data_16384_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16384
_Entry.PDB_ID 2KL5
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 10 10 GLU HA H 10 4.230 4.485 -0.255 1
1 6 . 1 1 1 A 10 10 GLU C C 10 176.100 174.218 1.882 1
1 7 . 1 1 1 A 10 10 GLU CA C 10 56.800 57.510 -0.710 1
1 8 . 1 1 1 A 10 10 GLU CB C 10 30.400 30.767 -0.367 1
1 10 . 1 1 1 A 11 11 ILE H H 11 8.270 7.852 0.418 1
1 11 . 1 1 1 A 11 11 ILE HA H 11 4.100 4.321 -0.221 1
1 21 . 1 1 1 A 11 11 ILE C C 11 173.900 174.776 -0.876 1
1 22 . 1 1 1 A 11 11 ILE CA C 11 60.900 60.846 0.054 1
1 23 . 1 1 1 A 11 11 ILE CB C 11 38.300 39.209 -0.909 1
1 27 . 1 1 1 A 11 11 ILE N N 11 121.800 119.165 2.635 1
1 28 . 1 1 1 A 12 12 MET H H 12 8.150 8.681 -0.531 1
1 29 . 1 1 1 A 12 12 MET HA H 12 5.250 5.350 -0.100 1
1 37 . 1 1 1 A 12 12 MET C C 12 175.500 175.141 0.359 1
1 38 . 1 1 1 A 12 12 MET CA C 12 53.100 53.667 -0.567 1
1 39 . 1 1 1 A 12 12 MET CB C 12 33.600 33.803 -0.203 1
1 42 . 1 1 1 A 12 12 MET N N 12 125.200 125.058 0.142 1
1 43 . 1 1 1 A 13 13 ILE H H 13 9.200 9.482 -0.282 1
1 44 . 1 1 1 A 13 13 ILE HA H 13 4.400 4.730 -0.330 1
1 54 . 1 1 1 A 13 13 ILE C C 13 173.500 174.708 -1.208 1
1 55 . 1 1 1 A 13 13 ILE CA C 13 59.600 60.725 -1.125 1
1 56 . 1 1 1 A 13 13 ILE CB C 13 40.500 39.027 1.473 1
1 60 . 1 1 1 A 13 13 ILE N N 13 123.700 125.967 -2.267 1
1 61 . 1 1 1 A 14 14 LEU H H 14 8.550 9.339 -0.789 1
1 62 . 1 1 1 A 14 14 LEU HA H 14 5.200 5.573 -0.373 1
1 72 . 1 1 1 A 14 14 LEU C C 14 176.100 175.793 0.307 1
1 73 . 1 1 1 A 14 14 LEU CA C 14 53.700 53.669 0.031 1
1 74 . 1 1 1 A 14 14 LEU CB C 14 43.700 42.532 1.168 1
1 78 . 1 1 1 A 14 14 LEU N N 14 128.800 128.809 -0.009 1
1 79 . 1 1 1 A 15 15 ILE H H 15 8.780 8.946 -0.166 1
1 80 . 1 1 1 A 15 15 ILE HA H 15 4.350 4.475 -0.125 1
1 90 . 1 1 1 A 15 15 ILE CA C 15 58.700 59.797 -1.097 1
1 91 . 1 1 1 A 15 15 ILE CB C 15 39.800 40.781 -0.981 1
1 95 . 1 1 1 A 15 15 ILE N N 15 123.000 124.404 -1.404 1
1 96 . 1 1 1 A 16 16 GLN HA H 16 3.710 4.072 -0.362 1
1 100 . 1 1 1 A 16 16 GLN CA C 16 57.700 57.420 0.280 1
1 101 . 1 1 1 A 16 16 GLN CB C 16 26.500 27.079 -0.579 1
1 103 . 1 1 1 A 17 17 ASN HA H 17 4.460 4.220 0.240 1
1 108 . 1 1 1 A 17 17 ASN C C 17 173.300 173.645 -0.345 1
1 109 . 1 1 1 A 17 17 ASN CA C 17 53.900 54.676 -0.776 1
1 110 . 1 1 1 A 17 17 ASN CB C 17 38.100 37.006 1.094 1
1 112 . 1 1 1 A 18 18 ALA H H 18 8.450 7.893 0.557 1
1 113 . 1 1 1 A 18 18 ALA HA H 18 4.250 4.672 -0.422 1
1 117 . 1 1 1 A 18 18 ALA C C 18 174.000 175.322 -1.322 1
1 118 . 1 1 1 A 18 18 ALA CA C 18 51.600 50.181 1.419 1
1 119 . 1 1 1 A 18 18 ALA CB C 18 20.500 21.453 -0.953 1
1 120 . 1 1 1 A 18 18 ALA N N 18 125.200 120.387 4.813 1
1 121 . 1 1 1 A 19 19 GLU H H 19 7.930 8.520 -0.590 1
1 122 . 1 1 1 A 19 19 GLU HA H 19 5.000 4.720 0.280 1
1 127 . 1 1 1 A 19 19 GLU C C 19 174.500 175.241 -0.741 1
1 128 . 1 1 1 A 19 19 GLU CA C 19 54.400 55.084 -0.684 1
1 129 . 1 1 1 A 19 19 GLU CB C 19 32.500 31.318 1.182 1
1 131 . 1 1 1 A 19 19 GLU N N 19 121.700 122.826 -1.126 1
1 132 . 1 1 1 A 20 20 PHE H H 20 9.110 9.022 0.088 1
1 133 . 1 1 1 A 20 20 PHE HA H 20 5.340 5.572 -0.232 1
1 141 . 1 1 1 A 20 20 PHE C C 20 173.900 174.091 -0.191 1
1 142 . 1 1 1 A 20 20 PHE CA C 20 55.800 56.756 -0.956 1
1 143 . 1 1 1 A 20 20 PHE CB C 20 44.800 43.909 0.891 1
1 147 . 1 1 1 A 20 20 PHE N N 20 120.100 125.076 -4.976 1
1 148 . 1 1 1 A 21 21 GLU H H 21 9.200 9.181 0.019 1
1 149 . 1 1 1 A 21 21 GLU HA H 21 5.040 5.009 0.031 1
1 154 . 1 1 1 A 21 21 GLU C C 21 176.200 174.803 1.397 1
1 155 . 1 1 1 A 21 21 GLU CA C 21 53.700 54.757 -1.057 1
1 156 . 1 1 1 A 21 21 GLU CB C 21 33.600 33.054 0.546 1
1 158 . 1 1 1 A 21 21 GLU N N 21 120.800 119.197 1.603 1
1 159 . 1 1 1 A 22 22 LEU H H 22 8.590 8.797 -0.207 1
1 160 . 1 1 1 A 22 22 LEU HA H 22 4.420 4.286 0.134 1
1 170 . 1 1 1 A 22 22 LEU C C 22 175.200 177.008 -1.808 1
1 171 . 1 1 1 A 22 22 LEU CA C 22 54.900 54.730 0.170 1
1 172 . 1 1 1 A 22 22 LEU CB C 22 41.000 41.536 -0.536 1
1 176 . 1 1 1 A 22 22 LEU N N 22 127.900 126.354 1.546 1
1 177 . 1 1 1 A 23 23 VAL H H 23 8.350 8.752 -0.402 1
1 178 . 1 1 1 A 23 23 VAL HA H 23 4.460 4.271 0.189 1
1 186 . 1 1 1 A 23 23 VAL C C 23 175.500 175.809 -0.309 1
1 187 . 1 1 1 A 23 23 VAL CA C 23 62.100 63.434 -1.334 1
1 188 . 1 1 1 A 23 23 VAL CB C 23 32.600 32.683 -0.083 1
1 191 . 1 1 1 A 23 23 VAL N N 23 122.700 122.587 0.113 1
1 192 . 1 1 1 A 24 24 HIS H H 24 7.590 7.325 0.265 1
1 193 . 1 1 1 A 24 24 HIS HA H 24 4.750 4.905 -0.155 1
1 197 . 1 1 1 A 24 24 HIS CA C 24 56.800 55.310 1.490 1
1 198 . 1 1 1 A 24 24 HIS CB C 24 34.800 33.204 1.596 1
1 200 . 1 1 1 A 24 24 HIS N N 24 118.300 120.608 -2.308 1
1 201 . 1 1 1 A 25 25 ASN HA H 25 5.070 5.314 -0.244 1
1 206 . 1 1 1 A 25 25 ASN C C 25 172.500 173.229 -0.729 1
1 207 . 1 1 1 A 25 25 ASN CA C 25 52.000 52.372 -0.372 1
1 208 . 1 1 1 A 25 25 ASN CB C 25 40.400 41.742 -1.342 1
1 210 . 1 1 1 A 26 26 PHE H H 26 9.000 9.026 -0.026 1
1 211 . 1 1 1 A 26 26 PHE HA H 26 4.540 4.840 -0.300 1
1 219 . 1 1 1 A 26 26 PHE C C 26 174.500 175.035 -0.535 1
1 220 . 1 1 1 A 26 26 PHE CA C 26 57.100 57.241 -0.141 1
1 221 . 1 1 1 A 26 26 PHE CB C 26 40.900 42.015 -1.115 1
1 225 . 1 1 1 A 26 26 PHE N N 26 128.200 127.032 1.168 1
1 226 . 1 1 1 A 27 27 LYS H H 27 8.700 9.164 -0.464 1
1 227 . 1 1 1 A 27 27 LYS HA H 27 3.290 3.719 -0.429 1
1 236 . 1 1 1 A 27 27 LYS C C 27 174.500 174.882 -0.382 1
1 237 . 1 1 1 A 27 27 LYS CA C 27 56.800 56.936 -0.136 1
1 238 . 1 1 1 A 27 27 LYS CB C 27 29.500 30.766 -1.266 1
1 242 . 1 1 1 A 27 27 LYS N N 27 126.000 126.630 -0.630 1
1 243 . 1 1 1 A 28 28 ASP H H 28 8.560 8.460 0.100 1
1 244 . 1 1 1 A 28 28 ASP HA H 28 4.080 4.353 -0.273 1
1 247 . 1 1 1 A 28 28 ASP C C 28 174.700 176.797 -2.097 1
1 248 . 1 1 1 A 28 28 ASP CA C 28 54.800 55.606 -0.806 1
1 249 . 1 1 1 A 28 28 ASP CB C 28 39.100 38.974 0.126 1
1 250 . 1 1 1 A 28 28 ASP N N 28 112.300 112.714 -0.414 1
1 251 . 1 1 1 A 29 29 GLY H H 29 7.160 7.708 -0.548 1
1 252 . 1 1 1 A 29 29 GLY HA2 H 29 3.490 3.861 -0.371 1
1 253 . 1 1 1 A 29 29 GLY HA3 H 29 3.780 4.185 -0.405 1
1 254 . 1 1 1 A 29 29 GLY C C 29 174.800 174.565 0.235 1
1 255 . 1 1 1 A 29 29 GLY CA C 29 47.600 46.192 1.408 1
1 256 . 1 1 1 A 29 29 GLY N N 29 101.900 105.374 -3.474 1
1 257 . 1 1 1 A 30 30 PHE H H 30 9.400 7.458 1.942 1
1 258 . 1 1 1 A 30 30 PHE HA H 30 3.380 3.666 -0.286 1
1 266 . 1 1 1 A 30 30 PHE CA C 30 60.700 56.462 4.238 1
1 267 . 1 1 1 A 30 30 PHE CB C 30 37.700 38.388 -0.688 1
1 271 . 1 1 1 A 30 30 PHE N N 30 120.800 121.275 -0.475 1
1 272 . 1 1 1 A 31 31 ASN H H 31 5.090 7.975 -2.885 1
1 273 . 1 1 1 A 31 31 ASN HA H 31 4.220 4.713 -0.493 1
1 276 . 1 1 1 A 31 31 ASN CA C 31 52.400 51.251 1.149 1
1 277 . 1 1 1 A 31 31 ASN CB C 31 41.100 39.338 1.762 1
1 278 . 1 1 1 A 31 31 ASN N N 31 125.400 126.484 -1.084 1
1 279 . 1 1 1 A 32 32 GLU HA H 32 3.290 3.321 -0.031 1
1 284 . 1 1 1 A 32 32 GLU C C 32 176.900 177.967 -1.067 1
1 285 . 1 1 1 A 32 32 GLU CA C 32 60.600 59.803 0.797 1
1 286 . 1 1 1 A 32 32 GLU CB C 32 29.500 29.220 0.280 1
1 288 . 1 1 1 A 33 33 GLU H H 33 8.320 8.277 0.043 1
1 289 . 1 1 1 A 33 33 GLU HA H 33 3.880 4.055 -0.175 1
1 294 . 1 1 1 A 33 33 GLU C C 33 179.300 179.064 0.236 1
1 295 . 1 1 1 A 33 33 GLU CA C 33 59.600 59.410 0.190 1
1 296 . 1 1 1 A 33 33 GLU CB C 33 28.700 29.344 -0.644 1
1 298 . 1 1 1 A 33 33 GLU N N 33 119.000 117.673 1.327 1
1 299 . 1 1 1 A 34 34 ALA H H 34 8.330 7.769 0.561 1
1 300 . 1 1 1 A 34 34 ALA HA H 34 4.130 4.110 0.020 1
1 304 . 1 1 1 A 34 34 ALA C C 34 179.600 179.442 0.158 1
1 305 . 1 1 1 A 34 34 ALA CA C 34 54.400 55.041 -0.641 1
1 306 . 1 1 1 A 34 34 ALA CB C 34 18.400 18.567 -0.167 1
1 307 . 1 1 1 A 34 34 ALA N N 34 122.200 122.170 0.030 1
1 308 . 1 1 1 A 35 35 PHE H H 35 8.040 8.413 -0.373 1
1 309 . 1 1 1 A 35 35 PHE HA H 35 4.020 4.128 -0.108 1
1 317 . 1 1 1 A 35 35 PHE C C 35 176.100 177.617 -1.517 1
1 318 . 1 1 1 A 35 35 PHE CA C 35 61.000 61.460 -0.460 1
1 319 . 1 1 1 A 35 35 PHE CB C 35 39.000 39.479 -0.479 1
1 323 . 1 1 1 A 35 35 PHE N N 35 117.100 119.743 -2.643 1
1 324 . 1 1 1 A 36 36 LYS H H 36 8.490 8.420 0.070 1
1 325 . 1 1 1 A 36 36 LYS HA H 36 3.320 3.877 -0.557 1
1 334 . 1 1 1 A 36 36 LYS C C 36 178.000 178.189 -0.189 1
1 335 . 1 1 1 A 36 36 LYS CA C 36 59.800 58.652 1.148 1
1 336 . 1 1 1 A 36 36 LYS CB C 36 32.100 31.373 0.727 1
1 340 . 1 1 1 A 36 36 LYS N N 36 118.100 118.147 -0.047 1
1 341 . 1 1 1 A 37 37 ALA H H 37 7.450 7.725 -0.275 1
1 342 . 1 1 1 A 37 37 ALA HA H 37 4.130 4.115 0.015 1
1 346 . 1 1 1 A 37 37 ALA C C 37 178.500 178.428 0.072 1
1 347 . 1 1 1 A 37 37 ALA CA C 37 53.600 54.545 -0.945 1
1 348 . 1 1 1 A 37 37 ALA CB C 37 18.500 18.422 0.078 1
1 349 . 1 1 1 A 37 37 ALA N N 37 117.700 122.032 -4.332 1
1 350 . 1 1 1 A 38 38 ARG H H 38 7.160 7.396 -0.236 1
1 351 . 1 1 1 A 38 38 ARG HA H 38 4.340 4.273 0.067 1
1 358 . 1 1 1 A 38 38 ARG C C 38 175.400 175.751 -0.351 1
1 359 . 1 1 1 A 38 38 ARG CA C 38 54.200 56.191 -1.991 1
1 360 . 1 1 1 A 38 38 ARG CB C 38 31.400 30.672 0.728 1
1 363 . 1 1 1 A 38 38 ARG N N 38 114.800 115.007 -0.207 1
1 364 . 1 1 1 A 39 39 TYR H H 39 7.510 7.374 0.136 1
1 365 . 1 1 1 A 39 39 TYR HA H 39 3.350 4.146 -0.796 1
1 372 . 1 1 1 A 39 39 TYR C C 39 173.700 175.077 -1.377 1
1 373 . 1 1 1 A 39 39 TYR CA C 39 60.800 59.342 1.458 1
1 374 . 1 1 1 A 39 39 TYR CB C 39 38.000 38.926 -0.926 1
1 377 . 1 1 1 A 39 39 TYR N N 39 122.600 122.539 0.061 1
1 378 . 1 1 1 A 40 40 SER H H 40 5.730 7.711 -1.981 1
1 379 . 1 1 1 A 40 40 SER HA H 40 4.470 4.881 -0.411 1
1 382 . 1 1 1 A 40 40 SER CA C 40 56.100 55.802 0.298 1
1 383 . 1 1 1 A 40 40 SER CB C 40 65.100 65.400 -0.300 1
1 384 . 1 1 1 A 40 40 SER N N 40 119.100 121.326 -2.226 1
1 385 . 1 1 1 A 41 41 ASP HA H 41 4.210 4.248 -0.038 1
1 388 . 1 1 1 A 41 41 ASP CA C 41 56.700 57.590 -0.890 1
1 389 . 1 1 1 A 41 41 ASP CB C 41 40.500 40.554 -0.054 1
1 390 . 1 1 1 A 42 42 ILE HA H 42 4.030 3.836 0.194 1
1 400 . 1 1 1 A 42 42 ILE C C 42 176.600 177.975 -1.375 1
1 401 . 1 1 1 A 42 42 ILE CA C 42 63.200 63.032 0.168 1
1 402 . 1 1 1 A 42 42 ILE CB C 42 37.600 37.510 0.090 1
1 406 . 1 1 1 A 43 43 LEU H H 43 7.700 7.815 -0.115 1
1 407 . 1 1 1 A 43 43 LEU HA H 43 4.560 4.332 0.228 1
1 417 . 1 1 1 A 43 43 LEU C C 43 178.000 179.528 -1.528 1
1 418 . 1 1 1 A 43 43 LEU CA C 43 54.700 57.572 -2.872 1
1 419 . 1 1 1 A 43 43 LEU CB C 43 40.800 40.879 -0.079 1
1 423 . 1 1 1 A 43 43 LEU N N 43 117.500 120.538 -3.038 1
1 424 . 1 1 1 A 44 44 ASN H H 44 7.870 8.121 -0.251 1
1 425 . 1 1 1 A 44 44 ASN HA H 44 4.480 4.829 -0.349 1
1 428 . 1 1 1 A 44 44 ASN CA C 44 55.300 55.904 -0.604 1
1 429 . 1 1 1 A 44 44 ASN CB C 44 38.200 39.448 -1.248 1
1 430 . 1 1 1 A 44 44 ASN N N 44 118.400 118.176 0.224 1
1 431 . 1 1 1 A 45 45 LYS HA H 45 4.200 4.111 0.089 1
1 440 . 1 1 1 A 45 45 LYS C C 45 176.200 178.528 -2.328 1
1 441 . 1 1 1 A 45 45 LYS CA C 45 56.500 58.806 -2.306 1
1 442 . 1 1 1 A 45 45 LYS CB C 45 32.000 31.833 0.167 1
1 446 . 1 1 1 A 46 46 TYR H H 46 6.770 7.600 -0.830 1
1 447 . 1 1 1 A 46 46 TYR HA H 46 3.900 4.427 -0.527 1
1 454 . 1 1 1 A 46 46 TYR C C 46 175.500 175.334 0.166 1
1 455 . 1 1 1 A 46 46 TYR CA C 46 59.200 59.345 -0.145 1
1 456 . 1 1 1 A 46 46 TYR CB C 46 38.700 38.644 0.056 1
1 459 . 1 1 1 A 46 46 TYR N N 46 117.400 117.618 -0.218 1
1 460 . 1 1 1 A 47 47 ASP H H 47 7.540 8.403 -0.863 1
1 461 . 1 1 1 A 47 47 ASP HA H 47 4.880 4.281 0.599 1
1 464 . 1 1 1 A 47 47 ASP C C 47 175.100 174.180 0.920 1
1 465 . 1 1 1 A 47 47 ASP CA C 47 56.100 55.601 0.499 1
1 466 . 1 1 1 A 47 47 ASP CB C 47 43.100 40.510 2.590 1
1 467 . 1 1 1 A 47 47 ASP N N 47 118.300 119.611 -1.311 1
1 468 . 1 1 1 A 48 48 TYR H H 48 8.640 8.162 0.478 1
1 469 . 1 1 1 A 48 48 TYR HA H 48 5.670 5.383 0.287 1
1 476 . 1 1 1 A 48 48 TYR C C 48 174.700 174.961 -0.261 1
1 477 . 1 1 1 A 48 48 TYR CA C 48 55.900 56.729 -0.829 1
1 478 . 1 1 1 A 48 48 TYR CB C 48 43.500 42.421 1.079 1
1 481 . 1 1 1 A 48 48 TYR N N 48 116.700 119.031 -2.331 1
1 482 . 1 1 1 A 49 49 ILE H H 49 9.130 9.459 -0.329 1
1 483 . 1 1 1 A 49 49 ILE HA H 49 4.660 4.807 -0.147 1
1 493 . 1 1 1 A 49 49 ILE C C 49 173.900 175.055 -1.155 1
1 494 . 1 1 1 A 49 49 ILE CA C 49 59.400 59.979 -0.579 1
1 495 . 1 1 1 A 49 49 ILE CB C 49 40.700 39.810 0.890 1
1 499 . 1 1 1 A 49 49 ILE N N 49 119.500 124.266 -4.766 1
1 500 . 1 1 1 A 50 50 VAL H H 50 9.220 8.927 0.293 1
1 501 . 1 1 1 A 50 50 VAL HA H 50 4.860 4.878 -0.018 1
1 509 . 1 1 1 A 50 50 VAL C C 50 175.200 175.387 -0.187 1
1 510 . 1 1 1 A 50 50 VAL CA C 50 60.100 60.822 -0.722 1
1 511 . 1 1 1 A 50 50 VAL CB C 50 33.400 33.589 -0.189 1
1 514 . 1 1 1 A 50 50 VAL N N 50 128.600 129.499 -0.899 1
1 515 . 1 1 1 A 51 51 GLY H H 51 7.860 8.854 -0.994 1
1 516 . 1 1 1 A 51 51 GLY HA2 H 51 5.420 3.371 2.049 1
1 517 . 1 1 1 A 51 51 GLY HA3 H 51 2.080 3.994 -1.914 1
1 518 . 1 1 1 A 51 51 GLY C C 51 170.700 171.817 -1.117 1
1 519 . 1 1 1 A 51 51 GLY CA C 51 43.600 44.146 -0.546 1
1 520 . 1 1 1 A 51 51 GLY N N 51 116.100 115.286 0.814 1
1 521 . 1 1 1 A 52 52 ASP H H 52 8.940 8.867 0.073 1
1 522 . 1 1 1 A 52 52 ASP HA H 52 5.540 5.605 -0.065 1
1 525 . 1 1 1 A 52 52 ASP C C 52 174.200 176.057 -1.857 1
1 526 . 1 1 1 A 52 52 ASP CA C 52 53.000 52.140 0.860 1
1 527 . 1 1 1 A 52 52 ASP CB C 52 47.100 44.458 2.642 1
1 528 . 1 1 1 A 52 52 ASP N N 52 121.200 121.406 -0.206 1
1 529 . 1 1 1 A 53 53 TRP H H 53 7.980 8.695 -0.715 1
1 530 . 1 1 1 A 53 53 TRP HA H 53 4.950 4.911 0.039 1
1 539 . 1 1 1 A 53 53 TRP C C 53 178.500 176.907 1.593 1
1 540 . 1 1 1 A 53 53 TRP CA C 53 56.200 56.991 -0.791 1
1 541 . 1 1 1 A 53 53 TRP CB C 53 28.500 29.192 -0.692 1
1 547 . 1 1 1 A 53 53 TRP N N 53 119.900 121.395 -1.495 1
1 549 . 1 1 1 A 54 54 GLY H H 54 10.320 8.062 2.258 1
1 550 . 1 1 1 A 54 54 GLY HA2 H 54 4.020 4.004 0.016 1
1 551 . 1 1 1 A 54 54 GLY HA3 H 54 4.020 4.009 0.011 1
1 552 . 1 1 1 A 54 54 GLY CA C 54 48.600 46.581 2.019 1
1 553 . 1 1 1 A 54 54 GLY N N 54 115.400 108.381 7.019 1
1 554 . 1 1 1 A 55 55 TYR HA H 55 4.890 4.257 0.633 1
1 561 . 1 1 1 A 55 55 TYR CA C 55 56.800 59.126 -2.326 1
1 562 . 1 1 1 A 55 55 TYR CB C 55 38.100 37.610 0.490 1
1 565 . 1 1 1 A 56 56 GLY HA2 H 56 3.850 3.875 -0.025 1
1 566 . 1 1 1 A 56 56 GLY HA3 H 56 4.360 4.019 0.341 1
1 567 . 1 1 1 A 56 56 GLY C C 56 173.100 174.293 -1.193 1
1 568 . 1 1 1 A 56 56 GLY CA C 56 45.600 45.460 0.140 1
1 569 . 1 1 1 A 57 57 GLN H H 57 7.380 7.765 -0.385 1
1 570 . 1 1 1 A 57 57 GLN HA H 57 4.660 4.383 0.277 1
1 576 . 1 1 1 A 57 57 GLN C C 57 173.800 175.358 -1.558 1
1 577 . 1 1 1 A 57 57 GLN CA C 57 53.400 56.014 -2.614 1
1 578 . 1 1 1 A 57 57 GLN CB C 57 31.600 28.979 2.621 1
1 580 . 1 1 1 A 57 57 GLN N N 57 116.300 120.811 -4.511 1
1 582 . 1 1 1 A 58 58 LEU H H 58 8.100 8.302 -0.202 1
1 583 . 1 1 1 A 58 58 LEU HA H 58 3.250 4.225 -0.975 1
1 593 . 1 1 1 A 58 58 LEU C C 58 174.200 175.260 -1.060 1
1 594 . 1 1 1 A 58 58 LEU CA C 58 55.500 55.767 -0.267 1
1 595 . 1 1 1 A 58 58 LEU CB C 58 39.900 41.814 -1.914 1
1 599 . 1 1 1 A 58 58 LEU N N 58 124.400 128.370 -3.970 1
1 600 . 1 1 1 A 59 59 ARG H H 59 8.360 8.897 -0.537 1
1 601 . 1 1 1 A 59 59 ARG HA H 59 4.470 4.759 -0.289 1
1 608 . 1 1 1 A 59 59 ARG C C 59 174.000 174.948 -0.948 1
1 609 . 1 1 1 A 59 59 ARG CA C 59 54.200 54.715 -0.515 1
1 610 . 1 1 1 A 59 59 ARG CB C 59 33.000 32.682 0.318 1
1 613 . 1 1 1 A 59 59 ARG N N 59 130.500 126.126 4.374 1
1 614 . 1 1 1 A 60 60 LEU H H 60 8.480 9.185 -0.705 1
1 615 . 1 1 1 A 60 60 LEU HA H 60 5.260 5.109 0.151 1
1 625 . 1 1 1 A 60 60 LEU C C 60 176.000 174.899 1.101 1
1 626 . 1 1 1 A 60 60 LEU CA C 60 52.500 54.020 -1.520 1
1 627 . 1 1 1 A 60 60 LEU CB C 60 44.200 42.062 2.138 1
1 631 . 1 1 1 A 60 60 LEU N N 60 122.400 125.429 -3.029 1
1 632 . 1 1 1 A 61 61 LYS H H 61 8.900 9.237 -0.337 1
1 633 . 1 1 1 A 61 61 LYS HA H 61 4.160 4.740 -0.580 1
1 642 . 1 1 1 A 61 61 LYS C C 61 174.200 175.283 -1.083 1
1 643 . 1 1 1 A 61 61 LYS CA C 61 54.800 53.984 0.816 1
1 644 . 1 1 1 A 61 61 LYS CB C 61 36.600 35.177 1.423 1
1 648 . 1 1 1 A 61 61 LYS N N 61 123.800 126.115 -2.315 1
1 649 . 1 1 1 A 62 62 GLY H H 62 8.140 8.497 -0.357 1
1 650 . 1 1 1 A 62 62 GLY HA2 H 62 4.160 3.125 1.035 1
1 651 . 1 1 1 A 62 62 GLY HA3 H 62 4.160 3.865 0.295 1
1 652 . 1 1 1 A 62 62 GLY C C 62 172.000 171.960 0.040 1
1 653 . 1 1 1 A 62 62 GLY CA C 62 43.000 43.937 -0.937 1
1 654 . 1 1 1 A 62 62 GLY N N 62 114.000 112.684 1.316 1
1 655 . 1 1 1 A 63 63 PHE H H 63 8.500 8.437 0.063 1
1 656 . 1 1 1 A 63 63 PHE HA H 63 4.800 4.968 -0.168 1
1 664 . 1 1 1 A 63 63 PHE C C 63 175.400 174.674 0.726 1
1 665 . 1 1 1 A 63 63 PHE CA C 63 55.800 56.125 -0.325 1
1 666 . 1 1 1 A 63 63 PHE CB C 63 46.200 43.464 2.736 1
1 670 . 1 1 1 A 63 63 PHE N N 63 118.600 121.182 -2.582 1
1 671 . 1 1 1 A 64 64 PHE H H 64 9.930 8.944 0.986 1
1 672 . 1 1 1 A 64 64 PHE HA H 64 5.460 5.167 0.293 1
1 679 . 1 1 1 A 64 64 PHE C C 64 175.600 174.971 0.629 1
1 680 . 1 1 1 A 64 64 PHE CA C 64 57.500 57.529 -0.029 1
1 681 . 1 1 1 A 64 64 PHE CB C 64 43.100 41.917 1.183 1
1 684 . 1 1 1 A 64 64 PHE N N 64 120.100 119.198 0.902 1
1 685 . 1 1 1 A 65 65 ASP H H 65 10.950 8.783 2.167 1
1 686 . 1 1 1 A 65 65 ASP HA H 65 4.860 4.764 0.096 1
1 689 . 1 1 1 A 65 65 ASP C C 65 177.400 176.117 1.283 1
1 690 . 1 1 1 A 65 65 ASP CA C 65 56.400 54.914 1.486 1
1 691 . 1 1 1 A 65 65 ASP CB C 65 42.800 40.847 1.953 1
1 692 . 1 1 1 A 65 65 ASP N N 65 123.200 121.307 1.893 1
1 693 . 1 1 1 A 66 66 ASP H H 66 8.470 8.931 -0.461 1
1 694 . 1 1 1 A 66 66 ASP HA H 66 4.110 4.621 -0.511 1
1 697 . 1 1 1 A 66 66 ASP C C 66 175.300 176.645 -1.345 1
1 698 . 1 1 1 A 66 66 ASP CA C 66 57.800 56.459 1.341 1
1 699 . 1 1 1 A 66 66 ASP CB C 66 42.000 41.752 0.248 1
1 700 . 1 1 1 A 66 66 ASP N N 66 122.800 123.630 -0.830 1
1 701 . 1 1 1 A 67 67 GLN H H 67 8.500 7.750 0.750 1
1 702 . 1 1 1 A 67 67 GLN HA H 67 4.250 4.460 -0.210 1
1 707 . 1 1 1 A 67 67 GLN C C 67 175.900 175.525 0.375 1
1 708 . 1 1 1 A 67 67 GLN CA C 67 55.400 56.143 -0.743 1
1 709 . 1 1 1 A 67 67 GLN CB C 67 28.300 29.312 -1.012 1
1 711 . 1 1 1 A 68 68 ASN H H 68 7.880 8.575 -0.695 1
1 712 . 1 1 1 A 68 68 ASN HA H 68 4.430 4.975 -0.545 1
1 714 . 1 1 1 A 68 68 ASN CA C 68 53.300 52.770 0.530 1
1 715 . 1 1 1 A 68 68 ASN CB C 68 39.300 40.072 -0.772 1
1 716 . 1 1 1 A 68 68 ASN N N 68 121.500 120.499 1.001 1
1 722 . 1 1 1 A 73 73 PHE HA H 73 4.190 4.780 -0.590 1
1 730 . 1 1 1 A 73 73 PHE CA C 73 61.300 55.918 5.382 1
1 731 . 1 1 1 A 73 73 PHE CB C 73 38.600 36.291 2.309 1
1 735 . 1 1 1 A 74 74 GLU HA H 74 4.290 3.962 0.328 1
1 738 . 1 1 1 A 74 74 GLU CA C 74 56.800 59.582 -2.782 1
1 739 . 1 1 1 A 74 74 GLU CB C 74 29.900 29.695 0.205 1
1 741 . 1 1 1 A 75 75 THR HA H 75 4.180 4.590 -0.410 1
1 746 . 1 1 1 A 75 75 THR C C 75 174.100 174.472 -0.372 1
1 747 . 1 1 1 A 75 75 THR CA C 75 60.700 62.669 -1.969 1
1 748 . 1 1 1 A 75 75 THR CB C 75 69.800 69.478 0.322 1
1 750 . 1 1 1 A 76 76 LYS HA H 76 3.880 4.566 -0.686 1
1 759 . 1 1 1 A 76 76 LYS CA C 76 55.900 55.994 -0.094 1
1 760 . 1 1 1 A 76 76 LYS CB C 76 32.100 33.695 -1.595 1
1 764 . 1 1 1 A 77 77 ILE H H 77 9.060 8.728 0.332 1
1 765 . 1 1 1 A 77 77 ILE HA H 77 3.850 4.370 -0.520 1
1 775 . 1 1 1 A 77 77 ILE C C 77 175.900 176.068 -0.168 1
1 776 . 1 1 1 A 77 77 ILE CA C 77 59.600 60.262 -0.662 1
1 777 . 1 1 1 A 77 77 ILE CB C 77 38.400 38.861 -0.461 1
1 781 . 1 1 1 A 77 77 ILE N N 77 126.900 124.863 2.037 1
1 782 . 1 1 1 A 78 78 SER H H 78 8.730 8.897 -0.167 1
1 783 . 1 1 1 A 78 78 SER HA H 78 4.140 4.069 0.071 1
1 786 . 1 1 1 A 78 78 SER C C 78 176.200 175.954 0.246 1
1 787 . 1 1 1 A 78 78 SER CA C 78 60.800 60.849 -0.049 1
1 788 . 1 1 1 A 78 78 SER CB C 78 61.200 62.858 -1.658 1
1 789 . 1 1 1 A 78 78 SER N N 78 119.000 124.088 -5.088 1
1 790 . 1 1 1 A 79 79 THR H H 79 8.050 7.045 1.005 1
1 791 . 1 1 1 A 79 79 THR HA H 79 4.580 4.064 0.516 1
1 796 . 1 1 1 A 79 79 THR C C 79 174.400 176.081 -1.681 1
1 797 . 1 1 1 A 79 79 THR CA C 79 62.200 64.139 -1.939 1
1 798 . 1 1 1 A 79 79 THR CB C 79 69.300 68.711 0.589 1
1 800 . 1 1 1 A 79 79 THR N N 79 114.300 115.428 -1.128 1
1 801 . 1 1 1 A 80 80 LEU H H 80 7.470 7.770 -0.300 1
1 802 . 1 1 1 A 80 80 LEU HA H 80 3.580 3.669 -0.089 1
1 812 . 1 1 1 A 80 80 LEU C C 80 176.500 178.093 -1.593 1
1 813 . 1 1 1 A 80 80 LEU CA C 80 58.400 57.829 0.571 1
1 814 . 1 1 1 A 80 80 LEU CB C 80 41.800 41.458 0.342 1
1 818 . 1 1 1 A 80 80 LEU N N 80 123.200 121.314 1.886 1
1 819 . 1 1 1 A 81 81 ASP H H 81 8.450 8.483 -0.033 1
1 820 . 1 1 1 A 81 81 ASP HA H 81 4.060 4.240 -0.180 1
1 823 . 1 1 1 A 81 81 ASP C C 81 178.700 179.206 -0.506 1
1 824 . 1 1 1 A 81 81 ASP CA C 81 57.600 57.392 0.208 1
1 825 . 1 1 1 A 81 81 ASP CB C 81 39.500 39.979 -0.479 1
1 826 . 1 1 1 A 81 81 ASP N N 81 116.000 117.341 -1.341 1
1 827 . 1 1 1 A 82 82 GLU H H 82 7.800 8.230 -0.430 1
1 828 . 1 1 1 A 82 82 GLU HA H 82 4.030 4.081 -0.051 1
1 833 . 1 1 1 A 82 82 GLU C C 82 178.500 178.343 0.157 1
1 834 . 1 1 1 A 82 82 GLU CA C 82 59.100 58.996 0.104 1
1 835 . 1 1 1 A 82 82 GLU CB C 82 29.300 29.573 -0.273 1
1 837 . 1 1 1 A 82 82 GLU N N 82 120.400 119.266 1.134 1
1 838 . 1 1 1 A 83 83 TYR H H 83 8.190 7.586 0.604 1
1 839 . 1 1 1 A 83 83 TYR HA H 83 4.410 4.382 0.028 1
1 846 . 1 1 1 A 83 83 TYR C C 83 176.700 177.464 -0.764 1
1 847 . 1 1 1 A 83 83 TYR CA C 83 60.900 61.524 -0.624 1
1 848 . 1 1 1 A 83 83 TYR CB C 83 37.600 38.544 -0.944 1
1 851 . 1 1 1 A 83 83 TYR N N 83 122.900 121.942 0.958 1
1 852 . 1 1 1 A 84 84 ILE H H 84 8.400 8.760 -0.360 1
1 853 . 1 1 1 A 84 84 ILE HA H 84 3.240 3.497 -0.257 1
1 863 . 1 1 1 A 84 84 ILE C C 84 178.000 177.369 0.631 1
1 864 . 1 1 1 A 84 84 ILE CA C 84 60.800 65.684 -4.884 1
1 865 . 1 1 1 A 84 84 ILE CB C 84 35.500 37.654 -2.154 1
1 869 . 1 1 1 A 84 84 ILE N N 84 119.100 120.906 -1.806 1
1 870 . 1 1 1 A 85 85 TYR H H 85 7.820 8.338 -0.518 1
1 871 . 1 1 1 A 85 85 TYR HA H 85 3.910 4.081 -0.171 1
1 878 . 1 1 1 A 85 85 TYR C C 85 176.800 178.083 -1.283 1
1 879 . 1 1 1 A 85 85 TYR CA C 85 60.700 61.163 -0.463 1
1 880 . 1 1 1 A 85 85 TYR CB C 85 37.900 38.662 -0.762 1
1 883 . 1 1 1 A 85 85 TYR N N 85 119.100 120.800 -1.700 1
1 884 . 1 1 1 A 86 86 GLU H H 86 7.660 8.190 -0.530 1
1 885 . 1 1 1 A 86 86 GLU HA H 86 3.690 3.983 -0.293 1
1 890 . 1 1 1 A 86 86 GLU C C 86 177.900 177.252 0.648 1
1 891 . 1 1 1 A 86 86 GLU CA C 86 58.200 58.859 -0.659 1
1 892 . 1 1 1 A 86 86 GLU CB C 86 29.500 29.322 0.178 1
1 894 . 1 1 1 A 86 86 GLU N N 86 116.700 118.028 -1.328 1
1 895 . 1 1 1 A 87 87 TYR H H 87 8.010 7.390 0.620 1
1 896 . 1 1 1 A 87 87 TYR HA H 87 4.090 4.375 -0.285 1
1 903 . 1 1 1 A 87 87 TYR C C 87 176.000 176.459 -0.459 1
1 904 . 1 1 1 A 87 87 TYR CA C 87 60.100 59.651 0.449 1
1 905 . 1 1 1 A 87 87 TYR CB C 87 37.300 39.496 -2.196 1
1 908 . 1 1 1 A 87 87 TYR N N 87 114.900 114.789 0.111 1
1 909 . 1 1 1 A 88 88 CYS H H 88 8.300 7.829 0.471 1
1 910 . 1 1 1 A 88 88 CYS HA H 88 4.760 4.672 0.088 1
1 913 . 1 1 1 A 88 88 CYS CA C 88 53.500 55.097 -1.597 1
1 914 . 1 1 1 A 88 88 CYS CB C 88 42.000 41.101 0.899 1
1 915 . 1 1 1 A 88 88 CYS N N 88 119.700 116.052 3.648 1
1 916 . 1 1 1 A 89 89 ASN C C 89 176.500 174.930 1.570 1
1 917 . 1 1 1 A 90 90 PHE HA H 90 4.590 4.286 0.304 1
1 925 . 1 1 1 A 90 90 PHE CA C 90 57.400 59.594 -2.194 1
1 926 . 1 1 1 A 90 90 PHE CB C 90 38.200 38.817 -0.617 1
1 930 . 1 1 1 A 92 92 CYS HA H 92 4.660 4.919 -0.259 1
1 933 . 1 1 1 A 92 92 CYS C C 92 172.000 172.031 -0.031 1
1 934 . 1 1 1 A 92 92 CYS CA C 92 55.000 55.562 -0.562 1
1 935 . 1 1 1 A 92 92 CYS CB C 92 47.400 45.526 1.874 1
1 936 . 1 1 1 A 93 93 ALA H H 93 8.670 8.975 -0.305 1
1 937 . 1 1 1 A 93 93 ALA HA H 93 4.520 5.359 -0.839 1
1 941 . 1 1 1 A 93 93 ALA C C 93 177.400 175.879 1.521 1
1 942 . 1 1 1 A 93 93 ALA CA C 93 52.400 51.051 1.349 1
1 943 . 1 1 1 A 93 93 ALA CB C 93 19.800 23.496 -3.696 1
1 944 . 1 1 1 A 93 93 ALA N N 93 126.000 125.015 0.985 1
1 945 . 1 1 1 A 94 94 TYR H H 94 8.460 9.134 -0.674 1
1 946 . 1 1 1 A 94 94 TYR HA H 94 5.570 5.722 -0.152 1
1 953 . 1 1 1 A 94 94 TYR C C 94 171.500 173.589 -2.089 1
1 954 . 1 1 1 A 94 94 TYR CA C 94 57.200 56.217 0.983 1
1 955 . 1 1 1 A 94 94 TYR CB C 94 39.800 41.380 -1.580 1
1 958 . 1 1 1 A 94 94 TYR N N 94 116.200 117.226 -1.026 1
1 959 . 1 1 1 A 95 95 PHE H H 95 9.220 9.241 -0.021 1
1 960 . 1 1 1 A 95 95 PHE HA H 95 5.280 5.731 -0.451 1
1 967 . 1 1 1 A 95 95 PHE C C 95 172.900 172.838 0.062 1
1 968 . 1 1 1 A 95 95 PHE CA C 95 55.200 55.851 -0.651 1
1 969 . 1 1 1 A 95 95 PHE CB C 95 42.400 42.853 -0.453 1
1 972 . 1 1 1 A 95 95 PHE N N 95 114.100 116.768 -2.668 1
1 973 . 1 1 1 A 96 96 VAL H H 96 9.130 8.952 0.178 1
1 974 . 1 1 1 A 96 96 VAL HA H 96 4.860 4.994 -0.134 1
1 982 . 1 1 1 A 96 96 VAL C C 96 174.800 174.679 0.121 1
1 983 . 1 1 1 A 96 96 VAL CA C 96 61.400 61.322 0.078 1
1 984 . 1 1 1 A 96 96 VAL CB C 96 35.100 34.766 0.334 1
1 987 . 1 1 1 A 96 96 VAL N N 96 118.400 120.490 -2.090 1
1 988 . 1 1 1 A 97 97 LEU H H 97 9.610 9.472 0.138 1
1 989 . 1 1 1 A 97 97 LEU HA H 97 5.380 5.471 -0.091 1
1 999 . 1 1 1 A 97 97 LEU C C 97 175.700 175.373 0.327 1
1 1000 . 1 1 1 A 97 97 LEU CA C 97 52.100 53.077 -0.977 1
1 1001 . 1 1 1 A 97 97 LEU CB C 97 44.500 44.435 0.065 1
1 1005 . 1 1 1 A 97 97 LEU N N 97 126.100 127.193 -1.093 1
1 1006 . 1 1 1 A 98 98 LYS H H 98 9.660 9.157 0.503 1
1 1007 . 1 1 1 A 98 98 LYS HA H 98 4.740 5.010 -0.270 1
1 1016 . 1 1 1 A 98 98 LYS C C 98 175.500 175.490 0.010 1
1 1017 . 1 1 1 A 98 98 LYS CA C 98 54.400 54.586 -0.186 1
1 1018 . 1 1 1 A 98 98 LYS CB C 98 37.500 35.270 2.230 1
1 1022 . 1 1 1 A 98 98 LYS N N 98 123.900 124.902 -1.002 1
1 1023 . 1 1 1 A 99 99 ARG H H 99 8.400 8.644 -0.244 1
1 1024 . 1 1 1 A 99 99 ARG HA H 99 4.040 4.506 -0.466 1
1 1031 . 1 1 1 A 99 99 ARG C C 99 174.800 175.993 -1.193 1
1 1032 . 1 1 1 A 99 99 ARG CA C 99 55.500 55.913 -0.413 1
1 1033 . 1 1 1 A 99 99 ARG CB C 99 30.000 31.289 -1.289 1
1 1036 . 1 1 1 A 99 99 ARG N N 99 128.700 127.747 0.953 1
1 1037 . 1 1 1 A 100 100 ILE H H 100 8.660 8.907 -0.247 1
1 1038 . 1 1 1 A 100 100 ILE HA H 100 4.150 4.113 0.037 1
1 1048 . 1 1 1 A 100 100 ILE CA C 100 59.100 61.239 -2.139 1
1 1049 . 1 1 1 A 100 100 ILE CB C 100 36.300 38.094 -1.794 1
1 1053 . 1 1 1 A 100 100 ILE N N 100 130.500 127.058 3.442 1
1 1054 . 1 1 1 A 101 101 ARG C C 101 177.000 175.278 1.722 1
1 1055 . 1 1 1 A 102 102 LYS C C 102 178.900 174.232 4.668 1
1 1056 . 1 1 1 A 103 103 LEU HA H 103 4.230 4.874 -0.644 1
1 1066 . 1 1 1 A 103 103 LEU CA C 103 54.900 54.371 0.529 1
1 1067 . 1 1 1 A 103 103 LEU CB C 103 42.100 45.335 -3.235 1
1 1071 . 1 1 1 A 104 104 GLU HA H 104 4.010 4.852 -0.842 1
1 1075 . 1 1 1 A 104 104 GLU CA C 104 58.300 54.945 3.355 1
1 1076 . 1 1 1 A 104 104 GLU CB C 104 28.300 30.706 -2.406 1
1 1 . 2 1 1 A 10 10 GLU HA H 10 4.230 4.188 0.042 1
1 6 . 2 1 1 A 10 10 GLU C C 10 176.100 176.302 -0.202 1
1 7 . 2 1 1 A 10 10 GLU CA C 10 56.800 58.691 -1.891 1
1 8 . 2 1 1 A 10 10 GLU CB C 10 30.400 30.492 -0.092 1
1 10 . 2 1 1 A 11 11 ILE H H 11 8.270 8.266 0.004 1
1 11 . 2 1 1 A 11 11 ILE HA H 11 4.100 4.186 -0.086 1
1 21 . 2 1 1 A 11 11 ILE C C 11 173.900 174.277 -0.377 1
1 22 . 2 1 1 A 11 11 ILE CA C 11 60.900 60.882 0.018 1
1 23 . 2 1 1 A 11 11 ILE CB C 11 38.300 38.490 -0.190 1
1 27 . 2 1 1 A 11 11 ILE N N 11 121.800 119.026 2.774 1
1 28 . 2 1 1 A 12 12 MET H H 12 8.150 8.775 -0.625 1
1 29 . 2 1 1 A 12 12 MET HA H 12 5.250 5.613 -0.363 1
1 37 . 2 1 1 A 12 12 MET C C 12 175.500 175.306 0.194 1
1 38 . 2 1 1 A 12 12 MET CA C 12 53.100 53.438 -0.338 1
1 39 . 2 1 1 A 12 12 MET CB C 12 33.600 34.021 -0.421 1
1 42 . 2 1 1 A 12 12 MET N N 12 125.200 125.872 -0.672 1
1 43 . 2 1 1 A 13 13 ILE H H 13 9.200 9.570 -0.370 1
1 44 . 2 1 1 A 13 13 ILE HA H 13 4.400 4.849 -0.449 1
1 54 . 2 1 1 A 13 13 ILE C C 13 173.500 174.654 -1.154 1
1 55 . 2 1 1 A 13 13 ILE CA C 13 59.600 60.189 -0.589 1
1 56 . 2 1 1 A 13 13 ILE CB C 13 40.500 39.481 1.019 1
1 60 . 2 1 1 A 13 13 ILE N N 13 123.700 124.770 -1.070 1
1 61 . 2 1 1 A 14 14 LEU H H 14 8.550 9.308 -0.758 1
1 62 . 2 1 1 A 14 14 LEU HA H 14 5.200 5.485 -0.285 1
1 72 . 2 1 1 A 14 14 LEU C C 14 176.100 175.851 0.249 1
1 73 . 2 1 1 A 14 14 LEU CA C 14 53.700 53.545 0.155 1
1 74 . 2 1 1 A 14 14 LEU CB C 14 43.700 42.902 0.798 1
1 78 . 2 1 1 A 14 14 LEU N N 14 128.800 128.220 0.580 1
1 79 . 2 1 1 A 15 15 ILE H H 15 8.780 9.201 -0.421 1
1 80 . 2 1 1 A 15 15 ILE HA H 15 4.350 4.500 -0.150 1
1 90 . 2 1 1 A 15 15 ILE CA C 15 58.700 60.318 -1.618 1
1 91 . 2 1 1 A 15 15 ILE CB C 15 39.800 41.103 -1.303 1
1 95 . 2 1 1 A 15 15 ILE N N 15 123.000 123.903 -0.903 1
1 96 . 2 1 1 A 16 16 GLN HA H 16 3.710 4.091 -0.381 1
1 100 . 2 1 1 A 16 16 GLN CA C 16 57.700 57.440 0.260 1
1 101 . 2 1 1 A 16 16 GLN CB C 16 26.500 27.046 -0.546 1
1 103 . 2 1 1 A 17 17 ASN HA H 17 4.460 4.230 0.230 1
1 108 . 2 1 1 A 17 17 ASN C C 17 173.300 173.643 -0.343 1
1 109 . 2 1 1 A 17 17 ASN CA C 17 53.900 54.719 -0.819 1
1 110 . 2 1 1 A 17 17 ASN CB C 17 38.100 37.263 0.837 1
1 112 . 2 1 1 A 18 18 ALA H H 18 8.450 7.947 0.503 1
1 113 . 2 1 1 A 18 18 ALA HA H 18 4.250 4.685 -0.435 1
1 117 . 2 1 1 A 18 18 ALA C C 18 174.000 175.013 -1.013 1
1 118 . 2 1 1 A 18 18 ALA CA C 18 51.600 50.159 1.441 1
1 119 . 2 1 1 A 18 18 ALA CB C 18 20.500 21.967 -1.467 1
1 120 . 2 1 1 A 18 18 ALA N N 18 125.200 120.173 5.027 1
1 121 . 2 1 1 A 19 19 GLU H H 19 7.930 8.649 -0.719 1
1 122 . 2 1 1 A 19 19 GLU HA H 19 5.000 5.340 -0.340 1
1 127 . 2 1 1 A 19 19 GLU C C 19 174.500 174.864 -0.364 1
1 128 . 2 1 1 A 19 19 GLU CA C 19 54.400 54.977 -0.577 1
1 129 . 2 1 1 A 19 19 GLU CB C 19 32.500 32.991 -0.491 1
1 131 . 2 1 1 A 19 19 GLU N N 19 121.700 122.555 -0.855 1
1 132 . 2 1 1 A 20 20 PHE H H 20 9.110 9.206 -0.096 1
1 133 . 2 1 1 A 20 20 PHE HA H 20 5.340 5.423 -0.083 1
1 141 . 2 1 1 A 20 20 PHE C C 20 173.900 174.249 -0.349 1
1 142 . 2 1 1 A 20 20 PHE CA C 20 55.800 56.640 -0.840 1
1 143 . 2 1 1 A 20 20 PHE CB C 20 44.800 43.883 0.917 1
1 147 . 2 1 1 A 20 20 PHE N N 20 120.100 123.984 -3.884 1
1 148 . 2 1 1 A 21 21 GLU H H 21 9.200 8.985 0.215 1
1 149 . 2 1 1 A 21 21 GLU HA H 21 5.040 5.296 -0.256 1
1 154 . 2 1 1 A 21 21 GLU C C 21 176.200 175.020 1.180 1
1 155 . 2 1 1 A 21 21 GLU CA C 21 53.700 54.761 -1.061 1
1 156 . 2 1 1 A 21 21 GLU CB C 21 33.600 33.076 0.524 1
1 158 . 2 1 1 A 21 21 GLU N N 21 120.800 119.246 1.554 1
1 159 . 2 1 1 A 22 22 LEU H H 22 8.590 8.612 -0.022 1
1 160 . 2 1 1 A 22 22 LEU HA H 22 4.420 4.469 -0.049 1
1 170 . 2 1 1 A 22 22 LEU C C 22 175.200 176.846 -1.646 1
1 171 . 2 1 1 A 22 22 LEU CA C 22 54.900 54.524 0.376 1
1 172 . 2 1 1 A 22 22 LEU CB C 22 41.000 41.796 -0.796 1
1 176 . 2 1 1 A 22 22 LEU N N 22 127.900 125.713 2.187 1
1 177 . 2 1 1 A 23 23 VAL H H 23 8.350 8.655 -0.305 1
1 178 . 2 1 1 A 23 23 VAL HA H 23 4.460 4.281 0.179 1
1 186 . 2 1 1 A 23 23 VAL C C 23 175.500 175.775 -0.275 1
1 187 . 2 1 1 A 23 23 VAL CA C 23 62.100 62.936 -0.836 1
1 188 . 2 1 1 A 23 23 VAL CB C 23 32.600 32.774 -0.174 1
1 191 . 2 1 1 A 23 23 VAL N N 23 122.700 122.190 0.510 1
1 192 . 2 1 1 A 24 24 HIS H H 24 7.590 7.188 0.402 1
1 193 . 2 1 1 A 24 24 HIS HA H 24 4.750 4.875 -0.125 1
1 197 . 2 1 1 A 24 24 HIS CA C 24 56.800 55.491 1.309 1
1 198 . 2 1 1 A 24 24 HIS CB C 24 34.800 33.049 1.751 1
1 200 . 2 1 1 A 24 24 HIS N N 24 118.300 120.686 -2.386 1
1 201 . 2 1 1 A 25 25 ASN HA H 25 5.070 5.030 0.040 1
1 206 . 2 1 1 A 25 25 ASN C C 25 172.500 173.337 -0.837 1
1 207 . 2 1 1 A 25 25 ASN CA C 25 52.000 52.570 -0.570 1
1 208 . 2 1 1 A 25 25 ASN CB C 25 40.400 40.557 -0.157 1
1 210 . 2 1 1 A 26 26 PHE H H 26 9.000 8.797 0.203 1
1 211 . 2 1 1 A 26 26 PHE HA H 26 4.540 4.474 0.066 1
1 219 . 2 1 1 A 26 26 PHE C C 26 174.500 175.037 -0.537 1
1 220 . 2 1 1 A 26 26 PHE CA C 26 57.100 57.567 -0.467 1
1 221 . 2 1 1 A 26 26 PHE CB C 26 40.900 39.700 1.200 1
1 225 . 2 1 1 A 26 26 PHE N N 26 128.200 128.045 0.155 1
1 226 . 2 1 1 A 27 27 LYS H H 27 8.700 9.232 -0.532 1
1 227 . 2 1 1 A 27 27 LYS HA H 27 3.290 3.711 -0.421 1
1 236 . 2 1 1 A 27 27 LYS C C 27 174.500 175.611 -1.111 1
1 237 . 2 1 1 A 27 27 LYS CA C 27 56.800 57.281 -0.481 1
1 238 . 2 1 1 A 27 27 LYS CB C 27 29.500 29.829 -0.329 1
1 242 . 2 1 1 A 27 27 LYS N N 27 126.000 127.278 -1.278 1
1 243 . 2 1 1 A 28 28 ASP H H 28 8.560 8.418 0.142 1
1 244 . 2 1 1 A 28 28 ASP HA H 28 4.080 4.347 -0.267 1
1 247 . 2 1 1 A 28 28 ASP C C 28 174.700 177.140 -2.440 1
1 248 . 2 1 1 A 28 28 ASP CA C 28 54.800 55.591 -0.791 1
1 249 . 2 1 1 A 28 28 ASP CB C 28 39.100 38.857 0.243 1
1 250 . 2 1 1 A 28 28 ASP N N 28 112.300 111.277 1.023 1
1 251 . 2 1 1 A 29 29 GLY H H 29 7.160 7.800 -0.640 1
1 252 . 2 1 1 A 29 29 GLY HA2 H 29 3.490 4.064 -0.574 1
1 253 . 2 1 1 A 29 29 GLY HA3 H 29 3.780 4.330 -0.550 1
1 254 . 2 1 1 A 29 29 GLY C C 29 174.800 174.786 0.014 1
1 255 . 2 1 1 A 29 29 GLY CA C 29 47.600 46.392 1.208 1
1 256 . 2 1 1 A 29 29 GLY N N 29 101.900 106.365 -4.465 1
1 257 . 2 1 1 A 30 30 PHE H H 30 9.400 7.840 1.560 1
1 258 . 2 1 1 A 30 30 PHE HA H 30 3.380 3.685 -0.305 1
1 266 . 2 1 1 A 30 30 PHE CA C 30 60.700 58.040 2.660 1
1 267 . 2 1 1 A 30 30 PHE CB C 30 37.700 38.940 -1.240 1
1 271 . 2 1 1 A 30 30 PHE N N 30 120.800 121.617 -0.817 1
1 272 . 2 1 1 A 31 31 ASN H H 31 5.090 8.015 -2.925 1
1 273 . 2 1 1 A 31 31 ASN HA H 31 4.220 4.913 -0.693 1
1 276 . 2 1 1 A 31 31 ASN CA C 31 52.400 51.353 1.047 1
1 277 . 2 1 1 A 31 31 ASN CB C 31 41.100 39.914 1.186 1
1 278 . 2 1 1 A 31 31 ASN N N 31 125.400 125.439 -0.039 1
1 279 . 2 1 1 A 32 32 GLU HA H 32 3.290 3.452 -0.162 1
1 284 . 2 1 1 A 32 32 GLU C C 32 176.900 178.021 -1.121 1
1 285 . 2 1 1 A 32 32 GLU CA C 32 60.600 59.453 1.147 1
1 286 . 2 1 1 A 32 32 GLU CB C 32 29.500 29.358 0.142 1
1 288 . 2 1 1 A 33 33 GLU H H 33 8.320 8.336 -0.016 1
1 289 . 2 1 1 A 33 33 GLU HA H 33 3.880 4.080 -0.200 1
1 294 . 2 1 1 A 33 33 GLU C C 33 179.300 178.627 0.673 1
1 295 . 2 1 1 A 33 33 GLU CA C 33 59.600 59.226 0.374 1
1 296 . 2 1 1 A 33 33 GLU CB C 33 28.700 29.337 -0.637 1
1 298 . 2 1 1 A 33 33 GLU N N 33 119.000 117.546 1.454 1
