 34 ALA HA H 278 4.153 4.283 -0.130 1
1 395 . 21 1 1 A 34 34 ALA CA C 278 50.822 50.706 0.116 1
1 396 . 21 1 1 A 34 34 ALA CB C 278 17.462 19.084 -1.622 1
1 397 . 21 1 1 A 34 34 ALA N N 278 131.518 124.413 7.105 1
1 398 . 21 1 1 A 35 35 PRO HA H 279 4.206 4.493 -0.287 1
1 405 . 21 1 1 A 35 35 PRO C C 279 175.701 175.938 -0.237 1
1 406 . 21 1 1 A 35 35 PRO CA C 279 62.628 62.456 0.172 1
1 407 . 21 1 1 A 35 35 PRO CB C 279 33.069 31.961 1.108 1
1 410 . 21 1 1 A 36 36 ASP H H 280 8.621 8.441 0.180 1
1 411 . 21 1 1 A 36 36 ASP HA H 280 4.659 4.728 -0.069 1
1 414 . 21 1 1 A 36 36 ASP C C 280 176.057 175.676 0.381 1
1 415 . 21 1 1 A 36 36 ASP CA C 280 54.307 54.088 0.219 1
1 416 . 21 1 1 A 36 36 ASP CB C 280 42.741 41.789 0.952 1
1 417 . 21 1 1 A 36 36 ASP N N 280 127.555 121.868 5.687 1
1 418 . 21 1 1 A 37 37 VAL H H 281 8.635 8.820 -0.185 1
1 419 . 21 1 1 A 37 37 VAL HA H 281 4.938 4.831 0.107 1
1 427 . 21 1 1 A 37 37 VAL CA C 281 61.135 60.675 0.460 1
1 428 . 21 1 1 A 37 37 VAL CB C 281 34.579 32.588 1.991 1
1 431 . 21 1 1 A 38 38 SER H H 282 8.591 8.510 0.081 1
1 432 . 21 1 1 A 38 38 SER HA H 282 4.518 4.668 -0.150 1
1 435 . 21 1 1 A 38 38 SER CA C 282 57.540 58.887 -1.347 1
1 436 . 21 1 1 A 38 38 SER CB C 282 66.530 63.355 3.175 1
1 437 . 21 1 1 A 38 38 SER N N 282 128.264 123.602 4.662 1
1 438 . 21 1 1 A 39 39 TRP H H 283 8.426 8.999 -0.573 1
1 439 . 21 1 1 A 39 39 TRP HA H 283 5.297 5.277 0.020 1
1 448 . 21 1 1 A 39 39 TRP CA C 283 56.298 56.428 -0.130 1
1 449 . 21 1 1 A 39 39 TRP CB C 283 33.153 31.593 1.560 1
1 455 . 21 1 1 A 39 39 TRP N N 283 127.698 128.388 -0.690 1
1 456 . 21 1 1 A 40 40 TYR H H 284 9.373 9.288 0.085 1
1 457 . 21 1 1 A 40 40 TYR HA H 284 4.903 5.395 -0.492 1
1 464 . 21 1 1 A 40 40 TYR C C 284 174.148 174.601 -0.453 1
1 465 . 21 1 1 A 40 40 TYR CA C 284 56.849 56.301 0.548 1
1 466 . 21 1 1 A 40 40 TYR CB C 284 42.754 43.354 -0.600 1
1 469 . 21 1 1 A 40 40 TYR N N 284 125.437 120.117 5.320 1
1 470 . 21 1 1 A 41 41 LEU H H 285 8.898 9.169 -0.271 1
1 471 . 21 1 1 A 41 41 LEU HA H 285 4.255 4.575 -0.320 1
1 481 . 21 1 1 A 41 41 LEU C C 285 176.606 175.466 1.140 1
1 482 . 21 1 1 A 41 41 LEU CA C 285 53.659 53.950 -0.291 1
1 483 . 21 1 1 A 41 41 LEU CB C 285 43.740 44.749 -1.009 1
1 487 . 21 1 1 A 41 41 LEU N N 285 129.512 122.572 6.940 1
1 488 . 21 1 1 A 42 42 ASN H H 286 9.454 9.432 0.022 1
1 489 . 21 1 1 A 42 42 ASN HA H 286 4.221 4.416 -0.195 1
1 494 . 21 1 1 A 42 42 ASN C C 286 175.692 175.281 0.411 1
1 495 . 21 1 1 A 42 42 ASN CA C 286 54.239 54.381 -0.142 1
1 496 . 21 1 1 A 42 42 ASN CB C 286 37.331 36.963 0.368 1
1 497 . 21 1 1 A 42 42 ASN N N 286 134.097 126.377 7.720 1
1 499 . 21 1 1 A 43 43 GLY H H 287 8.709 8.336 0.373 1
1 500 . 21 1 1 A 43 43 GLY HA2 H 287 3.356 3.973 -0.617 1
1 501 . 21 1 1 A 43 43 GLY HA3 H 287 3.995 3.985 0.010 1
1 502 . 21 1 1 A 43 43 GLY C C 287 173.786 174.555 -0.769 1
1 503 . 21 1 1 A 43 43 GLY CA C 287 45.450 45.125 0.325 1
1 504 . 21 1 1 A 43 43 GLY N N 287 108.807 104.985 3.822 1
1 505 . 21 1 1 A 44 44 ARG H H 288 7.902 7.618 0.284 1
1 506 . 21 1 1 A 44 44 ARG HA H 288 4.697 4.644 0.053 1
1 514 . 21 1 1 A 44 44 ARG C C 288 175.799 176.382 -0.583 1
1 515 . 21 1 1 A 44 44 ARG CA C 288 54.658 54.994 -0.336 1
1 516 . 21 1 1 A 44 44 ARG CB C 288 32.436 31.575 0.861 1
1 519 . 21 1 1 A 44 44 ARG N N 288 127.837 120.292 7.545 1
1 521 . 21 1 1 A 45 45 THR H H 289 8.539 8.636 -0.097 1
1 522 . 21 1 1 A 45 45 THR HA H 289 3.763 4.331 -0.568 1
1 527 . 21 1 1 A 45 45 THR C C 289 174.692 174.373 0.319 1
1 528 . 21 1 1 A 45 45 THR CA C 289 63.977 61.756 2.221 1
1 529 . 21 1 1 A 45 45 THR CB C 289 69.706 69.907 -0.201 1
1 531 . 21 1 1 A 45 45 THR N N 289 126.100 113.989 12.111 1
1 532 . 21 1 1 A 46 46 VAL H H 290 8.033 8.312 -0.279 1
1 533 . 21 1 1 A 46 46 VAL HA H 290 3.647 4.518 -0.871 1
1 541 . 21 1 1 A 46 46 VAL C C 290 174.672 175.438 -0.766 1
1 542 . 21 1 1 A 46 46 VAL CA C 290 62.458 61.428 1.030 1
1 543 . 21 1 1 A 46 46 VAL CB C 290 32.500 34.401 -1.901 1
1 546 . 21 1 1 A 46 46 VAL N N 290 134.795 121.378 13.417 1
1 547 . 21 1 1 A 47 47 GLN H H 291 8.124 8.620 -0.496 1
1 548 . 21 1 1 A 47 47 GLN HA H 291 4.281 4.328 -0.047 1
1 555 . 21 1 1 A 47 47 GLN C C 291 175.398 175.485 -0.087 1
1 556 . 21 1 1 A 47 47 GLN CA C 291 54.235 55.983 -1.748 1
1 557 . 21 1 1 A 47 47 GLN CB C 291 30.283 29.635 0.648 1
1 559 . 21 1 1 A 47 47 GLN N N 291 132.792 127.142 5.650 1
1 561 . 21 1 1 A 48 48 SER H H 292 8.280 8.544 -0.264 1
1 562 . 21 1 1 A 48 48 SER HA H 292 4.308 4.388 -0.080 1
1 565 . 21 1 1 A 48 48 SER C C 292 174.304 173.514 0.790 1
1 566 . 21 1 1 A 48 48 SER CA C 292 58.222 58.188 0.034 1
1 567 . 21 1 1 A 48 48 SER CB C 292 63.719 64.395 -0.676 1
1 568 . 21 1 1 A 48 48 SER N N 292 123.481 116.283 7.198 1
1 569 . 21 1 1 A 49 49 ASP H H 293 9.050 8.631 0.419 1
1 570 . 21 1 1 A 49 49 ASP HA H 293 4.482 5.049 -0.567 1
1 573 . 21 1 1 A 49 49 ASP C C 293 176.099 175.617 0.482 1
1 574 . 21 1 1 A 49 49 ASP CA C 293 53.668 52.993 0.675 1
1 575 . 21 1 1 A 49 49 ASP CB C 293 40.100 44.278 -4.178 1
1 576 . 21 1 1 A 49 49 ASP N N 293 131.157 121.435 9.722 1
1 577 . 21 1 1 A 50 50 ASP H H 294 8.324 8.882 -0.558 1
1 578 . 21 1 1 A 50 50 ASP HA H 294 4.167 4.254 -0.087 1
1 581 . 21 1 1 A 50 50 ASP C C 294 176.520 177.713 -1.193 1
1 582 . 21 1 1 A 50 50 ASP CA C 294 57.367 57.564 -0.197 1
1 583 . 21 1 1 A 50 50 ASP CB C 294 40.226 40.579 -0.353 1
1 584 . 21 1 1 A 50 50 ASP N N 294 122.206 124.804 -2.598 1
1 585 . 21 1 1 A 51 51 LEU H H 295 7.749 7.692 0.057 1
1 586 . 21 1 1 A 51 51 LEU HA H 295 4.281 4.065 0.216 1
1 596 . 21 1 1 A 51 51 LEU C C 295 175.716 176.460 -0.744 1
1 597 . 21 1 1 A 51 51 LEU CA C 295 54.407 55.864 -1.457 1
1 598 . 21 1 1 A 51 51 LEU CB C 295 43.849 42.217 1.632 1
1 602 . 21 1 1 A 51 51 LEU N N 295 121.836 117.983 3.853 1
1 603 . 21 1 1 A 52 52 HIS H H 296 7.548 7.500 0.048 1
1 604 . 21 1 1 A 52 52 HIS HA H 296 5.091 4.794 0.297 1
1 609 . 21 1 1 A 52 52 HIS C C 296 172.683 173.892 -1.209 1
1 610 . 21 1 1 A 52 52 HIS CA C 296 54.900 53.816 1.084 1
1 611 . 21 1 1 A 52 52 HIS CB C 296 28.894 29.235 -0.341 1
1 614 . 21 1 1 A 52 52 HIS N N 296 126.326 115.752 10.574 1
1 615 . 21 1 1 A 53 53 LYS H H 297 8.515 8.480 0.035 1
1 616 . 21 1 1 A 53 53 LYS HA H 297 4.608 4.274 0.334 1
1 625 . 21 1 1 A 53 53 LYS C C 297 174.797 175.474 -0.677 1
1 626 . 21 1 1 A 53 53 LYS CA C 297 54.303 56.856 -2.553 1
1 627 . 21 1 1 A 53 53 LYS CB C 297 35.705 33.235 2.470 1
1 631 . 21 1 1 A 53 53 LYS N N 297 127.067 122.165 4.902 1
1 632 . 21 1 1 A 54 54 MET H H 298 8.379 8.894 -0.515 1
1 633 . 21 1 1 A 54 54 MET HA H 298 5.091 5.049 0.042 1
1 641 . 21 1 1 A 54 54 MET CA C 298 55.427 54.530 0.897 1
1 642 . 21 1 1 A 54 54 MET CB C 298 34.100 34.928 -0.828 1
1 645 . 21 1 1 A 54 54 MET N N 298 128.992 121.016 7.976 1
1 646 . 21 1 1 A 55 55 ILE H H 299 8.279 8.595 -0.316 1
1 647 . 21 1 1 A 55 55 ILE HA H 299 4.602 5.233 -0.631 1
1 657 . 21 1 1 A 55 55 ILE CA C 299 59.130 59.177 -0.047 1
1 658 . 21 1 1 A 55 55 ILE CB C 299 42.747 42.334 0.413 1
1 662 . 21 1 1 A 56 56 VAL H H 300 9.227 8.854 0.373 1
1 663 . 21 1 1 A 56 56 VAL HA H 300 4.912 5.009 -0.097 1
1 671 . 21 1 1 A 56 56 VAL CA C 300 59.226 59.933 -0.707 1
1 672 . 21 1 1 A 56 56 VAL CB C 300 36.406 34.973 1.433 1
1 675 . 21 1 1 A 57 57 SER H H 301 8.794 8.923 -0.129 1
1 676 . 21 1 1 A 57 57 SER HA H 301 4.575 4.506 0.069 1
1 679 . 21 1 1 A 57 57 SER CA C 301 56.558 58.739 -2.181 1
1 680 . 21 1 1 A 57 57 SER CB C 301 65.617 63.577 2.040 1
1 681 . 21 1 1 A 57 57 SER N N 301 128.893 124.088 4.805 1
1 682 . 21 1 1 A 58 58 GLU HA H 302 4.013 4.013 0.000 1
1 687 . 21 1 1 A 58 58 GLU CA C 302 58.165 59.719 -1.554 1
1 688 . 21 1 1 A 58 58 GLU CB C 302 29.508 29.403 0.105 1
1 690 . 21 1 1 A 59 59 LYS HA H 303 4.114 4.326 -0.212 1
1 699 . 21 1 1 A 59 59 LYS C C 303 176.755 176.753 0.002 1
1 700 . 21 1 1 A 59 59 LYS CA C 303 55.913 55.959 -0.046 1
1 701 . 21 1 1 A 59 59 LYS CB C 303 31.679 32.793 -1.114 1
1 705 . 21 1 1 A 60 60 GLY H H 304 7.813 8.487 -0.674 1
1 706 . 21 1 1 A 60 60 GLY HA2 H 304 4.037 3.970 0.067 1
1 707 . 21 1 1 A 60 60 GLY HA3 H 304 3.411 3.978 -0.567 1
1 708 . 21 1 1 A 60 60 GLY C C 304 173.480 174.047 -0.567 1
1 709 . 21 1 1 A 60 60 GLY CA C 304 45.955 46.401 -0.446 1
1 710 . 21 1 1 A 60 60 GLY N N 304 113.597 107.493 6.104 1
1 711 . 21 1 1 A 61 61 LEU H H 305 7.253 7.733 -0.480 1
1 712 . 21 1 1 A 61 61 LEU HA H 305 4.396 4.957 -0.561 1
1 722 . 21 1 1 A 61 61 LEU CA C 305 54.825 54.045 0.780 1
1 723 . 21 1 1 A 61 61 LEU CB C 305 43.099 44.713 -1.614 1
1 727 . 21 1 1 A 61 61 LEU N N 305 128.081 120.780 7.301 1
1 728 . 21 1 1 A 62 62 HIS H H 306 8.294 9.336 -1.042 1
1 733 . 21 1 1 A 62 62 HIS N N 306 130.344 128.014 2.330 1
1 734 . 21 1 1 A 63 63 SER HA H 307 5.980 4.956 1.024 1
1 737 . 21 1 1 A 63 63 SER CA C 307 57.517 58.264 -0.747 1
1 738 . 21 1 1 A 63 63 SER CB C 307 66.760 64.604 2.156 1
1 739 . 21 1 1 A 64 64 LEU H H 308 8.827 8.189 0.638 1
1 740 . 21 1 1 A 64 64 LEU HA H 308 4.657 4.504 0.153 1
1 750 . 21 1 1 A 64 64 LEU C C 308 174.337 174.714 -0.377 1
1 751 . 21 1 1 A 64 64 LEU CA C 308 54.386 54.058 0.328 1
1 752 . 21 1 1 A 64 64 LEU CB C 308 42.678 44.980 -2.302 1
1 756 . 21 1 1 A 65 65 ILE H H 309 9.009 8.819 0.190 1
1 757 . 21 1 1 A 65 65 ILE HA H 309 3.880 4.728 -0.848 1
1 767 . 21 1 1 A 65 65 ILE C C 309 173.963 174.886 -0.923 1
1 768 . 21 1 1 A 65 65 ILE CA C 309 60.296 59.908 0.388 1
1 769 . 21 1 1 A 65 65 ILE CB C 309 40.727 40.744 -0.017 1
1 773 . 21 1 1 A 65 65 ILE N N 309 133.046 127.565 5.481 1
1 774 . 21 1 1 A 66 66 PHE H H 310 8.508 8.613 -0.105 1
1 775 . 21 1 1 A 66 66 PHE HA H 310 4.367 4.932 -0.565 1
1 783 . 21 1 1 A 66 66 PHE C C 310 174.555 175.536 -0.981 1
1 784 . 21 1 1 A 66 66 PHE CA C 310 54.878 56.000 -1.122 1
1 785 . 21 1 1 A 66 66 PHE CB C 310 38.819 40.555 -1.736 1
1 789 . 21 1 1 A 66 66 PHE N N 310 132.294 123.809 8.485 1
1 790 . 21 1 1 A 67 67 GLU H H 311 7.879 8.723 -0.844 1
1 791 . 21 1 1 A 67 67 GLU HA H 311 4.025 4.369 -0.344 1
1 796 . 21 1 1 A 67 67 GLU C C 311 177.819 177.244 0.575 1
1 797 . 21 1 1 A 67 67 GLU CA C 311 59.266 59.331 -0.065 1
1 798 . 21 1 1 A 67 67 GLU CB C 311 30.421 30.586 -0.165 1
1 800 . 21 1 1 A 67 67 GLU N N 311 127.092 124.241 2.851 1
1 801 . 21 1 1 A 68 68 VAL H H 312 7.428 7.622 -0.194 1
1 802 . 21 1 1 A 68 68 VAL HA H 312 3.402 4.390 -0.988 1
1 810 . 21 1 1 A 68 68 VAL C C 312 173.921 174.271 -0.350 1
1 811 . 21 1 1 A 68 68 VAL CA C 312 61.444 61.234 0.210 1
1 812 . 21 1 1 A 68 68 VAL CB C 312 34.790 32.226 2.564 1
1 815 . 21 1 1 A 68 68 VAL N N 312 120.315 116.847 3.468 1
1 816 . 21 1 1 A 69 69 VAL H H 313 8.233 8.599 -0.366 1
1 817 . 21 1 1 A 69 69 VAL HA H 313 3.829 4.073 -0.244 1
1 825 . 21 1 1 A 69 69 VAL C C 313 175.123 175.141 -0.018 1
1 826 . 21 1 1 A 69 69 VAL CA C 313 63.200 62.775 0.425 1
1 827 . 21 1 1 A 69 69 VAL CB C 313 32.836 32.482 0.354 1
1 830 . 21 1 1 A 69 69 VAL N N 313 132.928 128.086 4.842 1
1 831 . 21 1 1 A 70 70 ARG H H 314 9.259 8.958 0.301 1
1 832 . 21 1 1 A 70 70 ARG HA H 314 4.776 4.713 0.063 1
1 839 . 21 1 1 A 70 70 ARG C C 314 177.491 176.868 0.623 1
1 840 . 21 1 1 A 70 70 ARG CA C 314 53.728 54.128 -0.400 1
1 841 . 21 1 1 A 70 70 ARG CB C 314 34.282 32.780 1.502 1
1 844 . 21 1 1 A 70 70 ARG N N 314 133.209 127.584 5.625 1
1 845 . 21 1 1 A 71 71 ALA H H 315 9.059 9.066 -0.007 1
1 846 . 21 1 1 A 71 71 ALA HA H 315 3.676 3.986 -0.310 1
1 850 . 21 1 1 A 71 71 ALA C C 315 180.122 179.427 0.695 1
1 851 . 21 1 1 A 71 71 ALA CA C 315 56.356 55.118 1.238 1
1 852 . 21 1 1 A 71 71 ALA CB C 315 17.923 18.406 -0.483 1
1 853 . 21 1 1 A 71 71 ALA N N 315 131.839 124.484 7.355 1
1 854 . 21 1 1 A 72 72 SER H H 316 7.735 8.322 -0.587 1
1 855 . 21 1 1 A 72 72 SER HA H 316 4.046 4.228 -0.182 1
1 858 . 21 1 1 A 72 72 SER C C 316 175.495 175.044 0.451 1
1 859 . 21 1 1 A 72 72 SER CA C 316 60.037 61.064 -1.027 1
1 860 . 21 1 1 A 72 72 SER CB C 316 62.381 62.613 -0.232 1
1 861 . 21 1 1 A 72 72 SER N N 316 115.841 112.196 3.645 1
1 862 . 21 1 1 A 73 73 ASP H H 317 8.175 7.900 0.275 1
1 863 . 21 1 1 A 73 73 ASP HA H 317 4.644 4.739 -0.095 1
1 866 . 21 1 1 A 73 73 ASP C C 317 176.176 176.146 0.030 1
1 867 . 21 1 1 A 73 73 ASP CA C 317 55.305 54.806 0.499 1
1 868 . 21 1 1 A 73 73 ASP CB C 317 42.572 41.376 1.196 1
1 869 . 21 1 1 A 73 73 ASP N N 317 126.327 120.116 6.211 1
1 870 . 21 1 1 A 74 74 ALA H H 318 7.339 6.919 0.420 1
1 871 . 21 1 1 A 74 74 ALA HA H 318 4.013 4.273 -0.260 1
1 875 . 21 1 1 A 74 74 ALA C C 318 176.813 177.212 -0.399 1
1 876 . 21 1 1 A 74 74 ALA CA C 318 53.570 53.068 0.502 1
1 877 . 21 1 1 A 74 74 ALA CB C 318 20.548 20.209 0.339 1
1 878 . 21 1 1 A 74 74 ALA N N 318 127.859 121.793 6.066 1
1 879 . 21 1 1 A 75 75 GLY H H 319 8.797 8.847 -0.050 1
1 880 . 21 1 1 A 75 75 GLY HA2 H 319 3.599 4.093 -0.494 1
1 881 . 21 1 1 A 75 75 GLY HA3 H 319 4.239 4.154 0.085 1
1 882 . 21 1 1 A 75 75 GLY C C 319 170.102 171.962 -1.860 1
1 883 . 21 1 1 A 75 75 GLY CA C 319 45.105 44.339 0.766 1
1 884 . 21 1 1 A 75 75 GLY N N 319 114.261 107.148 7.113 1
1 885 . 21 1 1 A 76 76 ALA H H 320 7.621 8.112 -0.491 1
1 886 . 21 1 1 A 76 76 ALA HA H 320 4.521 4.734 -0.213 1
1 890 . 21 1 1 A 76 76 ALA C C 320 176.291 176.551 -0.260 1
1 891 . 21 1 1 A 76 76 ALA CA C 320 51.158 51.553 -0.395 1
1 892 . 21 1 1 A 76 76 ALA CB C 320 19.242 19.362 -0.120 1
1 893 . 21 1 1 A 76 76 ALA N N 320 129.042 122.926 6.116 1
1 894 . 21 1 1 A 77 77 TYR H H 321 9.406 8.994 0.412 1
1 895 . 21 1 1 A 77 77 TYR HA H 321 5.237 5.237 0.000 1
1 903 . 21 1 1 A 77 77 TYR C C 321 175.676 175.903 -0.227 1
1 904 . 21 1 1 A 77 77 TYR CA C 321 57.779 57.946 -0.167 1
1 905 . 21 1 1 A 77 77 TYR CB C 321 40.623 40.277 0.346 1
1 908 . 21 1 1 A 77 77 TYR N N 321 132.635 123.855 8.780 1
1 909 . 21 1 1 A 78 78 ALA H H 322 9.084 8.965 0.119 1
1 910 . 21 1 1 A 78 78 ALA HA H 322 5.031 5.316 -0.285 1
1 914 . 21 1 1 A 78 78 ALA CA C 322 50.120 51.382 -1.262 1
1 915 . 21 1 1 A 78 78 ALA CB C 322 21.653 24.218 -2.565 1
1 916 . 21 1 1 A 78 78 ALA N N 322 130.291 122.295 7.996 1
1 917 . 21 1 1 A 79 79 CYS H H 323 7.932 8.876 -0.944 1
1 918 . 21 1 1 A 79 79 CYS HA H 323 4.037 4.932 -0.895 1
1 919 . 21 1 1 A 79 79 CYS C C 323 173.727 173.122 0.605 1
1 920 . 21 1 1 A 79 79 CYS CA C 323 56.345 57.196 -0.851 1
1 921 . 21 1 1 A 80 80 VAL H H 324 8.671 8.965 -0.294 1
1 922 . 21 1 1 A 80 80 VAL HA H 324 4.596 4.550 0.046 1
1 930 . 21 1 1 A 80 80 VAL C C 324 174.904 174.706 0.198 1
1 931 . 21 1 1 A 80 80 VAL CA C 324 60.907 61.597 -0.690 1
1 932 . 21 1 1 A 80 80 VAL CB C 324 34.334 33.682 0.652 1
1 934 . 21 1 1 A 80 80 VAL N N 324 135.079 125.794 9.285 1
1 935 . 21 1 1 A 81 81 ALA H H 325 9.107 8.855 0.252 1
1 936 . 21 1 1 A 81 81 ALA HA H 325 5.220 5.079 0.141 1
1 940 . 21 1 1 A 81 81 ALA C C 325 175.446 176.774 -1.328 1
1 941 . 21 1 1 A 81 81 ALA CA C 325 49.197 51.177 -1.980 1
1 942 . 21 1 1 A 81 81 ALA CB C 325 22.479 20.054 2.425 1
1 943 . 21 1 1 A 81 81 ALA N N 325 136.369 131.236 5.133 1
1 944 . 21 1 1 A 82 82 LYS H H 326 8.734 8.925 -0.191 1
1 945 . 21 1 1 A 82 82 LYS HA H 326 5.021 5.153 -0.132 1
1 954 . 21 1 1 A 82 82 LYS C C 326 175.054 175.391 -0.337 1
1 955 . 21 1 1 A 82 82 LYS CA C 326 55.451 54.619 0.832 1
1 956 . 21 1 1 A 82 82 LYS CB C 326 37.852 35.849 2.003 1
1 960 . 21 1 1 A 82 82 LYS N N 326 128.038 122.882 5.156 1
1 961 . 21 1 1 A 83 83 ASN H H 327 8.949 8.669 0.280 1
1 962 . 21 1 1 A 83 83 ASN HA H 327 4.624 5.109 -0.485 1
1 967 . 21 1 1 A 83 83 ASN C C 327 176.409 175.630 0.779 1
1 968 . 21 1 1 A 83 83 ASN CA C 327 51.838 51.293 0.545 1
1 969 . 21 1 1 A 83 83 ASN CB C 327 40.927 39.798 1.129 1
1 970 . 21 1 1 A 83 83 ASN N N 327 128.769 121.576 7.193 1
1 972 . 21 1 1 A 84 84 ARG H H 328 8.203 9.118 -0.915 1
1 973 . 21 1 1 A 84 84 ARG HA H 328 3.917 4.083 -0.166 1
1 981 . 21 1 1 A 84 84 ARG C C 328 175.820 176.089 -0.269 1
1 982 . 21 1 1 A 84 84 ARG CA C 328 58.250 58.235 0.015 1
1 983 . 21 1 1 A 84 84 ARG CB C 328 29.985 29.653 0.332 1
1 986 . 21 1 1 A 84 84 ARG N N 328 121.021 117.821 3.200 1
1 988 . 21 1 1 A 85 85 ALA H H 329 7.599 8.076 -0.477 1
1 989 . 21 1 1 A 85 85 ALA HA H 329 4.279 4.491 -0.212 1
1 993 . 21 1 1 A 85 85 ALA C C 329 177.261 176.917 0.344 1
1 994 . 21 1 1 A 85 85 ALA CA C 329 51.905 52.003 -0.098 1
1 995 . 21 1 1 A 85 85 ALA CB C 329 19.637 20.518 -0.881 1
1 996 . 21 1 1 A 85 85 ALA N N 329 125.074 121.269 3.805 1
1 997 . 21 1 1 A 86 86 GLY H H 330 7.624 7.105 0.519 1
1 998 . 21 1 1 A 86 86 GLY HA2 H 330 3.806 4.066 -0.260 1
1 999 . 21 1 1 A 86 86 GLY HA3 H 330 4.164 4.066 0.098 1
1 1000 . 21 1 1 A 86 86 GLY C C 330 169.646 170.868 -1.222 1
1 1001 . 21 1 1 A 86 86 GLY CA C 330 46.012 45.951 0.061 1
1 1002 . 21 1 1 A 86 86 GLY N N 330 112.891 103.497 9.394 1
1 1003 . 21 1 1 A 87 87 GLU H H 331 8.213 8.483 -0.270 1
1 1004 . 21 1 1 A 87 87 GLU HA H 331 5.274 5.350 -0.076 1
1 1009 . 21 1 1 A 87 87 GLU C C 331 174.418 174.614 -0.196 1
1 1010 . 21 1 1 A 87 87 GLU CA C 331 54.349 54.997 -0.648 1
1 1011 . 21 1 1 A 87 87 GLU CB C 331 34.615 33.532 1.083 1
1 1013 . 21 1 1 A 87 87 GLU N N 331 123.208 120.121 3.087 1
1 1014 . 21 1 1 A 88 88 ALA H H 332 8.897 8.836 0.061 1
1 1015 . 21 1 1 A 88 88 ALA HA H 332 4.569 4.476 0.093 1
1 1019 . 21 1 1 A 88 88 ALA C C 332 175.121 174.719 0.402 1
1 1020 . 21 1 1 A 88 88 ALA CA C 332 51.592 50.207 1.385 1
1 1021 . 21 1 1 A 88 88 ALA CB C 332 23.324 23.301 0.023 1
1 1022 . 21 1 1 A 88 88 ALA N N 332 131.757 126.190 5.567 1
1 1023 . 21 1 1 A 89 89 THR H H 333 8.521 7.419 1.102 1
1 1024 . 21 1 1 A 89 89 THR HA H 333 5.661 5.161 0.500 1
1 1029 . 21 1 1 A 89 89 THR C C 333 173.827 172.833 0.994 1
1 1030 . 21 1 1 A 89 89 THR CA C 333 60.601 60.766 -0.165 1
1 1031 . 21 1 1 A 89 89 THR CB C 333 72.140 72.166 -0.026 1
1 1033 . 21 1 1 A 89 89 THR N N 333 121.100 113.606 7.494 1
1 1034 . 21 1 1 A 90 90 PHE H H 334 8.603 8.985 -0.382 1
1 1035 . 21 1 1 A 90 90 PHE HA H 334 4.624 5.400 -0.776 1
1 1043 . 21 1 1 A 90 90 PHE CA C 334 56.618 56.137 0.481 1
1 1044 . 21 1 1 A 90 90 PHE CB C 334 42.489 43.614 -1.125 1
1 1048 . 21 1 1 A 91 91 THR H H 335 8.174 8.949 -0.775 1
1 1049 . 21 1 1 A 91 91 THR HA H 335 5.445 5.222 0.223 1
1 1054 . 21 1 1 A 91 91 THR CA C 335 60.110 61.480 -1.370 1
1 1055 . 21 1 1 A 91 91 THR CB C 335 71.671 72.362 -0.691 1
1 1057 . 21 1 1 A 92 92 VAL H H 336 9.158 8.938 0.220 1
1 1058 . 21 1 1 A 92 92 VAL HA H 336 4.432 4.886 -0.454 1
1 1066 . 21 1 1 A 92 92 VAL C C 336 171.594 173.376 -1.782 1
1 1067 . 21 1 1 A 92 92 VAL CA C 336 60.914 60.107 0.807 1
1 1068 . 21 1 1 A 92 92 VAL CB C 336 35.760 35.603 0.157 1
1 1071 . 21 1 1 A 92 92 VAL N N 336 130.220 122.006 8.214 1
1 1072 . 21 1 1 A 93 93 GLN H H 337 8.302 8.612 -0.310 1
1 1073 . 21 1 1 A 93 93 GLN HA H 337 4.756 5.370 -0.614 1
1 1080 . 21 1 1 A 93 93 GLN C C 337 174.009 173.296 0.713 1
1 1081 . 21 1 1 A 93 93 GLN CA C 337 54.672 54.407 0.265 1
1 1082 . 21 1 1 A 93 93 GLN CB C 337 30.071 32.726 -2.655 1
1 1084 . 21 1 1 A 93 93 GLN N N 337 133.412 125.584 7.828 1
1 1086 . 21 1 1 A 94 94 LEU H H 338 8.812 9.244 -0.432 1
1 1087 . 21 1 1 A 94 94 LEU HA H 338 4.836 4.883 -0.047 1
1 1097 . 21 1 1 A 94 94 LEU C C 338 175.099 174.918 0.181 1
1 1098 . 21 1 1 A 94 94 LEU CA C 338 53.725 53.889 -0.164 1
1 1099 . 21 1 1 A 94 94 LEU CB C 338 44.955 45.120 -0.165 1
1 1103 . 21 1 1 A 94 94 LEU N N 338 133.816 126.567 7.249 1
1 1104 . 21 1 1 A 95 95 ASP H H 339 8.747 8.920 -0.173 1
1 1105 . 21 1 1 A 95 95 ASP HA H 339 4.871 4.924 -0.053 1
1 1108 . 21 1 1 A 95 95 ASP C C 339 174.295 175.449 -1.154 1
1 1109 . 21 1 1 A 95 95 ASP CA C 339 53.311 54.339 -1.028 1
1 1110 . 21 1 1 A 95 95 ASP CB C 339 42.895 41.751 1.144 1
1 1111 . 21 1 1 A 95 95 ASP N N 339 134.770 127.153 7.617 1
1 1112 . 21 1 1 A 96 96 VAL H H 340 7.745 8.669 -0.924 1
1 1113 . 21 1 1 A 96 96 VAL HA H 340 4.653 4.575 0.078 1
1 1121 . 21 1 1 A 96 96 VAL C C 340 175.494 175.159 0.335 1
1 1122 . 21 1 1 A 96 96 VAL CA C 340 60.722 61.495 -0.773 1
1 1123 . 21 1 1 A 96 96 VAL CB C 340 33.852 34.112 -0.260 1
1 1126 . 21 1 1 A 96 96 VAL N N 340 128.328 122.644 5.684 1
1 1127 . 21 1 1 A 97 97 LEU H H 341 8.524 8.953 -0.429 1
1 1128 . 21 1 1 A 97 97 LEU HA H 341 4.243 4.486 -0.243 1
1 1138 . 21 1 1 A 97 97 LEU C C 341 176.052 176.732 -0.680 1
1 1139 . 21 1 1 A 97 97 LEU CA C 341 54.086 54.611 -0.525 1
1 1140 . 21 1 1 A 97 97 LEU CB C 341 41.446 41.063 0.383 1
1 1144 . 21 1 1 A 97 97 LEU N N 341 136.554 129.059 7.495 1
1 1145 . 21 1 1 A 98 98 ALA H H 342 8.344 8.664 -0.320 1
1 1146 . 21 1 1 A 98 98 ALA HA H 342 4.227 4.289 -0.062 1
1 1150 . 21 1 1 A 98 98 ALA C C 342 177.569 178.337 -0.768 1
1 1151 . 21 1 1 A 98 98 ALA CA C 342 51.964 52.294 -0.330 1
1 1152 . 21 1 1 A 98 98 ALA CB C 342 19.976 19.294 0.682 1
1 1153 . 21 1 1 A 98 98 ALA N N 342 134.558 128.400 6.158 1
1 1154 . 21 1 1 A 99 99 LYS H H 343 8.552 8.874 -0.322 1
1 1155 . 21 1 1 A 99 99 LYS HA H 343 4.119 4.036 0.083 1
1 1164 . 21 1 1 A 99 99 LYS C C 343 175.859 178.225 -2.366 1
1 1165 . 21 1 1 A 99 99 LYS CA C 343 56.453 59.672 -3.219 1
1 1166 . 21 1 1 A 99 99 LYS CB C 343 33.257 32.459 0.798 1
1 1170 . 21 1 1 A 99 99 LYS N N 343 128.906 121.725 7.181 1
1 4 . 22 1 1 A 2 2 ALA HA H -3 4.167 4.441 -0.274 1
1 8 . 22 1 1 A 2 2 ALA C C -3 177.254 176.989 0.265 1
1 9 . 22 1 1 A 2 2 ALA CA C -3 52.427 52.172 0.255 1
1 10 . 22 1 1 A 2 2 ALA CB C -3 19.740 19.974 -0.234 1
1 11 . 22 1 1 A 3 3 MET H H -2 8.135 8.671 -0.536 1
1 12 . 22 1 1 A 3 3 MET HA H -2 4.351 4.978 -0.627 1
1 20 . 22 1 1 A 3 3 MET C C -2 176.007 174.709 1.298 1
1 21 . 22 1 1 A 3 3 MET CA C -2 55.444 53.587 1.857 1
1 22 . 22 1 1 A 3 3 MET CB C -2 34.277 36.063 -1.786 1
1 25 . 22 1 1 A 3 3 MET N N -2 125.628 114.864 10.764 1
1 43 . 22 1 1 A 6 6 PRO HA H 250 4.591 4.577 0.014 1
1 50 . 22 1 1 A 6 6 PRO C C 250 175.444 175.477 -0.033 1
1 51 . 22 1 1 A 6 6 PRO CA C 250 61.829 62.691 -0.862 1
1 52 . 22 1 1 A 6 6 PRO CB C 250 32.464 32.931 -0.467 1
1 55 . 22 1 1 A 7 7 ARG H H 251 7.588 8.998 -1.410 1
1 56 . 22 1 1 A 7 7 ARG HA H 251 4.078 4.798 -0.720 1
1 64 . 22 1 1 A 7 7 ARG C C 251 175.065 174.495 0.570 1
1 65 . 22 1 1 A 7 7 ARG CA C 251 54.552 55.325 -0.773 1
1 66 . 22 1 1 A 7 7 ARG CB C 251 33.587 33.949 -0.362 1