1 299 . 2 1 1 A 34 34 ALA H H 34 8.330 7.550 0.780 1
1 300 . 2 1 1 A 34 34 ALA HA H 34 4.130 4.162 -0.032 1
1 304 . 2 1 1 A 34 34 ALA C C 34 179.600 179.762 -0.162 1
1 305 . 2 1 1 A 34 34 ALA CA C 34 54.400 54.942 -0.542 1
1 306 . 2 1 1 A 34 34 ALA CB C 34 18.400 18.521 -0.121 1
1 307 . 2 1 1 A 34 34 ALA N N 34 122.200 122.281 -0.081 1
1 308 . 2 1 1 A 35 35 PHE H H 35 8.040 8.291 -0.251 1
1 309 . 2 1 1 A 35 35 PHE HA H 35 4.020 4.248 -0.228 1
1 317 . 2 1 1 A 35 35 PHE C C 35 176.100 177.599 -1.499 1
1 318 . 2 1 1 A 35 35 PHE CA C 35 61.000 61.244 -0.244 1
1 319 . 2 1 1 A 35 35 PHE CB C 35 39.000 39.172 -0.172 1
1 323 . 2 1 1 A 35 35 PHE N N 35 117.100 120.651 -3.551 1
1 324 . 2 1 1 A 36 36 LYS H H 36 8.490 8.625 -0.135 1
1 325 . 2 1 1 A 36 36 LYS HA H 36 3.320 3.940 -0.620 1
1 334 . 2 1 1 A 36 36 LYS C C 36 178.000 178.715 -0.715 1
1 335 . 2 1 1 A 36 36 LYS CA C 36 59.800 58.546 1.254 1
1 336 . 2 1 1 A 36 36 LYS CB C 36 32.100 31.425 0.675 1
1 340 . 2 1 1 A 36 36 LYS N N 36 118.100 118.406 -0.306 1
1 341 . 2 1 1 A 37 37 ALA H H 37 7.450 7.927 -0.477 1
1 342 . 2 1 1 A 37 37 ALA HA H 37 4.130 4.178 -0.048 1
1 346 . 2 1 1 A 37 37 ALA C C 37 178.500 179.245 -0.745 1
1 347 . 2 1 1 A 37 37 ALA CA C 37 53.600 54.906 -1.306 1
1 348 . 2 1 1 A 37 37 ALA CB C 37 18.500 18.619 -0.119 1
1 349 . 2 1 1 A 37 37 ALA N N 37 117.700 122.266 -4.566 1
1 350 . 2 1 1 A 38 38 ARG H H 38 7.160 7.622 -0.462 1
1 351 . 2 1 1 A 38 38 ARG HA H 38 4.340 4.304 0.036 1
1 358 . 2 1 1 A 38 38 ARG C C 38 175.400 175.698 -0.298 1
1 359 . 2 1 1 A 38 38 ARG CA C 38 54.200 55.707 -1.507 1
1 360 . 2 1 1 A 38 38 ARG CB C 38 31.400 30.561 0.839 1
1 363 . 2 1 1 A 38 38 ARG N N 38 114.800 115.005 -0.205 1
1 364 . 2 1 1 A 39 39 TYR H H 39 7.510 7.379 0.131 1
1 365 . 2 1 1 A 39 39 TYR HA H 39 3.350 4.294 -0.944 1
1 372 . 2 1 1 A 39 39 TYR C C 39 173.700 174.436 -0.736 1
1 373 . 2 1 1 A 39 39 TYR CA C 39 60.800 59.347 1.453 1
1 374 . 2 1 1 A 39 39 TYR CB C 39 38.000 38.866 -0.866 1
1 377 . 2 1 1 A 39 39 TYR N N 39 122.600 122.881 -0.281 1
1 378 . 2 1 1 A 40 40 SER H H 40 5.730 8.030 -2.300 1
1 379 . 2 1 1 A 40 40 SER HA H 40 4.470 4.766 -0.296 1
1 382 . 2 1 1 A 40 40 SER CA C 40 56.100 57.149 -1.049 1
1 383 . 2 1 1 A 40 40 SER CB C 40 65.100 66.113 -1.013 1
1 384 . 2 1 1 A 40 40 SER N N 40 119.100 123.702 -4.602 1
1 385 . 2 1 1 A 41 41 ASP HA H 41 4.210 4.266 -0.056 1
1 388 . 2 1 1 A 41 41 ASP CA C 41 56.700 56.810 -0.110 1
1 389 . 2 1 1 A 41 41 ASP CB C 41 40.500 39.688 0.812 1
1 390 . 2 1 1 A 42 42 ILE HA H 42 4.030 3.781 0.249 1
1 400 . 2 1 1 A 42 42 ILE C C 42 176.600 177.760 -1.160 1
1 401 . 2 1 1 A 42 42 ILE CA C 42 63.200 63.042 0.158 1
1 402 . 2 1 1 A 42 42 ILE CB C 42 37.600 37.438 0.162 1
1 406 . 2 1 1 A 43 43 LEU H H 43 7.700 7.838 -0.138 1
1 407 . 2 1 1 A 43 43 LEU HA H 43 4.560 4.278 0.282 1
1 417 . 2 1 1 A 43 43 LEU C C 43 178.000 179.343 -1.343 1
1 418 . 2 1 1 A 43 43 LEU CA C 43 54.700 56.406 -1.706 1
1 419 . 2 1 1 A 43 43 LEU CB C 43 40.800 41.345 -0.545 1
1 423 . 2 1 1 A 43 43 LEU N N 43 117.500 120.506 -3.006 1
1 424 . 2 1 1 A 44 44 ASN H H 44 7.870 8.325 -0.455 1
1 425 . 2 1 1 A 44 44 ASN HA H 44 4.480 4.692 -0.212 1
1 428 . 2 1 1 A 44 44 ASN CA C 44 55.300 55.832 -0.532 1
1 429 . 2 1 1 A 44 44 ASN CB C 44 38.200 39.273 -1.073 1
1 430 . 2 1 1 A 44 44 ASN N N 44 118.400 118.462 -0.062 1
1 431 . 2 1 1 A 45 45 LYS HA H 45 4.200 4.085 0.115 1
1 440 . 2 1 1 A 45 45 LYS C C 45 176.200 177.799 -1.599 1
1 441 . 2 1 1 A 45 45 LYS CA C 45 56.500 58.666 -2.166 1
1 442 . 2 1 1 A 45 45 LYS CB C 45 32.000 31.826 0.174 1
1 446 . 2 1 1 A 46 46 TYR H H 46 6.770 7.300 -0.530 1
1 447 . 2 1 1 A 46 46 TYR HA H 46 3.900 4.139 -0.239 1
1 454 . 2 1 1 A 46 46 TYR C C 46 175.500 175.338 0.162 1
1 455 . 2 1 1 A 46 46 TYR CA C 46 59.200 59.187 0.013 1
1 456 . 2 1 1 A 46 46 TYR CB C 46 38.700 38.673 0.027 1
1 459 . 2 1 1 A 46 46 TYR N N 46 117.400 118.839 -1.439 1
1 460 . 2 1 1 A 47 47 ASP H H 47 7.540 7.736 -0.196 1
1 461 . 2 1 1 A 47 47 ASP HA H 47 4.880 4.354 0.526 1
1 464 . 2 1 1 A 47 47 ASP C C 47 175.100 174.115 0.985 1
1 465 . 2 1 1 A 47 47 ASP CA C 47 56.100 55.640 0.460 1
1 466 . 2 1 1 A 47 47 ASP CB C 47 43.100 39.343 3.757 1
1 467 . 2 1 1 A 47 47 ASP N N 47 118.300 117.036 1.264 1
1 468 . 2 1 1 A 48 48 TYR H H 48 8.640 8.037 0.603 1
1 469 . 2 1 1 A 48 48 TYR HA H 48 5.670 5.639 0.031 1
1 476 . 2 1 1 A 48 48 TYR C C 48 174.700 174.782 -0.082 1
1 477 . 2 1 1 A 48 48 TYR CA C 48 55.900 56.818 -0.918 1
1 478 . 2 1 1 A 48 48 TYR CB C 48 43.500 42.499 1.001 1
1 481 . 2 1 1 A 48 48 TYR N N 48 116.700 118.508 -1.808 1
1 482 . 2 1 1 A 49 49 ILE H H 49 9.130 9.010 0.120 1
1 483 . 2 1 1 A 49 49 ILE HA H 49 4.660 4.992 -0.332 1
1 493 . 2 1 1 A 49 49 ILE C C 49 173.900 175.239 -1.339 1
1 494 . 2 1 1 A 49 49 ILE CA C 49 59.400 59.797 -0.397 1
1 495 . 2 1 1 A 49 49 ILE CB C 49 40.700 38.981 1.719 1
1 499 . 2 1 1 A 49 49 ILE N N 49 119.500 124.209 -4.709 1
1 500 . 2 1 1 A 50 50 VAL H H 50 9.220 9.275 -0.055 1
1 501 . 2 1 1 A 50 50 VAL HA H 50 4.860 5.026 -0.166 1
1 509 . 2 1 1 A 50 50 VAL C C 50 175.200 174.813 0.387 1
1 510 . 2 1 1 A 50 50 VAL CA C 50 60.100 60.665 -0.565 1
1 511 . 2 1 1 A 50 50 VAL CB C 50 33.400 34.475 -1.075 1
1 514 . 2 1 1 A 50 50 VAL N N 50 128.600 128.341 0.259 1
1 515 . 2 1 1 A 51 51 GLY H H 51 7.860 8.071 -0.211 1
1 516 . 2 1 1 A 51 51 GLY HA2 H 51 5.420 3.484 1.936 1
1 517 . 2 1 1 A 51 51 GLY HA3 H 51 2.080 3.955 -1.875 1
1 518 . 2 1 1 A 51 51 GLY C C 51 170.700 171.234 -0.534 1
1 519 . 2 1 1 A 51 51 GLY CA C 51 43.600 44.019 -0.419 1
1 520 . 2 1 1 A 51 51 GLY N N 51 116.100 115.025 1.075 1
1 521 . 2 1 1 A 52 52 ASP H H 52 8.940 8.652 0.288 1
1 522 . 2 1 1 A 52 52 ASP HA H 52 5.540 5.403 0.137 1
1 525 . 2 1 1 A 52 52 ASP C C 52 174.200 175.405 -1.205 1
1 526 . 2 1 1 A 52 52 ASP CA C 52 53.000 52.701 0.299 1
1 527 . 2 1 1 A 52 52 ASP CB C 52 47.100 44.360 2.740 1
1 528 . 2 1 1 A 52 52 ASP N N 52 121.200 121.752 -0.552 1
1 529 . 2 1 1 A 53 53 TRP H H 53 7.980 9.129 -1.149 1
1 530 . 2 1 1 A 53 53 TRP HA H 53 4.950 4.932 0.018 1
1 539 . 2 1 1 A 53 53 TRP C C 53 178.500 178.120 0.380 1
1 540 . 2 1 1 A 53 53 TRP CA C 53 56.200 57.451 -1.251 1
1 541 . 2 1 1 A 53 53 TRP CB C 53 28.500 30.670 -2.170 1
1 547 . 2 1 1 A 53 53 TRP N N 53 119.900 124.862 -4.962 1
1 549 . 2 1 1 A 54 54 GLY H H 54 10.320 8.647 1.673 1
1 550 . 2 1 1 A 54 54 GLY HA2 H 54 4.020 3.938 0.082 1
1 551 . 2 1 1 A 54 54 GLY HA3 H 54 4.020 3.953 0.067 1
1 552 . 2 1 1 A 54 54 GLY CA C 54 48.600 47.395 1.205 1
1 553 . 2 1 1 A 54 54 GLY N N 54 115.400 108.877 6.523 1
1 554 . 2 1 1 A 55 55 TYR HA H 55 4.890 4.680 0.210 1
1 561 . 2 1 1 A 55 55 TYR CA C 55 56.800 59.900 -3.100 1
1 562 . 2 1 1 A 55 55 TYR CB C 55 38.100 38.802 -0.702 1
1 565 . 2 1 1 A 56 56 GLY HA2 H 56 3.850 3.933 -0.083 1
1 566 . 2 1 1 A 56 56 GLY HA3 H 56 4.360 4.066 0.294 1
1 567 . 2 1 1 A 56 56 GLY C C 56 173.100 174.011 -0.911 1
1 568 . 2 1 1 A 56 56 GLY CA C 56 45.600 45.675 -0.075 1
1 569 . 2 1 1 A 57 57 GLN H H 57 7.380 7.627 -0.247 1
1 570 . 2 1 1 A 57 57 GLN HA H 57 4.660 4.554 0.106 1
1 576 . 2 1 1 A 57 57 GLN C C 57 173.800 174.982 -1.182 1
1 577 . 2 1 1 A 57 57 GLN CA C 57 53.400 55.260 -1.860 1
1 578 . 2 1 1 A 57 57 GLN CB C 57 31.600 30.186 1.414 1
1 580 . 2 1 1 A 57 57 GLN N N 57 116.300 120.584 -4.284 1
1 582 . 2 1 1 A 58 58 LEU H H 58 8.100 8.429 -0.329 1
1 583 . 2 1 1 A 58 58 LEU HA H 58 3.250 3.964 -0.714 1
1 593 . 2 1 1 A 58 58 LEU C C 58 174.200 175.456 -1.256 1
1 594 . 2 1 1 A 58 58 LEU CA C 58 55.500 54.901 0.599 1
1 595 . 2 1 1 A 58 58 LEU CB C 58 39.900 41.651 -1.751 1
1 599 . 2 1 1 A 58 58 LEU N N 58 124.400 127.440 -3.040 1
1 600 . 2 1 1 A 59 59 ARG H H 59 8.360 8.626 -0.266 1
1 601 . 2 1 1 A 59 59 ARG HA H 59 4.470 4.910 -0.440 1
1 608 . 2 1 1 A 59 59 ARG C C 59 174.000 174.491 -0.491 1
1 609 . 2 1 1 A 59 59 ARG CA C 59 54.200 54.337 -0.137 1
1 610 . 2 1 1 A 59 59 ARG CB C 59 33.000 33.547 -0.547 1
1 613 . 2 1 1 A 59 59 ARG N N 59 130.500 127.838 2.662 1
1 614 . 2 1 1 A 60 60 LEU H H 60 8.480 8.756 -0.276 1
1 615 . 2 1 1 A 60 60 LEU HA H 60 5.260 4.960 0.300 1
1 625 . 2 1 1 A 60 60 LEU C C 60 176.000 175.951 0.049 1
1 626 . 2 1 1 A 60 60 LEU CA C 60 52.500 53.834 -1.334 1
1 627 . 2 1 1 A 60 60 LEU CB C 60 44.200 42.626 1.574 1
1 631 . 2 1 1 A 60 60 LEU N N 60 122.400 127.342 -4.942 1
1 632 . 2 1 1 A 61 61 LYS H H 61 8.900 8.950 -0.050 1
1 633 . 2 1 1 A 61 61 LYS HA H 61 4.160 4.759 -0.599 1
1 642 . 2 1 1 A 61 61 LYS C C 61 174.200 175.499 -1.299 1
1 643 . 2 1 1 A 61 61 LYS CA C 61 54.800 53.818 0.982 1
1 644 . 2 1 1 A 61 61 LYS CB C 61 36.600 35.064 1.536 1
1 648 . 2 1 1 A 61 61 LYS N N 61 123.800 123.385 0.415 1
1 649 . 2 1 1 A 62 62 GLY H H 62 8.140 7.567 0.573 1
1 650 . 2 1 1 A 62 62 GLY HA2 H 62 4.160 3.498 0.662 1
1 651 . 2 1 1 A 62 62 GLY HA3 H 62 4.160 4.132 0.028 1
1 652 . 2 1 1 A 62 62 GLY C C 62 172.000 171.126 0.874 1
1 653 . 2 1 1 A 62 62 GLY CA C 62 43.000 43.852 -0.852 1
1 654 . 2 1 1 A 62 62 GLY N N 62 114.000 107.526 6.474 1
1 655 . 2 1 1 A 63 63 PHE H H 63 8.500 8.369 0.131 1
1 656 . 2 1 1 A 63 63 PHE HA H 63 4.800 4.990 -0.190 1
1 664 . 2 1 1 A 63 63 PHE C C 63 175.400 174.398 1.002 1
1 665 . 2 1 1 A 63 63 PHE CA C 63 55.800 56.237 -0.437 1
1 666 . 2 1 1 A 63 63 PHE CB C 63 46.200 43.786 2.414 1
1 670 . 2 1 1 A 63 63 PHE N N 63 118.600 120.100 -1.500 1
1 671 . 2 1 1 A 64 64 PHE H H 64 9.930 8.966 0.964 1
1 672 . 2 1 1 A 64 64 PHE HA H 64 5.460 5.183 0.277 1
1 679 . 2 1 1 A 64 64 PHE C C 64 175.600 175.120 0.480 1
1 680 . 2 1 1 A 64 64 PHE CA C 64 57.500 57.636 -0.136 1
1 681 . 2 1 1 A 64 64 PHE CB C 64 43.100 42.061 1.039 1
1 684 . 2 1 1 A 64 64 PHE N N 64 120.100 119.462 0.638 1
1 685 . 2 1 1 A 65 65 ASP H H 65 10.950 8.772 2.178 1
1 686 . 2 1 1 A 65 65 ASP HA H 65 4.860 4.892 -0.032 1
1 689 . 2 1 1 A 65 65 ASP C C 65 177.400 176.065 1.335 1
1 690 . 2 1 1 A 65 65 ASP CA C 65 56.400 54.700 1.700 1
1 691 . 2 1 1 A 65 65 ASP CB C 65 42.800 40.703 2.097 1
1 692 . 2 1 1 A 65 65 ASP N N 65 123.200 120.949 2.251 1
1 693 . 2 1 1 A 66 66 ASP H H 66 8.470 9.106 -0.636 1
1 694 . 2 1 1 A 66 66 ASP HA H 66 4.110 4.628 -0.518 1
1 697 . 2 1 1 A 66 66 ASP C C 66 175.300 176.113 -0.813 1
1 698 . 2 1 1 A 66 66 ASP CA C 66 57.800 56.494 1.306 1
1 699 . 2 1 1 A 66 66 ASP CB C 66 42.000 41.707 0.293 1
1 700 . 2 1 1 A 66 66 ASP N N 66 122.800 123.800 -1.000 1
1 701 . 2 1 1 A 67 67 GLN H H 67 8.500 7.665 0.835 1
1 702 . 2 1 1 A 67 67 GLN HA H 67 4.250 4.546 -0.296 1
1 707 . 2 1 1 A 67 67 GLN C C 67 175.900 176.089 -0.189 1
1 708 . 2 1 1 A 67 67 GLN CA C 67 55.400 54.760 0.640 1
1 709 . 2 1 1 A 67 67 GLN CB C 67 28.300 28.424 -0.124 1
1 711 . 2 1 1 A 68 68 ASN H H 68 7.880 9.093 -1.213 1
1 712 . 2 1 1 A 68 68 ASN HA H 68 4.430 4.872 -0.442 1
1 714 . 2 1 1 A 68 68 ASN CA C 68 53.300 54.261 -0.961 1
1 715 . 2 1 1 A 68 68 ASN CB C 68 39.300 38.636 0.664 1
1 716 . 2 1 1 A 68 68 ASN N N 68 121.500 124.559 -3.059 1
1 722 . 2 1 1 A 73 73 PHE HA H 73 4.190 4.769 -0.579 1
1 730 . 2 1 1 A 73 73 PHE CA C 73 61.300 58.882 2.418 1
1 731 . 2 1 1 A 73 73 PHE CB C 73 38.600 40.380 -1.780 1
1 735 . 2 1 1 A 74 74 GLU HA H 74 4.290 4.360 -0.070 1
1 738 . 2 1 1 A 74 74 GLU CA C 74 56.800 57.611 -0.811 1
1 739 . 2 1 1 A 74 74 GLU CB C 74 29.900 27.636 2.264 1
1 741 . 2 1 1 A 75 75 THR HA H 75 4.180 4.512 -0.332 1
1 746 . 2 1 1 A 75 75 THR C C 75 174.100 174.647 -0.547 1
1 747 . 2 1 1 A 75 75 THR CA C 75 60.700 61.864 -1.164 1
1 748 . 2 1 1 A 75 75 THR CB C 75 69.800 70.793 -0.993 1
1 750 . 2 1 1 A 76 76 LYS HA H 76 3.880 4.275 -0.395 1
1 759 . 2 1 1 A 76 76 LYS CA C 76 55.900 55.167 0.733 1
1 760 . 2 1 1 A 76 76 LYS CB C 76 32.100 31.073 1.027 1
1 764 . 2 1 1 A 77 77 ILE H H 77 9.060 8.073 0.987 1
1 765 . 2 1 1 A 77 77 ILE HA H 77 3.850 4.010 -0.160 1
1 775 . 2 1 1 A 77 77 ILE C C 77 175.900 176.524 -0.624 1
1 776 . 2 1 1 A 77 77 ILE CA C 77 59.600 61.743 -2.143 1
1 777 . 2 1 1 A 77 77 ILE CB C 77 38.400 36.696 1.704 1
1 781 . 2 1 1 A 77 77 ILE N N 77 126.900 125.937 0.963 1
1 782 . 2 1 1 A 78 78 SER H H 78 8.730 8.709 0.021 1
1 783 . 2 1 1 A 78 78 SER HA H 78 4.140 4.034 0.106 1
1 786 . 2 1 1 A 78 78 SER C C 78 176.200 176.882 -0.682 1
1 787 . 2 1 1 A 78 78 SER CA C 78 60.800 61.403 -0.603 1
1 788 . 2 1 1 A 78 78 SER CB C 78 61.200 62.975 -1.775 1
1 789 . 2 1 1 A 78 78 SER N N 78 119.000 124.193 -5.193 1
1 790 . 2 1 1 A 79 79 THR H H 79 8.050 7.905 0.145 1
1 791 . 2 1 1 A 79 79 THR HA H 79 4.580 3.974 0.606 1
1 796 . 2 1 1 A 79 79 THR C C 79 174.400 176.387 -1.987 1
1 797 . 2 1 1 A 79 79 THR CA C 79 62.200 65.506 -3.306 1
1 798 . 2 1 1 A 79 79 THR CB C 79 69.300 68.763 0.537 1
1 800 . 2 1 1 A 79 79 THR N N 79 114.300 115.089 -0.789 1
1 801 . 2 1 1 A 80 80 LEU H H 80 7.470 7.545 -0.075 1
1 802 . 2 1 1 A 80 80 LEU HA H 80 3.580 3.398 0.182 1
1 812 . 2 1 1 A 80 80 LEU C C 80 176.500 177.681 -1.181 1
1 813 . 2 1 1 A 80 80 LEU CA C 80 58.400 57.062 1.338 1
1 814 . 2 1 1 A 80 80 LEU CB C 80 41.800 41.539 0.261 1
1 818 . 2 1 1 A 80 80 LEU N N 80 123.200 121.931 1.269 1
1 819 . 2 1 1 A 81 81 ASP H H 81 8.450 8.298 0.152 1
1 820 . 2 1 1 A 81 81 ASP HA H 81 4.060 4.108 -0.048 1
1 823 . 2 1 1 A 81 81 ASP C C 81 178.700 178.408 0.292 1
1 824 . 2 1 1 A 81 81 ASP CA C 81 57.600 57.953 -0.353 1
1 825 . 2 1 1 A 81 81 ASP CB C 81 39.500 42.364 -2.864 1
1 826 . 2 1 1 A 81 81 ASP N N 81 116.000 119.109 -3.109 1
1 827 . 2 1 1 A 82 82 GLU H H 82 7.800 8.066 -0.266 1
1 828 . 2 1 1 A 82 82 GLU HA H 82 4.030 4.058 -0.028 1
1 833 . 2 1 1 A 82 82 GLU C C 82 178.500 179.046 -0.546 1
1 834 . 2 1 1 A 82 82 GLU CA C 82 59.100 59.456 -0.356 1
1 835 . 2 1 1 A 82 82 GLU CB C 82 29.300 29.582 -0.282 1
1 837 . 2 1 1 A 82 82 GLU N N 82 120.400 118.918 1.482 1
1 838 . 2 1 1 A 83 83 TYR H H 83 8.190 7.814 0.376 1
1 839 . 2 1 1 A 83 83 TYR HA H 83 4.410 4.130 0.280 1
1 846 . 2 1 1 A 83 83 TYR C C 83 176.700 177.279 -0.579 1
1 847 . 2 1 1 A 83 83 TYR CA C 83 60.900 61.213 -0.313 1
1 848 . 2 1 1 A 83 83 TYR CB C 83 37.600 38.733 -1.133 1
1 851 . 2 1 1 A 83 83 TYR N N 83 122.900 121.817 1.083 1
1 852 . 2 1 1 A 84 84 ILE H H 84 8.400 8.370 0.030 1
1 853 . 2 1 1 A 84 84 ILE HA H 84 3.240 3.513 -0.273 1
1 863 . 2 1 1 A 84 84 ILE C C 84 178.000 177.749 0.251 1
1 864 . 2 1 1 A 84 84 ILE CA C 84 60.800 64.867 -4.067 1
1 865 . 2 1 1 A 84 84 ILE CB C 84 35.500 37.535 -2.035 1
1 869 . 2 1 1 A 84 84 ILE N N 84 119.100 120.407 -1.307 1
1 870 . 2 1 1 A 85 85 TYR H H 85 7.820 8.234 -0.414 1
1 871 . 2 1 1 A 85 85 TYR HA H 85 3.910 4.051 -0.141 1
1 878 . 2 1 1 A 85 85 TYR C C 85 176.800 177.843 -1.043 1
1 879 . 2 1 1 A 85 85 TYR CA C 85 60.700 61.119 -0.419 1
1 880 . 2 1 1 A 85 85 TYR CB C 85 37.900 38.530 -0.630 1
1 883 . 2 1 1 A 85 85 TYR N N 85 119.100 119.755 -0.655 1
1 884 . 2 1 1 A 86 86 GLU H H 86 7.660 8.087 -0.427 1
1 885 . 2 1 1 A 86 86 GLU HA H 86 3.690 3.683 0.007 1
1 890 . 2 1 1 A 86 86 GLU C C 86 177.900 178.340 -0.440 1
1 891 . 2 1 1 A 86 86 GLU CA C 86 58.200 58.996 -0.796 1
1 892 . 2 1 1 A 86 86 GLU CB C 86 29.500 29.173 0.327 1
1 894 . 2 1 1 A 86 86 GLU N N 86 116.700 118.518 -1.818 1
1 895 . 2 1 1 A 87 87 TYR H H 87 8.010 7.158 0.852 1
1 896 . 2 1 1 A 87 87 TYR HA H 87 4.090 4.243 -0.153 1
1 903 . 2 1 1 A 87 87 TYR C C 87 176.000 176.924 -0.924 1
1 904 . 2 1 1 A 87 87 TYR CA C 87 60.100 60.250 -0.150 1
1 905 . 2 1 1 A 87 87 TYR CB C 87 37.300 39.150 -1.850 1
1 908 . 2 1 1 A 87 87 TYR N N 87 114.900 117.998 -3.098 1
1 909 . 2 1 1 A 88 88 CYS H H 88 8.300 8.213 0.087 1
1 910 . 2 1 1 A 88 88 CYS HA H 88 4.760 4.583 0.177 1
1 913 . 2 1 1 A 88 88 CYS CA C 88 53.500 55.558 -2.058 1
1 914 . 2 1 1 A 88 88 CYS CB C 88 42.000 41.720 0.280 1
1 915 . 2 1 1 A 88 88 CYS N N 88 119.700 116.285 3.415 1
1 916 . 2 1 1 A 89 89 ASN C C 89 176.500 175.200 1.300 1
1 917 . 2 1 1 A 90 90 PHE HA H 90 4.590 4.790 -0.200 1
1 925 . 2 1 1 A 90 90 PHE CA C 90 57.400 57.840 -0.440 1
1 926 . 2 1 1 A 90 90 PHE CB C 90 38.200 42.255 -4.055 1
1 930 . 2 1 1 A 92 92 CYS HA H 92 4.660 5.387 -0.727 1
1 933 . 2 1 1 A 92 92 CYS C C 92 172.000 172.376 -0.376 1
1 934 . 2 1 1 A 92 92 CYS CA C 92 55.000 55.017 -0.017 1
1 935 . 2 1 1 A 92 92 CYS CB C 92 47.400 46.761 0.639 1
1 936 . 2 1 1 A 93 93 ALA H H 93 8.670 8.917 -0.247 1
1 937 . 2 1 1 A 93 93 ALA HA H 93 4.520 5.622 -1.102 1
1 941 . 2 1 1 A 93 93 ALA C C 93 177.400 175.696 1.704 1
1 942 . 2 1 1 A 93 93 ALA CA C 93 52.400 52.232 0.168 1
1 943 . 2 1 1 A 93 93 ALA CB C 93 19.800 21.845 -2.045 1
1 944 . 2 1 1 A 93 93 ALA N N 93 126.000 122.025 3.975 1
1 945 . 2 1 1 A 94 94 TYR H H 94 8.460 9.073 -0.613 1
1 946 . 2 1 1 A 94 94 TYR HA H 94 5.570 6.000 -0.430 1
1 953 . 2 1 1 A 94 94 TYR C C 94 171.500 173.201 -1.701 1
1 954 . 2 1 1 A 94 94 TYR CA C 94 57.200 56.066 1.134 1
1 955 . 2 1 1 A 94 94 TYR CB C 94 39.800 42.032 -2.232 1
1 958 . 2 1 1 A 94 94 TYR N N 94 116.200 118.600 -2.400 1
1 959 . 2 1 1 A 95 95 PHE H H 95 9.220 8.923 0.297 1
1 960 . 2 1 1 A 95 95 PHE HA H 95 5.280 5.953 -0.673 1
1 967 . 2 1 1 A 95 95 PHE C C 95 172.900 173.464 -0.564 1
1 968 . 2 1 1 A 95 95 PHE CA C 95 55.200 55.471 -0.271 1
1 969 . 2 1 1 A 95 95 PHE CB C 95 42.400 43.264 -0.864 1
1 972 . 2 1 1 A 95 95 PHE N N 95 114.100 117.213 -3.113 1
1 973 . 2 1 1 A 96 96 VAL H H 96 9.130 8.972 0.158 1
1 974 . 2 1 1 A 96 96 VAL HA H 96 4.860 5.118 -0.258 1
1 982 . 2 1 1 A 96 96 VAL C C 96 174.800 174.823 -0.023 1
1 983 . 2 1 1 A 96 96 VAL CA C 96 61.400 61.290 0.110 1
1 984 . 2 1 1 A 96 96 VAL CB C 96 35.100 34.511 0.589 1
1 987 . 2 1 1 A 96 96 VAL N N 96 118.400 120.982 -2.582 1
1 988 . 2 1 1 A 97 97 LEU H H 97 9.610 9.452 0.158 1
1 989 . 2 1 1 A 97 97 LEU HA H 97 5.380 5.418 -0.038 1
1 999 . 2 1 1 A 97 97 LEU C C 97 175.700 175.567 0.133 1
1 1000 . 2 1 1 A 97 97 LEU CA C 97 52.100 53.170 -1.070 1
1 1001 . 2 1 1 A 97 97 LEU CB C 97 44.500 44.895 -0.395 1
1 1005 . 2 1 1 A 97 97 LEU N N 97 126.100 127.488 -1.388 1
1 1006 . 2 1 1 A 98 98 LYS H H 98 9.660 9.110 0.550 1
1 1007 . 2 1 1 A 98 98 LYS HA H 98 4.740 5.181 -0.441 1
1 1016 . 2 1 1 A 98 98 LYS C C 98 175.500 175.985 -0.485 1
1 1017 . 2 1 1 A 98 98 LYS CA C 98 54.400 54.818 -0.418 1
1 1018 . 2 1 1 A 98 98 LYS CB C 98 37.500 35.412 2.088 1
1 1022 . 2 1 1 A 98 98 LYS N N 98 123.900 124.290 -0.390 1
1 1023 . 2 1 1 A 99 99 ARG H H 99 8.400 8.557 -0.157 1
1 1024 . 2 1 1 A 99 99 ARG HA H 99 4.040 4.345 -0.305 1
1 1031 . 2 1 1 A 99 99 ARG C C 99 174.800 175.690 -0.890 1
1 1032 . 2 1 1 A 99 99 ARG CA C 99 55.500 56.606 -1.106 1
1 1033 . 2 1 1 A 99 99 ARG CB C 99 30.000 30.663 -0.663 1
1 1036 . 2 1 1 A 99 99 ARG N N 99 128.700 128.399 0.301 1
1 1037 . 2 1 1 A 100 100 ILE H H 100 8.660 8.533 0.127 1
1 1038 . 2 1 1 A 100 100 ILE HA H 100 4.150 3.967 0.183 1
1 1048 . 2 1 1 A 100 100 ILE CA C 100 59.100 61.849 -2.749 1
1 1049 . 2 1 1 A 100 100 ILE CB C 100 36.300 38.015 -1.715 1
1 1053 . 2 1 1 A 100 100 ILE N N 100 130.500 128.192 2.308 1
1 1054 . 2 1 1 A 101 101 ARG C C 101 177.000 175.746 1.254 1
1 1055 . 2 1 1 A 102 102 LYS C C 102 178.900 173.799 5.101 1
1 1056 . 2 1 1 A 103 103 LEU HA H 103 4.230 4.995 -0.765 1
1 1066 . 2 1 1 A 103 103 LEU CA C 103 54.900 53.413 1.487 1
1 1067 . 2 1 1 A 103 103 LEU CB C 103 42.100 43.127 -1.027 1
1 1071 . 2 1 1 A 104 104 GLU HA H 104 4.010 4.466 -0.456 1
1 1075 . 2 1 1 A 104 104 GLU CA C 104 58.300 56.464 1.836 1
1 1076 . 2 1 1 A 104 104 GLU CB C 104 28.300 30.336 -2.036 1
1 1 . 3 1 1 A 10 10 GLU HA H 10 4.230 4.069 0.161 1
1 6 . 3 1 1 A 10 10 GLU C C 10 176.100 176.654 -0.554 1
1 7 . 3 1 1 A 10 10 GLU CA C 10 56.800 58.933 -2.133 1
1 8 . 3 1 1 A 10 10 GLU CB C 10 30.400 30.439 -0.039 1
1 10 . 3 1 1 A 11 11 ILE H H 11 8.270 8.048 0.222 1
1 11 . 3 1 1 A 11 11 ILE HA H 11 4.100 4.289 -0.189 1
1 21 . 3 1 1 A 11 11 ILE C C 11 173.900 174.069 -0.169 1
1 22 . 3 1 1 A 11 11 ILE CA C 11 60.900 60.812 0.088 1
1 23 . 3 1 1 A 11 11 ILE CB C 11 38.300 38.885 -0.585 1
1 27 . 3 1 1 A 11 11 ILE N N 11 121.800 118.159 3.641 1
1 28 . 3 1 1 A 12 12 MET H H 12 8.150 8.666 -0.516 1
1 29 . 3 1 1 A 12 12 MET HA H 12 5.250 5.114 0.136 1
1 37 . 3 1 1 A 12 12 MET C C 12 175.500 175.210 0.290 1
1 38 . 3 1 1 A 12 12 MET CA C 12 53.100 54.495 -1.395 1
1 39 . 3 1 1 A 12 12 MET CB C 12 33.600 32.955 0.645 1
1 42 . 3 1 1 A 12 12 MET N N 12 125.200 125.167 0.033 1
1 43 . 3 1 1 A 13 13 ILE H H 13 9.200 9.520 -0.320 1
1 44 . 3 1 1 A 13 13 ILE HA H 13 4.400 4.673 -0.273 1
1 54 . 3 1 1 A 13 13 ILE C C 13 173.500 175.051 -1.551 1
1 55 . 3 1 1 A 13 13 ILE CA C 13 59.600 60.819 -1.219 1
1 56 . 3 1 1 A 13 13 ILE CB C 13 40.500 37.694 2.806 1
1 60 . 3 1 1 A 13 13 ILE N N 13 123.700 126.117 -2.417 1
1 61 . 3 1 1 A 14 14 LEU H H 14 8.550 9.121 -0.571 1
1 62 . 3 1 1 A 14 14 LEU HA H 14 5.200 5.095 0.105 1
1 72 . 3 1 1 A 14 14 LEU C C 14 176.100 175.965 0.135 1
1 73 . 3 1 1 A 14 14 LEU CA C 14 53.700 53.792 -0.092 1
1 74 . 3 1 1 A 14 14 LEU CB C 14 43.700 41.973 1.727 1
1 78 . 3 1 1 A 14 14 LEU N N 14 128.800 128.903 -0.103 1
1 79 . 3 1 1 A 15 15 ILE H H 15 8.780 9.090 -0.310 1
1 80 . 3 1 1 A 15 15 ILE HA H 15 4.350 4.551 -0.201 1
1 90 . 3 1 1 A 15 15 ILE CA C 15 58.700 60.242 -1.542 1
1 91 . 3 1 1 A 15 15 ILE CB C 15 39.800 41.115 -1.315 1
1 95 . 3 1 1 A 15 15 ILE N N 15 123.000 124.387 -1.387 1
1 96 . 3 1 1 A 16 16 GLN HA H 16 3.710 4.050 -0.340 1
1 100 . 3 1 1 A 16 16 GLN CA C 16 57.700 57.433 0.267 1
1 101 . 3 1 1 A 16 16 GLN CB C 16 26.500 27.065 -0.565 1
1 103 . 3 1 1 A 17 17 ASN HA H 17 4.460 4.292 0.168 1
1 108 . 3 1 1 A 17 17 ASN C C 17 173.300 173.800 -0.500 1
1 109 . 3 1 1 A 17 17 ASN CA C 17 53.900 54.656 -0.756 1
1 110 . 3 1 1 A 17 17 ASN CB C 17 38.100 38.567 -0.467 1
1 112 . 3 1 1 A 18 18 ALA H H 18 8.450 7.460 0.990 1
1 113 . 3 1 1 A 18 18 ALA HA H 18 4.250 4.633 -0.383 1
1 117 . 3 1 1 A 18 18 ALA C C 18 174.000 175.017 -1.017 1
1 118 . 3 1 1 A 18 18 ALA CA C 18 51.600 50.388 1.212 1
1 119 . 3 1 1 A 18 18 ALA CB C 18 20.500 21.583 -1.083 1
1 120 . 3 1 1 A 18 18 ALA N N 18 125.200 120.880 4.320 1
1 121 . 3 1 1 A 19 19 GLU H H 19 7.930 8.419 -0.489 1
1 122 . 3 1 1 A 19 19 GLU HA H 19 5.000 4.727 0.273 1
1 127 . 3 1 1 A 19 19 GLU C C 19 174.500 175.083 -0.583 1
1 128 . 3 1 1 A 19 19 GLU CA C 19 54.400 55.085 -0.685 1
1 129 . 3 1 1 A 19 19 GLU CB C 19 32.500 31.300 1.200 1
1 131 . 3 1 1 A 19 19 GLU N N 19 121.700 122.664 -0.964 1
1 132 . 3 1 1 A 20 20 PHE H H 20 9.110 9.016 0.094 1
1 133 . 3 1 1 A 20 20 PHE HA H 20 5.340 5.632 -0.292 1
1 141 . 3 1 1 A 20 20 PHE C C 20 173.900 174.372 -0.472 1
1 142 . 3 1 1 A 20 20 PHE CA C 20 55.800 56.699 -0.899 1
1 143 . 3 1 1 A 20 20 PHE CB C 20 44.800 43.745 1.055 1
1 147 . 3 1 1 A 20 20 PHE N N 20 120.100 124.559 -4.459 1
1 148 . 3 1 1 A 21 21 GLU H H 21 9.200 8.793 0.407 1
1 149 . 3 1 1 A 21 21 GLU HA H 21 5.040 5.466 -0.426 1
1 154 . 3 1 1 A 21 21 GLU C C 21 176.200 174.450 1.750 1
1 155 . 3 1 1 A 21 21 GLU CA C 21 53.700 54.743 -1.043 1
1 156 . 3 1 1 A 21 21 GLU CB C 21 33.600 33.650 -0.050 1
1 158 . 3 1 1 A 21 21 GLU N N 21 120.800 118.912 1.888 1
1 159 . 3 1 1 A 22 22 LEU H H 22 8.590 8.290 0.300 1
1 160 . 3 1 1 A 22 22 LEU HA H 22 4.420 4.200 0.220 1
1 170 . 3 1 1 A 22 22 LEU C C 22 175.200 177.072 -1.872 1
1 171 . 3 1 1 A 22 22 LEU CA C 22 54.900 55.001 -0.101 1
1 172 . 3 1 1 A 22 22 LEU CB C 22 41.000 41.567 -0.567 1
1 176 . 3 1 1 A 22 22 LEU N N 22 127.900 124.522 3.378 1
1 177 . 3 1 1 A 23 23 VAL H H 23 8.350 8.769 -0.419 1
1 178 . 3 1 1 A 23 23 VAL HA H 23 4.460 4.344 0.116 1
1 186 . 3 1 1 A 23 23 VAL C C 23 175.500 175.718 -0.218 1
1 187 . 3 1 1 A 23 23 VAL CA C 23 62.100 62.589 -0.489 1
1 188 . 3 1 1 A 23 23 VAL CB C 23 32.600 32.383 0.217 1
1 191 . 3 1 1 A 23 23 VAL N N 23 122.700 121.764 0.936 1
1 192 . 3 1 1 A 24 24 HIS H H 24 7.590 7.265 0.325 1
1 193 . 3 1 1 A 24 24 HIS HA H 24 4.750 4.826 -0.076 1
1 197 . 3 1 1 A 24 24 HIS CA C 24 56.800 56.267 0.533 1
1 198 . 3 1 1 A 24 24 HIS CB C 24 34.800 33.072 1.728 1
1 200 . 3 1 1 A 24 24 HIS N N 24 118.300 120.823 -2.523 1
1 201 . 3 1 1 A 25 25 ASN HA H 25 5.070 5.830 -0.760 1
1 206 . 3 1 1 A 25 25 ASN C C 25 172.500 173.392 -0.892 1
1 207 . 3 1 1 A 25 25 ASN CA C 25 52.000 51.953 0.047 1
1 208 . 3 1 1 A 25 25 ASN CB C 25 40.400 42.745 -2.345 1
1 210 . 3 1 1 A 26 26 PHE H H 26 9.000 8.912 0.088 1
1 211 . 3 1 1 A 26 26 PHE HA H 26 4.540 4.832 -0.292 1
1 219 . 3 1 1 A 26 26 PHE C C 26 174.500 174.801 -0.301 1
1 220 . 3 1 1 A 26 26 PHE CA C 26 57.100 57.366 -0.266 1
1 221 . 3 1 1 A 26 26 PHE CB C 26 40.900 41.803 -0.903 1
1 225 . 3 1 1 A 26 26 PHE N N 26 128.200 125.295 2.905 1
1 226 . 3 1 1 A 27 27 LYS H H 27 8.700 8.986 -0.286 1
1 227 . 3 1 1 A 27 27 LYS HA H 27 3.290 3.901 -0.611 1
1 236 . 3 1 1 A 27 27 LYS C C 27 174.500 175.203 -0.703 1
1 237 . 3 1 1 A 27 27 LYS CA C 27 56.800 57.335 -0.535 1
1 238 . 3 1 1 A 27 27 LYS CB C 27 29.500 31.642 -2.142 1
1 242 . 3 1 1 A 27 27 LYS N N 27 126.000 126.724 -0.724 1
1 243 . 3 1 1 A 28 28 ASP H H 28 8.560 8.566 -0.006 1
1 244 . 3 1 1 A 28 28 ASP HA H 28 4.080 4.406 -0.326 1
1 247 . 3 1 1 A 28 28 ASP C C 28 174.700 176.836 -2.136 1
1 248 . 3 1 1 A 28 28 ASP CA C 28 54.800 55.673 -0.873 1
1 249 . 3 1 1 A 28 28 ASP CB C 28 39.100 38.789 0.311 1
1 250 . 3 1 1 A 28 28 ASP N N 28 112.300 113.109 -0.809 1
1 251 . 3 1 1 A 29 29 GLY H H 29 7.160 7.888 -0.728 1
1 252 . 3 1 1 A 29 29 GLY HA2 H 29 3.490 3.866 -0.376 1
1 253 . 3 1 1 A 29 29 GLY HA3 H 29 3.780 4.117 -0.337 1
1 254 . 3 1 1 A 29 29 GLY C C 29 174.800 174.401 0.399 1
1 255 . 3 1 1 A 29 29 GLY CA C 29 47.600 45.454 2.146 1
1 256 . 3 1 1 A 29 29 GLY N N 29 101.900 104.994 -3.094 1
1 257 . 3 1 1 A 30 30 PHE H H 30 9.400 7.923 1.477 1
1 258 . 3 1 1 A 30 30 PHE HA H 30 3.380 4.436 -1.056 1
1 266 . 3 1 1 A 30 30 PHE CA C 30 60.700 56.692 4.008 1
1 267 . 3 1 1 A 30 30 PHE CB C 30 37.700 39.196 -1.496 1
1 271 . 3 1 1 A 30 30 PHE N N 30 120.800 121.426 -0.626 1
1 272 . 3 1 1 A 31 31 ASN H H 31 5.090 8.404 -3.314 1
1 273 . 3 1 1 A 31 31 ASN HA H 31 4.220 4.946 -0.726 1
1 276 . 3 1 1 A 31 31 ASN CA C 31 52.400 51.709 0.691 1
1 277 . 3 1 1 A 31 31 ASN CB C 31 41.100 40.475 0.625 1
1 278 . 3 1 1 A 31 31 ASN N N 31 125.400 125.569 -0.169 1
1 279 . 3 1 1 A 32 32 GLU HA H 32 3.290 3.468 -0.178 1
1 284 . 3 1 1 A 32 32 GLU C C 32 176.900 177.968 -1.068 1
1 285 . 3 1 1 A 32 32 GLU CA C 32 60.600 60.034 0.566 1
1 286 . 3 1 1 A 32 32 GLU CB C 32 29.500 29.328 0.172 1
1 288 . 3 1 1 A 33 33 GLU H H 33 8.320 8.291 0.029 1
1 289 . 3 1 1 A 33 33 GLU HA H 33 3.880 4.079 -0.199 1
1 294 . 3 1 1 A 33 33 GLU C C 33 179.300 178.889 0.411 1
1 295 . 3 1 1 A 33 33 GLU CA C 33 59.600 59.268 0.332 1
1 296 . 3 1 1 A 33 33 GLU CB C 33 28.700 29.419 -0.719 1
1 298 . 3 1 1 A 33 33 GLU N N 33 119.000 117.604 1.396 1
1 299 . 3 1 1 A 34 34 ALA H H 34 8.330 7.684 0.646 1
1 300 . 3 1 1 A 34 34 ALA HA H 34 4.130 4.151 -0.021 1
1 304 . 3 1 1 A 34 34 ALA C C 34 179.600 179.781 -0.181 1
1 305 . 3 1 1 A 34 34 ALA CA C 34 54.400 54.898 -0.498 1
1 306 . 3 1 1 A 34 34 ALA CB C 34 18.400 18.556 -0.156 1
1 307 . 3 1 1 A 34 34 ALA N N 34 122.200 121.925 0.275 1
1 308 . 3 1 1 A 35 35 PHE H H 35 8.040 8.230 -0.190 1
1 309 . 3 1 1 A 35 35 PHE HA H 35 4.020 4.308 -0.288 1
1 317 . 3 1 1 A 35 35 PHE C C 35 176.100 177.390 -1.290 1
1 318 . 3 1 1 A 35 35 PHE CA C 35 61.000 61.099 -0.099 1
1 319 . 3 1 1 A 35 35 PHE CB C 35 39.000 39.209 -0.209 1
1 323 . 3 1 1 A 35 35 PHE N N 35 117.100 120.473 -3.373 1
1 324 . 3 1 1 A 36 36 LYS H H 36 8.490 8.482 0.008 1
1 325 . 3 1 1 A 36 36 LYS HA H 36 3.320 3.813 -0.493 1
1 334 . 3 1 1 A 36 36 LYS C C 36 178.000 178.588 -0.588 1
1 335 . 3 1 1 A 36 36 LYS CA C 36 59.800 58.961 0.839 1
1 336 . 3 1 1 A 36 36 LYS CB C 36 32.100 31.920 0.180 1
1 340 . 3 1 1 A 36 36 LYS N N 36 118.100 118.564 -0.464 1
1 341 . 3 1 1 A 37 37 ALA H H 37 7.450 7.765 -0.315 1
1 342 . 3 1 1 A 37 37 ALA HA H 37 4.130 4.080 0.050 1
1 346 . 3 1 1 A 37 37 ALA C C 37 178.500 178.446 0.054 1
1 347 . 3 1 1 A 37 37 ALA CA C 37 53.600 54.233 -0.633 1
1 348 . 3 1 1 A 37 37 ALA CB C 37 18.500 18.432 0.068 1
1 349 . 3 1 1 A 37 37 ALA N N 37 117.700 120.910 -3.210 1
1 350 . 3 1 1 A 38 38 ARG H H 38 7.160 7.286 -0.126 1
1 351 . 3 1 1 A 38 38 ARG HA H 38 4.340 4.467 -0.127 1
1 358 . 3 1 1 A 38 38 ARG C C 38 175.400 175.552 -0.152 1
1 359 . 3 1 1 A 38 38 ARG CA C 38 54.200 55.218 -1.018 1
1 360 . 3 1 1 A 38 38 ARG CB C 38 31.400 30.989 0.411 1
1 363 . 3 1 1 A 38 38 ARG N N 38 114.800 114.902 -0.102 1
1 364 . 3 1 1 A 39 39 TYR H H 39 7.510 7.628 -0.118 1
1 365 . 3 1 1 A 39 39 TYR HA H 39 3.350 4.310 -0.960 1
1 372 . 3 1 1 A 39 39 TYR C C 39 173.700 174.839 -1.139 1
1 373 . 3 1 1 A 39 39 TYR CA C 39 60.800 58.527 2.273 1
1 374 . 3 1 1 A 39 39 TYR CB C 39 38.000 38.546 -0.546 1
1 377 . 3 1 1 A 39 39 TYR N N 39 122.600 123.546 -0.946 1
1 378 . 3 1 1 A 40 40 SER H H 40 5.730 8.506 -2.776 1
1 379 . 3 1 1 A 40 40 SER HA H 40 4.470 4.384 0.086 1
1 382 . 3 1 1 A 40 40 SER CA C 40 56.100 58.889 -2.789 1
1 383 . 3 1 1 A 40 40 SER CB C 40 65.100 63.544 1.556 1
1 384 . 3 1 1 A 40 40 SER N N 40 119.100 124.634 -5.534 1
1 385 . 3 1 1 A 41 41 ASP HA H 41 4.210 4.286 -0.076 1
1 388 . 3 1 1 A 41 41 ASP CA C 41 56.700 57.568 -0.868 1
1 389 . 3 1 1 A 41 41 ASP CB C 41 40.500 40.222 0.278 1
1 390 . 3 1 1 A 42 42 ILE HA H 42 4.030 3.856 0.174 1
1 400 . 3 1 1 A 42 42 ILE C C 42 176.600 177.908 -1.308 1
1 401 . 3 1 1 A 42 42 ILE CA C 42 63.200 63.378 -0.178 1
1 402 . 3 1 1 A 42 42 ILE CB C 42 37.600 37.568 0.032 1
1 406 . 3 1 1 A 43 43 LEU H H 43 7.700 7.982 -0.282 1
1 407 . 3 1 1 A 43 43 LEU HA H 43 4.560 4.217 0.343 1
1 417 . 3 1 1 A 43 43 LEU C C 43 178.000 179.446 -1.446 1
1 418 . 3 1 1 A 43 43 LEU CA C 43 54.700 57.746 -3.046 1
1 419 . 3 1 1 A 43 43 LEU CB C 43 40.800 40.316 0.484 1
1 423 . 3 1 1 A 43 43 LEU N N 43 117.500 120.922 -3.422 1
1 424 . 3 1 1 A 44 44 ASN H H 44 7.870 8.304 -0.434 1
1 425 . 3 1 1 A 44 44 ASN HA H 44 4.480 4.850 -0.370 1
1 428 . 3 1 1 A 44 44 ASN CA C 44 55.300 56.032 -0.732 1
1 429 . 3 1 1 A 44 44 ASN CB C 44 38.200 39.281 -1.081 1
1 430 . 3 1 1 A 44 44 ASN N N 44 118.400 118.212 0.188 1
1 431 . 3 1 1 A 45 45 LYS HA H 45 4.200 4.078 0.122 1
1 440 . 3 1 1 A 45 45 LYS C C 45 176.200 177.686 -1.486 1
1 441 . 3 1 1 A 45 45 LYS CA C 45 56.500 58.822 -2.322 1
1 442 . 3 1 1 A 45 45 LYS CB C 45 32.000 31.964 0.036 1
1 446 . 3 1 1 A 46 46 TYR H H 46 6.770 7.816 -1.046 1
1 447 . 3 1 1 A 46 46 TYR HA H 46 3.900 4.006 -0.106 1
1 454 . 3 1 1 A 46 46 TYR C C 46 175.500 174.760 0.740 1
1 455 . 3 1 1 A 46 46 TYR CA C 46 59.200 57.633 1.567 1
1 456 . 3 1 1 A 46 46 TYR CB C 46 38.700 38.574 0.126 1
1 459 . 3 1 1 A 46 46 TYR N N 46 117.400 115.575 1.825 1
1 460 . 3 1 1 A 47 47 ASP H H 47 7.540 8.024 -0.484 1
1 461 . 3 1 1 A 47 47 ASP HA H 47 4.880 4.376 0.504 1
1 464 . 3 1 1 A 47 47 ASP C C 47 175.100 174.140 0.960 1
1 465 . 3 1 1 A 47 47 ASP CA C 47 56.100 55.899 0.201 1
1 466 . 3 1 1 A 47 47 ASP CB C 47 43.100 39.338 3.762 1
1 467 . 3 1 1 A 47 47 ASP N N 47 118.300 117.062 1.238 1
1 468 . 3 1 1 A 48 48 TYR H H 48 8.640 8.018 0.622 1
1 469 . 3 1 1 A 48 48 TYR HA H 48 5.670 5.472 0.198 1
1 476 . 3 1 1 A 48 48 TYR C C 48 174.700 175.014 -0.314 1
1 477 . 3 1 1 A 48 48 TYR CA C 48 55.900 56.572 -0.672 1
1 478 . 3 1 1 A 48 48 TYR CB C 48 43.500 42.899 0.601 1
1 481 . 3 1 1 A 48 48 TYR N N 48 116.700 118.600 -1.900 1
1 482 . 3 1 1 A 49 49 ILE H H 49 9.130 9.360 -0.230 1
1 483 . 3 1 1 A 49 49 ILE HA H 49 4.660 4.808 -0.148 1
1 493 . 3 1 1 A 49 49 ILE C C 49 173.900 174.334 -0.434 1
1 494 . 3 1 1 A 49 49 ILE CA C 49 59.400 60.467 -1.067 1
1 495 . 3 1 1 A 49 49 ILE CB C 49 40.700 40.614 0.086 1
1 499 . 3 1 1 A 49 49 ILE N N 49 119.500 123.291 -3.791 1
1 500 . 3 1 1 A 50 50 VAL H H 50 9.220 9.134 0.086 1
1 501 . 3 1 1 A 50 50 VAL HA H 50 4.860 5.297 -0.437 1
1 509 . 3 1 1 A 50 50 VAL C C 50 175.200 173.143 2.057 1
1 510 . 3 1 1 A 50 50 VAL CA C 50 60.100 59.540 0.560 1
1 511 . 3 1 1 A 50 50 VAL CB C 50 33.400 34.826 -1.426 1
1 514 . 3 1 1 A 50 50 VAL N N 50 128.600 128.678 -0.078 1
1 515 . 3 1 1 A 51 51 GLY H H 51 7.860 8.060 -0.200 1
1 516 . 3 1 1 A 51 51 GLY HA2 H 51 5.420 3.712 1.708 1
1 517 . 3 1 1 A 51 51 GLY HA3 H 51 2.080 4.022 -1.942 1
1 518 . 3 1 1 A 51 51 GLY C C 51 170.700 172.035 -1.335 1
1 519 . 3 1 1 A 51 51 GLY CA C 51 43.600 44.101 -0.501 1
1 520 . 3 1 1 A 51 51 GLY N N 51 116.100 114.010 2.090 1
1 521 . 3 1 1 A 52 52 ASP H H 52 8.940 8.471 0.469 1
1 522 . 3 1 1 A 52 52 ASP HA H 52 5.540 5.511 0.029 1
1 525 . 3 1 1 A 52 52 ASP C C 52 174.200 176.023 -1.823 1
1 526 . 3 1 1 A 52 52 ASP CA C 52 53.000 52.104 0.896 1
1 527 . 3 1 1 A 52 52 ASP CB C 52 47.100 44.014 3.086 1
1 528 . 3 1 1 A 52 52 ASP N N 52 121.200 120.801 0.399 1
1 529 . 3 1 1 A 53 53 TRP H H 53 7.980 9.116 -1.136 1
1 530 . 3 1 1 A 53 53 TRP HA H 53 4.950 4.973 -0.023 1
1 539 . 3 1 1 A 53 53 TRP C C 53 178.500 177.506 0.994 1
1 540 . 3 1 1 A 53 53 TRP CA C 53 56.200 57.190 -0.990 1
1 541 . 3 1 1 A 53 53 TRP CB C 53 28.500 29.549 -1.049 1
1 547 . 3 1 1 A 53 53 TRP N N 53 119.900 120.132 -0.232 1
1 549 . 3 1 1 A 54 54 GLY H H 54 10.320 8.562 1.758 1
1 550 . 3 1 1 A 54 54 GLY HA2 H 54 4.020 3.885 0.135 1
1 551 . 3 1 1 A 54 54 GLY HA3 H 54 4.020 3.894 0.126 1
1 552 . 3 1 1 A 54 54 GLY CA C 54 48.600 47.610 0.990 1
1 553 . 3 1 1 A 54 54 GLY N N 54 115.400 109.574 5.826 1
1 554 . 3 1 1 A 55 55 TYR HA H 55 4.890 4.456 0.434 1
1 561 . 3 1 1 A 55 55 TYR CA C 55 56.800 61.342 -4.542 1
1 562 . 3 1 1 A 55 55 TYR CB C 55 38.100 39.127 -1.027 1
1 565 . 3 1 1 A 56 56 GLY HA2 H 56 3.850 3.994 -0.144 1
1 566 . 3 1 1 A 56 56 GLY HA3 H 56 4.360 4.165 0.195 1
1 567 . 3 1 1 A 56 56 GLY C C 56 173.100 174.910 -1.810 1
1 568 . 3 1 1 A 56 56 GLY CA C 56 45.600 45.432 0.168 1
1 569 . 3 1 1 A 57 57 GLN H H 57 7.380 8.057 -0.677 1
1 570 . 3 1 1 A 57 57 GLN HA H 57 4.660 4.349 0.311 1
1 576 . 3 1 1 A 57 57 GLN C C 57 173.800 175.548 -1.748 1
1 577 . 3 1 1 A 57 57 GLN CA C 57 53.400 55.909 -2.509 1
1 578 . 3 1 1 A 57 57 GLN CB C 57 31.600 28.946 2.654 1
1 580 . 3 1 1 A 57 57 GLN N N 57 116.300 120.913 -4.613 1
1 582 . 3 1 1 A 58 58 LEU H H 58 8.100 8.462 -0.362 1
1 583 . 3 1 1 A 58 58 LEU HA H 58 3.250 4.117 -0.867 1
1 593 . 3 1 1 A 58 58 LEU C C 58 174.200 175.279 -1.079 1
1 594 . 3 1 1 A 58 58 LEU CA C 58 55.500 55.672 -0.172 1
1 595 . 3 1 1 A 58 58 LEU CB C 58 39.900 41.440 -1.540 1
1 599 . 3 1 1 A 58 58 LEU N N 58 124.400 128.448 -4.048 1
1 600 . 3 1 1 A 59 59 ARG H H 59 8.360 8.034 0.326 1
1 601 . 3 1 1 A 59 59 ARG HA H 59 4.470 4.963 -0.493 1
1 608 . 3 1 1 A 59 59 ARG C C 59 174.000 174.332 -0.332 1
1 609 . 3 1 1 A 59 59 ARG CA C 59 54.200 54.244 -0.044 1
1 610 . 3 1 1 A 59 59 ARG CB C 59 33.000 33.880 -0.880 1
1 613 . 3 1 1 A 59 59 ARG N N 59 130.500 127.766 2.734 1
1 614 . 3 1 1 A 60 60 LEU H H 60 8.480 8.499 -0.019 1
1 615 . 3 1 1 A 60 60 LEU HA H 60 5.260 5.043 0.217 1
1 625 . 3 1 1 A 60 60 LEU C C 60 176.000 175.970 0.030 1
1 626 . 3 1 1 A 60 60 LEU CA C 60 52.500 53.174 -0.674 1
1 627 . 3 1 1 A 60 60 LEU CB C 60 44.200 43.482 0.718 1
1 631 . 3 1 1 A 60 60 LEU N N 60 122.400 128.126 -5.726 1
1 632 . 3 1 1 A 61 61 LYS H H 61 8.900 8.668 0.232 1
1 633 . 3 1 1 A 61 61 LYS HA H 61 4.160 4.597 -0.437 1
1 642 . 3 1 1 A 61 61 LYS C C 61 174.200 174.150 0.050 1
1 643 . 3 1 1 A 61 61 LYS CA C 61 54.800 54.404 0.396 1
1 644 . 3 1 1 A 61 61 LYS CB C 61 36.600 36.118 0.482 1
1 648 . 3 1 1 A 61 61 LYS N N 61 123.800 121.601 2.199 1
1 649 . 3 1 1 A 62 62 GLY H H 62 8.140 8.121 0.019 1
1 650 . 3 1 1 A 62 62 GLY HA2 H 62 4.160 3.556 0.604 1
1 651 . 3 1 1 A 62 62 GLY HA3 H 62 4.160 3.954 0.206 1
1 652 . 3 1 1 A 62 62 GLY C C 62 172.000 171.918 0.082 1
1 653 . 3 1 1 A 62 62 GLY CA C 62 43.000 43.421 -0.421 1
1 654 . 3 1 1 A 62 62 GLY N N 62 114.000 111.279 2.721 1
1 655 . 3 1 1 A 63 63 PHE H H 63 8.500 8.385 0.115 1
1 656 . 3 1 1 A 63 63 PHE HA H 63 4.800 5.181 -0.381 1
1 664 . 3 1 1 A 63 63 PHE C C 63 175.400 174.246 1.154 1
1 665 . 3 1 1 A 63 63 PHE CA C 63 55.800 56.127 -0.327 1
1 666 . 3 1 1 A 63 63 PHE CB C 63 46.200 43.890 2.310 1
1 670 . 3 1 1 A 63 63 PHE N N 63 118.600 121.196 -2.596 1
1 671 . 3 1 1 A 64 64 PHE H H 64 9.930 8.972 0.958 1
1 672 . 3 1 1 A 64 64 PHE HA H 64 5.460 5.242 0.218 1
1 679 . 3 1 1 A 64 64 PHE C C 64 175.600 174.721 0.879 1
1 680 . 3 1 1 A 64 64 PHE CA C 64 57.500 56.547 0.953 1
1 681 . 3 1 1 A 64 64 PHE CB C 64 43.100 43.173 -0.073 1
1 684 . 3 1 1 A 64 64 PHE N N 64 120.100 117.844 2.256 1
1 685 . 3 1 1 A 65 65 ASP H H 65 10.950 9.131 1.819 1
1 686 . 3 1 1 A 65 65 ASP HA H 65 4.860 4.666 0.194 1
1 689 . 3 1 1 A 65 65 ASP C C 65 177.400 176.031 1.369 1
1 690 . 3 1 1 A 65 65 ASP CA C 65 56.400 53.722 2.678 1
1 691 . 3 1 1 A 65 65 ASP CB C 65 42.800 40.475 2.325 1
1 692 . 3 1 1 A 65 65 ASP N N 65 123.200 120.699 2.501 1
1 693 . 3 1 1 A 66 66 ASP H H 66 8.470 8.938 -0.468 1
1 694 . 3 1 1 A 66 66 ASP HA H 66 4.110 4.321 -0.211 1
1 697 . 3 1 1 A 66 66 ASP C C 66 175.300 176.469 -1.169 1
1 698 . 3 1 1 A 66 66 ASP CA C 66 57.800 57.221 0.579 1
1 699 . 3 1 1 A 66 66 ASP CB C 66 42.000 40.711 1.289 1
1 700 . 3 1 1 A 66 66 ASP N N 66 122.800 125.172 -2.372 1
1 701 . 3 1 1 A 67 67 GLN H H 67 8.500 7.854 0.646 1
1 702 . 3 1 1 A 67 67 GLN HA H 67 4.250 4.063 0.187 1
1 707 . 3 1 1 A 67 67 GLN C C 67 175.900 174.440 1.460 1
1 708 . 3 1 1 A 67 67 GLN CA C 67 55.400 57.503 -2.103 1
1 709 . 3 1 1 A 67 67 GLN CB C 67 28.300 26.634 1.666 1
1 711 . 3 1 1 A 68 68 ASN H H 68 7.880 8.000 -0.120 1
1 712 . 3 1 1 A 68 68 ASN HA H 68 4.430 4.812 -0.382 1
1 714 . 3 1 1 A 68 68 ASN CA C 68 53.300 52.096 1.204 1
1 715 . 3 1 1 A 68 68 ASN CB C 68 39.300 37.294 2.006 1
1 716 . 3 1 1 A 68 68 ASN N N 68 121.500 118.680 2.820 1
1 722 . 3 1 1 A 73 73 PHE HA H 73 4.190 5.118 -0.928 1
1 730 . 3 1 1 A 73 73 PHE CA C 73 61.300 55.881 5.419 1
1 731 . 3 1 1 A 73 73 PHE CB C 73 38.600 42.479 -3.879 1
1 735 . 3 1 1 A 74 74 GLU HA H 74 4.290 4.200 0.090 1
1 738 . 3 1 1 A 74 74 GLU CA C 74 56.800 58.774 -1.974 1
1 739 . 3 1 1 A 74 74 GLU CB C 74 29.900 29.788 0.112 1
1 741 . 3 1 1 A 75 75 THR HA H 75 4.180 4.951 -0.771 1
1 746 . 3 1 1 A 75 75 THR C C 75 174.100 173.963 0.137 1
1 747 . 3 1 1 A 75 75 THR CA C 75 60.700 62.095 -1.395 1
1 748 . 3 1 1 A 75 75 THR CB C 75 69.800 69.515 0.285 1
1 750 . 3 1 1 A 76 76 LYS HA H 76 3.880 4.529 -0.649 1
1 759 . 3 1 1 A 76 76 LYS CA C 76 55.900 56.143 -0.243 1
1 760 . 3 1 1 A 76 76 LYS CB C 76 32.100 32.987 -0.887 1
1 764 . 3 1 1 A 77 77 ILE H H 77 9.060 8.812 0.248 1
1 765 . 3 1 1 A 77 77 ILE HA H 77 3.850 4.496 -0.646 1
1 775 . 3 1 1 A 77 77 ILE C C 77 175.900 175.835 0.065 1
1 776 . 3 1 1 A 77 77 ILE CA C 77 59.600 59.908 -0.308 1
1 777 . 3 1 1 A 77 77 ILE CB C 77 38.400 39.275 -0.875 1
1 781 . 3 1 1 A 77 77 ILE N N 77 126.900 125.549 1.351 1
1 782 . 3 1 1 A 78 78 SER H H 78 8.730 9.279 -0.549 1
1 783 . 3 1 1 A 78 78 SER HA H 78 4.140 4.192 -0.052 1
1 786 . 3 1 1 A 78 78 SER C C 78 176.200 176.465 -0.265 1
1 787 . 3 1 1 A 78 78 SER CA C 78 60.800 61.292 -0.492 1
1 788 . 3 1 1 A 78 78 SER CB C 78 61.200 62.694 -1.494 1
1 789 . 3 1 1 A 78 78 SER N N 78 119.000 123.198 -4.198 1
1 790 . 3 1 1 A 79 79 THR H H 79 8.050 7.821 0.229 1
1 791 . 3 1 1 A 79 79 THR HA H 79 4.580 4.005 0.575 1
1 796 . 3 1 1 A 79 79 THR C C 79 174.400 175.911 -1.511 1
1 797 . 3 1 1 A 79 79 THR CA C 79 62.200 65.021 -2.821 1
1 798 . 3 1 1 A 79 79 THR CB C 79 69.300 68.580 0.720 1
1 800 . 3 1 1 A 79 79 THR N N 79 114.300 115.707 -1.407 1
1 801 . 3 1 1 A 80 80 LEU H H 80 7.470 7.762 -0.292 1
1 802 . 3 1 1 A 80 80 LEU HA H 80 3.580 3.553 0.027 1
1 812 . 3 1 1 A 80 80 LEU C C 80 176.500 177.944 -1.444 1
1 813 . 3 1 1 A 80 80 LEU CA C 80 58.400 57.353 1.047 1
1 814 . 3 1 1 A 80 80 LEU CB C 80 41.800 41.842 -0.042 1
1 818 . 3 1 1 A 80 80 LEU N N 80 123.200 121.658 1.542 1
1 819 . 3 1 1 A 81 81 ASP H H 81 8.450 7.679 0.771 1
1 820 . 3 1 1 A 81 81 ASP HA H 81 4.060 4.185 -0.125 1
1 823 . 3 1 1 A 81 81 ASP C C 81 178.700 178.463 0.237 1
1 824 . 3 1 1 A 81 81 ASP CA C 81 57.600 57.991 -0.391 1
1 825 . 3 1 1 A 81 81 ASP CB C 81 39.500 41.946 -2.446 1
1 826 . 3 1 1 A 81 81 ASP N N 81 116.000 119.329 -3.329 1
1 827 . 3 1 1 A 82 82 GLU H H 82 7.800 7.670 0.130 1
1 828 . 3 1 1 A 82 82 GLU HA H 82 4.030 4.035 -0.005 1
1 833 . 3 1 1 A 82 82 GLU C C 82 178.500 178.761 -0.261 1
1 834 . 3 1 1 A 82 82 GLU CA C 82 59.100 59.306 -0.206 1
1 835 . 3 1 1 A 82 82 GLU CB C 82 29.300 29.455 -0.155 1
1 837 . 3 1 1 A 82 82 GLU N N 82 120.400 118.880 1.520 1
1 838 . 3 1 1 A 83 83 TYR H H 83 8.190 8.025 0.165 1
1 839 . 3 1 1 A 83 83 TYR HA H 83 4.410 4.183 0.227 1
1 846 . 3 1 1 A 83 83 TYR C C 83 176.700 177.261 -0.561 1
1 847 . 3 1 1 A 83 83 TYR CA C 83 60.900 61.058 -0.158 1
1 848 . 3 1 1 A 83 83 TYR CB C 83 37.600 38.529 -0.929 1
1 851 . 3 1 1 A 83 83 TYR N N 83 122.900 121.833 1.067 1
1 852 . 3 1 1 A 84 84 ILE H H 84 8.400 8.535 -0.135 1
1 853 . 3 1 1 A 84 84 ILE HA H 84 3.240 3.434 -0.194 1
1 863 . 3 1 1 A 84 84 ILE C C 84 178.000 177.732 0.268 1
1 864 . 3 1 1 A 84 84 ILE CA C 84 60.800 65.301 -4.501 1
1 865 . 3 1 1 A 84 84 ILE CB C 84 35.500 37.646 -2.146 1
1 869 . 3 1 1 A 84 84 ILE N N 84 119.100 120.422 -1.322 1
1 870 . 3 1 1 A 85 85 TYR H H 85 7.820 8.112 -0.292 1
1 871 . 3 1 1 A 85 85 TYR HA H 85 3.910 3.934 -0.024 1
1 878 . 3 1 1 A 85 85 TYR C C 85 176.800 177.635 -0.835 1
1 879 . 3 1 1 A 85 85 TYR CA C 85 60.700 61.080 -0.380 1
1 880 . 3 1 1 A 85 85 TYR CB C 85 37.900 38.688 -0.788 1
1 883 . 3 1 1 A 85 85 TYR N N 85 119.100 120.689 -1.589 1
1 884 . 3 1 1 A 86 86 GLU H H 86 7.660 8.156 -0.496 1
1 885 . 3 1 1 A 86 86 GLU HA H 86 3.690 3.928 -0.238 1
1 890 . 3 1 1 A 86 86 GLU C C 86 177.900 177.594 0.306 1
1 891 . 3 1 1 A 86 86 GLU CA C 86 58.200 58.616 -0.416 1
1 892 . 3 1 1 A 86 86 GLU CB C 86 29.500 30.046 -0.546 1
1 894 . 3 1 1 A 86 86 GLU N N 86 116.700 118.848 -2.148 1
1 895 . 3 1 1 A 87 87 TYR H H 87 8.010 7.708 0.302 1
1 896 . 3 1 1 A 87 87 TYR HA H 87 4.090 4.283 -0.193 1
1 903 . 3 1 1 A 87 87 TYR C C 87 176.000 176.575 -0.575 1
1 904 . 3 1 1 A 87 87 TYR CA C 87 60.100 59.846 0.254 1
1 905 . 3 1 1 A 87 87 TYR CB C 87 37.300 39.183 -1.883 1
1 908 . 3 1 1 A 87 87 TYR N N 87 114.900 117.148 -2.248 1
1 909 . 3 1 1 A 88 88 CYS H H 88 8.300 7.795 0.505 1
1 910 . 3 1 1 A 88 88 CYS HA H 88 4.760 4.774 -0.014 1
1 913 . 3 1 1 A 88 88 CYS CA C 88 53.500 55.081 -1.581 1
1 914 . 3 1 1 A 88 88 CYS CB C 88 42.000 40.753 1.247 1
1 915 . 3 1 1 A 88 88 CYS N N 88 119.700 116.693 3.007 1
1 916 . 3 1 1 A 89 89 ASN C C 89 176.500 174.829 1.671 1
1 917 . 3 1 1 A 90 90 PHE HA H 90 4.590 4.814 -0.224 1
1 925 . 3 1 1 A 90 90 PHE CA C 90 57.400 56.843 0.557 1
1 926 . 3 1 1 A 90 90 PHE CB C 90 38.200 41.877 -3.677 1
1 930 . 3 1 1 A 92 92 CYS HA H 92 4.660 5.009 -0.349 1
1 933 . 3 1 1 A 92 92 CYS C C 92 172.000 172.558 -0.558 1
1 934 . 3 1 1 A 92 92 CYS CA C 92 55.000 54.553 0.447 1
1 935 . 3 1 1 A 92 92 CYS CB C 92 47.400 44.178 3.222 1
1 936 . 3 1 1 A 93 93 ALA H H 93 8.670 8.616 0.054 1
1 937 . 3 1 1 A 93 93 ALA HA H 93 4.520 5.380 -0.860 1
1 941 . 3 1 1 A 93 93 ALA C C 93 177.400 175.697 1.703 1
1 942 . 3 1 1 A 93 93 ALA CA C 93 52.400 50.977 1.423 1
1 943 . 3 1 1 A 93 93 ALA CB C 93 19.800 24.511 -4.711 1
1 944 . 3 1 1 A 93 93 ALA N N 93 126.000 121.691 4.309 1
1 945 . 3 1 1 A 94 94 TYR H H 94 8.460 8.985 -0.525 1
1 946 . 3 1 1 A 94 94 TYR HA H 94 5.570 5.663 -0.093 1
1 953 . 3 1 1 A 94 94 TYR C C 94 171.500 173.518 -2.018 1
1 954 . 3 1 1 A 94 94 TYR CA C 94 57.200 56.431 0.769 1
1 955 . 3 1 1 A 94 94 TYR CB C 94 39.800 40.591 -0.791 1
1 958 . 3 1 1 A 94 94 TYR N N 94 116.200 115.965 0.235 1
1 959 . 3 1 1 A 95 95 PHE H H 95 9.220 8.792 0.428 1
1 960 . 3 1 1 A 95 95 PHE HA H 95 5.280 5.694 -0.414 1
1 967 . 3 1 1 A 95 95 PHE C C 95 172.900 173.159 -0.259 1
1 968 . 3 1 1 A 95 95 PHE CA C 95 55.200 55.684 -0.484 1
1 969 . 3 1 1 A 95 95 PHE CB C 95 42.400 43.273 -0.873 1
1 972 . 3 1 1 A 95 95 PHE N N 95 114.100 116.975 -2.875 1
1 973 . 3 1 1 A 96 96 VAL H H 96 9.130 9.219 -0.089 1
1 974 . 3 1 1 A 96 96 VAL HA H 96 4.860 4.971 -0.111 1
1 982 . 3 1 1 A 96 96 VAL C C 96 174.800 174.612 0.188 1
1 983 . 3 1 1 A 96 96 VAL CA C 96 61.400 61.380 0.020 1
1 984 . 3 1 1 A 96 96 VAL CB C 96 35.100 34.528 0.572 1
1 987 . 3 1 1 A 96 96 VAL N N 96 118.400 121.251 -2.851 1
1 988 . 3 1 1 A 97 97 LEU H H 97 9.610 9.606 0.004 1
1 989 . 3 1 1 A 97 97 LEU HA H 97 5.380 5.501 -0.121 1
1 999 . 3 1 1 A 97 97 LEU C C 97 175.700 175.313 0.387 1
1 1000 . 3 1 1 A 97 97 LEU CA C 97 52.100 53.105 -1.005 1
1 1001 . 3 1 1 A 97 97 LEU CB C 97 44.500 44.416 0.084 1
1 1005 . 3 1 1 A 97 97 LEU N N 97 126.100 127.582 -1.482 1
1 1006 . 3 1 1 A 98 98 LYS H H 98 9.660 8.686 0.974 1
1 1007 . 3 1 1 A 98 98 LYS HA H 98 4.740 4.853 -0.113 1
1 1016 . 3 1 1 A 98 98 LYS C C 98 175.500 175.771 -0.271 1
1 1017 . 3 1 1 A 98 98 LYS CA C 98 54.400 54.381 0.019 1
1 1018 . 3 1 1 A 98 98 LYS CB C 98 37.500 35.073 2.427 1
1 1022 . 3 1 1 A 98 98 LYS N N 98 123.900 125.106 -1.206 1
1 1023 . 3 1 1 A 99 99 ARG H H 99 8.400 8.668 -0.268 1
1 1024 . 3 1 1 A 99 99 ARG HA H 99 4.040 4.147 -0.107 1
1 1031 . 3 1 1 A 99 99 ARG C C 99 174.800 175.463 -0.663 1
1 1032 . 3 1 1 A 99 99 ARG CA C 99 55.500 55.928 -0.428 1
1 1033 . 3 1 1 A 99 99 ARG CB C 99 30.000 30.521 -0.521 1
1 1036 . 3 1 1 A 99 99 ARG N N 99 128.700 127.570 1.130 1
1 1037 . 3 1 1 A 100 100 ILE H H 100 8.660 8.625 0.035 1
1 1038 . 3 1 1 A 100 100 ILE HA H 100 4.150 4.011 0.139 1
1 1048 . 3 1 1 A 100 100 ILE CA C 100 59.100 61.976 -2.876 1
1 1049 . 3 1 1 A 100 100 ILE CB C 100 36.300 37.907 -1.607 1
1 1053 . 3 1 1 A 100 100 ILE N N 100 130.500 128.031 2.469 1
1 1054 . 3 1 1 A 101 101 ARG C C 101 177.000 176.496 0.504 1
1 1055 . 3 1 1 A 102 102 LYS C C 102 178.900 175.590 3.310 1
1 1056 . 3 1 1 A 103 103 LEU HA H 103 4.230 4.611 -0.381 1
1 1066 . 3 1 1 A 103 103 LEU CA C 103 54.900 54.699 0.201 1
1 1067 . 3 1 1 A 103 103 LEU CB C 103 42.100 45.330 -3.230 1
1 1071 . 3 1 1 A 104 104 GLU HA H 104 4.010 5.131 -1.121 1
1 1075 . 3 1 1 A 104 104 GLU CA C 104 58.300 54.478 3.822 1
1 1076 . 3 1 1 A 104 104 GLU CB C 104 28.300 33.063 -4.763 1
1 1 . 4 1 1 A 10 10 GLU HA H 10 4.230 4.530 -0.300 1
1 6 . 4 1 1 A 10 10 GLU C C 10 176.100 174.763 1.337 1
1 7 . 4 1 1 A 10 10 GLU CA C 10 56.800 57.579 -0.779 1
1 8 . 4 1 1 A 10 10 GLU CB C 10 30.400 31.128 -0.728 1
1 10 . 4 1 1 A 11 11 ILE H H 11 8.270 7.942 0.328 1
1 11 . 4 1 1 A 11 11 ILE HA H 11 4.100 4.343 -0.243 1
1 21 . 4 1 1 A 11 11 ILE C C 11 173.900 174.486 -0.586 1
1 22 . 4 1 1 A 11 11 ILE CA C 11 60.900 60.845 0.055 1
1 23 . 4 1 1 A 11 11 ILE CB C 11 38.300 39.734 -1.434 1
1 27 . 4 1 1 A 11 11 ILE N N 11 121.800 118.737 3.063 1
1 28 . 4 1 1 A 12 12 MET H H 12 8.150 8.808 -0.658 1
1 29 . 4 1 1 A 12 12 MET HA H 12 5.250 5.563 -0.313 1
1 37 . 4 1 1 A 12 12 MET C C 12 175.500 174.853 0.647 1
1 38 . 4 1 1 A 12 12 MET CA C 12 53.100 53.575 -0.475 1
1 39 . 4 1 1 A 12 12 MET CB C 12 33.600 34.030 -0.430 1
1 42 . 4 1 1 A 12 12 MET N N 12 125.200 125.832 -0.632 1
1 43 . 4 1 1 A 13 13 ILE H H 13 9.200 9.608 -0.408 1
1 44 . 4 1 1 A 13 13 ILE HA H 13 4.400 4.776 -0.376 1
1 54 . 4 1 1 A 13 13 ILE C C 13 173.500 175.218 -1.718 1
1 55 . 4 1 1 A 13 13 ILE CA C 13 59.600 60.197 -0.597 1
1 56 . 4 1 1 A 13 13 ILE CB C 13 40.500 38.324 2.176 1
1 60 . 4 1 1 A 13 13 ILE N N 13 123.700 125.909 -2.209 1
1 61 . 4 1 1 A 14 14 LEU H H 14 8.550 9.281 -0.731 1
1 62 . 4 1 1 A 14 14 LEU HA H 14 5.200 5.562 -0.362 1
1 72 . 4 1 1 A 14 14 LEU C C 14 176.100 175.863 0.237 1
1 73 . 4 1 1 A 14 14 LEU CA C 14 53.700 53.748 -0.048 1
1 74 . 4 1 1 A 14 14 LEU CB C 14 43.700 42.670 1.030 1
1 78 . 4 1 1 A 14 14 LEU N N 14 128.800 128.655 0.145 1
1 79 . 4 1 1 A 15 15 ILE H H 15 8.780 8.947 -0.167 1
1 80 . 4 1 1 A 15 15 ILE HA H 15 4.350 4.531 -0.181 1
1 90 . 4 1 1 A 15 15 ILE CA C 15 58.700 60.183 -1.483 1
1 91 . 4 1 1 A 15 15 ILE CB C 15 39.800 41.085 -1.285 1
1 95 . 4 1 1 A 15 15 ILE N N 15 123.000 124.371 -1.371 1
1 96 . 4 1 1 A 16 16 GLN HA H 16 3.710 4.080 -0.370 1
1 100 . 4 1 1 A 16 16 GLN CA C 16 57.700 57.454 0.246 1
1 101 . 4 1 1 A 16 16 GLN CB C 16 26.500 27.206 -0.706 1
1 103 . 4 1 1 A 17 17 ASN HA H 17 4.460 4.284 0.176 1
1 108 . 4 1 1 A 17 17 ASN C C 17 173.300 173.524 -0.224 1
1 109 . 4 1 1 A 17 17 ASN CA C 17 53.900 54.819 -0.919 1
1 110 . 4 1 1 A 17 17 ASN CB C 17 38.100 36.874 1.226 1
1 112 . 4 1 1 A 18 18 ALA H H 18 8.450 7.843 0.607 1
1 113 . 4 1 1 A 18 18 ALA HA H 18 4.250 4.788 -0.538 1
1 117 . 4 1 1 A 18 18 ALA C C 18 174.000 174.889 -0.889 1
1 118 . 4 1 1 A 18 18 ALA CA C 18 51.600 50.344 1.256 1
1 119 . 4 1 1 A 18 18 ALA CB C 18 20.500 22.039 -1.539 1
1 120 . 4 1 1 A 18 18 ALA N N 18 125.200 119.378 5.822 1
1 121 . 4 1 1 A 19 19 GLU H H 19 7.930 8.289 -0.359 1
1 122 . 4 1 1 A 19 19 GLU HA H 19 5.000 4.979 0.021 1
1 127 . 4 1 1 A 19 19 GLU C C 19 174.500 175.081 -0.581 1
1 128 . 4 1 1 A 19 19 GLU CA C 19 54.400 54.954 -0.554 1
1 129 . 4 1 1 A 19 19 GLU CB C 19 32.500 32.033 0.467 1
1 131 . 4 1 1 A 19 19 GLU N N 19 121.700 122.049 -0.349 1
1 132 . 4 1 1 A 20 20 PHE H H 20 9.110 9.323 -0.213 1
1 133 . 4 1 1 A 20 20 PHE HA H 20 5.340 5.302 0.038 1
1 141 . 4 1 1 A 20 20 PHE C C 20 173.900 174.184 -0.284 1
1 142 . 4 1 1 A 20 20 PHE CA C 20 55.800 56.677 -0.877 1
1 143 . 4 1 1 A 20 20 PHE CB C 20 44.800 43.842 0.958 1
1 147 . 4 1 1 A 20 20 PHE N N 20 120.100 125.172 -5.072 1
1 148 . 4 1 1 A 21 21 GLU H H 21 9.200 9.205 -0.005 1
1 149 . 4 1 1 A 21 21 GLU HA H 21 5.040 5.173 -0.133 1
1 154 . 4 1 1 A 21 21 GLU C C 21 176.200 174.870 1.330 1
1 155 . 4 1 1 A 21 21 GLU CA C 21 53.700 54.627 -0.927 1
1 156 . 4 1 1 A 21 21 GLU CB C 21 33.600 33.368 0.232 1
1 158 . 4 1 1 A 21 21 GLU N N 21 120.800 119.388 1.412 1
1 159 . 4 1 1 A 22 22 LEU H H 22 8.590 8.382 0.208 1
1 160 . 4 1 1 A 22 22 LEU HA H 22 4.420 4.331 0.089 1
1 170 . 4 1 1 A 22 22 LEU C C 22 175.200 177.154 -1.954 1
1 171 . 4 1 1 A 22 22 LEU CA C 22 54.900 54.506 0.394 1
1 172 . 4 1 1 A 22 22 LEU CB C 22 41.000 41.780 -0.780 1
1 176 . 4 1 1 A 22 22 LEU N N 22 127.900 125.887 2.013 1
1 177 . 4 1 1 A 23 23 VAL H H 23 8.350 8.499 -0.149 1
1 178 . 4 1 1 A 23 23 VAL HA H 23 4.460 4.330 0.130 1
1 186 . 4 1 1 A 23 23 VAL C C 23 175.500 175.758 -0.258 1
1 187 . 4 1 1 A 23 23 VAL CA C 23 62.100 62.854 -0.754 1
1 188 . 4 1 1 A 23 23 VAL CB C 23 32.600 32.558 0.042 1
1 191 . 4 1 1 A 23 23 VAL N N 23 122.700 121.872 0.828 1
1 192 . 4 1 1 A 24 24 HIS H H 24 7.590 7.188 0.402 1
1 193 . 4 1 1 A 24 24 HIS HA H 24 4.750 4.869 -0.119 1
1 197 . 4 1 1 A 24 24 HIS CA C 24 56.800 56.348 0.452 1
1 198 . 4 1 1 A 24 24 HIS CB C 24 34.800 33.129 1.671 1
1 200 . 4 1 1 A 24 24 HIS N N 24 118.300 120.633 -2.333 1
1 201 . 4 1 1 A 25 25 ASN HA H 25 5.070 5.470 -0.400 1
1 206 . 4 1 1 A 25 25 ASN C C 25 172.500 172.813 -0.313 1
1 207 . 4 1 1 A 25 25 ASN CA C 25 52.000 51.913 0.087 1
1 208 . 4 1 1 A 25 25 ASN CB C 25 40.400 42.552 -2.152 1
1 210 . 4 1 1 A 26 26 PHE H H 26 9.000 8.868 0.132 1
1 211 . 4 1 1 A 26 26 PHE HA H 26 4.540 4.556 -0.016 1
1 219 . 4 1 1 A 26 26 PHE C C 26 174.500 174.614 -0.114 1
1 220 . 4 1 1 A 26 26 PHE CA C 26 57.100 57.012 0.088 1
1 221 . 4 1 1 A 26 26 PHE CB C 26 40.900 41.041 -0.141 1
1 225 . 4 1 1 A 26 26 PHE N N 26 128.200 126.923 1.277 1
1 226 . 4 1 1 A 27 27 LYS H H 27 8.700 9.215 -0.515 1
1 227 . 4 1 1 A 27 27 LYS HA H 27 3.290 3.640 -0.350 1
1 236 . 4 1 1 A 27 27 LYS C C 27 174.500 175.408 -0.908 1
1 237 . 4 1 1 A 27 27 LYS CA C 27 56.800 57.303 -0.503 1
1 238 . 4 1 1 A 27 27 LYS CB C 27 29.500 30.057 -0.557 1
1 242 . 4 1 1 A 27 27 LYS N N 27 126.000 127.593 -1.593 1
1 243 . 4 1 1 A 28 28 ASP H H 28 8.560 8.333 0.227 1
1 244 . 4 1 1 A 28 28 ASP HA H 28 4.080 4.219 -0.139 1
1 247 . 4 1 1 A 28 28 ASP C C 28 174.700 176.715 -2.015 1
1 248 . 4 1 1 A 28 28 ASP CA C 28 54.800 55.509 -0.709 1
1 249 . 4 1 1 A 28 28 ASP CB C 28 39.100 38.754 0.346 1
1 250 . 4 1 1 A 28 28 ASP N N 28 112.300 110.789 1.511 1
1 251 . 4 1 1 A 29 29 GLY H H 29 7.160 7.604 -0.444 1
1 252 . 4 1 1 A 29 29 GLY HA2 H 29 3.490 3.732 -0.242 1
1 253 . 4 1 1 A 29 29 GLY HA3 H 29 3.780 4.003 -0.223 1
1 254 . 4 1 1 A 29 29 GLY C C 29 174.800 175.379 -0.579 1
1 255 . 4 1 1 A 29 29 GLY CA C 29 47.600 47.405 0.195 1
1 256 . 4 1 1 A 29 29 GLY N N 29 101.900 106.507 -4.607 1
1 257 . 4 1 1 A 30 30 PHE H H 30 9.400 7.758 1.642 1
1 258 . 4 1 1 A 30 30 PHE HA H 30 3.380 4.155 -0.775 1
1 266 . 4 1 1 A 30 30 PHE CA C 30 60.700 56.205 4.495 1
1 267 . 4 1 1 A 30 30 PHE CB C 30 37.700 38.612 -0.912 1
1 271 . 4 1 1 A 30 30 PHE N N 30 120.800 122.381 -1.581 1
1 272 . 4 1 1 A 31 31 ASN H H 31 5.090 8.059 -2.969 1
1 273 . 4 1 1 A 31 31 ASN HA H 31 4.220 4.812 -0.592 1
1 276 . 4 1 1 A 31 31 ASN CA C 31 52.400 51.850 0.550 1
1 277 . 4 1 1 A 31 31 ASN CB C 31 41.100 39.551 1.549 1
1 278 . 4 1 1 A 31 31 ASN N N 31 125.400 125.665 -0.265 1
1 279 . 4 1 1 A 32 32 GLU HA H 32 3.290 3.450 -0.160 1
1 284 . 4 1 1 A 32 32 GLU C C 32 176.900 177.966 -1.066 1
1 285 . 4 1 1 A 32 32 GLU CA C 32 60.600 59.719 0.881 1
1 286 . 4 1 1 A 32 32 GLU CB C 32 29.500 29.315 0.185 1
1 288 . 4 1 1 A 33 33 GLU H H 33 8.320 8.351 -0.031 1
1 289 . 4 1 1 A 33 33 GLU HA H 33 3.880 4.057 -0.177 1
1 294 . 4 1 1 A 33 33 GLU C C 33 179.300 178.549 0.751 1
1 295 . 4 1 1 A 33 33 GLU CA C 33 59.600 59.087 0.513 1
1 296 . 4 1 1 A 33 33 GLU CB C 33 28.700 29.318 -0.618 1
1 298 . 4 1 1 A 33 33 GLU N N 33 119.000 117.350 1.650 1
1 299 . 4 1 1 A 34 34 ALA H H 34 8.330 7.813 0.517 1
1 300 . 4 1 1 A 34 34 ALA HA H 34 4.130 4.109 0.021 1
1 304 . 4 1 1 A 34 34 ALA C C 34 179.600 179.612 -0.012 1
1 305 . 4 1 1 A 34 34 ALA CA C 34 54.400 54.939 -0.539 1
1 306 . 4 1 1 A 34 34 ALA CB C 34 18.400 18.298 0.102 1
1 307 . 4 1 1 A 34 34 ALA N N 34 122.200 122.293 -0.093 1
1 308 . 4 1 1 A 35 35 PHE H H 35 8.040 8.322 -0.282 1
1 309 . 4 1 1 A 35 35 PHE HA H 35 4.020 4.149 -0.129 1
1 317 . 4 1 1 A 35 35 PHE C C 35 176.100 177.371 -1.271 1
1 318 . 4 1 1 A 35 35 PHE CA C 35 61.000 61.202 -0.202 1
1 319 . 4 1 1 A 35 35 PHE CB C 35 39.000 39.242 -0.242 1
1 323 . 4 1 1 A 35 35 PHE N N 35 117.100 120.367 -3.267 1
1 324 . 4 1 1 A 36 36 LYS H H 36 8.490 8.646 -0.156 1
1 325 . 4 1 1 A 36 36 LYS HA H 36 3.320 3.839 -0.519 1
1 334 . 4 1 1 A 36 36 LYS C C 36 178.000 178.286 -0.286 1
1 335 . 4 1 1 A 36 36 LYS CA C 36 59.800 58.761 1.039 1
1 336 . 4 1 1 A 36 36 LYS CB C 36 32.100 31.963 0.137 1
1 340 . 4 1 1 A 36 36 LYS N N 36 118.100 118.311 -0.211 1
1 341 . 4 1 1 A 37 37 ALA H H 37 7.450 7.676 -0.226 1
1 342 . 4 1 1 A 37 37 ALA HA H 37 4.130 4.097 0.033 1
1 346 . 4 1 1 A 37 37 ALA C C 37 178.500 178.173 0.327 1
1 347 . 4 1 1 A 37 37 ALA CA C 37 53.600 54.290 -0.690 1
1 348 . 4 1 1 A 37 37 ALA CB C 37 18.500 18.435 0.065 1
1 349 . 4 1 1 A 37 37 ALA N N 37 117.700 121.586 -3.886 1
1 350 . 4 1 1 A 38 38 ARG H H 38 7.160 7.341 -0.181 1
1 351 . 4 1 1 A 38 38 ARG HA H 38 4.340 4.304 0.036 1
1 358 . 4 1 1 A 38 38 ARG C C 38 175.400 175.886 -0.486 1
1 359 . 4 1 1 A 38 38 ARG CA C 38 54.200 56.291 -2.091 1
1 360 . 4 1 1 A 38 38 ARG CB C 38 31.400 31.455 -0.055 1
1 363 . 4 1 1 A 38 38 ARG N N 38 114.800 115.242 -0.442 1
1 364 . 4 1 1 A 39 39 TYR H H 39 7.510 7.616 -0.106 1
1 365 . 4 1 1 A 39 39 TYR HA H 39 3.350 4.216 -0.866 1
1 372 . 4 1 1 A 39 39 TYR C C 39 173.700 174.808 -1.108 1
1 373 . 4 1 1 A 39 39 TYR CA C 39 60.800 59.553 1.247 1
1 374 . 4 1 1 A 39 39 TYR CB C 39 38.000 38.819 -0.819 1
1 377 . 4 1 1 A 39 39 TYR N N 39 122.600 122.397 0.203 1
1 378 . 4 1 1 A 40 40 SER H H 40 5.730 7.788 -2.058 1
1 379 . 4 1 1 A 40 40 SER HA H 40 4.470 4.683 -0.213 1
1 382 . 4 1 1 A 40 40 SER CA C 40 56.100 55.826 0.274 1
1 383 . 4 1 1 A 40 40 SER CB C 40 65.100 65.398 -0.298 1
1 384 . 4 1 1 A 40 40 SER N N 40 119.100 123.046 -3.946 1
1 385 . 4 1 1 A 41 41 ASP HA H 41 4.210 4.305 -0.095 1
1 388 . 4 1 1 A 41 41 ASP CA C 41 56.700 56.201 0.499 1
1 389 . 4 1 1 A 41 41 ASP CB C 41 40.500 40.261 0.239 1
1 390 . 4 1 1 A 42 42 ILE HA H 42 4.030 3.857 0.173 1
1 400 . 4 1 1 A 42 42 ILE C C 42 176.600 177.691 -1.091 1
1 401 . 4 1 1 A 42 42 ILE CA C 42 63.200 63.162 0.038 1
1 402 . 4 1 1 A 42 42 ILE CB C 42 37.600 37.594 0.006 1
1 406 . 4 1 1 A 43 43 LEU H H 43 7.700 7.489 0.211 1
1 407 . 4 1 1 A 43 43 LEU HA H 43 4.560 4.381 0.179 1
1 417 . 4 1 1 A 43 43 LEU C C 43 178.000 179.132 -1.132 1
1 418 . 4 1 1 A 43 43 LEU CA C 43 54.700 56.229 -1.529 1
1 419 . 4 1 1 A 43 43 LEU CB C 43 40.800 41.808 -1.008 1
1 423 . 4 1 1 A 43 43 LEU N N 43 117.500 120.583 -3.083 1
1 424 . 4 1 1 A 44 44 ASN H H 44 7.870 8.259 -0.389 1
1 425 . 4 1 1 A 44 44 ASN HA H 44 4.480 4.689 -0.209 1
1 428 . 4 1 1 A 44 44 ASN CA C 44 55.300 56.572 -1.272 1
1 429 . 4 1 1 A 44 44 ASN CB C 44 38.200 39.326 -1.126 1
1 430 . 4 1 1 A 44 44 ASN N N 44 118.400 118.576 -0.176 1
1 431 . 4 1 1 A 45 45 LYS HA H 45 4.200 4.148 0.052 1
1 440 . 4 1 1 A 45 45 LYS C C 45 176.200 177.648 -1.448 1
1 441 . 4 1 1 A 45 45 LYS CA C 45 56.500 58.221 -1.721 1
1 442 . 4 1 1 A 45 45 LYS CB C 45 32.000 31.103 0.897 1
1 446 . 4 1 1 A 46 46 TYR H H 46 6.770 7.675 -0.905 1
1 447 . 4 1 1 A 46 46 TYR HA H 46 3.900 3.938 -0.038 1
1 454 . 4 1 1 A 46 46 TYR C C 46 175.500 175.135 0.365 1
1 455 . 4 1 1 A 46 46 TYR CA C 46 59.200 58.519 0.681 1
1 456 . 4 1 1 A 46 46 TYR CB C 46 38.700 38.887 -0.187 1
1 459 . 4 1 1 A 46 46 TYR N N 46 117.400 118.426 -1.026 1
1 460 . 4 1 1 A 47 47 ASP H H 47 7.540 8.014 -0.474 1
1 461 . 4 1 1 A 47 47 ASP HA H 47 4.880 4.307 0.573 1
1 464 . 4 1 1 A 47 47 ASP C C 47 175.100 173.948 1.152 1
1 465 . 4 1 1 A 47 47 ASP CA C 47 56.100 55.608 0.492 1
1 466 . 4 1 1 A 47 47 ASP CB C 47 43.100 39.376 3.724 1
1 467 . 4 1 1 A 47 47 ASP N N 47 118.300 117.040 1.260 1
1 468 . 4 1 1 A 48 48 TYR H H 48 8.640 8.057 0.583 1
1 469 . 4 1 1 A 48 48 TYR HA H 48 5.670 5.425 0.245 1
1 476 . 4 1 1 A 48 48 TYR C C 48 174.700 174.825 -0.125 1
1 477 . 4 1 1 A 48 48 TYR CA C 48 55.900 56.867 -0.967 1
1 478 . 4 1 1 A 48 48 TYR CB C 48 43.500 41.003 2.497 1
1 481 . 4 1 1 A 48 48 TYR N N 48 116.700 118.747 -2.047 1
1 482 . 4 1 1 A 49 49 ILE H H 49 9.130 9.414 -0.284 1
1 483 . 4 1 1 A 49 49 ILE HA H 49 4.660 4.895 -0.235 1
1 493 . 4 1 1 A 49 49 ILE C C 49 173.900 175.288 -1.388 1
1 494 . 4 1 1 A 49 49 ILE CA C 49 59.400 60.114 -0.714 1
1 495 . 4 1 1 A 49 49 ILE CB C 49 40.700 39.892 0.808 1
1 499 . 4 1 1 A 49 49 ILE N N 49 119.500 124.270 -4.770 1
1 500 . 4 1 1 A 50 50 VAL H H 50 9.220 8.839 0.381 1
1 501 . 4 1 1 A 50 50 VAL HA H 50 4.860 5.090 -0.230 1
1 509 . 4 1 1 A 50 50 VAL C C 50 175.200 174.880 0.320 1
1 510 . 4 1 1 A 50 50 VAL CA C 50 60.100 60.362 -0.262 1
1 511 . 4 1 1 A 50 50 VAL CB C 50 33.400 35.078 -1.678 1
1 514 . 4 1 1 A 50 50 VAL N N 50 128.600 128.942 -0.342 1
1 515 . 4 1 1 A 51 51 GLY H H 51 7.860 8.072 -0.212 1
1 516 . 4 1 1 A 51 51 GLY HA2 H 51 5.420 3.694 1.726 1
1 517 . 4 1 1 A 51 51 GLY HA3 H 51 2.080 4.133 -2.053 1
1 518 . 4 1 1 A 51 51 GLY C C 51 170.700 172.162 -1.462 1
1 519 . 4 1 1 A 51 51 GLY CA C 51 43.600 44.096 -0.496 1
1 520 . 4 1 1 A 51 51 GLY N N 51 116.100 112.997 3.103 1
1 521 . 4 1 1 A 52 52 ASP H H 52 8.940 8.608 0.332 1
1 522 . 4 1 1 A 52 52 ASP HA H 52 5.540 5.504 0.036 1
1 525 . 4 1 1 A 52 52 ASP C C 52 174.200 176.451 -2.251 1
1 526 . 4 1 1 A 52 52 ASP CA C 52 53.000 52.699 0.301 1
1 527 . 4 1 1 A 52 52 ASP CB C 52 47.100 42.474 4.626 1
1 528 . 4 1 1 A 52 52 ASP N N 52 121.200 122.636 -1.436 1
1 529 . 4 1 1 A 53 53 TRP H H 53 7.980 9.317 -1.337 1
1 530 . 4 1 1 A 53 53 TRP HA H 53 4.950 4.617 0.333 1
1 539 . 4 1 1 A 53 53 TRP C C 53 178.500 177.276 1.224 1
1 540 . 4 1 1 A 53 53 TRP CA C 53 56.200 59.241 -3.041 1
1 541 . 4 1 1 A 53 53 TRP CB C 53 28.500 29.759 -1.259 1
1 547 . 4 1 1 A 53 53 TRP N N 53 119.900 123.018 -3.118 1
1 549 . 4 1 1 A 54 54 GLY H H 54 10.320 8.436 1.884 1
1 550 . 4 1 1 A 54 54 GLY HA2 H 54 4.020 4.034 -0.014 1
1 551 . 4 1 1 A 54 54 GLY HA3 H 54 4.020 4.052 -0.032 1
1 552 . 4 1 1 A 54 54 GLY CA C 54 48.600 47.501 1.099 1
1 553 . 4 1 1 A 54 54 GLY N N 54 115.400 108.912 6.488 1
1 554 . 4 1 1 A 55 55 TYR HA H 55 4.890 4.882 0.008 1
1 561 . 4 1 1 A 55 55 TYR CA C 55 56.800 58.923 -2.123 1
1 562 . 4 1 1 A 55 55 TYR CB C 55 38.100 40.956 -2.856 1
1 565 . 4 1 1 A 56 56 GLY HA2 H 56 3.850 4.137 -0.287 1
1 566 . 4 1 1 A 56 56 GLY HA3 H 56 4.360 4.307 0.053 1
1 567 . 4 1 1 A 56 56 GLY C C 56 173.100 174.889 -1.789 1
1 568 . 4 1 1 A 56 56 GLY CA C 56 45.600 45.661 -0.061 1
1 569 . 4 1 1 A 57 57 GLN H H 57 7.380 8.010 -0.630 1
1 570 . 4 1 1 A 57 57 GLN HA H 57 4.660 4.427 0.233 1
1 576 . 4 1 1 A 57 57 GLN C C 57 173.800 175.562 -1.762 1
1 577 . 4 1 1 A 57 57 GLN CA C 57 53.400 54.729 -1.329 1
1 578 . 4 1 1 A 57 57 GLN CB C 57 31.600 27.488 4.112 1
1 580 . 4 1 1 A 57 57 GLN N N 57 116.300 120.992 -4.692 1
1 582 . 4 1 1 A 58 58 LEU H H 58 8.100 8.336 -0.236 1
1 583 . 4 1 1 A 58 58 LEU HA H 58 3.250 4.606 -1.356 1
1 593 . 4 1 1 A 58 58 LEU C C 58 174.200 175.159 -0.959 1
1 594 . 4 1 1 A 58 58 LEU CA C 58 55.500 55.538 -0.038 1
1 595 . 4 1 1 A 58 58 LEU CB C 58 39.900 42.016 -2.116 1
1 599 . 4 1 1 A 58 58 LEU N N 58 124.400 127.968 -3.568 1
1 600 . 4 1 1 A 59 59 ARG H H 59 8.360 9.252 -0.892 1
1 601 . 4 1 1 A 59 59 ARG HA H 59 4.470 5.022 -0.552 1
1 608 . 4 1 1 A 59 59 ARG C C 59 174.000 174.434 -0.434 1
1 609 . 4 1 1 A 59 59 ARG CA C 59 54.200 54.484 -0.284 1
1 610 . 4 1 1 A 59 59 ARG CB C 59 33.000 33.686 -0.686 1
1 613 . 4 1 1 A 59 59 ARG N N 59 130.500 128.463 2.037 1
1 614 . 4 1 1 A 60 60 LEU H H 60 8.480 8.706 -0.226 1
1 615 . 4 1 1 A 60 60 LEU HA H 60 5.260 5.209 0.051 1
1 625 . 4 1 1 A 60 60 LEU C C 60 176.000 175.469 0.531 1
1 626 . 4 1 1 A 60 60 LEU CA C 60 52.500 53.142 -0.642 1
1 627 . 4 1 1 A 60 60 LEU CB C 60 44.200 44.183 0.017 1
1 631 . 4 1 1 A 60 60 LEU N N 60 122.400 127.933 -5.533 1
1 632 . 4 1 1 A 61 61 LYS H H 61 8.900 8.964 -0.064 1
1 633 . 4 1 1 A 61 61 LYS HA H 61 4.160 4.489 -0.329 1
1 642 . 4 1 1 A 61 61 LYS C C 61 174.200 174.812 -0.612 1
1 643 . 4 1 1 A 61 61 LYS CA C 61 54.800 54.138 0.662 1
1 644 . 4 1 1 A 61 61 LYS CB C 61 36.600 35.437 1.163 1
1 648 . 4 1 1 A 61 61 LYS N N 61 123.800 122.500 1.300 1
1 649 . 4 1 1 A 62 62 GLY H H 62 8.140 8.360 -0.220 1
1 650 . 4 1 1 A 62 62 GLY HA2 H 62 4.160 2.865 1.295 1
1 651 . 4 1 1 A 62 62 GLY HA3 H 62 4.160 3.667 0.493 1
1 652 . 4 1 1 A 62 62 GLY C C 62 172.000 172.060 -0.060 1
1 653 . 4 1 1 A 62 62 GLY CA C 62 43.000 44.241 -1.241 1
1 654 . 4 1 1 A 62 62 GLY N N 62 114.000 112.665 1.335 1
1 655 . 4 1 1 A 63 63 PHE H H 63 8.500 8.407 0.093 1
1 656 . 4 1 1 A 63 63 PHE HA H 63 4.800 5.058 -0.258 1
1 664 . 4 1 1 A 63 63 PHE C C 63 175.400 174.247 1.153 1
1 665 . 4 1 1 A 63 63 PHE CA C 63 55.800 56.306 -0.506 1
1 666 . 4 1 1 A 63 63 PHE CB C 63 46.200 43.752 2.448 1
1 670 . 4 1 1 A 63 63 PHE N N 63 118.600 121.269 -2.669 1
1 671 . 4 1 1 A 64 64 PHE H H 64 9.930 9.006 0.924 1
1 672 . 4 1 1 A 64 64 PHE HA H 64 5.460 5.261 0.199 1
1 679 . 4 1 1 A 64 64 PHE C C 64 175.600 175.015 0.585 1
1 680 . 4 1 1 A 64 64 PHE CA C 64 57.500 56.314 1.186 1
1 681 . 4 1 1 A 64 64 PHE CB C 64 43.100 42.394 0.706 1
1 684 . 4 1 1 A 64 64 PHE N N 64 120.100 119.153 0.947 1
1 685 . 4 1 1 A 65 65 ASP H H 65 10.950 8.946 2.004 1
1 686 . 4 1 1 A 65 65 ASP HA H 65 4.860 4.554 0.306 1
1 689 . 4 1 1 A 65 65 ASP C C 65 177.400 175.812 1.588 1
1 690 . 4 1 1 A 65 65 ASP CA C 65 56.400 54.358 2.042 1
1 691 . 4 1 1 A 65 65 ASP CB C 65 42.800 40.516 2.284 1
1 692 . 4 1 1 A 65 65 ASP N N 65 123.200 121.102 2.098 1
1 693 . 4 1 1 A 66 66 ASP H H 66 8.470 8.697 -0.227 1
1 694 . 4 1 1 A 66 66 ASP HA H 66 4.110 4.558 -0.448 1
1 697 . 4 1 1 A 66 66 ASP C C 66 175.300 177.118 -1.818 1
1 698 . 4 1 1 A 66 66 ASP CA C 66 57.800 56.402 1.398 1
1 699 . 4 1 1 A 66 66 ASP CB C 66 42.000 41.803 0.197 1
1 700 . 4 1 1 A 66 66 ASP N N 66 122.800 125.079 -2.279 1
1 701 . 4 1 1 A 67 67 GLN H H 67 8.500 7.539 0.961 1
1 702 . 4 1 1 A 67 67 GLN HA H 67 4.250 4.495 -0.245 1
1 707 . 4 1 1 A 67 67 GLN C C 67 175.900 175.701 0.199 1
1 708 . 4 1 1 A 67 67 GLN CA C 67 55.400 55.326 0.074 1
1 709 . 4 1 1 A 67 67 GLN CB C 67 28.300 28.700 -0.400 1
1 711 . 4 1 1 A 68 68 ASN H H 68 7.880 8.704 -0.824 1
1 712 . 4 1 1 A 68 68 ASN HA H 68 4.430 4.982 -0.552 1
1 714 . 4 1 1 A 68 68 ASN CA C 68 53.300 53.846 -0.546 1
1 715 . 4 1 1 A 68 68 ASN CB C 68 39.300 38.959 0.341 1
1 716 . 4 1 1 A 68 68 ASN N N 68 121.500 123.301 -1.801 1
1 722 . 4 1 1 A 73 73 PHE HA H 73 4.190 5.048 -0.858 1
1 730 . 4 1 1 A 73 73 PHE CA C 73 61.300 56.810 4.490 1
1 731 . 4 1 1 A 73 73 PHE CB C 73 38.600 41.257 -2.657 1
1 735 . 4 1 1 A 74 74 GLU HA H 74 4.290 4.581 -0.291 1
1 738 . 4 1 1 A 74 74 GLU CA C 74 56.800 55.606 1.194 1
1 739 . 4 1 1 A 74 74 GLU CB C 74 29.900 29.417 0.483 1
1 741 . 4 1 1 A 75 75 THR HA H 75 4.180 4.495 -0.315 1
1 746 . 4 1 1 A 75 75 THR C C 75 174.100 175.447 -1.347 1
1 747 . 4 1 1 A 75 75 THR CA C 75 60.700 62.420 -1.720 1
1 748 . 4 1 1 A 75 75 THR CB C 75 69.800 69.456 0.344 1
1 750 . 4 1 1 A 76 76 LYS HA H 76 3.880 3.807 0.073 1
1 759 . 4 1 1 A 76 76 LYS CA C 76 55.900 57.071 -1.171 1
1 760 . 4 1 1 A 76 76 LYS CB C 76 32.100 31.139 0.961 1
1 764 . 4 1 1 A 77 77 ILE H H 77 9.060 7.680 1.380 1
1 765 . 4 1 1 A 77 77 ILE HA H 77 3.850 3.928 -0.078 1
1 775 . 4 1 1 A 77 77 ILE C C 77 175.900 176.684 -0.784 1
1 776 . 4 1 1 A 77 77 ILE CA C 77 59.600 62.411 -2.811 1
1 777 . 4 1 1 A 77 77 ILE CB C 77 38.400 37.303 1.097 1
1 781 . 4 1 1 A 77 77 ILE N N 77 126.900 120.518 6.382 1
1 782 . 4 1 1 A 78 78 SER H H 78 8.730 8.941 -0.211 1
1 783 . 4 1 1 A 78 78 SER HA H 78 4.140 4.088 0.052 1
1 786 . 4 1 1 A 78 78 SER C C 78 176.200 176.584 -0.384 1
1 787 . 4 1 1 A 78 78 SER CA C 78 60.800 61.265 -0.465 1
1 788 . 4 1 1 A 78 78 SER CB C 78 61.200 62.904 -1.704 1
1 789 . 4 1 1 A 78 78 SER N N 78 119.000 124.081 -5.081 1
1 790 . 4 1 1 A 79 79 THR H H 79 8.050 7.844 0.206 1
1 791 . 4 1 1 A 79 79 THR HA H 79 4.580 4.010 0.570 1
1 796 . 4 1 1 A 79 79 THR C C 79 174.400 176.356 -1.956 1
1 797 . 4 1 1 A 79 79 THR CA C 79 62.200 65.512 -3.312 1
1 798 . 4 1 1 A 79 79 THR CB C 79 69.300 68.725 0.575 1
1 800 . 4 1 1 A 79 79 THR N N 79 114.300 115.241 -0.941 1
1 801 . 4 1 1 A 80 80 LEU H H 80 7.470 7.738 -0.268 1
1 802 . 4 1 1 A 80 80 LEU HA H 80 3.580 3.386 0.194 1
1 812 . 4 1 1 A 80 80 LEU C C 80 176.500 177.921 -1.421 1
1 813 . 4 1 1 A 80 80 LEU CA C 80 58.400 57.425 0.975 1
1 814 . 4 1 1 A 80 80 LEU CB C 80 41.800 41.260 0.540 1
1 818 . 4 1 1 A 80 80 LEU N N 80 123.200 121.843 1.357 1
1 819 . 4 1 1 A 81 81 ASP H H 81 8.450 8.080 0.370 1
1 820 . 4 1 1 A 81 81 ASP HA H 81 4.060 4.240 -0.180 1
1 823 . 4 1 1 A 81 81 ASP C C 81 178.700 178.310 0.390 1
1 824 . 4 1 1 A 81 81 ASP CA C 81 57.600 57.339 0.261 1
1 825 . 4 1 1 A 81 81 ASP CB C 81 39.500 41.819 -2.319 1
1 826 . 4 1 1 A 81 81 ASP N N 81 116.000 119.068 -3.068 1
1 827 . 4 1 1 A 82 82 GLU H H 82 7.800 7.462 0.338 1
1 828 . 4 1 1 A 82 82 GLU HA H 82 4.030 4.067 -0.037 1
1 833 . 4 1 1 A 82 82 GLU C C 82 178.500 178.769 -0.269 1
1 834 . 4 1 1 A 82 82 GLU CA C 82 59.100 58.871 0.229 1
1 835 . 4 1 1 A 82 82 GLU CB C 82 29.300 29.993 -0.693 1
1 837 . 4 1 1 A 82 82 GLU N N 82 120.400 118.683 1.717 1
1 838 . 4 1 1 A 83 83 TYR H H 83 8.190 8.124 0.066 1
1 839 . 4 1 1 A 83 83 TYR HA H 83 4.410 4.387 0.023 1
1 846 . 4 1 1 A 83 83 TYR C C 83 176.700 177.448 -0.748 1
1 847 . 4 1 1 A 83 83 TYR CA C 83 60.900 61.338 -0.438 1
1 848 . 4 1 1 A 83 83 TYR CB C 83 37.600 38.712 -1.112 1
1 851 . 4 1 1 A 83 83 TYR N N 83 122.900 121.882 1.018 1
1 852 . 4 1 1 A 84 84 ILE H H 84 8.400 8.543 -0.143 1
1 853 . 4 1 1 A 84 84 ILE HA H 84 3.240 3.459 -0.219 1
1 863 . 4 1 1 A 84 84 ILE C C 84 178.000 177.476 0.524 1
1 864 . 4 1 1 A 84 84 ILE CA C 84 60.800 65.828 -5.028 1
1 865 . 4 1 1 A 84 84 ILE CB C 84 35.500 37.589 -2.089 1
1 869 . 4 1 1 A 84 84 ILE N N 84 119.100 120.673 -1.573 1
1 870 . 4 1 1 A 85 85 TYR H H 85 7.820 8.354 -0.534 1
1 871 . 4 1 1 A 85 85 TYR HA H 85 3.910 4.048 -0.138 1
1 878 . 4 1 1 A 85 85 TYR C C 85 176.800 177.840 -1.040 1
1 879 . 4 1 1 A 85 85 TYR CA C 85 60.700 61.251 -0.551 1
1 880 . 4 1 1 A 85 85 TYR CB C 85 37.900 38.898 -0.998 1
1 883 . 4 1 1 A 85 85 TYR N N 85 119.100 120.297 -1.197 1
1 884 . 4 1 1 A 86 86 GLU H H 86 7.660 8.099 -0.439 1