1 69 . 22 1 1 A 7 7 ARG N N 251 124.900 122.082 2.818 1
1 71 . 22 1 1 A 8 8 PHE H H 252 8.893 8.997 -0.104 1
1 72 . 22 1 1 A 8 8 PHE HA H 252 4.708 4.880 -0.172 1
1 80 . 22 1 1 A 8 8 PHE CA C 252 59.744 57.334 2.410 1
1 81 . 22 1 1 A 8 8 PHE CB C 252 39.263 37.511 1.752 1
1 85 . 22 1 1 A 8 8 PHE N N 252 128.828 124.804 4.024 1
1 86 . 22 1 1 A 9 9 ILE H H 253 8.223 8.437 -0.214 1
1 87 . 22 1 1 A 9 9 ILE HA H 253 4.090 4.087 0.003 1
1 97 . 22 1 1 A 9 9 ILE C C 253 175.698 176.120 -0.422 1
1 98 . 22 1 1 A 9 9 ILE CA C 253 61.230 63.674 -2.444 1
1 99 . 22 1 1 A 9 9 ILE CB C 253 39.165 38.510 0.655 1
1 103 . 22 1 1 A 9 9 ILE N N 253 128.239 126.990 1.249 1
1 104 . 22 1 1 A 10 10 GLN H H 254 7.437 7.675 -0.238 1
1 105 . 22 1 1 A 10 10 GLN HA H 254 4.450 4.778 -0.328 1
1 112 . 22 1 1 A 10 10 GLN C C 254 174.149 174.111 0.038 1
1 113 . 22 1 1 A 10 10 GLN CA C 254 56.197 55.697 0.500 1
1 114 . 22 1 1 A 10 10 GLN CB C 254 32.367 32.448 -0.081 1
1 116 . 22 1 1 A 10 10 GLN N N 254 127.323 116.589 10.734 1
1 118 . 22 1 1 A 11 11 VAL H H 255 8.283 8.756 -0.473 1
1 119 . 22 1 1 A 11 11 VAL HA H 255 4.185 4.605 -0.420 1
1 127 . 22 1 1 A 11 11 VAL CA C 255 57.931 57.698 0.233 1
1 128 . 22 1 1 A 11 11 VAL CB C 255 33.230 34.369 -1.139 1
1 131 . 22 1 1 A 11 11 VAL N N 255 126.734 118.788 7.946 1
1 132 . 22 1 1 A 12 12 PRO HA H 256 4.538 4.405 0.133 1
1 139 . 22 1 1 A 12 12 PRO CA C 256 62.209 62.277 -0.068 1
1 140 . 22 1 1 A 12 12 PRO CB C 256 31.724 31.930 -0.206 1
1 143 . 22 1 1 A 13 13 GLU H H 257 7.870 8.319 -0.449 1
1 144 . 22 1 1 A 13 13 GLU HA H 257 4.257 4.343 -0.086 1
1 149 . 22 1 1 A 13 13 GLU CA C 257 54.764 55.711 -0.947 1
1 150 . 22 1 1 A 13 13 GLU CB C 257 31.690 30.434 1.256 1
1 152 . 22 1 1 A 13 13 GLU N N 257 124.369 119.033 5.336 1
1 153 . 22 1 1 A 14 14 ASN H H 258 8.133 8.622 -0.489 1
1 154 . 22 1 1 A 14 14 ASN HA H 258 4.639 4.784 -0.145 1
1 159 . 22 1 1 A 14 14 ASN CA C 258 54.285 53.439 0.846 1
1 160 . 22 1 1 A 14 14 ASN CB C 258 38.023 38.903 -0.880 1
1 161 . 22 1 1 A 14 14 ASN N N 258 123.151 118.019 5.132 1
1 163 . 22 1 1 A 15 15 MET H H 259 8.295 8.959 -0.664 1
1 164 . 22 1 1 A 15 15 MET HA H 259 4.695 5.273 -0.578 1
1 172 . 22 1 1 A 15 15 MET C C 259 174.675 174.299 0.376 1
1 173 . 22 1 1 A 15 15 MET CA C 259 55.153 53.919 1.234 1
1 174 . 22 1 1 A 15 15 MET CB C 259 38.064 37.345 0.719 1
1 177 . 22 1 1 A 15 15 MET N N 259 125.442 120.208 5.234 1
1 178 . 22 1 1 A 16 16 SER H H 260 8.332 8.769 -0.437 1
1 179 . 22 1 1 A 16 16 SER HA H 260 5.261 5.524 -0.263 1
1 182 . 22 1 1 A 16 16 SER C C 260 172.889 173.299 -0.410 1
1 183 . 22 1 1 A 16 16 SER CA C 260 56.748 57.315 -0.567 1
1 184 . 22 1 1 A 16 16 SER CB C 260 64.170 65.242 -1.072 1
1 185 . 22 1 1 A 16 16 SER N N 260 125.417 113.712 11.705 1
1 186 . 22 1 1 A 17 17 ILE H H 261 8.394 8.923 -0.529 1
1 187 . 22 1 1 A 17 17 ILE HA H 261 4.366 4.642 -0.276 1
1 197 . 22 1 1 A 17 17 ILE C C 261 173.465 175.081 -1.616 1
1 198 . 22 1 1 A 17 17 ILE CA C 261 57.461 60.173 -2.712 1
1 199 . 22 1 1 A 17 17 ILE CB C 261 41.882 41.727 0.155 1
1 203 . 22 1 1 A 17 17 ILE N N 261 131.680 125.940 5.740 1
1 204 . 22 1 1 A 18 18 ASP H H 262 8.043 8.768 -0.725 1
1 205 . 22 1 1 A 18 18 ASP HA H 262 4.498 4.486 0.012 1
1 208 . 22 1 1 A 18 18 ASP C C 262 174.970 176.083 -1.113 1
1 209 . 22 1 1 A 18 18 ASP CA C 262 54.962 54.809 0.153 1
1 210 . 22 1 1 A 18 18 ASP CB C 262 41.518 41.151 0.367 1
1 211 . 22 1 1 A 18 18 ASP N N 262 132.455 127.956 4.499 1
1 212 . 22 1 1 A 19 19 GLU H H 263 8.058 8.680 -0.622 1
1 213 . 22 1 1 A 19 19 GLU HA H 263 3.322 3.906 -0.584 1
1 218 . 22 1 1 A 19 19 GLU C C 263 176.656 177.360 -0.704 1
1 219 . 22 1 1 A 19 19 GLU CA C 263 58.351 58.326 0.025 1
1 220 . 22 1 1 A 19 19 GLU CB C 263 29.716 29.336 0.380 1
1 222 . 22 1 1 A 19 19 GLU N N 263 126.424 124.756 1.668 1
1 223 . 22 1 1 A 20 20 GLY H H 264 9.131 9.050 0.081 1
1 224 . 22 1 1 A 20 20 GLY HA2 H 264 3.366 3.977 -0.611 1
1 225 . 22 1 1 A 20 20 GLY HA3 H 264 4.196 3.978 0.218 1
1 226 . 22 1 1 A 20 20 GLY C C 264 174.582 174.441 0.141 1
1 227 . 22 1 1 A 20 20 GLY CA C 264 44.837 44.992 -0.155 1
1 228 . 22 1 1 A 20 20 GLY N N 264 119.124 115.188 3.936 1
1 229 . 22 1 1 A 21 21 ARG H H 265 7.192 7.283 -0.091 1
1 230 . 22 1 1 A 21 21 ARG HA H 265 4.377 4.409 -0.032 1
1 238 . 22 1 1 A 21 21 ARG C C 265 174.091 175.910 -1.819 1
1 239 . 22 1 1 A 21 21 ARG CA C 265 55.263 55.985 -0.722 1
1 240 . 22 1 1 A 21 21 ARG CB C 265 31.467 31.674 -0.207 1
1 243 . 22 1 1 A 21 21 ARG N N 265 126.182 120.377 5.805 1
1 245 . 22 1 1 A 22 22 PHE H H 266 7.699 8.846 -1.147 1
1 246 . 22 1 1 A 22 22 PHE HA H 266 4.688 4.905 -0.217 1
1 254 . 22 1 1 A 22 22 PHE C C 266 175.911 174.978 0.933 1
1 255 . 22 1 1 A 22 22 PHE CA C 266 57.132 59.344 -2.212 1
1 256 . 22 1 1 A 22 22 PHE CB C 266 41.270 40.002 1.268 1
1 260 . 22 1 1 A 22 22 PHE N N 266 127.111 122.723 4.388 1
1 261 . 22 1 1 A 23 23 CYS H H 267 8.140 8.445 -0.305 1
1 262 . 22 1 1 A 23 23 CYS HA H 267 4.282 5.106 -0.824 1
1 265 . 22 1 1 A 23 23 CYS C C 267 170.233 172.547 -2.314 1
1 266 . 22 1 1 A 23 23 CYS CA C 267 57.626 57.855 -0.229 1
1 267 . 22 1 1 A 23 23 CYS CB C 267 30.411 32.313 -1.902 1
1 268 . 22 1 1 A 23 23 CYS N N 267 130.194 126.235 3.959 1
1 269 . 22 1 1 A 24 24 ARG H H 268 8.160 8.944 -0.784 1
1 270 . 22 1 1 A 24 24 ARG HA H 268 5.167 5.402 -0.235 1
1 278 . 22 1 1 A 24 24 ARG CA C 268 53.910 54.248 -0.338 1
1 279 . 22 1 1 A 24 24 ARG CB C 268 35.114 34.329 0.785 1
1 283 . 22 1 1 A 25 25 MET H H 269 8.839 8.853 -0.014 1
1 284 . 22 1 1 A 25 25 MET HA H 269 4.518 5.310 -0.792 1
1 292 . 22 1 1 A 25 25 MET C C 269 174.090 174.445 -0.355 1
1 293 . 22 1 1 A 25 25 MET CA C 269 54.960 54.127 0.833 1
1 294 . 22 1 1 A 25 25 MET CB C 269 35.645 37.407 -1.762 1
1 297 . 22 1 1 A 25 25 MET N N 269 127.757 119.432 8.325 1
1 298 . 22 1 1 A 26 26 ASP H H 270 8.473 8.738 -0.265 1
1 299 . 22 1 1 A 26 26 ASP HA H 270 5.772 5.653 0.119 1
1 302 . 22 1 1 A 26 26 ASP CA C 270 53.157 53.173 -0.016 1
1 303 . 22 1 1 A 26 26 ASP CB C 270 43.595 45.211 -1.616 1
1 304 . 22 1 1 A 26 26 ASP N N 270 129.880 121.170 8.710 1
1 305 . 22 1 1 A 27 27 PHE H H 271 9.180 9.613 -0.433 1
1 306 . 22 1 1 A 27 27 PHE HA H 271 5.014 5.048 -0.034 1
1 314 . 22 1 1 A 27 27 PHE CA C 271 55.904 56.393 -0.489 1
1 317 . 22 1 1 A 27 27 PHE N N 271 123.116 121.239 1.877 1
1 318 . 22 1 1 A 28 28 LYS H H 272 9.221 8.786 0.435 1
1 327 . 22 1 1 A 28 28 LYS CA C 272 59.294 55.209 4.085 1
1 328 . 22 1 1 A 28 28 LYS CB C 272 38.090 33.719 4.371 1
1 332 . 22 1 1 A 28 28 LYS N N 272 131.321 121.161 10.160 1
1 333 . 22 1 1 A 29 29 VAL H H 273 8.304 9.169 -0.865 1
1 334 . 22 1 1 A 29 29 VAL HA H 273 4.331 4.385 -0.054 1
1 342 . 22 1 1 A 29 29 VAL C C 273 175.240 175.386 -0.146 1
1 343 . 22 1 1 A 29 29 VAL CA C 273 61.020 61.332 -0.312 1
1 344 . 22 1 1 A 29 29 VAL CB C 273 33.889 32.069 1.820 1
1 347 . 22 1 1 A 30 30 SER H H 274 8.545 8.390 0.155 1
1 348 . 22 1 1 A 30 30 SER HA H 274 4.647 4.532 0.115 1
1 351 . 22 1 1 A 30 30 SER C C 274 172.993 174.048 -1.055 1
1 352 . 22 1 1 A 30 30 SER CA C 274 56.505 58.332 -1.827 1
1 353 . 22 1 1 A 30 30 SER CB C 274 65.805 64.426 1.379 1
1 354 . 22 1 1 A 30 30 SER N N 274 129.796 124.291 5.505 1
1 355 . 22 1 1 A 31 31 GLY H H 275 7.712 8.634 -0.922 1
1 356 . 22 1 1 A 31 31 GLY HA2 H 275 3.220 4.175 -0.955 1
1 357 . 22 1 1 A 31 31 GLY HA3 H 275 3.649 4.178 -0.529 1
1 358 . 22 1 1 A 31 31 GLY C C 275 170.984 171.882 -0.898 1
1 359 . 22 1 1 A 31 31 GLY CA C 275 45.099 44.156 0.943 1
1 360 . 22 1 1 A 31 31 GLY N N 275 115.009 111.402 3.607 1
1 361 . 22 1 1 A 32 32 LEU H H 276 7.668 8.416 -0.748 1
1 362 . 22 1 1 A 32 32 LEU HA H 276 4.301 4.873 -0.572 1
1 372 . 22 1 1 A 32 32 LEU C C 276 173.812 174.730 -0.918 1
1 373 . 22 1 1 A 32 32 LEU CA C 276 52.370 51.375 0.995 1
1 374 . 22 1 1 A 32 32 LEU CB C 276 45.554 45.855 -0.301 1
1 378 . 22 1 1 A 32 32 LEU N N 276 129.727 121.370 8.357 1
1 379 . 22 1 1 A 33 33 PRO HA H 277 4.416 4.613 -0.197 1
1 386 . 22 1 1 A 33 33 PRO CA C 277 62.576 62.372 0.204 1
1 387 . 22 1 1 A 33 33 PRO CB C 277 35.012 32.599 2.413 1
1 390 . 22 1 1 A 34 34 ALA H H 278 8.598 8.328 0.270 1
1 391 . 22 1 1 A 34 34 ALA HA H 278 4.153 4.317 -0.164 1
1 395 . 22 1 1 A 34 34 ALA CA C 278 50.822 50.660 0.162 1
1 396 . 22 1 1 A 34 34 ALA CB C 278 17.462 18.809 -1.347 1
1 397 . 22 1 1 A 34 34 ALA N N 278 131.518 124.396 7.122 1
1 398 . 22 1 1 A 35 35 PRO HA H 279 4.206 4.484 -0.278 1
1 405 . 22 1 1 A 35 35 PRO C C 279 175.701 175.925 -0.224 1
1 406 . 22 1 1 A 35 35 PRO CA C 279 62.628 62.442 0.186 1
1 407 . 22 1 1 A 35 35 PRO CB C 279 33.069 31.940 1.129 1
1 410 . 22 1 1 A 36 36 ASP H H 280 8.621 8.603 0.018 1
1 411 . 22 1 1 A 36 36 ASP HA H 280 4.659 4.676 -0.017 1
1 414 . 22 1 1 A 36 36 ASP C C 280 176.057 175.386 0.671 1
1 415 . 22 1 1 A 36 36 ASP CA C 280 54.307 54.115 0.192 1
1 416 . 22 1 1 A 36 36 ASP CB C 280 42.741 41.761 0.980 1
1 417 . 22 1 1 A 36 36 ASP N N 280 127.555 121.884 5.671 1
1 418 . 22 1 1 A 37 37 VAL H H 281 8.635 8.624 0.011 1
1 419 . 22 1 1 A 37 37 VAL HA H 281 4.938 4.818 0.120 1
1 427 . 22 1 1 A 37 37 VAL CA C 281 61.135 61.158 -0.023 1
1 428 . 22 1 1 A 37 37 VAL CB C 281 34.579 33.888 0.691 1
1 431 . 22 1 1 A 38 38 SER H H 282 8.591 8.907 -0.316 1
1 432 . 22 1 1 A 38 38 SER HA H 282 4.518 5.216 -0.698 1
1 435 . 22 1 1 A 38 38 SER CA C 282 57.540 57.670 -0.130 1
1 436 . 22 1 1 A 38 38 SER CB C 282 66.530 65.406 1.124 1
1 437 . 22 1 1 A 38 38 SER N N 282 128.264 124.187 4.077 1
1 438 . 22 1 1 A 39 39 TRP H H 283 8.426 8.937 -0.511 1
1 439 . 22 1 1 A 39 39 TRP HA H 283 5.297 5.247 0.050 1
1 448 . 22 1 1 A 39 39 TRP CA C 283 56.298 57.245 -0.947 1
1 449 . 22 1 1 A 39 39 TRP CB C 283 33.153 31.155 1.998 1
1 455 . 22 1 1 A 39 39 TRP N N 283 127.698 128.328 -0.630 1
1 456 . 22 1 1 A 40 40 TYR H H 284 9.373 9.338 0.035 1
1 457 . 22 1 1 A 40 40 TYR HA H 284 4.903 5.408 -0.505 1
1 464 . 22 1 1 A 40 40 TYR C C 284 174.148 174.658 -0.510 1
1 465 . 22 1 1 A 40 40 TYR CA C 284 56.849 56.294 0.555 1
1 466 . 22 1 1 A 40 40 TYR CB C 284 42.754 43.323 -0.569 1
1 469 . 22 1 1 A 40 40 TYR N N 284 125.437 120.321 5.116 1
1 470 . 22 1 1 A 41 41 LEU H H 285 8.898 9.185 -0.287 1
1 471 . 22 1 1 A 41 41 LEU HA H 285 4.255 4.616 -0.361 1
1 481 . 22 1 1 A 41 41 LEU C C 285 176.606 175.473 1.133 1
1 482 . 22 1 1 A 41 41 LEU CA C 285 53.659 53.988 -0.329 1
1 483 . 22 1 1 A 41 41 LEU CB C 285 43.740 44.772 -1.032 1
1 487 . 22 1 1 A 41 41 LEU N N 285 129.512 122.583 6.929 1
1 488 . 22 1 1 A 42 42 ASN H H 286 9.454 9.487 -0.033 1
1 489 . 22 1 1 A 42 42 ASN HA H 286 4.221 4.426 -0.205 1
1 494 . 22 1 1 A 42 42 ASN C C 286 175.692 175.288 0.404 1
1 495 . 22 1 1 A 42 42 ASN CA C 286 54.239 54.406 -0.167 1
1 496 . 22 1 1 A 42 42 ASN CB C 286 37.331 36.960 0.371 1
1 497 . 22 1 1 A 42 42 ASN N N 286 134.097 126.403 7.694 1
1 499 . 22 1 1 A 43 43 GLY H H 287 8.709 8.372 0.337 1
1 500 . 22 1 1 A 43 43 GLY HA2 H 287 3.356 3.960 -0.604 1
1 501 . 22 1 1 A 43 43 GLY HA3 H 287 3.995 3.965 0.030 1
1 502 . 22 1 1 A 43 43 GLY C C 287 173.786 174.633 -0.847 1
1 503 . 22 1 1 A 43 43 GLY CA C 287 45.450 45.147 0.303 1
1 504 . 22 1 1 A 43 43 GLY N N 287 108.807 105.052 3.755 1
1 505 . 22 1 1 A 44 44 ARG H H 288 7.902 7.550 0.352 1
1 506 . 22 1 1 A 44 44 ARG HA H 288 4.697 4.586 0.111 1
1 514 . 22 1 1 A 44 44 ARG C C 288 175.799 176.370 -0.571 1
1 515 . 22 1 1 A 44 44 ARG CA C 288 54.658 55.402 -0.744 1
1 516 . 22 1 1 A 44 44 ARG CB C 288 32.436 31.495 0.941 1
1 519 . 22 1 1 A 44 44 ARG N N 288 127.837 120.329 7.508 1
1 521 . 22 1 1 A 45 45 THR H H 289 8.539 8.595 -0.056 1
1 522 . 22 1 1 A 45 45 THR HA H 289 3.763 4.108 -0.345 1
1 527 . 22 1 1 A 45 45 THR C C 289 174.692 174.226 0.466 1
1 528 . 22 1 1 A 45 45 THR CA C 289 63.977 61.948 2.029 1
1 529 . 22 1 1 A 45 45 THR CB C 289 69.706 69.887 -0.181 1
1 531 . 22 1 1 A 45 45 THR N N 289 126.100 113.758 12.342 1
1 532 . 22 1 1 A 46 46 VAL H H 290 8.033 8.365 -0.332 1
1 533 . 22 1 1 A 46 46 VAL HA H 290 3.647 4.957 -1.310 1
1 541 . 22 1 1 A 46 46 VAL C C 290 174.672 174.648 0.024 1
1 542 . 22 1 1 A 46 46 VAL CA C 290 62.458 60.173 2.285 1
1 543 . 22 1 1 A 46 46 VAL CB C 290 32.500 35.341 -2.841 1
1 546 . 22 1 1 A 46 46 VAL N N 290 134.795 121.424 13.371 1
1 547 . 22 1 1 A 47 47 GLN H H 291 8.124 8.735 -0.611 1
1 548 . 22 1 1 A 47 47 GLN HA H 291 4.281 4.904 -0.623 1
1 555 . 22 1 1 A 47 47 GLN C C 291 175.398 175.455 -0.057 1
1 556 . 22 1 1 A 47 47 GLN CA C 291 54.235 53.903 0.332 1
1 557 . 22 1 1 A 47 47 GLN CB C 291 30.283 32.704 -2.421 1
1 559 . 22 1 1 A 47 47 GLN N N 291 132.792 125.467 7.325 1
1 561 . 22 1 1 A 48 48 SER H H 292 8.280 8.575 -0.295 1
1 562 . 22 1 1 A 48 48 SER HA H 292 4.308 4.685 -0.377 1
1 565 . 22 1 1 A 48 48 SER C C 292 174.304 173.800 0.504 1
1 566 . 22 1 1 A 48 48 SER CA C 292 58.222 57.955 0.267 1
1 567 . 22 1 1 A 48 48 SER CB C 292 63.719 64.124 -0.405 1
1 568 . 22 1 1 A 48 48 SER N N 292 123.481 115.507 7.974 1
1 569 . 22 1 1 A 49 49 ASP H H 293 9.050 9.039 0.011 1
1 570 . 22 1 1 A 49 49 ASP HA H 293 4.482 4.893 -0.411 1
1 573 . 22 1 1 A 49 49 ASP C C 293 176.099 176.019 0.080 1
1 574 . 22 1 1 A 49 49 ASP CA C 293 53.668 53.213 0.455 1
1 575 . 22 1 1 A 49 49 ASP CB C 293 40.100 41.970 -1.870 1
1 576 . 22 1 1 A 49 49 ASP N N 293 131.157 120.303 10.854 1
1 577 . 22 1 1 A 50 50 ASP H H 294 8.324 8.790 -0.466 1
1 578 . 22 1 1 A 50 50 ASP HA H 294 4.167 4.323 -0.156 1
1 581 . 22 1 1 A 50 50 ASP C C 294 176.520 176.640 -0.120 1
1 582 . 22 1 1 A 50 50 ASP CA C 294 57.367 56.166 1.201 1
1 583 . 22 1 1 A 50 50 ASP CB C 294 40.226 40.553 -0.327 1
1 584 . 22 1 1 A 50 50 ASP N N 294 122.206 118.441 3.765 1
1 585 . 22 1 1 A 51 51 LEU H H 295 7.749 7.861 -0.112 1
1 586 . 22 1 1 A 51 51 LEU HA H 295 4.281 4.332 -0.051 1
1 596 . 22 1 1 A 51 51 LEU C C 295 175.716 175.695 0.021 1
1 597 . 22 1 1 A 51 51 LEU CA C 295 54.407 54.686 -0.279 1
1 598 . 22 1 1 A 51 51 LEU CB C 295 43.849 42.931 0.918 1
1 602 . 22 1 1 A 51 51 LEU N N 295 121.836 116.956 4.880 1
1 603 . 22 1 1 A 52 52 HIS H H 296 7.548 7.523 0.025 1
1 604 . 22 1 1 A 52 52 HIS HA H 296 5.091 4.954 0.137 1
1 609 . 22 1 1 A 52 52 HIS C C 296 172.683 173.480 -0.797 1
1 610 . 22 1 1 A 52 52 HIS CA C 296 54.900 53.989 0.911 1
1 611 . 22 1 1 A 52 52 HIS CB C 296 28.894 30.736 -1.842 1
1 614 . 22 1 1 A 52 52 HIS N N 296 126.326 116.316 10.010 1
1 615 . 22 1 1 A 53 53 LYS H H 297 8.515 8.530 -0.015 1
1 616 . 22 1 1 A 53 53 LYS HA H 297 4.608 4.633 -0.025 1
1 625 . 22 1 1 A 53 53 LYS C C 297 174.797 175.326 -0.529 1
1 626 . 22 1 1 A 53 53 LYS CA C 297 54.303 55.032 -0.729 1
1 627 . 22 1 1 A 53 53 LYS CB C 297 35.705 33.952 1.753 1
1 631 . 22 1 1 A 53 53 LYS N N 297 127.067 124.638 2.429 1
1 632 . 22 1 1 A 54 54 MET H H 298 8.379 8.995 -0.616 1
1 633 . 22 1 1 A 54 54 MET HA H 298 5.091 5.416 -0.325 1
1 641 . 22 1 1 A 54 54 MET CA C 298 55.427 53.950 1.477 1
1 642 . 22 1 1 A 54 54 MET CB C 298 34.100 34.574 -0.474 1
1 645 . 22 1 1 A 54 54 MET N N 298 128.992 123.198 5.794 1
1 646 . 22 1 1 A 55 55 ILE H H 299 8.279 8.792 -0.513 1
1 647 . 22 1 1 A 55 55 ILE HA H 299 4.602 5.214 -0.612 1
1 657 . 22 1 1 A 55 55 ILE CA C 299 59.130 59.172 -0.042 1
1 658 . 22 1 1 A 55 55 ILE CB C 299 42.747 42.286 0.461 1
1 662 . 22 1 1 A 56 56 VAL H H 300 9.227 8.689 0.538 1
1 663 . 22 1 1 A 56 56 VAL HA H 300 4.912 4.697 0.215 1
1 671 . 22 1 1 A 56 56 VAL CA C 300 59.226 60.840 -1.614 1
1 672 . 22 1 1 A 56 56 VAL CB C 300 36.406 34.860 1.546 1
1 675 . 22 1 1 A 57 57 SER H H 301 8.794 9.135 -0.341 1
1 676 . 22 1 1 A 57 57 SER HA H 301 4.575 4.596 -0.021 1
1 679 . 22 1 1 A 57 57 SER CA C 301 56.558 58.475 -1.917 1
1 680 . 22 1 1 A 57 57 SER CB C 301 65.617 63.709 1.908 1
1 681 . 22 1 1 A 57 57 SER N N 301 128.893 122.386 6.507 1
1 682 . 22 1 1 A 58 58 GLU HA H 302 4.013 4.017 -0.004 1
1 687 . 22 1 1 A 58 58 GLU CA C 302 58.165 59.738 -1.573 1
1 688 . 22 1 1 A 58 58 GLU CB C 302 29.508 29.393 0.115 1
1 690 . 22 1 1 A 59 59 LYS HA H 303 4.114 4.326 -0.212 1
1 699 . 22 1 1 A 59 59 LYS C C 303 176.755 176.876 -0.121 1
1 700 . 22 1 1 A 59 59 LYS CA C 303 55.913 55.888 0.025 1
1 701 . 22 1 1 A 59 59 LYS CB C 303 31.679 32.783 -1.104 1
1 705 . 22 1 1 A 60 60 GLY H H 304 7.813 8.080 -0.267 1
1 706 . 22 1 1 A 60 60 GLY HA2 H 304 4.037 3.959 0.078 1
1 707 . 22 1 1 A 60 60 GLY HA3 H 304 3.411 3.963 -0.552 1
1 708 . 22 1 1 A 60 60 GLY C C 304 173.480 174.263 -0.783 1
1 709 . 22 1 1 A 60 60 GLY CA C 304 45.955 45.452 0.503 1
1 710 . 22 1 1 A 60 60 GLY N N 304 113.597 107.929 5.668 1
1 711 . 22 1 1 A 61 61 LEU H H 305 7.253 7.917 -0.664 1
1 712 . 22 1 1 A 61 61 LEU HA H 305 4.396 4.550 -0.154 1
1 722 . 22 1 1 A 61 61 LEU CA C 305 54.825 55.038 -0.213 1
1 723 . 22 1 1 A 61 61 LEU CB C 305 43.099 42.256 0.843 1
1 727 . 22 1 1 A 61 61 LEU N N 305 128.081 123.394 4.687 1
1 728 . 22 1 1 A 62 62 HIS H H 306 8.294 9.084 -0.790 1
1 733 . 22 1 1 A 62 62 HIS N N 306 130.344 127.936 2.408 1
1 734 . 22 1 1 A 63 63 SER HA H 307 5.980 5.242 0.738 1
1 737 . 22 1 1 A 63 63 SER CA C 307 57.517 57.762 -0.245 1
1 738 . 22 1 1 A 63 63 SER CB C 307 66.760 64.800 1.960 1
1 739 . 22 1 1 A 64 64 LEU H H 308 8.827 8.711 0.116 1
1 740 . 22 1 1 A 64 64 LEU HA H 308 4.657 4.530 0.127 1
1 750 . 22 1 1 A 64 64 LEU C C 308 174.337 174.689 -0.352 1
1 751 . 22 1 1 A 64 64 LEU CA C 308 54.386 53.774 0.612 1
1 752 . 22 1 1 A 64 64 LEU CB C 308 42.678 44.211 -1.533 1
1 756 . 22 1 1 A 65 65 ILE H H 309 9.009 9.066 -0.057 1
1 757 . 22 1 1 A 65 65 ILE HA H 309 3.880 4.514 -0.634 1
1 767 . 22 1 1 A 65 65 ILE C C 309 173.963 174.850 -0.887 1
1 768 . 22 1 1 A 65 65 ILE CA C 309 60.296 60.148 0.148 1
1 769 . 22 1 1 A 65 65 ILE CB C 309 40.727 39.455 1.272 1
1 773 . 22 1 1 A 65 65 ILE N N 309 133.046 128.522 4.524 1
1 774 . 22 1 1 A 66 66 PHE H H 310 8.508 8.993 -0.485 1
1 775 . 22 1 1 A 66 66 PHE HA H 310 4.367 4.848 -0.481 1
1 783 . 22 1 1 A 66 66 PHE C C 310 174.555 175.798 -1.243 1
1 784 . 22 1 1 A 66 66 PHE CA C 310 54.878 55.883 -1.005 1
1 785 . 22 1 1 A 66 66 PHE CB C 310 38.819 39.444 -0.625 1
1 789 . 22 1 1 A 66 66 PHE N N 310 132.294 126.293 6.001 1
1 790 . 22 1 1 A 67 67 GLU H H 311 7.879 8.870 -0.991 1
1 791 . 22 1 1 A 67 67 GLU HA H 311 4.025 4.379 -0.354 1
1 796 . 22 1 1 A 67 67 GLU C C 311 177.819 177.122 0.697 1
1 797 . 22 1 1 A 67 67 GLU CA C 311 59.266 59.191 0.075 1
1 798 . 22 1 1 A 67 67 GLU CB C 311 30.421 30.629 -0.208 1
1 800 . 22 1 1 A 67 67 GLU N N 311 127.092 124.332 2.760 1
1 801 . 22 1 1 A 68 68 VAL H H 312 7.428 7.574 -0.146 1
1 802 . 22 1 1 A 68 68 VAL HA H 312 3.402 4.505 -1.103 1
1 810 . 22 1 1 A 68 68 VAL C C 312 173.921 174.106 -0.185 1
1 811 . 22 1 1 A 68 68 VAL CA C 312 61.444 61.010 0.434 1
1 812 . 22 1 1 A 68 68 VAL CB C 312 34.790 32.964 1.826 1
1 815 . 22 1 1 A 68 68 VAL N N 312 120.315 116.787 3.528 1
1 816 . 22 1 1 A 69 69 VAL H H 313 8.233 8.675 -0.442 1
1 817 . 22 1 1 A 69 69 VAL HA H 313 3.829 4.229 -0.400 1
1 825 . 22 1 1 A 69 69 VAL C C 313 175.123 174.960 0.163 1
1 826 . 22 1 1 A 69 69 VAL CA C 313 63.200 62.502 0.698 1
1 827 . 22 1 1 A 69 69 VAL CB C 313 32.836 32.627 0.209 1
1 830 . 22 1 1 A 69 69 VAL N N 313 132.928 129.013 3.915 1
1 831 . 22 1 1 A 70 70 ARG H H 314 9.259 9.031 0.228 1
1 832 . 22 1 1 A 70 70 ARG HA H 314 4.776 4.715 0.061 1
1 839 . 22 1 1 A 70 70 ARG C C 314 177.491 176.763 0.728 1
1 840 . 22 1 1 A 70 70 ARG CA C 314 53.728 54.057 -0.329 1
1 841 . 22 1 1 A 70 70 ARG CB C 314 34.282 32.748 1.534 1
1 844 . 22 1 1 A 70 70 ARG N N 314 133.209 127.514 5.695 1
1 845 . 22 1 1 A 71 71 ALA H H 315 9.059 8.904 0.155 1
1 846 . 22 1 1 A 71 71 ALA HA H 315 3.676 4.021 -0.345 1
1 850 . 22 1 1 A 71 71 ALA C C 315 180.122 179.381 0.741 1
1 851 . 22 1 1 A 71 71 ALA CA C 315 56.356 55.102 1.254 1
1 852 . 22 1 1 A 71 71 ALA CB C 315 17.923 18.427 -0.504 1
1 853 . 22 1 1 A 71 71 ALA N N 315 131.839 124.485 7.354 1
1 854 . 22 1 1 A 72 72 SER H H 316 7.735 8.002 -0.267 1
1 855 . 22 1 1 A 72 72 SER HA H 316 4.046 4.142 -0.096 1
1 858 . 22 1 1 A 72 72 SER C C 316 175.495 175.966 -0.471 1
1 859 . 22 1 1 A 72 72 SER CA C 316 60.037 61.058 -1.021 1
1 860 . 22 1 1 A 72 72 SER CB C 316 62.381 63.166 -0.785 1
1 861 . 22 1 1 A 72 72 SER N N 316 115.841 113.254 2.587 1
1 862 . 22 1 1 A 73 73 ASP H H 317 8.175 7.916 0.259 1
1 863 . 22 1 1 A 73 73 ASP HA H 317 4.644 4.685 -0.041 1
1 866 . 22 1 1 A 73 73 ASP C C 317 176.176 176.296 -0.120 1
1 867 . 22 1 1 A 73 73 ASP CA C 317 55.305 55.093 0.212 1
1 868 . 22 1 1 A 73 73 ASP CB C 317 42.572 41.249 1.323 1
1 869 . 22 1 1 A 73 73 ASP N N 317 126.327 119.134 7.193 1
1 870 . 22 1 1 A 74 74 ALA H H 318 7.339 6.994 0.345 1
1 871 . 22 1 1 A 74 74 ALA HA H 318 4.013 4.239 -0.226 1
1 875 . 22 1 1 A 74 74 ALA C C 318 176.813 177.381 -0.568 1
1 876 . 22 1 1 A 74 74 ALA CA C 318 53.570 53.038 0.532 1
1 877 . 22 1 1 A 74 74 ALA CB C 318 20.548 20.489 0.059 1
1 878 . 22 1 1 A 74 74 ALA N N 318 127.859 122.077 5.782 1
1 879 . 22 1 1 A 75 75 GLY H H 319 8.797 8.760 0.037 1
1 880 . 22 1 1 A 75 75 GLY HA2 H 319 3.599 4.080 -0.481 1
1 881 . 22 1 1 A 75 75 GLY HA3 H 319 4.239 4.130 0.109 1
1 882 . 22 1 1 A 75 75 GLY C C 319 170.102 172.577 -2.475 1
1 883 . 22 1 1 A 75 75 GLY CA C 319 45.105 44.046 1.059 1
1 884 . 22 1 1 A 75 75 GLY N N 319 114.261 106.979 7.282 1
1 885 . 22 1 1 A 76 76 ALA H H 320 7.621 8.030 -0.409 1
1 886 . 22 1 1 A 76 76 ALA HA H 320 4.521 4.754 -0.233 1
1 890 . 22 1 1 A 76 76 ALA C C 320 176.291 176.493 -0.202 1
1 891 . 22 1 1 A 76 76 ALA CA C 320 51.158 51.570 -0.412 1
1 892 . 22 1 1 A 76 76 ALA CB C 320 19.242 19.428 -0.186 1
1 893 . 22 1 1 A 76 76 ALA N N 320 129.042 122.948 6.094 1
1 894 . 22 1 1 A 77 77 TYR H H 321 9.406 8.940 0.466 1
1 895 . 22 1 1 A 77 77 TYR HA H 321 5.237 5.226 0.011 1
1 903 . 22 1 1 A 77 77 TYR C C 321 175.676 176.067 -0.391 1
1 904 . 22 1 1 A 77 77 TYR CA C 321 57.779 58.005 -0.226 1
1 905 . 22 1 1 A 77 77 TYR CB C 321 40.623 40.026 0.597 1
1 908 . 22 1 1 A 77 77 TYR N N 321 132.635 124.044 8.591 1
1 909 . 22 1 1 A 78 78 ALA H H 322 9.084 9.011 0.073 1
1 910 . 22 1 1 A 78 78 ALA HA H 322 5.031 5.377 -0.346 1
1 914 . 22 1 1 A 78 78 ALA CA C 322 50.120 51.315 -1.195 1
1 915 . 22 1 1 A 78 78 ALA CB C 322 21.653 24.053 -2.400 1
1 916 . 22 1 1 A 78 78 ALA N N 322 130.291 122.615 7.676 1