1 885 . 4 1 1 A 86 86 GLU HA H 86 3.690 3.968 -0.278 1
1 890 . 4 1 1 A 86 86 GLU C C 86 177.900 176.888 1.012 1
1 891 . 4 1 1 A 86 86 GLU CA C 86 58.200 58.634 -0.434 1
1 892 . 4 1 1 A 86 86 GLU CB C 86 29.500 29.872 -0.372 1
1 894 . 4 1 1 A 86 86 GLU N N 86 116.700 118.234 -1.534 1
1 895 . 4 1 1 A 87 87 TYR H H 87 8.010 7.870 0.140 1
1 896 . 4 1 1 A 87 87 TYR HA H 87 4.090 4.344 -0.254 1
1 903 . 4 1 1 A 87 87 TYR C C 87 176.000 175.946 0.054 1
1 904 . 4 1 1 A 87 87 TYR CA C 87 60.100 59.061 1.039 1
1 905 . 4 1 1 A 87 87 TYR CB C 87 37.300 39.669 -2.369 1
1 908 . 4 1 1 A 87 87 TYR N N 87 114.900 113.777 1.123 1
1 909 . 4 1 1 A 88 88 CYS H H 88 8.300 8.072 0.228 1
1 910 . 4 1 1 A 88 88 CYS HA H 88 4.760 4.804 -0.044 1
1 913 . 4 1 1 A 88 88 CYS CA C 88 53.500 54.581 -1.081 1
1 914 . 4 1 1 A 88 88 CYS CB C 88 42.000 43.793 -1.793 1
1 915 . 4 1 1 A 88 88 CYS N N 88 119.700 116.544 3.156 1
1 916 . 4 1 1 A 89 89 ASN C C 89 176.500 175.455 1.045 1
1 917 . 4 1 1 A 90 90 PHE HA H 90 4.590 4.842 -0.252 1
1 925 . 4 1 1 A 90 90 PHE CA C 90 57.400 57.709 -0.309 1
1 926 . 4 1 1 A 90 90 PHE CB C 90 38.200 42.602 -4.402 1
1 930 . 4 1 1 A 92 92 CYS HA H 92 4.660 5.010 -0.350 1
1 933 . 4 1 1 A 92 92 CYS C C 92 172.000 172.349 -0.349 1
1 934 . 4 1 1 A 92 92 CYS CA C 92 55.000 54.115 0.885 1
1 935 . 4 1 1 A 92 92 CYS CB C 92 47.400 45.424 1.976 1
1 936 . 4 1 1 A 93 93 ALA H H 93 8.670 8.792 -0.122 1
1 937 . 4 1 1 A 93 93 ALA HA H 93 4.520 5.460 -0.940 1
1 941 . 4 1 1 A 93 93 ALA C C 93 177.400 175.752 1.648 1
1 942 . 4 1 1 A 93 93 ALA CA C 93 52.400 50.743 1.657 1
1 943 . 4 1 1 A 93 93 ALA CB C 93 19.800 24.099 -4.299 1
1 944 . 4 1 1 A 93 93 ALA N N 93 126.000 122.575 3.425 1
1 945 . 4 1 1 A 94 94 TYR H H 94 8.460 8.677 -0.217 1
1 946 . 4 1 1 A 94 94 TYR HA H 94 5.570 5.734 -0.164 1
1 953 . 4 1 1 A 94 94 TYR C C 94 171.500 173.687 -2.187 1
1 954 . 4 1 1 A 94 94 TYR CA C 94 57.200 56.479 0.721 1
1 955 . 4 1 1 A 94 94 TYR CB C 94 39.800 40.831 -1.031 1
1 958 . 4 1 1 A 94 94 TYR N N 94 116.200 116.126 0.074 1
1 959 . 4 1 1 A 95 95 PHE H H 95 9.220 8.714 0.506 1
1 960 . 4 1 1 A 95 95 PHE HA H 95 5.280 5.566 -0.286 1
1 967 . 4 1 1 A 95 95 PHE C C 95 172.900 172.853 0.047 1
1 968 . 4 1 1 A 95 95 PHE CA C 95 55.200 56.001 -0.801 1
1 969 . 4 1 1 A 95 95 PHE CB C 95 42.400 42.458 -0.058 1
1 972 . 4 1 1 A 95 95 PHE N N 95 114.100 116.596 -2.496 1
1 973 . 4 1 1 A 96 96 VAL H H 96 9.130 8.836 0.294 1
1 974 . 4 1 1 A 96 96 VAL HA H 96 4.860 4.968 -0.108 1
1 982 . 4 1 1 A 96 96 VAL C C 96 174.800 174.519 0.281 1
1 983 . 4 1 1 A 96 96 VAL CA C 96 61.400 61.374 0.026 1
1 984 . 4 1 1 A 96 96 VAL CB C 96 35.100 34.426 0.674 1
1 987 . 4 1 1 A 96 96 VAL N N 96 118.400 120.740 -2.340 1
1 988 . 4 1 1 A 97 97 LEU H H 97 9.610 9.618 -0.008 1
1 989 . 4 1 1 A 97 97 LEU HA H 97 5.380 5.313 0.067 1
1 999 . 4 1 1 A 97 97 LEU C C 97 175.700 175.511 0.189 1
1 1000 . 4 1 1 A 97 97 LEU CA C 97 52.100 53.003 -0.903 1
1 1001 . 4 1 1 A 97 97 LEU CB C 97 44.500 44.492 0.008 1
1 1005 . 4 1 1 A 97 97 LEU N N 97 126.100 127.257 -1.157 1
1 1006 . 4 1 1 A 98 98 LYS H H 98 9.660 9.118 0.542 1
1 1007 . 4 1 1 A 98 98 LYS HA H 98 4.740 4.964 -0.224 1
1 1016 . 4 1 1 A 98 98 LYS C C 98 175.500 175.318 0.182 1
1 1017 . 4 1 1 A 98 98 LYS CA C 98 54.400 54.743 -0.343 1
1 1018 . 4 1 1 A 98 98 LYS CB C 98 37.500 34.754 2.746 1
1 1022 . 4 1 1 A 98 98 LYS N N 98 123.900 125.178 -1.278 1
1 1023 . 4 1 1 A 99 99 ARG H H 99 8.400 8.674 -0.274 1
1 1024 . 4 1 1 A 99 99 ARG HA H 99 4.040 4.349 -0.309 1
1 1031 . 4 1 1 A 99 99 ARG C C 99 174.800 176.658 -1.858 1
1 1032 . 4 1 1 A 99 99 ARG CA C 99 55.500 56.436 -0.936 1
1 1033 . 4 1 1 A 99 99 ARG CB C 99 30.000 30.421 -0.421 1
1 1036 . 4 1 1 A 99 99 ARG N N 99 128.700 127.323 1.377 1
1 1037 . 4 1 1 A 100 100 ILE H H 100 8.660 8.857 -0.197 1
1 1038 . 4 1 1 A 100 100 ILE HA H 100 4.150 4.021 0.129 1
1 1048 . 4 1 1 A 100 100 ILE CA C 100 59.100 61.325 -2.225 1
1 1049 . 4 1 1 A 100 100 ILE CB C 100 36.300 37.576 -1.276 1
1 1053 . 4 1 1 A 100 100 ILE N N 100 130.500 126.829 3.671 1
1 1054 . 4 1 1 A 101 101 ARG C C 101 177.000 174.416 2.584 1
1 1055 . 4 1 1 A 102 102 LYS C C 102 178.900 174.248 4.652 1
1 1056 . 4 1 1 A 103 103 LEU HA H 103 4.230 4.741 -0.511 1
1 1066 . 4 1 1 A 103 103 LEU CA C 103 54.900 54.327 0.573 1
1 1067 . 4 1 1 A 103 103 LEU CB C 103 42.100 43.524 -1.424 1
1 1071 . 4 1 1 A 104 104 GLU HA H 104 4.010 4.591 -0.581 1
1 1075 . 4 1 1 A 104 104 GLU CA C 104 58.300 55.413 2.887 1
1 1076 . 4 1 1 A 104 104 GLU CB C 104 28.300 28.822 -0.522 1
1 1 . 5 1 1 A 10 10 GLU HA H 10 4.230 4.318 -0.088 1
1 6 . 5 1 1 A 10 10 GLU C C 10 176.100 175.962 0.138 1
1 7 . 5 1 1 A 10 10 GLU CA C 10 56.800 58.166 -1.366 1
1 8 . 5 1 1 A 10 10 GLU CB C 10 30.400 30.430 -0.030 1
1 10 . 5 1 1 A 11 11 ILE H H 11 8.270 7.974 0.296 1
1 11 . 5 1 1 A 11 11 ILE HA H 11 4.100 4.356 -0.256 1
1 21 . 5 1 1 A 11 11 ILE C C 11 173.900 174.572 -0.672 1
1 22 . 5 1 1 A 11 11 ILE CA C 11 60.900 60.776 0.124 1
1 23 . 5 1 1 A 11 11 ILE CB C 11 38.300 39.340 -1.040 1
1 27 . 5 1 1 A 11 11 ILE N N 11 121.800 118.612 3.188 1
1 28 . 5 1 1 A 12 12 MET H H 12 8.150 8.843 -0.693 1
1 29 . 5 1 1 A 12 12 MET HA H 12 5.250 5.578 -0.328 1
1 37 . 5 1 1 A 12 12 MET C C 12 175.500 175.191 0.309 1
1 38 . 5 1 1 A 12 12 MET CA C 12 53.100 53.456 -0.356 1
1 39 . 5 1 1 A 12 12 MET CB C 12 33.600 34.106 -0.506 1
1 42 . 5 1 1 A 12 12 MET N N 12 125.200 125.874 -0.674 1
1 43 . 5 1 1 A 13 13 ILE H H 13 9.200 9.448 -0.248 1
1 44 . 5 1 1 A 13 13 ILE HA H 13 4.400 4.953 -0.553 1
1 54 . 5 1 1 A 13 13 ILE C C 13 173.500 174.613 -1.113 1
1 55 . 5 1 1 A 13 13 ILE CA C 13 59.600 60.025 -0.425 1
1 56 . 5 1 1 A 13 13 ILE CB C 13 40.500 39.377 1.123 1
1 60 . 5 1 1 A 13 13 ILE N N 13 123.700 124.770 -1.070 1
1 61 . 5 1 1 A 14 14 LEU H H 14 8.550 9.188 -0.638 1
1 62 . 5 1 1 A 14 14 LEU HA H 14 5.200 5.398 -0.198 1
1 72 . 5 1 1 A 14 14 LEU C C 14 176.100 175.785 0.315 1
1 73 . 5 1 1 A 14 14 LEU CA C 14 53.700 53.618 0.082 1
1 74 . 5 1 1 A 14 14 LEU CB C 14 43.700 42.794 0.906 1
1 78 . 5 1 1 A 14 14 LEU N N 14 128.800 127.705 1.095 1
1 79 . 5 1 1 A 15 15 ILE H H 15 8.780 8.960 -0.180 1
1 80 . 5 1 1 A 15 15 ILE HA H 15 4.350 4.527 -0.177 1
1 90 . 5 1 1 A 15 15 ILE CA C 15 58.700 59.959 -1.259 1
1 91 . 5 1 1 A 15 15 ILE CB C 15 39.800 41.161 -1.361 1
1 95 . 5 1 1 A 15 15 ILE N N 15 123.000 123.903 -0.903 1
1 96 . 5 1 1 A 16 16 GLN HA H 16 3.710 4.124 -0.414 1
1 100 . 5 1 1 A 16 16 GLN CA C 16 57.700 57.499 0.201 1
1 101 . 5 1 1 A 16 16 GLN CB C 16 26.500 27.119 -0.619 1
1 103 . 5 1 1 A 17 17 ASN HA H 17 4.460 4.371 0.089 1
1 108 . 5 1 1 A 17 17 ASN C C 17 173.300 173.845 -0.545 1
1 109 . 5 1 1 A 17 17 ASN CA C 17 53.900 54.864 -0.964 1
1 110 . 5 1 1 A 17 17 ASN CB C 17 38.100 36.879 1.221 1
1 112 . 5 1 1 A 18 18 ALA H H 18 8.450 7.531 0.919 1
1 113 . 5 1 1 A 18 18 ALA HA H 18 4.250 4.927 -0.677 1
1 117 . 5 1 1 A 18 18 ALA C C 18 174.000 175.041 -1.041 1
1 118 . 5 1 1 A 18 18 ALA CA C 18 51.600 50.760 0.840 1
1 119 . 5 1 1 A 18 18 ALA CB C 18 20.500 22.750 -2.250 1
1 120 . 5 1 1 A 18 18 ALA N N 18 125.200 118.471 6.729 1
1 121 . 5 1 1 A 19 19 GLU H H 19 7.930 8.588 -0.658 1
1 122 . 5 1 1 A 19 19 GLU HA H 19 5.000 4.874 0.126 1
1 127 . 5 1 1 A 19 19 GLU C C 19 174.500 175.255 -0.755 1
1 128 . 5 1 1 A 19 19 GLU CA C 19 54.400 55.496 -1.096 1
1 129 . 5 1 1 A 19 19 GLU CB C 19 32.500 30.934 1.566 1
1 131 . 5 1 1 A 19 19 GLU N N 19 121.700 122.018 -0.318 1
1 132 . 5 1 1 A 20 20 PHE H H 20 9.110 9.163 -0.053 1
1 133 . 5 1 1 A 20 20 PHE HA H 20 5.340 5.458 -0.118 1
1 141 . 5 1 1 A 20 20 PHE C C 20 173.900 174.224 -0.324 1
1 142 . 5 1 1 A 20 20 PHE CA C 20 55.800 56.506 -0.706 1
1 143 . 5 1 1 A 20 20 PHE CB C 20 44.800 43.939 0.861 1
1 147 . 5 1 1 A 20 20 PHE N N 20 120.100 124.053 -3.953 1
1 148 . 5 1 1 A 21 21 GLU H H 21 9.200 8.847 0.353 1
1 149 . 5 1 1 A 21 21 GLU HA H 21 5.040 5.069 -0.029 1
1 154 . 5 1 1 A 21 21 GLU C C 21 176.200 174.724 1.476 1
1 155 . 5 1 1 A 21 21 GLU CA C 21 53.700 54.589 -0.889 1
1 156 . 5 1 1 A 21 21 GLU CB C 21 33.600 33.563 0.037 1
1 158 . 5 1 1 A 21 21 GLU N N 21 120.800 119.251 1.549 1
1 159 . 5 1 1 A 22 22 LEU H H 22 8.590 8.631 -0.041 1
1 160 . 5 1 1 A 22 22 LEU HA H 22 4.420 4.294 0.126 1
1 170 . 5 1 1 A 22 22 LEU C C 22 175.200 176.519 -1.319 1
1 171 . 5 1 1 A 22 22 LEU CA C 22 54.900 55.063 -0.163 1
1 172 . 5 1 1 A 22 22 LEU CB C 22 41.000 41.943 -0.943 1
1 176 . 5 1 1 A 22 22 LEU N N 22 127.900 125.670 2.230 1
1 177 . 5 1 1 A 23 23 VAL H H 23 8.350 8.707 -0.357 1
1 178 . 5 1 1 A 23 23 VAL HA H 23 4.460 4.245 0.215 1
1 186 . 5 1 1 A 23 23 VAL C C 23 175.500 175.849 -0.349 1
1 187 . 5 1 1 A 23 23 VAL CA C 23 62.100 62.163 -0.063 1
1 188 . 5 1 1 A 23 23 VAL CB C 23 32.600 32.992 -0.392 1
1 191 . 5 1 1 A 23 23 VAL N N 23 122.700 122.276 0.424 1
1 192 . 5 1 1 A 24 24 HIS H H 24 7.590 7.261 0.329 1
1 193 . 5 1 1 A 24 24 HIS HA H 24 4.750 5.182 -0.432 1
1 197 . 5 1 1 A 24 24 HIS CA C 24 56.800 54.790 2.010 1
1 198 . 5 1 1 A 24 24 HIS CB C 24 34.800 34.403 0.397 1
1 200 . 5 1 1 A 24 24 HIS N N 24 118.300 118.680 -0.380 1
1 201 . 5 1 1 A 25 25 ASN HA H 25 5.070 5.182 -0.112 1
1 206 . 5 1 1 A 25 25 ASN C C 25 172.500 173.442 -0.942 1
1 207 . 5 1 1 A 25 25 ASN CA C 25 52.000 52.860 -0.860 1
1 208 . 5 1 1 A 25 25 ASN CB C 25 40.400 42.779 -2.379 1
1 210 . 5 1 1 A 26 26 PHE H H 26 9.000 8.820 0.180 1
1 211 . 5 1 1 A 26 26 PHE HA H 26 4.540 4.786 -0.246 1
1 219 . 5 1 1 A 26 26 PHE C C 26 174.500 174.774 -0.274 1
1 220 . 5 1 1 A 26 26 PHE CA C 26 57.100 57.558 -0.458 1
1 221 . 5 1 1 A 26 26 PHE CB C 26 40.900 42.824 -1.924 1
1 225 . 5 1 1 A 26 26 PHE N N 26 128.200 125.834 2.366 1
1 226 . 5 1 1 A 27 27 LYS H H 27 8.700 8.818 -0.118 1
1 227 . 5 1 1 A 27 27 LYS HA H 27 3.290 3.851 -0.561 1
1 236 . 5 1 1 A 27 27 LYS C C 27 174.500 175.089 -0.589 1
1 237 . 5 1 1 A 27 27 LYS CA C 27 56.800 57.267 -0.467 1
1 238 . 5 1 1 A 27 27 LYS CB C 27 29.500 31.609 -2.109 1
1 242 . 5 1 1 A 27 27 LYS N N 27 126.000 126.662 -0.662 1
1 243 . 5 1 1 A 28 28 ASP H H 28 8.560 8.432 0.128 1
1 244 . 5 1 1 A 28 28 ASP HA H 28 4.080 4.277 -0.197 1
1 247 . 5 1 1 A 28 28 ASP C C 28 174.700 176.889 -2.189 1
1 248 . 5 1 1 A 28 28 ASP CA C 28 54.800 55.584 -0.784 1
1 249 . 5 1 1 A 28 28 ASP CB C 28 39.100 38.995 0.105 1
1 250 . 5 1 1 A 28 28 ASP N N 28 112.300 112.139 0.161 1
1 251 . 5 1 1 A 29 29 GLY H H 29 7.160 7.951 -0.791 1
1 252 . 5 1 1 A 29 29 GLY HA2 H 29 3.490 3.833 -0.343 1
1 253 . 5 1 1 A 29 29 GLY HA3 H 29 3.780 4.101 -0.321 1
1 254 . 5 1 1 A 29 29 GLY C C 29 174.800 175.193 -0.393 1
1 255 . 5 1 1 A 29 29 GLY CA C 29 47.600 47.452 0.148 1
1 256 . 5 1 1 A 29 29 GLY N N 29 101.900 106.637 -4.737 1
1 257 . 5 1 1 A 30 30 PHE H H 30 9.400 7.805 1.595 1
1 258 . 5 1 1 A 30 30 PHE HA H 30 3.380 3.674 -0.294 1
1 266 . 5 1 1 A 30 30 PHE CA C 30 60.700 56.713 3.987 1
1 267 . 5 1 1 A 30 30 PHE CB C 30 37.700 38.383 -0.683 1
1 271 . 5 1 1 A 30 30 PHE N N 30 120.800 121.786 -0.986 1
1 272 . 5 1 1 A 31 31 ASN H H 31 5.090 7.929 -2.839 1
1 273 . 5 1 1 A 31 31 ASN HA H 31 4.220 4.779 -0.559 1
1 276 . 5 1 1 A 31 31 ASN CA C 31 52.400 51.555 0.845 1
1 277 . 5 1 1 A 31 31 ASN CB C 31 41.100 39.600 1.500 1
1 278 . 5 1 1 A 31 31 ASN N N 31 125.400 125.555 -0.155 1
1 279 . 5 1 1 A 32 32 GLU HA H 32 3.290 3.497 -0.207 1
1 284 . 5 1 1 A 32 32 GLU C C 32 176.900 178.053 -1.153 1
1 285 . 5 1 1 A 32 32 GLU CA C 32 60.600 60.000 0.600 1
1 286 . 5 1 1 A 32 32 GLU CB C 32 29.500 29.418 0.082 1
1 288 . 5 1 1 A 33 33 GLU H H 33 8.320 8.357 -0.037 1
1 289 . 5 1 1 A 33 33 GLU HA H 33 3.880 4.054 -0.174 1
1 294 . 5 1 1 A 33 33 GLU C C 33 179.300 178.626 0.674 1
1 295 . 5 1 1 A 33 33 GLU CA C 33 59.600 59.338 0.262 1
1 296 . 5 1 1 A 33 33 GLU CB C 33 28.700 29.371 -0.671 1
1 298 . 5 1 1 A 33 33 GLU N N 33 119.000 117.452 1.548 1
1 299 . 5 1 1 A 34 34 ALA H H 34 8.330 7.846 0.484 1
1 300 . 5 1 1 A 34 34 ALA HA H 34 4.130 4.149 -0.019 1
1 304 . 5 1 1 A 34 34 ALA C C 34 179.600 179.716 -0.116 1
1 305 . 5 1 1 A 34 34 ALA CA C 34 54.400 55.025 -0.625 1
1 306 . 5 1 1 A 34 34 ALA CB C 34 18.400 18.428 -0.028 1
1 307 . 5 1 1 A 34 34 ALA N N 34 122.200 122.488 -0.288 1
1 308 . 5 1 1 A 35 35 PHE H H 35 8.040 8.208 -0.168 1
1 309 . 5 1 1 A 35 35 PHE HA H 35 4.020 4.291 -0.271 1
1 317 . 5 1 1 A 35 35 PHE C C 35 176.100 177.219 -1.119 1
1 318 . 5 1 1 A 35 35 PHE CA C 35 61.000 61.169 -0.169 1
1 319 . 5 1 1 A 35 35 PHE CB C 35 39.000 39.317 -0.317 1
1 323 . 5 1 1 A 35 35 PHE N N 35 117.100 120.377 -3.277 1
1 324 . 5 1 1 A 36 36 LYS H H 36 8.490 8.596 -0.106 1
1 325 . 5 1 1 A 36 36 LYS HA H 36 3.320 3.880 -0.560 1
1 334 . 5 1 1 A 36 36 LYS C C 36 178.000 178.647 -0.647 1
1 335 . 5 1 1 A 36 36 LYS CA C 36 59.800 58.885 0.915 1
1 336 . 5 1 1 A 36 36 LYS CB C 36 32.100 31.834 0.266 1
1 340 . 5 1 1 A 36 36 LYS N N 36 118.100 118.400 -0.300 1
1 341 . 5 1 1 A 37 37 ALA H H 37 7.450 7.789 -0.339 1
1 342 . 5 1 1 A 37 37 ALA HA H 37 4.130 3.981 0.149 1
1 346 . 5 1 1 A 37 37 ALA C C 37 178.500 179.999 -1.499 1
1 347 . 5 1 1 A 37 37 ALA CA C 37 53.600 55.309 -1.709 1
1 348 . 5 1 1 A 37 37 ALA CB C 37 18.500 18.191 0.309 1
1 349 . 5 1 1 A 37 37 ALA N N 37 117.700 122.164 -4.464 1
1 350 . 5 1 1 A 38 38 ARG H H 38 7.160 7.643 -0.483 1
1 351 . 5 1 1 A 38 38 ARG HA H 38 4.340 4.274 0.066 1
1 358 . 5 1 1 A 38 38 ARG C C 38 175.400 176.145 -0.745 1
1 359 . 5 1 1 A 38 38 ARG CA C 38 54.200 57.153 -2.953 1
1 360 . 5 1 1 A 38 38 ARG CB C 38 31.400 30.968 0.432 1
1 363 . 5 1 1 A 38 38 ARG N N 38 114.800 116.065 -1.265 1
1 364 . 5 1 1 A 39 39 TYR H H 39 7.510 7.627 -0.117 1
1 365 . 5 1 1 A 39 39 TYR HA H 39 3.350 4.160 -0.810 1
1 372 . 5 1 1 A 39 39 TYR C C 39 173.700 174.776 -1.076 1
1 373 . 5 1 1 A 39 39 TYR CA C 39 60.800 59.612 1.188 1
1 374 . 5 1 1 A 39 39 TYR CB C 39 38.000 38.609 -0.609 1
1 377 . 5 1 1 A 39 39 TYR N N 39 122.600 121.846 0.754 1
1 378 . 5 1 1 A 40 40 SER H H 40 5.730 7.748 -2.018 1
1 379 . 5 1 1 A 40 40 SER HA H 40 4.470 4.666 -0.196 1
1 382 . 5 1 1 A 40 40 SER CA C 40 56.100 55.594 0.506 1
1 383 . 5 1 1 A 40 40 SER CB C 40 65.100 65.120 -0.020 1
1 384 . 5 1 1 A 40 40 SER N N 40 119.100 123.268 -4.168 1
1 385 . 5 1 1 A 41 41 ASP HA H 41 4.210 4.119 0.091 1
1 388 . 5 1 1 A 41 41 ASP CA C 41 56.700 57.220 -0.520 1
1 389 . 5 1 1 A 41 41 ASP CB C 41 40.500 40.283 0.217 1
1 390 . 5 1 1 A 42 42 ILE HA H 42 4.030 3.828 0.202 1
1 400 . 5 1 1 A 42 42 ILE C C 42 176.600 178.038 -1.438 1
1 401 . 5 1 1 A 42 42 ILE CA C 42 63.200 62.973 0.227 1
1 402 . 5 1 1 A 42 42 ILE CB C 42 37.600 37.408 0.192 1
1 406 . 5 1 1 A 43 43 LEU H H 43 7.700 7.997 -0.297 1
1 407 . 5 1 1 A 43 43 LEU HA H 43 4.560 4.378 0.182 1
1 417 . 5 1 1 A 43 43 LEU C C 43 178.000 179.273 -1.273 1
1 418 . 5 1 1 A 43 43 LEU CA C 43 54.700 57.177 -2.477 1
1 419 . 5 1 1 A 43 43 LEU CB C 43 40.800 41.322 -0.522 1
1 423 . 5 1 1 A 43 43 LEU N N 43 117.500 120.589 -3.089 1
1 424 . 5 1 1 A 44 44 ASN H H 44 7.870 8.189 -0.319 1
1 425 . 5 1 1 A 44 44 ASN HA H 44 4.480 4.811 -0.331 1
1 428 . 5 1 1 A 44 44 ASN CA C 44 55.300 55.968 -0.668 1
1 429 . 5 1 1 A 44 44 ASN CB C 44 38.200 39.074 -0.874 1
1 430 . 5 1 1 A 44 44 ASN N N 44 118.400 118.254 0.146 1
1 431 . 5 1 1 A 45 45 LYS HA H 45 4.200 4.071 0.129 1
1 440 . 5 1 1 A 45 45 LYS C C 45 176.200 177.442 -1.242 1
1 441 . 5 1 1 A 45 45 LYS CA C 45 56.500 58.488 -1.988 1
1 442 . 5 1 1 A 45 45 LYS CB C 45 32.000 31.287 0.713 1
1 446 . 5 1 1 A 46 46 TYR H H 46 6.770 7.354 -0.584 1
1 447 . 5 1 1 A 46 46 TYR HA H 46 3.900 4.424 -0.524 1
1 454 . 5 1 1 A 46 46 TYR C C 46 175.500 175.088 0.412 1
1 455 . 5 1 1 A 46 46 TYR CA C 46 59.200 59.139 0.061 1
1 456 . 5 1 1 A 46 46 TYR CB C 46 38.700 38.609 0.091 1
1 459 . 5 1 1 A 46 46 TYR N N 46 117.400 118.390 -0.990 1
1 460 . 5 1 1 A 47 47 ASP H H 47 7.540 8.233 -0.693 1
1 461 . 5 1 1 A 47 47 ASP HA H 47 4.880 4.377 0.503 1
1 464 . 5 1 1 A 47 47 ASP C C 47 175.100 174.311 0.789 1
1 465 . 5 1 1 A 47 47 ASP CA C 47 56.100 55.027 1.073 1
1 466 . 5 1 1 A 47 47 ASP CB C 47 43.100 38.524 4.576 1
1 467 . 5 1 1 A 47 47 ASP N N 47 118.300 119.097 -0.797 1
1 468 . 5 1 1 A 48 48 TYR H H 48 8.640 7.944 0.696 1
1 469 . 5 1 1 A 48 48 TYR HA H 48 5.670 5.431 0.239 1
1 476 . 5 1 1 A 48 48 TYR C C 48 174.700 174.690 0.010 1
1 477 . 5 1 1 A 48 48 TYR CA C 48 55.900 56.810 -0.910 1
1 478 . 5 1 1 A 48 48 TYR CB C 48 43.500 40.949 2.551 1
1 481 . 5 1 1 A 48 48 TYR N N 48 116.700 119.011 -2.311 1
1 482 . 5 1 1 A 49 49 ILE H H 49 9.130 9.453 -0.323 1
1 483 . 5 1 1 A 49 49 ILE HA H 49 4.660 4.942 -0.282 1
1 493 . 5 1 1 A 49 49 ILE C C 49 173.900 174.874 -0.974 1
1 494 . 5 1 1 A 49 49 ILE CA C 49 59.400 60.019 -0.619 1
1 495 . 5 1 1 A 49 49 ILE CB C 49 40.700 39.918 0.782 1
1 499 . 5 1 1 A 49 49 ILE N N 49 119.500 124.246 -4.746 1
1 500 . 5 1 1 A 50 50 VAL H H 50 9.220 9.105 0.115 1
1 501 . 5 1 1 A 50 50 VAL HA H 50 4.860 4.690 0.170 1
1 509 . 5 1 1 A 50 50 VAL C C 50 175.200 175.346 -0.146 1
1 510 . 5 1 1 A 50 50 VAL CA C 50 60.100 61.322 -1.222 1
1 511 . 5 1 1 A 50 50 VAL CB C 50 33.400 32.590 0.810 1
1 514 . 5 1 1 A 50 50 VAL N N 50 128.600 129.553 -0.953 1
1 515 . 5 1 1 A 51 51 GLY H H 51 7.860 8.633 -0.773 1
1 516 . 5 1 1 A 51 51 GLY HA2 H 51 5.420 3.022 2.398 1
1 517 . 5 1 1 A 51 51 GLY HA3 H 51 2.080 3.858 -1.778 1
1 518 . 5 1 1 A 51 51 GLY C C 51 170.700 171.133 -0.433 1
1 519 . 5 1 1 A 51 51 GLY CA C 51 43.600 44.295 -0.695 1
1 520 . 5 1 1 A 51 51 GLY N N 51 116.100 114.915 1.185 1
1 521 . 5 1 1 A 52 52 ASP H H 52 8.940 8.386 0.554 1
1 522 . 5 1 1 A 52 52 ASP HA H 52 5.540 5.245 0.295 1
1 525 . 5 1 1 A 52 52 ASP C C 52 174.200 175.748 -1.548 1
1 526 . 5 1 1 A 52 52 ASP CA C 52 53.000 52.669 0.331 1
1 527 . 5 1 1 A 52 52 ASP CB C 52 47.100 43.800 3.300 1
1 528 . 5 1 1 A 52 52 ASP N N 52 121.200 123.866 -2.666 1
1 529 . 5 1 1 A 53 53 TRP H H 53 7.980 8.882 -0.902 1
1 530 . 5 1 1 A 53 53 TRP HA H 53 4.950 4.515 0.435 1
1 539 . 5 1 1 A 53 53 TRP C C 53 178.500 177.291 1.209 1
1 540 . 5 1 1 A 53 53 TRP CA C 53 56.200 59.901 -3.701 1
1 541 . 5 1 1 A 53 53 TRP CB C 53 28.500 30.005 -1.505 1
1 547 . 5 1 1 A 53 53 TRP N N 53 119.900 125.877 -5.977 1
1 549 . 5 1 1 A 54 54 GLY H H 54 10.320 8.330 1.990 1
1 550 . 5 1 1 A 54 54 GLY HA2 H 54 4.020 3.616 0.404 1
1 551 . 5 1 1 A 54 54 GLY HA3 H 54 4.020 3.712 0.308 1
1 552 . 5 1 1 A 54 54 GLY CA C 54 48.600 47.222 1.378 1
1 553 . 5 1 1 A 54 54 GLY N N 54 115.400 108.957 6.443 1
1 554 . 5 1 1 A 55 55 TYR HA H 55 4.890 4.622 0.268 1
1 561 . 5 1 1 A 55 55 TYR CA C 55 56.800 58.262 -1.462 1
1 562 . 5 1 1 A 55 55 TYR CB C 55 38.100 38.813 -0.713 1
1 565 . 5 1 1 A 56 56 GLY HA2 H 56 3.850 4.136 -0.286 1
1 566 . 5 1 1 A 56 56 GLY HA3 H 56 4.360 4.218 0.142 1
1 567 . 5 1 1 A 56 56 GLY C C 56 173.100 173.797 -0.697 1
1 568 . 5 1 1 A 56 56 GLY CA C 56 45.600 45.791 -0.191 1
1 569 . 5 1 1 A 57 57 GLN H H 57 7.380 7.916 -0.536 1
1 570 . 5 1 1 A 57 57 GLN HA H 57 4.660 5.020 -0.360 1
1 576 . 5 1 1 A 57 57 GLN C C 57 173.800 173.857 -0.057 1
1 577 . 5 1 1 A 57 57 GLN CA C 57 53.400 54.114 -0.714 1
1 578 . 5 1 1 A 57 57 GLN CB C 57 31.600 31.480 0.120 1
1 580 . 5 1 1 A 57 57 GLN N N 57 116.300 115.911 0.389 1
1 582 . 5 1 1 A 58 58 LEU H H 58 8.100 8.483 -0.383 1
1 583 . 5 1 1 A 58 58 LEU HA H 58 3.250 4.392 -1.142 1
1 593 . 5 1 1 A 58 58 LEU C C 58 174.200 175.288 -1.088 1
1 594 . 5 1 1 A 58 58 LEU CA C 58 55.500 54.081 1.419 1
1 595 . 5 1 1 A 58 58 LEU CB C 58 39.900 42.279 -2.379 1
1 599 . 5 1 1 A 58 58 LEU N N 58 124.400 126.778 -2.378 1
1 600 . 5 1 1 A 59 59 ARG H H 59 8.360 8.494 -0.134 1
1 601 . 5 1 1 A 59 59 ARG HA H 59 4.470 4.951 -0.481 1
1 608 . 5 1 1 A 59 59 ARG C C 59 174.000 174.533 -0.533 1
1 609 . 5 1 1 A 59 59 ARG CA C 59 54.200 54.265 -0.065 1
1 610 . 5 1 1 A 59 59 ARG CB C 59 33.000 33.896 -0.896 1
1 613 . 5 1 1 A 59 59 ARG N N 59 130.500 127.983 2.517 1
1 614 . 5 1 1 A 60 60 LEU H H 60 8.480 8.890 -0.410 1
1 615 . 5 1 1 A 60 60 LEU HA H 60 5.260 4.854 0.406 1
1 625 . 5 1 1 A 60 60 LEU C C 60 176.000 175.177 0.823 1
1 626 . 5 1 1 A 60 60 LEU CA C 60 52.500 54.093 -1.593 1
1 627 . 5 1 1 A 60 60 LEU CB C 60 44.200 41.951 2.249 1
1 631 . 5 1 1 A 60 60 LEU N N 60 122.400 126.956 -4.556 1
1 632 . 5 1 1 A 61 61 LYS H H 61 8.900 9.196 -0.296 1
1 633 . 5 1 1 A 61 61 LYS HA H 61 4.160 4.774 -0.614 1
1 642 . 5 1 1 A 61 61 LYS C C 61 174.200 175.897 -1.697 1
1 643 . 5 1 1 A 61 61 LYS CA C 61 54.800 54.352 0.448 1
1 644 . 5 1 1 A 61 61 LYS CB C 61 36.600 34.756 1.844 1
1 648 . 5 1 1 A 61 61 LYS N N 61 123.800 125.796 -1.996 1
1 649 . 5 1 1 A 62 62 GLY H H 62 8.140 8.612 -0.472 1
1 650 . 5 1 1 A 62 62 GLY HA2 H 62 4.160 2.858 1.302 1
1 651 . 5 1 1 A 62 62 GLY HA3 H 62 4.160 3.806 0.354 1
1 652 . 5 1 1 A 62 62 GLY C C 62 172.000 172.381 -0.381 1
1 653 . 5 1 1 A 62 62 GLY CA C 62 43.000 44.533 -1.533 1
1 654 . 5 1 1 A 62 62 GLY N N 62 114.000 113.238 0.762 1
1 655 . 5 1 1 A 63 63 PHE H H 63 8.500 8.453 0.047 1
1 656 . 5 1 1 A 63 63 PHE HA H 63 4.800 5.018 -0.218 1
1 664 . 5 1 1 A 63 63 PHE C C 63 175.400 174.500 0.900 1
1 665 . 5 1 1 A 63 63 PHE CA C 63 55.800 56.024 -0.224 1
1 666 . 5 1 1 A 63 63 PHE CB C 63 46.200 43.477 2.723 1
1 670 . 5 1 1 A 63 63 PHE N N 63 118.600 121.249 -2.649 1
1 671 . 5 1 1 A 64 64 PHE H H 64 9.930 8.909 1.021 1
1 672 . 5 1 1 A 64 64 PHE HA H 64 5.460 5.287 0.173 1
1 679 . 5 1 1 A 64 64 PHE C C 64 175.600 175.290 0.310 1
1 680 . 5 1 1 A 64 64 PHE CA C 64 57.500 57.570 -0.070 1
1 681 . 5 1 1 A 64 64 PHE CB C 64 43.100 42.305 0.795 1
1 684 . 5 1 1 A 64 64 PHE N N 64 120.100 119.016 1.084 1
1 685 . 5 1 1 A 65 65 ASP H H 65 10.950 8.886 2.064 1
1 686 . 5 1 1 A 65 65 ASP HA H 65 4.860 4.429 0.431 1
1 689 . 5 1 1 A 65 65 ASP C C 65 177.400 175.270 2.130 1
1 690 . 5 1 1 A 65 65 ASP CA C 65 56.400 54.902 1.498 1
1 691 . 5 1 1 A 65 65 ASP CB C 65 42.800 41.296 1.504 1
1 692 . 5 1 1 A 65 65 ASP N N 65 123.200 121.789 1.411 1
1 693 . 5 1 1 A 66 66 ASP H H 66 8.470 8.734 -0.264 1
1 694 . 5 1 1 A 66 66 ASP HA H 66 4.110 5.155 -1.045 1
1 697 . 5 1 1 A 66 66 ASP C C 66 175.300 175.835 -0.535 1
1 698 . 5 1 1 A 66 66 ASP CA C 66 57.800 52.457 5.343 1
1 699 . 5 1 1 A 66 66 ASP CB C 66 42.000 44.308 -2.308 1
1 700 . 5 1 1 A 66 66 ASP N N 66 122.800 123.843 -1.043 1
1 701 . 5 1 1 A 67 67 GLN H H 67 8.500 9.268 -0.768 1
1 702 . 5 1 1 A 67 67 GLN HA H 67 4.250 3.937 0.313 1
1 707 . 5 1 1 A 67 67 GLN C C 67 175.900 175.383 0.517 1
1 708 . 5 1 1 A 67 67 GLN CA C 67 55.400 58.596 -3.196 1
1 709 . 5 1 1 A 67 67 GLN CB C 67 28.300 27.189 1.111 1
1 711 . 5 1 1 A 68 68 ASN H H 68 7.880 8.734 -0.854 1
1 712 . 5 1 1 A 68 68 ASN HA H 68 4.430 4.611 -0.181 1
1 714 . 5 1 1 A 68 68 ASN CA C 68 53.300 55.824 -2.524 1
1 715 . 5 1 1 A 68 68 ASN CB C 68 39.300 38.080 1.220 1
1 716 . 5 1 1 A 68 68 ASN N N 68 121.500 118.343 3.157 1
1 722 . 5 1 1 A 73 73 PHE HA H 73 4.190 4.985 -0.795 1
1 730 . 5 1 1 A 73 73 PHE CA C 73 61.300 56.311 4.989 1
1 731 . 5 1 1 A 73 73 PHE CB C 73 38.600 39.430 -0.830 1
1 735 . 5 1 1 A 74 74 GLU HA H 74 4.290 4.386 -0.096 1
1 738 . 5 1 1 A 74 74 GLU CA C 74 56.800 58.701 -1.901 1
1 739 . 5 1 1 A 74 74 GLU CB C 74 29.900 29.809 0.091 1
1 741 . 5 1 1 A 75 75 THR HA H 75 4.180 4.349 -0.169 1
1 746 . 5 1 1 A 75 75 THR C C 75 174.100 174.002 0.098 1
1 747 . 5 1 1 A 75 75 THR CA C 75 60.700 63.397 -2.697 1
1 748 . 5 1 1 A 75 75 THR CB C 75 69.800 69.412 0.388 1
1 750 . 5 1 1 A 76 76 LYS HA H 76 3.880 4.926 -1.046 1
1 759 . 5 1 1 A 76 76 LYS CA C 76 55.900 54.971 0.929 1
1 760 . 5 1 1 A 76 76 LYS CB C 76 32.100 34.390 -2.290 1
1 764 . 5 1 1 A 77 77 ILE H H 77 9.060 8.870 0.190 1
1 765 . 5 1 1 A 77 77 ILE HA H 77 3.850 4.304 -0.454 1
1 775 . 5 1 1 A 77 77 ILE C C 77 175.900 176.230 -0.330 1
1 776 . 5 1 1 A 77 77 ILE CA C 77 59.600 61.021 -1.421 1
1 777 . 5 1 1 A 77 77 ILE CB C 77 38.400 37.619 0.781 1
1 781 . 5 1 1 A 77 77 ILE N N 77 126.900 128.349 -1.449 1
1 782 . 5 1 1 A 78 78 SER H H 78 8.730 8.931 -0.201 1
1 783 . 5 1 1 A 78 78 SER HA H 78 4.140 4.103 0.037 1
1 786 . 5 1 1 A 78 78 SER C C 78 176.200 176.641 -0.441 1
1 787 . 5 1 1 A 78 78 SER CA C 78 60.800 61.190 -0.390 1
1 788 . 5 1 1 A 78 78 SER CB C 78 61.200 62.959 -1.759 1
1 789 . 5 1 1 A 78 78 SER N N 78 119.000 123.969 -4.969 1
1 790 . 5 1 1 A 79 79 THR H H 79 8.050 7.566 0.484 1
1 791 . 5 1 1 A 79 79 THR HA H 79 4.580 4.035 0.545 1
1 796 . 5 1 1 A 79 79 THR C C 79 174.400 176.385 -1.985 1
1 797 . 5 1 1 A 79 79 THR CA C 79 62.200 65.477 -3.277 1
1 798 . 5 1 1 A 79 79 THR CB C 79 69.300 68.728 0.572 1
1 800 . 5 1 1 A 79 79 THR N N 79 114.300 115.049 -0.749 1
1 801 . 5 1 1 A 80 80 LEU H H 80 7.470 7.934 -0.464 1
1 802 . 5 1 1 A 80 80 LEU HA H 80 3.580 3.828 -0.248 1
1 812 . 5 1 1 A 80 80 LEU C C 80 176.500 178.038 -1.538 1
1 813 . 5 1 1 A 80 80 LEU CA C 80 58.400 57.852 0.548 1
1 814 . 5 1 1 A 80 80 LEU CB C 80 41.800 41.603 0.197 1
1 818 . 5 1 1 A 80 80 LEU N N 80 123.200 122.030 1.170 1
1 819 . 5 1 1 A 81 81 ASP H H 81 8.450 7.963 0.487 1
1 820 . 5 1 1 A 81 81 ASP HA H 81 4.060 4.222 -0.162 1
1 823 . 5 1 1 A 81 81 ASP C C 81 178.700 178.242 0.458 1
1 824 . 5 1 1 A 81 81 ASP CA C 81 57.600 57.863 -0.263 1
1 825 . 5 1 1 A 81 81 ASP CB C 81 39.500 42.215 -2.715 1
1 826 . 5 1 1 A 81 81 ASP N N 81 116.000 119.307 -3.307 1
1 827 . 5 1 1 A 82 82 GLU H H 82 7.800 7.462 0.338 1
1 828 . 5 1 1 A 82 82 GLU HA H 82 4.030 4.018 0.012 1
1 833 . 5 1 1 A 82 82 GLU C C 82 178.500 178.514 -0.014 1
1 834 . 5 1 1 A 82 82 GLU CA C 82 59.100 58.890 0.210 1
1 835 . 5 1 1 A 82 82 GLU CB C 82 29.300 29.519 -0.219 1
1 837 . 5 1 1 A 82 82 GLU N N 82 120.400 118.663 1.737 1
1 838 . 5 1 1 A 83 83 TYR H H 83 8.190 7.999 0.191 1
1 839 . 5 1 1 A 83 83 TYR HA H 83 4.410 4.306 0.104 1
1 846 . 5 1 1 A 83 83 TYR C C 83 176.700 177.268 -0.568 1
1 847 . 5 1 1 A 83 83 TYR CA C 83 60.900 61.414 -0.514 1
1 848 . 5 1 1 A 83 83 TYR CB C 83 37.600 38.696 -1.096 1
1 851 . 5 1 1 A 83 83 TYR N N 83 122.900 122.156 0.744 1
1 852 . 5 1 1 A 84 84 ILE H H 84 8.400 8.686 -0.286 1
1 853 . 5 1 1 A 84 84 ILE HA H 84 3.240 3.557 -0.317 1
1 863 . 5 1 1 A 84 84 ILE C C 84 178.000 177.826 0.174 1
1 864 . 5 1 1 A 84 84 ILE CA C 84 60.800 65.073 -4.273 1
1 865 . 5 1 1 A 84 84 ILE CB C 84 35.500 37.349 -1.849 1
1 869 . 5 1 1 A 84 84 ILE N N 84 119.100 120.331 -1.231 1
1 870 . 5 1 1 A 85 85 TYR H H 85 7.820 7.923 -0.103 1
1 871 . 5 1 1 A 85 85 TYR HA H 85 3.910 4.025 -0.115 1
1 878 . 5 1 1 A 85 85 TYR C C 85 176.800 177.843 -1.043 1
1 879 . 5 1 1 A 85 85 TYR CA C 85 60.700 61.268 -0.568 1
1 880 . 5 1 1 A 85 85 TYR CB C 85 37.900 38.787 -0.887 1
1 883 . 5 1 1 A 85 85 TYR N N 85 119.100 121.605 -2.505 1
1 884 . 5 1 1 A 86 86 GLU H H 86 7.660 7.870 -0.210 1
1 885 . 5 1 1 A 86 86 GLU HA H 86 3.690 4.126 -0.436 1
1 890 . 5 1 1 A 86 86 GLU C C 86 177.900 178.155 -0.255 1
1 891 . 5 1 1 A 86 86 GLU CA C 86 58.200 58.723 -0.523 1
1 892 . 5 1 1 A 86 86 GLU CB C 86 29.500 30.066 -0.566 1
1 894 . 5 1 1 A 86 86 GLU N N 86 116.700 119.117 -2.417 1
1 895 . 5 1 1 A 87 87 TYR H H 87 8.010 7.811 0.199 1
1 896 . 5 1 1 A 87 87 TYR HA H 87 4.090 4.154 -0.064 1
1 903 . 5 1 1 A 87 87 TYR C C 87 176.000 176.452 -0.452 1
1 904 . 5 1 1 A 87 87 TYR CA C 87 60.100 59.928 0.172 1
1 905 . 5 1 1 A 87 87 TYR CB C 87 37.300 38.273 -0.973 1
1 908 . 5 1 1 A 87 87 TYR N N 87 114.900 117.921 -3.021 1
1 909 . 5 1 1 A 88 88 CYS H H 88 8.300 7.896 0.404 1
1 910 . 5 1 1 A 88 88 CYS HA H 88 4.760 4.444 0.316 1
1 913 . 5 1 1 A 88 88 CYS CA C 88 53.500 56.104 -2.604 1
1 914 . 5 1 1 A 88 88 CYS CB C 88 42.000 42.210 -0.210 1
1 915 . 5 1 1 A 88 88 CYS N N 88 119.700 116.171 3.529 1
1 916 . 5 1 1 A 89 89 ASN C C 89 176.500 174.815 1.685 1
1 917 . 5 1 1 A 90 90 PHE HA H 90 4.590 4.050 0.540 1
1 925 . 5 1 1 A 90 90 PHE CA C 90 57.400 59.355 -1.955 1
1 926 . 5 1 1 A 90 90 PHE CB C 90 38.200 38.851 -0.651 1
1 930 . 5 1 1 A 92 92 CYS HA H 92 4.660 4.713 -0.053 1
1 933 . 5 1 1 A 92 92 CYS C C 92 172.000 172.657 -0.657 1
1 934 . 5 1 1 A 92 92 CYS CA C 92 55.000 55.080 -0.080 1
1 935 . 5 1 1 A 92 92 CYS CB C 92 47.400 43.699 3.701 1
1 936 . 5 1 1 A 93 93 ALA H H 93 8.670 8.514 0.156 1
1 937 . 5 1 1 A 93 93 ALA HA H 93 4.520 5.725 -1.205 1
1 941 . 5 1 1 A 93 93 ALA C C 93 177.400 176.448 0.952 1
1 942 . 5 1 1 A 93 93 ALA CA C 93 52.400 50.521 1.879 1
1 943 . 5 1 1 A 93 93 ALA CB C 93 19.800 21.891 -2.091 1
1 944 . 5 1 1 A 93 93 ALA N N 93 126.000 123.061 2.939 1
1 945 . 5 1 1 A 94 94 TYR H H 94 8.460 8.412 0.048 1
1 946 . 5 1 1 A 94 94 TYR HA H 94 5.570 5.811 -0.241 1
1 953 . 5 1 1 A 94 94 TYR C C 94 171.500 173.585 -2.085 1
1 954 . 5 1 1 A 94 94 TYR CA C 94 57.200 56.186 1.014 1
1 955 . 5 1 1 A 94 94 TYR CB C 94 39.800 41.258 -1.458 1
1 958 . 5 1 1 A 94 94 TYR N N 94 116.200 118.008 -1.808 1
1 959 . 5 1 1 A 95 95 PHE H H 95 9.220 9.093 0.127 1
1 960 . 5 1 1 A 95 95 PHE HA H 95 5.280 5.486 -0.206 1
1 967 . 5 1 1 A 95 95 PHE C C 95 172.900 172.943 -0.043 1
1 968 . 5 1 1 A 95 95 PHE CA C 95 55.200 56.045 -0.845 1
1 969 . 5 1 1 A 95 95 PHE CB C 95 42.400 41.949 0.451 1
1 972 . 5 1 1 A 95 95 PHE N N 95 114.100 116.501 -2.401 1
1 973 . 5 1 1 A 96 96 VAL H H 96 9.130 8.804 0.326 1
1 974 . 5 1 1 A 96 96 VAL HA H 96 4.860 5.137 -0.277 1
1 982 . 5 1 1 A 96 96 VAL C C 96 174.800 174.495 0.305 1
1 983 . 5 1 1 A 96 96 VAL CA C 96 61.400 61.193 0.207 1
1 984 . 5 1 1 A 96 96 VAL CB C 96 35.100 35.007 0.093 1
1 987 . 5 1 1 A 96 96 VAL N N 96 118.400 120.042 -1.642 1
1 988 . 5 1 1 A 97 97 LEU H H 97 9.610 9.467 0.143 1
1 989 . 5 1 1 A 97 97 LEU HA H 97 5.380 5.197 0.183 1
1 999 . 5 1 1 A 97 97 LEU C C 97 175.700 175.400 0.300 1
1 1000 . 5 1 1 A 97 97 LEU CA C 97 52.100 53.121 -1.021 1
1 1001 . 5 1 1 A 97 97 LEU CB C 97 44.500 44.673 -0.173 1
1 1005 . 5 1 1 A 97 97 LEU N N 97 126.100 127.265 -1.165 1
1 1006 . 5 1 1 A 98 98 LYS H H 98 9.660 9.135 0.525 1
1 1007 . 5 1 1 A 98 98 LYS HA H 98 4.740 5.176 -0.436 1
1 1016 . 5 1 1 A 98 98 LYS C C 98 175.500 175.695 -0.195 1
1 1017 . 5 1 1 A 98 98 LYS CA C 98 54.400 54.594 -0.194 1
1 1018 . 5 1 1 A 98 98 LYS CB C 98 37.500 35.706 1.794 1
1 1022 . 5 1 1 A 98 98 LYS N N 98 123.900 124.334 -0.434 1
1 1023 . 5 1 1 A 99 99 ARG H H 99 8.400 8.548 -0.148 1
1 1024 . 5 1 1 A 99 99 ARG HA H 99 4.040 4.076 -0.036 1
1 1031 . 5 1 1 A 99 99 ARG C C 99 174.800 175.894 -1.094 1
1 1032 . 5 1 1 A 99 99 ARG CA C 99 55.500 55.985 -0.485 1
1 1033 . 5 1 1 A 99 99 ARG CB C 99 30.000 30.561 -0.561 1
1 1036 . 5 1 1 A 99 99 ARG N N 99 128.700 128.236 0.464 1
1 1037 . 5 1 1 A 100 100 ILE H H 100 8.660 8.684 -0.024 1
1 1038 . 5 1 1 A 100 100 ILE HA H 100 4.150 4.184 -0.034 1
1 1048 . 5 1 1 A 100 100 ILE CA C 100 59.100 60.816 -1.716 1
1 1049 . 5 1 1 A 100 100 ILE CB C 100 36.300 38.289 -1.989 1
1 1053 . 5 1 1 A 100 100 ILE N N 100 130.500 126.968 3.532 1
1 1054 . 5 1 1 A 101 101 ARG C C 101 177.000 175.101 1.899 1
1 1055 . 5 1 1 A 102 102 LYS C C 102 178.900 175.247 3.653 1
1 1056 . 5 1 1 A 103 103 LEU HA H 103 4.230 4.684 -0.454 1
1 1066 . 5 1 1 A 103 103 LEU CA C 103 54.900 54.076 0.824 1
1 1067 . 5 1 1 A 103 103 LEU CB C 103 42.100 45.232 -3.132 1
1 1071 . 5 1 1 A 104 104 GLU HA H 104 4.010 4.432 -0.422 1
1 1075 . 5 1 1 A 104 104 GLU CA C 104 58.300 56.763 1.537 1
1 1076 . 5 1 1 A 104 104 GLU CB C 104 28.300 29.752 -1.452 1
1 1 . 6 1 1 A 10 10 GLU HA H 10 4.230 4.619 -0.389 1
1 6 . 6 1 1 A 10 10 GLU C C 10 176.100 174.719 1.381 1
1 7 . 6 1 1 A 10 10 GLU CA C 10 56.800 57.633 -0.833 1
1 8 . 6 1 1 A 10 10 GLU CB C 10 30.400 31.868 -1.468 1
1 10 . 6 1 1 A 11 11 ILE H H 11 8.270 7.952 0.318 1
1 11 . 6 1 1 A 11 11 ILE HA H 11 4.100 4.448 -0.348 1
1 21 . 6 1 1 A 11 11 ILE C C 11 173.900 174.368 -0.468 1
1 22 . 6 1 1 A 11 11 ILE CA C 11 60.900 60.636 0.264 1
1 23 . 6 1 1 A 11 11 ILE CB C 11 38.300 39.619 -1.319 1
1 27 . 6 1 1 A 11 11 ILE N N 11 121.800 119.354 2.446 1
1 28 . 6 1 1 A 12 12 MET H H 12 8.150 8.912 -0.762 1
1 29 . 6 1 1 A 12 12 MET HA H 12 5.250 5.354 -0.104 1
1 37 . 6 1 1 A 12 12 MET C C 12 175.500 175.143 0.357 1
1 38 . 6 1 1 A 12 12 MET CA C 12 53.100 53.371 -0.271 1
1 39 . 6 1 1 A 12 12 MET CB C 12 33.600 34.618 -1.018 1
1 42 . 6 1 1 A 12 12 MET N N 12 125.200 125.794 -0.594 1
1 43 . 6 1 1 A 13 13 ILE H H 13 9.200 9.414 -0.214 1
1 44 . 6 1 1 A 13 13 ILE HA H 13 4.400 4.794 -0.394 1
1 54 . 6 1 1 A 13 13 ILE C C 13 173.500 174.772 -1.272 1
1 55 . 6 1 1 A 13 13 ILE CA C 13 59.600 60.671 -1.071 1
1 56 . 6 1 1 A 13 13 ILE CB C 13 40.500 39.048 1.452 1
1 60 . 6 1 1 A 13 13 ILE N N 13 123.700 124.385 -0.685 1
1 61 . 6 1 1 A 14 14 LEU H H 14 8.550 9.157 -0.607 1
1 62 . 6 1 1 A 14 14 LEU HA H 14 5.200 5.193 0.007 1
1 72 . 6 1 1 A 14 14 LEU C C 14 176.100 175.772 0.328 1
1 73 . 6 1 1 A 14 14 LEU CA C 14 53.700 53.453 0.247 1
1 74 . 6 1 1 A 14 14 LEU CB C 14 43.700 43.222 0.478 1
1 78 . 6 1 1 A 14 14 LEU N N 14 128.800 128.952 -0.152 1
1 79 . 6 1 1 A 15 15 ILE H H 15 8.780 9.069 -0.289 1
1 80 . 6 1 1 A 15 15 ILE HA H 15 4.350 4.660 -0.310 1
1 90 . 6 1 1 A 15 15 ILE CA C 15 58.700 58.877 -0.177 1
1 91 . 6 1 1 A 15 15 ILE CB C 15 39.800 40.333 -0.533 1
1 95 . 6 1 1 A 15 15 ILE N N 15 123.000 123.245 -0.245 1
1 96 . 6 1 1 A 16 16 GLN HA H 16 3.710 3.860 -0.150 1
1 100 . 6 1 1 A 16 16 GLN CA C 16 57.700 57.365 0.335 1
1 101 . 6 1 1 A 16 16 GLN CB C 16 26.500 28.500 -2.000 1
1 103 . 6 1 1 A 17 17 ASN HA H 17 4.460 4.204 0.256 1
1 108 . 6 1 1 A 17 17 ASN C C 17 173.300 173.812 -0.512 1
1 109 . 6 1 1 A 17 17 ASN CA C 17 53.900 54.564 -0.664 1
1 110 . 6 1 1 A 17 17 ASN CB C 17 38.100 37.229 0.871 1
1 112 . 6 1 1 A 18 18 ALA H H 18 8.450 7.434 1.016 1
1 113 . 6 1 1 A 18 18 ALA HA H 18 4.250 4.720 -0.470 1
1 117 . 6 1 1 A 18 18 ALA C C 18 174.000 174.710 -0.710 1
1 118 . 6 1 1 A 18 18 ALA CA C 18 51.600 51.104 0.496 1
1 119 . 6 1 1 A 18 18 ALA CB C 18 20.500 22.409 -1.909 1
1 120 . 6 1 1 A 18 18 ALA N N 18 125.200 118.996 6.204 1
1 121 . 6 1 1 A 19 19 GLU H H 19 7.930 8.772 -0.842 1
1 122 . 6 1 1 A 19 19 GLU HA H 19 5.000 4.922 0.078 1
1 127 . 6 1 1 A 19 19 GLU C C 19 174.500 175.025 -0.525 1
1 128 . 6 1 1 A 19 19 GLU CA C 19 54.400 54.519 -0.119 1
1 129 . 6 1 1 A 19 19 GLU CB C 19 32.500 32.558 -0.058 1
1 131 . 6 1 1 A 19 19 GLU N N 19 121.700 122.997 -1.297 1
1 132 . 6 1 1 A 20 20 PHE H H 20 9.110 9.286 -0.176 1
1 133 . 6 1 1 A 20 20 PHE HA H 20 5.340 5.422 -0.082 1
1 141 . 6 1 1 A 20 20 PHE C C 20 173.900 174.284 -0.384 1
1 142 . 6 1 1 A 20 20 PHE CA C 20 55.800 56.953 -1.153 1
1 143 . 6 1 1 A 20 20 PHE CB C 20 44.800 43.759 1.041 1
1 147 . 6 1 1 A 20 20 PHE N N 20 120.100 125.318 -5.218 1
1 148 . 6 1 1 A 21 21 GLU H H 21 9.200 8.866 0.334 1
1 149 . 6 1 1 A 21 21 GLU HA H 21 5.040 5.029 0.011 1
1 154 . 6 1 1 A 21 21 GLU C C 21 176.200 174.587 1.613 1
1 155 . 6 1 1 A 21 21 GLU CA C 21 53.700 54.648 -0.948 1
1 156 . 6 1 1 A 21 21 GLU CB C 21 33.600 33.627 -0.027 1
1 158 . 6 1 1 A 21 21 GLU N N 21 120.800 118.739 2.061 1
1 159 . 6 1 1 A 22 22 LEU H H 22 8.590 8.848 -0.258 1
1 160 . 6 1 1 A 22 22 LEU HA H 22 4.420 4.381 0.039 1
1 170 . 6 1 1 A 22 22 LEU C C 22 175.200 177.135 -1.935 1
1 171 . 6 1 1 A 22 22 LEU CA C 22 54.900 54.554 0.346 1
1 172 . 6 1 1 A 22 22 LEU CB C 22 41.000 41.562 -0.562 1
1 176 . 6 1 1 A 22 22 LEU N N 22 127.900 125.200 2.700 1
1 177 . 6 1 1 A 23 23 VAL H H 23 8.350 8.603 -0.253 1
1 178 . 6 1 1 A 23 23 VAL HA H 23 4.460 4.288 0.172 1
1 186 . 6 1 1 A 23 23 VAL C C 23 175.500 175.738 -0.238 1
1 187 . 6 1 1 A 23 23 VAL CA C 23 62.100 62.811 -0.711 1
1 188 . 6 1 1 A 23 23 VAL CB C 23 32.600 32.612 -0.012 1
1 191 . 6 1 1 A 23 23 VAL N N 23 122.700 121.861 0.839 1
1 192 . 6 1 1 A 24 24 HIS H H 24 7.590 7.236 0.354 1
1 193 . 6 1 1 A 24 24 HIS HA H 24 4.750 4.808 -0.058 1
1 197 . 6 1 1 A 24 24 HIS CA C 24 56.800 56.239 0.561 1
1 198 . 6 1 1 A 24 24 HIS CB C 24 34.800 33.013 1.787 1
1 200 . 6 1 1 A 24 24 HIS N N 24 118.300 120.717 -2.417 1
1 201 . 6 1 1 A 25 25 ASN HA H 25 5.070 4.973 0.097 1
1 206 . 6 1 1 A 25 25 ASN C C 25 172.500 172.875 -0.375 1
1 207 . 6 1 1 A 25 25 ASN CA C 25 52.000 52.434 -0.434 1
1 208 . 6 1 1 A 25 25 ASN CB C 25 40.400 41.487 -1.087 1
1 210 . 6 1 1 A 26 26 PHE H H 26 9.000 8.853 0.147 1
1 211 . 6 1 1 A 26 26 PHE HA H 26 4.540 4.606 -0.066 1
1 219 . 6 1 1 A 26 26 PHE C C 26 174.500 175.739 -1.239 1
1 220 . 6 1 1 A 26 26 PHE CA C 26 57.100 57.513 -0.413 1
1 221 . 6 1 1 A 26 26 PHE CB C 26 40.900 41.024 -0.124 1
1 225 . 6 1 1 A 26 26 PHE N N 26 128.200 127.448 0.752 1
1 226 . 6 1 1 A 27 27 LYS H H 27 8.700 8.719 -0.019 1
1 227 . 6 1 1 A 27 27 LYS HA H 27 3.290 3.809 -0.519 1
1 236 . 6 1 1 A 27 27 LYS C C 27 174.500 175.056 -0.556 1
1 237 . 6 1 1 A 27 27 LYS CA C 27 56.800 57.420 -0.620 1
1 238 . 6 1 1 A 27 27 LYS CB C 27 29.500 31.674 -2.174 1
1 242 . 6 1 1 A 27 27 LYS N N 27 126.000 126.723 -0.723 1
1 243 . 6 1 1 A 28 28 ASP H H 28 8.560 8.452 0.108 1
1 244 . 6 1 1 A 28 28 ASP HA H 28 4.080 4.309 -0.229 1
1 247 . 6 1 1 A 28 28 ASP C C 28 174.700 177.002 -2.302 1
1 248 . 6 1 1 A 28 28 ASP CA C 28 54.800 55.615 -0.815 1
1 249 . 6 1 1 A 28 28 ASP CB C 28 39.100 39.086 0.014 1
1 250 . 6 1 1 A 28 28 ASP N N 28 112.300 113.393 -1.093 1
1 251 . 6 1 1 A 29 29 GLY H H 29 7.160 8.000 -0.840 1
1 252 . 6 1 1 A 29 29 GLY HA2 H 29 3.490 3.897 -0.407 1
1 253 . 6 1 1 A 29 29 GLY HA3 H 29 3.780 4.119 -0.339 1
1 254 . 6 1 1 A 29 29 GLY C C 29 174.800 174.639 0.161 1
1 255 . 6 1 1 A 29 29 GLY CA C 29 47.600 45.964 1.636 1
1 256 . 6 1 1 A 29 29 GLY N N 29 101.900 106.066 -4.166 1
1 257 . 6 1 1 A 30 30 PHE H H 30 9.400 7.654 1.746 1
1 258 . 6 1 1 A 30 30 PHE HA H 30 3.380 3.886 -0.506 1
1 266 . 6 1 1 A 30 30 PHE CA C 30 60.700 57.824 2.876 1
1 267 . 6 1 1 A 30 30 PHE CB C 30 37.700 38.819 -1.119 1
1 271 . 6 1 1 A 30 30 PHE N N 30 120.800 121.665 -0.865 1
1 272 . 6 1 1 A 31 31 ASN H H 31 5.090 8.278 -3.188 1
1 273 . 6 1 1 A 31 31 ASN HA H 31 4.220 4.721 -0.501 1
1 276 . 6 1 1 A 31 31 ASN CA C 31 52.400 51.113 1.287 1
1 277 . 6 1 1 A 31 31 ASN CB C 31 41.100 38.995 2.105 1
1 278 . 6 1 1 A 31 31 ASN N N 31 125.400 126.404 -1.004 1
1 279 . 6 1 1 A 32 32 GLU HA H 32 3.290 3.290 0.000 1
1 284 . 6 1 1 A 32 32 GLU C C 32 176.900 177.969 -1.069 1
1 285 . 6 1 1 A 32 32 GLU CA C 32 60.600 59.903 0.697 1
1 286 . 6 1 1 A 32 32 GLU CB C 32 29.500 29.300 0.200 1
1 288 . 6 1 1 A 33 33 GLU H H 33 8.320 8.275 0.045 1
1 289 . 6 1 1 A 33 33 GLU HA H 33 3.880 4.070 -0.190 1
1 294 . 6 1 1 A 33 33 GLU C C 33 179.300 178.909 0.391 1
1 295 . 6 1 1 A 33 33 GLU CA C 33 59.600 59.169 0.431 1
1 296 . 6 1 1 A 33 33 GLU CB C 33 28.700 29.512 -0.812 1
1 298 . 6 1 1 A 33 33 GLU N N 33 119.000 117.588 1.412 1
1 299 . 6 1 1 A 34 34 ALA H H 34 8.330 7.639 0.691 1
1 300 . 6 1 1 A 34 34 ALA HA H 34 4.130 4.128 0.002 1
1 304 . 6 1 1 A 34 34 ALA C C 34 179.600 179.701 -0.101 1
1 305 . 6 1 1 A 34 34 ALA CA C 34 54.400 54.987 -0.587 1
1 306 . 6 1 1 A 34 34 ALA CB C 34 18.400 18.307 0.093 1
1 307 . 6 1 1 A 34 34 ALA N N 34 122.200 122.211 -0.011 1
1 308 . 6 1 1 A 35 35 PHE H H 35 8.040 8.225 -0.185 1
1 309 . 6 1 1 A 35 35 PHE HA H 35 4.020 4.193 -0.173 1
1 317 . 6 1 1 A 35 35 PHE C C 35 176.100 177.653 -1.553 1
1 318 . 6 1 1 A 35 35 PHE CA C 35 61.000 61.358 -0.358 1
1 319 . 6 1 1 A 35 35 PHE CB C 35 39.000 39.245 -0.245 1
1 323 . 6 1 1 A 35 35 PHE N N 35 117.100 119.870 -2.770 1
1 324 . 6 1 1 A 36 36 LYS H H 36 8.490 8.474 0.016 1
1 325 . 6 1 1 A 36 36 LYS HA H 36 3.320 3.936 -0.616 1
1 334 . 6 1 1 A 36 36 LYS C C 36 178.000 178.077 -0.077 1
1 335 . 6 1 1 A 36 36 LYS CA C 36 59.800 58.678 1.122 1
1 336 . 6 1 1 A 36 36 LYS CB C 36 32.100 31.503 0.597 1
1 340 . 6 1 1 A 36 36 LYS N N 36 118.100 118.196 -0.096 1
1 341 . 6 1 1 A 37 37 ALA H H 37 7.450 7.390 0.060 1
1 342 . 6 1 1 A 37 37 ALA HA H 37 4.130 4.171 -0.041 1
1 346 . 6 1 1 A 37 37 ALA C C 37 178.500 178.228 0.272 1
1 347 . 6 1 1 A 37 37 ALA CA C 37 53.600 53.778 -0.178 1
1 348 . 6 1 1 A 37 37 ALA CB C 37 18.500 18.724 -0.224 1
1 349 . 6 1 1 A 37 37 ALA N N 37 117.700 121.369 -3.669 1
1 350 . 6 1 1 A 38 38 ARG H H 38 7.160 7.383 -0.223 1
1 351 . 6 1 1 A 38 38 ARG HA H 38 4.340 4.463 -0.123 1
1 358 . 6 1 1 A 38 38 ARG C C 38 175.400 175.738 -0.338 1
1 359 . 6 1 1 A 38 38 ARG CA C 38 54.200 55.432 -1.232 1
1 360 . 6 1 1 A 38 38 ARG CB C 38 31.400 31.043 0.357 1
1 363 . 6 1 1 A 38 38 ARG N N 38 114.800 114.996 -0.196 1
1 364 . 6 1 1 A 39 39 TYR H H 39 7.510 7.265 0.245 1
1 365 . 6 1 1 A 39 39 TYR HA H 39 3.350 4.154 -0.804 1
1 372 . 6 1 1 A 39 39 TYR C C 39 173.700 174.715 -1.015 1
1 373 . 6 1 1 A 39 39 TYR CA C 39 60.800 59.010 1.790 1
1 374 . 6 1 1 A 39 39 TYR CB C 39 38.000 38.489 -0.489 1
1 377 . 6 1 1 A 39 39 TYR N N 39 122.600 123.043 -0.443 1
1 378 . 6 1 1 A 40 40 SER H H 40 5.730 8.419 -2.689 1
1 379 . 6 1 1 A 40 40 SER HA H 40 4.470 4.344 0.126 1
1 382 . 6 1 1 A 40 40 SER CA C 40 56.100 58.517 -2.417 1
1 383 . 6 1 1 A 40 40 SER CB C 40 65.100 63.553 1.547 1
1 384 . 6 1 1 A 40 40 SER N N 40 119.100 124.458 -5.358 1
1 385 . 6 1 1 A 41 41 ASP HA H 41 4.210 3.990 0.220 1
1 388 . 6 1 1 A 41 41 ASP CA C 41 56.700 57.810 -1.110 1
1 389 . 6 1 1 A 41 41 ASP CB C 41 40.500 40.993 -0.493 1
1 390 . 6 1 1 A 42 42 ILE HA H 42 4.030 3.864 0.166 1
1 400 . 6 1 1 A 42 42 ILE C C 42 176.600 177.948 -1.348 1
1 401 . 6 1 1 A 42 42 ILE CA C 42 63.200 63.411 -0.211 1
1 402 . 6 1 1 A 42 42 ILE CB C 42 37.600 37.618 -0.018 1
1 406 . 6 1 1 A 43 43 LEU H H 43 7.700 8.045 -0.345 1
1 407 . 6 1 1 A 43 43 LEU HA H 43 4.560 4.164 0.396 1
1 417 . 6 1 1 A 43 43 LEU C C 43 178.000 179.490 -1.490 1
1 418 . 6 1 1 A 43 43 LEU CA C 43 54.700 57.494 -2.794 1
1 419 . 6 1 1 A 43 43 LEU CB C 43 40.800 40.794 0.006 1
1 423 . 6 1 1 A 43 43 LEU N N 43 117.500 120.937 -3.437 1
1 424 . 6 1 1 A 44 44 ASN H H 44 7.870 8.563 -0.693 1
1 425 . 6 1 1 A 44 44 ASN HA H 44 4.480 4.870 -0.390 1
1 428 . 6 1 1 A 44 44 ASN CA C 44 55.300 56.370 -1.070 1
1 429 . 6 1 1 A 44 44 ASN CB C 44 38.200 39.437 -1.237 1
1 430 . 6 1 1 A 44 44 ASN N N 44 118.400 118.358 0.042 1
1 431 . 6 1 1 A 45 45 LYS HA H 45 4.200 4.155 0.045 1
1 440 . 6 1 1 A 45 45 LYS C C 45 176.200 178.908 -2.708 1
1 441 . 6 1 1 A 45 45 LYS CA C 45 56.500 58.975 -2.475 1
1 442 . 6 1 1 A 45 45 LYS CB C 45 32.000 32.031 -0.031 1
1 446 . 6 1 1 A 46 46 TYR H H 46 6.770 7.846 -1.076 1
1 447 . 6 1 1 A 46 46 TYR HA H 46 3.900 4.390 -0.490 1
1 454 . 6 1 1 A 46 46 TYR C C 46 175.500 175.343 0.157 1
1 455 . 6 1 1 A 46 46 TYR CA C 46 59.200 59.727 -0.527 1
1 456 . 6 1 1 A 46 46 TYR CB C 46 38.700 38.377 0.323 1
1 459 . 6 1 1 A 46 46 TYR N N 46 117.400 118.311 -0.911 1
1 460 . 6 1 1 A 47 47 ASP H H 47 7.540 8.204 -0.664 1
1 461 . 6 1 1 A 47 47 ASP HA H 47 4.880 4.280 0.600 1
1 464 . 6 1 1 A 47 47 ASP C C 47 175.100 174.021 1.079 1
1 465 . 6 1 1 A 47 47 ASP CA C 47 56.100 55.539 0.561 1
1 466 . 6 1 1 A 47 47 ASP CB C 47 43.100 40.441 2.659 1
1 467 . 6 1 1 A 47 47 ASP N N 47 118.300 119.561 -1.261 1
1 468 . 6 1 1 A 48 48 TYR H H 48 8.640 8.137 0.503 1
1 469 . 6 1 1 A 48 48 TYR HA H 48 5.670 5.413 0.257 1
1 476 . 6 1 1 A 48 48 TYR C C 48 174.700 174.816 -0.116 1
1 477 . 6 1 1 A 48 48 TYR CA C 48 55.900 56.807 -0.907 1
1 478 . 6 1 1 A 48 48 TYR CB C 48 43.500 42.068 1.432 1
1 481 . 6 1 1 A 48 48 TYR N N 48 116.700 119.058 -2.358 1
1 482 . 6 1 1 A 49 49 ILE H H 49 9.130 9.341 -0.211 1
1 483 . 6 1 1 A 49 49 ILE HA H 49 4.660 4.881 -0.221 1
1 493 . 6 1 1 A 49 49 ILE C C 49 173.900 174.849 -0.949 1
1 494 . 6 1 1 A 49 49 ILE CA C 49 59.400 59.972 -0.572 1
1 495 . 6 1 1 A 49 49 ILE CB C 49 40.700 40.056 0.644 1
1 499 . 6 1 1 A 49 49 ILE N N 49 119.500 124.043 -4.543 1
1 500 . 6 1 1 A 50 50 VAL H H 50 9.220 9.063 0.157 1
1 501 . 6 1 1 A 50 50 VAL HA H 50 4.860 5.027 -0.167 1
1 509 . 6 1 1 A 50 50 VAL C C 50 175.200 174.926 0.274 1
1 510 . 6 1 1 A 50 50 VAL CA C 50 60.100 60.743 -0.643 1
1 511 . 6 1 1 A 50 50 VAL CB C 50 33.400 34.443 -1.043 1
1 514 . 6 1 1 A 50 50 VAL N N 50 128.600 129.039 -0.439 1
1 515 . 6 1 1 A 51 51 GLY H H 51 7.860 8.550 -0.690 1
1 516 . 6 1 1 A 51 51 GLY HA2 H 51 5.420 3.274 2.146 1
1 517 . 6 1 1 A 51 51 GLY HA3 H 51 2.080 3.926 -1.846 1
1 518 . 6 1 1 A 51 51 GLY C C 51 170.700 172.002 -1.302 1
1 519 . 6 1 1 A 51 51 GLY CA C 51 43.600 44.119 -0.519 1
1 520 . 6 1 1 A 51 51 GLY N N 51 116.100 115.292 0.808 1
1 521 . 6 1 1 A 52 52 ASP H H 52 8.940 8.843 0.097 1
1 522 . 6 1 1 A 52 52 ASP HA H 52 5.540 5.529 0.011 1
1 525 . 6 1 1 A 52 52 ASP C C 52 174.200 176.018 -1.818 1
1 526 . 6 1 1 A 52 52 ASP CA C 52 53.000 52.023 0.977 1
1 527 . 6 1 1 A 52 52 ASP CB C 52 47.100 43.098 4.002 1
1 528 . 6 1 1 A 52 52 ASP N N 52 121.200 121.099 0.101 1
1 529 . 6 1 1 A 53 53 TRP H H 53 7.980 8.507 -0.527 1
1 530 . 6 1 1 A 53 53 TRP HA H 53 4.950 4.932 0.018 1
1 539 . 6 1 1 A 53 53 TRP C C 53 178.500 177.372 1.128 1
1 540 . 6 1 1 A 53 53 TRP CA C 53 56.200 56.749 -0.549 1
1 541 . 6 1 1 A 53 53 TRP CB C 53 28.500 29.235 -0.735 1
1 547 . 6 1 1 A 53 53 TRP N N 53 119.900 120.340 -0.440 1
1 549 . 6 1 1 A 54 54 GLY H H 54 10.320 8.248 2.072 1
1 550 . 6 1 1 A 54 54 GLY HA2 H 54 4.020 3.051 0.969 1
1 551 . 6 1 1 A 54 54 GLY HA3 H 54 4.020 3.581 0.439 1
1 552 . 6 1 1 A 54 54 GLY CA C 54 48.600 47.177 1.423 1
1 553 . 6 1 1 A 54 54 GLY N N 54 115.400 109.287 6.113 1
1 554 . 6 1 1 A 55 55 TYR HA H 55 4.890 4.658 0.232 1
1 561 . 6 1 1 A 55 55 TYR CA C 55 56.800 58.102 -1.302 1
1 562 . 6 1 1 A 55 55 TYR CB C 55 38.100 38.677 -0.577 1
1 565 . 6 1 1 A 56 56 GLY HA2 H 56 3.850 4.114 -0.264 1
1 566 . 6 1 1 A 56 56 GLY HA3 H 56 4.360 4.211 0.149 1
1 567 . 6 1 1 A 56 56 GLY C C 56 173.100 174.682 -1.582 1
1 568 . 6 1 1 A 56 56 GLY CA C 56 45.600 45.219 0.381 1
1 569 . 6 1 1 A 57 57 GLN H H 57 7.380 8.063 -0.683 1
1 570 . 6 1 1 A 57 57 GLN HA H 57 4.660 4.410 0.250 1
1 576 . 6 1 1 A 57 57 GLN C C 57 173.800 175.456 -1.656 1
1 577 . 6 1 1 A 57 57 GLN CA C 57 53.400 56.515 -3.115 1
1 578 . 6 1 1 A 57 57 GLN CB C 57 31.600 29.418 2.182 1
1 580 . 6 1 1 A 57 57 GLN N N 57 116.300 121.044 -4.744 1
1 582 . 6 1 1 A 58 58 LEU H H 58 8.100 8.323 -0.223 1
1 583 . 6 1 1 A 58 58 LEU HA H 58 3.250 3.988 -0.738 1
1 593 . 6 1 1 A 58 58 LEU C C 58 174.200 174.447 -0.247 1
1 594 . 6 1 1 A 58 58 LEU CA C 58 55.500 54.644 0.856 1
1 595 . 6 1 1 A 58 58 LEU CB C 58 39.900 41.887 -1.987 1
1 599 . 6 1 1 A 58 58 LEU N N 58 124.400 128.263 -3.863 1
1 600 . 6 1 1 A 59 59 ARG H H 59 8.360 8.587 -0.227 1
1 601 . 6 1 1 A 59 59 ARG HA H 59 4.470 4.750 -0.280 1
1 608 . 6 1 1 A 59 59 ARG C C 59 174.000 174.778 -0.778 1
1 609 . 6 1 1 A 59 59 ARG CA C 59 54.200 54.550 -0.350 1
1 610 . 6 1 1 A 59 59 ARG CB C 59 33.000 33.224 -0.224 1
1 613 . 6 1 1 A 59 59 ARG N N 59 130.500 126.141 4.359 1
1 614 . 6 1 1 A 60 60 LEU H H 60 8.480 8.919 -0.439 1
1 615 . 6 1 1 A 60 60 LEU HA H 60 5.260 4.844 0.416 1
1 625 . 6 1 1 A 60 60 LEU C C 60 176.000 175.203 0.797 1
1 626 . 6 1 1 A 60 60 LEU CA C 60 52.500 53.961 -1.461 1
1 627 . 6 1 1 A 60 60 LEU CB C 60 44.200 41.927 2.273 1
1 631 . 6 1 1 A 60 60 LEU N N 60 122.400 125.215 -2.815 1
1 632 . 6 1 1 A 61 61 LYS H H 61 8.900 9.328 -0.428 1
1 633 . 6 1 1 A 61 61 LYS HA H 61 4.160 4.728 -0.568 1
1 642 . 6 1 1 A 61 61 LYS C C 61 174.200 175.337 -1.137 1
1 643 . 6 1 1 A 61 61 LYS CA C 61 54.800 54.184 0.616 1
1 644 . 6 1 1 A 61 61 LYS CB C 61 36.600 34.438 2.162 1
1 648 . 6 1 1 A 61 61 LYS N N 61 123.800 125.770 -1.970 1
1 649 . 6 1 1 A 62 62 GLY H H 62 8.140 8.675 -0.535 1
1 650 . 6 1 1 A 62 62 GLY HA2 H 62 4.160 3.204 0.956 1
1 651 . 6 1 1 A 62 62 GLY HA3 H 62 4.160 3.833 0.327 1
1 652 . 6 1 1 A 62 62 GLY C C 62 172.000 172.417 -0.417 1
1 653 . 6 1 1 A 62 62 GLY CA C 62 43.000 44.463 -1.463 1
1 654 . 6 1 1 A 62 62 GLY N N 62 114.000 113.200 0.800 1
1 655 . 6 1 1 A 63 63 PHE H H 63 8.500 8.666 -0.166 1
1 656 . 6 1 1 A 63 63 PHE HA H 63 4.800 5.049 -0.249 1
1 664 . 6 1 1 A 63 63 PHE C C 63 175.400 174.898 0.502 1
1 665 . 6 1 1 A 63 63 PHE CA C 63 55.800 56.453 -0.653 1
1 666 . 6 1 1 A 63 63 PHE CB C 63 46.200 43.475 2.725 1
1 670 . 6 1 1 A 63 63 PHE N N 63 118.600 122.496 -3.896 1
1 671 . 6 1 1 A 64 64 PHE H H 64 9.930 8.968 0.962 1
1 672 . 6 1 1 A 64 64 PHE HA H 64 5.460 5.159 0.301 1
1 679 . 6 1 1 A 64 64 PHE C C 64 175.600 175.095 0.505 1
1 680 . 6 1 1 A 64 64 PHE CA C 64 57.500 57.596 -0.096 1
1 681 . 6 1 1 A 64 64 PHE CB C 64 43.100 42.136 0.964 1
1 684 . 6 1 1 A 64 64 PHE N N 64 120.100 119.485 0.615 1
1 685 . 6 1 1 A 65 65 ASP H H 65 10.950 8.847 2.103 1
1 686 . 6 1 1 A 65 65 ASP HA H 65 4.860 4.702 0.158 1
1 689 . 6 1 1 A 65 65 ASP C C 65 177.400 175.317 2.083 1
1 690 . 6 1 1 A 65 65 ASP CA C 65 56.400 54.988 1.412 1
1 691 . 6 1 1 A 65 65 ASP CB C 65 42.800 41.142 1.658 1
1 692 . 6 1 1 A 65 65 ASP N N 65 123.200 120.825 2.375 1
1 693 . 6 1 1 A 66 66 ASP H H 66 8.470 8.816 -0.346 1
1 694 . 6 1 1 A 66 66 ASP HA H 66 4.110 4.789 -0.679 1
1 697 . 6 1 1 A 66 66 ASP C C 66 175.300 175.216 0.084 1
1 698 . 6 1 1 A 66 66 ASP CA C 66 57.800 55.315 2.485 1
1 699 . 6 1 1 A 66 66 ASP CB C 66 42.000 42.129 -0.129 1
1 700 . 6 1 1 A 66 66 ASP N N 66 122.800 122.736 0.064 1
1 701 . 6 1 1 A 67 67 GLN H H 67 8.500 7.979 0.521 1
1 702 . 6 1 1 A 67 67 GLN HA H 67 4.250 4.422 -0.172 1
1 707 . 6 1 1 A 67 67 GLN C C 67 175.900 174.775 1.125 1
1 708 . 6 1 1 A 67 67 GLN CA C 67 55.400 54.967 0.433 1
1 709 . 6 1 1 A 67 67 GLN CB C 67 28.300 27.716 0.584 1
1 711 . 6 1 1 A 68 68 ASN H H 68 7.880 8.072 -0.192 1
1 712 . 6 1 1 A 68 68 ASN HA H 68 4.430 4.789 -0.359 1
1 714 . 6 1 1 A 68 68 ASN CA C 68 53.300 53.213 0.087 1
1 715 . 6 1 1 A 68 68 ASN CB C 68 39.300 39.621 -0.321 1
1 716 . 6 1 1 A 68 68 ASN N N 68 121.500 122.257 -0.757 1
1 722 . 6 1 1 A 73 73 PHE HA H 73 4.190 4.070 0.120 1
1 730 . 6 1 1 A 73 73 PHE CA C 73 61.300 62.276 -0.976 1
1 731 . 6 1 1 A 73 73 PHE CB C 73 38.600 39.730 -1.130 1
1 735 . 6 1 1 A 74 74 GLU HA H 74 4.290 4.429 -0.139 1
1 738 . 6 1 1 A 74 74 GLU CA C 74 56.800 57.088 -0.288 1
1 739 . 6 1 1 A 74 74 GLU CB C 74 29.900 29.429 0.471 1
1 741 . 6 1 1 A 75 75 THR HA H 75 4.180 4.166 0.014 1
1 746 . 6 1 1 A 75 75 THR C C 75 174.100 173.850 0.250 1
1 747 . 6 1 1 A 75 75 THR CA C 75 60.700 63.484 -2.784 1
1 748 . 6 1 1 A 75 75 THR CB C 75 69.800 66.941 2.859 1
1 750 . 6 1 1 A 76 76 LYS HA H 76 3.880 4.367 -0.487 1
1 759 . 6 1 1 A 76 76 LYS CA C 76 55.900 55.248 0.652 1
1 760 . 6 1 1 A 76 76 LYS CB C 76 32.100 31.772 0.328 1
1 764 . 6 1 1 A 77 77 ILE H H 77 9.060 7.755 1.305 1
1 765 . 6 1 1 A 77 77 ILE HA H 77 3.850 3.922 -0.072 1
1 775 . 6 1 1 A 77 77 ILE C C 77 175.900 176.566 -0.666 1
1 776 . 6 1 1 A 77 77 ILE CA C 77 59.600 62.121 -2.521 1
1 777 . 6 1 1 A 77 77 ILE CB C 77 38.400 36.736 1.664 1
1 781 . 6 1 1 A 77 77 ILE N N 77 126.900 127.169 -0.269 1
1 782 . 6 1 1 A 78 78 SER H H 78 8.730 8.881 -0.151 1
1 783 . 6 1 1 A 78 78 SER HA H 78 4.140 3.987 0.153 1
1 786 . 6 1 1 A 78 78 SER C C 78 176.200 176.699 -0.499 1
1 787 . 6 1 1 A 78 78 SER CA C 78 60.800 61.617 -0.817 1
1 788 . 6 1 1 A 78 78 SER CB C 78 61.200 62.981 -1.781 1
1 789 . 6 1 1 A 78 78 SER N N 78 119.000 124.235 -5.235 1
1 790 . 6 1 1 A 79 79 THR H H 79 8.050 7.579 0.471 1
1 791 . 6 1 1 A 79 79 THR HA H 79 4.580 4.141 0.439 1
1 796 . 6 1 1 A 79 79 THR C C 79 174.400 176.461 -2.061 1
1 797 . 6 1 1 A 79 79 THR CA C 79 62.200 65.516 -3.316 1
1 798 . 6 1 1 A 79 79 THR CB C 79 69.300 68.675 0.625 1
1 800 . 6 1 1 A 79 79 THR N N 79 114.300 115.049 -0.749 1
1 801 . 6 1 1 A 80 80 LEU H H 80 7.470 7.819 -0.349 1
1 802 . 6 1 1 A 80 80 LEU HA H 80 3.580 3.603 -0.023 1
1 812 . 6 1 1 A 80 80 LEU C C 80 176.500 178.061 -1.561 1
1 813 . 6 1 1 A 80 80 LEU CA C 80 58.400 57.711 0.689 1
1 814 . 6 1 1 A 80 80 LEU CB C 80 41.800 41.228 0.572 1
1 818 . 6 1 1 A 80 80 LEU N N 80 123.200 121.994 1.206 1
1 819 . 6 1 1 A 81 81 ASP H H 81 8.450 8.051 0.399 1
1 820 . 6 1 1 A 81 81 ASP HA H 81 4.060 4.241 -0.181 1
1 823 . 6 1 1 A 81 81 ASP C C 81 178.700 178.505 0.195 1
1 824 . 6 1 1 A 81 81 ASP CA C 81 57.600 57.947 -0.347 1
1 825 . 6 1 1 A 81 81 ASP CB C 81 39.500 41.865 -2.365 1
1 826 . 6 1 1 A 81 81 ASP N N 81 116.000 119.263 -3.263 1
1 827 . 6 1 1 A 82 82 GLU H H 82 7.800 7.990 -0.190 1
1 828 . 6 1 1 A 82 82 GLU HA H 82 4.030 4.091 -0.061 1
1 833 . 6 1 1 A 82 82 GLU C C 82 178.500 178.756 -0.256 1
1 834 . 6 1 1 A 82 82 GLU CA C 82 59.100 58.654 0.446 1
1 835 . 6 1 1 A 82 82 GLU CB C 82 29.300 29.577 -0.277 1
1 837 . 6 1 1 A 82 82 GLU N N 82 120.400 118.815 1.585 1
1 838 . 6 1 1 A 83 83 TYR H H 83 8.190 7.989 0.201 1
1 839 . 6 1 1 A 83 83 TYR HA H 83 4.410 4.166 0.244 1
1 846 . 6 1 1 A 83 83 TYR C C 83 176.700 177.075 -0.375 1
1 847 . 6 1 1 A 83 83 TYR CA C 83 60.900 61.329 -0.429 1
1 848 . 6 1 1 A 83 83 TYR CB C 83 37.600 38.766 -1.166 1
1 851 . 6 1 1 A 83 83 TYR N N 83 122.900 122.784 0.116 1
1 852 . 6 1 1 A 84 84 ILE H H 84 8.400 8.509 -0.109 1
1 853 . 6 1 1 A 84 84 ILE HA H 84 3.240 3.516 -0.276 1
1 863 . 6 1 1 A 84 84 ILE C C 84 178.000 177.922 0.078 1
1 864 . 6 1 1 A 84 84 ILE CA C 84 60.800 64.820 -4.020 1
1 865 . 6 1 1 A 84 84 ILE CB C 84 35.500 37.298 -1.798 1
1 869 . 6 1 1 A 84 84 ILE N N 84 119.100 120.117 -1.017 1
1 870 . 6 1 1 A 85 85 TYR H H 85 7.820 8.092 -0.272 1
1 871 . 6 1 1 A 85 85 TYR HA H 85 3.910 3.988 -0.078 1
1 878 . 6 1 1 A 85 85 TYR C C 85 176.800 177.526 -0.726 1
1 879 . 6 1 1 A 85 85 TYR CA C 85 60.700 60.791 -0.091 1
1 880 . 6 1 1 A 85 85 TYR CB C 85 37.900 38.836 -0.936 1
1 883 . 6 1 1 A 85 85 TYR N N 85 119.100 121.638 -2.538 1
1 884 . 6 1 1 A 86 86 GLU H H 86 7.660 8.096 -0.436 1
1 885 . 6 1 1 A 86 86 GLU HA H 86 3.690 3.898 -0.208 1
1 890 . 6 1 1 A 86 86 GLU C C 86 177.900 177.009 0.891 1
1 891 . 6 1 1 A 86 86 GLU CA C 86 58.200 58.511 -0.311 1
1 892 . 6 1 1 A 86 86 GLU CB C 86 29.500 29.389 0.111 1
1 894 . 6 1 1 A 86 86 GLU N N 86 116.700 118.077 -1.377 1
1 895 . 6 1 1 A 87 87 TYR H H 87 8.010 7.630 0.380 1
1 896 . 6 1 1 A 87 87 TYR HA H 87 4.090 4.291 -0.201 1
1 903 . 6 1 1 A 87 87 TYR C C 87 176.000 175.480 0.520 1
1 904 . 6 1 1 A 87 87 TYR CA C 87 60.100 59.005 1.095 1
1 905 . 6 1 1 A 87 87 TYR CB C 87 37.300 39.628 -2.328 1
1 908 . 6 1 1 A 87 87 TYR N N 87 114.900 113.779 1.121 1
1 909 . 6 1 1 A 88 88 CYS H H 88 8.300 7.987 0.313 1
1 910 . 6 1 1 A 88 88 CYS HA H 88 4.760 4.841 -0.081 1
1 913 . 6 1 1 A 88 88 CYS CA C 88 53.500 55.007 -1.507 1
1 914 . 6 1 1 A 88 88 CYS CB C 88 42.000 42.932 -0.932 1
1 915 . 6 1 1 A 88 88 CYS N N 88 119.700 117.444 2.256 1
1 916 . 6 1 1 A 89 89 ASN C C 89 176.500 176.732 -0.232 1
1 917 . 6 1 1 A 90 90 PHE HA H 90 4.590 4.878 -0.288 1
1 925 . 6 1 1 A 90 90 PHE CA C 90 57.400 59.285 -1.885 1
1 926 . 6 1 1 A 90 90 PHE CB C 90 38.200 40.645 -2.445 1
1 930 . 6 1 1 A 92 92 CYS HA H 92 4.660 5.372 -0.712 1
1 933 . 6 1 1 A 92 92 CYS C C 92 172.000 172.128 -0.128 1
1 934 . 6 1 1 A 92 92 CYS CA C 92 55.000 55.691 -0.691 1
1 935 . 6 1 1 A 92 92 CYS CB C 92 47.400 47.068 0.332 1
1 936 . 6 1 1 A 93 93 ALA H H 93 8.670 8.642 0.028 1
1 937 . 6 1 1 A 93 93 ALA HA H 93 4.520 5.438 -0.918 1
1 941 . 6 1 1 A 93 93 ALA C C 93 177.400 175.574 1.826 1
1 942 . 6 1 1 A 93 93 ALA CA C 93 52.400 52.162 0.238 1
1 943 . 6 1 1 A 93 93 ALA CB C 93 19.800 20.964 -1.164 1
1 944 . 6 1 1 A 93 93 ALA N N 93 126.000 124.669 1.331 1
1 945 . 6 1 1 A 94 94 TYR H H 94 8.460 8.900 -0.440 1
1 946 . 6 1 1 A 94 94 TYR HA H 94 5.570 5.610 -0.040 1
1 953 . 6 1 1 A 94 94 TYR C C 94 171.500 173.354 -1.854 1
1 954 . 6 1 1 A 94 94 TYR CA C 94 57.200 56.172 1.028 1
1 955 . 6 1 1 A 94 94 TYR CB C 94 39.800 40.815 -1.015 1
1 958 . 6 1 1 A 94 94 TYR N N 94 116.200 118.652 -2.452 1
1 959 . 6 1 1 A 95 95 PHE H H 95 9.220 8.687 0.533 1
1 960 . 6 1 1 A 95 95 PHE HA H 95 5.280 5.635 -0.355 1
1 967 . 6 1 1 A 95 95 PHE C C 95 172.900 173.168 -0.268 1
1 968 . 6 1 1 A 95 95 PHE CA C 95 55.200 55.575 -0.375 1
1 969 . 6 1 1 A 95 95 PHE CB C 95 42.400 42.871 -0.471 1
1 972 . 6 1 1 A 95 95 PHE N N 95 114.100 117.271 -3.171 1
1 973 . 6 1 1 A 96 96 VAL H H 96 9.130 9.400 -0.270 1
1 974 . 6 1 1 A 96 96 VAL HA H 96 4.860 4.816 0.044 1
1 982 . 6 1 1 A 96 96 VAL C C 96 174.800 174.446 0.354 1
1 983 . 6 1 1 A 96 96 VAL CA C 96 61.400 61.668 -0.268 1
1 984 . 6 1 1 A 96 96 VAL CB C 96 35.100 33.687 1.413 1
1 987 . 6 1 1 A 96 96 VAL N N 96 118.400 121.969 -3.569 1
1 988 . 6 1 1 A 97 97 LEU H H 97 9.610 9.495 0.115 1
1 989 . 6 1 1 A 97 97 LEU HA H 97 5.380 5.377 0.003 1
1 999 . 6 1 1 A 97 97 LEU C C 97 175.700 175.210 0.490 1
1 1000 . 6 1 1 A 97 97 LEU CA C 97 52.100 52.986 -0.886 1
1 1001 . 6 1 1 A 97 97 LEU CB C 97 44.500 44.292 0.208 1
1 1005 . 6 1 1 A 97 97 LEU N N 97 126.100 127.549 -1.449 1
1 1006 . 6 1 1 A 98 98 LYS H H 98 9.660 8.793 0.867 1
1 1007 . 6 1 1 A 98 98 LYS HA H 98 4.740 5.143 -0.403 1
1 1016 . 6 1 1 A 98 98 LYS C C 98 175.500 175.969 -0.469 1
1 1017 . 6 1 1 A 98 98 LYS CA C 98 54.400 54.499 -0.099 1
1 1018 . 6 1 1 A 98 98 LYS CB C 98 37.500 35.150 2.350 1
1 1022 . 6 1 1 A 98 98 LYS N N 98 123.900 124.686 -0.786 1
1 1023 . 6 1 1 A 99 99 ARG H H 99 8.400 8.760 -0.360 1
1 1024 . 6 1 1 A 99 99 ARG HA H 99 4.040 4.660 -0.620 1
1 1031 . 6 1 1 A 99 99 ARG C C 99 174.800 175.635 -0.835 1
1 1032 . 6 1 1 A 99 99 ARG CA C 99 55.500 56.846 -1.346 1
1 1033 . 6 1 1 A 99 99 ARG CB C 99 30.000 30.621 -0.621 1
1 1036 . 6 1 1 A 99 99 ARG N N 99 128.700 127.633 1.067 1
1 1037 . 6 1 1 A 100 100 ILE H H 100 8.660 8.743 -0.083 1
1 1038 . 6 1 1 A 100 100 ILE HA H 100 4.150 4.231 -0.081 1
1 1048 . 6 1 1 A 100 100 ILE CA C 100 59.100 60.859 -1.759 1
1 1049 . 6 1 1 A 100 100 ILE CB C 100 36.300 37.349 -1.049 1
1 1053 . 6 1 1 A 100 100 ILE N N 100 130.500 127.779 2.721 1
1 1054 . 6 1 1 A 101 101 ARG C C 101 177.000 175.569 1.431 1
1 1055 . 6 1 1 A 102 102 LYS C C 102 178.900 174.284 4.616 1
1 1056 . 6 1 1 A 103 103 LEU HA H 103 4.230 4.612 -0.382 1
1 1066 . 6 1 1 A 103 103 LEU CA C 103 54.900 54.622 0.278 1
1 1067 . 6 1 1 A 103 103 LEU CB C 103 42.100 44.787 -2.687 1
1 1071 . 6 1 1 A 104 104 GLU HA H 104 4.010 4.672 -0.662 1
1 1075 . 6 1 1 A 104 104 GLU CA C 104 58.300 56.419 1.881 1
1 1076 . 6 1 1 A 104 104 GLU CB C 104 28.300 30.326 -2.026 1
1 1 . 7 1 1 A 10 10 GLU HA H 10 4.230 4.114 0.116 1
1 6 . 7 1 1 A 10 10 GLU C C 10 176.100 176.581 -0.481 1
1 7 . 7 1 1 A 10 10 GLU CA C 10 56.800 59.143 -2.343 1
1 8 . 7 1 1 A 10 10 GLU CB C 10 30.400 29.827 0.573 1
1 10 . 7 1 1 A 11 11 ILE H H 11 8.270 8.278 -0.008 1
1 11 . 7 1 1 A 11 11 ILE HA H 11 4.100 4.290 -0.190 1
1 21 . 7 1 1 A 11 11 ILE C C 11 173.900 174.684 -0.784 1
1 22 . 7 1 1 A 11 11 ILE CA C 11 60.900 60.832 0.068 1
1 23 . 7 1 1 A 11 11 ILE CB C 11 38.300 38.670 -0.370 1
1 27 . 7 1 1 A 11 11 ILE N N 11 121.800 118.595 3.205 1
1 28 . 7 1 1 A 12 12 MET H H 12 8.150 8.705 -0.555 1
1 29 . 7 1 1 A 12 12 MET HA H 12 5.250 4.889 0.361 1
1 37 . 7 1 1 A 12 12 MET C C 12 175.500 175.656 -0.156 1
1 38 . 7 1 1 A 12 12 MET CA C 12 53.100 54.801 -1.701 1
1 39 . 7 1 1 A 12 12 MET CB C 12 33.600 33.779 -0.179 1
1 42 . 7 1 1 A 12 12 MET N N 12 125.200 125.999 -0.799 1
1 43 . 7 1 1 A 13 13 ILE H H 13 9.200 9.176 0.024 1
1 44 . 7 1 1 A 13 13 ILE HA H 13 4.400 4.691 -0.291 1
1 54 . 7 1 1 A 13 13 ILE C C 13 173.500 174.700 -1.200 1
1 55 . 7 1 1 A 13 13 ILE CA C 13 59.600 60.685 -1.085 1
1 56 . 7 1 1 A 13 13 ILE CB C 13 40.500 39.441 1.059 1
1 60 . 7 1 1 A 13 13 ILE N N 13 123.700 124.246 -0.546 1
1 61 . 7 1 1 A 14 14 LEU H H 14 8.550 9.121 -0.571 1
1 62 . 7 1 1 A 14 14 LEU HA H 14 5.200 5.537 -0.337 1
1 72 . 7 1 1 A 14 14 LEU C C 14 176.100 175.982 0.118 1
1 73 . 7 1 1 A 14 14 LEU CA C 14 53.700 53.421 0.279 1
1 74 . 7 1 1 A 14 14 LEU CB C 14 43.700 43.100 0.600 1
1 78 . 7 1 1 A 14 14 LEU N N 14 128.800 128.451 0.349 1
1 79 . 7 1 1 A 15 15 ILE H H 15 8.780 8.984 -0.204 1
1 80 . 7 1 1 A 15 15 ILE HA H 15 4.350 4.491 -0.141 1
1 90 . 7 1 1 A 15 15 ILE CA C 15 58.700 60.231 -1.531 1
1 91 . 7 1 1 A 15 15 ILE CB C 15 39.800 40.995 -1.195 1
1 95 . 7 1 1 A 15 15 ILE N N 15 123.000 123.853 -0.853 1
1 96 . 7 1 1 A 16 16 GLN HA H 16 3.710 4.105 -0.395 1
1 100 . 7 1 1 A 16 16 GLN CA C 16 57.700 57.425 0.275 1
1 101 . 7 1 1 A 16 16 GLN CB C 16 26.500 27.080 -0.580 1
1 103 . 7 1 1 A 17 17 ASN HA H 17 4.460 4.293 0.167 1
1 108 . 7 1 1 A 17 17 ASN C C 17 173.300 173.736 -0.436 1
1 109 . 7 1 1 A 17 17 ASN CA C 17 53.900 54.861 -0.961 1
1 110 . 7 1 1 A 17 17 ASN CB C 17 38.100 37.220 0.880 1
1 112 . 7 1 1 A 18 18 ALA H H 18 8.450 7.341 1.109 1
1 113 . 7 1 1 A 18 18 ALA HA H 18 4.250 4.853 -0.603 1
1 117 . 7 1 1 A 18 18 ALA C C 18 174.000 174.702 -0.702 1
1 118 . 7 1 1 A 18 18 ALA CA C 18 51.600 50.534 1.066 1
1 119 . 7 1 1 A 18 18 ALA CB C 18 20.500 22.755 -2.255 1
1 120 . 7 1 1 A 18 18 ALA N N 18 125.200 118.750 6.450 1
1 121 . 7 1 1 A 19 19 GLU H H 19 7.930 8.515 -0.585 1
1 122 . 7 1 1 A 19 19 GLU HA H 19 5.000 4.755 0.245 1
1 127 . 7 1 1 A 19 19 GLU C C 19 174.500 175.217 -0.717 1
1 128 . 7 1 1 A 19 19 GLU CA C 19 54.400 54.616 -0.216 1
1 129 . 7 1 1 A 19 19 GLU CB C 19 32.500 30.958 1.542 1
1 131 . 7 1 1 A 19 19 GLU N N 19 121.700 122.133 -0.433 1
1 132 . 7 1 1 A 20 20 PHE H H 20 9.110 9.139 -0.029 1
1 133 . 7 1 1 A 20 20 PHE HA H 20 5.340 5.590 -0.250 1
1 141 . 7 1 1 A 20 20 PHE C C 20 173.900 174.470 -0.570 1
1 142 . 7 1 1 A 20 20 PHE CA C 20 55.800 56.862 -1.062 1
1 143 . 7 1 1 A 20 20 PHE CB C 20 44.800 43.613 1.187 1
1 147 . 7 1 1 A 20 20 PHE N N 20 120.100 125.730 -5.630 1
1 148 . 7 1 1 A 21 21 GLU H H 21 9.200 8.662 0.538 1
1 149 . 7 1 1 A 21 21 GLU HA H 21 5.040 5.041 -0.001 1
1 154 . 7 1 1 A 21 21 GLU C C 21 176.200 174.524 1.676 1
1 155 . 7 1 1 A 21 21 GLU CA C 21 53.700 54.688 -0.988 1
1 156 . 7 1 1 A 21 21 GLU CB C 21 33.600 33.665 -0.065 1
1 158 . 7 1 1 A 21 21 GLU N N 21 120.800 119.016 1.784 1
1 159 . 7 1 1 A 22 22 LEU H H 22 8.590 8.542 0.048 1
1 160 . 7 1 1 A 22 22 LEU HA H 22 4.420 4.227 0.193 1
1 170 . 7 1 1 A 22 22 LEU C C 22 175.200 176.882 -1.682 1
1 171 . 7 1 1 A 22 22 LEU CA C 22 54.900 54.782 0.118 1
1 172 . 7 1 1 A 22 22 LEU CB C 22 41.000 41.432 -0.432 1
1 176 . 7 1 1 A 22 22 LEU N N 22 127.900 124.962 2.938 1
1 177 . 7 1 1 A 23 23 VAL H H 23 8.350 8.587 -0.237 1
1 178 . 7 1 1 A 23 23 VAL HA H 23 4.460 4.318 0.142 1
1 186 . 7 1 1 A 23 23 VAL C C 23 175.500 175.831 -0.331 1
1 187 . 7 1 1 A 23 23 VAL CA C 23 62.100 62.811 -0.711 1
1 188 . 7 1 1 A 23 23 VAL CB C 23 32.600 32.814 -0.214 1
1 191 . 7 1 1 A 23 23 VAL N N 23 122.700 121.839 0.861 1
1 192 . 7 1 1 A 24 24 HIS H H 24 7.590 7.364 0.226 1
1 193 . 7 1 1 A 24 24 HIS HA H 24 4.750 4.826 -0.076 1
1 197 . 7 1 1 A 24 24 HIS CA C 24 56.800 56.237 0.563 1
1 198 . 7 1 1 A 24 24 HIS CB C 24 34.800 33.090 1.710 1
1 200 . 7 1 1 A 24 24 HIS N N 24 118.300 120.761 -2.461 1
1 201 . 7 1 1 A 25 25 ASN HA H 25 5.070 5.364 -0.294 1
1 206 . 7 1 1 A 25 25 ASN C C 25 172.500 173.316 -0.816 1
1 207 . 7 1 1 A 25 25 ASN CA C 25 52.000 52.214 -0.214 1
1 208 . 7 1 1 A 25 25 ASN CB C 25 40.400 42.206 -1.806 1
1 210 . 7 1 1 A 26 26 PHE H H 26 9.000 8.938 0.062 1
1 211 . 7 1 1 A 26 26 PHE HA H 26 4.540 4.768 -0.228 1
1 219 . 7 1 1 A 26 26 PHE C C 26 174.500 175.107 -0.607 1
1 220 . 7 1 1 A 26 26 PHE CA C 26 57.100 57.216 -0.116 1
1 221 . 7 1 1 A 26 26 PHE CB C 26 40.900 42.084 -1.184 1
1 225 . 7 1 1 A 26 26 PHE N N 26 128.200 126.130 2.070 1
1 226 . 7 1 1 A 27 27 LYS H H 27 8.700 8.719 -0.019 1
1 227 . 7 1 1 A 27 27 LYS HA H 27 3.290 3.793 -0.503 1
1 236 . 7 1 1 A 27 27 LYS C C 27 174.500 175.178 -0.678 1
1 237 . 7 1 1 A 27 27 LYS CA C 27 56.800 57.345 -0.545 1
1 238 . 7 1 1 A 27 27 LYS CB C 27 29.500 31.517 -2.017 1
1 242 . 7 1 1 A 27 27 LYS N N 27 126.000 126.390 -0.390 1
1 243 . 7 1 1 A 28 28 ASP H H 28 8.560 8.434 0.126 1
1 244 . 7 1 1 A 28 28 ASP HA H 28 4.080 4.346 -0.266 1
1 247 . 7 1 1 A 28 28 ASP C C 28 174.700 176.949 -2.249 1
1 248 . 7 1 1 A 28 28 ASP CA C 28 54.800 55.578 -0.778 1
1 249 . 7 1 1 A 28 28 ASP CB C 28 39.100 38.929 0.171 1
1 250 . 7 1 1 A 28 28 ASP N N 28 112.300 112.842 -0.542 1
1 251 . 7 1 1 A 29 29 GLY H H 29 7.160 7.980 -0.820 1
1 252 . 7 1 1 A 29 29 GLY HA2 H 29 3.490 3.831 -0.341 1
1 253 . 7 1 1 A 29 29 GLY HA3 H 29 3.780 4.212 -0.432 1
1 254 . 7 1 1 A 29 29 GLY C C 29 174.800 174.685 0.115 1
1 255 . 7 1 1 A 29 29 GLY CA C 29 47.600 46.185 1.415 1
1 256 . 7 1 1 A 29 29 GLY N N 29 101.900 106.328 -4.428 1
1 257 . 7 1 1 A 30 30 PHE H H 30 9.400 7.654 1.746 1
1 258 . 7 1 1 A 30 30 PHE HA H 30 3.380 3.713 -0.333 1
1 266 . 7 1 1 A 30 30 PHE CA C 30 60.700 58.709 1.991 1
1 267 . 7 1 1 A 30 30 PHE CB C 30 37.700 39.672 -1.972 1
1 271 . 7 1 1 A 30 30 PHE N N 30 120.800 121.485 -0.685 1
1 272 . 7 1 1 A 31 31 ASN H H 31 5.090 7.897 -2.807 1
1 273 . 7 1 1 A 31 31 ASN HA H 31 4.220 4.511 -0.291 1
1 276 . 7 1 1 A 31 31 ASN CA C 31 52.400 52.548 -0.148 1
1 277 . 7 1 1 A 31 31 ASN CB C 31 41.100 40.377 0.723 1
1 278 . 7 1 1 A 31 31 ASN N N 31 125.400 124.227 1.173 1
1 279 . 7 1 1 A 32 32 GLU HA H 32 3.290 3.605 -0.315 1
1 284 . 7 1 1 A 32 32 GLU C C 32 176.900 177.896 -0.996 1
1 285 . 7 1 1 A 32 32 GLU CA C 32 60.600 59.966 0.634 1
1 286 . 7 1 1 A 32 32 GLU CB C 32 29.500 29.454 0.046 1
1 288 . 7 1 1 A 33 33 GLU H H 33 8.320 8.114 0.206 1
1 289 . 7 1 1 A 33 33 GLU HA H 33 3.880 4.040 -0.160 1
1 294 . 7 1 1 A 33 33 GLU C C 33 179.300 178.663 0.637 1
1 295 . 7 1 1 A 33 33 GLU CA C 33 59.600 59.327 0.273 1
1 296 . 7 1 1 A 33 33 GLU CB C 33 28.700 28.877 -0.177 1
1 298 . 7 1 1 A 33 33 GLU N N 33 119.000 117.577 1.423 1
1 299 . 7 1 1 A 34 34 ALA H H 34 8.330 7.983 0.347 1
1 300 . 7 1 1 A 34 34 ALA HA H 34 4.130 4.147 -0.017 1
1 304 . 7 1 1 A 34 34 ALA C C 34 179.600 179.687 -0.087 1
1 305 . 7 1 1 A 34 34 ALA CA C 34 54.400 55.036 -0.636 1
1 306 . 7 1 1 A 34 34 ALA CB C 34 18.400 18.540 -0.140 1
1 307 . 7 1 1 A 34 34 ALA N N 34 122.200 122.261 -0.061 1
1 308 . 7 1 1 A 35 35 PHE H H 35 8.040 8.335 -0.295 1
1 309 . 7 1 1 A 35 35 PHE HA H 35 4.020 4.201 -0.181 1
1 317 . 7 1 1 A 35 35 PHE C C 35 176.100 177.627 -1.527 1
1 318 . 7 1 1 A 35 35 PHE CA C 35 61.000 61.314 -0.314 1
1 319 . 7 1 1 A 35 35 PHE CB C 35 39.000 39.360 -0.360 1
1 323 . 7 1 1 A 35 35 PHE N N 35 117.100 120.096 -2.996 1
1 324 . 7 1 1 A 36 36 LYS H H 36 8.490 8.732 -0.242 1
1 325 . 7 1 1 A 36 36 LYS HA H 36 3.320 3.993 -0.673 1
1 334 . 7 1 1 A 36 36 LYS C C 36 178.000 178.724 -0.724 1
1 335 . 7 1 1 A 36 36 LYS CA C 36 59.800 58.563 1.237 1
1 336 . 7 1 1 A 36 36 LYS CB C 36 32.100 31.506 0.594 1
1 340 . 7 1 1 A 36 36 LYS N N 36 118.100 118.364 -0.264 1
1 341 . 7 1 1 A 37 37 ALA H H 37 7.450 7.872 -0.422 1
1 342 . 7 1 1 A 37 37 ALA HA H 37 4.130 4.212 -0.082 1
1 346 . 7 1 1 A 37 37 ALA C C 37 178.500 179.048 -0.548 1
1 347 . 7 1 1 A 37 37 ALA CA C 37 53.600 54.702 -1.102 1
1 348 . 7 1 1 A 37 37 ALA CB C 37 18.500 18.635 -0.135 1
1 349 . 7 1 1 A 37 37 ALA N N 37 117.700 121.824 -4.124 1
1 350 . 7 1 1 A 38 38 ARG H H 38 7.160 7.427 -0.267 1
1 351 . 7 1 1 A 38 38 ARG HA H 38 4.340 4.348 -0.008 1
1 358 . 7 1 1 A 38 38 ARG C C 38 175.400 175.671 -0.271 1
1 359 . 7 1 1 A 38 38 ARG CA C 38 54.200 55.538 -1.338 1
1 360 . 7 1 1 A 38 38 ARG CB C 38 31.400 30.792 0.608 1
1 363 . 7 1 1 A 38 38 ARG N N 38 114.800 115.189 -0.389 1
1 364 . 7 1 1 A 39 39 TYR H H 39 7.510 7.426 0.084 1
1 365 . 7 1 1 A 39 39 TYR HA H 39 3.350 4.198 -0.848 1
1 372 . 7 1 1 A 39 39 TYR C C 39 173.700 174.992 -1.292 1
1 373 . 7 1 1 A 39 39 TYR CA C 39 60.800 59.496 1.304 1
1 374 . 7 1 1 A 39 39 TYR CB C 39 38.000 38.918 -0.918 1
1 377 . 7 1 1 A 39 39 TYR N N 39 122.600 122.904 -0.304 1
1 378 . 7 1 1 A 40 40 SER H H 40 5.730 7.945 -2.215 1
1 379 . 7 1 1 A 40 40 SER HA H 40 4.470 4.801 -0.331 1
1 382 . 7 1 1 A 40 40 SER CA C 40 56.100 55.605 0.495 1
1 383 . 7 1 1 A 40 40 SER CB C 40 65.100 65.546 -0.446 1
1 384 . 7 1 1 A 40 40 SER N N 40 119.100 121.995 -2.895 1
1 385 . 7 1 1 A 41 41 ASP HA H 41 4.210 4.108 0.102 1
1 388 . 7 1 1 A 41 41 ASP CA C 41 56.700 57.684 -0.984 1
1 389 . 7 1 1 A 41 41 ASP CB C 41 40.500 40.822 -0.322 1
1 390 . 7 1 1 A 42 42 ILE HA H 42 4.030 3.759 0.271 1
1 400 . 7 1 1 A 42 42 ILE C C 42 176.600 177.860 -1.260 1
1 401 . 7 1 1 A 42 42 ILE CA C 42 63.200 63.388 -0.188 1
1 402 . 7 1 1 A 42 42 ILE CB C 42 37.600 37.613 -0.013 1
1 406 . 7 1 1 A 43 43 LEU H H 43 7.700 8.077 -0.377 1
1 407 . 7 1 1 A 43 43 LEU HA H 43 4.560 4.378 0.182 1
1 417 . 7 1 1 A 43 43 LEU C C 43 178.000 179.572 -1.572 1
1 418 . 7 1 1 A 43 43 LEU CA C 43 54.700 57.858 -3.158 1