1 917 . 22 1 1 A 79 79 CYS H H 323 7.932 8.887 -0.955 1
1 918 . 22 1 1 A 79 79 CYS HA H 323 4.037 4.507 -0.470 1
1 919 . 22 1 1 A 79 79 CYS C C 323 173.727 173.142 0.585 1
1 920 . 22 1 1 A 79 79 CYS CA C 323 56.345 57.030 -0.685 1
1 921 . 22 1 1 A 80 80 VAL H H 324 8.671 8.855 -0.184 1
1 922 . 22 1 1 A 80 80 VAL HA H 324 4.596 4.288 0.308 1
1 930 . 22 1 1 A 80 80 VAL C C 324 174.904 175.099 -0.195 1
1 931 . 22 1 1 A 80 80 VAL CA C 324 60.907 62.668 -1.761 1
1 932 . 22 1 1 A 80 80 VAL CB C 324 34.334 31.965 2.369 1
1 934 . 22 1 1 A 80 80 VAL N N 324 135.079 127.194 7.885 1
1 935 . 22 1 1 A 81 81 ALA H H 325 9.107 8.713 0.394 1
1 936 . 22 1 1 A 81 81 ALA HA H 325 5.220 5.260 -0.040 1
1 940 . 22 1 1 A 81 81 ALA C C 325 175.446 175.843 -0.397 1
1 941 . 22 1 1 A 81 81 ALA CA C 325 49.197 50.432 -1.235 1
1 942 . 22 1 1 A 81 81 ALA CB C 325 22.479 21.728 0.751 1
1 943 . 22 1 1 A 81 81 ALA N N 325 136.369 129.410 6.959 1
1 944 . 22 1 1 A 82 82 LYS H H 326 8.734 8.728 0.006 1
1 945 . 22 1 1 A 82 82 LYS HA H 326 5.021 5.083 -0.062 1
1 954 . 22 1 1 A 82 82 LYS C C 326 175.054 175.242 -0.188 1
1 955 . 22 1 1 A 82 82 LYS CA C 326 55.451 54.639 0.812 1
1 956 . 22 1 1 A 82 82 LYS CB C 326 37.852 35.879 1.973 1
1 960 . 22 1 1 A 82 82 LYS N N 326 128.038 122.843 5.195 1
1 961 . 22 1 1 A 83 83 ASN H H 327 8.949 8.731 0.218 1
1 962 . 22 1 1 A 83 83 ASN HA H 327 4.624 5.109 -0.485 1
1 967 . 22 1 1 A 83 83 ASN C C 327 176.409 175.474 0.935 1
1 968 . 22 1 1 A 83 83 ASN CA C 327 51.838 51.372 0.466 1
1 969 . 22 1 1 A 83 83 ASN CB C 327 40.927 39.770 1.157 1
1 970 . 22 1 1 A 83 83 ASN N N 327 128.769 121.563 7.206 1
1 972 . 22 1 1 A 84 84 ARG H H 328 8.203 9.121 -0.918 1
1 973 . 22 1 1 A 84 84 ARG HA H 328 3.917 4.069 -0.152 1
1 981 . 22 1 1 A 84 84 ARG C C 328 175.820 176.041 -0.221 1
1 982 . 22 1 1 A 84 84 ARG CA C 328 58.250 58.104 0.146 1
1 983 . 22 1 1 A 84 84 ARG CB C 328 29.985 29.641 0.344 1
1 986 . 22 1 1 A 84 84 ARG N N 328 121.021 117.808 3.213 1
1 988 . 22 1 1 A 85 85 ALA H H 329 7.599 8.059 -0.460 1
1 989 . 22 1 1 A 85 85 ALA HA H 329 4.279 4.475 -0.196 1
1 993 . 22 1 1 A 85 85 ALA C C 329 177.261 177.045 0.216 1
1 994 . 22 1 1 A 85 85 ALA CA C 329 51.905 51.897 0.008 1
1 995 . 22 1 1 A 85 85 ALA CB C 329 19.637 20.433 -0.796 1
1 996 . 22 1 1 A 85 85 ALA N N 329 125.074 121.742 3.332 1
1 997 . 22 1 1 A 86 86 GLY H H 330 7.624 7.100 0.524 1
1 998 . 22 1 1 A 86 86 GLY HA2 H 330 3.806 4.059 -0.253 1
1 999 . 22 1 1 A 86 86 GLY HA3 H 330 4.164 4.062 0.102 1
1 1000 . 22 1 1 A 86 86 GLY C C 330 169.646 170.835 -1.189 1
1 1001 . 22 1 1 A 86 86 GLY CA C 330 46.012 45.816 0.196 1
1 1002 . 22 1 1 A 86 86 GLY N N 330 112.891 103.708 9.183 1
1 1003 . 22 1 1 A 87 87 GLU H H 331 8.213 8.458 -0.245 1
1 1004 . 22 1 1 A 87 87 GLU HA H 331 5.274 5.299 -0.025 1
1 1009 . 22 1 1 A 87 87 GLU C C 331 174.418 174.749 -0.331 1
1 1010 . 22 1 1 A 87 87 GLU CA C 331 54.349 54.987 -0.638 1
1 1011 . 22 1 1 A 87 87 GLU CB C 331 34.615 33.524 1.091 1
1 1013 . 22 1 1 A 87 87 GLU N N 331 123.208 120.212 2.996 1
1 1014 . 22 1 1 A 88 88 ALA H H 332 8.897 8.802 0.095 1
1 1015 . 22 1 1 A 88 88 ALA HA H 332 4.569 5.085 -0.516 1
1 1019 . 22 1 1 A 88 88 ALA C C 332 175.121 175.331 -0.210 1
1 1020 . 22 1 1 A 88 88 ALA CA C 332 51.592 50.360 1.232 1
1 1021 . 22 1 1 A 88 88 ALA CB C 332 23.324 23.268 0.056 1
1 1022 . 22 1 1 A 88 88 ALA N N 332 131.757 125.696 6.061 1
1 1023 . 22 1 1 A 89 89 THR H H 333 8.521 8.586 -0.065 1
1 1024 . 22 1 1 A 89 89 THR HA H 333 5.661 4.779 0.882 1
1 1029 . 22 1 1 A 89 89 THR C C 333 173.827 173.343 0.484 1
1 1030 . 22 1 1 A 89 89 THR CA C 333 60.601 61.355 -0.754 1
1 1031 . 22 1 1 A 89 89 THR CB C 333 72.140 70.974 1.166 1
1 1033 . 22 1 1 A 89 89 THR N N 333 121.100 114.589 6.511 1
1 1034 . 22 1 1 A 90 90 PHE H H 334 8.603 8.161 0.442 1
1 1035 . 22 1 1 A 90 90 PHE HA H 334 4.624 5.068 -0.444 1
1 1043 . 22 1 1 A 90 90 PHE CA C 334 56.618 57.973 -1.355 1
1 1044 . 22 1 1 A 90 90 PHE CB C 334 42.489 40.636 1.853 1
1 1048 . 22 1 1 A 91 91 THR H H 335 8.174 9.034 -0.860 1
1 1049 . 22 1 1 A 91 91 THR HA H 335 5.445 5.188 0.257 1
1 1054 . 22 1 1 A 91 91 THR CA C 335 60.110 61.585 -1.475 1
1 1055 . 22 1 1 A 91 91 THR CB C 335 71.671 72.221 -0.550 1
1 1057 . 22 1 1 A 92 92 VAL H H 336 9.158 8.892 0.266 1
1 1058 . 22 1 1 A 92 92 VAL HA H 336 4.432 4.952 -0.520 1
1 1066 . 22 1 1 A 92 92 VAL C C 336 171.594 173.333 -1.739 1
1 1067 . 22 1 1 A 92 92 VAL CA C 336 60.914 60.041 0.873 1
1 1068 . 22 1 1 A 92 92 VAL CB C 336 35.760 35.906 -0.146 1
1 1071 . 22 1 1 A 92 92 VAL N N 336 130.220 122.320 7.900 1
1 1072 . 22 1 1 A 93 93 GLN H H 337 8.302 8.617 -0.315 1
1 1073 . 22 1 1 A 93 93 GLN HA H 337 4.756 5.401 -0.645 1
1 1080 . 22 1 1 A 93 93 GLN C C 337 174.009 173.344 0.665 1
1 1081 . 22 1 1 A 93 93 GLN CA C 337 54.672 54.344 0.328 1
1 1082 . 22 1 1 A 93 93 GLN CB C 337 30.071 32.630 -2.559 1
1 1084 . 22 1 1 A 93 93 GLN N N 337 133.412 126.190 7.222 1
1 1086 . 22 1 1 A 94 94 LEU H H 338 8.812 9.244 -0.432 1
1 1087 . 22 1 1 A 94 94 LEU HA H 338 4.836 4.967 -0.131 1
1 1097 . 22 1 1 A 94 94 LEU C C 338 175.099 174.368 0.731 1
1 1098 . 22 1 1 A 94 94 LEU CA C 338 53.725 53.915 -0.190 1
1 1099 . 22 1 1 A 94 94 LEU CB C 338 44.955 45.503 -0.548 1
1 1103 . 22 1 1 A 94 94 LEU N N 338 133.816 127.579 6.237 1
1 1104 . 22 1 1 A 95 95 ASP H H 339 8.747 9.098 -0.351 1
1 1105 . 22 1 1 A 95 95 ASP HA H 339 4.871 4.950 -0.079 1
1 1108 . 22 1 1 A 95 95 ASP C C 339 174.295 175.160 -0.865 1
1 1109 . 22 1 1 A 95 95 ASP CA C 339 53.311 53.407 -0.096 1
1 1110 . 22 1 1 A 95 95 ASP CB C 339 42.895 40.380 2.515 1
1 1111 . 22 1 1 A 95 95 ASP N N 339 134.770 126.855 7.915 1
1 1112 . 22 1 1 A 96 96 VAL H H 340 7.745 8.350 -0.605 1
1 1113 . 22 1 1 A 96 96 VAL HA H 340 4.653 4.208 0.445 1
1 1121 . 22 1 1 A 96 96 VAL C C 340 175.494 175.597 -0.103 1
1 1122 . 22 1 1 A 96 96 VAL CA C 340 60.722 63.050 -2.328 1
1 1123 . 22 1 1 A 96 96 VAL CB C 340 33.852 31.393 2.459 1
1 1126 . 22 1 1 A 96 96 VAL N N 340 128.328 124.212 4.116 1
1 1127 . 22 1 1 A 97 97 LEU H H 341 8.524 8.727 -0.203 1
1 1128 . 22 1 1 A 97 97 LEU HA H 341 4.243 4.621 -0.378 1
1 1138 . 22 1 1 A 97 97 LEU C C 341 176.052 176.414 -0.362 1
1 1139 . 22 1 1 A 97 97 LEU CA C 341 54.086 54.352 -0.266 1
1 1140 . 22 1 1 A 97 97 LEU CB C 341 41.446 40.968 0.478 1
1 1144 . 22 1 1 A 97 97 LEU N N 341 136.554 129.610 6.944 1
1 1145 . 22 1 1 A 98 98 ALA H H 342 8.344 8.622 -0.278 1
1 1146 . 22 1 1 A 98 98 ALA HA H 342 4.227 4.445 -0.218 1
1 1150 . 22 1 1 A 98 98 ALA C C 342 177.569 178.876 -1.307 1
1 1151 . 22 1 1 A 98 98 ALA CA C 342 51.964 52.724 -0.760 1
1 1152 . 22 1 1 A 98 98 ALA CB C 342 19.976 18.823 1.153 1
1 1153 . 22 1 1 A 98 98 ALA N N 342 134.558 128.366 6.192 1
1 1154 . 22 1 1 A 99 99 LYS H H 343 8.552 8.789 -0.237 1
1 1155 . 22 1 1 A 99 99 LYS HA H 343 4.119 4.351 -0.232 1
1 1164 . 22 1 1 A 99 99 LYS C C 343 175.859 177.950 -2.091 1
1 1165 . 22 1 1 A 99 99 LYS CA C 343 56.453 57.634 -1.181 1
1 1166 . 22 1 1 A 99 99 LYS CB C 343 33.257 33.341 -0.084 1
1 1170 . 22 1 1 A 99 99 LYS N N 343 128.906 119.877 9.029 1
1 4 . 23 1 1 A 2 2 ALA HA H -3 4.167 4.436 -0.269 1
1 8 . 23 1 1 A 2 2 ALA C C -3 177.254 176.989 0.265 1
1 9 . 23 1 1 A 2 2 ALA CA C -3 52.427 52.175 0.252 1
1 10 . 23 1 1 A 2 2 ALA CB C -3 19.740 19.976 -0.236 1
1 11 . 23 1 1 A 3 3 MET H H -2 8.135 8.612 -0.477 1
1 12 . 23 1 1 A 3 3 MET HA H -2 4.351 4.928 -0.577 1
1 20 . 23 1 1 A 3 3 MET C C -2 176.007 174.541 1.466 1
1 21 . 23 1 1 A 3 3 MET CA C -2 55.444 53.601 1.843 1
1 22 . 23 1 1 A 3 3 MET CB C -2 34.277 36.077 -1.800 1
1 25 . 23 1 1 A 3 3 MET N N -2 125.628 115.150 10.478 1
1 43 . 23 1 1 A 6 6 PRO HA H 250 4.591 4.746 -0.155 1
1 50 . 23 1 1 A 6 6 PRO C C 250 175.444 175.686 -0.242 1
1 51 . 23 1 1 A 6 6 PRO CA C 250 61.829 62.632 -0.803 1
1 52 . 23 1 1 A 6 6 PRO CB C 250 32.464 33.066 -0.602 1
1 55 . 23 1 1 A 7 7 ARG H H 251 7.588 8.901 -1.313 1
1 56 . 23 1 1 A 7 7 ARG HA H 251 4.078 4.304 -0.226 1
1 64 . 23 1 1 A 7 7 ARG C C 251 175.065 175.011 0.054 1
1 65 . 23 1 1 A 7 7 ARG CA C 251 54.552 54.475 0.077 1
1 66 . 23 1 1 A 7 7 ARG CB C 251 33.587 34.902 -1.315 1
1 69 . 23 1 1 A 7 7 ARG N N 251 124.900 122.215 2.685 1
1 71 . 23 1 1 A 8 8 PHE H H 252 8.893 8.385 0.508 1
1 72 . 23 1 1 A 8 8 PHE HA H 252 4.708 4.863 -0.155 1
1 80 . 23 1 1 A 8 8 PHE CA C 252 59.744 57.999 1.745 1
1 81 . 23 1 1 A 8 8 PHE CB C 252 39.263 38.259 1.004 1
1 85 . 23 1 1 A 8 8 PHE N N 252 128.828 119.870 8.958 1
1 86 . 23 1 1 A 9 9 ILE H H 253 8.223 9.038 -0.815 1
1 87 . 23 1 1 A 9 9 ILE HA H 253 4.090 4.179 -0.089 1
1 97 . 23 1 1 A 9 9 ILE C C 253 175.698 176.114 -0.416 1
1 98 . 23 1 1 A 9 9 ILE CA C 253 61.230 63.203 -1.973 1
1 99 . 23 1 1 A 9 9 ILE CB C 253 39.165 38.263 0.902 1
1 103 . 23 1 1 A 9 9 ILE N N 253 128.239 126.428 1.811 1
1 104 . 23 1 1 A 10 10 GLN H H 254 7.437 7.311 0.126 1
1 105 . 23 1 1 A 10 10 GLN HA H 254 4.450 4.801 -0.351 1
1 112 . 23 1 1 A 10 10 GLN C C 254 174.149 174.123 0.026 1
1 113 . 23 1 1 A 10 10 GLN CA C 254 56.197 55.667 0.530 1
1 114 . 23 1 1 A 10 10 GLN CB C 254 32.367 32.565 -0.198 1
1 116 . 23 1 1 A 10 10 GLN N N 254 127.323 116.346 10.977 1
1 118 . 23 1 1 A 11 11 VAL H H 255 8.283 8.741 -0.458 1
1 119 . 23 1 1 A 11 11 VAL HA H 255 4.185 4.560 -0.375 1
1 127 . 23 1 1 A 11 11 VAL CA C 255 57.931 57.719 0.212 1
1 128 . 23 1 1 A 11 11 VAL CB C 255 33.230 33.884 -0.654 1
1 131 . 23 1 1 A 11 11 VAL N N 255 126.734 118.750 7.984 1
1 132 . 23 1 1 A 12 12 PRO HA H 256 4.538 4.393 0.145 1
1 139 . 23 1 1 A 12 12 PRO CA C 256 62.209 62.340 -0.131 1
1 140 . 23 1 1 A 12 12 PRO CB C 256 31.724 31.777 -0.053 1
1 143 . 23 1 1 A 13 13 GLU H H 257 7.870 8.512 -0.642 1
1 144 . 23 1 1 A 13 13 GLU HA H 257 4.257 4.533 -0.276 1
1 149 . 23 1 1 A 13 13 GLU CA C 257 54.764 56.120 -1.356 1
1 150 . 23 1 1 A 13 13 GLU CB C 257 31.690 30.812 0.878 1
1 152 . 23 1 1 A 13 13 GLU N N 257 124.369 121.123 3.246 1
1 153 . 23 1 1 A 14 14 ASN H H 258 8.133 8.631 -0.498 1
1 154 . 23 1 1 A 14 14 ASN HA H 258 4.639 4.771 -0.132 1
1 159 . 23 1 1 A 14 14 ASN CA C 258 54.285 53.589 0.696 1
1 160 . 23 1 1 A 14 14 ASN CB C 258 38.023 38.752 -0.729 1
1 161 . 23 1 1 A 14 14 ASN N N 258 123.151 120.252 2.899 1
1 163 . 23 1 1 A 15 15 MET H H 259 8.295 8.984 -0.689 1
1 164 . 23 1 1 A 15 15 MET HA H 259 4.695 5.282 -0.587 1
1 172 . 23 1 1 A 15 15 MET C C 259 174.675 174.349 0.326 1
1 173 . 23 1 1 A 15 15 MET CA C 259 55.153 53.920 1.233 1
1 174 . 23 1 1 A 15 15 MET CB C 259 38.064 37.450 0.614 1
1 177 . 23 1 1 A 15 15 MET N N 259 125.442 120.347 5.095 1
1 178 . 23 1 1 A 16 16 SER H H 260 8.332 8.790 -0.458 1
1 179 . 23 1 1 A 16 16 SER HA H 260 5.261 5.574 -0.313 1
1 182 . 23 1 1 A 16 16 SER C C 260 172.889 173.393 -0.504 1
1 183 . 23 1 1 A 16 16 SER CA C 260 56.748 56.835 -0.087 1
1 184 . 23 1 1 A 16 16 SER CB C 260 64.170 65.804 -1.634 1
1 185 . 23 1 1 A 16 16 SER N N 260 125.417 113.397 12.020 1
1 186 . 23 1 1 A 17 17 ILE H H 261 8.394 8.526 -0.132 1
1 187 . 23 1 1 A 17 17 ILE HA H 261 4.366 4.602 -0.236 1
1 197 . 23 1 1 A 17 17 ILE C C 261 173.465 174.669 -1.204 1
1 198 . 23 1 1 A 17 17 ILE CA C 261 57.461 60.308 -2.847 1
1 199 . 23 1 1 A 17 17 ILE CB C 261 41.882 42.132 -0.250 1
1 203 . 23 1 1 A 17 17 ILE N N 261 131.680 123.967 7.713 1
1 204 . 23 1 1 A 18 18 ASP H H 262 8.043 8.718 -0.675 1
1 205 . 23 1 1 A 18 18 ASP HA H 262 4.498 4.491 0.007 1
1 208 . 23 1 1 A 18 18 ASP C C 262 174.970 176.049 -1.079 1
1 209 . 23 1 1 A 18 18 ASP CA C 262 54.962 54.719 0.243 1
1 210 . 23 1 1 A 18 18 ASP CB C 262 41.518 40.784 0.734 1
1 211 . 23 1 1 A 18 18 ASP N N 262 132.455 127.372 5.083 1
1 212 . 23 1 1 A 19 19 GLU H H 263 8.058 8.657 -0.599 1
1 213 . 23 1 1 A 19 19 GLU HA H 263 3.322 3.896 -0.574 1
1 218 . 23 1 1 A 19 19 GLU C C 263 176.656 177.300 -0.644 1
1 219 . 23 1 1 A 19 19 GLU CA C 263 58.351 58.253 0.098 1
1 220 . 23 1 1 A 19 19 GLU CB C 263 29.716 29.315 0.401 1
1 222 . 23 1 1 A 19 19 GLU N N 263 126.424 124.804 1.620 1
1 223 . 23 1 1 A 20 20 GLY H H 264 9.131 9.081 0.050 1
1 224 . 23 1 1 A 20 20 GLY HA2 H 264 3.366 3.980 -0.614 1
1 225 . 23 1 1 A 20 20 GLY HA3 H 264 4.196 3.980 0.216 1
1 226 . 23 1 1 A 20 20 GLY C C 264 174.582 174.717 -0.135 1
1 227 . 23 1 1 A 20 20 GLY CA C 264 44.837 45.041 -0.204 1
1 228 . 23 1 1 A 20 20 GLY N N 264 119.124 114.927 4.197 1
1 229 . 23 1 1 A 21 21 ARG H H 265 7.192 7.384 -0.192 1
1 230 . 23 1 1 A 21 21 ARG HA H 265 4.377 4.438 -0.061 1
1 238 . 23 1 1 A 21 21 ARG C C 265 174.091 175.760 -1.669 1
1 239 . 23 1 1 A 21 21 ARG CA C 265 55.263 55.886 -0.623 1
1 240 . 23 1 1 A 21 21 ARG CB C 265 31.467 31.719 -0.252 1
1 243 . 23 1 1 A 21 21 ARG N N 265 126.182 120.343 5.839 1
1 245 . 23 1 1 A 22 22 PHE H H 266 7.699 8.811 -1.112 1
1 246 . 23 1 1 A 22 22 PHE HA H 266 4.688 4.924 -0.236 1
1 254 . 23 1 1 A 22 22 PHE C C 266 175.911 175.065 0.846 1
1 255 . 23 1 1 A 22 22 PHE CA C 266 57.132 59.129 -1.997 1
1 256 . 23 1 1 A 22 22 PHE CB C 266 41.270 40.076 1.194 1
1 260 . 23 1 1 A 22 22 PHE N N 266 127.111 122.460 4.651 1
1 261 . 23 1 1 A 23 23 CYS H H 267 8.140 8.334 -0.194 1
1 262 . 23 1 1 A 23 23 CYS HA H 267 4.282 5.004 -0.722 1
1 265 . 23 1 1 A 23 23 CYS C C 267 170.233 172.602 -2.369 1
1 266 . 23 1 1 A 23 23 CYS CA C 267 57.626 58.068 -0.442 1
1 267 . 23 1 1 A 23 23 CYS CB C 267 30.411 32.147 -1.736 1
1 268 . 23 1 1 A 23 23 CYS N N 267 130.194 126.002 4.192 1
1 269 . 23 1 1 A 24 24 ARG H H 268 8.160 8.929 -0.769 1
1 270 . 23 1 1 A 24 24 ARG HA H 268 5.167 5.279 -0.112 1
1 278 . 23 1 1 A 24 24 ARG CA C 268 53.910 53.869 0.041 1
1 279 . 23 1 1 A 24 24 ARG CB C 268 35.114 34.545 0.569 1
1 283 . 23 1 1 A 25 25 MET H H 269 8.839 8.733 0.106 1
1 284 . 23 1 1 A 25 25 MET HA H 269 4.518 5.291 -0.773 1
1 292 . 23 1 1 A 25 25 MET C C 269 174.090 174.095 -0.005 1
1 293 . 23 1 1 A 25 25 MET CA C 269 54.960 53.675 1.285 1
1 294 . 23 1 1 A 25 25 MET CB C 269 35.645 37.612 -1.967 1
1 297 . 23 1 1 A 25 25 MET N N 269 127.757 119.268 8.489 1
1 298 . 23 1 1 A 26 26 ASP H H 270 8.473 9.035 -0.562 1
1 299 . 23 1 1 A 26 26 ASP HA H 270 5.772 5.424 0.348 1
1 302 . 23 1 1 A 26 26 ASP CA C 270 53.157 53.385 -0.228 1
1 303 . 23 1 1 A 26 26 ASP CB C 270 43.595 42.415 1.180 1
1 304 . 23 1 1 A 26 26 ASP N N 270 129.880 120.452 9.428 1
1 305 . 23 1 1 A 27 27 PHE H H 271 9.180 9.262 -0.082 1
1 306 . 23 1 1 A 27 27 PHE HA H 271 5.014 5.036 -0.022 1
1 314 . 23 1 1 A 27 27 PHE CA C 271 55.904 56.706 -0.802 1
1 317 . 23 1 1 A 27 27 PHE N N 271 123.116 123.573 -0.457 1
1 318 . 23 1 1 A 28 28 LYS H H 272 9.221 8.712 0.509 1
1 327 . 23 1 1 A 28 28 LYS CA C 272 59.294 56.510 2.784 1
1 328 . 23 1 1 A 28 28 LYS CB C 272 38.090 33.008 5.082 1
1 332 . 23 1 1 A 28 28 LYS N N 272 131.321 125.398 5.923 1
1 333 . 23 1 1 A 29 29 VAL H H 273 8.304 8.859 -0.555 1
1 334 . 23 1 1 A 29 29 VAL HA H 273 4.331 5.068 -0.737 1
1 342 . 23 1 1 A 29 29 VAL C C 273 175.240 174.817 0.423 1
1 343 . 23 1 1 A 29 29 VAL CA C 273 61.020 60.304 0.716 1
1 344 . 23 1 1 A 29 29 VAL CB C 273 33.889 35.758 -1.869 1
1 347 . 23 1 1 A 30 30 SER H H 274 8.545 9.030 -0.485 1
1 348 . 23 1 1 A 30 30 SER HA H 274 4.647 4.903 -0.256 1
1 351 . 23 1 1 A 30 30 SER C C 274 172.993 173.108 -0.115 1
1 352 . 23 1 1 A 30 30 SER CA C 274 56.505 56.447 0.058 1
1 353 . 23 1 1 A 30 30 SER CB C 274 65.805 65.319 0.486 1
1 354 . 23 1 1 A 30 30 SER N N 274 129.796 120.365 9.431 1
1 355 . 23 1 1 A 31 31 GLY H H 275 7.712 8.594 -0.882 1
1 356 . 23 1 1 A 31 31 GLY HA2 H 275 3.220 4.132 -0.912 1
1 357 . 23 1 1 A 31 31 GLY HA3 H 275 3.649 4.138 -0.489 1
1 358 . 23 1 1 A 31 31 GLY C C 275 170.984 171.820 -0.836 1
1 359 . 23 1 1 A 31 31 GLY CA C 275 45.099 44.079 1.020 1
1 360 . 23 1 1 A 31 31 GLY N N 275 115.009 111.089 3.920 1
1 361 . 23 1 1 A 32 32 LEU H H 276 7.668 8.353 -0.685 1
1 362 . 23 1 1 A 32 32 LEU HA H 276 4.301 4.861 -0.560 1
1 372 . 23 1 1 A 32 32 LEU C C 276 173.812 174.499 -0.687 1
1 373 . 23 1 1 A 32 32 LEU CA C 276 52.370 51.546 0.824 1
1 374 . 23 1 1 A 32 32 LEU CB C 276 45.554 45.949 -0.395 1
1 378 . 23 1 1 A 32 32 LEU N N 276 129.727 121.212 8.515 1
1 379 . 23 1 1 A 33 33 PRO HA H 277 4.416 4.629 -0.213 1
1 386 . 23 1 1 A 33 33 PRO CA C 277 62.576 62.371 0.205 1
1 387 . 23 1 1 A 33 33 PRO CB C 277 35.012 32.586 2.426 1
1 390 . 23 1 1 A 34 34 ALA H H 278 8.598 8.328 0.270 1
1 391 . 23 1 1 A 34 34 ALA HA H 278 4.153 4.315 -0.162 1
1 395 . 23 1 1 A 34 34 ALA CA C 278 50.822 50.700 0.122 1
1 396 . 23 1 1 A 34 34 ALA CB C 278 17.462 18.868 -1.406 1
1 397 . 23 1 1 A 34 34 ALA N N 278 131.518 124.305 7.213 1
1 398 . 23 1 1 A 35 35 PRO HA H 279 4.206 4.487 -0.281 1
1 405 . 23 1 1 A 35 35 PRO C C 279 175.701 175.955 -0.254 1
1 406 . 23 1 1 A 35 35 PRO CA C 279 62.628 62.531 0.097 1
1 407 . 23 1 1 A 35 35 PRO CB C 279 33.069 31.994 1.075 1
1 410 . 23 1 1 A 36 36 ASP H H 280 8.621 8.441 0.180 1
1 411 . 23 1 1 A 36 36 ASP HA H 280 4.659 4.737 -0.078 1
1 414 . 23 1 1 A 36 36 ASP C C 280 176.057 175.832 0.225 1
1 415 . 23 1 1 A 36 36 ASP CA C 280 54.307 54.044 0.263 1
1 416 . 23 1 1 A 36 36 ASP CB C 280 42.741 41.852 0.889 1
1 417 . 23 1 1 A 36 36 ASP N N 280 127.555 122.049 5.506 1
1 418 . 23 1 1 A 37 37 VAL H H 281 8.635 8.949 -0.314 1
1 419 . 23 1 1 A 37 37 VAL HA H 281 4.938 4.985 -0.047 1
1 427 . 23 1 1 A 37 37 VAL CA C 281 61.135 59.828 1.307 1
1 428 . 23 1 1 A 37 37 VAL CB C 281 34.579 34.696 -0.117 1
1 431 . 23 1 1 A 38 38 SER H H 282 8.591 8.907 -0.316 1
1 432 . 23 1 1 A 38 38 SER HA H 282 4.518 5.225 -0.707 1
1 435 . 23 1 1 A 38 38 SER CA C 282 57.540 57.460 0.080 1
1 436 . 23 1 1 A 38 38 SER CB C 282 66.530 65.502 1.028 1
1 437 . 23 1 1 A 38 38 SER N N 282 128.264 120.714 7.550 1
1 438 . 23 1 1 A 39 39 TRP H H 283 8.426 8.788 -0.362 1
1 439 . 23 1 1 A 39 39 TRP HA H 283 5.297 5.420 -0.123 1
1 448 . 23 1 1 A 39 39 TRP CA C 283 56.298 56.679 -0.381 1
1 449 . 23 1 1 A 39 39 TRP CB C 283 33.153 31.657 1.496 1
1 455 . 23 1 1 A 39 39 TRP N N 283 127.698 127.221 0.477 1
1 456 . 23 1 1 A 40 40 TYR H H 284 9.373 9.351 0.022 1
1 457 . 23 1 1 A 40 40 TYR HA H 284 4.903 5.422 -0.519 1
1 464 . 23 1 1 A 40 40 TYR C C 284 174.148 174.649 -0.501 1
1 465 . 23 1 1 A 40 40 TYR CA C 284 56.849 56.303 0.546 1
1 466 . 23 1 1 A 40 40 TYR CB C 284 42.754 43.315 -0.561 1
1 469 . 23 1 1 A 40 40 TYR N N 284 125.437 119.792 5.645 1
1 470 . 23 1 1 A 41 41 LEU H H 285 8.898 9.188 -0.290 1
1 471 . 23 1 1 A 41 41 LEU HA H 285 4.255 4.614 -0.359 1
1 481 . 23 1 1 A 41 41 LEU C C 285 176.606 175.483 1.123 1
1 482 . 23 1 1 A 41 41 LEU CA C 285 53.659 53.974 -0.315 1
1 483 . 23 1 1 A 41 41 LEU CB C 285 43.740 44.714 -0.974 1
1 487 . 23 1 1 A 41 41 LEU N N 285 129.512 122.555 6.957 1
1 488 . 23 1 1 A 42 42 ASN H H 286 9.454 9.451 0.003 1
1 489 . 23 1 1 A 42 42 ASN HA H 286 4.221 4.419 -0.198 1
1 494 . 23 1 1 A 42 42 ASN C C 286 175.692 175.347 0.345 1
1 495 . 23 1 1 A 42 42 ASN CA C 286 54.239 54.340 -0.101 1
1 496 . 23 1 1 A 42 42 ASN CB C 286 37.331 36.880 0.451 1
1 497 . 23 1 1 A 42 42 ASN N N 286 134.097 126.390 7.707 1
1 499 . 23 1 1 A 43 43 GLY H H 287 8.709 8.401 0.308 1
1 500 . 23 1 1 A 43 43 GLY HA2 H 287 3.356 4.008 -0.652 1
1 501 . 23 1 1 A 43 43 GLY HA3 H 287 3.995 4.011 -0.016 1
1 502 . 23 1 1 A 43 43 GLY C C 287 173.786 174.756 -0.970 1
1 503 . 23 1 1 A 43 43 GLY CA C 287 45.450 45.115 0.335 1
1 504 . 23 1 1 A 43 43 GLY N N 287 108.807 105.180 3.627 1
1 505 . 23 1 1 A 44 44 ARG H H 288 7.902 7.573 0.329 1
1 506 . 23 1 1 A 44 44 ARG HA H 288 4.697 4.555 0.142 1
1 514 . 23 1 1 A 44 44 ARG C C 288 175.799 176.306 -0.507 1
1 515 . 23 1 1 A 44 44 ARG CA C 288 54.658 55.493 -0.835 1
1 516 . 23 1 1 A 44 44 ARG CB C 288 32.436 31.513 0.923 1
1 519 . 23 1 1 A 44 44 ARG N N 288 127.837 120.296 7.541 1
1 521 . 23 1 1 A 45 45 THR H H 289 8.539 8.635 -0.096 1
1 522 . 23 1 1 A 45 45 THR HA H 289 3.763 4.278 -0.515 1
1 527 . 23 1 1 A 45 45 THR C C 289 174.692 174.216 0.476 1
1 528 . 23 1 1 A 45 45 THR CA C 289 63.977 61.507 2.470 1
1 529 . 23 1 1 A 45 45 THR CB C 289 69.706 69.962 -0.256 1
1 531 . 23 1 1 A 45 45 THR N N 289 126.100 113.663 12.437 1
1 532 . 23 1 1 A 46 46 VAL H H 290 8.033 8.442 -0.409 1
1 533 . 23 1 1 A 46 46 VAL HA H 290 3.647 4.480 -0.833 1
1 541 . 23 1 1 A 46 46 VAL C C 290 174.672 175.299 -0.627 1
1 542 . 23 1 1 A 46 46 VAL CA C 290 62.458 61.497 0.961 1
1 543 . 23 1 1 A 46 46 VAL CB C 290 32.500 33.864 -1.364 1
1 546 . 23 1 1 A 46 46 VAL N N 290 134.795 121.658 13.137 1
1 547 . 23 1 1 A 47 47 GLN H H 291 8.124 8.499 -0.375 1
1 548 . 23 1 1 A 47 47 GLN HA H 291 4.281 4.339 -0.058 1
1 555 . 23 1 1 A 47 47 GLN C C 291 175.398 175.845 -0.447 1
1 556 . 23 1 1 A 47 47 GLN CA C 291 54.235 56.331 -2.096 1
1 557 . 23 1 1 A 47 47 GLN CB C 291 30.283 29.484 0.799 1
1 559 . 23 1 1 A 47 47 GLN N N 291 132.792 126.507 6.285 1
1 561 . 23 1 1 A 48 48 SER H H 292 8.280 8.458 -0.178 1
1 562 . 23 1 1 A 48 48 SER HA H 292 4.308 4.525 -0.217 1
1 565 . 23 1 1 A 48 48 SER C C 292 174.304 173.657 0.647 1
1 566 . 23 1 1 A 48 48 SER CA C 292 58.222 58.354 -0.132 1
1 567 . 23 1 1 A 48 48 SER CB C 292 63.719 64.030 -0.311 1
1 568 . 23 1 1 A 48 48 SER N N 292 123.481 117.432 6.049 1
1 569 . 23 1 1 A 49 49 ASP H H 293 9.050 9.096 -0.046 1
1 570 . 23 1 1 A 49 49 ASP HA H 293 4.482 4.903 -0.421 1
1 573 . 23 1 1 A 49 49 ASP C C 293 176.099 176.061 0.038 1
1 574 . 23 1 1 A 49 49 ASP CA C 293 53.668 53.220 0.448 1
1 575 . 23 1 1 A 49 49 ASP CB C 293 40.100 41.959 -1.859 1
1 576 . 23 1 1 A 49 49 ASP N N 293 131.157 120.486 10.671 1
1 577 . 23 1 1 A 50 50 ASP H H 294 8.324 8.820 -0.496 1
1 578 . 23 1 1 A 50 50 ASP HA H 294 4.167 4.345 -0.178 1
1 581 . 23 1 1 A 50 50 ASP C C 294 176.520 176.671 -0.151 1
1 582 . 23 1 1 A 50 50 ASP CA C 294 57.367 56.190 1.177 1
1 583 . 23 1 1 A 50 50 ASP CB C 294 40.226 40.586 -0.360 1
1 584 . 23 1 1 A 50 50 ASP N N 294 122.206 118.463 3.743 1
1 585 . 23 1 1 A 51 51 LEU H H 295 7.749 7.838 -0.089 1
1 586 . 23 1 1 A 51 51 LEU HA H 295 4.281 4.364 -0.083 1
1 596 . 23 1 1 A 51 51 LEU C C 295 175.716 175.724 -0.008 1
1 597 . 23 1 1 A 51 51 LEU CA C 295 54.407 54.750 -0.343 1
1 598 . 23 1 1 A 51 51 LEU CB C 295 43.849 43.093 0.756 1
1 602 . 23 1 1 A 51 51 LEU N N 295 121.836 117.017 4.819 1
1 603 . 23 1 1 A 52 52 HIS H H 296 7.548 7.555 -0.007 1
1 604 . 23 1 1 A 52 52 HIS HA H 296 5.091 4.930 0.161 1
1 609 . 23 1 1 A 52 52 HIS C C 296 172.683 173.160 -0.477 1
1 610 . 23 1 1 A 52 52 HIS CA C 296 54.900 54.004 0.896 1
1 611 . 23 1 1 A 52 52 HIS CB C 296 28.894 30.933 -2.039 1
1 614 . 23 1 1 A 52 52 HIS N N 296 126.326 116.477 9.849 1
1 615 . 23 1 1 A 53 53 LYS H H 297 8.515 8.526 -0.011 1
1 616 . 23 1 1 A 53 53 LYS HA H 297 4.608 4.801 -0.193 1
1 625 . 23 1 1 A 53 53 LYS C C 297 174.797 175.708 -0.911 1
1 626 . 23 1 1 A 53 53 LYS CA C 297 54.303 54.857 -0.554 1
1 627 . 23 1 1 A 53 53 LYS CB C 297 35.705 34.513 1.192 1
1 631 . 23 1 1 A 53 53 LYS N N 297 127.067 124.760 2.307 1
1 632 . 23 1 1 A 54 54 MET H H 298 8.379 8.858 -0.479 1
1 633 . 23 1 1 A 54 54 MET HA H 298 5.091 5.255 -0.164 1
1 641 . 23 1 1 A 54 54 MET CA C 298 55.427 54.328 1.099 1
1 642 . 23 1 1 A 54 54 MET CB C 298 34.100 35.052 -0.952 1
1 645 . 23 1 1 A 54 54 MET N N 298 128.992 122.561 6.431 1
1 646 . 23 1 1 A 55 55 ILE H H 299 8.279 8.566 -0.287 1
1 647 . 23 1 1 A 55 55 ILE HA H 299 4.602 5.151 -0.549 1
1 657 . 23 1 1 A 55 55 ILE CA C 299 59.130 59.033 0.097 1
1 658 . 23 1 1 A 55 55 ILE CB C 299 42.747 42.447 0.300 1
1 662 . 23 1 1 A 56 56 VAL H H 300 9.227 8.713 0.514 1
1 663 . 23 1 1 A 56 56 VAL HA H 300 4.912 4.640 0.272 1
1 671 . 23 1 1 A 56 56 VAL CA C 300 59.226 61.233 -2.007 1
1 672 . 23 1 1 A 56 56 VAL CB C 300 36.406 33.731 2.675 1
1 675 . 23 1 1 A 57 57 SER H H 301 8.794 8.943 -0.149 1
1 676 . 23 1 1 A 57 57 SER HA H 301 4.575 4.514 0.061 1
1 679 . 23 1 1 A 57 57 SER CA C 301 56.558 58.485 -1.927 1
1 680 . 23 1 1 A 57 57 SER CB C 301 65.617 64.210 1.407 1
1 681 . 23 1 1 A 57 57 SER N N 301 128.893 123.716 5.177 1
1 682 . 23 1 1 A 58 58 GLU HA H 302 4.013 3.971 0.042 1
1 687 . 23 1 1 A 58 58 GLU CA C 302 58.165 57.478 0.687 1
1 688 . 23 1 1 A 58 58 GLU CB C 302 29.508 29.714 -0.206 1
1 690 . 23 1 1 A 59 59 LYS HA H 303 4.114 3.989 0.125 1
1 699 . 23 1 1 A 59 59 LYS C C 303 176.755 176.739 0.016 1
1 700 . 23 1 1 A 59 59 LYS CA C 303 55.913 57.495 -1.582 1
1 701 . 23 1 1 A 59 59 LYS CB C 303 31.679 30.404 1.275 1
1 705 . 23 1 1 A 60 60 GLY H H 304 7.813 8.219 -0.406 1
1 706 . 23 1 1 A 60 60 GLY HA2 H 304 4.037 3.982 0.055 1
1 707 . 23 1 1 A 60 60 GLY HA3 H 304 3.411 3.987 -0.576 1
1 708 . 23 1 1 A 60 60 GLY C C 304 173.480 174.257 -0.777 1
1 709 . 23 1 1 A 60 60 GLY CA C 304 45.955 46.609 -0.654 1
1 710 . 23 1 1 A 60 60 GLY N N 304 113.597 105.544 8.053 1
1 711 . 23 1 1 A 61 61 LEU H H 305 7.253 7.407 -0.154 1
1 712 . 23 1 1 A 61 61 LEU HA H 305 4.396 4.966 -0.570 1
1 722 . 23 1 1 A 61 61 LEU CA C 305 54.825 53.644 1.181 1
1 723 . 23 1 1 A 61 61 LEU CB C 305 43.099 44.090 -0.991 1
1 727 . 23 1 1 A 61 61 LEU N N 305 128.081 120.951 7.130 1
1 728 . 23 1 1 A 62 62 HIS H H 306 8.294 9.138 -0.844 1
1 733 . 23 1 1 A 62 62 HIS N N 306 130.344 127.950 2.394 1
1 734 . 23 1 1 A 63 63 SER HA H 307 5.980 4.782 1.198 1
1 737 . 23 1 1 A 63 63 SER CA C 307 57.517 58.502 -0.985 1
1 738 . 23 1 1 A 63 63 SER CB C 307 66.760 64.016 2.744 1
1 739 . 23 1 1 A 64 64 LEU H H 308 8.827 8.151 0.676 1
1 740 . 23 1 1 A 64 64 LEU HA H 308 4.657 4.533 0.124 1
1 750 . 23 1 1 A 64 64 LEU C C 308 174.337 174.366 -0.029 1
1 751 . 23 1 1 A 64 64 LEU CA C 308 54.386 53.411 0.975 1
1 752 . 23 1 1 A 64 64 LEU CB C 308 42.678 44.766 -2.088 1
1 756 . 23 1 1 A 65 65 ILE H H 309 9.009 8.808 0.201 1
1 757 . 23 1 1 A 65 65 ILE HA H 309 3.880 4.710 -0.830 1
1 767 . 23 1 1 A 65 65 ILE C C 309 173.963 174.131 -0.168 1
1 768 . 23 1 1 A 65 65 ILE CA C 309 60.296 59.643 0.653 1
1 769 . 23 1 1 A 65 65 ILE CB C 309 40.727 40.451 0.276 1
1 773 . 23 1 1 A 65 65 ILE N N 309 133.046 127.104 5.942 1
1 774 . 23 1 1 A 66 66 PHE H H 310 8.508 8.883 -0.375 1
1 775 . 23 1 1 A 66 66 PHE HA H 310 4.367 4.782 -0.415 1
1 783 . 23 1 1 A 66 66 PHE C C 310 174.555 175.724 -1.169 1
1 784 . 23 1 1 A 66 66 PHE CA C 310 54.878 55.819 -0.941 1
1 785 . 23 1 1 A 66 66 PHE CB C 310 38.819 40.213 -1.394 1
1 789 . 23 1 1 A 66 66 PHE N N 310 132.294 125.790 6.504 1
1 790 . 23 1 1 A 67 67 GLU H H 311 7.879 8.788 -0.909 1
1 791 . 23 1 1 A 67 67 GLU HA H 311 4.025 4.433 -0.408 1
1 796 . 23 1 1 A 67 67 GLU C C 311 177.819 177.156 0.663 1
1 797 . 23 1 1 A 67 67 GLU CA C 311 59.266 59.169 0.097 1
1 798 . 23 1 1 A 67 67 GLU CB C 311 30.421 30.720 -0.299 1
1 800 . 23 1 1 A 67 67 GLU N N 311 127.092 124.183 2.909 1
1 801 . 23 1 1 A 68 68 VAL H H 312 7.428 7.562 -0.134 1
1 802 . 23 1 1 A 68 68 VAL HA H 312 3.402 4.478 -1.076 1
1 810 . 23 1 1 A 68 68 VAL C C 312 173.921 174.094 -0.173 1
1 811 . 23 1 1 A 68 68 VAL CA C 312 61.444 61.120 0.324 1
1 812 . 23 1 1 A 68 68 VAL CB C 312 34.790 32.834 1.956 1
1 815 . 23 1 1 A 68 68 VAL N N 312 120.315 116.816 3.499 1
1 816 . 23 1 1 A 69 69 VAL H H 313 8.233 8.628 -0.395 1
1 817 . 23 1 1 A 69 69 VAL HA H 313 3.829 4.165 -0.336 1
1 825 . 23 1 1 A 69 69 VAL C C 313 175.123 174.916 0.207 1
1 826 . 23 1 1 A 69 69 VAL CA C 313 63.200 62.528 0.672 1
1 827 . 23 1 1 A 69 69 VAL CB C 313 32.836 32.591 0.245 1
1 830 . 23 1 1 A 69 69 VAL N N 313 132.928 128.851 4.077 1
1 831 . 23 1 1 A 70 70 ARG H H 314 9.259 8.988 0.271 1
1 832 . 23 1 1 A 70 70 ARG HA H 314 4.776 4.727 0.049 1
1 839 . 23 1 1 A 70 70 ARG C C 314 177.491 176.856 0.635 1
1 840 . 23 1 1 A 70 70 ARG CA C 314 53.728 54.140 -0.412 1
1 841 . 23 1 1 A 70 70 ARG CB C 314 34.282 32.715 1.567 1
1 844 . 23 1 1 A 70 70 ARG N N 314 133.209 127.483 5.726 1
1 845 . 23 1 1 A 71 71 ALA H H 315 9.059 8.873 0.186 1
1 846 . 23 1 1 A 71 71 ALA HA H 315 3.676 4.010 -0.334 1
1 850 . 23 1 1 A 71 71 ALA C C 315 180.122 179.398 0.724 1
1 851 . 23 1 1 A 71 71 ALA CA C 315 56.356 55.147 1.209 1
1 852 . 23 1 1 A 71 71 ALA CB C 315 17.923 18.433 -0.510 1
1 853 . 23 1 1 A 71 71 ALA N N 315 131.839 124.518 7.321 1
1 854 . 23 1 1 A 72 72 SER H H 316 7.735 8.007 -0.272 1
1 855 . 23 1 1 A 72 72 SER HA H 316 4.046 4.127 -0.081 1
1 858 . 23 1 1 A 72 72 SER C C 316 175.495 175.919 -0.424 1
1 859 . 23 1 1 A 72 72 SER CA C 316 60.037 61.056 -1.019 1
1 860 . 23 1 1 A 72 72 SER CB C 316 62.381 63.132 -0.751 1
1 861 . 23 1 1 A 72 72 SER N N 316 115.841 113.292 2.549 1
1 862 . 23 1 1 A 73 73 ASP H H 317 8.175 7.885 0.290 1
1 863 . 23 1 1 A 73 73 ASP HA H 317 4.644 4.703 -0.059 1
1 866 . 23 1 1 A 73 73 ASP C C 317 176.176 176.262 -0.086 1
1 867 . 23 1 1 A 73 73 ASP CA C 317 55.305 55.058 0.247 1
1 868 . 23 1 1 A 73 73 ASP CB C 317 42.572 41.309 1.263 1
1 869 . 23 1 1 A 73 73 ASP N N 317 126.327 119.135 7.192 1
1 870 . 23 1 1 A 74 74 ALA H H 318 7.339 6.943 0.396 1
1 871 . 23 1 1 A 74 74 ALA HA H 318 4.013 4.258 -0.245 1
1 875 . 23 1 1 A 74 74 ALA C C 318 176.813 177.274 -0.461 1
1 876 . 23 1 1 A 74 74 ALA CA C 318 53.570 53.041 0.529 1
1 877 . 23 1 1 A 74 74 ALA CB C 318 20.548 20.487 0.061 1
1 878 . 23 1 1 A 74 74 ALA N N 318 127.859 122.025 5.834 1
1 879 . 23 1 1 A 75 75 GLY H H 319 8.797 8.740 0.057 1
1 880 . 23 1 1 A 75 75 GLY HA2 H 319 3.599 4.072 -0.473 1
1 881 . 23 1 1 A 75 75 GLY HA3 H 319 4.239 4.124 0.115 1
1 882 . 23 1 1 A 75 75 GLY C C 319 170.102 172.371 -2.269 1
1 883 . 23 1 1 A 75 75 GLY CA C 319 45.105 44.108 0.997 1
1 884 . 23 1 1 A 75 75 GLY N N 319 114.261 107.155 7.106 1
1 885 . 23 1 1 A 76 76 ALA H H 320 7.621 8.070 -0.449 1
1 886 . 23 1 1 A 76 76 ALA HA H 320 4.521 4.782 -0.261 1
1 890 . 23 1 1 A 76 76 ALA C C 320 176.291 176.551 -0.260 1
1 891 . 23 1 1 A 76 76 ALA CA C 320 51.158 51.562 -0.404 1
1 892 . 23 1 1 A 76 76 ALA CB C 320 19.242 19.361 -0.119 1
1 893 . 23 1 1 A 76 76 ALA N N 320 129.042 122.934 6.108 1
1 894 . 23 1 1 A 77 77 TYR H H 321 9.406 8.828 0.578 1
1 895 . 23 1 1 A 77 77 TYR HA H 321 5.237 5.250 -0.013 1
1 903 . 23 1 1 A 77 77 TYR C C 321 175.676 176.078 -0.402 1
1 904 . 23 1 1 A 77 77 TYR CA C 321 57.779 58.188 -0.409 1
1 905 . 23 1 1 A 77 77 TYR CB C 321 40.623 40.012 0.611 1
1 908 . 23 1 1 A 77 77 TYR N N 321 132.635 124.153 8.482 1
1 909 . 23 1 1 A 78 78 ALA H H 322 9.084 9.129 -0.045 1
1 910 . 23 1 1 A 78 78 ALA HA H 322 5.031 5.392 -0.361 1
1 914 . 23 1 1 A 78 78 ALA CA C 322 50.120 51.407 -1.287 1
1 915 . 23 1 1 A 78 78 ALA CB C 322 21.653 24.185 -2.532 1
1 916 . 23 1 1 A 78 78 ALA N N 322 130.291 122.256 8.035 1
1 917 . 23 1 1 A 79 79 CYS H H 323 7.932 8.875 -0.943 1
1 918 . 23 1 1 A 79 79 CYS HA H 323 4.037 4.782 -0.745 1
1 919 . 23 1 1 A 79 79 CYS C C 323 173.727 173.002 0.725 1
1 920 . 23 1 1 A 79 79 CYS CA C 323 56.345 56.983 -0.638 1
1 921 . 23 1 1 A 80 80 VAL H H 324 8.671 9.102 -0.431 1
1 922 . 23 1 1 A 80 80 VAL HA H 324 4.596 4.582 0.014 1
1 930 . 23 1 1 A 80 80 VAL C C 324 174.904 175.422 -0.518 1
1 931 . 23 1 1 A 80 80 VAL CA C 324 60.907 61.755 -0.848 1
1 932 . 23 1 1 A 80 80 VAL CB C 324 34.334 32.433 1.901 1
1 934 . 23 1 1 A 80 80 VAL N N 324 135.079 127.321 7.758 1
1 935 . 23 1 1 A 81 81 ALA H H 325 9.107 9.218 -0.111 1
1 936 . 23 1 1 A 81 81 ALA HA H 325 5.220 5.537 -0.317 1
1 940 . 23 1 1 A 81 81 ALA C C 325 175.446 175.964 -0.518 1
1 941 . 23 1 1 A 81 81 ALA CA C 325 49.197 50.144 -0.947 1
1 942 . 23 1 1 A 81 81 ALA CB C 325 22.479 21.779 0.700 1
1 943 . 23 1 1 A 81 81 ALA N N 325 136.369 129.553 6.816 1
1 944 . 23 1 1 A 82 82 LYS H H 326 8.734 8.983 -0.249 1
1 945 . 23 1 1 A 82 82 LYS HA H 326 5.021 5.220 -0.199 1
1 954 . 23 1 1 A 82 82 LYS C C 326 175.054 175.321 -0.267 1
1 955 . 23 1 1 A 82 82 LYS CA C 326 55.451 54.730 0.721 1
1 956 . 23 1 1 A 82 82 LYS CB C 326 37.852 35.922 1.930 1
1 960 . 23 1 1 A 82 82 LYS N N 326 128.038 122.738 5.300 1
1 961 . 23 1 1 A 83 83 ASN H H 327 8.949 8.745 0.204 1
1 962 . 23 1 1 A 83 83 ASN HA H 327 4.624 5.113 -0.489 1
1 967 . 23 1 1 A 83 83 ASN C C 327 176.409 175.598 0.811 1
1 968 . 23 1 1 A 83 83 ASN CA C 327 51.838 51.314 0.524 1
1 969 . 23 1 1 A 83 83 ASN CB C 327 40.927 39.931 0.996 1
1 970 . 23 1 1 A 83 83 ASN N N 327 128.769 121.544 7.225 1
1 972 . 23 1 1 A 84 84 ARG H H 328 8.203 9.111 -0.908 1
1 973 . 23 1 1 A 84 84 ARG HA H 328 3.917 4.077 -0.160 1
1 981 . 23 1 1 A 84 84 ARG C C 328 175.820 176.103 -0.283 1
1 982 . 23 1 1 A 84 84 ARG CA C 328 58.250 58.066 0.184 1
1 983 . 23 1 1 A 84 84 ARG CB C 328 29.985 29.648 0.337 1
1 986 . 23 1 1 A 84 84 ARG N N 328 121.021 117.815 3.206 1
1 988 . 23 1 1 A 85 85 ALA H H 329 7.599 8.011 -0.412 1
1 989 . 23 1 1 A 85 85 ALA HA H 329 4.279 4.472 -0.193 1
1 993 . 23 1 1 A 85 85 ALA C C 329 177.261 177.022 0.239 1
1 994 . 23 1 1 A 85 85 ALA CA C 329 51.905 51.942 -0.037 1
1 995 . 23 1 1 A 85 85 ALA CB C 329 19.637 20.514 -0.877 1
1 996 . 23 1 1 A 85 85 ALA N N 329 125.074 121.683 3.391 1
1 997 . 23 1 1 A 86 86 GLY H H 330 7.624 7.123 0.501 1
1 998 . 23 1 1 A 86 86 GLY HA2 H 330 3.806 4.030 -0.224 1
1 999 . 23 1 1 A 86 86 GLY HA3 H 330 4.164 4.042 0.122 1
1 1000 . 23 1 1 A 86 86 GLY C C 330 169.646 170.835 -1.189 1
1 1001 . 23 1 1 A 86 86 GLY CA C 330 46.012 45.860 0.152 1
1 1002 . 23 1 1 A 86 86 GLY N N 330 112.891 103.358 9.533 1
1 1003 . 23 1 1 A 87 87 GLU H H 331 8.213 8.448 -0.235 1
1 1004 . 23 1 1 A 87 87 GLU HA H 331 5.274 5.350 -0.076 1
1 1009 . 23 1 1 A 87 87 GLU C C 331 174.418 174.575 -0.157 1
1 1010 . 23 1 1 A 87 87 GLU CA C 331 54.349 54.877 -0.528 1
1 1011 . 23 1 1 A 87 87 GLU CB C 331 34.615 33.624 0.991 1
1 1013 . 23 1 1 A 87 87 GLU N N 331 123.208 120.227 2.981 1
1 1014 . 23 1 1 A 88 88 ALA H H 332 8.897 8.892 0.005 1
1 1015 . 23 1 1 A 88 88 ALA HA H 332 4.569 5.052 -0.483 1
1 1019 . 23 1 1 A 88 88 ALA C C 332 175.121 175.461 -0.340 1
1 1020 . 23 1 1 A 88 88 ALA CA C 332 51.592 50.567 1.025 1
1 1021 . 23 1 1 A 88 88 ALA CB C 332 23.324 23.607 -0.283 1
1 1022 . 23 1 1 A 88 88 ALA N N 332 131.757 125.841 5.916 1
1 1023 . 23 1 1 A 89 89 THR H H 333 8.521 8.708 -0.187 1
1 1024 . 23 1 1 A 89 89 THR HA H 333 5.661 5.208 0.453 1
1 1029 . 23 1 1 A 89 89 THR C C 333 173.827 173.478 0.349 1
1 1030 . 23 1 1 A 89 89 THR CA C 333 60.601 61.023 -0.422 1
1 1031 . 23 1 1 A 89 89 THR CB C 333 72.140 71.760 0.380 1
1 1033 . 23 1 1 A 89 89 THR N N 333 121.100 114.535 6.565 1
1 1034 . 23 1 1 A 90 90 PHE H H 334 8.603 9.246 -0.643 1
1 1035 . 23 1 1 A 90 90 PHE HA H 334 4.624 5.461 -0.837 1
1 1043 . 23 1 1 A 90 90 PHE CA C 334 56.618 56.210 0.408 1
1 1044 . 23 1 1 A 90 90 PHE CB C 334 42.489 42.569 -0.080 1
1 1048 . 23 1 1 A 91 91 THR H H 335 8.174 8.945 -0.771 1
1 1049 . 23 1 1 A 91 91 THR HA H 335 5.445 5.326 0.119 1
1 1054 . 23 1 1 A 91 91 THR CA C 335 60.110 61.440 -1.330 1
1 1055 . 23 1 1 A 91 91 THR CB C 335 71.671 72.284 -0.613 1
1 1057 . 23 1 1 A 92 92 VAL H H 336 9.158 8.990 0.168 1
1 1058 . 23 1 1 A 92 92 VAL HA H 336 4.432 4.909 -0.477 1
1 1066 . 23 1 1 A 92 92 VAL C C 336 171.594 173.242 -1.648 1
1 1067 . 23 1 1 A 92 92 VAL CA C 336 60.914 59.973 0.941 1
1 1068 . 23 1 1 A 92 92 VAL CB C 336 35.760 35.983 -0.223 1
1 1071 . 23 1 1 A 92 92 VAL N N 336 130.220 121.975 8.245 1
1 1072 . 23 1 1 A 93 93 GLN H H 337 8.302 8.600 -0.298 1
1 1073 . 23 1 1 A 93 93 GLN HA H 337 4.756 5.349 -0.593 1
1 1080 . 23 1 1 A 93 93 GLN C C 337 174.009 173.412 0.597 1
1 1081 . 23 1 1 A 93 93 GLN CA C 337 54.672 54.299 0.373 1
1 1082 . 23 1 1 A 93 93 GLN CB C 337 30.071 32.466 -2.395 1
1 1084 . 23 1 1 A 93 93 GLN N N 337 133.412 125.855 7.557 1
1 1086 . 23 1 1 A 94 94 LEU H H 338 8.812 9.228 -0.416 1
1 1087 . 23 1 1 A 94 94 LEU HA H 338 4.836 5.009 -0.173 1
1 1097 . 23 1 1 A 94 94 LEU C C 338 175.099 174.541 0.558 1
1 1098 . 23 1 1 A 94 94 LEU CA C 338 53.725 53.843 -0.118 1
1 1099 . 23 1 1 A 94 94 LEU CB C 338 44.955 45.071 -0.116 1
1 1103 . 23 1 1 A 94 94 LEU N N 338 133.816 128.008 5.808 1
1 1104 . 23 1 1 A 95 95 ASP H H 339 8.747 9.034 -0.287 1
1 1105 . 23 1 1 A 95 95 ASP HA H 339 4.871 4.933 -0.062 1
1 1108 . 23 1 1 A 95 95 ASP C C 339 174.295 175.123 -0.828 1
1 1109 . 23 1 1 A 95 95 ASP CA C 339 53.311 53.371 -0.060 1
1 1110 . 23 1 1 A 95 95 ASP CB C 339 42.895 40.131 2.764 1
1 1111 . 23 1 1 A 95 95 ASP N N 339 134.770 127.037 7.733 1
1 1112 . 23 1 1 A 96 96 VAL H H 340 7.745 8.180 -0.435 1
1 1113 . 23 1 1 A 96 96 VAL HA H 340 4.653 4.092 0.561 1
1 1121 . 23 1 1 A 96 96 VAL C C 340 175.494 175.465 0.029 1
1 1122 . 23 1 1 A 96 96 VAL CA C 340 60.722 62.968 -2.246 1
1 1123 . 23 1 1 A 96 96 VAL CB C 340 33.852 31.490 2.362 1
1 1126 . 23 1 1 A 96 96 VAL N N 340 128.328 124.014 4.314 1
1 1127 . 23 1 1 A 97 97 LEU H H 341 8.524 8.899 -0.375 1
1 1128 . 23 1 1 A 97 97 LEU HA H 341 4.243 4.580 -0.337 1
1 1138 . 23 1 1 A 97 97 LEU C C 341 176.052 176.421 -0.369 1
1 1139 . 23 1 1 A 97 97 LEU CA C 341 54.086 54.407 -0.321 1
1 1140 . 23 1 1 A 97 97 LEU CB C 341 41.446 40.988 0.458 1
1 1144 . 23 1 1 A 97 97 LEU N N 341 136.554 129.522 7.032 1
1 1145 . 23 1 1 A 98 98 ALA H H 342 8.344 8.645 -0.301 1
1 1146 . 23 1 1 A 98 98 ALA HA H 342 4.227 4.297 -0.070 1
1 1150 . 23 1 1 A 98 98 ALA C C 342 177.569 178.244 -0.675 1
1 1151 . 23 1 1 A 98 98 ALA CA C 342 51.964 52.246 -0.282 1
1 1152 . 23 1 1 A 98 98 ALA CB C 342 19.976 19.167 0.809 1
1 1153 . 23 1 1 A 98 98 ALA N N 342 134.558 128.129 6.429 1
1 1154 . 23 1 1 A 99 99 LYS H H 343 8.552 8.980 -0.428 1
1 1155 . 23 1 1 A 99 99 LYS HA H 343 4.119 4.030 0.089 1
1 1164 . 23 1 1 A 99 99 LYS C C 343 175.859 178.474 -2.615 1
1 1165 . 23 1 1 A 99 99 LYS CA C 343 56.453 59.642 -3.189 1
1 1166 . 23 1 1 A 99 99 LYS CB C 343 33.257 32.398 0.859 1
1 1170 . 23 1 1 A 99 99 LYS N N 343 128.906 122.126 6.780 1
1 4 . 24 1 1 A 2 2 ALA HA H -3 4.167 4.440 -0.273 1
1 8 . 24 1 1 A 2 2 ALA C C -3 177.254 177.004 0.250 1
1 9 . 24 1 1 A 2 2 ALA CA C -3 52.427 52.152 0.275 1
1 10 . 24 1 1 A 2 2 ALA CB C -3 19.740 19.928 -0.188 1
1 11 . 24 1 1 A 3 3 MET H H -2 8.135 8.669 -0.534 1
1 12 . 24 1 1 A 3 3 MET HA H -2 4.351 4.969 -0.618 1
1 20 . 24 1 1 A 3 3 MET C C -2 176.007 174.690 1.317 1
1 21 . 24 1 1 A 3 3 MET CA C -2 55.444 53.605 1.839 1
1 22 . 24 1 1 A 3 3 MET CB C -2 34.277 36.173 -1.896 1
1 25 . 24 1 1 A 3 3 MET N N -2 125.628 115.169 10.459 1
1 43 . 24 1 1 A 6 6 PRO HA H 250 4.591 4.551 0.040 1
1 50 . 24 1 1 A 6 6 PRO C C 250 175.444 175.686 -0.242 1
1 51 . 24 1 1 A 6 6 PRO CA C 250 61.829 62.394 -0.565 1
1 52 . 24 1 1 A 6 6 PRO CB C 250 32.464 32.835 -0.371 1
1 55 . 24 1 1 A 7 7 ARG H H 251 7.588 8.759 -1.171 1
1 56 . 24 1 1 A 7 7 ARG HA H 251 4.078 4.774 -0.696 1
1 64 . 24 1 1 A 7 7 ARG C C 251 175.065 174.472 0.593 1
1 65 . 24 1 1 A 7 7 ARG CA C 251 54.552 54.485 0.067 1
1 66 . 24 1 1 A 7 7 ARG CB C 251 33.587 33.623 -0.036 1
1 69 . 24 1 1 A 7 7 ARG N N 251 124.900 120.562 4.338 1
1 71 . 24 1 1 A 8 8 PHE H H 252 8.893 9.008 -0.115 1
1 72 . 24 1 1 A 8 8 PHE HA H 252 4.708 5.104 -0.396 1
1 80 . 24 1 1 A 8 8 PHE CA C 252 59.744 56.608 3.136 1
1 81 . 24 1 1 A 8 8 PHE CB C 252 39.263 38.730 0.533 1
1 85 . 24 1 1 A 8 8 PHE N N 252 128.828 119.566 9.262 1
1 86 . 24 1 1 A 9 9 ILE H H 253 8.223 9.240 -1.017 1
1 87 . 24 1 1 A 9 9 ILE HA H 253 4.090 4.812 -0.722 1
1 97 . 24 1 1 A 9 9 ILE C C 253 175.698 175.233 0.465 1
1 98 . 24 1 1 A 9 9 ILE CA C 253 61.230 59.892 1.338 1
1 99 . 24 1 1 A 9 9 ILE CB C 253 39.165 40.189 -1.024 1
1 103 . 24 1 1 A 9 9 ILE N N 253 128.239 124.510 3.729 1
1 104 . 24 1 1 A 10 10 GLN H H 254 7.437 8.345 -0.908 1
1 105 . 24 1 1 A 10 10 GLN HA H 254 4.450 4.296 0.154 1
1 112 . 24 1 1 A 10 10 GLN C C 254 174.149 175.655 -1.506 1
1 113 . 24 1 1 A 10 10 GLN CA C 254 56.197 57.070 -0.873 1
1 114 . 24 1 1 A 10 10 GLN CB C 254 32.367 29.259 3.108 1
1 116 . 24 1 1 A 10 10 GLN N N 254 127.323 123.019 4.304 1
1 118 . 24 1 1 A 11 11 VAL H H 255 8.283 8.710 -0.427 1
1 119 . 24 1 1 A 11 11 VAL HA H 255 4.185 4.469 -0.284 1
1 127 . 24 1 1 A 11 11 VAL CA C 255 57.931 58.160 -0.229 1
1 128 . 24 1 1 A 11 11 VAL CB C 255 33.230 33.532 -0.302 1
1 131 . 24 1 1 A 11 11 VAL N N 255 126.734 120.810 5.924 1
1 132 . 24 1 1 A 12 12 PRO HA H 256 4.538 4.416 0.122 1
1 139 . 24 1 1 A 12 12 PRO CA C 256 62.209 62.257 -0.048 1
1 140 . 24 1 1 A 12 12 PRO CB C 256 31.724 32.094 -0.370 1
1 143 . 24 1 1 A 13 13 GLU H H 257 7.870 8.487 -0.617 1
1 144 . 24 1 1 A 13 13 GLU HA H 257 4.257 4.416 -0.159 1
1 149 . 24 1 1 A 13 13 GLU CA C 257 54.764 56.322 -1.558 1
1 150 . 24 1 1 A 13 13 GLU CB C 257 31.690 30.662 1.028 1
1 152 . 24 1 1 A 13 13 GLU N N 257 124.369 120.692 3.677 1
1 153 . 24 1 1 A 14 14 ASN H H 258 8.133 8.619 -0.486 1
1 154 . 24 1 1 A 14 14 ASN HA H 258 4.639 4.764 -0.125 1
1 159 . 24 1 1 A 14 14 ASN CA C 258 54.285 53.489 0.796 1
1 160 . 24 1 1 A 14 14 ASN CB C 258 38.023 38.790 -0.767 1
1 161 . 24 1 1 A 14 14 ASN N N 258 123.151 120.411 2.740 1
1 163 . 24 1 1 A 15 15 MET H H 259 8.295 8.996 -0.701 1
1 164 . 24 1 1 A 15 15 MET HA H 259 4.695 5.304 -0.609 1
1 172 . 24 1 1 A 15 15 MET C C 259 174.675 174.225 0.450 1
1 173 . 24 1 1 A 15 15 MET CA C 259 55.153 53.889 1.264 1
1 174 . 24 1 1 A 15 15 MET CB C 259 38.064 37.334 0.730 1
1 177 . 24 1 1 A 15 15 MET N N 259 125.442 120.214 5.228 1
1 178 . 24 1 1 A 16 16 SER H H 260 8.332 8.772 -0.440 1
1 179 . 24 1 1 A 16 16 SER HA H 260 5.261 5.554 -0.293 1
1 182 . 24 1 1 A 16 16 SER C C 260 172.889 173.566 -0.677 1
1 183 . 24 1 1 A 16 16 SER CA C 260 56.748 56.849 -0.101 1
1 184 . 24 1 1 A 16 16 SER CB C 260 64.170 65.858 -1.688 1
1 185 . 24 1 1 A 16 16 SER N N 260 125.417 113.365 12.052 1
1 186 . 24 1 1 A 17 17 ILE H H 261 8.394 8.547 -0.153 1
1 187 . 24 1 1 A 17 17 ILE HA H 261 4.366 4.586 -0.220 1
1 197 . 24 1 1 A 17 17 ILE C C 261 173.465 174.828 -1.363 1
1 198 . 24 1 1 A 17 17 ILE CA C 261 57.461 60.168 -2.707 1
1 199 . 24 1 1 A 17 17 ILE CB C 261 41.882 41.894 -0.012 1
1 203 . 24 1 1 A 17 17 ILE N N 261 131.680 124.990 6.690 1
1 204 . 24 1 1 A 18 18 ASP H H 262 8.043 8.719 -0.676 1
1 205 . 24 1 1 A 18 18 ASP HA H 262 4.498 4.613 -0.115 1
1 208 . 24 1 1 A 18 18 ASP C C 262 174.970 175.875 -0.905 1
1 209 . 24 1 1 A 18 18 ASP CA C 262 54.962 54.712 0.250 1
1 210 . 24 1 1 A 18 18 ASP CB C 262 41.518 40.783 0.735 1
1 211 . 24 1 1 A 18 18 ASP N N 262 132.455 127.507 4.948 1
1 212 . 24 1 1 A 19 19 GLU H H 263 8.058 8.822 -0.764 1
1 213 . 24 1 1 A 19 19 GLU HA H 263 3.322 3.889 -0.567 1
1 218 . 24 1 1 A 19 19 GLU C C 263 176.656 177.313 -0.657 1
1 219 . 24 1 1 A 19 19 GLU CA C 263 58.351 58.296 0.055 1
1 220 . 24 1 1 A 19 19 GLU CB C 263 29.716 29.318 0.398 1
1 222 . 24 1 1 A 19 19 GLU N N 263 126.424 124.771 1.653 1
1 223 . 24 1 1 A 20 20 GLY H H 264 9.131 9.109 0.022 1
1 224 . 24 1 1 A 20 20 GLY HA2 H 264 3.366 3.986 -0.620 1
1 225 . 24 1 1 A 20 20 GLY HA3 H 264 4.196 3.988 0.208 1
1 226 . 24 1 1 A 20 20 GLY C C 264 174.582 174.561 0.021 1
1 227 . 24 1 1 A 20 20 GLY CA C 264 44.837 45.024 -0.187 1
1 228 . 24 1 1 A 20 20 GLY N N 264 119.124 115.005 4.119 1
1 229 . 24 1 1 A 21 21 ARG H H 265 7.192 7.345 -0.153 1
1 230 . 24 1 1 A 21 21 ARG HA H 265 4.377 4.408 -0.031 1
1 238 . 24 1 1 A 21 21 ARG C C 265 174.091 175.876 -1.785 1
1 239 . 24 1 1 A 21 21 ARG CA C 265 55.263 55.914 -0.651 1
1 240 . 24 1 1 A 21 21 ARG CB C 265 31.467 31.710 -0.243 1
1 243 . 24 1 1 A 21 21 ARG N N 265 126.182 120.381 5.801 1
1 245 . 24 1 1 A 22 22 PHE H H 266 7.699 8.819 -1.120 1
1 246 . 24 1 1 A 22 22 PHE HA H 266 4.688 4.960 -0.272 1
1 254 . 24 1 1 A 22 22 PHE C C 266 175.911 174.989 0.922 1
1 255 . 24 1 1 A 22 22 PHE CA C 266 57.132 59.319 -2.187 1
1 256 . 24 1 1 A 22 22 PHE CB C 266 41.270 40.049 1.221 1
1 260 . 24 1 1 A 22 22 PHE N N 266 127.111 122.462 4.649 1
1 261 . 24 1 1 A 23 23 CYS H H 267 8.140 8.443 -0.303 1
1 262 . 24 1 1 A 23 23 CYS HA H 267 4.282 5.074 -0.792 1
1 265 . 24 1 1 A 23 23 CYS C C 267 170.233 172.655 -2.422 1
1 266 . 24 1 1 A 23 23 CYS CA C 267 57.626 57.868 -0.242 1
1 267 . 24 1 1 A 23 23 CYS CB C 267 30.411 32.419 -2.008 1
1 268 . 24 1 1 A 23 23 CYS N N 267 130.194 126.160 4.034 1
1 269 . 24 1 1 A 24 24 ARG H H 268 8.160 8.948 -0.788 1
1 270 . 24 1 1 A 24 24 ARG HA H 268 5.167 5.250 -0.083 1
1 278 . 24 1 1 A 24 24 ARG CA C 268 53.910 54.133 -0.223 1
1 279 . 24 1 1 A 24 24 ARG CB C 268 35.114 34.176 0.938 1
1 283 . 24 1 1 A 25 25 MET H H 269 8.839 8.919 -0.080 1
1 284 . 24 1 1 A 25 25 MET HA H 269 4.518 5.290 -0.772 1
1 292 . 24 1 1 A 25 25 MET C C 269 174.090 174.420 -0.330 1
1 293 . 24 1 1 A 25 25 MET CA C 269 54.960 54.126 0.834 1
1 294 . 24 1 1 A 25 25 MET CB C 269 35.645 37.391 -1.746 1
1 297 . 24 1 1 A 25 25 MET N N 269 127.757 119.503 8.254 1
1 298 . 24 1 1 A 26 26 ASP H H 270 8.473 8.645 -0.172 1