1 419 . 7 1 1 A 43 43 LEU CB C 43 40.800 40.584 0.216 1
1 423 . 7 1 1 A 43 43 LEU N N 43 117.500 121.053 -3.553 1
1 424 . 7 1 1 A 44 44 ASN H H 44 7.870 8.272 -0.402 1
1 425 . 7 1 1 A 44 44 ASN HA H 44 4.480 4.647 -0.167 1
1 428 . 7 1 1 A 44 44 ASN CA C 44 55.300 57.075 -1.775 1
1 429 . 7 1 1 A 44 44 ASN CB C 44 38.200 39.979 -1.779 1
1 430 . 7 1 1 A 44 44 ASN N N 44 118.400 118.413 -0.013 1
1 431 . 7 1 1 A 45 45 LYS HA H 45 4.200 4.154 0.046 1
1 440 . 7 1 1 A 45 45 LYS C C 45 176.200 177.559 -1.359 1
1 441 . 7 1 1 A 45 45 LYS CA C 45 56.500 58.239 -1.739 1
1 442 . 7 1 1 A 45 45 LYS CB C 45 32.000 31.086 0.914 1
1 446 . 7 1 1 A 46 46 TYR H H 46 6.770 7.277 -0.507 1
1 447 . 7 1 1 A 46 46 TYR HA H 46 3.900 4.177 -0.277 1
1 454 . 7 1 1 A 46 46 TYR C C 46 175.500 175.357 0.143 1
1 455 . 7 1 1 A 46 46 TYR CA C 46 59.200 59.624 -0.424 1
1 456 . 7 1 1 A 46 46 TYR CB C 46 38.700 38.558 0.142 1
1 459 . 7 1 1 A 46 46 TYR N N 46 117.400 118.778 -1.378 1
1 460 . 7 1 1 A 47 47 ASP H H 47 7.540 8.272 -0.732 1
1 461 . 7 1 1 A 47 47 ASP HA H 47 4.880 4.243 0.637 1
1 464 . 7 1 1 A 47 47 ASP C C 47 175.100 174.049 1.051 1
1 465 . 7 1 1 A 47 47 ASP CA C 47 56.100 55.537 0.563 1
1 466 . 7 1 1 A 47 47 ASP CB C 47 43.100 40.485 2.615 1
1 467 . 7 1 1 A 47 47 ASP N N 47 118.300 119.576 -1.276 1
1 468 . 7 1 1 A 48 48 TYR H H 48 8.640 8.155 0.485 1
1 469 . 7 1 1 A 48 48 TYR HA H 48 5.670 5.465 0.205 1
1 476 . 7 1 1 A 48 48 TYR C C 48 174.700 174.990 -0.290 1
1 477 . 7 1 1 A 48 48 TYR CA C 48 55.900 56.592 -0.692 1
1 478 . 7 1 1 A 48 48 TYR CB C 48 43.500 43.030 0.470 1
1 481 . 7 1 1 A 48 48 TYR N N 48 116.700 118.997 -2.297 1
1 482 . 7 1 1 A 49 49 ILE H H 49 9.130 9.573 -0.443 1
1 483 . 7 1 1 A 49 49 ILE HA H 49 4.660 4.961 -0.301 1
1 493 . 7 1 1 A 49 49 ILE C C 49 173.900 174.508 -0.608 1
1 494 . 7 1 1 A 49 49 ILE CA C 49 59.400 60.244 -0.844 1
1 495 . 7 1 1 A 49 49 ILE CB C 49 40.700 40.288 0.412 1
1 499 . 7 1 1 A 49 49 ILE N N 49 119.500 123.809 -4.309 1
1 500 . 7 1 1 A 50 50 VAL H H 50 9.220 9.224 -0.004 1
1 501 . 7 1 1 A 50 50 VAL HA H 50 4.860 5.275 -0.415 1
1 509 . 7 1 1 A 50 50 VAL C C 50 175.200 173.798 1.402 1
1 510 . 7 1 1 A 50 50 VAL CA C 50 60.100 60.188 -0.088 1
1 511 . 7 1 1 A 50 50 VAL CB C 50 33.400 34.260 -0.860 1
1 514 . 7 1 1 A 50 50 VAL N N 50 128.600 128.880 -0.280 1
1 515 . 7 1 1 A 51 51 GLY H H 51 7.860 8.323 -0.463 1
1 516 . 7 1 1 A 51 51 GLY HA2 H 51 5.420 3.584 1.836 1
1 517 . 7 1 1 A 51 51 GLY HA3 H 51 2.080 3.970 -1.890 1
1 518 . 7 1 1 A 51 51 GLY C C 51 170.700 172.321 -1.621 1
1 519 . 7 1 1 A 51 51 GLY CA C 51 43.600 44.271 -0.671 1
1 520 . 7 1 1 A 51 51 GLY N N 51 116.100 115.640 0.460 1
1 521 . 7 1 1 A 52 52 ASP H H 52 8.940 8.655 0.285 1
1 522 . 7 1 1 A 52 52 ASP HA H 52 5.540 5.714 -0.174 1
1 525 . 7 1 1 A 52 52 ASP C C 52 174.200 176.403 -2.203 1
1 526 . 7 1 1 A 52 52 ASP CA C 52 53.000 52.669 0.331 1
1 527 . 7 1 1 A 52 52 ASP CB C 52 47.100 42.714 4.386 1
1 528 . 7 1 1 A 52 52 ASP N N 52 121.200 122.136 -0.936 1
1 529 . 7 1 1 A 53 53 TRP H H 53 7.980 8.983 -1.003 1
1 530 . 7 1 1 A 53 53 TRP HA H 53 4.950 4.891 0.059 1
1 539 . 7 1 1 A 53 53 TRP C C 53 178.500 177.874 0.626 1
1 540 . 7 1 1 A 53 53 TRP CA C 53 56.200 57.741 -1.541 1
1 541 . 7 1 1 A 53 53 TRP CB C 53 28.500 30.083 -1.583 1
1 547 . 7 1 1 A 53 53 TRP N N 53 119.900 122.485 -2.585 1
1 549 . 7 1 1 A 54 54 GLY H H 54 10.320 8.609 1.711 1
1 550 . 7 1 1 A 54 54 GLY HA2 H 54 4.020 3.833 0.187 1
1 551 . 7 1 1 A 54 54 GLY HA3 H 54 4.020 3.837 0.183 1
1 552 . 7 1 1 A 54 54 GLY CA C 54 48.600 47.788 0.812 1
1 553 . 7 1 1 A 54 54 GLY N N 54 115.400 109.353 6.047 1
1 554 . 7 1 1 A 55 55 TYR HA H 55 4.890 4.626 0.264 1
1 561 . 7 1 1 A 55 55 TYR CA C 55 56.800 60.731 -3.931 1
1 562 . 7 1 1 A 55 55 TYR CB C 55 38.100 39.032 -0.932 1
1 565 . 7 1 1 A 56 56 GLY HA2 H 56 3.850 4.057 -0.207 1
1 566 . 7 1 1 A 56 56 GLY HA3 H 56 4.360 4.157 0.203 1
1 567 . 7 1 1 A 56 56 GLY C C 56 173.100 174.155 -1.055 1
1 568 . 7 1 1 A 56 56 GLY CA C 56 45.600 45.349 0.251 1
1 569 . 7 1 1 A 57 57 GLN H H 57 7.380 8.026 -0.646 1
1 570 . 7 1 1 A 57 57 GLN HA H 57 4.660 4.609 0.051 1
1 576 . 7 1 1 A 57 57 GLN C C 57 173.800 175.081 -1.281 1
1 577 . 7 1 1 A 57 57 GLN CA C 57 53.400 54.737 -1.337 1
1 578 . 7 1 1 A 57 57 GLN CB C 57 31.600 30.598 1.002 1
1 580 . 7 1 1 A 57 57 GLN N N 57 116.300 120.680 -4.380 1
1 582 . 7 1 1 A 58 58 LEU H H 58 8.100 8.346 -0.246 1
1 583 . 7 1 1 A 58 58 LEU HA H 58 3.250 4.122 -0.872 1
1 593 . 7 1 1 A 58 58 LEU C C 58 174.200 175.273 -1.073 1
1 594 . 7 1 1 A 58 58 LEU CA C 58 55.500 55.676 -0.176 1
1 595 . 7 1 1 A 58 58 LEU CB C 58 39.900 41.460 -1.560 1
1 599 . 7 1 1 A 58 58 LEU N N 58 124.400 127.523 -3.123 1
1 600 . 7 1 1 A 59 59 ARG H H 59 8.360 8.580 -0.220 1
1 601 . 7 1 1 A 59 59 ARG HA H 59 4.470 4.865 -0.395 1
1 608 . 7 1 1 A 59 59 ARG C C 59 174.000 174.498 -0.498 1
1 609 . 7 1 1 A 59 59 ARG CA C 59 54.200 54.407 -0.207 1
1 610 . 7 1 1 A 59 59 ARG CB C 59 33.000 33.136 -0.136 1
1 613 . 7 1 1 A 59 59 ARG N N 59 130.500 127.998 2.502 1
1 614 . 7 1 1 A 60 60 LEU H H 60 8.480 8.914 -0.434 1
1 615 . 7 1 1 A 60 60 LEU HA H 60 5.260 4.841 0.419 1
1 625 . 7 1 1 A 60 60 LEU C C 60 176.000 175.538 0.462 1
1 626 . 7 1 1 A 60 60 LEU CA C 60 52.500 54.004 -1.504 1
1 627 . 7 1 1 A 60 60 LEU CB C 60 44.200 41.926 2.274 1
1 631 . 7 1 1 A 60 60 LEU N N 60 122.400 128.073 -5.673 1
1 632 . 7 1 1 A 61 61 LYS H H 61 8.900 9.150 -0.250 1
1 633 . 7 1 1 A 61 61 LYS HA H 61 4.160 4.799 -0.639 1
1 642 . 7 1 1 A 61 61 LYS C C 61 174.200 175.103 -0.903 1
1 643 . 7 1 1 A 61 61 LYS CA C 61 54.800 54.395 0.405 1
1 644 . 7 1 1 A 61 61 LYS CB C 61 36.600 34.508 2.092 1
1 648 . 7 1 1 A 61 61 LYS N N 61 123.800 125.889 -2.089 1
1 649 . 7 1 1 A 62 62 GLY H H 62 8.140 7.758 0.382 1
1 650 . 7 1 1 A 62 62 GLY HA2 H 62 4.160 3.459 0.701 1
1 651 . 7 1 1 A 62 62 GLY HA3 H 62 4.160 4.005 0.155 1
1 652 . 7 1 1 A 62 62 GLY C C 62 172.000 171.327 0.673 1
1 653 . 7 1 1 A 62 62 GLY CA C 62 43.000 43.390 -0.390 1
1 654 . 7 1 1 A 62 62 GLY N N 62 114.000 110.643 3.357 1
1 655 . 7 1 1 A 63 63 PHE H H 63 8.500 8.428 0.072 1
1 656 . 7 1 1 A 63 63 PHE HA H 63 4.800 4.904 -0.104 1
1 664 . 7 1 1 A 63 63 PHE C C 63 175.400 174.283 1.117 1
1 665 . 7 1 1 A 63 63 PHE CA C 63 55.800 56.112 -0.312 1
1 666 . 7 1 1 A 63 63 PHE CB C 63 46.200 43.891 2.309 1
1 670 . 7 1 1 A 63 63 PHE N N 63 118.600 120.690 -2.090 1
1 671 . 7 1 1 A 64 64 PHE H H 64 9.930 8.829 1.101 1
1 672 . 7 1 1 A 64 64 PHE HA H 64 5.460 5.329 0.131 1
1 679 . 7 1 1 A 64 64 PHE C C 64 175.600 174.949 0.651 1
1 680 . 7 1 1 A 64 64 PHE CA C 64 57.500 57.483 0.017 1
1 681 . 7 1 1 A 64 64 PHE CB C 64 43.100 41.902 1.198 1
1 684 . 7 1 1 A 64 64 PHE N N 64 120.100 119.243 0.857 1
1 685 . 7 1 1 A 65 65 ASP H H 65 10.950 8.972 1.978 1
1 686 . 7 1 1 A 65 65 ASP HA H 65 4.860 4.561 0.299 1
1 689 . 7 1 1 A 65 65 ASP C C 65 177.400 175.270 2.130 1
1 690 . 7 1 1 A 65 65 ASP CA C 65 56.400 54.550 1.850 1
1 691 . 7 1 1 A 65 65 ASP CB C 65 42.800 40.821 1.979 1
1 692 . 7 1 1 A 65 65 ASP N N 65 123.200 121.752 1.448 1
1 693 . 7 1 1 A 66 66 ASP H H 66 8.470 8.761 -0.291 1
1 694 . 7 1 1 A 66 66 ASP HA H 66 4.110 5.040 -0.930 1
1 697 . 7 1 1 A 66 66 ASP C C 66 175.300 176.039 -0.739 1
1 698 . 7 1 1 A 66 66 ASP CA C 66 57.800 52.437 5.363 1
1 699 . 7 1 1 A 66 66 ASP CB C 66 42.000 43.317 -1.317 1
1 700 . 7 1 1 A 66 66 ASP N N 66 122.800 125.884 -3.084 1
1 701 . 7 1 1 A 67 67 GLN H H 67 8.500 8.763 -0.263 1
1 702 . 7 1 1 A 67 67 GLN HA H 67 4.250 3.888 0.362 1
1 707 . 7 1 1 A 67 67 GLN C C 67 175.900 175.156 0.744 1
1 708 . 7 1 1 A 67 67 GLN CA C 67 55.400 56.825 -1.425 1
1 709 . 7 1 1 A 67 67 GLN CB C 67 28.300 26.319 1.981 1
1 711 . 7 1 1 A 68 68 ASN H H 68 7.880 8.299 -0.419 1
1 712 . 7 1 1 A 68 68 ASN HA H 68 4.430 4.659 -0.229 1
1 714 . 7 1 1 A 68 68 ASN CA C 68 53.300 53.213 0.087 1
1 715 . 7 1 1 A 68 68 ASN CB C 68 39.300 36.996 2.304 1
1 716 . 7 1 1 A 68 68 ASN N N 68 121.500 117.325 4.175 1
1 722 . 7 1 1 A 73 73 PHE HA H 73 4.190 5.466 -1.276 1
1 730 . 7 1 1 A 73 73 PHE CA C 73 61.300 55.272 6.028 1
1 731 . 7 1 1 A 73 73 PHE CB C 73 38.600 42.343 -3.743 1
1 735 . 7 1 1 A 74 74 GLU HA H 74 4.290 4.295 -0.005 1
1 738 . 7 1 1 A 74 74 GLU CA C 74 56.800 58.364 -1.564 1
1 739 . 7 1 1 A 74 74 GLU CB C 74 29.900 30.238 -0.338 1
1 741 . 7 1 1 A 75 75 THR HA H 75 4.180 5.028 -0.848 1
1 746 . 7 1 1 A 75 75 THR C C 75 174.100 173.184 0.916 1
1 747 . 7 1 1 A 75 75 THR CA C 75 60.700 60.984 -0.284 1
1 748 . 7 1 1 A 75 75 THR CB C 75 69.800 71.006 -1.206 1
1 750 . 7 1 1 A 76 76 LYS HA H 76 3.880 4.900 -1.020 1
1 759 . 7 1 1 A 76 76 LYS CA C 76 55.900 54.636 1.264 1
1 760 . 7 1 1 A 76 76 LYS CB C 76 32.100 35.610 -3.510 1
1 764 . 7 1 1 A 77 77 ILE H H 77 9.060 8.594 0.466 1
1 765 . 7 1 1 A 77 77 ILE HA H 77 3.850 4.461 -0.611 1
1 775 . 7 1 1 A 77 77 ILE C C 77 175.900 175.567 0.333 1
1 776 . 7 1 1 A 77 77 ILE CA C 77 59.600 60.375 -0.775 1
1 777 . 7 1 1 A 77 77 ILE CB C 77 38.400 40.863 -2.463 1
1 781 . 7 1 1 A 77 77 ILE N N 77 126.900 124.420 2.480 1
1 782 . 7 1 1 A 78 78 SER H H 78 8.730 8.806 -0.076 1
1 783 . 7 1 1 A 78 78 SER HA H 78 4.140 4.007 0.133 1
1 786 . 7 1 1 A 78 78 SER C C 78 176.200 176.335 -0.135 1
1 787 . 7 1 1 A 78 78 SER CA C 78 60.800 62.271 -1.471 1
1 788 . 7 1 1 A 78 78 SER CB C 78 61.200 62.886 -1.686 1
1 789 . 7 1 1 A 78 78 SER N N 78 119.000 121.945 -2.945 1
1 790 . 7 1 1 A 79 79 THR H H 79 8.050 7.594 0.456 1
1 791 . 7 1 1 A 79 79 THR HA H 79 4.580 3.970 0.610 1
1 796 . 7 1 1 A 79 79 THR C C 79 174.400 175.852 -1.452 1
1 797 . 7 1 1 A 79 79 THR CA C 79 62.200 64.984 -2.784 1
1 798 . 7 1 1 A 79 79 THR CB C 79 69.300 68.531 0.769 1
1 800 . 7 1 1 A 79 79 THR N N 79 114.300 115.446 -1.146 1
1 801 . 7 1 1 A 80 80 LEU H H 80 7.470 7.761 -0.291 1
1 802 . 7 1 1 A 80 80 LEU HA H 80 3.580 3.285 0.295 1
1 812 . 7 1 1 A 80 80 LEU C C 80 176.500 177.759 -1.259 1
1 813 . 7 1 1 A 80 80 LEU CA C 80 58.400 57.965 0.435 1
1 814 . 7 1 1 A 80 80 LEU CB C 80 41.800 41.448 0.352 1
1 818 . 7 1 1 A 80 80 LEU N N 80 123.200 121.877 1.323 1
1 819 . 7 1 1 A 81 81 ASP H H 81 8.450 7.865 0.585 1
1 820 . 7 1 1 A 81 81 ASP HA H 81 4.060 4.153 -0.093 1
1 823 . 7 1 1 A 81 81 ASP C C 81 178.700 178.252 0.448 1
1 824 . 7 1 1 A 81 81 ASP CA C 81 57.600 57.870 -0.270 1
1 825 . 7 1 1 A 81 81 ASP CB C 81 39.500 41.515 -2.015 1
1 826 . 7 1 1 A 81 81 ASP N N 81 116.000 118.862 -2.862 1
1 827 . 7 1 1 A 82 82 GLU H H 82 7.800 7.724 0.076 1
1 828 . 7 1 1 A 82 82 GLU HA H 82 4.030 3.998 0.032 1
1 833 . 7 1 1 A 82 82 GLU C C 82 178.500 178.649 -0.149 1
1 834 . 7 1 1 A 82 82 GLU CA C 82 59.100 59.297 -0.197 1
1 835 . 7 1 1 A 82 82 GLU CB C 82 29.300 29.485 -0.185 1
1 837 . 7 1 1 A 82 82 GLU N N 82 120.400 118.867 1.533 1
1 838 . 7 1 1 A 83 83 TYR H H 83 8.190 7.923 0.267 1
1 839 . 7 1 1 A 83 83 TYR HA H 83 4.410 4.326 0.084 1
1 846 . 7 1 1 A 83 83 TYR C C 83 176.700 177.148 -0.448 1
1 847 . 7 1 1 A 83 83 TYR CA C 83 60.900 61.501 -0.601 1
1 848 . 7 1 1 A 83 83 TYR CB C 83 37.600 38.475 -0.875 1
1 851 . 7 1 1 A 83 83 TYR N N 83 122.900 121.834 1.066 1
1 852 . 7 1 1 A 84 84 ILE H H 84 8.400 8.659 -0.259 1
1 853 . 7 1 1 A 84 84 ILE HA H 84 3.240 3.500 -0.260 1
1 863 . 7 1 1 A 84 84 ILE C C 84 178.000 177.543 0.457 1
1 864 . 7 1 1 A 84 84 ILE CA C 84 60.800 65.628 -4.828 1
1 865 . 7 1 1 A 84 84 ILE CB C 84 35.500 37.570 -2.070 1
1 869 . 7 1 1 A 84 84 ILE N N 84 119.100 120.895 -1.795 1
1 870 . 7 1 1 A 85 85 TYR H H 85 7.820 8.450 -0.630 1
1 871 . 7 1 1 A 85 85 TYR HA H 85 3.910 4.033 -0.123 1
1 878 . 7 1 1 A 85 85 TYR C C 85 176.800 177.869 -1.069 1
1 879 . 7 1 1 A 85 85 TYR CA C 85 60.700 61.237 -0.537 1
1 880 . 7 1 1 A 85 85 TYR CB C 85 37.900 38.906 -1.006 1
1 883 . 7 1 1 A 85 85 TYR N N 85 119.100 120.568 -1.468 1
1 884 . 7 1 1 A 86 86 GLU H H 86 7.660 7.894 -0.234 1
1 885 . 7 1 1 A 86 86 GLU HA H 86 3.690 4.039 -0.349 1
1 890 . 7 1 1 A 86 86 GLU C C 86 177.900 178.077 -0.177 1
1 891 . 7 1 1 A 86 86 GLU CA C 86 58.200 58.575 -0.375 1
1 892 . 7 1 1 A 86 86 GLU CB C 86 29.500 30.227 -0.727 1
1 894 . 7 1 1 A 86 86 GLU N N 86 116.700 119.070 -2.370 1
1 895 . 7 1 1 A 87 87 TYR H H 87 8.010 7.610 0.400 1
1 896 . 7 1 1 A 87 87 TYR HA H 87 4.090 4.320 -0.230 1
1 903 . 7 1 1 A 87 87 TYR C C 87 176.000 176.624 -0.624 1
1 904 . 7 1 1 A 87 87 TYR CA C 87 60.100 59.955 0.145 1
1 905 . 7 1 1 A 87 87 TYR CB C 87 37.300 39.384 -2.084 1
1 908 . 7 1 1 A 87 87 TYR N N 87 114.900 116.914 -2.014 1
1 909 . 7 1 1 A 88 88 CYS H H 88 8.300 8.020 0.280 1
1 910 . 7 1 1 A 88 88 CYS HA H 88 4.760 4.823 -0.063 1
1 913 . 7 1 1 A 88 88 CYS CA C 88 53.500 54.684 -1.184 1
1 914 . 7 1 1 A 88 88 CYS CB C 88 42.000 42.674 -0.674 1
1 915 . 7 1 1 A 88 88 CYS N N 88 119.700 117.057 2.643 1
1 916 . 7 1 1 A 89 89 ASN C C 89 176.500 176.207 0.293 1
1 917 . 7 1 1 A 90 90 PHE HA H 90 4.590 4.370 0.220 1
1 925 . 7 1 1 A 90 90 PHE CA C 90 57.400 60.067 -2.667 1
1 926 . 7 1 1 A 90 90 PHE CB C 90 38.200 38.907 -0.707 1
1 930 . 7 1 1 A 92 92 CYS HA H 92 4.660 5.072 -0.412 1
1 933 . 7 1 1 A 92 92 CYS C C 92 172.000 173.855 -1.855 1
1 934 . 7 1 1 A 92 92 CYS CA C 92 55.000 55.325 -0.325 1
1 935 . 7 1 1 A 92 92 CYS CB C 92 47.400 43.404 3.996 1
1 936 . 7 1 1 A 93 93 ALA H H 93 8.670 8.571 0.099 1
1 937 . 7 1 1 A 93 93 ALA HA H 93 4.520 4.751 -0.231 1
1 941 . 7 1 1 A 93 93 ALA C C 93 177.400 177.201 0.199 1
1 942 . 7 1 1 A 93 93 ALA CA C 93 52.400 52.363 0.037 1
1 943 . 7 1 1 A 93 93 ALA CB C 93 19.800 19.500 0.300 1
1 944 . 7 1 1 A 93 93 ALA N N 93 126.000 123.767 2.233 1
1 945 . 7 1 1 A 94 94 TYR H H 94 8.460 8.099 0.361 1
1 946 . 7 1 1 A 94 94 TYR HA H 94 5.570 6.001 -0.431 1
1 953 . 7 1 1 A 94 94 TYR C C 94 171.500 173.565 -2.065 1
1 954 . 7 1 1 A 94 94 TYR CA C 94 57.200 56.388 0.812 1
1 955 . 7 1 1 A 94 94 TYR CB C 94 39.800 41.056 -1.256 1
1 958 . 7 1 1 A 94 94 TYR N N 94 116.200 118.185 -1.985 1
1 959 . 7 1 1 A 95 95 PHE H H 95 9.220 8.760 0.460 1
1 960 . 7 1 1 A 95 95 PHE HA H 95 5.280 5.838 -0.558 1
1 967 . 7 1 1 A 95 95 PHE C C 95 172.900 173.077 -0.177 1
1 968 . 7 1 1 A 95 95 PHE CA C 95 55.200 55.549 -0.349 1
1 969 . 7 1 1 A 95 95 PHE CB C 95 42.400 43.561 -1.161 1
1 972 . 7 1 1 A 95 95 PHE N N 95 114.100 117.387 -3.287 1
1 973 . 7 1 1 A 96 96 VAL H H 96 9.130 9.363 -0.233 1
1 974 . 7 1 1 A 96 96 VAL HA H 96 4.860 5.096 -0.236 1
1 982 . 7 1 1 A 96 96 VAL C C 96 174.800 174.742 0.058 1
1 983 . 7 1 1 A 96 96 VAL CA C 96 61.400 61.407 -0.007 1
1 984 . 7 1 1 A 96 96 VAL CB C 96 35.100 34.562 0.538 1
1 987 . 7 1 1 A 96 96 VAL N N 96 118.400 120.722 -2.322 1
1 988 . 7 1 1 A 97 97 LEU H H 97 9.610 9.725 -0.115 1
1 989 . 7 1 1 A 97 97 LEU HA H 97 5.380 5.424 -0.044 1
1 999 . 7 1 1 A 97 97 LEU C C 97 175.700 175.357 0.343 1
1 1000 . 7 1 1 A 97 97 LEU CA C 97 52.100 53.388 -1.288 1
1 1001 . 7 1 1 A 97 97 LEU CB C 97 44.500 45.175 -0.675 1
1 1005 . 7 1 1 A 97 97 LEU N N 97 126.100 127.299 -1.199 1
1 1006 . 7 1 1 A 98 98 LYS H H 98 9.660 8.583 1.077 1
1 1007 . 7 1 1 A 98 98 LYS HA H 98 4.740 5.008 -0.268 1
1 1016 . 7 1 1 A 98 98 LYS C C 98 175.500 175.641 -0.141 1
1 1017 . 7 1 1 A 98 98 LYS CA C 98 54.400 54.512 -0.112 1
1 1018 . 7 1 1 A 98 98 LYS CB C 98 37.500 35.527 1.973 1
1 1022 . 7 1 1 A 98 98 LYS N N 98 123.900 123.641 0.259 1
1 1023 . 7 1 1 A 99 99 ARG H H 99 8.400 8.709 -0.309 1
1 1024 . 7 1 1 A 99 99 ARG HA H 99 4.040 3.802 0.238 1
1 1031 . 7 1 1 A 99 99 ARG C C 99 174.800 175.989 -1.189 1
1 1032 . 7 1 1 A 99 99 ARG CA C 99 55.500 55.759 -0.259 1
1 1033 . 7 1 1 A 99 99 ARG CB C 99 30.000 29.674 0.326 1
1 1036 . 7 1 1 A 99 99 ARG N N 99 128.700 126.744 1.956 1
1 1037 . 7 1 1 A 100 100 ILE H H 100 8.660 8.722 -0.062 1
1 1038 . 7 1 1 A 100 100 ILE HA H 100 4.150 3.764 0.386 1
1 1048 . 7 1 1 A 100 100 ILE CA C 100 59.100 64.040 -4.940 1
1 1049 . 7 1 1 A 100 100 ILE CB C 100 36.300 38.362 -2.062 1
1 1053 . 7 1 1 A 100 100 ILE N N 100 130.500 127.790 2.710 1
1 1054 . 7 1 1 A 101 101 ARG C C 101 177.000 174.385 2.615 1
1 1055 . 7 1 1 A 102 102 LYS C C 102 178.900 176.431 2.469 1
1 1056 . 7 1 1 A 103 103 LEU HA H 103 4.230 4.052 0.178 1
1 1066 . 7 1 1 A 103 103 LEU CA C 103 54.900 55.530 -0.630 1
1 1067 . 7 1 1 A 103 103 LEU CB C 103 42.100 41.105 0.995 1
1 1071 . 7 1 1 A 104 104 GLU HA H 104 4.010 4.693 -0.683 1
1 1075 . 7 1 1 A 104 104 GLU CA C 104 58.300 55.890 2.410 1
1 1076 . 7 1 1 A 104 104 GLU CB C 104 28.300 30.444 -2.144 1
1 1 . 8 1 1 A 10 10 GLU HA H 10 4.230 4.485 -0.255 1
1 6 . 8 1 1 A 10 10 GLU C C 10 176.100 175.091 1.009 1
1 7 . 8 1 1 A 10 10 GLU CA C 10 56.800 57.791 -0.991 1
1 8 . 8 1 1 A 10 10 GLU CB C 10 30.400 31.732 -1.332 1
1 10 . 8 1 1 A 11 11 ILE H H 11 8.270 7.708 0.562 1
1 11 . 8 1 1 A 11 11 ILE HA H 11 4.100 4.344 -0.244 1
1 21 . 8 1 1 A 11 11 ILE C C 11 173.900 174.692 -0.792 1
1 22 . 8 1 1 A 11 11 ILE CA C 11 60.900 60.952 -0.052 1
1 23 . 8 1 1 A 11 11 ILE CB C 11 38.300 39.503 -1.203 1
1 27 . 8 1 1 A 11 11 ILE N N 11 121.800 118.513 3.287 1
1 28 . 8 1 1 A 12 12 MET H H 12 8.150 8.756 -0.606 1
1 29 . 8 1 1 A 12 12 MET HA H 12 5.250 5.466 -0.216 1
1 37 . 8 1 1 A 12 12 MET C C 12 175.500 174.870 0.630 1
1 38 . 8 1 1 A 12 12 MET CA C 12 53.100 53.551 -0.451 1
1 39 . 8 1 1 A 12 12 MET CB C 12 33.600 33.859 -0.259 1
1 42 . 8 1 1 A 12 12 MET N N 12 125.200 125.983 -0.783 1
1 43 . 8 1 1 A 13 13 ILE H H 13 9.200 9.669 -0.469 1
1 44 . 8 1 1 A 13 13 ILE HA H 13 4.400 4.611 -0.211 1
1 54 . 8 1 1 A 13 13 ILE C C 13 173.500 174.754 -1.254 1
1 55 . 8 1 1 A 13 13 ILE CA C 13 59.600 60.817 -1.217 1
1 56 . 8 1 1 A 13 13 ILE CB C 13 40.500 38.279 2.221 1
1 60 . 8 1 1 A 13 13 ILE N N 13 123.700 125.838 -2.138 1
1 61 . 8 1 1 A 14 14 LEU H H 14 8.550 9.183 -0.633 1
1 62 . 8 1 1 A 14 14 LEU HA H 14 5.200 5.064 0.136 1
1 72 . 8 1 1 A 14 14 LEU C C 14 176.100 175.832 0.268 1
1 73 . 8 1 1 A 14 14 LEU CA C 14 53.700 53.971 -0.271 1
1 74 . 8 1 1 A 14 14 LEU CB C 14 43.700 41.415 2.285 1
1 78 . 8 1 1 A 14 14 LEU N N 14 128.800 128.777 0.023 1
1 79 . 8 1 1 A 15 15 ILE H H 15 8.780 9.089 -0.309 1
1 80 . 8 1 1 A 15 15 ILE HA H 15 4.350 4.493 -0.143 1
1 90 . 8 1 1 A 15 15 ILE CA C 15 58.700 60.108 -1.408 1
1 91 . 8 1 1 A 15 15 ILE CB C 15 39.800 40.995 -1.195 1
1 95 . 8 1 1 A 15 15 ILE N N 15 123.000 125.278 -2.278 1
1 96 . 8 1 1 A 16 16 GLN HA H 16 3.710 4.112 -0.402 1
1 100 . 8 1 1 A 16 16 GLN CA C 16 57.700 57.413 0.287 1
1 101 . 8 1 1 A 16 16 GLN CB C 16 26.500 27.096 -0.596 1
1 103 . 8 1 1 A 17 17 ASN HA H 17 4.460 4.273 0.187 1
1 108 . 8 1 1 A 17 17 ASN C C 17 173.300 173.837 -0.537 1
1 109 . 8 1 1 A 17 17 ASN CA C 17 53.900 54.812 -0.912 1
1 110 . 8 1 1 A 17 17 ASN CB C 17 38.100 36.964 1.136 1
1 112 . 8 1 1 A 18 18 ALA H H 18 8.450 7.429 1.021 1
1 113 . 8 1 1 A 18 18 ALA HA H 18 4.250 4.669 -0.419 1
1 117 . 8 1 1 A 18 18 ALA C C 18 174.000 174.937 -0.937 1
1 118 . 8 1 1 A 18 18 ALA CA C 18 51.600 50.850 0.750 1
1 119 . 8 1 1 A 18 18 ALA CB C 18 20.500 21.764 -1.264 1
1 120 . 8 1 1 A 18 18 ALA N N 18 125.200 118.878 6.322 1
1 121 . 8 1 1 A 19 19 GLU H H 19 7.930 8.754 -0.824 1
1 122 . 8 1 1 A 19 19 GLU HA H 19 5.000 4.648 0.352 1
1 127 . 8 1 1 A 19 19 GLU C C 19 174.500 175.317 -0.817 1
1 128 . 8 1 1 A 19 19 GLU CA C 19 54.400 55.028 -0.628 1
1 129 . 8 1 1 A 19 19 GLU CB C 19 32.500 30.887 1.613 1
1 131 . 8 1 1 A 19 19 GLU N N 19 121.700 124.111 -2.411 1
1 132 . 8 1 1 A 20 20 PHE H H 20 9.110 9.296 -0.186 1
1 133 . 8 1 1 A 20 20 PHE HA H 20 5.340 5.591 -0.251 1
1 141 . 8 1 1 A 20 20 PHE C C 20 173.900 174.327 -0.427 1
1 142 . 8 1 1 A 20 20 PHE CA C 20 55.800 56.739 -0.939 1
1 143 . 8 1 1 A 20 20 PHE CB C 20 44.800 43.335 1.465 1
1 147 . 8 1 1 A 20 20 PHE N N 20 120.100 125.705 -5.605 1
1 148 . 8 1 1 A 21 21 GLU H H 21 9.200 9.240 -0.040 1
1 149 . 8 1 1 A 21 21 GLU HA H 21 5.040 5.343 -0.303 1
1 154 . 8 1 1 A 21 21 GLU C C 21 176.200 174.624 1.576 1
1 155 . 8 1 1 A 21 21 GLU CA C 21 53.700 54.657 -0.957 1
1 156 . 8 1 1 A 21 21 GLU CB C 21 33.600 33.555 0.045 1
1 158 . 8 1 1 A 21 21 GLU N N 21 120.800 118.869 1.931 1
1 159 . 8 1 1 A 22 22 LEU H H 22 8.590 8.805 -0.215 1
1 160 . 8 1 1 A 22 22 LEU HA H 22 4.420 4.479 -0.059 1
1 170 . 8 1 1 A 22 22 LEU C C 22 175.200 176.921 -1.721 1
1 171 . 8 1 1 A 22 22 LEU CA C 22 54.900 54.581 0.319 1
1 172 . 8 1 1 A 22 22 LEU CB C 22 41.000 41.683 -0.683 1
1 176 . 8 1 1 A 22 22 LEU N N 22 127.900 125.252 2.648 1
1 177 . 8 1 1 A 23 23 VAL H H 23 8.350 8.626 -0.276 1
1 178 . 8 1 1 A 23 23 VAL HA H 23 4.460 4.269 0.191 1
1 186 . 8 1 1 A 23 23 VAL C C 23 175.500 175.780 -0.280 1
1 187 . 8 1 1 A 23 23 VAL CA C 23 62.100 63.232 -1.132 1
1 188 . 8 1 1 A 23 23 VAL CB C 23 32.600 32.602 -0.002 1
1 191 . 8 1 1 A 23 23 VAL N N 23 122.700 122.243 0.457 1
1 192 . 8 1 1 A 24 24 HIS H H 24 7.590 7.226 0.364 1
1 193 . 8 1 1 A 24 24 HIS HA H 24 4.750 4.914 -0.164 1
1 197 . 8 1 1 A 24 24 HIS CA C 24 56.800 55.552 1.248 1
1 198 . 8 1 1 A 24 24 HIS CB C 24 34.800 33.111 1.689 1
1 200 . 8 1 1 A 24 24 HIS N N 24 118.300 120.871 -2.571 1
1 201 . 8 1 1 A 25 25 ASN HA H 25 5.070 5.074 -0.004 1
1 206 . 8 1 1 A 25 25 ASN C C 25 172.500 173.143 -0.643 1
1 207 . 8 1 1 A 25 25 ASN CA C 25 52.000 52.459 -0.459 1
1 208 . 8 1 1 A 25 25 ASN CB C 25 40.400 41.282 -0.882 1
1 210 . 8 1 1 A 26 26 PHE H H 26 9.000 8.951 0.049 1
1 211 . 8 1 1 A 26 26 PHE HA H 26 4.540 4.475 0.065 1
1 219 . 8 1 1 A 26 26 PHE C C 26 174.500 175.184 -0.684 1
1 220 . 8 1 1 A 26 26 PHE CA C 26 57.100 57.643 -0.543 1
1 221 . 8 1 1 A 26 26 PHE CB C 26 40.900 39.788 1.112 1
1 225 . 8 1 1 A 26 26 PHE N N 26 128.200 127.871 0.329 1
1 226 . 8 1 1 A 27 27 LYS H H 27 8.700 9.262 -0.562 1
1 227 . 8 1 1 A 27 27 LYS HA H 27 3.290 3.652 -0.362 1
1 236 . 8 1 1 A 27 27 LYS C C 27 174.500 175.456 -0.956 1
1 237 . 8 1 1 A 27 27 LYS CA C 27 56.800 57.095 -0.295 1
1 238 . 8 1 1 A 27 27 LYS CB C 27 29.500 29.682 -0.182 1
1 242 . 8 1 1 A 27 27 LYS N N 27 126.000 126.944 -0.944 1
1 243 . 8 1 1 A 28 28 ASP H H 28 8.560 8.427 0.133 1
1 244 . 8 1 1 A 28 28 ASP HA H 28 4.080 4.339 -0.259 1
1 247 . 8 1 1 A 28 28 ASP C C 28 174.700 176.784 -2.084 1
1 248 . 8 1 1 A 28 28 ASP CA C 28 54.800 55.639 -0.839 1
1 249 . 8 1 1 A 28 28 ASP CB C 28 39.100 39.026 0.074 1
1 250 . 8 1 1 A 28 28 ASP N N 28 112.300 111.243 1.057 1
1 251 . 8 1 1 A 29 29 GLY H H 29 7.160 7.879 -0.719 1
1 252 . 8 1 1 A 29 29 GLY HA2 H 29 3.490 3.873 -0.383 1
1 253 . 8 1 1 A 29 29 GLY HA3 H 29 3.780 4.122 -0.342 1
1 254 . 8 1 1 A 29 29 GLY C C 29 174.800 174.610 0.190 1
1 255 . 8 1 1 A 29 29 GLY CA C 29 47.600 45.823 1.777 1
1 256 . 8 1 1 A 29 29 GLY N N 29 101.900 105.371 -3.471 1
1 257 . 8 1 1 A 30 30 PHE H H 30 9.400 7.635 1.765 1
1 258 . 8 1 1 A 30 30 PHE HA H 30 3.380 3.953 -0.573 1
1 266 . 8 1 1 A 30 30 PHE CA C 30 60.700 56.658 4.042 1
1 267 . 8 1 1 A 30 30 PHE CB C 30 37.700 38.412 -0.712 1
1 271 . 8 1 1 A 30 30 PHE N N 30 120.800 121.629 -0.829 1
1 272 . 8 1 1 A 31 31 ASN H H 31 5.090 7.970 -2.880 1
1 273 . 8 1 1 A 31 31 ASN HA H 31 4.220 4.826 -0.606 1
1 276 . 8 1 1 A 31 31 ASN CA C 31 52.400 51.520 0.880 1
1 277 . 8 1 1 A 31 31 ASN CB C 31 41.100 39.160 1.940 1
1 278 . 8 1 1 A 31 31 ASN N N 31 125.400 125.978 -0.578 1
1 279 . 8 1 1 A 32 32 GLU HA H 32 3.290 3.397 -0.107 1
1 284 . 8 1 1 A 32 32 GLU C C 32 176.900 177.974 -1.074 1
1 285 . 8 1 1 A 32 32 GLU CA C 32 60.600 59.738 0.862 1
1 286 . 8 1 1 A 32 32 GLU CB C 32 29.500 29.376 0.124 1
1 288 . 8 1 1 A 33 33 GLU H H 33 8.320 8.382 -0.062 1
1 289 . 8 1 1 A 33 33 GLU HA H 33 3.880 4.068 -0.188 1
1 294 . 8 1 1 A 33 33 GLU C C 33 179.300 178.424 0.876 1
1 295 . 8 1 1 A 33 33 GLU CA C 33 59.600 59.175 0.425 1
1 296 . 8 1 1 A 33 33 GLU CB C 33 28.700 29.414 -0.714 1
1 298 . 8 1 1 A 33 33 GLU N N 33 119.000 117.470 1.530 1
1 299 . 8 1 1 A 34 34 ALA H H 34 8.330 7.550 0.780 1
1 300 . 8 1 1 A 34 34 ALA HA H 34 4.130 4.137 -0.007 1
1 304 . 8 1 1 A 34 34 ALA C C 34 179.600 179.666 -0.066 1
1 305 . 8 1 1 A 34 34 ALA CA C 34 54.400 55.024 -0.624 1
1 306 . 8 1 1 A 34 34 ALA CB C 34 18.400 18.428 -0.028 1
1 307 . 8 1 1 A 34 34 ALA N N 34 122.200 122.330 -0.130 1
1 308 . 8 1 1 A 35 35 PHE H H 35 8.040 8.172 -0.132 1
1 309 . 8 1 1 A 35 35 PHE HA H 35 4.020 4.185 -0.165 1
1 317 . 8 1 1 A 35 35 PHE C C 35 176.100 177.646 -1.546 1
1 318 . 8 1 1 A 35 35 PHE CA C 35 61.000 61.342 -0.342 1
1 319 . 8 1 1 A 35 35 PHE CB C 35 39.000 39.369 -0.369 1
1 323 . 8 1 1 A 35 35 PHE N N 35 117.100 120.173 -3.073 1
1 324 . 8 1 1 A 36 36 LYS H H 36 8.490 8.681 -0.191 1
1 325 . 8 1 1 A 36 36 LYS HA H 36 3.320 3.978 -0.658 1
1 334 . 8 1 1 A 36 36 LYS C C 36 178.000 178.710 -0.710 1
1 335 . 8 1 1 A 36 36 LYS CA C 36 59.800 58.731 1.069 1
1 336 . 8 1 1 A 36 36 LYS CB C 36 32.100 31.398 0.702 1
1 340 . 8 1 1 A 36 36 LYS N N 36 118.100 118.470 -0.370 1
1 341 . 8 1 1 A 37 37 ALA H H 37 7.450 7.936 -0.486 1
1 342 . 8 1 1 A 37 37 ALA HA H 37 4.130 4.212 -0.082 1
1 346 . 8 1 1 A 37 37 ALA C C 37 178.500 179.069 -0.569 1
1 347 . 8 1 1 A 37 37 ALA CA C 37 53.600 54.754 -1.154 1
1 348 . 8 1 1 A 37 37 ALA CB C 37 18.500 18.584 -0.084 1
1 349 . 8 1 1 A 37 37 ALA N N 37 117.700 122.099 -4.399 1
1 350 . 8 1 1 A 38 38 ARG H H 38 7.160 7.549 -0.389 1
1 351 . 8 1 1 A 38 38 ARG HA H 38 4.340 4.295 0.045 1
1 358 . 8 1 1 A 38 38 ARG C C 38 175.400 175.897 -0.497 1
1 359 . 8 1 1 A 38 38 ARG CA C 38 54.200 55.749 -1.549 1
1 360 . 8 1 1 A 38 38 ARG CB C 38 31.400 30.372 1.028 1
1 363 . 8 1 1 A 38 38 ARG N N 38 114.800 114.963 -0.163 1
1 364 . 8 1 1 A 39 39 TYR H H 39 7.510 7.268 0.242 1
1 365 . 8 1 1 A 39 39 TYR HA H 39 3.350 4.119 -0.769 1
1 372 . 8 1 1 A 39 39 TYR C C 39 173.700 174.588 -0.888 1
1 373 . 8 1 1 A 39 39 TYR CA C 39 60.800 59.570 1.230 1
1 374 . 8 1 1 A 39 39 TYR CB C 39 38.000 39.057 -1.057 1
1 377 . 8 1 1 A 39 39 TYR N N 39 122.600 123.090 -0.490 1
1 378 . 8 1 1 A 40 40 SER H H 40 5.730 7.886 -2.156 1
1 379 . 8 1 1 A 40 40 SER HA H 40 4.470 4.803 -0.333 1
1 382 . 8 1 1 A 40 40 SER CA C 40 56.100 57.218 -1.118 1
1 383 . 8 1 1 A 40 40 SER CB C 40 65.100 66.708 -1.608 1
1 384 . 8 1 1 A 40 40 SER N N 40 119.100 123.935 -4.835 1
1 385 . 8 1 1 A 41 41 ASP HA H 41 4.210 4.320 -0.110 1
1 388 . 8 1 1 A 41 41 ASP CA C 41 56.700 57.178 -0.478 1
1 389 . 8 1 1 A 41 41 ASP CB C 41 40.500 39.455 1.045 1
1 390 . 8 1 1 A 42 42 ILE HA H 42 4.030 3.808 0.222 1
1 400 . 8 1 1 A 42 42 ILE C C 42 176.600 178.068 -1.468 1
1 401 . 8 1 1 A 42 42 ILE CA C 42 63.200 63.273 -0.073 1
1 402 . 8 1 1 A 42 42 ILE CB C 42 37.600 37.591 0.009 1
1 406 . 8 1 1 A 43 43 LEU H H 43 7.700 7.790 -0.090 1
1 407 . 8 1 1 A 43 43 LEU HA H 43 4.560 4.413 0.147 1
1 417 . 8 1 1 A 43 43 LEU C C 43 178.000 179.458 -1.458 1
1 418 . 8 1 1 A 43 43 LEU CA C 43 54.700 57.342 -2.642 1
1 419 . 8 1 1 A 43 43 LEU CB C 43 40.800 41.277 -0.477 1
1 423 . 8 1 1 A 43 43 LEU N N 43 117.500 120.588 -3.088 1
1 424 . 8 1 1 A 44 44 ASN H H 44 7.870 8.204 -0.334 1
1 425 . 8 1 1 A 44 44 ASN HA H 44 4.480 4.874 -0.394 1
1 428 . 8 1 1 A 44 44 ASN CA C 44 55.300 56.085 -0.785 1
1 429 . 8 1 1 A 44 44 ASN CB C 44 38.200 39.262 -1.062 1
1 430 . 8 1 1 A 44 44 ASN N N 44 118.400 118.133 0.267 1
1 431 . 8 1 1 A 45 45 LYS HA H 45 4.200 4.109 0.091 1
1 440 . 8 1 1 A 45 45 LYS C C 45 176.200 177.618 -1.418 1
1 441 . 8 1 1 A 45 45 LYS CA C 45 56.500 58.453 -1.953 1
1 442 . 8 1 1 A 45 45 LYS CB C 45 32.000 31.441 0.559 1
1 446 . 8 1 1 A 46 46 TYR H H 46 6.770 7.383 -0.613 1
1 447 . 8 1 1 A 46 46 TYR HA H 46 3.900 4.364 -0.464 1
1 454 . 8 1 1 A 46 46 TYR C C 46 175.500 175.283 0.217 1
1 455 . 8 1 1 A 46 46 TYR CA C 46 59.200 59.579 -0.379 1
1 456 . 8 1 1 A 46 46 TYR CB C 46 38.700 38.587 0.113 1
1 459 . 8 1 1 A 46 46 TYR N N 46 117.400 118.846 -1.446 1
1 460 . 8 1 1 A 47 47 ASP H H 47 7.540 8.103 -0.563 1
1 461 . 8 1 1 A 47 47 ASP HA H 47 4.880 4.355 0.525 1
1 464 . 8 1 1 A 47 47 ASP C C 47 175.100 174.198 0.902 1
1 465 . 8 1 1 A 47 47 ASP CA C 47 56.100 55.724 0.376 1
1 466 . 8 1 1 A 47 47 ASP CB C 47 43.100 39.414 3.686 1
1 467 . 8 1 1 A 47 47 ASP N N 47 118.300 117.133 1.167 1
1 468 . 8 1 1 A 48 48 TYR H H 48 8.640 8.127 0.513 1
1 469 . 8 1 1 A 48 48 TYR HA H 48 5.670 5.503 0.167 1
1 476 . 8 1 1 A 48 48 TYR C C 48 174.700 174.935 -0.235 1
1 477 . 8 1 1 A 48 48 TYR CA C 48 55.900 56.833 -0.933 1
1 478 . 8 1 1 A 48 48 TYR CB C 48 43.500 42.053 1.447 1
1 481 . 8 1 1 A 48 48 TYR N N 48 116.700 118.382 -1.682 1
1 482 . 8 1 1 A 49 49 ILE H H 49 9.130 9.360 -0.230 1
1 483 . 8 1 1 A 49 49 ILE HA H 49 4.660 4.872 -0.212 1
1 493 . 8 1 1 A 49 49 ILE C C 49 173.900 174.741 -0.841 1
1 494 . 8 1 1 A 49 49 ILE CA C 49 59.400 60.098 -0.698 1
1 495 . 8 1 1 A 49 49 ILE CB C 49 40.700 40.187 0.513 1
1 499 . 8 1 1 A 49 49 ILE N N 49 119.500 124.115 -4.615 1
1 500 . 8 1 1 A 50 50 VAL H H 50 9.220 8.928 0.292 1
1 501 . 8 1 1 A 50 50 VAL HA H 50 4.860 5.084 -0.224 1
1 509 . 8 1 1 A 50 50 VAL C C 50 175.200 175.007 0.193 1
1 510 . 8 1 1 A 50 50 VAL CA C 50 60.100 60.751 -0.651 1
1 511 . 8 1 1 A 50 50 VAL CB C 50 33.400 34.211 -0.811 1
1 514 . 8 1 1 A 50 50 VAL N N 50 128.600 129.181 -0.581 1
1 515 . 8 1 1 A 51 51 GLY H H 51 7.860 8.508 -0.648 1
1 516 . 8 1 1 A 51 51 GLY HA2 H 51 5.420 3.223 2.197 1
1 517 . 8 1 1 A 51 51 GLY HA3 H 51 2.080 3.924 -1.844 1
1 518 . 8 1 1 A 51 51 GLY C C 51 170.700 172.129 -1.429 1
1 519 . 8 1 1 A 51 51 GLY CA C 51 43.600 44.171 -0.571 1
1 520 . 8 1 1 A 51 51 GLY N N 51 116.100 115.230 0.870 1
1 521 . 8 1 1 A 52 52 ASP H H 52 8.940 9.063 -0.123 1
1 522 . 8 1 1 A 52 52 ASP HA H 52 5.540 5.664 -0.124 1
1 525 . 8 1 1 A 52 52 ASP C C 52 174.200 176.249 -2.049 1
1 526 . 8 1 1 A 52 52 ASP CA C 52 53.000 52.245 0.755 1
1 527 . 8 1 1 A 52 52 ASP CB C 52 47.100 43.421 3.679 1
1 528 . 8 1 1 A 52 52 ASP N N 52 121.200 121.361 -0.161 1
1 529 . 8 1 1 A 53 53 TRP H H 53 7.980 8.588 -0.608 1
1 530 . 8 1 1 A 53 53 TRP HA H 53 4.950 5.132 -0.182 1
1 539 . 8 1 1 A 53 53 TRP C C 53 178.500 176.894 1.606 1
1 540 . 8 1 1 A 53 53 TRP CA C 53 56.200 56.688 -0.488 1
1 541 . 8 1 1 A 53 53 TRP CB C 53 28.500 28.830 -0.330 1
1 547 . 8 1 1 A 53 53 TRP N N 53 119.900 121.831 -1.931 1
1 549 . 8 1 1 A 54 54 GLY H H 54 10.320 8.138 2.182 1
1 550 . 8 1 1 A 54 54 GLY HA2 H 54 4.020 3.740 0.280 1
1 551 . 8 1 1 A 54 54 GLY HA3 H 54 4.020 3.970 0.050 1
1 552 . 8 1 1 A 54 54 GLY CA C 54 48.600 46.600 2.000 1
1 553 . 8 1 1 A 54 54 GLY N N 54 115.400 108.281 7.119 1
1 554 . 8 1 1 A 55 55 TYR HA H 55 4.890 4.250 0.640 1
1 561 . 8 1 1 A 55 55 TYR CA C 55 56.800 59.224 -2.424 1
1 562 . 8 1 1 A 55 55 TYR CB C 55 38.100 37.589 0.511 1
1 565 . 8 1 1 A 56 56 GLY HA2 H 56 3.850 3.943 -0.093 1
1 566 . 8 1 1 A 56 56 GLY HA3 H 56 4.360 4.062 0.298 1
1 567 . 8 1 1 A 56 56 GLY C C 56 173.100 174.168 -1.068 1
1 568 . 8 1 1 A 56 56 GLY CA C 56 45.600 45.246 0.354 1
1 569 . 8 1 1 A 57 57 GLN H H 57 7.380 7.796 -0.416 1
1 570 . 8 1 1 A 57 57 GLN HA H 57 4.660 4.707 -0.047 1
1 576 . 8 1 1 A 57 57 GLN C C 57 173.800 174.493 -0.693 1
1 577 . 8 1 1 A 57 57 GLN CA C 57 53.400 55.006 -1.606 1
1 578 . 8 1 1 A 57 57 GLN CB C 57 31.600 30.426 1.174 1
1 580 . 8 1 1 A 57 57 GLN N N 57 116.300 118.147 -1.847 1
1 582 . 8 1 1 A 58 58 LEU H H 58 8.100 8.367 -0.267 1
1 583 . 8 1 1 A 58 58 LEU HA H 58 3.250 4.517 -1.267 1
1 593 . 8 1 1 A 58 58 LEU C C 58 174.200 175.307 -1.107 1
1 594 . 8 1 1 A 58 58 LEU CA C 58 55.500 54.400 1.100 1
1 595 . 8 1 1 A 58 58 LEU CB C 58 39.900 41.972 -2.072 1
1 599 . 8 1 1 A 58 58 LEU N N 58 124.400 125.918 -1.518 1
1 600 . 8 1 1 A 59 59 ARG H H 59 8.360 9.042 -0.682 1
1 601 . 8 1 1 A 59 59 ARG HA H 59 4.470 4.934 -0.464 1
1 608 . 8 1 1 A 59 59 ARG C C 59 174.000 174.480 -0.480 1
1 609 . 8 1 1 A 59 59 ARG CA C 59 54.200 54.208 -0.008 1
1 610 . 8 1 1 A 59 59 ARG CB C 59 33.000 33.877 -0.877 1
1 613 . 8 1 1 A 59 59 ARG N N 59 130.500 128.212 2.288 1
1 614 . 8 1 1 A 60 60 LEU H H 60 8.480 8.955 -0.475 1
1 615 . 8 1 1 A 60 60 LEU HA H 60 5.260 4.950 0.310 1
1 625 . 8 1 1 A 60 60 LEU C C 60 176.000 175.071 0.929 1
1 626 . 8 1 1 A 60 60 LEU CA C 60 52.500 53.927 -1.427 1
1 627 . 8 1 1 A 60 60 LEU CB C 60 44.200 42.566 1.634 1
1 631 . 8 1 1 A 60 60 LEU N N 60 122.400 126.989 -4.589 1
1 632 . 8 1 1 A 61 61 LYS H H 61 8.900 9.194 -0.294 1
1 633 . 8 1 1 A 61 61 LYS HA H 61 4.160 4.705 -0.545 1
1 642 . 8 1 1 A 61 61 LYS C C 61 174.200 176.004 -1.804 1
1 643 . 8 1 1 A 61 61 LYS CA C 61 54.800 53.874 0.926 1
1 644 . 8 1 1 A 61 61 LYS CB C 61 36.600 35.070 1.530 1
1 648 . 8 1 1 A 61 61 LYS N N 61 123.800 125.847 -2.047 1
1 649 . 8 1 1 A 62 62 GLY H H 62 8.140 8.489 -0.349 1
1 650 . 8 1 1 A 62 62 GLY HA2 H 62 4.160 2.294 1.866 1
1 651 . 8 1 1 A 62 62 GLY HA3 H 62 4.160 3.486 0.674 1
1 652 . 8 1 1 A 62 62 GLY C C 62 172.000 172.133 -0.133 1
1 653 . 8 1 1 A 62 62 GLY CA C 62 43.000 44.273 -1.273 1
1 654 . 8 1 1 A 62 62 GLY N N 62 114.000 112.691 1.309 1
1 655 . 8 1 1 A 63 63 PHE H H 63 8.500 8.700 -0.200 1
1 656 . 8 1 1 A 63 63 PHE HA H 63 4.800 4.959 -0.159 1
1 664 . 8 1 1 A 63 63 PHE C C 63 175.400 175.070 0.330 1
1 665 . 8 1 1 A 63 63 PHE CA C 63 55.800 56.443 -0.643 1
1 666 . 8 1 1 A 63 63 PHE CB C 63 46.200 43.009 3.191 1
1 670 . 8 1 1 A 63 63 PHE N N 63 118.600 122.880 -4.280 1
1 671 . 8 1 1 A 64 64 PHE H H 64 9.930 8.961 0.969 1
1 672 . 8 1 1 A 64 64 PHE HA H 64 5.460 5.249 0.211 1
1 679 . 8 1 1 A 64 64 PHE C C 64 175.600 175.412 0.188 1
1 680 . 8 1 1 A 64 64 PHE CA C 64 57.500 57.523 -0.023 1
1 681 . 8 1 1 A 64 64 PHE CB C 64 43.100 42.204 0.896 1
1 684 . 8 1 1 A 64 64 PHE N N 64 120.100 119.453 0.647 1
1 685 . 8 1 1 A 65 65 ASP H H 65 10.950 8.811 2.139 1
1 686 . 8 1 1 A 65 65 ASP HA H 65 4.860 4.798 0.062 1
1 689 . 8 1 1 A 65 65 ASP C C 65 177.400 175.982 1.418 1
1 690 . 8 1 1 A 65 65 ASP CA C 65 56.400 54.510 1.890 1
1 691 . 8 1 1 A 65 65 ASP CB C 65 42.800 41.216 1.584 1
1 692 . 8 1 1 A 65 65 ASP N N 65 123.200 121.420 1.780 1
1 693 . 8 1 1 A 66 66 ASP H H 66 8.470 8.582 -0.112 1
1 694 . 8 1 1 A 66 66 ASP HA H 66 4.110 5.041 -0.931 1
1 697 . 8 1 1 A 66 66 ASP C C 66 175.300 175.603 -0.303 1
1 698 . 8 1 1 A 66 66 ASP CA C 66 57.800 52.621 5.179 1
1 699 . 8 1 1 A 66 66 ASP CB C 66 42.000 43.739 -1.739 1