1 299 . 24 1 1 A 26 26 ASP HA H 270 5.772 5.520 0.252 1
1 302 . 24 1 1 A 26 26 ASP CA C 270 53.157 53.048 0.109 1
1 303 . 24 1 1 A 26 26 ASP CB C 270 43.595 45.104 -1.509 1
1 304 . 24 1 1 A 26 26 ASP N N 270 129.880 120.934 8.946 1
1 305 . 24 1 1 A 27 27 PHE H H 271 9.180 9.315 -0.135 1
1 306 . 24 1 1 A 27 27 PHE HA H 271 5.014 4.962 0.052 1
1 314 . 24 1 1 A 27 27 PHE CA C 271 55.904 56.335 -0.431 1
1 317 . 24 1 1 A 27 27 PHE N N 271 123.116 120.880 2.236 1
1 318 . 24 1 1 A 28 28 LYS H H 272 9.221 8.445 0.776 1
1 327 . 24 1 1 A 28 28 LYS CA C 272 59.294 56.620 2.674 1
1 328 . 24 1 1 A 28 28 LYS CB C 272 38.090 32.856 5.234 1
1 332 . 24 1 1 A 28 28 LYS N N 272 131.321 124.894 6.427 1
1 333 . 24 1 1 A 29 29 VAL H H 273 8.304 8.656 -0.352 1
1 334 . 24 1 1 A 29 29 VAL HA H 273 4.331 5.000 -0.669 1
1 342 . 24 1 1 A 29 29 VAL C C 273 175.240 173.630 1.610 1
1 343 . 24 1 1 A 29 29 VAL CA C 273 61.020 59.323 1.697 1
1 344 . 24 1 1 A 29 29 VAL CB C 273 33.889 35.770 -1.881 1
1 347 . 24 1 1 A 30 30 SER H H 274 8.545 8.897 -0.352 1
1 348 . 24 1 1 A 30 30 SER HA H 274 4.647 4.809 -0.162 1
1 351 . 24 1 1 A 30 30 SER C C 274 172.993 173.099 -0.106 1
1 352 . 24 1 1 A 30 30 SER CA C 274 56.505 56.470 0.035 1
1 353 . 24 1 1 A 30 30 SER CB C 274 65.805 65.088 0.717 1
1 354 . 24 1 1 A 30 30 SER N N 274 129.796 121.839 7.957 1
1 355 . 24 1 1 A 31 31 GLY H H 275 7.712 8.578 -0.866 1
1 356 . 24 1 1 A 31 31 GLY HA2 H 275 3.220 4.137 -0.917 1
1 357 . 24 1 1 A 31 31 GLY HA3 H 275 3.649 4.143 -0.494 1
1 358 . 24 1 1 A 31 31 GLY C C 275 170.984 172.003 -1.019 1
1 359 . 24 1 1 A 31 31 GLY CA C 275 45.099 44.155 0.944 1
1 360 . 24 1 1 A 31 31 GLY N N 275 115.009 111.126 3.883 1
1 361 . 24 1 1 A 32 32 LEU H H 276 7.668 8.387 -0.719 1
1 362 . 24 1 1 A 32 32 LEU HA H 276 4.301 4.917 -0.616 1
1 372 . 24 1 1 A 32 32 LEU C C 276 173.812 174.510 -0.698 1
1 373 . 24 1 1 A 32 32 LEU CA C 276 52.370 51.554 0.816 1
1 374 . 24 1 1 A 32 32 LEU CB C 276 45.554 45.939 -0.385 1
1 378 . 24 1 1 A 32 32 LEU N N 276 129.727 121.213 8.514 1
1 379 . 24 1 1 A 33 33 PRO HA H 277 4.416 4.645 -0.229 1
1 386 . 24 1 1 A 33 33 PRO CA C 277 62.576 62.372 0.204 1
1 387 . 24 1 1 A 33 33 PRO CB C 277 35.012 32.603 2.409 1
1 390 . 24 1 1 A 34 34 ALA H H 278 8.598 8.325 0.273 1
1 391 . 24 1 1 A 34 34 ALA HA H 278 4.153 4.324 -0.171 1
1 395 . 24 1 1 A 34 34 ALA CA C 278 50.822 50.706 0.116 1
1 396 . 24 1 1 A 34 34 ALA CB C 278 17.462 18.979 -1.517 1
1 397 . 24 1 1 A 34 34 ALA N N 278 131.518 124.451 7.067 1
1 398 . 24 1 1 A 35 35 PRO HA H 279 4.206 4.589 -0.383 1
1 405 . 24 1 1 A 35 35 PRO C C 279 175.701 176.129 -0.428 1
1 406 . 24 1 1 A 35 35 PRO CA C 279 62.628 62.407 0.221 1
1 407 . 24 1 1 A 35 35 PRO CB C 279 33.069 32.122 0.947 1
1 410 . 24 1 1 A 36 36 ASP H H 280 8.621 8.541 0.080 1
1 411 . 24 1 1 A 36 36 ASP HA H 280 4.659 4.793 -0.134 1
1 414 . 24 1 1 A 36 36 ASP C C 280 176.057 175.737 0.320 1
1 415 . 24 1 1 A 36 36 ASP CA C 280 54.307 54.675 -0.368 1
1 416 . 24 1 1 A 36 36 ASP CB C 280 42.741 41.638 1.103 1
1 417 . 24 1 1 A 36 36 ASP N N 280 127.555 121.247 6.308 1
1 418 . 24 1 1 A 37 37 VAL H H 281 8.635 8.286 0.349 1
1 419 . 24 1 1 A 37 37 VAL HA H 281 4.938 4.851 0.087 1
1 427 . 24 1 1 A 37 37 VAL CA C 281 61.135 60.934 0.201 1
1 428 . 24 1 1 A 37 37 VAL CB C 281 34.579 34.524 0.055 1
1 431 . 24 1 1 A 38 38 SER H H 282 8.591 8.501 0.090 1
1 432 . 24 1 1 A 38 38 SER HA H 282 4.518 5.406 -0.888 1
1 435 . 24 1 1 A 38 38 SER CA C 282 57.540 57.011 0.529 1
1 436 . 24 1 1 A 38 38 SER CB C 282 66.530 66.037 0.493 1
1 437 . 24 1 1 A 38 38 SER N N 282 128.264 121.853 6.411 1
1 438 . 24 1 1 A 39 39 TRP H H 283 8.426 8.518 -0.092 1
1 439 . 24 1 1 A 39 39 TRP HA H 283 5.297 5.528 -0.231 1
1 448 . 24 1 1 A 39 39 TRP CA C 283 56.298 55.815 0.483 1
1 449 . 24 1 1 A 39 39 TRP CB C 283 33.153 33.983 -0.830 1
1 455 . 24 1 1 A 39 39 TRP N N 283 127.698 122.629 5.069 1
1 456 . 24 1 1 A 40 40 TYR H H 284 9.373 9.282 0.091 1
1 457 . 24 1 1 A 40 40 TYR HA H 284 4.903 5.402 -0.499 1
1 464 . 24 1 1 A 40 40 TYR C C 284 174.148 174.635 -0.487 1
1 465 . 24 1 1 A 40 40 TYR CA C 284 56.849 56.295 0.554 1
1 466 . 24 1 1 A 40 40 TYR CB C 284 42.754 43.270 -0.516 1
1 469 . 24 1 1 A 40 40 TYR N N 284 125.437 119.538 5.899 1
1 470 . 24 1 1 A 41 41 LEU H H 285 8.898 9.165 -0.267 1
1 471 . 24 1 1 A 41 41 LEU HA H 285 4.255 4.604 -0.349 1
1 481 . 24 1 1 A 41 41 LEU C C 285 176.606 175.503 1.103 1
1 482 . 24 1 1 A 41 41 LEU CA C 285 53.659 53.949 -0.290 1
1 483 . 24 1 1 A 41 41 LEU CB C 285 43.740 44.718 -0.978 1
1 487 . 24 1 1 A 41 41 LEU N N 285 129.512 122.632 6.880 1
1 488 . 24 1 1 A 42 42 ASN H H 286 9.454 9.461 -0.007 1
1 489 . 24 1 1 A 42 42 ASN HA H 286 4.221 4.420 -0.199 1
1 494 . 24 1 1 A 42 42 ASN C C 286 175.692 175.287 0.405 1
1 495 . 24 1 1 A 42 42 ASN CA C 286 54.239 54.374 -0.135 1
1 496 . 24 1 1 A 42 42 ASN CB C 286 37.331 36.962 0.369 1
1 497 . 24 1 1 A 42 42 ASN N N 286 134.097 126.395 7.702 1
1 499 . 24 1 1 A 43 43 GLY H H 287 8.709 8.341 0.368 1
1 500 . 24 1 1 A 43 43 GLY HA2 H 287 3.356 3.989 -0.633 1
1 501 . 24 1 1 A 43 43 GLY HA3 H 287 3.995 3.996 -0.001 1
1 502 . 24 1 1 A 43 43 GLY C C 287 173.786 174.714 -0.928 1
1 503 . 24 1 1 A 43 43 GLY CA C 287 45.450 45.104 0.346 1
1 504 . 24 1 1 A 43 43 GLY N N 287 108.807 104.999 3.808 1
1 505 . 24 1 1 A 44 44 ARG H H 288 7.902 7.572 0.330 1
1 506 . 24 1 1 A 44 44 ARG HA H 288 4.697 4.605 0.092 1
1 514 . 24 1 1 A 44 44 ARG C C 288 175.799 176.439 -0.640 1
1 515 . 24 1 1 A 44 44 ARG CA C 288 54.658 55.248 -0.590 1
1 516 . 24 1 1 A 44 44 ARG CB C 288 32.436 31.538 0.898 1
1 519 . 24 1 1 A 44 44 ARG N N 288 127.837 120.343 7.494 1
1 521 . 24 1 1 A 45 45 THR H H 289 8.539 8.635 -0.096 1
1 522 . 24 1 1 A 45 45 THR HA H 289 3.763 4.284 -0.521 1
1 527 . 24 1 1 A 45 45 THR C C 289 174.692 174.417 0.275 1
1 528 . 24 1 1 A 45 45 THR CA C 289 63.977 61.886 2.091 1
1 529 . 24 1 1 A 45 45 THR CB C 289 69.706 69.895 -0.189 1
1 531 . 24 1 1 A 45 45 THR N N 289 126.100 113.729 12.371 1
1 532 . 24 1 1 A 46 46 VAL H H 290 8.033 8.354 -0.321 1
1 533 . 24 1 1 A 46 46 VAL HA H 290 3.647 4.498 -0.851 1
1 541 . 24 1 1 A 46 46 VAL C C 290 174.672 175.433 -0.761 1
1 542 . 24 1 1 A 46 46 VAL CA C 290 62.458 61.453 1.005 1
1 543 . 24 1 1 A 46 46 VAL CB C 290 32.500 34.247 -1.747 1
1 546 . 24 1 1 A 46 46 VAL N N 290 134.795 121.646 13.149 1
1 547 . 24 1 1 A 47 47 GLN H H 291 8.124 8.593 -0.469 1
1 548 . 24 1 1 A 47 47 GLN HA H 291 4.281 4.329 -0.048 1
1 555 . 24 1 1 A 47 47 GLN C C 291 175.398 175.485 -0.087 1
1 556 . 24 1 1 A 47 47 GLN CA C 291 54.235 55.911 -1.676 1
1 557 . 24 1 1 A 47 47 GLN CB C 291 30.283 29.618 0.665 1
1 559 . 24 1 1 A 47 47 GLN N N 291 132.792 127.041 5.751 1
1 561 . 24 1 1 A 48 48 SER H H 292 8.280 8.554 -0.274 1
1 562 . 24 1 1 A 48 48 SER HA H 292 4.308 4.405 -0.097 1
1 565 . 24 1 1 A 48 48 SER C C 292 174.304 173.534 0.770 1
1 566 . 24 1 1 A 48 48 SER CA C 292 58.222 58.356 -0.134 1
1 567 . 24 1 1 A 48 48 SER CB C 292 63.719 64.230 -0.511 1
1 568 . 24 1 1 A 48 48 SER N N 292 123.481 116.279 7.202 1
1 569 . 24 1 1 A 49 49 ASP H H 293 9.050 8.644 0.406 1
1 570 . 24 1 1 A 49 49 ASP HA H 293 4.482 5.059 -0.577 1
1 573 . 24 1 1 A 49 49 ASP C C 293 176.099 175.625 0.474 1
1 574 . 24 1 1 A 49 49 ASP CA C 293 53.668 53.010 0.658 1
1 575 . 24 1 1 A 49 49 ASP CB C 293 40.100 44.297 -4.197 1
1 576 . 24 1 1 A 49 49 ASP N N 293 131.157 121.737 9.420 1
1 577 . 24 1 1 A 50 50 ASP H H 294 8.324 8.900 -0.576 1
1 578 . 24 1 1 A 50 50 ASP HA H 294 4.167 4.242 -0.075 1
1 581 . 24 1 1 A 50 50 ASP C C 294 176.520 177.587 -1.067 1
1 582 . 24 1 1 A 50 50 ASP CA C 294 57.367 57.622 -0.255 1
1 583 . 24 1 1 A 50 50 ASP CB C 294 40.226 40.535 -0.309 1
1 584 . 24 1 1 A 50 50 ASP N N 294 122.206 124.805 -2.599 1
1 585 . 24 1 1 A 51 51 LEU H H 295 7.749 7.735 0.014 1
1 586 . 24 1 1 A 51 51 LEU HA H 295 4.281 4.122 0.159 1
1 596 . 24 1 1 A 51 51 LEU C C 295 175.716 176.520 -0.804 1
1 597 . 24 1 1 A 51 51 LEU CA C 295 54.407 55.600 -1.193 1
1 598 . 24 1 1 A 51 51 LEU CB C 295 43.849 42.222 1.627 1
1 602 . 24 1 1 A 51 51 LEU N N 295 121.836 117.918 3.918 1
1 603 . 24 1 1 A 52 52 HIS H H 296 7.548 7.531 0.017 1
1 604 . 24 1 1 A 52 52 HIS HA H 296 5.091 4.822 0.269 1
1 609 . 24 1 1 A 52 52 HIS C C 296 172.683 173.901 -1.218 1
1 610 . 24 1 1 A 52 52 HIS CA C 296 54.900 53.795 1.105 1
1 611 . 24 1 1 A 52 52 HIS CB C 296 28.894 29.268 -0.374 1
1 614 . 24 1 1 A 52 52 HIS N N 296 126.326 115.946 10.380 1
1 615 . 24 1 1 A 53 53 LYS H H 297 8.515 8.513 0.002 1
1 616 . 24 1 1 A 53 53 LYS HA H 297 4.608 4.239 0.369 1
1 625 . 24 1 1 A 53 53 LYS C C 297 174.797 175.794 -0.997 1
1 626 . 24 1 1 A 53 53 LYS CA C 297 54.303 56.845 -2.542 1
1 627 . 24 1 1 A 53 53 LYS CB C 297 35.705 33.186 2.519 1
1 631 . 24 1 1 A 53 53 LYS N N 297 127.067 122.627 4.440 1
1 632 . 24 1 1 A 54 54 MET H H 298 8.379 8.857 -0.478 1
1 633 . 24 1 1 A 54 54 MET HA H 298 5.091 5.168 -0.077 1
1 641 . 24 1 1 A 54 54 MET CA C 298 55.427 54.632 0.795 1
1 642 . 24 1 1 A 54 54 MET CB C 298 34.100 35.177 -1.077 1
1 645 . 24 1 1 A 54 54 MET N N 298 128.992 121.124 7.868 1
1 646 . 24 1 1 A 55 55 ILE H H 299 8.279 8.834 -0.555 1
1 647 . 24 1 1 A 55 55 ILE HA H 299 4.602 5.267 -0.665 1
1 657 . 24 1 1 A 55 55 ILE CA C 299 59.130 59.131 -0.001 1
1 658 . 24 1 1 A 55 55 ILE CB C 299 42.747 42.312 0.435 1
1 662 . 24 1 1 A 56 56 VAL H H 300 9.227 8.681 0.546 1
1 663 . 24 1 1 A 56 56 VAL HA H 300 4.912 4.747 0.165 1
1 671 . 24 1 1 A 56 56 VAL CA C 300 59.226 61.480 -2.254 1
1 672 . 24 1 1 A 56 56 VAL CB C 300 36.406 34.590 1.816 1
1 675 . 24 1 1 A 57 57 SER H H 301 8.794 9.022 -0.228 1
1 676 . 24 1 1 A 57 57 SER HA H 301 4.575 4.480 0.095 1
1 679 . 24 1 1 A 57 57 SER CA C 301 56.558 59.154 -2.596 1
1 680 . 24 1 1 A 57 57 SER CB C 301 65.617 63.591 2.026 1
1 681 . 24 1 1 A 57 57 SER N N 301 128.893 123.707 5.186 1
1 682 . 24 1 1 A 58 58 GLU HA H 302 4.013 4.058 -0.045 1
1 687 . 24 1 1 A 58 58 GLU CA C 302 58.165 58.808 -0.643 1
1 688 . 24 1 1 A 58 58 GLU CB C 302 29.508 29.210 0.298 1
1 690 . 24 1 1 A 59 59 LYS HA H 303 4.114 4.306 -0.192 1
1 699 . 24 1 1 A 59 59 LYS C C 303 176.755 176.786 -0.031 1
1 700 . 24 1 1 A 59 59 LYS CA C 303 55.913 55.734 0.179 1
1 701 . 24 1 1 A 59 59 LYS CB C 303 31.679 32.683 -1.004 1
1 705 . 24 1 1 A 60 60 GLY H H 304 7.813 8.418 -0.605 1
1 706 . 24 1 1 A 60 60 GLY HA2 H 304 4.037 3.970 0.067 1
1 707 . 24 1 1 A 60 60 GLY HA3 H 304 3.411 3.972 -0.561 1
1 708 . 24 1 1 A 60 60 GLY C C 304 173.480 173.992 -0.512 1
1 709 . 24 1 1 A 60 60 GLY CA C 304 45.955 46.496 -0.541 1
1 710 . 24 1 1 A 60 60 GLY N N 304 113.597 107.931 5.666 1
1 711 . 24 1 1 A 61 61 LEU H H 305 7.253 7.354 -0.101 1
1 712 . 24 1 1 A 61 61 LEU HA H 305 4.396 4.982 -0.586 1
1 722 . 24 1 1 A 61 61 LEU CA C 305 54.825 54.050 0.775 1
1 723 . 24 1 1 A 61 61 LEU CB C 305 43.099 44.708 -1.609 1
1 727 . 24 1 1 A 61 61 LEU N N 305 128.081 120.800 7.281 1
1 728 . 24 1 1 A 62 62 HIS H H 306 8.294 9.229 -0.935 1
1 733 . 24 1 1 A 62 62 HIS N N 306 130.344 127.662 2.682 1
1 734 . 24 1 1 A 63 63 SER HA H 307 5.980 5.340 0.640 1
1 737 . 24 1 1 A 63 63 SER CA C 307 57.517 57.569 -0.052 1
1 738 . 24 1 1 A 63 63 SER CB C 307 66.760 65.035 1.725 1
1 739 . 24 1 1 A 64 64 LEU H H 308 8.827 8.726 0.101 1
1 740 . 24 1 1 A 64 64 LEU HA H 308 4.657 4.559 0.098 1
1 750 . 24 1 1 A 64 64 LEU C C 308 174.337 174.740 -0.403 1
1 751 . 24 1 1 A 64 64 LEU CA C 308 54.386 53.712 0.674 1
1 752 . 24 1 1 A 64 64 LEU CB C 308 42.678 44.830 -2.152 1
1 756 . 24 1 1 A 65 65 ILE H H 309 9.009 8.894 0.115 1
1 757 . 24 1 1 A 65 65 ILE HA H 309 3.880 4.702 -0.822 1
1 767 . 24 1 1 A 65 65 ILE C C 309 173.963 174.893 -0.930 1
1 768 . 24 1 1 A 65 65 ILE CA C 309 60.296 60.018 0.278 1
1 769 . 24 1 1 A 65 65 ILE CB C 309 40.727 40.758 -0.031 1
1 773 . 24 1 1 A 65 65 ILE N N 309 133.046 127.601 5.445 1
1 774 . 24 1 1 A 66 66 PHE H H 310 8.508 8.706 -0.198 1
1 775 . 24 1 1 A 66 66 PHE HA H 310 4.367 4.903 -0.536 1
1 783 . 24 1 1 A 66 66 PHE C C 310 174.555 175.663 -1.108 1
1 784 . 24 1 1 A 66 66 PHE CA C 310 54.878 55.935 -1.057 1
1 785 . 24 1 1 A 66 66 PHE CB C 310 38.819 40.206 -1.387 1
1 789 . 24 1 1 A 66 66 PHE N N 310 132.294 124.457 7.837 1
1 790 . 24 1 1 A 67 67 GLU H H 311 7.879 8.832 -0.953 1
1 791 . 24 1 1 A 67 67 GLU HA H 311 4.025 4.416 -0.391 1
1 796 . 24 1 1 A 67 67 GLU C C 311 177.819 177.207 0.612 1
1 797 . 24 1 1 A 67 67 GLU CA C 311 59.266 59.186 0.080 1
1 798 . 24 1 1 A 67 67 GLU CB C 311 30.421 30.554 -0.133 1
1 800 . 24 1 1 A 67 67 GLU N N 311 127.092 124.067 3.025 1
1 801 . 24 1 1 A 68 68 VAL H H 312 7.428 7.610 -0.182 1
1 802 . 24 1 1 A 68 68 VAL HA H 312 3.402 4.466 -1.064 1
1 810 . 24 1 1 A 68 68 VAL C C 312 173.921 174.212 -0.291 1
1 811 . 24 1 1 A 68 68 VAL CA C 312 61.444 61.137 0.307 1
1 812 . 24 1 1 A 68 68 VAL CB C 312 34.790 32.791 1.999 1
1 815 . 24 1 1 A 68 68 VAL N N 312 120.315 116.698 3.617 1
1 816 . 24 1 1 A 69 69 VAL H H 313 8.233 8.573 -0.340 1
1 817 . 24 1 1 A 69 69 VAL HA H 313 3.829 4.228 -0.399 1
1 825 . 24 1 1 A 69 69 VAL C C 313 175.123 174.828 0.295 1
1 826 . 24 1 1 A 69 69 VAL CA C 313 63.200 62.759 0.441 1
1 827 . 24 1 1 A 69 69 VAL CB C 313 32.836 32.566 0.270 1
1 830 . 24 1 1 A 69 69 VAL N N 313 132.928 128.819 4.109 1
1 831 . 24 1 1 A 70 70 ARG H H 314 9.259 9.127 0.132 1
1 832 . 24 1 1 A 70 70 ARG HA H 314 4.776 4.645 0.131 1
1 839 . 24 1 1 A 70 70 ARG C C 314 177.491 176.924 0.567 1
1 840 . 24 1 1 A 70 70 ARG CA C 314 53.728 54.172 -0.444 1
1 841 . 24 1 1 A 70 70 ARG CB C 314 34.282 32.795 1.487 1
1 844 . 24 1 1 A 70 70 ARG N N 314 133.209 127.633 5.576 1
1 845 . 24 1 1 A 71 71 ALA H H 315 9.059 8.552 0.507 1
1 846 . 24 1 1 A 71 71 ALA HA H 315 3.676 4.013 -0.337 1
1 850 . 24 1 1 A 71 71 ALA C C 315 180.122 179.638 0.484 1
1 851 . 24 1 1 A 71 71 ALA CA C 315 56.356 55.154 1.202 1
1 852 . 24 1 1 A 71 71 ALA CB C 315 17.923 18.424 -0.501 1
1 853 . 24 1 1 A 71 71 ALA N N 315 131.839 124.500 7.339 1
1 854 . 24 1 1 A 72 72 SER H H 316 7.735 7.982 -0.247 1
1 855 . 24 1 1 A 72 72 SER HA H 316 4.046 4.240 -0.194 1
1 858 . 24 1 1 A 72 72 SER C C 316 175.495 174.594 0.901 1
1 859 . 24 1 1 A 72 72 SER CA C 316 60.037 61.269 -1.232 1
1 860 . 24 1 1 A 72 72 SER CB C 316 62.381 63.123 -0.742 1
1 861 . 24 1 1 A 72 72 SER N N 316 115.841 113.516 2.325 1
1 862 . 24 1 1 A 73 73 ASP H H 317 8.175 7.926 0.249 1
1 863 . 24 1 1 A 73 73 ASP HA H 317 4.644 4.721 -0.077 1
1 866 . 24 1 1 A 73 73 ASP C C 317 176.176 176.200 -0.024 1
1 867 . 24 1 1 A 73 73 ASP CA C 317 55.305 54.821 0.484 1
1 868 . 24 1 1 A 73 73 ASP CB C 317 42.572 41.325 1.247 1
1 869 . 24 1 1 A 73 73 ASP N N 317 126.327 119.152 7.175 1
1 870 . 24 1 1 A 74 74 ALA H H 318 7.339 6.962 0.377 1
1 871 . 24 1 1 A 74 74 ALA HA H 318 4.013 4.229 -0.216 1
1 875 . 24 1 1 A 74 74 ALA C C 318 176.813 177.210 -0.397 1
1 876 . 24 1 1 A 74 74 ALA CA C 318 53.570 53.039 0.531 1
1 877 . 24 1 1 A 74 74 ALA CB C 318 20.548 20.482 0.066 1
1 878 . 24 1 1 A 74 74 ALA N N 318 127.859 122.120 5.739 1
1 879 . 24 1 1 A 75 75 GLY H H 319 8.797 8.839 -0.042 1
1 880 . 24 1 1 A 75 75 GLY HA2 H 319 3.599 4.079 -0.480 1
1 881 . 24 1 1 A 75 75 GLY HA3 H 319 4.239 4.136 0.103 1
1 882 . 24 1 1 A 75 75 GLY C C 319 170.102 172.256 -2.154 1
1 883 . 24 1 1 A 75 75 GLY CA C 319 45.105 44.174 0.931 1
1 884 . 24 1 1 A 75 75 GLY N N 319 114.261 107.180 7.081 1
1 885 . 24 1 1 A 76 76 ALA H H 320 7.621 8.036 -0.415 1
1 886 . 24 1 1 A 76 76 ALA HA H 320 4.521 4.716 -0.195 1
1 890 . 24 1 1 A 76 76 ALA C C 320 176.291 176.486 -0.195 1
1 891 . 24 1 1 A 76 76 ALA CA C 320 51.158 51.551 -0.393 1
1 892 . 24 1 1 A 76 76 ALA CB C 320 19.242 19.399 -0.157 1
1 893 . 24 1 1 A 76 76 ALA N N 320 129.042 122.873 6.169 1
1 894 . 24 1 1 A 77 77 TYR H H 321 9.406 8.977 0.429 1
1 895 . 24 1 1 A 77 77 TYR HA H 321 5.237 5.253 -0.016 1
1 903 . 24 1 1 A 77 77 TYR C C 321 175.676 176.095 -0.419 1
1 904 . 24 1 1 A 77 77 TYR CA C 321 57.779 58.073 -0.294 1
1 905 . 24 1 1 A 77 77 TYR CB C 321 40.623 40.097 0.526 1
1 908 . 24 1 1 A 77 77 TYR N N 321 132.635 124.024 8.611 1
1 909 . 24 1 1 A 78 78 ALA H H 322 9.084 9.003 0.081 1
1 910 . 24 1 1 A 78 78 ALA HA H 322 5.031 5.342 -0.311 1
1 914 . 24 1 1 A 78 78 ALA CA C 322 50.120 51.179 -1.059 1
1 915 . 24 1 1 A 78 78 ALA CB C 322 21.653 23.908 -2.255 1
1 916 . 24 1 1 A 78 78 ALA N N 322 130.291 122.316 7.975 1
1 917 . 24 1 1 A 79 79 CYS H H 323 7.932 8.979 -1.047 1
1 918 . 24 1 1 A 79 79 CYS HA H 323 4.037 4.881 -0.844 1
1 919 . 24 1 1 A 79 79 CYS C C 323 173.727 172.812 0.915 1
1 920 . 24 1 1 A 79 79 CYS CA C 323 56.345 56.900 -0.555 1
1 921 . 24 1 1 A 80 80 VAL H H 324 8.671 8.730 -0.059 1
1 922 . 24 1 1 A 80 80 VAL HA H 324 4.596 4.764 -0.168 1
1 930 . 24 1 1 A 80 80 VAL C C 324 174.904 174.290 0.614 1
1 931 . 24 1 1 A 80 80 VAL CA C 324 60.907 60.382 0.525 1
1 932 . 24 1 1 A 80 80 VAL CB C 324 34.334 34.643 -0.309 1
1 934 . 24 1 1 A 80 80 VAL N N 324 135.079 124.802 10.277 1
1 935 . 24 1 1 A 81 81 ALA H H 325 9.107 8.933 0.174 1
1 936 . 24 1 1 A 81 81 ALA HA H 325 5.220 5.385 -0.165 1
1 940 . 24 1 1 A 81 81 ALA C C 325 175.446 176.017 -0.571 1
1 941 . 24 1 1 A 81 81 ALA CA C 325 49.197 50.278 -1.081 1
1 942 . 24 1 1 A 81 81 ALA CB C 325 22.479 21.302 1.177 1
1 943 . 24 1 1 A 81 81 ALA N N 325 136.369 128.723 7.646 1
1 944 . 24 1 1 A 82 82 LYS H H 326 8.734 8.889 -0.155 1
1 945 . 24 1 1 A 82 82 LYS HA H 326 5.021 5.245 -0.224 1
1 954 . 24 1 1 A 82 82 LYS C C 326 175.054 175.208 -0.154 1
1 955 . 24 1 1 A 82 82 LYS CA C 326 55.451 54.682 0.769 1
1 956 . 24 1 1 A 82 82 LYS CB C 326 37.852 36.377 1.475 1
1 960 . 24 1 1 A 82 82 LYS N N 326 128.038 122.754 5.284 1
1 961 . 24 1 1 A 83 83 ASN H H 327 8.949 8.761 0.188 1
1 962 . 24 1 1 A 83 83 ASN HA H 327 4.624 5.131 -0.507 1
1 967 . 24 1 1 A 83 83 ASN C C 327 176.409 175.339 1.070 1
1 968 . 24 1 1 A 83 83 ASN CA C 327 51.838 51.433 0.405 1
1 969 . 24 1 1 A 83 83 ASN CB C 327 40.927 39.596 1.331 1
1 970 . 24 1 1 A 83 83 ASN N N 327 128.769 121.613 7.156 1
1 972 . 24 1 1 A 84 84 ARG H H 328 8.203 9.129 -0.926 1
1 973 . 24 1 1 A 84 84 ARG HA H 328 3.917 4.069 -0.152 1
1 981 . 24 1 1 A 84 84 ARG C C 328 175.820 176.115 -0.295 1
1 982 . 24 1 1 A 84 84 ARG CA C 328 58.250 58.100 0.150 1
1 983 . 24 1 1 A 84 84 ARG CB C 328 29.985 29.635 0.350 1
1 986 . 24 1 1 A 84 84 ARG N N 328 121.021 117.729 3.292 1
1 988 . 24 1 1 A 85 85 ALA H H 329 7.599 8.077 -0.478 1
1 989 . 24 1 1 A 85 85 ALA HA H 329 4.279 4.491 -0.212 1
1 993 . 24 1 1 A 85 85 ALA C C 329 177.261 176.912 0.349 1
1 994 . 24 1 1 A 85 85 ALA CA C 329 51.905 52.057 -0.152 1
1 995 . 24 1 1 A 85 85 ALA CB C 329 19.637 20.723 -1.086 1
1 996 . 24 1 1 A 85 85 ALA N N 329 125.074 121.644 3.430 1
1 997 . 24 1 1 A 86 86 GLY H H 330 7.624 7.183 0.441 1
1 998 . 24 1 1 A 86 86 GLY HA2 H 330 3.806 4.059 -0.253 1
1 999 . 24 1 1 A 86 86 GLY HA3 H 330 4.164 4.061 0.103 1
1 1000 . 24 1 1 A 86 86 GLY C C 330 169.646 170.889 -1.243 1
1 1001 . 24 1 1 A 86 86 GLY CA C 330 46.012 46.026 -0.014 1
1 1002 . 24 1 1 A 86 86 GLY N N 330 112.891 103.192 9.699 1
1 1003 . 24 1 1 A 87 87 GLU H H 331 8.213 8.483 -0.270 1
1 1004 . 24 1 1 A 87 87 GLU HA H 331 5.274 5.252 0.022 1
1 1009 . 24 1 1 A 87 87 GLU C C 331 174.418 174.673 -0.255 1
1 1010 . 24 1 1 A 87 87 GLU CA C 331 54.349 54.989 -0.640 1
1 1011 . 24 1 1 A 87 87 GLU CB C 331 34.615 33.448 1.167 1
1 1013 . 24 1 1 A 87 87 GLU N N 331 123.208 120.116 3.092 1
1 1014 . 24 1 1 A 88 88 ALA H H 332 8.897 8.877 0.020 1
1 1015 . 24 1 1 A 88 88 ALA HA H 332 4.569 4.671 -0.102 1
1 1019 . 24 1 1 A 88 88 ALA C C 332 175.121 174.745 0.376 1
1 1020 . 24 1 1 A 88 88 ALA CA C 332 51.592 50.179 1.413 1
1 1021 . 24 1 1 A 88 88 ALA CB C 332 23.324 23.410 -0.086 1
1 1022 . 24 1 1 A 88 88 ALA N N 332 131.757 126.199 5.558 1
1 1023 . 24 1 1 A 89 89 THR H H 333 8.521 7.671 0.850 1
1 1024 . 24 1 1 A 89 89 THR HA H 333 5.661 4.960 0.701 1
1 1029 . 24 1 1 A 89 89 THR C C 333 173.827 172.949 0.878 1
1 1030 . 24 1 1 A 89 89 THR CA C 333 60.601 60.752 -0.151 1
1 1031 . 24 1 1 A 89 89 THR CB C 333 72.140 72.088 0.052 1
1 1033 . 24 1 1 A 89 89 THR N N 333 121.100 113.234 7.866 1
1 1034 . 24 1 1 A 90 90 PHE H H 334 8.603 8.913 -0.310 1
1 1035 . 24 1 1 A 90 90 PHE HA H 334 4.624 5.387 -0.763 1
1 1043 . 24 1 1 A 90 90 PHE CA C 334 56.618 56.071 0.547 1
1 1044 . 24 1 1 A 90 90 PHE CB C 334 42.489 43.654 -1.165 1
1 1048 . 24 1 1 A 91 91 THR H H 335 8.174 8.931 -0.757 1
1 1049 . 24 1 1 A 91 91 THR HA H 335 5.445 5.266 0.179 1
1 1054 . 24 1 1 A 91 91 THR CA C 335 60.110 61.463 -1.353 1
1 1055 . 24 1 1 A 91 91 THR CB C 335 71.671 72.255 -0.584 1
1 1057 . 24 1 1 A 92 92 VAL H H 336 9.158 8.790 0.368 1
1 1058 . 24 1 1 A 92 92 VAL HA H 336 4.432 4.960 -0.528 1
1 1066 . 24 1 1 A 92 92 VAL C C 336 171.594 173.269 -1.675 1
1 1067 . 24 1 1 A 92 92 VAL CA C 336 60.914 60.123 0.791 1
1 1068 . 24 1 1 A 92 92 VAL CB C 336 35.760 35.829 -0.069 1
1 1071 . 24 1 1 A 92 92 VAL N N 336 130.220 122.350 7.870 1
1 1072 . 24 1 1 A 93 93 GLN H H 337 8.302 8.699 -0.397 1
1 1073 . 24 1 1 A 93 93 GLN HA H 337 4.756 5.410 -0.654 1
1 1080 . 24 1 1 A 93 93 GLN C C 337 174.009 173.376 0.633 1
1 1081 . 24 1 1 A 93 93 GLN CA C 337 54.672 54.284 0.388 1
1 1082 . 24 1 1 A 93 93 GLN CB C 337 30.071 32.388 -2.317 1
1 1084 . 24 1 1 A 93 93 GLN N N 337 133.412 126.405 7.007 1
1 1086 . 24 1 1 A 94 94 LEU H H 338 8.812 9.271 -0.459 1
1 1087 . 24 1 1 A 94 94 LEU HA H 338 4.836 5.112 -0.276 1
1 1097 . 24 1 1 A 94 94 LEU C C 338 175.099 174.230 0.869 1
1 1098 . 24 1 1 A 94 94 LEU CA C 338 53.725 53.742 -0.017 1
1 1099 . 24 1 1 A 94 94 LEU CB C 338 44.955 45.781 -0.826 1
1 1103 . 24 1 1 A 94 94 LEU N N 338 133.816 127.774 6.042 1
1 1104 . 24 1 1 A 95 95 ASP H H 339 8.747 9.249 -0.502 1
1 1105 . 24 1 1 A 95 95 ASP HA H 339 4.871 5.016 -0.145 1
1 1108 . 24 1 1 A 95 95 ASP C C 339 174.295 174.717 -0.422 1
1 1109 . 24 1 1 A 95 95 ASP CA C 339 53.311 52.753 0.558 1
1 1110 . 24 1 1 A 95 95 ASP CB C 339 42.895 41.257 1.638 1
1 1111 . 24 1 1 A 95 95 ASP N N 339 134.770 128.537 6.233 1
1 1112 . 24 1 1 A 96 96 VAL H H 340 7.745 8.327 -0.582 1
1 1113 . 24 1 1 A 96 96 VAL HA H 340 4.653 4.108 0.545 1
1 1121 . 24 1 1 A 96 96 VAL C C 340 175.494 175.592 -0.098 1
1 1122 . 24 1 1 A 96 96 VAL CA C 340 60.722 63.040 -2.318 1
1 1123 . 24 1 1 A 96 96 VAL CB C 340 33.852 31.480 2.372 1
1 1126 . 24 1 1 A 96 96 VAL N N 340 128.328 125.134 3.194 1
1 1127 . 24 1 1 A 97 97 LEU H H 341 8.524 8.686 -0.162 1
1 1128 . 24 1 1 A 97 97 LEU HA H 341 4.243 4.521 -0.278 1
1 1138 . 24 1 1 A 97 97 LEU C C 341 176.052 176.587 -0.535 1
1 1139 . 24 1 1 A 97 97 LEU CA C 341 54.086 54.447 -0.361 1
1 1140 . 24 1 1 A 97 97 LEU CB C 341 41.446 41.284 0.162 1
1 1144 . 24 1 1 A 97 97 LEU N N 341 136.554 129.476 7.078 1
1 1145 . 24 1 1 A 98 98 ALA H H 342 8.344 8.648 -0.304 1
1 1146 . 24 1 1 A 98 98 ALA HA H 342 4.227 4.304 -0.077 1
1 1150 . 24 1 1 A 98 98 ALA C C 342 177.569 177.128 0.441 1
1 1151 . 24 1 1 A 98 98 ALA CA C 342 51.964 52.871 -0.907 1
1 1152 . 24 1 1 A 98 98 ALA CB C 342 19.976 19.094 0.882 1
1 1153 . 24 1 1 A 98 98 ALA N N 342 134.558 128.495 6.063 1
1 1154 . 24 1 1 A 99 99 LYS H H 343 8.552 9.149 -0.597 1
1 1155 . 24 1 1 A 99 99 LYS HA H 343 4.119 4.342 -0.223 1
1 1164 . 24 1 1 A 99 99 LYS C C 343 175.859 178.379 -2.520 1
1 1165 . 24 1 1 A 99 99 LYS CA C 343 56.453 57.819 -1.366 1
1 1166 . 24 1 1 A 99 99 LYS CB C 343 33.257 33.042 0.215 1
1 1170 . 24 1 1 A 99 99 LYS N N 343 128.906 123.185 5.721 1
1 4 . 25 1 1 A 2 2 ALA HA H -3 4.167 4.450 -0.283 1
1 8 . 25 1 1 A 2 2 ALA C C -3 177.254 176.940 0.314 1
1 9 . 25 1 1 A 2 2 ALA CA C -3 52.427 52.166 0.261 1
1 10 . 25 1 1 A 2 2 ALA CB C -3 19.740 19.944 -0.204 1
1 11 . 25 1 1 A 3 3 MET H H -2 8.135 8.663 -0.528 1
1 12 . 25 1 1 A 3 3 MET HA H -2 4.351 4.968 -0.617 1
1 20 . 25 1 1 A 3 3 MET C C -2 176.007 174.535 1.472 1
1 21 . 25 1 1 A 3 3 MET CA C -2 55.444 53.468 1.976 1
1 22 . 25 1 1 A 3 3 MET CB C -2 34.277 35.877 -1.600 1
1 25 . 25 1 1 A 3 3 MET N N -2 125.628 114.854 10.774 1
1 43 . 25 1 1 A 6 6 PRO HA H 250 4.591 4.643 -0.052 1
1 50 . 25 1 1 A 6 6 PRO C C 250 175.444 175.366 0.078 1
1 51 . 25 1 1 A 6 6 PRO CA C 250 61.829 62.759 -0.930 1
1 52 . 25 1 1 A 6 6 PRO CB C 250 32.464 33.290 -0.826 1
1 55 . 25 1 1 A 7 7 ARG H H 251 7.588 8.685 -1.097 1
1 56 . 25 1 1 A 7 7 ARG HA H 251 4.078 4.756 -0.678 1
1 64 . 25 1 1 A 7 7 ARG C C 251 175.065 174.961 0.104 1
1 65 . 25 1 1 A 7 7 ARG CA C 251 54.552 55.225 -0.673 1
1 66 . 25 1 1 A 7 7 ARG CB C 251 33.587 34.371 -0.784 1
1 69 . 25 1 1 A 7 7 ARG N N 251 124.900 121.669 3.231 1
1 71 . 25 1 1 A 8 8 PHE H H 252 8.893 8.878 0.015 1
1 72 . 25 1 1 A 8 8 PHE HA H 252 4.708 4.809 -0.101 1
1 80 . 25 1 1 A 8 8 PHE CA C 252 59.744 59.425 0.319 1
1 81 . 25 1 1 A 8 8 PHE CB C 252 39.263 39.886 -0.623 1
1 85 . 25 1 1 A 8 8 PHE N N 252 128.828 120.601 8.227 1
1 86 . 25 1 1 A 9 9 ILE H H 253 8.223 9.050 -0.827 1
1 87 . 25 1 1 A 9 9 ILE HA H 253 4.090 4.432 -0.342 1
1 97 . 25 1 1 A 9 9 ILE C C 253 175.698 175.978 -0.280 1
1 98 . 25 1 1 A 9 9 ILE CA C 253 61.230 62.215 -0.985 1
1 99 . 25 1 1 A 9 9 ILE CB C 253 39.165 39.852 -0.687 1
1 103 . 25 1 1 A 9 9 ILE N N 253 128.239 123.388 4.851 1
1 104 . 25 1 1 A 10 10 GLN H H 254 7.437 7.699 -0.262 1
1 105 . 25 1 1 A 10 10 GLN HA H 254 4.450 4.739 -0.289 1
1 112 . 25 1 1 A 10 10 GLN C C 254 174.149 173.980 0.169 1
1 113 . 25 1 1 A 10 10 GLN CA C 254 56.197 55.544 0.653 1
1 114 . 25 1 1 A 10 10 GLN CB C 254 32.367 32.300 0.067 1
1 116 . 25 1 1 A 10 10 GLN N N 254 127.323 116.650 10.673 1
1 118 . 25 1 1 A 11 11 VAL H H 255 8.283 8.693 -0.410 1
1 119 . 25 1 1 A 11 11 VAL HA H 255 4.185 4.447 -0.262 1
1 127 . 25 1 1 A 11 11 VAL CA C 255 57.931 57.572 0.359 1
1 128 . 25 1 1 A 11 11 VAL CB C 255 33.230 34.222 -0.992 1
1 131 . 25 1 1 A 11 11 VAL N N 255 126.734 119.098 7.636 1
1 132 . 25 1 1 A 12 12 PRO HA H 256 4.538 4.478 0.060 1
1 139 . 25 1 1 A 12 12 PRO CA C 256 62.209 62.498 -0.289 1
1 140 . 25 1 1 A 12 12 PRO CB C 256 31.724 31.888 -0.164 1
1 143 . 25 1 1 A 13 13 GLU H H 257 7.870 8.550 -0.680 1
1 144 . 25 1 1 A 13 13 GLU HA H 257 4.257 4.559 -0.302 1
1 149 . 25 1 1 A 13 13 GLU CA C 257 54.764 55.957 -1.193 1
1 150 . 25 1 1 A 13 13 GLU CB C 257 31.690 30.781 0.909 1
1 152 . 25 1 1 A 13 13 GLU N N 257 124.369 121.446 2.923 1
1 153 . 25 1 1 A 14 14 ASN H H 258 8.133 8.596 -0.463 1
1 154 . 25 1 1 A 14 14 ASN HA H 258 4.639 4.787 -0.148 1
1 159 . 25 1 1 A 14 14 ASN CA C 258 54.285 54.028 0.257 1
1 160 . 25 1 1 A 14 14 ASN CB C 258 38.023 38.742 -0.719 1
1 161 . 25 1 1 A 14 14 ASN N N 258 123.151 120.634 2.517 1
1 163 . 25 1 1 A 15 15 MET H H 259 8.295 9.210 -0.915 1
1 164 . 25 1 1 A 15 15 MET HA H 259 4.695 5.179 -0.484 1
1 172 . 25 1 1 A 15 15 MET C C 259 174.675 174.948 -0.273 1
1 173 . 25 1 1 A 15 15 MET CA C 259 55.153 54.155 0.998 1
1 174 . 25 1 1 A 15 15 MET CB C 259 38.064 34.952 3.112 1
1 177 . 25 1 1 A 15 15 MET N N 259 125.442 122.717 2.725 1
1 178 . 25 1 1 A 16 16 SER H H 260 8.332 8.922 -0.590 1
1 179 . 25 1 1 A 16 16 SER HA H 260 5.261 5.502 -0.241 1
1 182 . 25 1 1 A 16 16 SER C C 260 172.889 173.210 -0.321 1
1 183 . 25 1 1 A 16 16 SER CA C 260 56.748 57.424 -0.676 1
1 184 . 25 1 1 A 16 16 SER CB C 260 64.170 65.373 -1.203 1
1 185 . 25 1 1 A 16 16 SER N N 260 125.417 113.133 12.284 1
1 186 . 25 1 1 A 17 17 ILE H H 261 8.394 9.045 -0.651 1
1 187 . 25 1 1 A 17 17 ILE HA H 261 4.366 4.669 -0.303 1
1 197 . 25 1 1 A 17 17 ILE C C 261 173.465 175.097 -1.632 1
1 198 . 25 1 1 A 17 17 ILE CA C 261 57.461 60.113 -2.652 1
1 199 . 25 1 1 A 17 17 ILE CB C 261 41.882 41.680 0.202 1
1 203 . 25 1 1 A 17 17 ILE N N 261 131.680 125.839 5.841 1
1 204 . 25 1 1 A 18 18 ASP H H 262 8.043 8.766 -0.723 1
1 205 . 25 1 1 A 18 18 ASP HA H 262 4.498 4.592 -0.094 1
1 208 . 25 1 1 A 18 18 ASP C C 262 174.970 175.892 -0.922 1
1 209 . 25 1 1 A 18 18 ASP CA C 262 54.962 54.733 0.229 1
1 210 . 25 1 1 A 18 18 ASP CB C 262 41.518 41.167 0.351 1
1 211 . 25 1 1 A 18 18 ASP N N 262 132.455 127.364 5.091 1
1 212 . 25 1 1 A 19 19 GLU H H 263 8.058 8.723 -0.665 1
1 213 . 25 1 1 A 19 19 GLU HA H 263 3.322 3.907 -0.585 1
1 218 . 25 1 1 A 19 19 GLU C C 263 176.656 177.233 -0.577 1
1 219 . 25 1 1 A 19 19 GLU CA C 263 58.351 58.314 0.037 1
1 220 . 25 1 1 A 19 19 GLU CB C 263 29.716 29.252 0.464 1
1 222 . 25 1 1 A 19 19 GLU N N 263 126.424 124.810 1.614 1
1 223 . 25 1 1 A 20 20 GLY H H 264 9.131 9.085 0.046 1
1 224 . 25 1 1 A 20 20 GLY HA2 H 264 3.366 3.985 -0.619 1
1 225 . 25 1 1 A 20 20 GLY HA3 H 264 4.196 3.987 0.209 1
1 226 . 25 1 1 A 20 20 GLY C C 264 174.582 174.787 -0.205 1
1 227 . 25 1 1 A 20 20 GLY CA C 264 44.837 45.069 -0.232 1
1 228 . 25 1 1 A 20 20 GLY N N 264 119.124 114.910 4.214 1
1 229 . 25 1 1 A 21 21 ARG H H 265 7.192 7.414 -0.222 1
1 230 . 25 1 1 A 21 21 ARG HA H 265 4.377 4.410 -0.033 1
1 238 . 25 1 1 A 21 21 ARG C C 265 174.091 175.796 -1.705 1
1 239 . 25 1 1 A 21 21 ARG CA C 265 55.263 55.901 -0.638 1
1 240 . 25 1 1 A 21 21 ARG CB C 265 31.467 31.689 -0.222 1
1 243 . 25 1 1 A 21 21 ARG N N 265 126.182 120.389 5.793 1
1 245 . 25 1 1 A 22 22 PHE H H 266 7.699 8.851 -1.152 1
1 246 . 25 1 1 A 22 22 PHE HA H 266 4.688 4.961 -0.273 1
1 254 . 25 1 1 A 22 22 PHE C C 266 175.911 174.995 0.916 1
1 255 . 25 1 1 A 22 22 PHE CA C 266 57.132 59.206 -2.074 1
1 256 . 25 1 1 A 22 22 PHE CB C 266 41.270 40.068 1.202 1
1 260 . 25 1 1 A 22 22 PHE N N 266 127.111 122.883 4.228 1
1 261 . 25 1 1 A 23 23 CYS H H 267 8.140 8.396 -0.256 1
1 262 . 25 1 1 A 23 23 CYS HA H 267 4.282 5.029 -0.747 1
1 265 . 25 1 1 A 23 23 CYS C C 267 170.233 172.640 -2.407 1
1 266 . 25 1 1 A 23 23 CYS CA C 267 57.626 57.912 -0.286 1
1 267 . 25 1 1 A 23 23 CYS CB C 267 30.411 32.281 -1.870 1
1 268 . 25 1 1 A 23 23 CYS N N 267 130.194 125.845 4.349 1
1 269 . 25 1 1 A 24 24 ARG H H 268 8.160 8.954 -0.794 1
1 270 . 25 1 1 A 24 24 ARG HA H 268 5.167 5.237 -0.070 1
1 278 . 25 1 1 A 24 24 ARG CA C 268 53.910 54.002 -0.092 1
1 279 . 25 1 1 A 24 24 ARG CB C 268 35.114 34.431 0.683 1
1 283 . 25 1 1 A 25 25 MET H H 269 8.839 8.890 -0.051 1
1 284 . 25 1 1 A 25 25 MET HA H 269 4.518 5.334 -0.816 1
1 292 . 25 1 1 A 25 25 MET C C 269 174.090 174.250 -0.160 1
1 293 . 25 1 1 A 25 25 MET CA C 269 54.960 53.745 1.215 1
1 294 . 25 1 1 A 25 25 MET CB C 269 35.645 37.296 -1.651 1
1 297 . 25 1 1 A 25 25 MET N N 269 127.757 119.305 8.452 1
1 298 . 25 1 1 A 26 26 ASP H H 270 8.473 9.088 -0.615 1
1 299 . 25 1 1 A 26 26 ASP HA H 270 5.772 5.310 0.462 1
1 302 . 25 1 1 A 26 26 ASP CA C 270 53.157 53.319 -0.162 1
1 303 . 25 1 1 A 26 26 ASP CB C 270 43.595 42.246 1.349 1
1 304 . 25 1 1 A 26 26 ASP N N 270 129.880 120.578 9.302 1
1 305 . 25 1 1 A 27 27 PHE H H 271 9.180 9.138 0.042 1
1 306 . 25 1 1 A 27 27 PHE HA H 271 5.014 4.906 0.108 1
1 314 . 25 1 1 A 27 27 PHE CA C 271 55.904 56.673 -0.769 1
1 317 . 25 1 1 A 27 27 PHE N N 271 123.116 123.835 -0.719 1
1 318 . 25 1 1 A 28 28 LYS H H 272 9.221 8.300 0.921 1
1 327 . 25 1 1 A 28 28 LYS CA C 272 59.294 56.718 2.576 1
1 328 . 25 1 1 A 28 28 LYS CB C 272 38.090 32.710 5.380 1
1 332 . 25 1 1 A 28 28 LYS N N 272 131.321 125.068 6.253 1
1 333 . 25 1 1 A 29 29 VAL H H 273 8.304 8.580 -0.276 1
1 334 . 25 1 1 A 29 29 VAL HA H 273 4.331 4.735 -0.404 1
1 342 . 25 1 1 A 29 29 VAL C C 273 175.240 174.176 1.064 1
1 343 . 25 1 1 A 29 29 VAL CA C 273 61.020 59.614 1.406 1
1 344 . 25 1 1 A 29 29 VAL CB C 273 33.889 35.647 -1.758 1
1 347 . 25 1 1 A 30 30 SER H H 274 8.545 8.743 -0.198 1
1 348 . 25 1 1 A 30 30 SER HA H 274 4.647 5.025 -0.378 1
1 351 . 25 1 1 A 30 30 SER C C 274 172.993 173.481 -0.488 1
1 352 . 25 1 1 A 30 30 SER CA C 274 56.505 56.371 0.134 1
1 353 . 25 1 1 A 30 30 SER CB C 274 65.805 65.657 0.148 1
1 354 . 25 1 1 A 30 30 SER N N 274 129.796 119.708 10.088 1
1 355 . 25 1 1 A 31 31 GLY H H 275 7.712 8.554 -0.842 1
1 356 . 25 1 1 A 31 31 GLY HA2 H 275 3.220 4.142 -0.922 1
1 357 . 25 1 1 A 31 31 GLY HA3 H 275 3.649 4.143 -0.494 1
1 358 . 25 1 1 A 31 31 GLY C C 275 170.984 172.079 -1.095 1
1 359 . 25 1 1 A 31 31 GLY CA C 275 45.099 44.287 0.812 1
1 360 . 25 1 1 A 31 31 GLY N N 275 115.009 108.644 6.365 1
1 361 . 25 1 1 A 32 32 LEU H H 276 7.668 8.471 -0.803 1
1 362 . 25 1 1 A 32 32 LEU HA H 276 4.301 4.980 -0.679 1
1 372 . 25 1 1 A 32 32 LEU C C 276 173.812 174.681 -0.869 1
1 373 . 25 1 1 A 32 32 LEU CA C 276 52.370 51.364 1.006 1
1 374 . 25 1 1 A 32 32 LEU CB C 276 45.554 45.765 -0.211 1
1 378 . 25 1 1 A 32 32 LEU N N 276 129.727 120.875 8.852 1
1 379 . 25 1 1 A 33 33 PRO HA H 277 4.416 4.614 -0.198 1
1 386 . 25 1 1 A 33 33 PRO CA C 277 62.576 62.375 0.201 1
1 387 . 25 1 1 A 33 33 PRO CB C 277 35.012 32.578 2.434 1
1 390 . 25 1 1 A 34 34 ALA H H 278 8.598 8.333 0.265 1
1 391 . 25 1 1 A 34 34 ALA HA H 278 4.153 4.315 -0.162 1
1 395 . 25 1 1 A 34 34 ALA CA C 278 50.822 50.663 0.159 1
1 396 . 25 1 1 A 34 34 ALA CB C 278 17.462 18.568 -1.106 1
1 397 . 25 1 1 A 34 34 ALA N N 278 131.518 124.428 7.090 1
1 398 . 25 1 1 A 35 35 PRO HA H 279 4.206 4.596 -0.390 1
1 405 . 25 1 1 A 35 35 PRO C C 279 175.701 176.043 -0.342 1
1 406 . 25 1 1 A 35 35 PRO CA C 279 62.628 62.496 0.132 1
1 407 . 25 1 1 A 35 35 PRO CB C 279 33.069 32.014 1.055 1
1 410 . 25 1 1 A 36 36 ASP H H 280 8.621 8.477 0.144 1
1 411 . 25 1 1 A 36 36 ASP HA H 280 4.659 4.654 0.005 1
1 414 . 25 1 1 A 36 36 ASP C C 280 176.057 176.081 -0.024 1
1 415 . 25 1 1 A 36 36 ASP CA C 280 54.307 54.057 0.250 1
1 416 . 25 1 1 A 36 36 ASP CB C 280 42.741 41.750 0.991 1
1 417 . 25 1 1 A 36 36 ASP N N 280 127.555 122.142 5.413 1
1 418 . 25 1 1 A 37 37 VAL H H 281 8.635 8.962 -0.327 1
1 419 . 25 1 1 A 37 37 VAL HA H 281 4.938 4.966 -0.028 1
1 427 . 25 1 1 A 37 37 VAL CA C 281 61.135 59.839 1.296 1
1 428 . 25 1 1 A 37 37 VAL CB C 281 34.579 34.345 0.234 1
1 431 . 25 1 1 A 38 38 SER H H 282 8.591 8.400 0.191 1
1 432 . 25 1 1 A 38 38 SER HA H 282 4.518 5.442 -0.924 1
1 435 . 25 1 1 A 38 38 SER CA C 282 57.540 57.156 0.384 1
1 436 . 25 1 1 A 38 38 SER CB C 282 66.530 66.164 0.366 1
1 437 . 25 1 1 A 38 38 SER N N 282 128.264 119.907 8.357 1
1 438 . 25 1 1 A 39 39 TRP H H 283 8.426 8.388 0.038 1
1 439 . 25 1 1 A 39 39 TRP HA H 283 5.297 5.592 -0.295 1
1 448 . 25 1 1 A 39 39 TRP CA C 283 56.298 55.934 0.364 1
1 449 . 25 1 1 A 39 39 TRP CB C 283 33.153 33.374 -0.221 1
1 455 . 25 1 1 A 39 39 TRP N N 283 127.698 122.488 5.210 1
1 456 . 25 1 1 A 40 40 TYR H H 284 9.373 9.203 0.170 1
1 457 . 25 1 1 A 40 40 TYR HA H 284 4.903 5.348 -0.445 1
1 464 . 25 1 1 A 40 40 TYR C C 284 174.148 174.570 -0.422 1
1 465 . 25 1 1 A 40 40 TYR CA C 284 56.849 56.296 0.553 1
1 466 . 25 1 1 A 40 40 TYR CB C 284 42.754 43.299 -0.545 1
1 469 . 25 1 1 A 40 40 TYR N N 284 125.437 119.793 5.644 1
1 470 . 25 1 1 A 41 41 LEU H H 285 8.898 9.131 -0.233 1
1 471 . 25 1 1 A 41 41 LEU HA H 285 4.255 4.567 -0.312 1
1 481 . 25 1 1 A 41 41 LEU C C 285 176.606 175.459 1.147 1
1 482 . 25 1 1 A 41 41 LEU CA C 285 53.659 54.088 -0.429 1
1 483 . 25 1 1 A 41 41 LEU CB C 285 43.740 44.856 -1.116 1
1 487 . 25 1 1 A 41 41 LEU N N 285 129.512 122.553 6.959 1
1 488 . 25 1 1 A 42 42 ASN H H 286 9.454 9.367 0.087 1
1 489 . 25 1 1 A 42 42 ASN HA H 286 4.221 4.408 -0.187 1
1 494 . 25 1 1 A 42 42 ASN C C 286 175.692 175.364 0.328 1
1 495 . 25 1 1 A 42 42 ASN CA C 286 54.239 54.410 -0.171 1
1 496 . 25 1 1 A 42 42 ASN CB C 286 37.331 36.897 0.434 1
1 497 . 25 1 1 A 42 42 ASN N N 286 134.097 125.961 8.136 1
1 499 . 25 1 1 A 43 43 GLY H H 287 8.709 8.408 0.301 1
1 500 . 25 1 1 A 43 43 GLY HA2 H 287 3.356 4.079 -0.723 1
1 501 . 25 1 1 A 43 43 GLY HA3 H 287 3.995 4.080 -0.085 1
1 502 . 25 1 1 A 43 43 GLY C C 287 173.786 174.051 -0.265 1
1 503 . 25 1 1 A 43 43 GLY CA C 287 45.450 45.024 0.426 1
1 504 . 25 1 1 A 43 43 GLY N N 287 108.807 105.132 3.675 1
1 505 . 25 1 1 A 44 44 ARG H H 288 7.902 7.803 0.099 1
1 506 . 25 1 1 A 44 44 ARG HA H 288 4.697 4.934 -0.237 1
1 514 . 25 1 1 A 44 44 ARG C C 288 175.799 175.744 0.055 1
1 515 . 25 1 1 A 44 44 ARG CA C 288 54.658 54.680 -0.022 1
1 516 . 25 1 1 A 44 44 ARG CB C 288 32.436 32.709 -0.273 1
1 519 . 25 1 1 A 44 44 ARG N N 288 127.837 117.477 10.360 1
1 521 . 25 1 1 A 45 45 THR H H 289 8.539 8.685 -0.146 1
1 522 . 25 1 1 A 45 45 THR HA H 289 3.763 4.305 -0.542 1
1 527 . 25 1 1 A 45 45 THR C C 289 174.692 174.297 0.395 1
1 528 . 25 1 1 A 45 45 THR CA C 289 63.977 61.595 2.382 1
1 529 . 25 1 1 A 45 45 THR CB C 289 69.706 69.881 -0.175 1
1 531 . 25 1 1 A 45 45 THR N N 289 126.100 113.216 12.884 1
1 532 . 25 1 1 A 46 46 VAL H H 290 8.033 8.478 -0.445 1
1 533 . 25 1 1 A 46 46 VAL HA H 290 3.647 4.506 -0.859 1
1 541 . 25 1 1 A 46 46 VAL C C 290 174.672 175.409 -0.737 1
1 542 . 25 1 1 A 46 46 VAL CA C 290 62.458 61.406 1.052 1
1 543 . 25 1 1 A 46 46 VAL CB C 290 32.500 34.101 -1.601 1
1 546 . 25 1 1 A 46 46 VAL N N 290 134.795 121.297 13.498 1
1 547 . 25 1 1 A 47 47 GLN H H 291 8.124 8.540 -0.416 1
1 548 . 25 1 1 A 47 47 GLN HA H 291 4.281 4.290 -0.009 1
1 555 . 25 1 1 A 47 47 GLN C C 291 175.398 175.601 -0.203 1
1 556 . 25 1 1 A 47 47 GLN CA C 291 54.235 56.315 -2.080 1
1 557 . 25 1 1 A 47 47 GLN CB C 291 30.283 29.270 1.013 1
1 559 . 25 1 1 A 47 47 GLN N N 291 132.792 127.283 5.509 1
1 561 . 25 1 1 A 48 48 SER H H 292 8.280 8.604 -0.324 1
1 562 . 25 1 1 A 48 48 SER HA H 292 4.308 4.442 -0.134 1
1 565 . 25 1 1 A 48 48 SER C C 292 174.304 173.648 0.656 1
1 566 . 25 1 1 A 48 48 SER CA C 292 58.222 58.485 -0.263 1
1 567 . 25 1 1 A 48 48 SER CB C 292 63.719 63.445 0.274 1
1 568 . 25 1 1 A 48 48 SER N N 292 123.481 117.144 6.337 1
1 569 . 25 1 1 A 49 49 ASP H H 293 9.050 8.693 0.357 1
1 570 . 25 1 1 A 49 49 ASP HA H 293 4.482 5.051 -0.569 1
1 573 . 25 1 1 A 49 49 ASP C C 293 176.099 175.690 0.409 1
1 574 . 25 1 1 A 49 49 ASP CA C 293 53.668 53.028 0.640 1
1 575 . 25 1 1 A 49 49 ASP CB C 293 40.100 44.306 -4.206 1
1 576 . 25 1 1 A 49 49 ASP N N 293 131.157 122.627 8.530 1
1 577 . 25 1 1 A 50 50 ASP H H 294 8.324 8.905 -0.581 1
1 578 . 25 1 1 A 50 50 ASP HA H 294 4.167 4.264 -0.097 1
1 581 . 25 1 1 A 50 50 ASP C C 294 176.520 177.588 -1.068 1
1 582 . 25 1 1 A 50 50 ASP CA C 294 57.367 57.609 -0.242 1
1 583 . 25 1 1 A 50 50 ASP CB C 294 40.226 40.500 -0.274 1
1 584 . 25 1 1 A 50 50 ASP N N 294 122.206 124.867 -2.661 1
1 585 . 25 1 1 A 51 51 LEU H H 295 7.749 7.729 0.020 1
1 586 . 25 1 1 A 51 51 LEU HA H 295 4.281 4.188 0.093 1
1 596 . 25 1 1 A 51 51 LEU C C 295 175.716 176.493 -0.777 1
1 597 . 25 1 1 A 51 51 LEU CA C 295 54.407 55.301 -0.894 1
1 598 . 25 1 1 A 51 51 LEU CB C 295 43.849 42.237 1.612 1
1 602 . 25 1 1 A 51 51 LEU N N 295 121.836 117.923 3.913 1
1 603 . 25 1 1 A 52 52 HIS H H 296 7.548 7.449 0.099 1
1 604 . 25 1 1 A 52 52 HIS HA H 296 5.091 4.807 0.284 1
1 609 . 25 1 1 A 52 52 HIS C C 296 172.683 173.885 -1.202 1
1 610 . 25 1 1 A 52 52 HIS CA C 296 54.900 53.750 1.150 1
1 611 . 25 1 1 A 52 52 HIS CB C 296 28.894 29.212 -0.318 1
1 614 . 25 1 1 A 52 52 HIS N N 296 126.326 115.863 10.463 1
1 615 . 25 1 1 A 53 53 LYS H H 297 8.515 8.543 -0.028 1
1 616 . 25 1 1 A 53 53 LYS HA H 297 4.608 4.279 0.329 1
1 625 . 25 1 1 A 53 53 LYS C C 297 174.797 175.508 -0.711 1
1 626 . 25 1 1 A 53 53 LYS CA C 297 54.303 56.786 -2.483 1
1 627 . 25 1 1 A 53 53 LYS CB C 297 35.705 33.228 2.477 1
1 631 . 25 1 1 A 53 53 LYS N N 297 127.067 123.039 4.028 1
1 632 . 25 1 1 A 54 54 MET H H 298 8.379 8.858 -0.479 1
1 633 . 25 1 1 A 54 54 MET HA H 298 5.091 5.131 -0.040 1
1 641 . 25 1 1 A 54 54 MET CA C 298 55.427 54.841 0.586 1
1 642 . 25 1 1 A 54 54 MET CB C 298 34.100 35.469 -1.369 1
1 645 . 25 1 1 A 54 54 MET N N 298 128.992 121.081 7.911 1
1 646 . 25 1 1 A 55 55 ILE H H 299 8.279 8.867 -0.588 1
1 647 . 25 1 1 A 55 55 ILE HA H 299 4.602 5.097 -0.495 1
1 657 . 25 1 1 A 55 55 ILE CA C 299 59.130 59.068 0.062 1
1 658 . 25 1 1 A 55 55 ILE CB C 299 42.747 42.215 0.532 1
1 662 . 25 1 1 A 56 56 VAL H H 300 9.227 8.858 0.369 1
1 663 . 25 1 1 A 56 56 VAL HA H 300 4.912 4.650 0.262 1
1 671 . 25 1 1 A 56 56 VAL CA C 300 59.226 61.579 -2.353 1
1 672 . 25 1 1 A 56 56 VAL CB C 300 36.406 31.600 4.806 1
1 675 . 25 1 1 A 57 57 SER H H 301 8.794 8.472 0.322 1
1 676 . 25 1 1 A 57 57 SER HA H 301 4.575 4.478 0.097 1
1 679 . 25 1 1 A 57 57 SER CA C 301 56.558 58.817 -2.259 1
1 680 . 25 1 1 A 57 57 SER CB C 301 65.617 64.109 1.508 1
1 681 . 25 1 1 A 57 57 SER N N 301 128.893 123.181 5.712 1
1 682 . 25 1 1 A 58 58 GLU HA H 302 4.013 4.253 -0.240 1
1 687 . 25 1 1 A 58 58 GLU CA C 302 58.165 56.587 1.578 1
1 688 . 25 1 1 A 58 58 GLU CB C 302 29.508 30.329 -0.821 1
1 690 . 25 1 1 A 59 59 LYS HA H 303 4.114 3.980 0.134 1
1 699 . 25 1 1 A 59 59 LYS C C 303 176.755 176.831 -0.076 1
1 700 . 25 1 1 A 59 59 LYS CA C 303 55.913 57.384 -1.471 1
1 701 . 25 1 1 A 59 59 LYS CB C 303 31.679 30.343 1.336 1
1 705 . 25 1 1 A 60 60 GLY H H 304 7.813 8.699 -0.886 1
1 706 . 25 1 1 A 60 60 GLY HA2 H 304 4.037 3.961 0.076 1
1 707 . 25 1 1 A 60 60 GLY HA3 H 304 3.411 3.964 -0.553 1
1 708 . 25 1 1 A 60 60 GLY C C 304 173.480 173.827 -0.347 1
1 709 . 25 1 1 A 60 60 GLY CA C 304 45.955 46.609 -0.654 1
1 710 . 25 1 1 A 60 60 GLY N N 304 113.597 105.036 8.561 1
1 711 . 25 1 1 A 61 61 LEU H H 305 7.253 7.725 -0.472 1
1 712 . 25 1 1 A 61 61 LEU HA H 305 4.396 5.157 -0.761 1
1 722 . 25 1 1 A 61 61 LEU CA C 305 54.825 53.614 1.211 1
1 723 . 25 1 1 A 61 61 LEU CB C 305 43.099 46.345 -3.246 1
1 727 . 25 1 1 A 61 61 LEU N N 305 128.081 119.906 8.175 1
1 728 . 25 1 1 A 62 62 HIS H H 306 8.294 9.033 -0.739 1
1 733 . 25 1 1 A 62 62 HIS N N 306 130.344 126.035 4.309 1
1 734 . 25 1 1 A 63 63 SER HA H 307 5.980 4.724 1.256 1
1 737 . 25 1 1 A 63 63 SER CA C 307 57.517 58.645 -1.128 1
1 738 . 25 1 1 A 63 63 SER CB C 307 66.760 63.974 2.786 1
1 739 . 25 1 1 A 64 64 LEU H H 308 8.827 8.363 0.464 1
1 740 . 25 1 1 A 64 64 LEU HA H 308 4.657 4.593 0.064 1
1 750 . 25 1 1 A 64 64 LEU C C 308 174.337 174.545 -0.208 1
1 751 . 25 1 1 A 64 64 LEU CA C 308 54.386 53.399 0.987 1
1 752 . 25 1 1 A 64 64 LEU CB C 308 42.678 44.667 -1.989 1
1 756 . 25 1 1 A 65 65 ILE H H 309 9.009 8.609 0.400 1
1 757 . 25 1 1 A 65 65 ILE HA H 309 3.880 4.760 -0.880 1
1 767 . 25 1 1 A 65 65 ILE C C 309 173.963 174.610 -0.647 1
1 768 . 25 1 1 A 65 65 ILE CA C 309 60.296 59.378 0.918 1
1 769 . 25 1 1 A 65 65 ILE CB C 309 40.727 41.159 -0.432 1
1 773 . 25 1 1 A 65 65 ILE N N 309 133.046 127.228 5.818 1
1 774 . 25 1 1 A 66 66 PHE H H 310 8.508 8.715 -0.207 1
1 775 . 25 1 1 A 66 66 PHE HA H 310 4.367 4.904 -0.537 1
1 783 . 25 1 1 A 66 66 PHE C C 310 174.555 175.556 -1.001 1
1 784 . 25 1 1 A 66 66 PHE CA C 310 54.878 55.994 -1.116 1
1 785 . 25 1 1 A 66 66 PHE CB C 310 38.819 40.611 -1.792 1
1 789 . 25 1 1 A 66 66 PHE N N 310 132.294 123.823 8.471 1
1 790 . 25 1 1 A 67 67 GLU H H 311 7.879 8.791 -0.912 1
1 791 . 25 1 1 A 67 67 GLU HA H 311 4.025 4.436 -0.411 1
1 796 . 25 1 1 A 67 67 GLU C C 311 177.819 177.171 0.648 1
1 797 . 25 1 1 A 67 67 GLU CA C 311 59.266 59.187 0.079 1
1 798 . 25 1 1 A 67 67 GLU CB C 311 30.421 30.672 -0.251 1
1 800 . 25 1 1 A 67 67 GLU N N 311 127.092 123.830 3.262 1
1 801 . 25 1 1 A 68 68 VAL H H 312 7.428 7.587 -0.159 1
1 802 . 25 1 1 A 68 68 VAL HA H 312 3.402 4.483 -1.081 1
1 810 . 25 1 1 A 68 68 VAL C C 312 173.921 174.130 -0.209 1
1 811 . 25 1 1 A 68 68 VAL CA C 312 61.444 61.114 0.330 1
1 812 . 25 1 1 A 68 68 VAL CB C 312 34.790 32.841 1.949 1
1 815 . 25 1 1 A 68 68 VAL N N 312 120.315 116.837 3.478 1
1 816 . 25 1 1 A 69 69 VAL H H 313 8.233 8.645 -0.412 1
1 817 . 25 1 1 A 69 69 VAL HA H 313 3.829 4.252 -0.423 1
1 825 . 25 1 1 A 69 69 VAL C C 313 175.123 175.022 0.101 1
1 826 . 25 1 1 A 69 69 VAL CA C 313 63.200 62.637 0.563 1
1 827 . 25 1 1 A 69 69 VAL CB C 313 32.836 32.595 0.241 1
1 830 . 25 1 1 A 69 69 VAL N N 313 132.928 128.887 4.041 1
1 831 . 25 1 1 A 70 70 ARG H H 314 9.259 8.999 0.260 1
1 832 . 25 1 1 A 70 70 ARG HA H 314 4.776 4.724 0.052 1
1 839 . 25 1 1 A 70 70 ARG C C 314 177.491 176.867 0.624 1
1 840 . 25 1 1 A 70 70 ARG CA C 314 53.728 54.045 -0.317 1
1 841 . 25 1 1 A 70 70 ARG CB C 314 34.282 32.999 1.283 1
1 844 . 25 1 1 A 70 70 ARG N N 314 133.209 127.799 5.410 1
1 845 . 25 1 1 A 71 71 ALA H H 315 9.059 8.893 0.166 1
1 846 . 25 1 1 A 71 71 ALA HA H 315 3.676 3.999 -0.323 1
1 850 . 25 1 1 A 71 71 ALA C C 315 180.122 179.460 0.662 1
1 851 . 25 1 1 A 71 71 ALA CA C 315 56.356 55.112 1.244 1
1 852 . 25 1 1 A 71 71 ALA CB C 315 17.923 18.405 -0.482 1
1 853 . 25 1 1 A 71 71 ALA N N 315 131.839 124.385 7.454 1
1 854 . 25 1 1 A 72 72 SER H H 316 7.735 8.318 -0.583 1
1 855 . 25 1 1 A 72 72 SER HA H 316 4.046 4.235 -0.189 1