1 700 . 8 1 1 A 66 66 ASP N N 66 122.800 122.761 0.039 1
1 701 . 8 1 1 A 67 67 GLN H H 67 8.500 8.724 -0.224 1
1 702 . 8 1 1 A 67 67 GLN HA H 67 4.250 3.932 0.318 1
1 707 . 8 1 1 A 67 67 GLN C C 67 175.900 175.060 0.840 1
1 708 . 8 1 1 A 67 67 GLN CA C 67 55.400 57.620 -2.220 1
1 709 . 8 1 1 A 67 67 GLN CB C 67 28.300 27.120 1.180 1
1 711 . 8 1 1 A 68 68 ASN H H 68 7.880 8.076 -0.196 1
1 712 . 8 1 1 A 68 68 ASN HA H 68 4.430 4.967 -0.537 1
1 714 . 8 1 1 A 68 68 ASN CA C 68 53.300 52.526 0.774 1
1 715 . 8 1 1 A 68 68 ASN CB C 68 39.300 36.823 2.477 1
1 716 . 8 1 1 A 68 68 ASN N N 68 121.500 118.663 2.837 1
1 722 . 8 1 1 A 73 73 PHE HA H 73 4.190 4.720 -0.530 1
1 730 . 8 1 1 A 73 73 PHE CA C 73 61.300 58.399 2.901 1
1 731 . 8 1 1 A 73 73 PHE CB C 73 38.600 41.104 -2.504 1
1 735 . 8 1 1 A 74 74 GLU HA H 74 4.290 4.120 0.170 1
1 738 . 8 1 1 A 74 74 GLU CA C 74 56.800 59.030 -2.230 1
1 739 . 8 1 1 A 74 74 GLU CB C 74 29.900 29.087 0.813 1
1 741 . 8 1 1 A 75 75 THR HA H 75 4.180 4.263 -0.083 1
1 746 . 8 1 1 A 75 75 THR C C 75 174.100 173.471 0.629 1
1 747 . 8 1 1 A 75 75 THR CA C 75 60.700 62.132 -1.432 1
1 748 . 8 1 1 A 75 75 THR CB C 75 69.800 68.835 0.965 1
1 750 . 8 1 1 A 76 76 LYS HA H 76 3.880 4.751 -0.871 1
1 759 . 8 1 1 A 76 76 LYS CA C 76 55.900 54.903 0.997 1
1 760 . 8 1 1 A 76 76 LYS CB C 76 32.100 34.080 -1.980 1
1 764 . 8 1 1 A 77 77 ILE H H 77 9.060 8.752 0.308 1
1 765 . 8 1 1 A 77 77 ILE HA H 77 3.850 4.273 -0.423 1
1 775 . 8 1 1 A 77 77 ILE C C 77 175.900 175.427 0.473 1
1 776 . 8 1 1 A 77 77 ILE CA C 77 59.600 60.942 -1.342 1
1 777 . 8 1 1 A 77 77 ILE CB C 77 38.400 38.553 -0.153 1
1 781 . 8 1 1 A 77 77 ILE N N 77 126.900 128.181 -1.281 1
1 782 . 8 1 1 A 78 78 SER H H 78 8.730 8.899 -0.169 1
1 783 . 8 1 1 A 78 78 SER HA H 78 4.140 4.117 0.023 1
1 786 . 8 1 1 A 78 78 SER C C 78 176.200 176.541 -0.341 1
1 787 . 8 1 1 A 78 78 SER CA C 78 60.800 62.138 -1.338 1
1 788 . 8 1 1 A 78 78 SER CB C 78 61.200 63.211 -2.011 1
1 789 . 8 1 1 A 78 78 SER N N 78 119.000 120.995 -1.995 1
1 790 . 8 1 1 A 79 79 THR H H 79 8.050 7.891 0.159 1
1 791 . 8 1 1 A 79 79 THR HA H 79 4.580 4.028 0.552 1
1 796 . 8 1 1 A 79 79 THR C C 79 174.400 176.309 -1.909 1
1 797 . 8 1 1 A 79 79 THR CA C 79 62.200 65.444 -3.244 1
1 798 . 8 1 1 A 79 79 THR CB C 79 69.300 68.777 0.523 1
1 800 . 8 1 1 A 79 79 THR N N 79 114.300 115.547 -1.247 1
1 801 . 8 1 1 A 80 80 LEU H H 80 7.470 7.910 -0.440 1
1 802 . 8 1 1 A 80 80 LEU HA H 80 3.580 3.268 0.312 1
1 812 . 8 1 1 A 80 80 LEU C C 80 176.500 177.927 -1.427 1
1 813 . 8 1 1 A 80 80 LEU CA C 80 58.400 58.152 0.248 1
1 814 . 8 1 1 A 80 80 LEU CB C 80 41.800 41.436 0.364 1
1 818 . 8 1 1 A 80 80 LEU N N 80 123.200 122.035 1.165 1
1 819 . 8 1 1 A 81 81 ASP H H 81 8.450 7.689 0.761 1
1 820 . 8 1 1 A 81 81 ASP HA H 81 4.060 4.298 -0.238 1
1 823 . 8 1 1 A 81 81 ASP C C 81 178.700 178.533 0.167 1
1 824 . 8 1 1 A 81 81 ASP CA C 81 57.600 57.498 0.102 1
1 825 . 8 1 1 A 81 81 ASP CB C 81 39.500 41.645 -2.145 1
1 826 . 8 1 1 A 81 81 ASP N N 81 116.000 118.833 -2.833 1
1 827 . 8 1 1 A 82 82 GLU H H 82 7.800 7.839 -0.039 1
1 828 . 8 1 1 A 82 82 GLU HA H 82 4.030 3.967 0.063 1
1 833 . 8 1 1 A 82 82 GLU C C 82 178.500 178.620 -0.120 1
1 834 . 8 1 1 A 82 82 GLU CA C 82 59.100 59.694 -0.594 1
1 835 . 8 1 1 A 82 82 GLU CB C 82 29.300 29.387 -0.087 1
1 837 . 8 1 1 A 82 82 GLU N N 82 120.400 118.500 1.900 1
1 838 . 8 1 1 A 83 83 TYR H H 83 8.190 8.094 0.096 1
1 839 . 8 1 1 A 83 83 TYR HA H 83 4.410 4.400 0.010 1
1 846 . 8 1 1 A 83 83 TYR C C 83 176.700 177.250 -0.550 1
1 847 . 8 1 1 A 83 83 TYR CA C 83 60.900 61.505 -0.605 1
1 848 . 8 1 1 A 83 83 TYR CB C 83 37.600 38.968 -1.368 1
1 851 . 8 1 1 A 83 83 TYR N N 83 122.900 121.554 1.346 1
1 852 . 8 1 1 A 84 84 ILE H H 84 8.400 8.724 -0.324 1
1 853 . 8 1 1 A 84 84 ILE HA H 84 3.240 3.538 -0.298 1
1 863 . 8 1 1 A 84 84 ILE C C 84 178.000 177.706 0.294 1
1 864 . 8 1 1 A 84 84 ILE CA C 84 60.800 65.497 -4.697 1
1 865 . 8 1 1 A 84 84 ILE CB C 84 35.500 37.702 -2.202 1
1 869 . 8 1 1 A 84 84 ILE N N 84 119.100 120.662 -1.562 1
1 870 . 8 1 1 A 85 85 TYR H H 85 7.820 8.212 -0.392 1
1 871 . 8 1 1 A 85 85 TYR HA H 85 3.910 3.981 -0.071 1
1 878 . 8 1 1 A 85 85 TYR C C 85 176.800 177.848 -1.048 1
1 879 . 8 1 1 A 85 85 TYR CA C 85 60.700 61.065 -0.365 1
1 880 . 8 1 1 A 85 85 TYR CB C 85 37.900 38.745 -0.845 1
1 883 . 8 1 1 A 85 85 TYR N N 85 119.100 120.990 -1.890 1
1 884 . 8 1 1 A 86 86 GLU H H 86 7.660 8.331 -0.671 1
1 885 . 8 1 1 A 86 86 GLU HA H 86 3.690 3.837 -0.147 1
1 890 . 8 1 1 A 86 86 GLU C C 86 177.900 177.157 0.743 1
1 891 . 8 1 1 A 86 86 GLU CA C 86 58.200 58.595 -0.395 1
1 892 . 8 1 1 A 86 86 GLU CB C 86 29.500 29.159 0.341 1
1 894 . 8 1 1 A 86 86 GLU N N 86 116.700 117.986 -1.286 1
1 895 . 8 1 1 A 87 87 TYR H H 87 8.010 7.477 0.533 1
1 896 . 8 1 1 A 87 87 TYR HA H 87 4.090 4.553 -0.463 1
1 903 . 8 1 1 A 87 87 TYR C C 87 176.000 176.001 -0.001 1
1 904 . 8 1 1 A 87 87 TYR CA C 87 60.100 59.014 1.086 1
1 905 . 8 1 1 A 87 87 TYR CB C 87 37.300 39.996 -2.696 1
1 908 . 8 1 1 A 87 87 TYR N N 87 114.900 113.956 0.944 1
1 909 . 8 1 1 A 88 88 CYS H H 88 8.300 8.297 0.003 1
1 910 . 8 1 1 A 88 88 CYS HA H 88 4.760 4.973 -0.213 1
1 913 . 8 1 1 A 88 88 CYS CA C 88 53.500 55.243 -1.743 1
1 914 . 8 1 1 A 88 88 CYS CB C 88 42.000 43.219 -1.219 1
1 915 . 8 1 1 A 88 88 CYS N N 88 119.700 116.824 2.876 1
1 916 . 8 1 1 A 89 89 ASN C C 89 176.500 176.705 -0.205 1
1 917 . 8 1 1 A 90 90 PHE HA H 90 4.590 4.595 -0.005 1
1 925 . 8 1 1 A 90 90 PHE CA C 90 57.400 57.991 -0.591 1
1 926 . 8 1 1 A 90 90 PHE CB C 90 38.200 39.281 -1.081 1
1 930 . 8 1 1 A 92 92 CYS HA H 92 4.660 4.877 -0.217 1
1 933 . 8 1 1 A 92 92 CYS C C 92 172.000 173.938 -1.938 1
1 934 . 8 1 1 A 92 92 CYS CA C 92 55.000 57.124 -2.124 1
1 935 . 8 1 1 A 92 92 CYS CB C 92 47.400 43.381 4.019 1
1 936 . 8 1 1 A 93 93 ALA H H 93 8.670 7.396 1.274 1
1 937 . 8 1 1 A 93 93 ALA HA H 93 4.520 4.722 -0.202 1
1 941 . 8 1 1 A 93 93 ALA C C 93 177.400 175.639 1.761 1
1 942 . 8 1 1 A 93 93 ALA CA C 93 52.400 51.964 0.436 1
1 943 . 8 1 1 A 93 93 ALA CB C 93 19.800 21.753 -1.953 1
1 944 . 8 1 1 A 93 93 ALA N N 93 126.000 120.173 5.827 1
1 945 . 8 1 1 A 94 94 TYR H H 94 8.460 8.510 -0.050 1
1 946 . 8 1 1 A 94 94 TYR HA H 94 5.570 5.753 -0.183 1
1 953 . 8 1 1 A 94 94 TYR C C 94 171.500 173.481 -1.981 1
1 954 . 8 1 1 A 94 94 TYR CA C 94 57.200 56.588 0.612 1
1 955 . 8 1 1 A 94 94 TYR CB C 94 39.800 40.483 -0.683 1
1 958 . 8 1 1 A 94 94 TYR N N 94 116.200 117.150 -0.950 1
1 959 . 8 1 1 A 95 95 PHE H H 95 9.220 8.925 0.295 1
1 960 . 8 1 1 A 95 95 PHE HA H 95 5.280 5.841 -0.561 1
1 967 . 8 1 1 A 95 95 PHE C C 95 172.900 173.039 -0.139 1
1 968 . 8 1 1 A 95 95 PHE CA C 95 55.200 55.588 -0.388 1
1 969 . 8 1 1 A 95 95 PHE CB C 95 42.400 43.254 -0.854 1
1 972 . 8 1 1 A 95 95 PHE N N 95 114.100 117.586 -3.486 1
1 973 . 8 1 1 A 96 96 VAL H H 96 9.130 9.424 -0.294 1
1 974 . 8 1 1 A 96 96 VAL HA H 96 4.860 4.924 -0.064 1
1 982 . 8 1 1 A 96 96 VAL C C 96 174.800 174.449 0.351 1
1 983 . 8 1 1 A 96 96 VAL CA C 96 61.400 61.528 -0.128 1
1 984 . 8 1 1 A 96 96 VAL CB C 96 35.100 33.997 1.103 1
1 987 . 8 1 1 A 96 96 VAL N N 96 118.400 121.533 -3.133 1
1 988 . 8 1 1 A 97 97 LEU H H 97 9.610 9.556 0.054 1
1 989 . 8 1 1 A 97 97 LEU HA H 97 5.380 5.738 -0.358 1
1 999 . 8 1 1 A 97 97 LEU C C 97 175.700 175.371 0.329 1
1 1000 . 8 1 1 A 97 97 LEU CA C 97 52.100 53.073 -0.973 1
1 1001 . 8 1 1 A 97 97 LEU CB C 97 44.500 44.050 0.450 1
1 1005 . 8 1 1 A 97 97 LEU N N 97 126.100 127.128 -1.028 1
1 1006 . 8 1 1 A 98 98 LYS H H 98 9.660 9.225 0.435 1
1 1007 . 8 1 1 A 98 98 LYS HA H 98 4.740 5.148 -0.408 1
1 1016 . 8 1 1 A 98 98 LYS C C 98 175.500 176.018 -0.518 1
1 1017 . 8 1 1 A 98 98 LYS CA C 98 54.400 54.724 -0.324 1
1 1018 . 8 1 1 A 98 98 LYS CB C 98 37.500 35.485 2.015 1
1 1022 . 8 1 1 A 98 98 LYS N N 98 123.900 125.616 -1.716 1
1 1023 . 8 1 1 A 99 99 ARG H H 99 8.400 8.603 -0.203 1
1 1024 . 8 1 1 A 99 99 ARG HA H 99 4.040 4.760 -0.720 1
1 1031 . 8 1 1 A 99 99 ARG C C 99 174.800 176.303 -1.503 1
1 1032 . 8 1 1 A 99 99 ARG CA C 99 55.500 56.291 -0.791 1
1 1033 . 8 1 1 A 99 99 ARG CB C 99 30.000 30.768 -0.768 1
1 1036 . 8 1 1 A 99 99 ARG N N 99 128.700 128.455 0.245 1
1 1037 . 8 1 1 A 100 100 ILE H H 100 8.660 8.890 -0.230 1
1 1038 . 8 1 1 A 100 100 ILE HA H 100 4.150 4.314 -0.164 1
1 1048 . 8 1 1 A 100 100 ILE CA C 100 59.100 60.518 -1.418 1
1 1049 . 8 1 1 A 100 100 ILE CB C 100 36.300 38.127 -1.827 1
1 1053 . 8 1 1 A 100 100 ILE N N 100 130.500 127.056 3.444 1
1 1054 . 8 1 1 A 101 101 ARG C C 101 177.000 175.955 1.045 1
1 1055 . 8 1 1 A 102 102 LYS C C 102 178.900 174.976 3.924 1
1 1056 . 8 1 1 A 103 103 LEU HA H 103 4.230 4.685 -0.455 1
1 1066 . 8 1 1 A 103 103 LEU CA C 103 54.900 54.037 0.863 1
1 1067 . 8 1 1 A 103 103 LEU CB C 103 42.100 44.108 -2.008 1
1 1071 . 8 1 1 A 104 104 GLU HA H 104 4.010 4.402 -0.392 1
1 1075 . 8 1 1 A 104 104 GLU CA C 104 58.300 56.391 1.909 1
1 1076 . 8 1 1 A 104 104 GLU CB C 104 28.300 30.160 -1.860 1
1 1 . 9 1 1 A 10 10 GLU HA H 10 4.230 4.131 0.099 1
1 6 . 9 1 1 A 10 10 GLU C C 10 176.100 176.230 -0.130 1
1 7 . 9 1 1 A 10 10 GLU CA C 10 56.800 59.331 -2.531 1
1 8 . 9 1 1 A 10 10 GLU CB C 10 30.400 29.770 0.630 1
1 10 . 9 1 1 A 11 11 ILE H H 11 8.270 8.270 0.000 1
1 11 . 9 1 1 A 11 11 ILE HA H 11 4.100 4.331 -0.231 1
1 21 . 9 1 1 A 11 11 ILE C C 11 173.900 174.748 -0.848 1
1 22 . 9 1 1 A 11 11 ILE CA C 11 60.900 60.766 0.134 1
1 23 . 9 1 1 A 11 11 ILE CB C 11 38.300 39.331 -1.031 1
1 27 . 9 1 1 A 11 11 ILE N N 11 121.800 118.633 3.167 1
1 28 . 9 1 1 A 12 12 MET H H 12 8.150 8.906 -0.756 1
1 29 . 9 1 1 A 12 12 MET HA H 12 5.250 5.322 -0.072 1
1 37 . 9 1 1 A 12 12 MET C C 12 175.500 175.423 0.077 1
1 38 . 9 1 1 A 12 12 MET CA C 12 53.100 53.512 -0.412 1
1 39 . 9 1 1 A 12 12 MET CB C 12 33.600 34.642 -1.042 1
1 42 . 9 1 1 A 12 12 MET N N 12 125.200 125.913 -0.713 1
1 43 . 9 1 1 A 13 13 ILE H H 13 9.200 9.436 -0.236 1
1 44 . 9 1 1 A 13 13 ILE HA H 13 4.400 4.825 -0.425 1
1 54 . 9 1 1 A 13 13 ILE C C 13 173.500 174.609 -1.109 1
1 55 . 9 1 1 A 13 13 ILE CA C 13 59.600 60.343 -0.743 1
1 56 . 9 1 1 A 13 13 ILE CB C 13 40.500 40.017 0.483 1
1 60 . 9 1 1 A 13 13 ILE N N 13 123.700 123.234 0.466 1
1 61 . 9 1 1 A 14 14 LEU H H 14 8.550 9.220 -0.670 1
1 62 . 9 1 1 A 14 14 LEU HA H 14 5.200 5.236 -0.036 1
1 72 . 9 1 1 A 14 14 LEU C C 14 176.100 175.774 0.326 1
1 73 . 9 1 1 A 14 14 LEU CA C 14 53.700 53.526 0.174 1
1 74 . 9 1 1 A 14 14 LEU CB C 14 43.700 43.123 0.577 1
1 78 . 9 1 1 A 14 14 LEU N N 14 128.800 128.133 0.667 1
1 79 . 9 1 1 A 15 15 ILE H H 15 8.780 9.059 -0.279 1
1 80 . 9 1 1 A 15 15 ILE HA H 15 4.350 4.481 -0.131 1
1 90 . 9 1 1 A 15 15 ILE CA C 15 58.700 60.309 -1.609 1
1 91 . 9 1 1 A 15 15 ILE CB C 15 39.800 41.078 -1.278 1
1 95 . 9 1 1 A 15 15 ILE N N 15 123.000 124.004 -1.004 1
1 96 . 9 1 1 A 16 16 GLN HA H 16 3.710 4.124 -0.414 1
1 100 . 9 1 1 A 16 16 GLN CA C 16 57.700 57.492 0.208 1
1 101 . 9 1 1 A 16 16 GLN CB C 16 26.500 27.197 -0.697 1
1 103 . 9 1 1 A 17 17 ASN HA H 17 4.460 4.343 0.117 1
1 108 . 9 1 1 A 17 17 ASN C C 17 173.300 174.079 -0.779 1
1 109 . 9 1 1 A 17 17 ASN CA C 17 53.900 54.929 -1.029 1
1 110 . 9 1 1 A 17 17 ASN CB C 17 38.100 37.437 0.663 1
1 112 . 9 1 1 A 18 18 ALA H H 18 8.450 8.192 0.258 1
1 113 . 9 1 1 A 18 18 ALA HA H 18 4.250 4.579 -0.329 1
1 117 . 9 1 1 A 18 18 ALA C C 18 174.000 175.538 -1.538 1
1 118 . 9 1 1 A 18 18 ALA CA C 18 51.600 50.667 0.933 1
1 119 . 9 1 1 A 18 18 ALA CB C 18 20.500 20.733 -0.233 1
1 120 . 9 1 1 A 18 18 ALA N N 18 125.200 121.104 4.096 1
1 121 . 9 1 1 A 19 19 GLU H H 19 7.930 8.659 -0.729 1
1 122 . 9 1 1 A 19 19 GLU HA H 19 5.000 5.000 0.000 1
1 127 . 9 1 1 A 19 19 GLU C C 19 174.500 174.869 -0.369 1
1 128 . 9 1 1 A 19 19 GLU CA C 19 54.400 54.978 -0.578 1
1 129 . 9 1 1 A 19 19 GLU CB C 19 32.500 31.455 1.045 1
1 131 . 9 1 1 A 19 19 GLU N N 19 121.700 123.092 -1.392 1
1 132 . 9 1 1 A 20 20 PHE H H 20 9.110 9.315 -0.205 1
1 133 . 9 1 1 A 20 20 PHE HA H 20 5.340 5.568 -0.228 1
1 141 . 9 1 1 A 20 20 PHE C C 20 173.900 174.176 -0.276 1
1 142 . 9 1 1 A 20 20 PHE CA C 20 55.800 56.610 -0.810 1
1 143 . 9 1 1 A 20 20 PHE CB C 20 44.800 43.851 0.949 1
1 147 . 9 1 1 A 20 20 PHE N N 20 120.100 123.726 -3.626 1
1 148 . 9 1 1 A 21 21 GLU H H 21 9.200 8.507 0.693 1
1 149 . 9 1 1 A 21 21 GLU HA H 21 5.040 5.073 -0.033 1
1 154 . 9 1 1 A 21 21 GLU C C 21 176.200 174.679 1.521 1
1 155 . 9 1 1 A 21 21 GLU CA C 21 53.700 54.563 -0.863 1
1 156 . 9 1 1 A 21 21 GLU CB C 21 33.600 33.646 -0.046 1
1 158 . 9 1 1 A 21 21 GLU N N 21 120.800 118.864 1.936 1
1 159 . 9 1 1 A 22 22 LEU H H 22 8.590 8.590 0.000 1
1 160 . 9 1 1 A 22 22 LEU HA H 22 4.420 4.180 0.240 1
1 170 . 9 1 1 A 22 22 LEU C C 22 175.200 176.893 -1.693 1
1 171 . 9 1 1 A 22 22 LEU CA C 22 54.900 54.527 0.373 1
1 172 . 9 1 1 A 22 22 LEU CB C 22 41.000 41.479 -0.479 1
1 176 . 9 1 1 A 22 22 LEU N N 22 127.900 125.091 2.809 1
1 177 . 9 1 1 A 23 23 VAL H H 23 8.350 8.547 -0.197 1
1 178 . 9 1 1 A 23 23 VAL HA H 23 4.460 4.297 0.163 1
1 186 . 9 1 1 A 23 23 VAL C C 23 175.500 175.807 -0.307 1
1 187 . 9 1 1 A 23 23 VAL CA C 23 62.100 62.778 -0.678 1
1 188 . 9 1 1 A 23 23 VAL CB C 23 32.600 32.758 -0.158 1
1 191 . 9 1 1 A 23 23 VAL N N 23 122.700 121.811 0.889 1
1 192 . 9 1 1 A 24 24 HIS H H 24 7.590 7.346 0.244 1
1 193 . 9 1 1 A 24 24 HIS HA H 24 4.750 4.818 -0.068 1
1 197 . 9 1 1 A 24 24 HIS CA C 24 56.800 55.766 1.034 1
1 198 . 9 1 1 A 24 24 HIS CB C 24 34.800 32.922 1.878 1
1 200 . 9 1 1 A 24 24 HIS N N 24 118.300 120.838 -2.538 1
1 201 . 9 1 1 A 25 25 ASN HA H 25 5.070 5.410 -0.340 1
1 206 . 9 1 1 A 25 25 ASN C C 25 172.500 173.260 -0.760 1
1 207 . 9 1 1 A 25 25 ASN CA C 25 52.000 52.444 -0.444 1
1 208 . 9 1 1 A 25 25 ASN CB C 25 40.400 42.043 -1.643 1
1 210 . 9 1 1 A 26 26 PHE H H 26 9.000 9.034 -0.034 1
1 211 . 9 1 1 A 26 26 PHE HA H 26 4.540 4.835 -0.295 1
1 219 . 9 1 1 A 26 26 PHE C C 26 174.500 174.979 -0.479 1
1 220 . 9 1 1 A 26 26 PHE CA C 26 57.100 57.340 -0.240 1
1 221 . 9 1 1 A 26 26 PHE CB C 26 40.900 41.764 -0.864 1
1 225 . 9 1 1 A 26 26 PHE N N 26 128.200 127.238 0.962 1
1 226 . 9 1 1 A 27 27 LYS H H 27 8.700 9.325 -0.625 1
1 227 . 9 1 1 A 27 27 LYS HA H 27 3.290 3.672 -0.382 1
1 236 . 9 1 1 A 27 27 LYS C C 27 174.500 175.489 -0.989 1
1 237 . 9 1 1 A 27 27 LYS CA C 27 56.800 57.151 -0.351 1
1 238 . 9 1 1 A 27 27 LYS CB C 27 29.500 29.776 -0.276 1
1 242 . 9 1 1 A 27 27 LYS N N 27 126.000 127.330 -1.330 1
1 243 . 9 1 1 A 28 28 ASP H H 28 8.560 8.490 0.070 1
1 244 . 9 1 1 A 28 28 ASP HA H 28 4.080 4.329 -0.249 1
1 247 . 9 1 1 A 28 28 ASP C C 28 174.700 177.033 -2.333 1
1 248 . 9 1 1 A 28 28 ASP CA C 28 54.800 55.687 -0.887 1
1 249 . 9 1 1 A 28 28 ASP CB C 28 39.100 39.060 0.040 1
1 250 . 9 1 1 A 28 28 ASP N N 28 112.300 111.355 0.945 1
1 251 . 9 1 1 A 29 29 GLY H H 29 7.160 7.970 -0.810 1
1 252 . 9 1 1 A 29 29 GLY HA2 H 29 3.490 3.884 -0.394 1
1 253 . 9 1 1 A 29 29 GLY HA3 H 29 3.780 4.107 -0.327 1
1 254 . 9 1 1 A 29 29 GLY C C 29 174.800 174.583 0.217 1
1 255 . 9 1 1 A 29 29 GLY CA C 29 47.600 46.051 1.549 1
1 256 . 9 1 1 A 29 29 GLY N N 29 101.900 105.880 -3.980 1
1 257 . 9 1 1 A 30 30 PHE H H 30 9.400 7.566 1.834 1
1 258 . 9 1 1 A 30 30 PHE HA H 30 3.380 4.131 -0.751 1
1 266 . 9 1 1 A 30 30 PHE CA C 30 60.700 56.445 4.255 1
1 267 . 9 1 1 A 30 30 PHE CB C 30 37.700 38.353 -0.653 1
1 271 . 9 1 1 A 30 30 PHE N N 30 120.800 121.690 -0.890 1
1 272 . 9 1 1 A 31 31 ASN H H 31 5.090 8.403 -3.313 1
1 273 . 9 1 1 A 31 31 ASN HA H 31 4.220 4.687 -0.467 1
1 276 . 9 1 1 A 31 31 ASN CA C 31 52.400 51.312 1.088 1
1 277 . 9 1 1 A 31 31 ASN CB C 31 41.100 38.399 2.701 1
1 278 . 9 1 1 A 31 31 ASN N N 31 125.400 126.677 -1.277 1
1 279 . 9 1 1 A 32 32 GLU HA H 32 3.290 3.176 0.114 1
1 284 . 9 1 1 A 32 32 GLU C C 32 176.900 178.025 -1.125 1
1 285 . 9 1 1 A 32 32 GLU CA C 32 60.600 59.857 0.743 1
1 286 . 9 1 1 A 32 32 GLU CB C 32 29.500 29.256 0.244 1
1 288 . 9 1 1 A 33 33 GLU H H 33 8.320 8.207 0.113 1
1 289 . 9 1 1 A 33 33 GLU HA H 33 3.880 4.037 -0.157 1
1 294 . 9 1 1 A 33 33 GLU C C 33 179.300 178.994 0.306 1
1 295 . 9 1 1 A 33 33 GLU CA C 33 59.600 59.426 0.174 1
1 296 . 9 1 1 A 33 33 GLU CB C 33 28.700 29.292 -0.592 1
1 298 . 9 1 1 A 33 33 GLU N N 33 119.000 117.592 1.408 1
1 299 . 9 1 1 A 34 34 ALA H H 34 8.330 7.776 0.554 1
1 300 . 9 1 1 A 34 34 ALA HA H 34 4.130 4.103 0.027 1
1 304 . 9 1 1 A 34 34 ALA C C 34 179.600 179.437 0.163 1
1 305 . 9 1 1 A 34 34 ALA CA C 34 54.400 54.972 -0.572 1
1 306 . 9 1 1 A 34 34 ALA CB C 34 18.400 18.258 0.142 1
1 307 . 9 1 1 A 34 34 ALA N N 34 122.200 122.013 0.187 1
1 308 . 9 1 1 A 35 35 PHE H H 35 8.040 8.266 -0.226 1
1 309 . 9 1 1 A 35 35 PHE HA H 35 4.020 4.130 -0.110 1
1 317 . 9 1 1 A 35 35 PHE C C 35 176.100 177.690 -1.590 1
1 318 . 9 1 1 A 35 35 PHE CA C 35 61.000 61.390 -0.390 1
1 319 . 9 1 1 A 35 35 PHE CB C 35 39.000 39.460 -0.460 1
1 323 . 9 1 1 A 35 35 PHE N N 35 117.100 119.817 -2.717 1
1 324 . 9 1 1 A 36 36 LYS H H 36 8.490 8.430 0.060 1
1 325 . 9 1 1 A 36 36 LYS HA H 36 3.320 3.998 -0.678 1
1 334 . 9 1 1 A 36 36 LYS C C 36 178.000 177.707 0.293 1
1 335 . 9 1 1 A 36 36 LYS CA C 36 59.800 58.728 1.072 1
1 336 . 9 1 1 A 36 36 LYS CB C 36 32.100 31.503 0.597 1
1 340 . 9 1 1 A 36 36 LYS N N 36 118.100 118.394 -0.294 1
1 341 . 9 1 1 A 37 37 ALA H H 37 7.450 7.677 -0.227 1
1 342 . 9 1 1 A 37 37 ALA HA H 37 4.130 4.186 -0.056 1
1 346 . 9 1 1 A 37 37 ALA C C 37 178.500 178.063 0.437 1
1 347 . 9 1 1 A 37 37 ALA CA C 37 53.600 53.722 -0.122 1
1 348 . 9 1 1 A 37 37 ALA CB C 37 18.500 18.616 -0.116 1
1 349 . 9 1 1 A 37 37 ALA N N 37 117.700 121.252 -3.552 1
1 350 . 9 1 1 A 38 38 ARG H H 38 7.160 7.576 -0.416 1
1 351 . 9 1 1 A 38 38 ARG HA H 38 4.340 4.398 -0.058 1
1 358 . 9 1 1 A 38 38 ARG C C 38 175.400 175.473 -0.073 1
1 359 . 9 1 1 A 38 38 ARG CA C 38 54.200 55.589 -1.389 1
1 360 . 9 1 1 A 38 38 ARG CB C 38 31.400 32.064 -0.664 1
1 363 . 9 1 1 A 38 38 ARG N N 38 114.800 115.674 -0.874 1
1 364 . 9 1 1 A 39 39 TYR H H 39 7.510 7.506 0.004 1
1 365 . 9 1 1 A 39 39 TYR HA H 39 3.350 4.181 -0.831 1
1 372 . 9 1 1 A 39 39 TYR C C 39 173.700 175.017 -1.317 1
1 373 . 9 1 1 A 39 39 TYR CA C 39 60.800 59.309 1.491 1
1 374 . 9 1 1 A 39 39 TYR CB C 39 38.000 38.896 -0.896 1
1 377 . 9 1 1 A 39 39 TYR N N 39 122.600 122.649 -0.049 1
1 378 . 9 1 1 A 40 40 SER H H 40 5.730 7.557 -1.827 1
1 379 . 9 1 1 A 40 40 SER HA H 40 4.470 4.841 -0.371 1
1 382 . 9 1 1 A 40 40 SER CA C 40 56.100 55.902 0.198 1
1 383 . 9 1 1 A 40 40 SER CB C 40 65.100 65.082 0.018 1
1 384 . 9 1 1 A 40 40 SER N N 40 119.100 121.104 -2.004 1
1 385 . 9 1 1 A 41 41 ASP HA H 41 4.210 4.249 -0.039 1
1 388 . 9 1 1 A 41 41 ASP CA C 41 56.700 57.874 -1.174 1
1 389 . 9 1 1 A 41 41 ASP CB C 41 40.500 41.162 -0.662 1
1 390 . 9 1 1 A 42 42 ILE HA H 42 4.030 3.822 0.208 1
1 400 . 9 1 1 A 42 42 ILE C C 42 176.600 177.840 -1.240 1
1 401 . 9 1 1 A 42 42 ILE CA C 42 63.200 63.500 -0.300 1
1 402 . 9 1 1 A 42 42 ILE CB C 42 37.600 37.627 -0.027 1
1 406 . 9 1 1 A 43 43 LEU H H 43 7.700 7.617 0.083 1
1 407 . 9 1 1 A 43 43 LEU HA H 43 4.560 4.281 0.279 1
1 417 . 9 1 1 A 43 43 LEU C C 43 178.000 179.420 -1.420 1
1 418 . 9 1 1 A 43 43 LEU CA C 43 54.700 57.665 -2.965 1
1 419 . 9 1 1 A 43 43 LEU CB C 43 40.800 40.677 0.123 1
1 423 . 9 1 1 A 43 43 LEU N N 43 117.500 120.928 -3.428 1
1 424 . 9 1 1 A 44 44 ASN H H 44 7.870 8.579 -0.709 1
1 425 . 9 1 1 A 44 44 ASN HA H 44 4.480 4.910 -0.430 1
1 428 . 9 1 1 A 44 44 ASN CA C 44 55.300 56.073 -0.773 1
1 429 . 9 1 1 A 44 44 ASN CB C 44 38.200 39.327 -1.127 1
1 430 . 9 1 1 A 44 44 ASN N N 44 118.400 118.279 0.121 1
1 431 . 9 1 1 A 45 45 LYS HA H 45 4.200 4.090 0.110 1
1 440 . 9 1 1 A 45 45 LYS C C 45 176.200 178.344 -2.144 1
1 441 . 9 1 1 A 45 45 LYS CA C 45 56.500 58.930 -2.430 1
1 442 . 9 1 1 A 45 45 LYS CB C 45 32.000 32.097 -0.097 1
1 446 . 9 1 1 A 46 46 TYR H H 46 6.770 7.577 -0.807 1
1 447 . 9 1 1 A 46 46 TYR HA H 46 3.900 4.337 -0.437 1
1 454 . 9 1 1 A 46 46 TYR C C 46 175.500 175.443 0.057 1
1 455 . 9 1 1 A 46 46 TYR CA C 46 59.200 59.535 -0.335 1
1 456 . 9 1 1 A 46 46 TYR CB C 46 38.700 38.836 -0.136 1
1 459 . 9 1 1 A 46 46 TYR N N 46 117.400 116.378 1.022 1
1 460 . 9 1 1 A 47 47 ASP H H 47 7.540 8.172 -0.632 1
1 461 . 9 1 1 A 47 47 ASP HA H 47 4.880 4.441 0.439 1
1 464 . 9 1 1 A 47 47 ASP C C 47 175.100 174.407 0.693 1
1 465 . 9 1 1 A 47 47 ASP CA C 47 56.100 55.768 0.332 1
1 466 . 9 1 1 A 47 47 ASP CB C 47 43.100 39.610 3.490 1
1 467 . 9 1 1 A 47 47 ASP N N 47 118.300 117.215 1.085 1
1 468 . 9 1 1 A 48 48 TYR H H 48 8.640 8.184 0.456 1
1 469 . 9 1 1 A 48 48 TYR HA H 48 5.670 5.579 0.091 1
1 476 . 9 1 1 A 48 48 TYR C C 48 174.700 174.935 -0.235 1
1 477 . 9 1 1 A 48 48 TYR CA C 48 55.900 56.828 -0.928 1
1 478 . 9 1 1 A 48 48 TYR CB C 48 43.500 41.902 1.598 1
1 481 . 9 1 1 A 48 48 TYR N N 48 116.700 118.435 -1.735 1
1 482 . 9 1 1 A 49 49 ILE H H 49 9.130 9.367 -0.237 1
1 483 . 9 1 1 A 49 49 ILE HA H 49 4.660 4.940 -0.280 1
1 493 . 9 1 1 A 49 49 ILE C C 49 173.900 174.976 -1.076 1
1 494 . 9 1 1 A 49 49 ILE CA C 49 59.400 60.228 -0.828 1
1 495 . 9 1 1 A 49 49 ILE CB C 49 40.700 40.417 0.283 1
1 499 . 9 1 1 A 49 49 ILE N N 49 119.500 124.130 -4.630 1
1 500 . 9 1 1 A 50 50 VAL H H 50 9.220 9.252 -0.032 1
1 501 . 9 1 1 A 50 50 VAL HA H 50 4.860 5.017 -0.157 1
1 509 . 9 1 1 A 50 50 VAL C C 50 175.200 175.115 0.085 1
1 510 . 9 1 1 A 50 50 VAL CA C 50 60.100 60.849 -0.749 1
1 511 . 9 1 1 A 50 50 VAL CB C 50 33.400 33.551 -0.151 1
1 514 . 9 1 1 A 50 50 VAL N N 50 128.600 129.031 -0.431 1
1 515 . 9 1 1 A 51 51 GLY H H 51 7.860 8.613 -0.753 1
1 516 . 9 1 1 A 51 51 GLY HA2 H 51 5.420 3.293 2.127 1
1 517 . 9 1 1 A 51 51 GLY HA3 H 51 2.080 3.946 -1.866 1
1 518 . 9 1 1 A 51 51 GLY C C 51 170.700 171.674 -0.974 1
1 519 . 9 1 1 A 51 51 GLY CA C 51 43.600 44.198 -0.598 1
1 520 . 9 1 1 A 51 51 GLY N N 51 116.100 114.971 1.129 1
1 521 . 9 1 1 A 52 52 ASP H H 52 8.940 8.774 0.166 1
1 522 . 9 1 1 A 52 52 ASP HA H 52 5.540 5.164 0.376 1
1 525 . 9 1 1 A 52 52 ASP C C 52 174.200 175.893 -1.693 1
1 526 . 9 1 1 A 52 52 ASP CA C 52 53.000 53.444 -0.444 1
1 527 . 9 1 1 A 52 52 ASP CB C 52 47.100 42.965 4.135 1
1 528 . 9 1 1 A 52 52 ASP N N 52 121.200 124.838 -3.638 1
1 529 . 9 1 1 A 53 53 TRP H H 53 7.980 9.091 -1.111 1
1 530 . 9 1 1 A 53 53 TRP HA H 53 4.950 4.483 0.467 1
1 539 . 9 1 1 A 53 53 TRP C C 53 178.500 177.306 1.194 1
1 540 . 9 1 1 A 53 53 TRP CA C 53 56.200 59.893 -3.693 1
1 541 . 9 1 1 A 53 53 TRP CB C 53 28.500 29.728 -1.228 1
1 547 . 9 1 1 A 53 53 TRP N N 53 119.900 123.238 -3.338 1
1 549 . 9 1 1 A 54 54 GLY H H 54 10.320 8.337 1.983 1
1 550 . 9 1 1 A 54 54 GLY HA2 H 54 4.020 3.946 0.074 1
1 551 . 9 1 1 A 54 54 GLY HA3 H 54 4.020 3.959 0.061 1
1 552 . 9 1 1 A 54 54 GLY CA C 54 48.600 47.465 1.135 1
1 553 . 9 1 1 A 54 54 GLY N N 54 115.400 108.634 6.766 1
1 554 . 9 1 1 A 55 55 TYR HA H 55 4.890 4.605 0.285 1
1 561 . 9 1 1 A 55 55 TYR CA C 55 56.800 59.943 -3.143 1
1 562 . 9 1 1 A 55 55 TYR CB C 55 38.100 39.908 -1.808 1
1 565 . 9 1 1 A 56 56 GLY HA2 H 56 3.850 4.146 -0.296 1
1 566 . 9 1 1 A 56 56 GLY HA3 H 56 4.360 4.254 0.106 1
1 567 . 9 1 1 A 56 56 GLY C C 56 173.100 174.881 -1.781 1
1 568 . 9 1 1 A 56 56 GLY CA C 56 45.600 45.653 -0.053 1
1 569 . 9 1 1 A 57 57 GLN H H 57 7.380 7.970 -0.590 1
1 570 . 9 1 1 A 57 57 GLN HA H 57 4.660 4.359 0.301 1
1 576 . 9 1 1 A 57 57 GLN C C 57 173.800 175.211 -1.411 1
1 577 . 9 1 1 A 57 57 GLN CA C 57 53.400 55.261 -1.861 1
1 578 . 9 1 1 A 57 57 GLN CB C 57 31.600 28.487 3.113 1
1 580 . 9 1 1 A 57 57 GLN N N 57 116.300 120.906 -4.606 1
1 582 . 9 1 1 A 58 58 LEU H H 58 8.100 8.618 -0.518 1
1 583 . 9 1 1 A 58 58 LEU HA H 58 3.250 4.320 -1.070 1
1 593 . 9 1 1 A 58 58 LEU C C 58 174.200 174.888 -0.688 1
1 594 . 9 1 1 A 58 58 LEU CA C 58 55.500 55.429 0.071 1
1 595 . 9 1 1 A 58 58 LEU CB C 58 39.900 41.485 -1.585 1
1 599 . 9 1 1 A 58 58 LEU N N 58 124.400 128.167 -3.767 1
1 600 . 9 1 1 A 59 59 ARG H H 59 8.360 8.778 -0.418 1
1 601 . 9 1 1 A 59 59 ARG HA H 59 4.470 5.070 -0.600 1
1 608 . 9 1 1 A 59 59 ARG C C 59 174.000 174.606 -0.606 1
1 609 . 9 1 1 A 59 59 ARG CA C 59 54.200 54.100 0.100 1
1 610 . 9 1 1 A 59 59 ARG CB C 59 33.000 33.769 -0.769 1
1 613 . 9 1 1 A 59 59 ARG N N 59 130.500 125.671 4.829 1
1 614 . 9 1 1 A 60 60 LEU H H 60 8.480 8.924 -0.444 1
1 615 . 9 1 1 A 60 60 LEU HA H 60 5.260 4.884 0.376 1
1 625 . 9 1 1 A 60 60 LEU C C 60 176.000 175.325 0.675 1
1 626 . 9 1 1 A 60 60 LEU CA C 60 52.500 53.700 -1.200 1
1 627 . 9 1 1 A 60 60 LEU CB C 60 44.200 42.672 1.528 1
1 631 . 9 1 1 A 60 60 LEU N N 60 122.400 124.023 -1.623 1
1 632 . 9 1 1 A 61 61 LYS H H 61 8.900 9.238 -0.338 1
1 633 . 9 1 1 A 61 61 LYS HA H 61 4.160 4.818 -0.658 1
1 642 . 9 1 1 A 61 61 LYS C C 61 174.200 175.651 -1.451 1
1 643 . 9 1 1 A 61 61 LYS CA C 61 54.800 53.956 0.844 1
1 644 . 9 1 1 A 61 61 LYS CB C 61 36.600 35.459 1.141 1
1 648 . 9 1 1 A 61 61 LYS N N 61 123.800 125.483 -1.683 1
1 649 . 9 1 1 A 62 62 GLY H H 62 8.140 8.404 -0.264 1
1 650 . 9 1 1 A 62 62 GLY HA2 H 62 4.160 2.735 1.425 1
1 651 . 9 1 1 A 62 62 GLY HA3 H 62 4.160 3.727 0.433 1
1 652 . 9 1 1 A 62 62 GLY C C 62 172.000 172.197 -0.197 1
1 653 . 9 1 1 A 62 62 GLY CA C 62 43.000 43.929 -0.929 1
1 654 . 9 1 1 A 62 62 GLY N N 62 114.000 112.353 1.647 1
1 655 . 9 1 1 A 63 63 PHE H H 63 8.500 8.497 0.003 1
1 656 . 9 1 1 A 63 63 PHE HA H 63 4.800 5.058 -0.258 1
1 664 . 9 1 1 A 63 63 PHE C C 63 175.400 174.336 1.064 1
1 665 . 9 1 1 A 63 63 PHE CA C 63 55.800 56.340 -0.540 1
1 666 . 9 1 1 A 63 63 PHE CB C 63 46.200 43.571 2.629 1
1 670 . 9 1 1 A 63 63 PHE N N 63 118.600 120.894 -2.294 1
1 671 . 9 1 1 A 64 64 PHE H H 64 9.930 9.012 0.918 1
1 672 . 9 1 1 A 64 64 PHE HA H 64 5.460 5.254 0.206 1
1 679 . 9 1 1 A 64 64 PHE C C 64 175.600 175.024 0.576 1
1 680 . 9 1 1 A 64 64 PHE CA C 64 57.500 57.413 0.087 1
1 681 . 9 1 1 A 64 64 PHE CB C 64 43.100 41.857 1.243 1
1 684 . 9 1 1 A 64 64 PHE N N 64 120.100 119.369 0.731 1
1 685 . 9 1 1 A 65 65 ASP H H 65 10.950 8.821 2.129 1
1 686 . 9 1 1 A 65 65 ASP HA H 65 4.860 4.208 0.652 1
1 689 . 9 1 1 A 65 65 ASP C C 65 177.400 177.548 -0.148 1
1 690 . 9 1 1 A 65 65 ASP CA C 65 56.400 54.481 1.919 1
1 691 . 9 1 1 A 65 65 ASP CB C 65 42.800 41.626 1.174 1
1 692 . 9 1 1 A 65 65 ASP N N 65 123.200 122.137 1.063 1
1 693 . 9 1 1 A 66 66 ASP H H 66 8.470 9.162 -0.692 1
1 694 . 9 1 1 A 66 66 ASP HA H 66 4.110 4.774 -0.664 1
1 697 . 9 1 1 A 66 66 ASP C C 66 175.300 177.257 -1.957 1
1 698 . 9 1 1 A 66 66 ASP CA C 66 57.800 54.565 3.235 1
1 699 . 9 1 1 A 66 66 ASP CB C 66 42.000 41.205 0.795 1
1 700 . 9 1 1 A 66 66 ASP N N 66 122.800 128.056 -5.256 1
1 701 . 9 1 1 A 67 67 GLN H H 67 8.500 7.831 0.669 1
1 702 . 9 1 1 A 67 67 GLN HA H 67 4.250 4.446 -0.196 1
1 707 . 9 1 1 A 67 67 GLN C C 67 175.900 176.050 -0.150 1
1 708 . 9 1 1 A 67 67 GLN CA C 67 55.400 56.742 -1.342 1
1 709 . 9 1 1 A 67 67 GLN CB C 67 28.300 30.184 -1.884 1
1 711 . 9 1 1 A 68 68 ASN H H 68 7.880 8.275 -0.395 1
1 712 . 9 1 1 A 68 68 ASN HA H 68 4.430 4.326 0.104 1
1 714 . 9 1 1 A 68 68 ASN CA C 68 53.300 54.571 -1.271 1
1 715 . 9 1 1 A 68 68 ASN CB C 68 39.300 36.985 2.315 1
1 716 . 9 1 1 A 68 68 ASN N N 68 121.500 115.103 6.397 1
1 722 . 9 1 1 A 73 73 PHE HA H 73 4.190 5.172 -0.982 1
1 730 . 9 1 1 A 73 73 PHE CA C 73 61.300 56.364 4.936 1
1 731 . 9 1 1 A 73 73 PHE CB C 73 38.600 41.493 -2.893 1
1 735 . 9 1 1 A 74 74 GLU HA H 74 4.290 4.826 -0.536 1
1 738 . 9 1 1 A 74 74 GLU CA C 74 56.800 55.778 1.022 1
1 739 . 9 1 1 A 74 74 GLU CB C 74 29.900 30.567 -0.667 1
1 741 . 9 1 1 A 75 75 THR HA H 75 4.180 5.238 -1.058 1
1 746 . 9 1 1 A 75 75 THR C C 75 174.100 173.806 0.294 1
1 747 . 9 1 1 A 75 75 THR CA C 75 60.700 61.126 -0.426 1
1 748 . 9 1 1 A 75 75 THR CB C 75 69.800 70.289 -0.489 1
1 750 . 9 1 1 A 76 76 LYS HA H 76 3.880 4.891 -1.011 1
1 759 . 9 1 1 A 76 76 LYS CA C 76 55.900 55.037 0.863 1
1 760 . 9 1 1 A 76 76 LYS CB C 76 32.100 34.192 -2.092 1
1 764 . 9 1 1 A 77 77 ILE H H 77 9.060 8.739 0.321 1
1 765 . 9 1 1 A 77 77 ILE HA H 77 3.850 4.061 -0.211 1
1 775 . 9 1 1 A 77 77 ILE C C 77 175.900 175.549 0.351 1
1 776 . 9 1 1 A 77 77 ILE CA C 77 59.600 61.860 -2.260 1
1 777 . 9 1 1 A 77 77 ILE CB C 77 38.400 37.614 0.786 1
1 781 . 9 1 1 A 77 77 ILE N N 77 126.900 128.365 -1.465 1
1 782 . 9 1 1 A 78 78 SER H H 78 8.730 8.826 -0.096 1
1 783 . 9 1 1 A 78 78 SER HA H 78 4.140 4.035 0.105 1
1 786 . 9 1 1 A 78 78 SER C C 78 176.200 176.453 -0.253 1
1 787 . 9 1 1 A 78 78 SER CA C 78 60.800 62.255 -1.455 1
1 788 . 9 1 1 A 78 78 SER CB C 78 61.200 63.047 -1.847 1
1 789 . 9 1 1 A 78 78 SER N N 78 119.000 121.065 -2.065 1
1 790 . 9 1 1 A 79 79 THR H H 79 8.050 7.995 0.055 1
1 791 . 9 1 1 A 79 79 THR HA H 79 4.580 3.995 0.585 1
1 796 . 9 1 1 A 79 79 THR C C 79 174.400 176.192 -1.792 1
1 797 . 9 1 1 A 79 79 THR CA C 79 62.200 65.211 -3.011 1
1 798 . 9 1 1 A 79 79 THR CB C 79 69.300 68.630 0.670 1
1 800 . 9 1 1 A 79 79 THR N N 79 114.300 114.882 -0.582 1
1 801 . 9 1 1 A 80 80 LEU H H 80 7.470 7.870 -0.400 1
1 802 . 9 1 1 A 80 80 LEU HA H 80 3.580 3.641 -0.061 1
1 812 . 9 1 1 A 80 80 LEU C C 80 176.500 178.023 -1.523 1
1 813 . 9 1 1 A 80 80 LEU CA C 80 58.400 58.087 0.313 1
1 814 . 9 1 1 A 80 80 LEU CB C 80 41.800 41.322 0.478 1
1 818 . 9 1 1 A 80 80 LEU N N 80 123.200 122.024 1.176 1
1 819 . 9 1 1 A 81 81 ASP H H 81 8.450 8.114 0.336 1
1 820 . 9 1 1 A 81 81 ASP HA H 81 4.060 4.128 -0.068 1
1 823 . 9 1 1 A 81 81 ASP C C 81 178.700 178.734 -0.034 1
1 824 . 9 1 1 A 81 81 ASP CA C 81 57.600 57.889 -0.289 1
1 825 . 9 1 1 A 81 81 ASP CB C 81 39.500 41.843 -2.343 1
1 826 . 9 1 1 A 81 81 ASP N N 81 116.000 119.270 -3.270 1
1 827 . 9 1 1 A 82 82 GLU H H 82 7.800 8.232 -0.432 1
1 828 . 9 1 1 A 82 82 GLU HA H 82 4.030 4.083 -0.053 1
1 833 . 9 1 1 A 82 82 GLU C C 82 178.500 178.346 0.154 1
1 834 . 9 1 1 A 82 82 GLU CA C 82 59.100 58.709 0.391 1
1 835 . 9 1 1 A 82 82 GLU CB C 82 29.300 29.522 -0.222 1
1 837 . 9 1 1 A 82 82 GLU N N 82 120.400 118.837 1.563 1
1 838 . 9 1 1 A 83 83 TYR H H 83 8.190 8.093 0.097 1
1 839 . 9 1 1 A 83 83 TYR HA H 83 4.410 4.319 0.091 1
1 846 . 9 1 1 A 83 83 TYR C C 83 176.700 177.274 -0.574 1
1 847 . 9 1 1 A 83 83 TYR CA C 83 60.900 61.521 -0.621 1
1 848 . 9 1 1 A 83 83 TYR CB C 83 37.600 38.549 -0.949 1
1 851 . 9 1 1 A 83 83 TYR N N 83 122.900 122.746 0.154 1
1 852 . 9 1 1 A 84 84 ILE H H 84 8.400 8.731 -0.331 1
1 853 . 9 1 1 A 84 84 ILE HA H 84 3.240 3.286 -0.046 1
1 863 . 9 1 1 A 84 84 ILE C C 84 178.000 177.585 0.415 1
1 864 . 9 1 1 A 84 84 ILE CA C 84 60.800 65.139 -4.339 1
1 865 . 9 1 1 A 84 84 ILE CB C 84 35.500 37.517 -2.017 1
1 869 . 9 1 1 A 84 84 ILE N N 84 119.100 120.840 -1.740 1
1 870 . 9 1 1 A 85 85 TYR H H 85 7.820 8.085 -0.265 1
1 871 . 9 1 1 A 85 85 TYR HA H 85 3.910 3.943 -0.033 1
1 878 . 9 1 1 A 85 85 TYR C C 85 176.800 177.370 -0.570 1
1 879 . 9 1 1 A 85 85 TYR CA C 85 60.700 62.084 -1.384 1
1 880 . 9 1 1 A 85 85 TYR CB C 85 37.900 38.689 -0.789 1
1 883 . 9 1 1 A 85 85 TYR N N 85 119.100 121.460 -2.360 1
1 884 . 9 1 1 A 86 86 GLU H H 86 7.660 7.982 -0.322 1
1 885 . 9 1 1 A 86 86 GLU HA H 86 3.690 3.604 0.086 1
1 890 . 9 1 1 A 86 86 GLU C C 86 177.900 175.986 1.914 1
1 891 . 9 1 1 A 86 86 GLU CA C 86 58.200 58.660 -0.460 1
1 892 . 9 1 1 A 86 86 GLU CB C 86 29.500 29.070 0.430 1
1 894 . 9 1 1 A 86 86 GLU N N 86 116.700 117.922 -1.222 1
1 895 . 9 1 1 A 87 87 TYR H H 87 8.010 7.578 0.432 1
1 896 . 9 1 1 A 87 87 TYR HA H 87 4.090 4.598 -0.508 1
1 903 . 9 1 1 A 87 87 TYR C C 87 176.000 175.914 0.086 1
1 904 . 9 1 1 A 87 87 TYR CA C 87 60.100 58.839 1.261 1
1 905 . 9 1 1 A 87 87 TYR CB C 87 37.300 39.339 -2.039 1
1 908 . 9 1 1 A 87 87 TYR N N 87 114.900 114.906 -0.006 1
1 909 . 9 1 1 A 88 88 CYS H H 88 8.300 7.900 0.400 1
1 910 . 9 1 1 A 88 88 CYS HA H 88 4.760 4.924 -0.164 1
1 913 . 9 1 1 A 88 88 CYS CA C 88 53.500 55.019 -1.519 1
1 914 . 9 1 1 A 88 88 CYS CB C 88 42.000 41.556 0.444 1
1 915 . 9 1 1 A 88 88 CYS N N 88 119.700 117.479 2.221 1
1 916 . 9 1 1 A 89 89 ASN C C 89 176.500 175.243 1.257 1
1 917 . 9 1 1 A 90 90 PHE HA H 90 4.590 5.046 -0.456 1
1 925 . 9 1 1 A 90 90 PHE CA C 90 57.400 57.785 -0.385 1
1 926 . 9 1 1 A 90 90 PHE CB C 90 38.200 42.314 -4.114 1
1 930 . 9 1 1 A 92 92 CYS HA H 92 4.660 4.989 -0.329 1
1 933 . 9 1 1 A 92 92 CYS C C 92 172.000 171.775 0.225 1
1 934 . 9 1 1 A 92 92 CYS CA C 92 55.000 55.013 -0.013 1
1 935 . 9 1 1 A 92 92 CYS CB C 92 47.400 45.292 2.108 1
1 936 . 9 1 1 A 93 93 ALA H H 93 8.670 8.912 -0.242 1
1 937 . 9 1 1 A 93 93 ALA HA H 93 4.520 5.679 -1.159 1
1 941 . 9 1 1 A 93 93 ALA C C 93 177.400 175.715 1.685 1
1 942 . 9 1 1 A 93 93 ALA CA C 93 52.400 50.710 1.690 1
1 943 . 9 1 1 A 93 93 ALA CB C 93 19.800 23.619 -3.819 1
1 944 . 9 1 1 A 93 93 ALA N N 93 126.000 122.272 3.728 1
1 945 . 9 1 1 A 94 94 TYR H H 94 8.460 9.300 -0.840 1
1 946 . 9 1 1 A 94 94 TYR HA H 94 5.570 5.800 -0.230 1
1 953 . 9 1 1 A 94 94 TYR C C 94 171.500 173.501 -2.001 1
1 954 . 9 1 1 A 94 94 TYR CA C 94 57.200 56.081 1.119 1
1 955 . 9 1 1 A 94 94 TYR CB C 94 39.800 41.364 -1.564 1
1 958 . 9 1 1 A 94 94 TYR N N 94 116.200 116.712 -0.512 1
1 959 . 9 1 1 A 95 95 PHE H H 95 9.220 8.813 0.407 1
1 960 . 9 1 1 A 95 95 PHE HA H 95 5.280 5.714 -0.434 1
1 967 . 9 1 1 A 95 95 PHE C C 95 172.900 173.029 -0.129 1
1 968 . 9 1 1 A 95 95 PHE CA C 95 55.200 55.518 -0.318 1
1 969 . 9 1 1 A 95 95 PHE CB C 95 42.400 43.139 -0.739 1
1 972 . 9 1 1 A 95 95 PHE N N 95 114.100 116.909 -2.809 1
1 973 . 9 1 1 A 96 96 VAL H H 96 9.130 9.049 0.081 1
1 974 . 9 1 1 A 96 96 VAL HA H 96 4.860 5.196 -0.336 1
1 982 . 9 1 1 A 96 96 VAL C C 96 174.800 174.814 -0.014 1
1 983 . 9 1 1 A 96 96 VAL CA C 96 61.400 61.362 0.038 1
1 984 . 9 1 1 A 96 96 VAL CB C 96 35.100 34.753 0.347 1
1 987 . 9 1 1 A 96 96 VAL N N 96 118.400 120.387 -1.987 1
1 988 . 9 1 1 A 97 97 LEU H H 97 9.610 9.447 0.163 1
1 989 . 9 1 1 A 97 97 LEU HA H 97 5.380 5.412 -0.032 1
1 999 . 9 1 1 A 97 97 LEU C C 97 175.700 175.074 0.626 1