1 858 . 25 1 1 A 72 72 SER C C 316 175.495 174.906 0.589 1
1 859 . 25 1 1 A 72 72 SER CA C 316 60.037 61.067 -1.030 1
1 860 . 25 1 1 A 72 72 SER CB C 316 62.381 62.615 -0.234 1
1 861 . 25 1 1 A 72 72 SER N N 316 115.841 112.078 3.763 1
1 862 . 25 1 1 A 73 73 ASP H H 317 8.175 7.908 0.267 1
1 863 . 25 1 1 A 73 73 ASP HA H 317 4.644 4.763 -0.119 1
1 866 . 25 1 1 A 73 73 ASP C C 317 176.176 176.169 0.007 1
1 867 . 25 1 1 A 73 73 ASP CA C 317 55.305 54.690 0.615 1
1 868 . 25 1 1 A 73 73 ASP CB C 317 42.572 41.427 1.145 1
1 869 . 25 1 1 A 73 73 ASP N N 317 126.327 120.079 6.248 1
1 870 . 25 1 1 A 74 74 ALA H H 318 7.339 6.957 0.382 1
1 871 . 25 1 1 A 74 74 ALA HA H 318 4.013 4.277 -0.264 1
1 875 . 25 1 1 A 74 74 ALA C C 318 176.813 177.266 -0.453 1
1 876 . 25 1 1 A 74 74 ALA CA C 318 53.570 53.032 0.538 1
1 877 . 25 1 1 A 74 74 ALA CB C 318 20.548 20.531 0.017 1
1 878 . 25 1 1 A 74 74 ALA N N 318 127.859 121.975 5.884 1
1 879 . 25 1 1 A 75 75 GLY H H 319 8.797 8.710 0.087 1
1 880 . 25 1 1 A 75 75 GLY HA2 H 319 3.599 4.072 -0.473 1
1 881 . 25 1 1 A 75 75 GLY HA3 H 319 4.239 4.128 0.111 1
1 882 . 25 1 1 A 75 75 GLY C C 319 170.102 172.324 -2.222 1
1 883 . 25 1 1 A 75 75 GLY CA C 319 45.105 44.101 1.004 1
1 884 . 25 1 1 A 75 75 GLY N N 319 114.261 107.148 7.113 1
1 885 . 25 1 1 A 76 76 ALA H H 320 7.621 8.055 -0.434 1
1 886 . 25 1 1 A 76 76 ALA HA H 320 4.521 4.673 -0.152 1
1 890 . 25 1 1 A 76 76 ALA C C 320 176.291 176.485 -0.194 1
1 891 . 25 1 1 A 76 76 ALA CA C 320 51.158 51.529 -0.371 1
1 892 . 25 1 1 A 76 76 ALA CB C 320 19.242 19.270 -0.028 1
1 893 . 25 1 1 A 76 76 ALA N N 320 129.042 122.933 6.109 1
1 894 . 25 1 1 A 77 77 TYR H H 321 9.406 8.929 0.477 1
1 895 . 25 1 1 A 77 77 TYR HA H 321 5.237 5.185 0.052 1
1 903 . 25 1 1 A 77 77 TYR C C 321 175.676 176.056 -0.380 1
1 904 . 25 1 1 A 77 77 TYR CA C 321 57.779 58.174 -0.395 1
1 905 . 25 1 1 A 77 77 TYR CB C 321 40.623 39.999 0.624 1
1 908 . 25 1 1 A 77 77 TYR N N 321 132.635 124.695 7.940 1
1 909 . 25 1 1 A 78 78 ALA H H 322 9.084 9.011 0.073 1
1 910 . 25 1 1 A 78 78 ALA HA H 322 5.031 5.308 -0.277 1
1 914 . 25 1 1 A 78 78 ALA CA C 322 50.120 51.245 -1.125 1
1 915 . 25 1 1 A 78 78 ALA CB C 322 21.653 24.025 -2.372 1
1 916 . 25 1 1 A 78 78 ALA N N 322 130.291 122.408 7.883 1
1 917 . 25 1 1 A 79 79 CYS H H 323 7.932 8.993 -1.061 1
1 918 . 25 1 1 A 79 79 CYS HA H 323 4.037 5.006 -0.969 1
1 919 . 25 1 1 A 79 79 CYS C C 323 173.727 172.752 0.975 1
1 920 . 25 1 1 A 79 79 CYS CA C 323 56.345 56.872 -0.527 1
1 921 . 25 1 1 A 80 80 VAL H H 324 8.671 8.841 -0.170 1
1 922 . 25 1 1 A 80 80 VAL HA H 324 4.596 4.556 0.040 1
1 930 . 25 1 1 A 80 80 VAL C C 324 174.904 174.649 0.255 1
1 931 . 25 1 1 A 80 80 VAL CA C 324 60.907 60.886 0.021 1
1 932 . 25 1 1 A 80 80 VAL CB C 324 34.334 34.405 -0.071 1
1 934 . 25 1 1 A 80 80 VAL N N 324 135.079 124.532 10.547 1
1 935 . 25 1 1 A 81 81 ALA H H 325 9.107 8.931 0.176 1
1 936 . 25 1 1 A 81 81 ALA HA H 325 5.220 5.374 -0.154 1
1 940 . 25 1 1 A 81 81 ALA C C 325 175.446 176.185 -0.739 1
1 941 . 25 1 1 A 81 81 ALA CA C 325 49.197 50.067 -0.870 1
1 942 . 25 1 1 A 81 81 ALA CB C 325 22.479 21.003 1.476 1
1 943 . 25 1 1 A 81 81 ALA N N 325 136.369 130.380 5.989 1
1 944 . 25 1 1 A 82 82 LYS H H 326 8.734 8.921 -0.187 1
1 945 . 25 1 1 A 82 82 LYS HA H 326 5.021 5.066 -0.045 1
1 954 . 25 1 1 A 82 82 LYS C C 326 175.054 175.247 -0.193 1
1 955 . 25 1 1 A 82 82 LYS CA C 326 55.451 54.525 0.926 1
1 956 . 25 1 1 A 82 82 LYS CB C 326 37.852 35.403 2.449 1
1 960 . 25 1 1 A 82 82 LYS N N 326 128.038 122.741 5.297 1
1 961 . 25 1 1 A 83 83 ASN H H 327 8.949 8.872 0.077 1
1 962 . 25 1 1 A 83 83 ASN HA H 327 4.624 5.145 -0.521 1
1 967 . 25 1 1 A 83 83 ASN C C 327 176.409 175.286 1.123 1
1 968 . 25 1 1 A 83 83 ASN CA C 327 51.838 51.414 0.424 1
1 969 . 25 1 1 A 83 83 ASN CB C 327 40.927 40.306 0.621 1
1 970 . 25 1 1 A 83 83 ASN N N 327 128.769 121.903 6.866 1
1 972 . 25 1 1 A 84 84 ARG H H 328 8.203 9.112 -0.909 1
1 973 . 25 1 1 A 84 84 ARG HA H 328 3.917 4.072 -0.155 1
1 981 . 25 1 1 A 84 84 ARG C C 328 175.820 176.148 -0.328 1
1 982 . 25 1 1 A 84 84 ARG CA C 328 58.250 58.091 0.159 1
1 983 . 25 1 1 A 84 84 ARG CB C 328 29.985 29.601 0.384 1
1 986 . 25 1 1 A 84 84 ARG N N 328 121.021 117.715 3.306 1
1 988 . 25 1 1 A 85 85 ALA H H 329 7.599 7.984 -0.385 1
1 989 . 25 1 1 A 85 85 ALA HA H 329 4.279 4.476 -0.197 1
1 993 . 25 1 1 A 85 85 ALA C C 329 177.261 177.138 0.123 1
1 994 . 25 1 1 A 85 85 ALA CA C 329 51.905 51.901 0.004 1
1 995 . 25 1 1 A 85 85 ALA CB C 329 19.637 20.193 -0.556 1
1 996 . 25 1 1 A 85 85 ALA N N 329 125.074 121.586 3.488 1
1 997 . 25 1 1 A 86 86 GLY H H 330 7.624 7.149 0.475 1
1 998 . 25 1 1 A 86 86 GLY HA2 H 330 3.806 4.046 -0.240 1
1 999 . 25 1 1 A 86 86 GLY HA3 H 330 4.164 4.047 0.117 1
1 1000 . 25 1 1 A 86 86 GLY C C 330 169.646 170.830 -1.184 1
1 1001 . 25 1 1 A 86 86 GLY CA C 330 46.012 45.669 0.343 1
1 1002 . 25 1 1 A 86 86 GLY N N 330 112.891 103.637 9.254 1
1 1003 . 25 1 1 A 87 87 GLU H H 331 8.213 8.449 -0.236 1
1 1004 . 25 1 1 A 87 87 GLU HA H 331 5.274 5.372 -0.098 1
1 1009 . 25 1 1 A 87 87 GLU C C 331 174.418 174.489 -0.071 1
1 1010 . 25 1 1 A 87 87 GLU CA C 331 54.349 54.845 -0.496 1
1 1011 . 25 1 1 A 87 87 GLU CB C 331 34.615 33.538 1.077 1
1 1013 . 25 1 1 A 87 87 GLU N N 331 123.208 120.095 3.113 1
1 1014 . 25 1 1 A 88 88 ALA H H 332 8.897 8.831 0.066 1
1 1015 . 25 1 1 A 88 88 ALA HA H 332 4.569 4.891 -0.322 1
1 1019 . 25 1 1 A 88 88 ALA C C 332 175.121 174.801 0.320 1
1 1020 . 25 1 1 A 88 88 ALA CA C 332 51.592 50.354 1.238 1
1 1021 . 25 1 1 A 88 88 ALA CB C 332 23.324 23.638 -0.314 1
1 1022 . 25 1 1 A 88 88 ALA N N 332 131.757 125.217 6.540 1
1 1023 . 25 1 1 A 89 89 THR H H 333 8.521 7.900 0.621 1
1 1024 . 25 1 1 A 89 89 THR HA H 333 5.661 4.781 0.880 1
1 1029 . 25 1 1 A 89 89 THR C C 333 173.827 172.922 0.905 1
1 1030 . 25 1 1 A 89 89 THR CA C 333 60.601 60.664 -0.063 1
1 1031 . 25 1 1 A 89 89 THR CB C 333 72.140 71.755 0.385 1
1 1033 . 25 1 1 A 89 89 THR N N 333 121.100 114.070 7.030 1
1 1034 . 25 1 1 A 90 90 PHE H H 334 8.603 8.753 -0.150 1
1 1035 . 25 1 1 A 90 90 PHE HA H 334 4.624 5.443 -0.819 1
1 1043 . 25 1 1 A 90 90 PHE CA C 334 56.618 56.170 0.448 1
1 1044 . 25 1 1 A 90 90 PHE CB C 334 42.489 43.849 -1.360 1
1 1048 . 25 1 1 A 91 91 THR H H 335 8.174 8.985 -0.811 1
1 1049 . 25 1 1 A 91 91 THR HA H 335 5.445 5.258 0.187 1
1 1054 . 25 1 1 A 91 91 THR CA C 335 60.110 61.557 -1.447 1
1 1055 . 25 1 1 A 91 91 THR CB C 335 71.671 72.354 -0.683 1
1 1057 . 25 1 1 A 92 92 VAL H H 336 9.158 8.991 0.167 1
1 1058 . 25 1 1 A 92 92 VAL HA H 336 4.432 4.959 -0.527 1
1 1066 . 25 1 1 A 92 92 VAL C C 336 171.594 173.046 -1.452 1
1 1067 . 25 1 1 A 92 92 VAL CA C 336 60.914 60.469 0.445 1
1 1068 . 25 1 1 A 92 92 VAL CB C 336 35.760 35.795 -0.035 1
1 1071 . 25 1 1 A 92 92 VAL N N 336 130.220 122.426 7.794 1
1 1072 . 25 1 1 A 93 93 GLN H H 337 8.302 8.907 -0.605 1
1 1073 . 25 1 1 A 93 93 GLN HA H 337 4.756 5.315 -0.559 1
1 1080 . 25 1 1 A 93 93 GLN C C 337 174.009 174.090 -0.081 1
1 1081 . 25 1 1 A 93 93 GLN CA C 337 54.672 54.602 0.070 1
1 1082 . 25 1 1 A 93 93 GLN CB C 337 30.071 30.811 -0.740 1
1 1084 . 25 1 1 A 93 93 GLN N N 337 133.412 126.935 6.477 1
1 1086 . 25 1 1 A 94 94 LEU H H 338 8.812 9.274 -0.462 1
1 1087 . 25 1 1 A 94 94 LEU HA H 338 4.836 4.969 -0.133 1
1 1097 . 25 1 1 A 94 94 LEU C C 338 175.099 174.513 0.586 1
1 1098 . 25 1 1 A 94 94 LEU CA C 338 53.725 53.751 -0.026 1
1 1099 . 25 1 1 A 94 94 LEU CB C 338 44.955 44.672 0.283 1
1 1103 . 25 1 1 A 94 94 LEU N N 338 133.816 127.465 6.351 1
1 1104 . 25 1 1 A 95 95 ASP H H 339 8.747 9.216 -0.469 1
1 1105 . 25 1 1 A 95 95 ASP HA H 339 4.871 4.762 0.109 1
1 1108 . 25 1 1 A 95 95 ASP C C 339 174.295 174.720 -0.425 1
1 1109 . 25 1 1 A 95 95 ASP CA C 339 53.311 53.026 0.285 1
1 1110 . 25 1 1 A 95 95 ASP CB C 339 42.895 40.123 2.772 1
1 1111 . 25 1 1 A 95 95 ASP N N 339 134.770 128.730 6.040 1
1 1112 . 25 1 1 A 96 96 VAL H H 340 7.745 7.913 -0.168 1
1 1113 . 25 1 1 A 96 96 VAL HA H 340 4.653 4.047 0.606 1
1 1121 . 25 1 1 A 96 96 VAL C C 340 175.494 175.510 -0.016 1
1 1122 . 25 1 1 A 96 96 VAL CA C 340 60.722 62.977 -2.255 1
1 1123 . 25 1 1 A 96 96 VAL CB C 340 33.852 31.486 2.366 1
1 1126 . 25 1 1 A 96 96 VAL N N 340 128.328 125.237 3.091 1
1 1127 . 25 1 1 A 97 97 LEU H H 341 8.524 8.826 -0.302 1
1 1128 . 25 1 1 A 97 97 LEU HA H 341 4.243 4.610 -0.367 1
1 1138 . 25 1 1 A 97 97 LEU C C 341 176.052 176.399 -0.347 1
1 1139 . 25 1 1 A 97 97 LEU CA C 341 54.086 54.327 -0.241 1
1 1140 . 25 1 1 A 97 97 LEU CB C 341 41.446 41.115 0.331 1
1 1144 . 25 1 1 A 97 97 LEU N N 341 136.554 129.448 7.106 1
1 1145 . 25 1 1 A 98 98 ALA H H 342 8.344 8.640 -0.296 1
1 1146 . 25 1 1 A 98 98 ALA HA H 342 4.227 4.411 -0.184 1
1 1150 . 25 1 1 A 98 98 ALA C C 342 177.569 178.996 -1.427 1
1 1151 . 25 1 1 A 98 98 ALA CA C 342 51.964 52.420 -0.456 1
1 1152 . 25 1 1 A 98 98 ALA CB C 342 19.976 19.056 0.920 1
1 1153 . 25 1 1 A 98 98 ALA N N 342 134.558 128.354 6.204 1
1 1154 . 25 1 1 A 99 99 LYS H H 343 8.552 8.623 -0.071 1
1 1155 . 25 1 1 A 99 99 LYS HA H 343 4.119 4.119 0.000 1
1 1164 . 25 1 1 A 99 99 LYS C C 343 175.859 177.928 -2.069 1
1 1165 . 25 1 1 A 99 99 LYS CA C 343 56.453 58.369 -1.916 1
1 1166 . 25 1 1 A 99 99 LYS CB C 343 33.257 32.087 1.170 1
1 1170 . 25 1 1 A 99 99 LYS N N 343 128.906 121.110 7.796 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 71 0.854 1
2 1 1 1 "RMS(OBS, PRED)" CA 95 0.916 1
3 1 1 1 "RMS(OBS, PRED)" CB 87 1.386 1
4 1 1 1 "RMS(OBS, PRED)" H 88 0.474 1
5 1 1 1 "RMS(OBS, PRED)" HA 100 0.453 1
6 1 1 1 "RMS(OBS, PRED)" N 79 6.999 1
7 1 2 1 "RMS(OBS, PRED)" C 71 0.881 1
8 1 2 1 "RMS(OBS, PRED)" CA 95 0.990 1
9 1 2 1 "RMS(OBS, PRED)" CB 87 1.381 1
10 1 2 1 "RMS(OBS, PRED)" H 88 0.471 1
11 1 2 1 "RMS(OBS, PRED)" HA 100 0.430 1
12 1 2 1 "RMS(OBS, PRED)" N 79 6.598 1
13 1 3 1 "RMS(OBS, PRED)" C 71 0.908 1
14 1 3 1 "RMS(OBS, PRED)" CA 95 1.022 1
15 1 3 1 "RMS(OBS, PRED)" CB 87 1.587 1
16 1 3 1 "RMS(OBS, PRED)" H 88 0.460 1
17 1 3 1 "RMS(OBS, PRED)" HA 100 0.429 1
18 1 3 1 "RMS(OBS, PRED)" N 79 6.824 1
19 1 4 1 "RMS(OBS, PRED)" C 71 0.832 1
20 1 4 1 "RMS(OBS, PRED)" CA 95 0.982 1
21 1 4 1 "RMS(OBS, PRED)" CB 87 1.418 1
22 1 4 1 "RMS(OBS, PRED)" H 88 0.482 1
23 1 4 1 "RMS(OBS, PRED)" HA 100 0.418 1
24 1 4 1 "RMS(OBS, PRED)" N 79 6.732 1
25 1 5 1 "RMS(OBS, PRED)" C 71 0.874 1
26 1 5 1 "RMS(OBS, PRED)" CA 95 1.101 1
27 1 5 1 "RMS(OBS, PRED)" CB 87 1.410 1
28 1 5 1 "RMS(OBS, PRED)" H 88 0.445 1
29 1 5 1 "RMS(OBS, PRED)" HA 100 0.401 1
30 1 5 1 "RMS(OBS, PRED)" N 79 6.537 1
31 1 6 1 "RMS(OBS, PRED)" C 71 0.874 1
32 1 6 1 "RMS(OBS, PRED)" CA 95 1.148 1
33 1 6 1 "RMS(OBS, PRED)" CB 87 1.538 1
34 1 6 1 "RMS(OBS, PRED)" H 88 0.493 1
35 1 6 1 "RMS(OBS, PRED)" HA 100 0.425 1
36 1 6 1 "RMS(OBS, PRED)" N 79 6.683 1
37 1 7 1 "RMS(OBS, PRED)" C 71 0.890 1
38 1 7 1 "RMS(OBS, PRED)" CA 95 1.007 1
39 1 7 1 "RMS(OBS, PRED)" CB 87 1.243 1
40 1 7 1 "RMS(OBS, PRED)" H 88 0.471 1
41 1 7 1 "RMS(OBS, PRED)" HA 100 0.438 1
42 1 7 1 "RMS(OBS, PRED)" N 79 6.710 1
43 1 8 1 "RMS(OBS, PRED)" C 71 0.872 1
44 1 8 1 "RMS(OBS, PRED)" CA 95 1.034 1
45 1 8 1 "RMS(OBS, PRED)" CB 87 1.370 1
46 1 8 1 "RMS(OBS, PRED)" H 88 0.485 1
47 1 8 1 "RMS(OBS, PRED)" HA 100 0.415 1
48 1 8 1 "RMS(OBS, PRED)" N 79 6.681 1
49 1 9 1 "RMS(OBS, PRED)" C 71 0.857 1
50 1 9 1 "RMS(OBS, PRED)" CA 95 1.050 1
51 1 9 1 "RMS(OBS, PRED)" CB 87 1.477 1
52 1 9 1 "RMS(OBS, PRED)" H 88 0.465 1
53 1 9 1 "RMS(OBS, PRED)" HA 100 0.433 1
54 1 9 1 "RMS(OBS, PRED)" N 79 6.613 1
55 1 10 1 "RMS(OBS, PRED)" C 71 0.755 1
56 1 10 1 "RMS(OBS, PRED)" CA 95 1.075 1
57 1 10 1 "RMS(OBS, PRED)" CB 87 1.404 1
58 1 10 1 "RMS(OBS, PRED)" H 88 0.490 1
59 1 10 1 "RMS(OBS, PRED)" HA 100 0.420 1
60 1 10 1 "RMS(OBS, PRED)" N 79 6.621 1
61 1 11 1 "RMS(OBS, PRED)" C 71 0.761 1
62 1 11 1 "RMS(OBS, PRED)" CA 95 0.993 1
63 1 11 1 "RMS(OBS, PRED)" CB 87 1.333 1
64 1 11 1 "RMS(OBS, PRED)" H 88 0.484 1
65 1 11 1 "RMS(OBS, PRED)" HA 100 0.442 1
66 1 11 1 "RMS(OBS, PRED)" N 79 6.514 1
67 1 12 1 "RMS(OBS, PRED)" C 71 0.895 1
68 1 12 1 "RMS(OBS, PRED)" CA 95 1.076 1
69 1 12 1 "RMS(OBS, PRED)" CB 87 1.387 1
70 1 12 1 "RMS(OBS, PRED)" H 88 0.481 1
71 1 12 1 "RMS(OBS, PRED)" HA 100 0.420 1
72 1 12 1 "RMS(OBS, PRED)" N 79 6.716 1
73 1 13 1 "RMS(OBS, PRED)" C 71 0.870 1
74 1 13 1 "RMS(OBS, PRED)" CA 95 1.031 1
75 1 13 1 "RMS(OBS, PRED)" CB 87 1.359 1
76 1 13 1 "RMS(OBS, PRED)" H 88 0.479 1
77 1 13 1 "RMS(OBS, PRED)" HA 100 0.435 1
78 1 13 1 "RMS(OBS, PRED)" N 79 6.671 1
79 1 14 1 "RMS(OBS, PRED)" C 71 0.858 1
80 1 14 1 "RMS(OBS, PRED)" CA 95 1.028 1
81 1 14 1 "RMS(OBS, PRED)" CB 87 1.323 1
82 1 14 1 "RMS(OBS, PRED)" H 88 0.500 1
83 1 14 1 "RMS(OBS, PRED)" HA 100 0.437 1
84 1 14 1 "RMS(OBS, PRED)" N 79 7.053 1
85 1 15 1 "RMS(OBS, PRED)" C 71 0.916 1
86 1 15 1 "RMS(OBS, PRED)" CA 95 1.013 1
87 1 15 1 "RMS(OBS, PRED)" CB 87 1.322 1
88 1 15 1 "RMS(OBS, PRED)" H 88 0.462 1
89 1 15 1 "RMS(OBS, PRED)" HA 100 0.434 1
90 1 15 1 "RMS(OBS, PRED)" N 79 6.732 1
91 1 16 1 "RMS(OBS, PRED)" C 71 0.854 1
92 1 16 1 "RMS(OBS, PRED)" CA 95 1.018 1
93 1 16 1 "RMS(OBS, PRED)" CB 87 1.351 1
94 1 16 1 "RMS(OBS, PRED)" H 88 0.463 1
95 1 16 1 "RMS(OBS, PRED)" HA 100 0.427 1
96 1 16 1 "RMS(OBS, PRED)" N 79 6.719 1
97 1 17 1 "RMS(OBS, PRED)" C 71 0.877 1
98 1 17 1 "RMS(OBS, PRED)" CA 95 1.080 1
99 1 17 1 "RMS(OBS, PRED)" CB 87 1.486 1
100 1 17 1 "RMS(OBS, PRED)" H 88 0.495 1
101 1 17 1 "RMS(OBS, PRED)" HA 100 0.402 1
102 1 17 1 "RMS(OBS, PRED)" N 79 6.708 1
103 1 18 1 "RMS(OBS, PRED)" C 71 0.863 1
104 1 18 1 "RMS(OBS, PRED)" CA 95 1.091 1
105 1 18 1 "RMS(OBS, PRED)" CB 87 1.514 1
106 1 18 1 "RMS(OBS, PRED)" H 88 0.488 1
107 1 18 1 "RMS(OBS, PRED)" HA 100 0.438 1
108 1 18 1 "RMS(OBS, PRED)" N 79 6.639 1
109 1 19 1 "RMS(OBS, PRED)" C 71 0.847 1
110 1 19 1 "RMS(OBS, PRED)" CA 95 1.031 1
111 1 19 1 "RMS(OBS, PRED)" CB 87 1.526 1
112 1 19 1 "RMS(OBS, PRED)" H 88 0.481 1
113 1 19 1 "RMS(OBS, PRED)" HA 100 0.442 1
114 1 19 1 "RMS(OBS, PRED)" N 79 6.843 1
115 1 20 1 "RMS(OBS, PRED)" C 71 0.858 1
116 1 20 1 "RMS(OBS, PRED)" CA 95 0.983 1
117 1 20 1 "RMS(OBS, PRED)" CB 87 1.350 1
118 1 20 1 "RMS(OBS, PRED)" H 88 0.483 1
119 1 20 1 "RMS(OBS, PRED)" HA 100 0.435 1
120 1 20 1 "RMS(OBS, PRED)" N 79 6.641 1
121 1 21 1 "RMS(OBS, PRED)" C 71 0.897 1
122 1 21 1 "RMS(OBS, PRED)" CA 95 1.092 1
123 1 21 1 "RMS(OBS, PRED)" CB 87 1.491 1
124 1 21 1 "RMS(OBS, PRED)" H 88 0.494 1
125 1 21 1 "RMS(OBS, PRED)" HA 100 0.404 1
126 1 21 1 "RMS(OBS, PRED)" N 79 6.645 1
127 1 22 1 "RMS(OBS, PRED)" C 71 0.845 1
128 1 22 1 "RMS(OBS, PRED)" CA 95 1.088 1
129 1 22 1 "RMS(OBS, PRED)" CB 87 1.373 1
130 1 22 1 "RMS(OBS, PRED)" H 88 0.479 1
131 1 22 1 "RMS(OBS, PRED)" HA 100 0.414 1
132 1 22 1 "RMS(OBS, PRED)" N 79 6.672 1
133 1 23 1 "RMS(OBS, PRED)" C 71 0.810 1
134 1 23 1 "RMS(OBS, PRED)" CA 95 1.052 1
135 1 23 1 "RMS(OBS, PRED)" CB 87 1.341 1
136 1 23 1 "RMS(OBS, PRED)" H 88 0.473 1
137 1 23 1 "RMS(OBS, PRED)" HA 100 0.415 1
138 1 23 1 "RMS(OBS, PRED)" N 79 6.794 1
139 1 24 1 "RMS(OBS, PRED)" C 71 0.905 1
140 1 24 1 "RMS(OBS, PRED)" CA 95 1.050 1
141 1 24 1 "RMS(OBS, PRED)" CB 87 1.402 1
142 1 24 1 "RMS(OBS, PRED)" H 88 0.495 1
143 1 24 1 "RMS(OBS, PRED)" HA 100 0.427 1
144 1 24 1 "RMS(OBS, PRED)" N 79 6.688 1
145 1 25 1 "RMS(OBS, PRED)" C 71 0.838 1
146 1 25 1 "RMS(OBS, PRED)" CA 95 1.036 1
147 1 25 1 "RMS(OBS, PRED)" CB 87 1.525 1
148 1 25 1 "RMS(OBS, PRED)" H 88 0.495 1
149 1 25 1 "RMS(OBS, PRED)" HA 100 0.446 1
150 1 25 1 "RMS(OBS, PRED)" N 79 6.954 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 4 . 1 1 A 2 2 ALA HA H -3 4.167 4.401 -0.234 2
1 8 . 1 1 A 2 2 ALA C C -3 177.254 177.060 0.194 2
1 9 . 1 1 A 2 2 ALA CA C -3 52.427 52.192 0.235 2
1 10 . 1 1 A 2 2 ALA CB C -3 19.740 19.859 -0.119 2
1 11 . 1 1 A 3 3 MET H H -2 8.135 8.665 -0.530 2
1 12 . 1 1 A 3 3 MET HA H -2 4.351 4.939 -0.588 2
1 20 . 1 1 A 3 3 MET C C -2 176.007 174.752 1.255 2
1 21 . 1 1 A 3 3 MET CA C -2 55.444 53.721 1.723 2
1 22 . 1 1 A 3 3 MET CB C -2 34.277 35.925 -1.648 2
1 25 . 1 1 A 3 3 MET N N -2 125.628 115.752 9.876 2
1 43 . 1 1 A 6 6 PRO HA H 250 4.591 4.694 -0.103 2
1 50 . 1 1 A 6 6 PRO C C 250 175.444 175.593 -0.149 2
1 51 . 1 1 A 6 6 PRO CA C 250 61.829 62.664 -0.835 2
1 52 . 1 1 A 6 6 PRO CB C 250 32.464 32.672 -0.208 2
1 55 . 1 1 A 7 7 ARG H H 251 7.588 8.757 -1.169 2
1 56 . 1 1 A 7 7 ARG HA H 251 4.078 4.771 -0.693 2
1 64 . 1 1 A 7 7 ARG C C 251 175.065 174.926 0.139 2
1 65 . 1 1 A 7 7 ARG CA C 251 54.552 54.926 -0.374 2
1 66 . 1 1 A 7 7 ARG CB C 251 33.587 34.088 -0.501 2
1 69 . 1 1 A 7 7 ARG N N 251 124.900 121.655 3.245 2
1 71 . 1 1 A 8 8 PHE H H 252 8.893 8.936 -0.043 2
1 72 . 1 1 A 8 8 PHE HA H 252 4.708 4.730 -0.022 2
1 80 . 1 1 A 8 8 PHE CA C 252 59.744 57.897 1.847 2
1 81 . 1 1 A 8 8 PHE CB C 252 39.263 38.205 1.058 2
1 85 . 1 1 A 8 8 PHE N N 252 128.828 122.662 6.166 2
1 86 . 1 1 A 9 9 ILE H H 253 8.223 8.723 -0.500 2
1 87 . 1 1 A 9 9 ILE HA H 253 4.090 4.288 -0.198 2
1 97 . 1 1 A 9 9 ILE C C 253 175.698 175.986 -0.288 2
1 98 . 1 1 A 9 9 ILE CA C 253 61.230 62.449 -1.219 2
1 99 . 1 1 A 9 9 ILE CB C 253 39.165 38.899 0.266 2
1 103 . 1 1 A 9 9 ILE N N 253 128.239 125.128 3.111 2
1 104 . 1 1 A 10 10 GLN H H 254 7.437 7.736 -0.299 2
1 105 . 1 1 A 10 10 GLN HA H 254 4.450 4.659 -0.209 2
1 112 . 1 1 A 10 10 GLN C C 254 174.149 174.377 -0.228 2
1 113 . 1 1 A 10 10 GLN CA C 254 56.197 55.812 0.385 2
1 114 . 1 1 A 10 10 GLN CB C 254 32.367 31.531 0.836 2
1 116 . 1 1 A 10 10 GLN N N 254 127.323 118.261 9.062 2
1 118 . 1 1 A 11 11 VAL H H 255 8.283 8.716 -0.433 2
1 119 . 1 1 A 11 11 VAL HA H 255 4.185 4.539 -0.354 2
1 127 . 1 1 A 11 11 VAL CA C 255 57.931 58.288 -0.357 2
1 128 . 1 1 A 11 11 VAL CB C 255 33.230 33.731 -0.501 2
1 131 . 1 1 A 11 11 VAL N N 255 126.734 120.066 6.668 2
1 132 . 1 1 A 12 12 PRO HA H 256 4.538 4.430 0.108 2
1 139 . 1 1 A 12 12 PRO CA C 256 62.209 62.221 -0.012 2
1 140 . 1 1 A 12 12 PRO CB C 256 31.724 32.057 -0.333 2
1 143 . 1 1 A 13 13 GLU H H 257 7.870 8.482 -0.612 2
1 144 . 1 1 A 13 13 GLU HA H 257 4.257 4.462 -0.205 2
1 149 . 1 1 A 13 13 GLU CA C 257 54.764 56.107 -1.343 2
1 150 . 1 1 A 13 13 GLU CB C 257 31.690 30.585 1.105 2
1 152 . 1 1 A 13 13 GLU N N 257 124.369 120.380 3.989 2
1 153 . 1 1 A 14 14 ASN H H 258 8.133 8.618 -0.485 2
1 154 . 1 1 A 14 14 ASN HA H 258 4.639 4.764 -0.125 2
1 159 . 1 1 A 14 14 ASN CA C 258 54.285 53.512 0.773 2
1 160 . 1 1 A 14 14 ASN CB C 258 38.023 38.724 -0.701 2
1 161 . 1 1 A 14 14 ASN N N 258 123.151 119.954 3.197 2
1 163 . 1 1 A 15 15 MET H H 259 8.295 8.929 -0.634 2
1 164 . 1 1 A 15 15 MET HA H 259 4.695 5.179 -0.484 2
1 172 . 1 1 A 15 15 MET C C 259 174.675 174.493 0.182 2
1 173 . 1 1 A 15 15 MET CA C 259 55.153 54.097 1.056 2
1 174 . 1 1 A 15 15 MET CB C 259 38.064 36.450 1.614 2
1 177 . 1 1 A 15 15 MET N N 259 125.442 121.255 4.187 2
1 178 . 1 1 A 16 16 SER H H 260 8.332 8.817 -0.485 2
1 179 . 1 1 A 16 16 SER HA H 260 5.261 5.479 -0.218 2
1 182 . 1 1 A 16 16 SER C C 260 172.889 173.179 -0.290 2
1 183 . 1 1 A 16 16 SER CA C 260 56.748 57.078 -0.330 2
1 184 . 1 1 A 16 16 SER CB C 260 64.170 65.284 -1.114 2
1 185 . 1 1 A 16 16 SER N N 260 125.417 113.902 11.515 2
1 186 . 1 1 A 17 17 ILE H H 261 8.394 8.855 -0.461 2
1 187 . 1 1 A 17 17 ILE HA H 261 4.366 4.593 -0.227 2
1 197 . 1 1 A 17 17 ILE C C 261 173.465 175.088 -1.623 2
1 198 . 1 1 A 17 17 ILE CA C 261 57.461 60.189 -2.728 2
1 199 . 1 1 A 17 17 ILE CB C 261 41.882 41.372 0.510 2
1 203 . 1 1 A 17 17 ILE N N 261 131.680 125.632 6.048 2
1 204 . 1 1 A 18 18 ASP H H 262 8.043 8.747 -0.704 2
1 205 . 1 1 A 18 18 ASP HA H 262 4.498 4.546 -0.048 2
1 208 . 1 1 A 18 18 ASP C C 262 174.970 175.911 -0.941 2
1 209 . 1 1 A 18 18 ASP CA C 262 54.962 54.706 0.256 2
1 210 . 1 1 A 18 18 ASP CB C 262 41.518 41.013 0.505 2
1 211 . 1 1 A 18 18 ASP N N 262 132.455 127.635 4.820 2
1 212 . 1 1 A 19 19 GLU H H 263 8.058 8.753 -0.695 2
1 213 . 1 1 A 19 19 GLU HA H 263 3.322 3.907 -0.585 2
1 218 . 1 1 A 19 19 GLU C C 263 176.656 177.303 -0.647 2
1 219 . 1 1 A 19 19 GLU CA C 263 58.351 58.289 0.062 2
1 220 . 1 1 A 19 19 GLU CB C 263 29.716 29.315 0.401 2
1 222 . 1 1 A 19 19 GLU N N 263 126.424 124.813 1.611 2
1 223 . 1 1 A 20 20 GLY H H 264 9.131 9.095 0.036 2
1 224 . 1 1 A 20 20 GLY HA2 H 264 3.366 3.989 -0.623 2
1 225 . 1 1 A 20 20 GLY HA3 H 264 4.196 3.992 0.204 2
1 226 . 1 1 A 20 20 GLY C C 264 174.582 174.668 -0.086 2
1 227 . 1 1 A 20 20 GLY CA C 264 44.837 45.029 -0.192 2
1 228 . 1 1 A 20 20 GLY N N 264 119.124 114.985 4.139 2
1 229 . 1 1 A 21 21 ARG H H 265 7.192 7.383 -0.191 2
1 230 . 1 1 A 21 21 ARG HA H 265 4.377 4.427 -0.050 2
1 238 . 1 1 A 21 21 ARG C C 265 174.091 175.789 -1.698 2
1 239 . 1 1 A 21 21 ARG CA C 265 55.263 55.928 -0.665 2
1 240 . 1 1 A 21 21 ARG CB C 265 31.467 31.718 -0.251 2
1 243 . 1 1 A 21 21 ARG N N 265 126.182 120.365 5.817 2
1 245 . 1 1 A 22 22 PHE H H 266 7.699 8.835 -1.136 2
1 246 . 1 1 A 22 22 PHE HA H 266 4.688 4.955 -0.267 2
1 254 . 1 1 A 22 22 PHE C C 266 175.911 174.907 1.004 2
1 255 . 1 1 A 22 22 PHE CA C 266 57.132 59.195 -2.063 2
1 256 . 1 1 A 22 22 PHE CB C 266 41.270 40.073 1.197 2
1 260 . 1 1 A 22 22 PHE N N 266 127.111 122.676 4.435 2
1 261 . 1 1 A 23 23 CYS H H 267 8.140 8.334 -0.194 2
1 262 . 1 1 A 23 23 CYS HA H 267 4.282 5.051 -0.769 2
1 265 . 1 1 A 23 23 CYS C C 267 170.233 172.633 -2.400 2
1 266 . 1 1 A 23 23 CYS CA C 267 57.626 57.148 0.478 2
1 267 . 1 1 A 23 23 CYS CB C 267 30.411 32.166 -1.755 2
1 268 . 1 1 A 23 23 CYS N N 267 130.194 125.223 4.971 2
1 269 . 1 1 A 24 24 ARG H H 268 8.160 8.908 -0.748 2
1 270 . 1 1 A 24 24 ARG HA H 268 5.167 5.235 -0.068 2
1 278 . 1 1 A 24 24 ARG CA C 268 53.910 54.093 -0.183 2
1 279 . 1 1 A 24 24 ARG CB C 268 35.114 34.337 0.777 2
1 283 . 1 1 A 25 25 MET H H 269 8.839 8.779 0.060 2
1 284 . 1 1 A 25 25 MET HA H 269 4.518 5.287 -0.769 2
1 292 . 1 1 A 25 25 MET C C 269 174.090 174.421 -0.331 2
1 293 . 1 1 A 25 25 MET CA C 269 54.960 53.997 0.963 2
1 294 . 1 1 A 25 25 MET CB C 269 35.645 36.728 -1.083 2
1 297 . 1 1 A 25 25 MET N N 269 127.757 119.633 8.124 2
1 298 . 1 1 A 26 26 ASP H H 270 8.473 8.842 -0.369 2
1 299 . 1 1 A 26 26 ASP HA H 270 5.772 5.443 0.329 2
1 302 . 1 1 A 26 26 ASP CA C 270 53.157 53.229 -0.072 2
1 303 . 1 1 A 26 26 ASP CB C 270 43.595 43.217 0.378 2
1 304 . 1 1 A 26 26 ASP N N 270 129.880 120.583 9.297 2
1 305 . 1 1 A 27 27 PHE H H 271 9.180 9.304 -0.124 2
1 306 . 1 1 A 27 27 PHE HA H 271 5.014 5.018 -0.004 2
1 314 . 1 1 A 27 27 PHE CA C 271 55.904 56.309 -0.405 2
1 317 . 1 1 A 27 27 PHE N N 271 123.116 122.660 0.456 2
1 318 . 1 1 A 28 28 LYS H H 272 9.221 8.631 0.590 2
1 327 . 1 1 A 28 28 LYS CA C 272 59.294 56.610 2.684 2
1 328 . 1 1 A 28 28 LYS CB C 272 38.090 32.891 5.199 2
1 332 . 1 1 A 28 28 LYS N N 272 131.321 125.054 6.267 2
1 333 . 1 1 A 29 29 VAL H H 273 8.304 8.683 -0.379 2
1 334 . 1 1 A 29 29 VAL HA H 273 4.331 4.821 -0.490 2
1 342 . 1 1 A 29 29 VAL C C 273 175.240 173.830 1.410 2
1 343 . 1 1 A 29 29 VAL CA C 273 61.020 60.054 0.966 2
1 344 . 1 1 A 29 29 VAL CB C 273 33.889 34.968 -1.079 2
1 347 . 1 1 A 30 30 SER H H 274 8.545 8.748 -0.203 2
1 348 . 1 1 A 30 30 SER HA H 274 4.647 5.006 -0.359 2
1 351 . 1 1 A 30 30 SER C C 274 172.993 173.512 -0.519 2
1 352 . 1 1 A 30 30 SER CA C 274 56.505 57.129 -0.624 2
1 353 . 1 1 A 30 30 SER CB C 274 65.805 65.279 0.526 2
1 354 . 1 1 A 30 30 SER N N 274 129.796 123.184 6.612 2
1 355 . 1 1 A 31 31 GLY H H 275 7.712 8.546 -0.834 2
1 356 . 1 1 A 31 31 GLY HA2 H 275 3.220 4.197 -0.977 2
1 357 . 1 1 A 31 31 GLY HA3 H 275 3.649 4.201 -0.552 2
1 358 . 1 1 A 31 31 GLY C C 275 170.984 171.802 -0.818 2
1 359 . 1 1 A 31 31 GLY CA C 275 45.099 44.582 0.517 2
1 360 . 1 1 A 31 31 GLY N N 275 115.009 111.267 3.742 2
1 361 . 1 1 A 32 32 LEU H H 276 7.668 8.427 -0.759 2
1 362 . 1 1 A 32 32 LEU HA H 276 4.301 4.890 -0.589 2
1 372 . 1 1 A 32 32 LEU C C 276 173.812 174.677 -0.865 2
1 373 . 1 1 A 32 32 LEU CA C 276 52.370 51.503 0.867 2
1 374 . 1 1 A 32 32 LEU CB C 276 45.554 45.886 -0.332 2
1 378 . 1 1 A 32 32 LEU N N 276 129.727 121.236 8.491 2
1 379 . 1 1 A 33 33 PRO HA H 277 4.416 4.620 -0.204 2
1 386 . 1 1 A 33 33 PRO CA C 277 62.576 62.373 0.203 2
1 387 . 1 1 A 33 33 PRO CB C 277 35.012 32.610 2.402 2
1 390 . 1 1 A 34 34 ALA H H 278 8.598 8.331 0.267 2
1 391 . 1 1 A 34 34 ALA HA H 278 4.153 4.308 -0.155 2
1 395 . 1 1 A 34 34 ALA CA C 278 50.822 50.687 0.135 2
1 396 . 1 1 A 34 34 ALA CB C 278 17.462 18.928 -1.466 2
1 397 . 1 1 A 34 34 ALA N N 278 131.518 124.412 7.106 2
1 398 . 1 1 A 35 35 PRO HA H 279 4.206 4.534 -0.328 2
1 405 . 1 1 A 35 35 PRO C C 279 175.701 176.005 -0.304 2
1 406 . 1 1 A 35 35 PRO CA C 279 62.628 62.430 0.198 2
1 407 . 1 1 A 35 35 PRO CB C 279 33.069 32.084 0.985 2
1 410 . 1 1 A 36 36 ASP H H 280 8.621 8.532 0.089 2
1 411 . 1 1 A 36 36 ASP HA H 280 4.659 4.705 -0.046 2
1 414 . 1 1 A 36 36 ASP C C 280 176.057 175.567 0.490 2
1 415 . 1 1 A 36 36 ASP CA C 280 54.307 53.976 0.331 2
1 416 . 1 1 A 36 36 ASP CB C 280 42.741 41.641 1.100 2
1 417 . 1 1 A 36 36 ASP N N 280 127.555 121.890 5.665 2
1 418 . 1 1 A 37 37 VAL H H 281 8.635 8.668 -0.033 2
1 419 . 1 1 A 37 37 VAL HA H 281 4.938 4.856 0.082 2
1 427 . 1 1 A 37 37 VAL CA C 281 61.135 60.473 0.662 2
1 428 . 1 1 A 37 37 VAL CB C 281 34.579 34.168 0.411 2
1 431 . 1 1 A 38 38 SER H H 282 8.591 8.651 -0.060 2
1 432 . 1 1 A 38 38 SER HA H 282 4.518 5.196 -0.678 2
1 435 . 1 1 A 38 38 SER CA C 282 57.540 57.493 0.047 2
1 436 . 1 1 A 38 38 SER CB C 282 66.530 65.365 1.165 2
1 437 . 1 1 A 38 38 SER N N 282 128.264 122.656 5.608 2
1 438 . 1 1 A 39 39 TRP H H 283 8.426 8.723 -0.297 2
1 439 . 1 1 A 39 39 TRP HA H 283 5.297 5.407 -0.110 2
1 448 . 1 1 A 39 39 TRP CA C 283 56.298 56.447 -0.149 2
1 449 . 1 1 A 39 39 TRP CB C 283 33.153 32.308 0.845 2
1 455 . 1 1 A 39 39 TRP N N 283 127.698 125.648 2.050 2
1 456 . 1 1 A 40 40 TYR H H 284 9.373 9.287 0.086 2
1 457 . 1 1 A 40 40 TYR HA H 284 4.903 5.396 -0.493 2
1 464 . 1 1 A 40 40 TYR C C 284 174.148 174.633 -0.485 2
1 465 . 1 1 A 40 40 TYR CA C 284 56.849 56.279 0.570 2
1 466 . 1 1 A 40 40 TYR CB C 284 42.754 43.317 -0.563 2
1 469 . 1 1 A 40 40 TYR N N 284 125.437 119.931 5.506 2
1 470 . 1 1 A 41 41 LEU H H 285 8.898 9.176 -0.278 2
1 471 . 1 1 A 41 41 LEU HA H 285 4.255 4.590 -0.335 2
1 481 . 1 1 A 41 41 LEU C C 285 176.606 175.468 1.138 2
1 482 . 1 1 A 41 41 LEU CA C 285 53.659 53.992 -0.333 2
1 483 . 1 1 A 41 41 LEU CB C 285 43.740 44.770 -1.030 2
1 487 . 1 1 A 41 41 LEU N N 285 129.512 122.602 6.910 2
1 488 . 1 1 A 42 42 ASN H H 286 9.454 9.436 0.018 2
1 489 . 1 1 A 42 42 ASN HA H 286 4.221 4.418 -0.197 2
1 494 . 1 1 A 42 42 ASN C C 286 175.692 175.300 0.392 2
1 495 . 1 1 A 42 42 ASN CA C 286 54.239 54.378 -0.139 2
1 496 . 1 1 A 42 42 ASN CB C 286 37.331 36.950 0.381 2
1 497 . 1 1 A 42 42 ASN N N 286 134.097 126.275 7.822 2
1 499 . 1 1 A 43 43 GLY H H 287 8.709 8.370 0.339 2
1 500 . 1 1 A 43 43 GLY HA2 H 287 3.356 3.983 -0.627 2
1 501 . 1 1 A 43 43 GLY HA3 H 287 3.995 3.990 0.005 2
1 502 . 1 1 A 43 43 GLY C C 287 173.786 174.374 -0.588 2
1 503 . 1 1 A 43 43 GLY CA C 287 45.450 45.113 0.337 2
1 504 . 1 1 A 43 43 GLY N N 287 108.807 105.021 3.786 2
1 505 . 1 1 A 44 44 ARG H H 288 7.902 7.641 0.261 2
1 506 . 1 1 A 44 44 ARG HA H 288 4.697 4.719 -0.022 2
1 514 . 1 1 A 44 44 ARG C C 288 175.799 176.121 -0.322 2
1 515 . 1 1 A 44 44 ARG CA C 288 54.658 54.841 -0.183 2
1 516 . 1 1 A 44 44 ARG CB C 288 32.436 32.047 0.389 2
1 519 . 1 1 A 44 44 ARG N N 288 127.837 119.491 8.346 2
1 521 . 1 1 A 45 45 THR H H 289 8.539 8.641 -0.102 2
1 522 . 1 1 A 45 45 THR HA H 289 3.763 4.279 -0.516 2
1 527 . 1 1 A 45 45 THR C C 289 174.692 174.313 0.379 2
1 528 . 1 1 A 45 45 THR CA C 289 63.977 61.699 2.278 2
1 529 . 1 1 A 45 45 THR CB C 289 69.706 69.890 -0.184 2
1 531 . 1 1 A 45 45 THR N N 289 126.100 113.688 12.412 2
1 532 . 1 1 A 46 46 VAL H H 290 8.033 8.359 -0.326 2
1 533 . 1 1 A 46 46 VAL HA H 290 3.647 4.603 -0.956 2
1 541 . 1 1 A 46 46 VAL C C 290 174.672 175.177 -0.505 2
1 542 . 1 1 A 46 46 VAL CA C 290 62.458 61.157 1.301 2
1 543 . 1 1 A 46 46 VAL CB C 290 32.500 34.593 -2.093 2
1 546 . 1 1 A 46 46 VAL N N 290 134.795 121.393 13.402 2
1 547 . 1 1 A 47 47 GLN H H 291 8.124 8.657 -0.533 2
1 548 . 1 1 A 47 47 GLN HA H 291 4.281 4.486 -0.205 2
1 555 . 1 1 A 47 47 GLN C C 291 175.398 175.549 -0.151 2
1 556 . 1 1 A 47 47 GLN CA C 291 54.235 55.436 -1.201 2
1 557 . 1 1 A 47 47 GLN CB C 291 30.283 30.305 -0.022 2
1 559 . 1 1 A 47 47 GLN N N 291 132.792 126.793 5.999 2
1 561 . 1 1 A 48 48 SER H H 292 8.280 8.541 -0.261 2
1 562 . 1 1 A 48 48 SER HA H 292 4.308 4.511 -0.203 2
1 565 . 1 1 A 48 48 SER C C 292 174.304 173.611 0.693 2
1 566 . 1 1 A 48 48 SER CA C 292 58.222 58.198 0.024 2
1 567 . 1 1 A 48 48 SER CB C 292 63.719 64.164 -0.445 2
1 568 . 1 1 A 48 48 SER N N 292 123.481 116.439 7.042 2
1 569 . 1 1 A 49 49 ASP H H 293 9.050 8.716 0.334 2
1 570 . 1 1 A 49 49 ASP HA H 293 4.482 4.995 -0.513 2
1 573 . 1 1 A 49 49 ASP C C 293 176.099 175.730 0.369 2
1 574 . 1 1 A 49 49 ASP CA C 293 53.668 53.056 0.612 2
1 575 . 1 1 A 49 49 ASP CB C 293 40.100 43.477 -3.377 2
1 576 . 1 1 A 49 49 ASP N N 293 131.157 121.058 10.099 2
1 577 . 1 1 A 50 50 ASP H H 294 8.324 8.858 -0.534 2
1 578 . 1 1 A 50 50 ASP HA H 294 4.167 4.276 -0.109 2
1 581 . 1 1 A 50 50 ASP C C 294 176.520 177.394 -0.874 2
1 582 . 1 1 A 50 50 ASP CA C 294 57.367 57.065 0.302 2
1 583 . 1 1 A 50 50 ASP CB C 294 40.226 40.521 -0.295 2
1 584 . 1 1 A 50 50 ASP N N 294 122.206 122.141 0.065 2
1 585 . 1 1 A 51 51 LEU H H 295 7.749 7.729 0.020 2
1 586 . 1 1 A 51 51 LEU HA H 295 4.281 4.193 0.088 2
1 596 . 1 1 A 51 51 LEU C C 295 175.716 176.403 -0.687 2
1 597 . 1 1 A 51 51 LEU CA C 295 54.407 55.283 -0.876 2
1 598 . 1 1 A 51 51 LEU CB C 295 43.849 42.388 1.461 2
1 602 . 1 1 A 51 51 LEU N N 295 121.836 117.567 4.269 2
1 603 . 1 1 A 52 52 HIS H H 296 7.548 7.556 -0.008 2
1 604 . 1 1 A 52 52 HIS HA H 296 5.091 4.811 0.280 2
1 609 . 1 1 A 52 52 HIS C C 296 172.683 173.807 -1.124 2
1 610 . 1 1 A 52 52 HIS CA C 296 54.900 53.885 1.015 2
1 611 . 1 1 A 52 52 HIS CB C 296 28.894 29.354 -0.460 2
1 614 . 1 1 A 52 52 HIS N N 296 126.326 115.971 10.355 2
1 615 . 1 1 A 53 53 LYS H H 297 8.515 8.518 -0.003 2
1 616 . 1 1 A 53 53 LYS HA H 297 4.608 4.329 0.279 2
1 625 . 1 1 A 53 53 LYS C C 297 174.797 175.629 -0.832 2
1 626 . 1 1 A 53 53 LYS CA C 297 54.303 56.487 -2.184 2
1 627 . 1 1 A 53 53 LYS CB C 297 35.705 33.332 2.373 2
1 631 . 1 1 A 53 53 LYS N N 297 127.067 122.867 4.200 2
1 632 . 1 1 A 54 54 MET H H 298 8.379 8.870 -0.491 2
1 633 . 1 1 A 54 54 MET HA H 298 5.091 5.180 -0.089 2
1 641 . 1 1 A 54 54 MET CA C 298 55.427 54.593 0.834 2
1 642 . 1 1 A 54 54 MET CB C 298 34.100 35.241 -1.141 2
1 645 . 1 1 A 54 54 MET N N 298 128.992 121.283 7.709 2
1 646 . 1 1 A 55 55 ILE H H 299 8.279 8.673 -0.394 2
1 647 . 1 1 A 55 55 ILE HA H 299 4.602 5.216 -0.614 2
1 657 . 1 1 A 55 55 ILE CA C 299 59.130 59.090 0.040 2
1 658 . 1 1 A 55 55 ILE CB C 299 42.747 42.343 0.404 2
1 662 . 1 1 A 56 56 VAL H H 300 9.227 8.752 0.475 2
1 663 . 1 1 A 56 56 VAL HA H 300 4.912 4.859 0.053 2
1 671 . 1 1 A 56 56 VAL CA C 300 59.226 60.567 -1.341 2
1 672 . 1 1 A 56 56 VAL CB C 300 36.406 34.744 1.662 2
1 675 . 1 1 A 57 57 SER H H 301 8.794 8.897 -0.103 2
1 676 . 1 1 A 57 57 SER HA H 301 4.575 4.635 -0.060 2
1 679 . 1 1 A 57 57 SER CA C 301 56.558 58.177 -1.619 2
1 680 . 1 1 A 57 57 SER CB C 301 65.617 64.156 1.461 2
1 681 . 1 1 A 57 57 SER N N 301 128.893 121.966 6.927 2
1 682 . 1 1 A 58 58 GLU HA H 302 4.013 4.068 -0.055 2
1 687 . 1 1 A 58 58 GLU CA C 302 58.165 58.845 -0.680 2
1 688 . 1 1 A 58 58 GLU CB C 302 29.508 29.294 0.214 2
1 690 . 1 1 A 59 59 LYS HA H 303 4.114 4.288 -0.174 2
1 699 . 1 1 A 59 59 LYS C C 303 176.755 176.844 -0.089 2
1 700 . 1 1 A 59 59 LYS CA C 303 55.913 56.016 -0.103 2
1 701 . 1 1 A 59 59 LYS CB C 303 31.679 32.550 -0.871 2
1 705 . 1 1 A 60 60 GLY H H 304 7.813 8.272 -0.459 2
1 706 . 1 1 A 60 60 GLY HA2 H 304 4.037 3.976 0.061 2
1 707 . 1 1 A 60 60 GLY HA3 H 304 3.411 3.981 -0.570 2
1 708 . 1 1 A 60 60 GLY C C 304 173.480 174.025 -0.545 2
1 709 . 1 1 A 60 60 GLY CA C 304 45.955 46.283 -0.328 2
1 710 . 1 1 A 60 60 GLY N N 304 113.597 107.571 6.026 2
1 711 . 1 1 A 61 61 LEU H H 305 7.253 7.522 -0.269 2
1 712 . 1 1 A 61 61 LEU HA H 305 4.396 4.926 -0.530 2
1 722 . 1 1 A 61 61 LEU CA C 305 54.825 54.027 0.798 2
1 723 . 1 1 A 61 61 LEU CB C 305 43.099 44.553 -1.454 2
1 727 . 1 1 A 61 61 LEU N N 305 128.081 121.220 6.861 2
1 728 . 1 1 A 62 62 HIS H H 306 8.294 9.116 -0.822 2
1 733 . 1 1 A 62 62 HIS N N 306 130.344 127.120 3.224 2
1 734 . 1 1 A 63 63 SER HA H 307 5.980 5.126 0.854 2
1 737 . 1 1 A 63 63 SER CA C 307 57.517 57.675 -0.158 2
1 738 . 1 1 A 63 63 SER CB C 307 66.760 65.048 1.712 2
1 739 . 1 1 A 64 64 LEU H H 308 8.827 8.543 0.284 2
1 740 . 1 1 A 64 64 LEU HA H 308 4.657 4.574 0.083 2
1 750 . 1 1 A 64 64 LEU C C 308 174.337 174.632 -0.295 2
1 751 . 1 1 A 64 64 LEU CA C 308 54.386 53.676 0.710 2
1 752 . 1 1 A 64 64 LEU CB C 308 42.678 44.530 -1.852 2
1 756 . 1 1 A 65 65 ILE H H 309 9.009 8.754 0.255 2
1 757 . 1 1 A 65 65 ILE HA H 309 3.880 4.651 -0.771 2
1 767 . 1 1 A 65 65 ILE C C 309 173.963 174.667 -0.704 2
1 768 . 1 1 A 65 65 ILE CA C 309 60.296 59.788 0.508 2
1 769 . 1 1 A 65 65 ILE CB C 309 40.727 40.373 0.354 2
1 773 . 1 1 A 65 65 ILE N N 309 133.046 127.689 5.357 2
1 774 . 1 1 A 66 66 PHE H H 310 8.508 8.777 -0.269 2
1 775 . 1 1 A 66 66 PHE HA H 310 4.367 4.886 -0.519 2
1 783 . 1 1 A 66 66 PHE C C 310 174.555 175.674 -1.119 2
1 784 . 1 1 A 66 66 PHE CA C 310 54.878 55.946 -1.068 2
1 785 . 1 1 A 66 66 PHE CB C 310 38.819 40.216 -1.397 2
1 789 . 1 1 A 66 66 PHE N N 310 132.294 124.603 7.691 2
1 790 . 1 1 A 67 67 GLU H H 311 7.879 8.800 -0.921 2
1 791 . 1 1 A 67 67 GLU HA H 311 4.025 4.421 -0.396 2
1 796 . 1 1 A 67 67 GLU C C 311 177.819 177.186 0.633 2
1 797 . 1 1 A 67 67 GLU CA C 311 59.266 59.196 0.070 2
1 798 . 1 1 A 67 67 GLU CB C 311 30.421 30.601 -0.180 2
1 800 . 1 1 A 67 67 GLU N N 311 127.092 124.015 3.077 2
1 801 . 1 1 A 68 68 VAL H H 312 7.428 7.595 -0.167 2
1 802 . 1 1 A 68 68 VAL HA H 312 3.402 4.481 -1.079 2
1 810 . 1 1 A 68 68 VAL C C 312 173.921 174.154 -0.233 2
1 811 . 1 1 A 68 68 VAL CA C 312 61.444 61.092 0.352 2
1 812 . 1 1 A 68 68 VAL CB C 312 34.790 32.798 1.992 2
1 815 . 1 1 A 68 68 VAL N N 312 120.315 116.818 3.497 2
1 816 . 1 1 A 69 69 VAL H H 313 8.233 8.670 -0.437 2
1 817 . 1 1 A 69 69 VAL HA H 313 3.829 4.233 -0.404 2
1 825 . 1 1 A 69 69 VAL C C 313 175.123 175.046 0.077 2
1 826 . 1 1 A 69 69 VAL CA C 313 63.200 62.676 0.524 2
1 827 . 1 1 A 69 69 VAL CB C 313 32.836 32.529 0.307 2
1 830 . 1 1 A 69 69 VAL N N 313 132.928 128.876 4.052 2
1 831 . 1 1 A 70 70 ARG H H 314 9.259 8.969 0.290 2
1 832 . 1 1 A 70 70 ARG HA H 314 4.776 4.723 0.053 2
1 839 . 1 1 A 70 70 ARG C C 314 177.491 176.720 0.771 2
1 840 . 1 1 A 70 70 ARG CA C 314 53.728 53.986 -0.258 2
1 841 . 1 1 A 70 70 ARG CB C 314 34.282 32.967 1.315 2
1 844 . 1 1 A 70 70 ARG N N 314 133.209 127.544 5.665 2
1 845 . 1 1 A 71 71 ALA H H 315 9.059 8.914 0.145 2
1 846 . 1 1 A 71 71 ALA HA H 315 3.676 4.008 -0.332 2
1 850 . 1 1 A 71 71 ALA C C 315 180.122 179.575 0.547 2
1 851 . 1 1 A 71 71 ALA CA C 315 56.356 55.156 1.200 2
1 852 . 1 1 A 71 71 ALA CB C 315 17.923 18.409 -0.486 2
1 853 . 1 1 A 71 71 ALA N N 315 131.839 124.462 7.377 2
1 854 . 1 1 A 72 72 SER H H 316 7.735 8.074 -0.339 2
1 855 . 1 1 A 72 72 SER HA H 316 4.046 4.218 -0.172 2
1 858 . 1 1 A 72 72 SER C C 316 175.495 174.934 0.561 2
1 859 . 1 1 A 72 72 SER CA C 316 60.037 61.197 -1.160 2
1 860 . 1 1 A 72 72 SER CB C 316 62.381 63.015 -0.634 2
1 861 . 1 1 A 72 72 SER N N 316 115.841 113.237 2.604 2
1 862 . 1 1 A 73 73 ASP H H 317 8.175 7.930 0.245 2
1 863 . 1 1 A 73 73 ASP HA H 317 4.644 4.739 -0.095 2
1 866 . 1 1 A 73 73 ASP C C 317 176.176 176.206 -0.030 2
1 867 . 1 1 A 73 73 ASP CA C 317 55.305 54.842 0.463 2
1 868 . 1 1 A 73 73 ASP CB C 317 42.572 41.396 1.176 2
1 869 . 1 1 A 73 73 ASP N N 317 126.327 119.358 6.969 2
1 870 . 1 1 A 74 74 ALA H H 318 7.339 6.960 0.379 2
1 871 . 1 1 A 74 74 ALA HA H 318 4.013 4.259 -0.246 2
1 875 . 1 1 A 74 74 ALA C C 318 176.813 177.236 -0.423 2
1 876 . 1 1 A 74 74 ALA CA C 318 53.570 53.064 0.506 2
1 877 . 1 1 A 74 74 ALA CB C 318 20.548 20.370 0.178 2
1 878 . 1 1 A 74 74 ALA N N 318 127.859 121.937 5.922 2
1 879 . 1 1 A 75 75 GLY H H 319 8.797 8.758 0.039 2
1 880 . 1 1 A 75 75 GLY HA2 H 319 3.599 4.084 -0.485 2
1 881 . 1 1 A 75 75 GLY HA3 H 319 4.239 4.142 0.097 2
1 882 . 1 1 A 75 75 GLY C C 319 170.102 172.178 -2.076 2
1 883 . 1 1 A 75 75 GLY CA C 319 45.105 44.246 0.859 2
1 884 . 1 1 A 75 75 GLY N N 319 114.261 107.198 7.063 2
1 885 . 1 1 A 76 76 ALA H H 320 7.621 8.085 -0.464 2
1 886 . 1 1 A 76 76 ALA HA H 320 4.521 4.743 -0.222 2
1 890 . 1 1 A 76 76 ALA C C 320 176.291 176.509 -0.218 2
1 891 . 1 1 A 76 76 ALA CA C 320 51.158 51.537 -0.379 2
1 892 . 1 1 A 76 76 ALA CB C 320 19.242 19.386 -0.144 2
1 893 . 1 1 A 76 76 ALA N N 320 129.042 122.905 6.137 2
1 894 . 1 1 A 77 77 TYR H H 321 9.406 8.957 0.449 2
1 895 . 1 1 A 77 77 TYR HA H 321 5.237 5.224 0.013 2
1 903 . 1 1 A 77 77 TYR C C 321 175.676 176.033 -0.357 2
1 904 . 1 1 A 77 77 TYR CA C 321 57.779 58.095 -0.316 2
1 905 . 1 1 A 77 77 TYR CB C 321 40.623 40.084 0.539 2
1 908 . 1 1 A 77 77 TYR N N 321 132.635 124.216 8.419 2
1 909 . 1 1 A 78 78 ALA H H 322 9.084 9.039 0.045 2
1 910 . 1 1 A 78 78 ALA HA H 322 5.031 5.346 -0.315 2
1 914 . 1 1 A 78 78 ALA CA C 322 50.120 51.295 -1.175 2
1 915 . 1 1 A 78 78 ALA CB C 322 21.653 24.094 -2.441 2
1 916 . 1 1 A 78 78 ALA N N 322 130.291 122.424 7.867 2
1 917 . 1 1 A 79 79 CYS H H 323 7.932 8.903 -0.971 2
1 918 . 1 1 A 79 79 CYS HA H 323 4.037 4.805 -0.768 2
1 919 . 1 1 A 79 79 CYS C C 323 173.727 172.916 0.811 2
1 920 . 1 1 A 79 79 CYS CA C 323 56.345 56.976 -0.631 2
1 921 . 1 1 A 80 80 VAL H H 324 8.671 8.874 -0.203 2
1 922 . 1 1 A 80 80 VAL HA H 324 4.596 4.568 0.028 2
1 930 . 1 1 A 80 80 VAL C C 324 174.904 174.690 0.214 2
1 931 . 1 1 A 80 80 VAL CA C 324 60.907 61.270 -0.363 2
1 932 . 1 1 A 80 80 VAL CB C 324 34.334 33.493 0.841 2
1 934 . 1 1 A 80 80 VAL N N 324 135.079 125.758 9.321 2
1 935 . 1 1 A 81 81 ALA H H 325 9.107 8.914 0.193 2
1 936 . 1 1 A 81 81 ALA HA H 325 5.220 5.309 -0.089 2
1 940 . 1 1 A 81 81 ALA C C 325 175.446 176.055 -0.609 2
1 941 . 1 1 A 81 81 ALA CA C 325 49.197 50.441 -1.244 2
1 942 . 1 1 A 81 81 ALA CB C 325 22.479 21.362 1.117 2
1 943 . 1 1 A 81 81 ALA N N 325 136.369 129.661 6.708 2
1 944 . 1 1 A 82 82 LYS H H 326 8.734 8.907 -0.173 2
1 945 . 1 1 A 82 82 LYS HA H 326 5.021 5.169 -0.148 2
1 954 . 1 1 A 82 82 LYS C C 326 175.054 175.278 -0.224 2
1 955 . 1 1 A 82 82 LYS CA C 326 55.451 54.631 0.820 2
1 956 . 1 1 A 82 82 LYS CB C 326 37.852 35.958 1.894 2
1 960 . 1 1 A 82 82 LYS N N 326 128.038 122.736 5.302 2
1 961 . 1 1 A 83 83 ASN H H 327 8.949 8.768 0.181 2
1 962 . 1 1 A 83 83 ASN HA H 327 4.624 5.129 -0.505 2
1 967 . 1 1 A 83 83 ASN C C 327 176.409 175.434 0.975 2
1 968 . 1 1 A 83 83 ASN CA C 327 51.838 51.386 0.452 2
1 969 . 1 1 A 83 83 ASN CB C 327 40.927 39.834 1.093 2
1 970 . 1 1 A 83 83 ASN N N 327 128.769 121.644 7.125 2
1 972 . 1 1 A 84 84 ARG H H 328 8.203 9.126 -0.923 2
1 973 . 1 1 A 84 84 ARG HA H 328 3.917 4.078 -0.161 2
1 981 . 1 1 A 84 84 ARG C C 328 175.820 176.089 -0.269 2
1 982 . 1 1 A 84 84 ARG CA C 328 58.250 58.135 0.115 2
1 983 . 1 1 A 84 84 ARG CB C 328 29.985 29.639 0.346 2
1 986 . 1 1 A 84 84 ARG N N 328 121.021 117.773 3.248 2
1 988 . 1 1 A 85 85 ALA H H 329 7.599 8.053 -0.454 2
1 989 . 1 1 A 85 85 ALA HA H 329 4.279 4.483 -0.204 2
1 993 . 1 1 A 85 85 ALA C C 329 177.261 176.994 0.267 2
1 994 . 1 1 A 85 85 ALA CA C 329 51.905 51.924 -0.019 2
1 995 . 1 1 A 85 85 ALA CB C 329 19.637 20.509 -0.872 2
1 996 . 1 1 A 85 85 ALA N N 329 125.074 121.596 3.478 2
1 997 . 1 1 A 86 86 GLY H H 330 7.624 7.152 0.472 2
1 998 . 1 1 A 86 86 GLY HA2 H 330 3.806 4.054 -0.248 2
1 999 . 1 1 A 86 86 GLY HA3 H 330 4.164 4.058 0.106 2
1 1000 . 1 1 A 86 86 GLY C C 330 169.646 170.881 -1.235 2
1 1001 . 1 1 A 86 86 GLY CA C 330 46.012 45.894 0.118 2
1 1002 . 1 1 A 86 86 GLY N N 330 112.891 103.518 9.373 2
1 1003 . 1 1 A 87 87 GLU H H 331 8.213 8.468 -0.255 2
1 1004 . 1 1 A 87 87 GLU HA H 331 5.274 5.309 -0.035 2
1 1009 . 1 1 A 87 87 GLU C C 331 174.418 174.654 -0.236 2
1 1010 . 1 1 A 87 87 GLU CA C 331 54.349 54.947 -0.598 2
1 1011 . 1 1 A 87 87 GLU CB C 331 34.615 33.540 1.075 2
1 1013 . 1 1 A 87 87 GLU N N 331 123.208 120.188 3.020 2
1 1014 . 1 1 A 88 88 ALA H H 332 8.897 8.835 0.062 2
1 1015 . 1 1 A 88 88 ALA HA H 332 4.569 4.794 -0.225 2
1 1019 . 1 1 A 88 88 ALA C C 332 175.121 174.957 0.164 2
1 1020 . 1 1 A 88 88 ALA CA C 332 51.592 50.311 1.281 2
1 1021 . 1 1 A 88 88 ALA CB C 332 23.324 23.415 -0.091 2
1 1022 . 1 1 A 88 88 ALA N N 332 131.757 125.907 5.850 2
1 1023 . 1 1 A 89 89 THR H H 333 8.521 7.934 0.587 2
1 1024 . 1 1 A 89 89 THR HA H 333 5.661 4.930 0.731 2
1 1029 . 1 1 A 89 89 THR C C 333 173.827 173.059 0.768 2
1 1030 . 1 1 A 89 89 THR CA C 333 60.601 60.874 -0.273 2
1 1031 . 1 1 A 89 89 THR CB C 333 72.140 71.774 0.366 2
1 1033 . 1 1 A 89 89 THR N N 333 121.100 114.167 6.933 2
1 1034 . 1 1 A 90 90 PHE H H 334 8.603 8.822 -0.219 2
1 1035 . 1 1 A 90 90 PHE HA H 334 4.624 5.340 -0.716 2
1 1043 . 1 1 A 90 90 PHE CA C 334 56.618 56.458 0.160 2
1 1044 . 1 1 A 90 90 PHE CB C 334 42.489 43.098 -0.609 2
1 1048 . 1 1 A 91 91 THR H H 335 8.174 8.960 -0.786 2
1 1049 . 1 1 A 91 91 THR HA H 335 5.445 5.259 0.186 2
1 1054 . 1 1 A 91 91 THR CA C 335 60.110 61.505 -1.395 2
1 1055 . 1 1 A 91 91 THR CB C 335 71.671 72.290 -0.619 2
1 1057 . 1 1 A 92 92 VAL H H 336 9.158 8.941 0.217 2
1 1058 . 1 1 A 92 92 VAL HA H 336 4.432 4.935 -0.503 2
1 1066 . 1 1 A 92 92 VAL C C 336 171.594 173.217 -1.623 2
1 1067 . 1 1 A 92 92 VAL CA C 336 60.914 60.184 0.730 2
1 1068 . 1 1 A 92 92 VAL CB C 336 35.760 35.834 -0.074 2
1 1071 . 1 1 A 92 92 VAL N N 336 130.220 122.178 8.042 2
1 1072 . 1 1 A 93 93 GLN H H 337 8.302 8.737 -0.435 2
1 1073 . 1 1 A 93 93 GLN HA H 337 4.756 5.336 -0.580 2
1 1080 . 1 1 A 93 93 GLN C C 337 174.009 173.607 0.402 2
1 1081 . 1 1 A 93 93 GLN CA C 337 54.672 54.400 0.272 2
1 1082 . 1 1 A 93 93 GLN CB C 337 30.071 32.237 -2.166 2
1 1084 . 1 1 A 93 93 GLN N N 337 133.412 126.368 7.044 2
1 1086 . 1 1 A 94 94 LEU H H 338 8.812 9.243 -0.431 2
1 1087 . 1 1 A 94 94 LEU HA H 338 4.836 5.000 -0.164 2
1 1097 . 1 1 A 94 94 LEU C C 338 175.099 174.505 0.594 2
1 1098 . 1 1 A 94 94 LEU CA C 338 53.725 53.823 -0.098 2
1 1099 . 1 1 A 94 94 LEU CB C 338 44.955 45.240 -0.285 2
1 1103 . 1 1 A 94 94 LEU N N 338 133.816 127.499 6.317 2
1 1104 . 1 1 A 95 95 ASP H H 339 8.747 9.174 -0.427 2
1 1105 . 1 1 A 95 95 ASP HA H 339 4.871 4.881 -0.010 2
1 1108 . 1 1 A 95 95 ASP C C 339 174.295 174.901 -0.606 2
1 1109 . 1 1 A 95 95 ASP CA C 339 53.311 53.239 0.072 2
1 1110 . 1 1 A 95 95 ASP CB C 339 42.895 40.749 2.146 2
1 1111 . 1 1 A 95 95 ASP N N 339 134.770 128.141 6.629 2
1 1112 . 1 1 A 96 96 VAL H H 340 7.745 8.227 -0.482 2
1 1113 . 1 1 A 96 96 VAL HA H 340 4.653 4.165 0.488 2
1 1121 . 1 1 A 96 96 VAL C C 340 175.494 175.503 -0.009 2
1 1122 . 1 1 A 96 96 VAL CA C 340 60.722 62.741 -2.019 2
1 1123 . 1 1 A 96 96 VAL CB C 340 33.852 31.859 1.993 2
1 1126 . 1 1 A 96 96 VAL N N 340 128.328 124.722 3.606 2
1 1127 . 1 1 A 97 97 LEU H H 341 8.524 8.867 -0.343 2
1 1128 . 1 1 A 97 97 LEU HA H 341 4.243 4.583 -0.340 2
1 1138 . 1 1 A 97 97 LEU C C 341 176.052 176.476 -0.424 2
1 1139 . 1 1 A 97 97 LEU CA C 341 54.086 54.391 -0.305 2
1 1140 . 1 1 A 97 97 LEU CB C 341 41.446 41.046 0.400 2
1 1144 . 1 1 A 97 97 LEU N N 341 136.554 129.445 7.109 2
1 1145 . 1 1 A 98 98 ALA H H 342 8.344 8.604 -0.260 2
1 1146 . 1 1 A 98 98 ALA HA H 342 4.227 4.334 -0.107 2
1 1150 . 1 1 A 98 98 ALA C C 342 177.569 177.988 -0.419 2
1 1151 . 1 1 A 98 98 ALA CA C 342 51.964 52.579 -0.615 2
1 1152 . 1 1 A 98 98 ALA CB C 342 19.976 19.168 0.808 2
1 1153 . 1 1 A 98 98 ALA N N 342 134.558 128.298 6.260 2
1 1154 . 1 1 A 99 99 LYS H H 343 8.552 8.784 -0.232 2
1 1155 . 1 1 A 99 99 LYS HA H 343 4.119 4.279 -0.160 2
1 1164 . 1 1 A 99 99 LYS C C 343 175.859 177.687 -1.828 2
1 1165 . 1 1 A 99 99 LYS CA C 343 56.453 57.919 -1.466 2
1 1166 . 1 1 A 99 99 LYS CB C 343 33.257 32.840 0.417 2
1 1170 . 1 1 A 99 99 LYS N N 343 128.906 121.555 7.351 2
stop_
save_