1 1000 . 9 1 1 A 97 97 LEU CA C 97 52.100 53.461 -1.361 1
1 1001 . 9 1 1 A 97 97 LEU CB C 97 44.500 45.221 -0.721 1
1 1005 . 9 1 1 A 97 97 LEU N N 97 126.100 127.147 -1.047 1
1 1006 . 9 1 1 A 98 98 LYS H H 98 9.660 8.656 1.004 1
1 1007 . 9 1 1 A 98 98 LYS HA H 98 4.740 4.992 -0.252 1
1 1016 . 9 1 1 A 98 98 LYS C C 98 175.500 175.463 0.037 1
1 1017 . 9 1 1 A 98 98 LYS CA C 98 54.400 54.414 -0.014 1
1 1018 . 9 1 1 A 98 98 LYS CB C 98 37.500 35.751 1.749 1
1 1022 . 9 1 1 A 98 98 LYS N N 98 123.900 124.015 -0.115 1
1 1023 . 9 1 1 A 99 99 ARG H H 99 8.400 8.607 -0.207 1
1 1024 . 9 1 1 A 99 99 ARG HA H 99 4.040 4.346 -0.306 1
1 1031 . 9 1 1 A 99 99 ARG C C 99 174.800 175.364 -0.564 1
1 1032 . 9 1 1 A 99 99 ARG CA C 99 55.500 55.950 -0.450 1
1 1033 . 9 1 1 A 99 99 ARG CB C 99 30.000 30.711 -0.711 1
1 1036 . 9 1 1 A 99 99 ARG N N 99 128.700 127.409 1.291 1
1 1037 . 9 1 1 A 100 100 ILE H H 100 8.660 8.529 0.131 1
1 1038 . 9 1 1 A 100 100 ILE HA H 100 4.150 4.056 0.094 1
1 1048 . 9 1 1 A 100 100 ILE CA C 100 59.100 61.246 -2.146 1
1 1049 . 9 1 1 A 100 100 ILE CB C 100 36.300 38.065 -1.765 1
1 1053 . 9 1 1 A 100 100 ILE N N 100 130.500 127.400 3.100 1
1 1054 . 9 1 1 A 101 101 ARG C C 101 177.000 175.688 1.312 1
1 1055 . 9 1 1 A 102 102 LYS C C 102 178.900 176.453 2.447 1
1 1056 . 9 1 1 A 103 103 LEU HA H 103 4.230 3.995 0.235 1
1 1066 . 9 1 1 A 103 103 LEU CA C 103 54.900 55.708 -0.808 1
1 1067 . 9 1 1 A 103 103 LEU CB C 103 42.100 40.635 1.465 1
1 1071 . 9 1 1 A 104 104 GLU HA H 104 4.010 4.582 -0.572 1
1 1075 . 9 1 1 A 104 104 GLU CA C 104 58.300 55.577 2.723 1
1 1076 . 9 1 1 A 104 104 GLU CB C 104 28.300 27.928 0.372 1
1 1 . 10 1 1 A 10 10 GLU HA H 10 4.230 4.644 -0.414 1
1 6 . 10 1 1 A 10 10 GLU C C 10 176.100 174.884 1.216 1
1 7 . 10 1 1 A 10 10 GLU CA C 10 56.800 57.644 -0.844 1
1 8 . 10 1 1 A 10 10 GLU CB C 10 30.400 31.634 -1.234 1
1 10 . 10 1 1 A 11 11 ILE H H 11 8.270 8.033 0.237 1
1 11 . 10 1 1 A 11 11 ILE HA H 11 4.100 4.482 -0.382 1
1 21 . 10 1 1 A 11 11 ILE C C 11 173.900 174.431 -0.531 1
1 22 . 10 1 1 A 11 11 ILE CA C 11 60.900 60.605 0.295 1
1 23 . 10 1 1 A 11 11 ILE CB C 11 38.300 40.096 -1.796 1
1 27 . 10 1 1 A 11 11 ILE N N 11 121.800 119.406 2.394 1
1 28 . 10 1 1 A 12 12 MET H H 12 8.150 9.013 -0.863 1
1 29 . 10 1 1 A 12 12 MET HA H 12 5.250 5.393 -0.143 1
1 37 . 10 1 1 A 12 12 MET C C 12 175.500 175.261 0.239 1
1 38 . 10 1 1 A 12 12 MET CA C 12 53.100 53.457 -0.357 1
1 39 . 10 1 1 A 12 12 MET CB C 12 33.600 34.350 -0.750 1
1 42 . 10 1 1 A 12 12 MET N N 12 125.200 125.980 -0.780 1
1 43 . 10 1 1 A 13 13 ILE H H 13 9.200 9.536 -0.336 1
1 44 . 10 1 1 A 13 13 ILE HA H 13 4.400 4.766 -0.366 1
1 54 . 10 1 1 A 13 13 ILE C C 13 173.500 174.487 -0.987 1
1 55 . 10 1 1 A 13 13 ILE CA C 13 59.600 60.722 -1.122 1
1 56 . 10 1 1 A 13 13 ILE CB C 13 40.500 39.498 1.002 1
1 60 . 10 1 1 A 13 13 ILE N N 13 123.700 124.859 -1.159 1
1 61 . 10 1 1 A 14 14 LEU H H 14 8.550 9.258 -0.708 1
1 62 . 10 1 1 A 14 14 LEU HA H 14 5.200 5.291 -0.091 1
1 72 . 10 1 1 A 14 14 LEU C C 14 176.100 175.802 0.298 1
1 73 . 10 1 1 A 14 14 LEU CA C 14 53.700 53.521 0.179 1
1 74 . 10 1 1 A 14 14 LEU CB C 14 43.700 42.651 1.049 1
1 78 . 10 1 1 A 14 14 LEU N N 14 128.800 128.432 0.368 1
1 79 . 10 1 1 A 15 15 ILE H H 15 8.780 9.023 -0.243 1
1 80 . 10 1 1 A 15 15 ILE HA H 15 4.350 4.462 -0.112 1
1 90 . 10 1 1 A 15 15 ILE CA C 15 58.700 60.163 -1.463 1
1 91 . 10 1 1 A 15 15 ILE CB C 15 39.800 41.034 -1.234 1
1 95 . 10 1 1 A 15 15 ILE N N 15 123.000 123.705 -0.705 1
1 96 . 10 1 1 A 16 16 GLN HA H 16 3.710 4.121 -0.411 1
1 100 . 10 1 1 A 16 16 GLN CA C 16 57.700 57.470 0.230 1
1 101 . 10 1 1 A 16 16 GLN CB C 16 26.500 27.197 -0.697 1
1 103 . 10 1 1 A 17 17 ASN HA H 17 4.460 4.275 0.185 1
1 108 . 10 1 1 A 17 17 ASN C C 17 173.300 173.912 -0.612 1
1 109 . 10 1 1 A 17 17 ASN CA C 17 53.900 54.846 -0.946 1
1 110 . 10 1 1 A 17 17 ASN CB C 17 38.100 37.235 0.865 1
1 112 . 10 1 1 A 18 18 ALA H H 18 8.450 7.946 0.504 1
1 113 . 10 1 1 A 18 18 ALA HA H 18 4.250 4.565 -0.315 1
1 117 . 10 1 1 A 18 18 ALA C C 18 174.000 175.366 -1.366 1
1 118 . 10 1 1 A 18 18 ALA CA C 18 51.600 50.114 1.486 1
1 119 . 10 1 1 A 18 18 ALA CB C 18 20.500 21.086 -0.586 1
1 120 . 10 1 1 A 18 18 ALA N N 18 125.200 121.132 4.068 1
1 121 . 10 1 1 A 19 19 GLU H H 19 7.930 8.614 -0.684 1
1 122 . 10 1 1 A 19 19 GLU HA H 19 5.000 4.841 0.159 1
1 127 . 10 1 1 A 19 19 GLU C C 19 174.500 174.889 -0.389 1
1 128 . 10 1 1 A 19 19 GLU CA C 19 54.400 55.045 -0.645 1
1 129 . 10 1 1 A 19 19 GLU CB C 19 32.500 31.577 0.923 1
1 131 . 10 1 1 A 19 19 GLU N N 19 121.700 123.215 -1.515 1
1 132 . 10 1 1 A 20 20 PHE H H 20 9.110 9.171 -0.061 1
1 133 . 10 1 1 A 20 20 PHE HA H 20 5.340 5.665 -0.325 1
1 141 . 10 1 1 A 20 20 PHE C C 20 173.900 174.146 -0.246 1
1 142 . 10 1 1 A 20 20 PHE CA C 20 55.800 56.568 -0.768 1
1 143 . 10 1 1 A 20 20 PHE CB C 20 44.800 43.835 0.965 1
1 147 . 10 1 1 A 20 20 PHE N N 20 120.100 124.258 -4.158 1
1 148 . 10 1 1 A 21 21 GLU H H 21 9.200 8.940 0.260 1
1 149 . 10 1 1 A 21 21 GLU HA H 21 5.040 5.064 -0.024 1
1 154 . 10 1 1 A 21 21 GLU C C 21 176.200 174.867 1.333 1
1 155 . 10 1 1 A 21 21 GLU CA C 21 53.700 54.710 -1.010 1
1 156 . 10 1 1 A 21 21 GLU CB C 21 33.600 33.286 0.314 1
1 158 . 10 1 1 A 21 21 GLU N N 21 120.800 119.187 1.613 1
1 159 . 10 1 1 A 22 22 LEU H H 22 8.590 8.735 -0.145 1
1 160 . 10 1 1 A 22 22 LEU HA H 22 4.420 4.348 0.072 1
1 170 . 10 1 1 A 22 22 LEU C C 22 175.200 177.065 -1.865 1
1 171 . 10 1 1 A 22 22 LEU CA C 22 54.900 54.785 0.115 1
1 172 . 10 1 1 A 22 22 LEU CB C 22 41.000 41.700 -0.700 1
1 176 . 10 1 1 A 22 22 LEU N N 22 127.900 126.204 1.696 1
1 177 . 10 1 1 A 23 23 VAL H H 23 8.350 8.727 -0.377 1
1 178 . 10 1 1 A 23 23 VAL HA H 23 4.460 4.296 0.164 1
1 186 . 10 1 1 A 23 23 VAL C C 23 175.500 175.773 -0.273 1
1 187 . 10 1 1 A 23 23 VAL CA C 23 62.100 63.111 -1.011 1
1 188 . 10 1 1 A 23 23 VAL CB C 23 32.600 32.642 -0.042 1
1 191 . 10 1 1 A 23 23 VAL N N 23 122.700 122.282 0.418 1
1 192 . 10 1 1 A 24 24 HIS H H 24 7.590 7.286 0.304 1
1 193 . 10 1 1 A 24 24 HIS HA H 24 4.750 4.878 -0.128 1
1 197 . 10 1 1 A 24 24 HIS CA C 24 56.800 55.552 1.248 1
1 198 . 10 1 1 A 24 24 HIS CB C 24 34.800 33.212 1.588 1
1 200 . 10 1 1 A 24 24 HIS N N 24 118.300 120.938 -2.638 1
1 201 . 10 1 1 A 25 25 ASN HA H 25 5.070 5.493 -0.423 1
1 206 . 10 1 1 A 25 25 ASN C C 25 172.500 172.779 -0.279 1
1 207 . 10 1 1 A 25 25 ASN CA C 25 52.000 51.901 0.099 1
1 208 . 10 1 1 A 25 25 ASN CB C 25 40.400 42.522 -2.122 1
1 210 . 10 1 1 A 26 26 PHE H H 26 9.000 8.993 0.007 1
1 211 . 10 1 1 A 26 26 PHE HA H 26 4.540 4.678 -0.138 1
1 219 . 10 1 1 A 26 26 PHE C C 26 174.500 174.538 -0.038 1
1 220 . 10 1 1 A 26 26 PHE CA C 26 57.100 57.049 0.051 1
1 221 . 10 1 1 A 26 26 PHE CB C 26 40.900 41.613 -0.713 1
1 225 . 10 1 1 A 26 26 PHE N N 26 128.200 126.546 1.654 1
1 226 . 10 1 1 A 27 27 LYS H H 27 8.700 9.241 -0.541 1
1 227 . 10 1 1 A 27 27 LYS HA H 27 3.290 3.690 -0.400 1
1 236 . 10 1 1 A 27 27 LYS C C 27 174.500 176.005 -1.505 1
1 237 . 10 1 1 A 27 27 LYS CA C 27 56.800 57.185 -0.385 1
1 238 . 10 1 1 A 27 27 LYS CB C 27 29.500 29.829 -0.329 1
1 242 . 10 1 1 A 27 27 LYS N N 27 126.000 127.660 -1.660 1
1 243 . 10 1 1 A 28 28 ASP H H 28 8.560 8.299 0.261 1
1 244 . 10 1 1 A 28 28 ASP HA H 28 4.080 4.337 -0.257 1
1 247 . 10 1 1 A 28 28 ASP C C 28 174.700 177.015 -2.315 1
1 248 . 10 1 1 A 28 28 ASP CA C 28 54.800 55.208 -0.408 1
1 249 . 10 1 1 A 28 28 ASP CB C 28 39.100 40.340 -1.240 1
1 250 . 10 1 1 A 28 28 ASP N N 28 112.300 118.852 -6.552 1
1 251 . 10 1 1 A 29 29 GLY H H 29 7.160 7.693 -0.533 1
1 252 . 10 1 1 A 29 29 GLY HA2 H 29 3.490 3.793 -0.303 1
1 253 . 10 1 1 A 29 29 GLY HA3 H 29 3.780 4.162 -0.382 1
1 254 . 10 1 1 A 29 29 GLY C C 29 174.800 174.586 0.214 1
1 255 . 10 1 1 A 29 29 GLY CA C 29 47.600 46.001 1.599 1
1 256 . 10 1 1 A 29 29 GLY N N 29 101.900 107.136 -5.236 1
1 257 . 10 1 1 A 30 30 PHE H H 30 9.400 7.776 1.624 1
1 258 . 10 1 1 A 30 30 PHE HA H 30 3.380 3.810 -0.430 1
1 266 . 10 1 1 A 30 30 PHE CA C 30 60.700 57.600 3.100 1
1 267 . 10 1 1 A 30 30 PHE CB C 30 37.700 38.990 -1.290 1
1 271 . 10 1 1 A 30 30 PHE N N 30 120.800 121.548 -0.748 1
1 272 . 10 1 1 A 31 31 ASN H H 31 5.090 8.386 -3.296 1
1 273 . 10 1 1 A 31 31 ASN HA H 31 4.220 4.708 -0.488 1
1 276 . 10 1 1 A 31 31 ASN CA C 31 52.400 51.800 0.600 1
1 277 . 10 1 1 A 31 31 ASN CB C 31 41.100 39.839 1.261 1
1 278 . 10 1 1 A 31 31 ASN N N 31 125.400 125.526 -0.126 1
1 279 . 10 1 1 A 32 32 GLU HA H 32 3.290 3.514 -0.224 1
1 284 . 10 1 1 A 32 32 GLU C C 32 176.900 177.927 -1.027 1
1 285 . 10 1 1 A 32 32 GLU CA C 32 60.600 59.533 1.067 1
1 286 . 10 1 1 A 32 32 GLU CB C 32 29.500 29.447 0.053 1
1 288 . 10 1 1 A 33 33 GLU H H 33 8.320 8.377 -0.057 1
1 289 . 10 1 1 A 33 33 GLU HA H 33 3.880 4.094 -0.214 1
1 294 . 10 1 1 A 33 33 GLU C C 33 179.300 178.447 0.853 1
1 295 . 10 1 1 A 33 33 GLU CA C 33 59.600 59.156 0.444 1
1 296 . 10 1 1 A 33 33 GLU CB C 33 28.700 29.398 -0.698 1
1 298 . 10 1 1 A 33 33 GLU N N 33 119.000 117.408 1.592 1
1 299 . 10 1 1 A 34 34 ALA H H 34 8.330 7.598 0.732 1
1 300 . 10 1 1 A 34 34 ALA HA H 34 4.130 4.166 -0.036 1
1 304 . 10 1 1 A 34 34 ALA C C 34 179.600 179.723 -0.123 1
1 305 . 10 1 1 A 34 34 ALA CA C 34 54.400 54.980 -0.580 1
1 306 . 10 1 1 A 34 34 ALA CB C 34 18.400 18.502 -0.102 1
1 307 . 10 1 1 A 34 34 ALA N N 34 122.200 122.248 -0.048 1
1 308 . 10 1 1 A 35 35 PHE H H 35 8.040 8.125 -0.085 1
1 309 . 10 1 1 A 35 35 PHE HA H 35 4.020 4.269 -0.249 1
1 317 . 10 1 1 A 35 35 PHE C C 35 176.100 177.263 -1.163 1
1 318 . 10 1 1 A 35 35 PHE CA C 35 61.000 61.195 -0.195 1
1 319 . 10 1 1 A 35 35 PHE CB C 35 39.000 39.306 -0.306 1
1 323 . 10 1 1 A 35 35 PHE N N 35 117.100 120.724 -3.624 1
1 324 . 10 1 1 A 36 36 LYS H H 36 8.490 8.531 -0.041 1
1 325 . 10 1 1 A 36 36 LYS HA H 36 3.320 3.880 -0.560 1
1 334 . 10 1 1 A 36 36 LYS C C 36 178.000 178.683 -0.683 1
1 335 . 10 1 1 A 36 36 LYS CA C 36 59.800 58.895 0.905 1
1 336 . 10 1 1 A 36 36 LYS CB C 36 32.100 31.992 0.108 1
1 340 . 10 1 1 A 36 36 LYS N N 36 118.100 118.519 -0.419 1
1 341 . 10 1 1 A 37 37 ALA H H 37 7.450 7.447 0.003 1
1 342 . 10 1 1 A 37 37 ALA HA H 37 4.130 4.079 0.051 1
1 346 . 10 1 1 A 37 37 ALA C C 37 178.500 178.701 -0.201 1
1 347 . 10 1 1 A 37 37 ALA CA C 37 53.600 54.563 -0.963 1
1 348 . 10 1 1 A 37 37 ALA CB C 37 18.500 18.364 0.136 1
1 349 . 10 1 1 A 37 37 ALA N N 37 117.700 121.675 -3.975 1
1 350 . 10 1 1 A 38 38 ARG H H 38 7.160 7.427 -0.267 1
1 351 . 10 1 1 A 38 38 ARG HA H 38 4.340 4.378 -0.038 1
1 358 . 10 1 1 A 38 38 ARG C C 38 175.400 175.301 0.099 1
1 359 . 10 1 1 A 38 38 ARG CA C 38 54.200 55.503 -1.303 1
1 360 . 10 1 1 A 38 38 ARG CB C 38 31.400 31.012 0.388 1
1 363 . 10 1 1 A 38 38 ARG N N 38 114.800 114.924 -0.124 1
1 364 . 10 1 1 A 39 39 TYR H H 39 7.510 7.641 -0.131 1
1 365 . 10 1 1 A 39 39 TYR HA H 39 3.350 4.266 -0.916 1
1 372 . 10 1 1 A 39 39 TYR C C 39 173.700 175.104 -1.404 1
1 373 . 10 1 1 A 39 39 TYR CA C 39 60.800 59.073 1.727 1
1 374 . 10 1 1 A 39 39 TYR CB C 39 38.000 39.154 -1.154 1
1 377 . 10 1 1 A 39 39 TYR N N 39 122.600 122.897 -0.297 1
1 378 . 10 1 1 A 40 40 SER H H 40 5.730 7.696 -1.966 1
1 379 . 10 1 1 A 40 40 SER HA H 40 4.470 4.944 -0.474 1
1 382 . 10 1 1 A 40 40 SER CA C 40 56.100 55.809 0.291 1
1 383 . 10 1 1 A 40 40 SER CB C 40 65.100 65.269 -0.169 1
1 384 . 10 1 1 A 40 40 SER N N 40 119.100 121.733 -2.633 1
1 385 . 10 1 1 A 41 41 ASP HA H 41 4.210 4.349 -0.139 1
1 388 . 10 1 1 A 41 41 ASP CA C 41 56.700 56.916 -0.216 1
1 389 . 10 1 1 A 41 41 ASP CB C 41 40.500 40.394 0.106 1
1 390 . 10 1 1 A 42 42 ILE HA H 42 4.030 3.889 0.141 1
1 400 . 10 1 1 A 42 42 ILE C C 42 176.600 177.963 -1.363 1
1 401 . 10 1 1 A 42 42 ILE CA C 42 63.200 62.802 0.398 1
1 402 . 10 1 1 A 42 42 ILE CB C 42 37.600 37.497 0.103 1
1 406 . 10 1 1 A 43 43 LEU H H 43 7.700 7.870 -0.170 1
1 407 . 10 1 1 A 43 43 LEU HA H 43 4.560 4.355 0.205 1
1 417 . 10 1 1 A 43 43 LEU C C 43 178.000 179.406 -1.406 1
1 418 . 10 1 1 A 43 43 LEU CA C 43 54.700 57.502 -2.802 1
1 419 . 10 1 1 A 43 43 LEU CB C 43 40.800 40.950 -0.150 1
1 423 . 10 1 1 A 43 43 LEU N N 43 117.500 120.660 -3.160 1
1 424 . 10 1 1 A 44 44 ASN H H 44 7.870 8.137 -0.267 1
1 425 . 10 1 1 A 44 44 ASN HA H 44 4.480 4.841 -0.361 1
1 428 . 10 1 1 A 44 44 ASN CA C 44 55.300 55.890 -0.590 1
1 429 . 10 1 1 A 44 44 ASN CB C 44 38.200 39.404 -1.204 1
1 430 . 10 1 1 A 44 44 ASN N N 44 118.400 118.057 0.343 1
1 431 . 10 1 1 A 45 45 LYS HA H 45 4.200 4.060 0.140 1
1 440 . 10 1 1 A 45 45 LYS C C 45 176.200 178.287 -2.087 1
1 441 . 10 1 1 A 45 45 LYS CA C 45 56.500 58.857 -2.357 1
1 442 . 10 1 1 A 45 45 LYS CB C 45 32.000 31.819 0.181 1
1 446 . 10 1 1 A 46 46 TYR H H 46 6.770 7.460 -0.690 1
1 447 . 10 1 1 A 46 46 TYR HA H 46 3.900 4.113 -0.213 1
1 454 . 10 1 1 A 46 46 TYR C C 46 175.500 175.006 0.494 1
1 455 . 10 1 1 A 46 46 TYR CA C 46 59.200 57.996 1.204 1
1 456 . 10 1 1 A 46 46 TYR CB C 46 38.700 38.637 0.063 1
1 459 . 10 1 1 A 46 46 TYR N N 46 117.400 116.010 1.390 1
1 460 . 10 1 1 A 47 47 ASP H H 47 7.540 8.099 -0.559 1
1 461 . 10 1 1 A 47 47 ASP HA H 47 4.880 4.407 0.473 1
1 464 . 10 1 1 A 47 47 ASP C C 47 175.100 174.270 0.830 1
1 465 . 10 1 1 A 47 47 ASP CA C 47 56.100 55.816 0.284 1
1 466 . 10 1 1 A 47 47 ASP CB C 47 43.100 39.361 3.739 1
1 467 . 10 1 1 A 47 47 ASP N N 47 118.300 117.124 1.176 1
1 468 . 10 1 1 A 48 48 TYR H H 48 8.640 8.110 0.530 1
1 469 . 10 1 1 A 48 48 TYR HA H 48 5.670 5.618 0.052 1
1 476 . 10 1 1 A 48 48 TYR C C 48 174.700 174.990 -0.290 1
1 477 . 10 1 1 A 48 48 TYR CA C 48 55.900 56.705 -0.805 1
1 478 . 10 1 1 A 48 48 TYR CB C 48 43.500 42.410 1.090 1
1 481 . 10 1 1 A 48 48 TYR N N 48 116.700 118.310 -1.610 1
1 482 . 10 1 1 A 49 49 ILE H H 49 9.130 9.028 0.102 1
1 483 . 10 1 1 A 49 49 ILE HA H 49 4.660 4.839 -0.179 1
1 493 . 10 1 1 A 49 49 ILE C C 49 173.900 174.880 -0.980 1
1 494 . 10 1 1 A 49 49 ILE CA C 49 59.400 59.960 -0.560 1
1 495 . 10 1 1 A 49 49 ILE CB C 49 40.700 39.712 0.988 1
1 499 . 10 1 1 A 49 49 ILE N N 49 119.500 124.040 -4.540 1
1 500 . 10 1 1 A 50 50 VAL H H 50 9.220 9.166 0.054 1
1 501 . 10 1 1 A 50 50 VAL HA H 50 4.860 4.955 -0.095 1
1 509 . 10 1 1 A 50 50 VAL C C 50 175.200 175.062 0.138 1
1 510 . 10 1 1 A 50 50 VAL CA C 50 60.100 60.826 -0.726 1
1 511 . 10 1 1 A 50 50 VAL CB C 50 33.400 33.251 0.149 1
1 514 . 10 1 1 A 50 50 VAL N N 50 128.600 128.848 -0.248 1
1 515 . 10 1 1 A 51 51 GLY H H 51 7.860 8.281 -0.421 1
1 516 . 10 1 1 A 51 51 GLY HA2 H 51 5.420 3.595 1.825 1
1 517 . 10 1 1 A 51 51 GLY HA3 H 51 2.080 3.978 -1.898 1
1 518 . 10 1 1 A 51 51 GLY C C 51 170.700 172.303 -1.603 1
1 519 . 10 1 1 A 51 51 GLY CA C 51 43.600 44.337 -0.737 1
1 520 . 10 1 1 A 51 51 GLY N N 51 116.100 114.852 1.248 1
1 521 . 10 1 1 A 52 52 ASP H H 52 8.940 8.974 -0.034 1
1 522 . 10 1 1 A 52 52 ASP HA H 52 5.540 5.698 -0.158 1
1 525 . 10 1 1 A 52 52 ASP C C 52 174.200 176.283 -2.083 1
1 526 . 10 1 1 A 52 52 ASP CA C 52 53.000 52.335 0.665 1
1 527 . 10 1 1 A 52 52 ASP CB C 52 47.100 43.594 3.506 1
1 528 . 10 1 1 A 52 52 ASP N N 52 121.200 121.282 -0.082 1
1 529 . 10 1 1 A 53 53 TRP H H 53 7.980 8.636 -0.656 1
1 530 . 10 1 1 A 53 53 TRP HA H 53 4.950 5.037 -0.087 1
1 539 . 10 1 1 A 53 53 TRP C C 53 178.500 177.583 0.917 1
1 540 . 10 1 1 A 53 53 TRP CA C 53 56.200 56.890 -0.690 1
1 541 . 10 1 1 A 53 53 TRP CB C 53 28.500 29.128 -0.628 1
1 547 . 10 1 1 A 53 53 TRP N N 53 119.900 120.382 -0.482 1
1 549 . 10 1 1 A 54 54 GLY H H 54 10.320 8.680 1.640 1
1 550 . 10 1 1 A 54 54 GLY HA2 H 54 4.020 3.914 0.106 1
1 551 . 10 1 1 A 54 54 GLY HA3 H 54 4.020 3.924 0.096 1
1 552 . 10 1 1 A 54 54 GLY CA C 54 48.600 47.684 0.916 1
1 553 . 10 1 1 A 54 54 GLY N N 54 115.400 109.682 5.718 1
1 554 . 10 1 1 A 55 55 TYR HA H 55 4.890 4.449 0.441 1
1 561 . 10 1 1 A 55 55 TYR CA C 55 56.800 61.273 -4.473 1
1 562 . 10 1 1 A 55 55 TYR CB C 55 38.100 39.682 -1.582 1
1 565 . 10 1 1 A 56 56 GLY HA2 H 56 3.850 4.059 -0.209 1
1 566 . 10 1 1 A 56 56 GLY HA3 H 56 4.360 4.246 0.114 1
1 567 . 10 1 1 A 56 56 GLY C C 56 173.100 174.907 -1.807 1
1 568 . 10 1 1 A 56 56 GLY CA C 56 45.600 45.528 0.072 1
1 569 . 10 1 1 A 57 57 GLN H H 57 7.380 8.185 -0.805 1
1 570 . 10 1 1 A 57 57 GLN HA H 57 4.660 4.310 0.350 1
1 576 . 10 1 1 A 57 57 GLN C C 57 173.800 175.637 -1.837 1
1 577 . 10 1 1 A 57 57 GLN CA C 57 53.400 56.355 -2.955 1
1 578 . 10 1 1 A 57 57 GLN CB C 57 31.600 29.361 2.239 1
1 580 . 10 1 1 A 57 57 GLN N N 57 116.300 120.946 -4.646 1
1 582 . 10 1 1 A 58 58 LEU H H 58 8.100 8.007 0.093 1
1 583 . 10 1 1 A 58 58 LEU HA H 58 3.250 3.974 -0.724 1
1 593 . 10 1 1 A 58 58 LEU C C 58 174.200 175.055 -0.855 1
1 594 . 10 1 1 A 58 58 LEU CA C 58 55.500 55.627 -0.127 1
1 595 . 10 1 1 A 58 58 LEU CB C 58 39.900 41.795 -1.895 1
1 599 . 10 1 1 A 58 58 LEU N N 58 124.400 128.139 -3.739 1
1 600 . 10 1 1 A 59 59 ARG H H 59 8.360 8.483 -0.123 1
1 601 . 10 1 1 A 59 59 ARG HA H 59 4.470 4.542 -0.072 1
1 608 . 10 1 1 A 59 59 ARG C C 59 174.000 174.804 -0.804 1
1 609 . 10 1 1 A 59 59 ARG CA C 59 54.200 54.879 -0.679 1
1 610 . 10 1 1 A 59 59 ARG CB C 59 33.000 31.915 1.085 1
1 613 . 10 1 1 A 59 59 ARG N N 59 130.500 126.743 3.757 1
1 614 . 10 1 1 A 60 60 LEU H H 60 8.480 9.042 -0.562 1
1 615 . 10 1 1 A 60 60 LEU HA H 60 5.260 4.808 0.452 1
1 625 . 10 1 1 A 60 60 LEU C C 60 176.000 175.019 0.981 1
1 626 . 10 1 1 A 60 60 LEU CA C 60 52.500 53.927 -1.427 1
1 627 . 10 1 1 A 60 60 LEU CB C 60 44.200 42.331 1.869 1
1 631 . 10 1 1 A 60 60 LEU N N 60 122.400 125.308 -2.908 1
1 632 . 10 1 1 A 61 61 LYS H H 61 8.900 9.262 -0.362 1
1 633 . 10 1 1 A 61 61 LYS HA H 61 4.160 4.623 -0.463 1
1 642 . 10 1 1 A 61 61 LYS C C 61 174.200 175.485 -1.285 1
1 643 . 10 1 1 A 61 61 LYS CA C 61 54.800 54.438 0.362 1
1 644 . 10 1 1 A 61 61 LYS CB C 61 36.600 33.976 2.624 1
1 648 . 10 1 1 A 61 61 LYS N N 61 123.800 125.879 -2.079 1
1 649 . 10 1 1 A 62 62 GLY H H 62 8.140 8.513 -0.373 1
1 650 . 10 1 1 A 62 62 GLY HA2 H 62 4.160 2.750 1.410 1
1 651 . 10 1 1 A 62 62 GLY HA3 H 62 4.160 3.704 0.456 1
1 652 . 10 1 1 A 62 62 GLY C C 62 172.000 172.083 -0.083 1
1 653 . 10 1 1 A 62 62 GLY CA C 62 43.000 44.284 -1.284 1
1 654 . 10 1 1 A 62 62 GLY N N 62 114.000 112.602 1.398 1
1 655 . 10 1 1 A 63 63 PHE H H 63 8.500 9.027 -0.527 1
1 656 . 10 1 1 A 63 63 PHE HA H 63 4.800 4.966 -0.166 1
1 664 . 10 1 1 A 63 63 PHE C C 63 175.400 175.193 0.207 1
1 665 . 10 1 1 A 63 63 PHE CA C 63 55.800 56.722 -0.922 1
1 666 . 10 1 1 A 63 63 PHE CB C 63 46.200 42.408 3.792 1
1 670 . 10 1 1 A 63 63 PHE N N 63 118.600 123.552 -4.952 1
1 671 . 10 1 1 A 64 64 PHE H H 64 9.930 8.993 0.937 1
1 672 . 10 1 1 A 64 64 PHE HA H 64 5.460 5.307 0.153 1
1 679 . 10 1 1 A 64 64 PHE C C 64 175.600 175.311 0.289 1
1 680 . 10 1 1 A 64 64 PHE CA C 64 57.500 57.479 0.021 1
1 681 . 10 1 1 A 64 64 PHE CB C 64 43.100 41.792 1.308 1
1 684 . 10 1 1 A 64 64 PHE N N 64 120.100 120.204 -0.104 1
1 685 . 10 1 1 A 65 65 ASP H H 65 10.950 9.102 1.848 1
1 686 . 10 1 1 A 65 65 ASP HA H 65 4.860 4.726 0.134 1
1 689 . 10 1 1 A 65 65 ASP C C 65 177.400 175.403 1.997 1
1 690 . 10 1 1 A 65 65 ASP CA C 65 56.400 54.956 1.444 1
1 691 . 10 1 1 A 65 65 ASP CB C 65 42.800 41.090 1.710 1
1 692 . 10 1 1 A 65 65 ASP N N 65 123.200 120.634 2.566 1
1 693 . 10 1 1 A 66 66 ASP H H 66 8.470 8.985 -0.515 1
1 694 . 10 1 1 A 66 66 ASP HA H 66 4.110 4.738 -0.628 1
1 697 . 10 1 1 A 66 66 ASP C C 66 175.300 175.861 -0.561 1
1 698 . 10 1 1 A 66 66 ASP CA C 66 57.800 55.857 1.943 1
1 699 . 10 1 1 A 66 66 ASP CB C 66 42.000 41.347 0.653 1
1 700 . 10 1 1 A 66 66 ASP N N 66 122.800 123.431 -0.631 1
1 701 . 10 1 1 A 67 67 GLN H H 67 8.500 7.634 0.866 1
1 702 . 10 1 1 A 67 67 GLN HA H 67 4.250 4.646 -0.396 1
1 707 . 10 1 1 A 67 67 GLN C C 67 175.900 175.003 0.897 1
1 708 . 10 1 1 A 67 67 GLN CA C 67 55.400 54.364 1.036 1
1 709 . 10 1 1 A 67 67 GLN CB C 67 28.300 30.061 -1.761 1
1 711 . 10 1 1 A 68 68 ASN H H 68 7.880 8.841 -0.961 1
1 712 . 10 1 1 A 68 68 ASN HA H 68 4.430 5.285 -0.855 1
1 714 . 10 1 1 A 68 68 ASN CA C 68 53.300 52.687 0.613 1
1 715 . 10 1 1 A 68 68 ASN CB C 68 39.300 39.456 -0.156 1
1 716 . 10 1 1 A 68 68 ASN N N 68 121.500 122.577 -1.077 1
1 722 . 10 1 1 A 73 73 PHE HA H 73 4.190 4.394 -0.204 1
1 730 . 10 1 1 A 73 73 PHE CA C 73 61.300 59.741 1.559 1
1 731 . 10 1 1 A 73 73 PHE CB C 73 38.600 39.386 -0.786 1
1 735 . 10 1 1 A 74 74 GLU HA H 74 4.290 4.242 0.048 1
1 738 . 10 1 1 A 74 74 GLU CA C 74 56.800 57.871 -1.071 1
1 739 . 10 1 1 A 74 74 GLU CB C 74 29.900 28.421 1.479 1
1 741 . 10 1 1 A 75 75 THR HA H 75 4.180 4.686 -0.506 1
1 746 . 10 1 1 A 75 75 THR C C 75 174.100 173.841 0.259 1
1 747 . 10 1 1 A 75 75 THR CA C 75 60.700 60.863 -0.163 1
1 748 . 10 1 1 A 75 75 THR CB C 75 69.800 69.498 0.302 1
1 750 . 10 1 1 A 76 76 LYS HA H 76 3.880 4.703 -0.823 1
1 759 . 10 1 1 A 76 76 LYS CA C 76 55.900 55.066 0.834 1
1 760 . 10 1 1 A 76 76 LYS CB C 76 32.100 34.072 -1.972 1
1 764 . 10 1 1 A 77 77 ILE H H 77 9.060 8.671 0.389 1
1 765 . 10 1 1 A 77 77 ILE HA H 77 3.850 4.231 -0.381 1
1 775 . 10 1 1 A 77 77 ILE C C 77 175.900 176.069 -0.169 1
1 776 . 10 1 1 A 77 77 ILE CA C 77 59.600 60.879 -1.279 1
1 777 . 10 1 1 A 77 77 ILE CB C 77 38.400 37.556 0.844 1
1 781 . 10 1 1 A 77 77 ILE N N 77 126.900 128.382 -1.482 1
1 782 . 10 1 1 A 78 78 SER H H 78 8.730 8.949 -0.219 1
1 783 . 10 1 1 A 78 78 SER HA H 78 4.140 4.117 0.023 1
1 786 . 10 1 1 A 78 78 SER C C 78 176.200 176.629 -0.429 1
1 787 . 10 1 1 A 78 78 SER CA C 78 60.800 61.399 -0.599 1
1 788 . 10 1 1 A 78 78 SER CB C 78 61.200 63.072 -1.872 1
1 789 . 10 1 1 A 78 78 SER N N 78 119.000 123.927 -4.927 1
1 790 . 10 1 1 A 79 79 THR H H 79 8.050 7.560 0.490 1
1 791 . 10 1 1 A 79 79 THR HA H 79 4.580 4.023 0.557 1
1 796 . 10 1 1 A 79 79 THR C C 79 174.400 176.160 -1.760 1
1 797 . 10 1 1 A 79 79 THR CA C 79 62.200 65.491 -3.291 1
1 798 . 10 1 1 A 79 79 THR CB C 79 69.300 68.743 0.557 1
1 800 . 10 1 1 A 79 79 THR N N 79 114.300 115.074 -0.774 1
1 801 . 10 1 1 A 80 80 LEU H H 80 7.470 7.840 -0.370 1
1 802 . 10 1 1 A 80 80 LEU HA H 80 3.580 3.486 0.094 1
1 812 . 10 1 1 A 80 80 LEU C C 80 176.500 177.624 -1.124 1
1 813 . 10 1 1 A 80 80 LEU CA C 80 58.400 58.017 0.383 1
1 814 . 10 1 1 A 80 80 LEU CB C 80 41.800 41.261 0.539 1
1 818 . 10 1 1 A 80 80 LEU N N 80 123.200 121.984 1.216 1
1 819 . 10 1 1 A 81 81 ASP H H 81 8.450 7.625 0.825 1
1 820 . 10 1 1 A 81 81 ASP HA H 81 4.060 4.182 -0.122 1
1 823 . 10 1 1 A 81 81 ASP C C 81 178.700 178.298 0.402 1
1 824 . 10 1 1 A 81 81 ASP CA C 81 57.600 57.900 -0.300 1
1 825 . 10 1 1 A 81 81 ASP CB C 81 39.500 42.398 -2.898 1
1 826 . 10 1 1 A 81 81 ASP N N 81 116.000 118.794 -2.794 1
1 827 . 10 1 1 A 82 82 GLU H H 82 7.800 7.524 0.276 1
1 828 . 10 1 1 A 82 82 GLU HA H 82 4.030 4.023 0.007 1
1 833 . 10 1 1 A 82 82 GLU C C 82 178.500 178.946 -0.446 1
1 834 . 10 1 1 A 82 82 GLU CA C 82 59.100 59.179 -0.079 1
1 835 . 10 1 1 A 82 82 GLU CB C 82 29.300 29.503 -0.203 1
1 837 . 10 1 1 A 82 82 GLU N N 82 120.400 118.891 1.509 1
1 838 . 10 1 1 A 83 83 TYR H H 83 8.190 8.347 -0.157 1
1 839 . 10 1 1 A 83 83 TYR HA H 83 4.410 4.264 0.146 1
1 846 . 10 1 1 A 83 83 TYR C C 83 176.700 177.287 -0.587 1
1 847 . 10 1 1 A 83 83 TYR CA C 83 60.900 61.412 -0.512 1
1 848 . 10 1 1 A 83 83 TYR CB C 83 37.600 38.805 -1.205 1
1 851 . 10 1 1 A 83 83 TYR N N 83 122.900 121.970 0.930 1
1 852 . 10 1 1 A 84 84 ILE H H 84 8.400 8.557 -0.157 1
1 853 . 10 1 1 A 84 84 ILE HA H 84 3.240 3.481 -0.241 1
1 863 . 10 1 1 A 84 84 ILE C C 84 178.000 177.622 0.378 1
1 864 . 10 1 1 A 84 84 ILE CA C 84 60.800 65.398 -4.598 1
1 865 . 10 1 1 A 84 84 ILE CB C 84 35.500 37.501 -2.001 1
1 869 . 10 1 1 A 84 84 ILE N N 84 119.100 120.473 -1.373 1
1 870 . 10 1 1 A 85 85 TYR H H 85 7.820 8.122 -0.302 1
1 871 . 10 1 1 A 85 85 TYR HA H 85 3.910 4.013 -0.103 1
1 878 . 10 1 1 A 85 85 TYR C C 85 176.800 177.860 -1.060 1
1 879 . 10 1 1 A 85 85 TYR CA C 85 60.700 60.965 -0.265 1
1 880 . 10 1 1 A 85 85 TYR CB C 85 37.900 38.748 -0.848 1
1 883 . 10 1 1 A 85 85 TYR N N 85 119.100 120.611 -1.511 1
1 884 . 10 1 1 A 86 86 GLU H H 86 7.660 7.714 -0.054 1
1 885 . 10 1 1 A 86 86 GLU HA H 86 3.690 3.974 -0.284 1
1 890 . 10 1 1 A 86 86 GLU C C 86 177.900 178.706 -0.806 1
1 891 . 10 1 1 A 86 86 GLU CA C 86 58.200 58.746 -0.546 1
1 892 . 10 1 1 A 86 86 GLU CB C 86 29.500 29.792 -0.292 1
1 894 . 10 1 1 A 86 86 GLU N N 86 116.700 118.895 -2.195 1
1 895 . 10 1 1 A 87 87 TYR H H 87 8.010 7.704 0.306 1
1 896 . 10 1 1 A 87 87 TYR HA H 87 4.090 4.163 -0.073 1
1 903 . 10 1 1 A 87 87 TYR C C 87 176.000 176.922 -0.922 1
1 904 . 10 1 1 A 87 87 TYR CA C 87 60.100 59.959 0.141 1
1 905 . 10 1 1 A 87 87 TYR CB C 87 37.300 38.718 -1.418 1
1 908 . 10 1 1 A 87 87 TYR N N 87 114.900 117.968 -3.068 1
1 909 . 10 1 1 A 88 88 CYS H H 88 8.300 8.077 0.223 1
1 910 . 10 1 1 A 88 88 CYS HA H 88 4.760 5.010 -0.250 1
1 913 . 10 1 1 A 88 88 CYS CA C 88 53.500 54.913 -1.413 1
1 914 . 10 1 1 A 88 88 CYS CB C 88 42.000 41.697 0.303 1
1 915 . 10 1 1 A 88 88 CYS N N 88 119.700 116.514 3.186 1
1 916 . 10 1 1 A 89 89 ASN C C 89 176.500 175.627 0.873 1
1 917 . 10 1 1 A 90 90 PHE HA H 90 4.590 4.603 -0.013 1
1 925 . 10 1 1 A 90 90 PHE CA C 90 57.400 57.870 -0.470 1
1 926 . 10 1 1 A 90 90 PHE CB C 90 38.200 40.780 -2.580 1
1 930 . 10 1 1 A 92 92 CYS HA H 92 4.660 5.438 -0.778 1
1 933 . 10 1 1 A 92 92 CYS C C 92 172.000 171.731 0.269 1
1 934 . 10 1 1 A 92 92 CYS CA C 92 55.000 54.017 0.983 1
1 935 . 10 1 1 A 92 92 CYS CB C 92 47.400 46.900 0.500 1
1 936 . 10 1 1 A 93 93 ALA H H 93 8.670 8.852 -0.182 1
1 937 . 10 1 1 A 93 93 ALA HA H 93 4.520 5.581 -1.061 1
1 941 . 10 1 1 A 93 93 ALA C C 93 177.400 175.688 1.712 1
1 942 . 10 1 1 A 93 93 ALA CA C 93 52.400 50.937 1.463 1
1 943 . 10 1 1 A 93 93 ALA CB C 93 19.800 24.130 -4.330 1
1 944 . 10 1 1 A 93 93 ALA N N 93 126.000 122.241 3.759 1
1 945 . 10 1 1 A 94 94 TYR H H 94 8.460 8.795 -0.335 1
1 946 . 10 1 1 A 94 94 TYR HA H 94 5.570 5.814 -0.244 1
1 953 . 10 1 1 A 94 94 TYR C C 94 171.500 173.794 -2.294 1
1 954 . 10 1 1 A 94 94 TYR CA C 94 57.200 56.538 0.662 1
1 955 . 10 1 1 A 94 94 TYR CB C 94 39.800 40.915 -1.115 1
1 958 . 10 1 1 A 94 94 TYR N N 94 116.200 116.339 -0.139 1
1 959 . 10 1 1 A 95 95 PHE H H 95 9.220 8.752 0.468 1
1 960 . 10 1 1 A 95 95 PHE HA H 95 5.280 5.544 -0.264 1
1 967 . 10 1 1 A 95 95 PHE C C 95 172.900 172.727 0.173 1
1 968 . 10 1 1 A 95 95 PHE CA C 95 55.200 56.149 -0.949 1
1 969 . 10 1 1 A 95 95 PHE CB C 95 42.400 42.332 0.068 1
1 972 . 10 1 1 A 95 95 PHE N N 95 114.100 116.476 -2.376 1
1 973 . 10 1 1 A 96 96 VAL H H 96 9.130 8.917 0.213 1
1 974 . 10 1 1 A 96 96 VAL HA H 96 4.860 5.088 -0.228 1
1 982 . 10 1 1 A 96 96 VAL C C 96 174.800 174.854 -0.054 1
1 983 . 10 1 1 A 96 96 VAL CA C 96 61.400 61.124 0.276 1
1 984 . 10 1 1 A 96 96 VAL CB C 96 35.100 34.589 0.511 1
1 987 . 10 1 1 A 96 96 VAL N N 96 118.400 120.405 -2.005 1
1 988 . 10 1 1 A 97 97 LEU H H 97 9.610 9.521 0.089 1
1 989 . 10 1 1 A 97 97 LEU HA H 97 5.380 5.395 -0.015 1
1 999 . 10 1 1 A 97 97 LEU C C 97 175.700 175.234 0.466 1
1 1000 . 10 1 1 A 97 97 LEU CA C 97 52.100 53.296 -1.196 1
1 1001 . 10 1 1 A 97 97 LEU CB C 97 44.500 45.001 -0.501 1
1 1005 . 10 1 1 A 97 97 LEU N N 97 126.100 127.100 -1.000 1
1 1006 . 10 1 1 A 98 98 LYS H H 98 9.660 9.027 0.633 1
1 1007 . 10 1 1 A 98 98 LYS HA H 98 4.740 4.721 0.019 1
1 1016 . 10 1 1 A 98 98 LYS C C 98 175.500 175.596 -0.096 1
1 1017 . 10 1 1 A 98 98 LYS CA C 98 54.400 54.459 -0.059 1
1 1018 . 10 1 1 A 98 98 LYS CB C 98 37.500 35.515 1.985 1
1 1022 . 10 1 1 A 98 98 LYS N N 98 123.900 123.613 0.287 1
1 1023 . 10 1 1 A 99 99 ARG H H 99 8.400 8.665 -0.265 1
1 1024 . 10 1 1 A 99 99 ARG HA H 99 4.040 4.469 -0.429 1
1 1031 . 10 1 1 A 99 99 ARG C C 99 174.800 175.037 -0.237 1
1 1032 . 10 1 1 A 99 99 ARG CA C 99 55.500 56.532 -1.032 1
1 1033 . 10 1 1 A 99 99 ARG CB C 99 30.000 30.501 -0.501 1
1 1036 . 10 1 1 A 99 99 ARG N N 99 128.700 128.330 0.370 1
1 1037 . 10 1 1 A 100 100 ILE H H 100 8.660 8.773 -0.113 1
1 1038 . 10 1 1 A 100 100 ILE HA H 100 4.150 4.388 -0.238 1
1 1048 . 10 1 1 A 100 100 ILE CA C 100 59.100 60.670 -1.570 1
1 1049 . 10 1 1 A 100 100 ILE CB C 100 36.300 37.971 -1.671 1
1 1053 . 10 1 1 A 100 100 ILE N N 100 130.500 128.527 1.973 1
1 1054 . 10 1 1 A 101 101 ARG C C 101 177.000 175.747 1.253 1
1 1055 . 10 1 1 A 102 102 LYS C C 102 178.900 176.887 2.013 1
1 1056 . 10 1 1 A 103 103 LEU HA H 103 4.230 3.874 0.356 1
1 1066 . 10 1 1 A 103 103 LEU CA C 103 54.900 55.645 -0.745 1
1 1067 . 10 1 1 A 103 103 LEU CB C 103 42.100 40.468 1.632 1
1 1071 . 10 1 1 A 104 104 GLU HA H 104 4.010 4.711 -0.701 1
1 1075 . 10 1 1 A 104 104 GLU CA C 104 58.300 54.984 3.316 1
1 1076 . 10 1 1 A 104 104 GLU CB C 104 28.300 32.338 -4.038 1
1 1 . 11 1 1 A 10 10 GLU HA H 10 4.230 4.626 -0.396 1
1 6 . 11 1 1 A 10 10 GLU C C 10 176.100 175.059 1.041 1
1 7 . 11 1 1 A 10 10 GLU CA C 10 56.800 57.706 -0.906 1
1 8 . 11 1 1 A 10 10 GLU CB C 10 30.400 31.531 -1.131 1
1 10 . 11 1 1 A 11 11 ILE H H 11 8.270 8.173 0.097 1
1 11 . 11 1 1 A 11 11 ILE HA H 11 4.100 4.299 -0.199 1
1 21 . 11 1 1 A 11 11 ILE C C 11 173.900 174.358 -0.458 1
1 22 . 11 1 1 A 11 11 ILE CA C 11 60.900 60.770 0.130 1
1 23 . 11 1 1 A 11 11 ILE CB C 11 38.300 38.951 -0.651 1
1 27 . 11 1 1 A 11 11 ILE N N 11 121.800 120.079 1.721 1
1 28 . 11 1 1 A 12 12 MET H H 12 8.150 8.833 -0.683 1
1 29 . 11 1 1 A 12 12 MET HA H 12 5.250 5.410 -0.160 1
1 37 . 11 1 1 A 12 12 MET C C 12 175.500 174.851 0.649 1
1 38 . 11 1 1 A 12 12 MET CA C 12 53.100 53.464 -0.364 1
1 39 . 11 1 1 A 12 12 MET CB C 12 33.600 33.999 -0.399 1
1 42 . 11 1 1 A 12 12 MET N N 12 125.200 125.463 -0.263 1
1 43 . 11 1 1 A 13 13 ILE H H 13 9.200 9.665 -0.465 1
1 44 . 11 1 1 A 13 13 ILE HA H 13 4.400 4.640 -0.240 1
1 54 . 11 1 1 A 13 13 ILE C C 13 173.500 174.915 -1.415 1
1 55 . 11 1 1 A 13 13 ILE CA C 13 59.600 60.808 -1.208 1
1 56 . 11 1 1 A 13 13 ILE CB C 13 40.500 37.946 2.554 1
1 60 . 11 1 1 A 13 13 ILE N N 13 123.700 125.589 -1.889 1
1 61 . 11 1 1 A 14 14 LEU H H 14 8.550 9.160 -0.610 1
1 62 . 11 1 1 A 14 14 LEU HA H 14 5.200 4.873 0.327 1
1 72 . 11 1 1 A 14 14 LEU C C 14 176.100 175.588 0.512 1
1 73 . 11 1 1 A 14 14 LEU CA C 14 53.700 54.082 -0.382 1
1 74 . 11 1 1 A 14 14 LEU CB C 14 43.700 41.353 2.347 1
1 78 . 11 1 1 A 14 14 LEU N N 14 128.800 128.868 -0.068 1
1 79 . 11 1 1 A 15 15 ILE H H 15 8.780 9.071 -0.291 1
1 80 . 11 1 1 A 15 15 ILE HA H 15 4.350 4.655 -0.305 1
1 90 . 11 1 1 A 15 15 ILE CA C 15 58.700 59.650 -0.950 1
1 91 . 11 1 1 A 15 15 ILE CB C 15 39.800 40.478 -0.678 1
1 95 . 11 1 1 A 15 15 ILE N N 15 123.000 125.467 -2.467 1
1 96 . 11 1 1 A 16 16 GLN HA H 16 3.710 4.058 -0.348 1
1 100 . 11 1 1 A 16 16 GLN CA C 16 57.700 57.418 0.282 1
1 101 . 11 1 1 A 16 16 GLN CB C 16 26.500 27.036 -0.536 1
1 103 . 11 1 1 A 17 17 ASN HA H 17 4.460 4.269 0.191 1
1 108 . 11 1 1 A 17 17 ASN C C 17 173.300 174.054 -0.754 1
1 109 . 11 1 1 A 17 17 ASN CA C 17 53.900 55.006 -1.106 1
1 110 . 11 1 1 A 17 17 ASN CB C 17 38.100 36.877 1.223 1
1 112 . 11 1 1 A 18 18 ALA H H 18 8.450 7.688 0.762 1
1 113 . 11 1 1 A 18 18 ALA HA H 18 4.250 4.469 -0.219 1
1 117 . 11 1 1 A 18 18 ALA C C 18 174.000 175.391 -1.391 1
1 118 . 11 1 1 A 18 18 ALA CA C 18 51.600 50.491 1.109 1
1 119 . 11 1 1 A 18 18 ALA CB C 18 20.500 19.840 0.660 1
1 120 . 11 1 1 A 18 18 ALA N N 18 125.200 121.842 3.358 1
1 121 . 11 1 1 A 19 19 GLU H H 19 7.930 8.753 -0.823 1
1 122 . 11 1 1 A 19 19 GLU HA H 19 5.000 4.704 0.296 1
1 127 . 11 1 1 A 19 19 GLU C C 19 174.500 175.313 -0.813 1
1 128 . 11 1 1 A 19 19 GLU CA C 19 54.400 55.053 -0.653 1
1 129 . 11 1 1 A 19 19 GLU CB C 19 32.500 31.030 1.470 1
1 131 . 11 1 1 A 19 19 GLU N N 19 121.700 124.812 -3.112 1
1 132 . 11 1 1 A 20 20 PHE H H 20 9.110 9.274 -0.164 1
1 133 . 11 1 1 A 20 20 PHE HA H 20 5.340 5.470 -0.130 1
1 141 . 11 1 1 A 20 20 PHE C C 20 173.900 174.343 -0.443 1
1 142 . 11 1 1 A 20 20 PHE CA C 20 55.800 56.853 -1.053 1
1 143 . 11 1 1 A 20 20 PHE CB C 20 44.800 43.655 1.145 1
1 147 . 11 1 1 A 20 20 PHE N N 20 120.100 125.468 -5.368 1
1 148 . 11 1 1 A 21 21 GLU H H 21 9.200 9.205 -0.005 1
1 149 . 11 1 1 A 21 21 GLU HA H 21 5.040 5.100 -0.060 1
1 154 . 11 1 1 A 21 21 GLU C C 21 176.200 174.604 1.596 1
1 155 . 11 1 1 A 21 21 GLU CA C 21 53.700 54.736 -1.036 1
1 156 . 11 1 1 A 21 21 GLU CB C 21 33.600 33.642 -0.042 1
1 158 . 11 1 1 A 21 21 GLU N N 21 120.800 118.662 2.138 1
1 159 . 11 1 1 A 22 22 LEU H H 22 8.590 8.608 -0.018 1
1 160 . 11 1 1 A 22 22 LEU HA H 22 4.420 4.363 0.057 1
1 170 . 11 1 1 A 22 22 LEU C C 22 175.200 177.068 -1.868 1
1 171 . 11 1 1 A 22 22 LEU CA C 22 54.900 54.598 0.302 1
1 172 . 11 1 1 A 22 22 LEU CB C 22 41.000 41.536 -0.536 1
1 176 . 11 1 1 A 22 22 LEU N N 22 127.900 124.714 3.186 1
1 177 . 11 1 1 A 23 23 VAL H H 23 8.350 8.582 -0.232 1
1 178 . 11 1 1 A 23 23 VAL HA H 23 4.460 4.314 0.146 1
1 186 . 11 1 1 A 23 23 VAL C C 23 175.500 175.765 -0.265 1
1 187 . 11 1 1 A 23 23 VAL CA C 23 62.100 62.836 -0.736 1
1 188 . 11 1 1 A 23 23 VAL CB C 23 32.600 32.636 -0.036 1
1 191 . 11 1 1 A 23 23 VAL N N 23 122.700 121.858 0.842 1
1 192 . 11 1 1 A 24 24 HIS H H 24 7.590 7.253 0.337 1
1 193 . 11 1 1 A 24 24 HIS HA H 24 4.750 4.835 -0.085 1
1 197 . 11 1 1 A 24 24 HIS CA C 24 56.800 56.196 0.604 1
1 198 . 11 1 1 A 24 24 HIS CB C 24 34.800 32.871 1.929 1
1 200 . 11 1 1 A 24 24 HIS N N 24 118.300 120.854 -2.554 1
1 201 . 11 1 1 A 25 25 ASN HA H 25 5.070 5.209 -0.139 1
1 206 . 11 1 1 A 25 25 ASN C C 25 172.500 172.927 -0.427 1
1 207 . 11 1 1 A 25 25 ASN CA C 25 52.000 52.100 -0.100 1
1 208 . 11 1 1 A 25 25 ASN CB C 25 40.400 42.037 -1.637 1
1 210 . 11 1 1 A 26 26 PHE H H 26 9.000 8.846 0.154 1
1 211 . 11 1 1 A 26 26 PHE HA H 26 4.540 4.627 -0.087 1
1 219 . 11 1 1 A 26 26 PHE C C 26 174.500 174.697 -0.197 1
1 220 . 11 1 1 A 26 26 PHE CA C 26 57.100 57.086 0.014 1
1 221 . 11 1 1 A 26 26 PHE CB C 26 40.900 41.225 -0.325 1
1 225 . 11 1 1 A 26 26 PHE N N 26 128.200 126.741 1.459 1
1 226 . 11 1 1 A 27 27 LYS H H 27 8.700 9.186 -0.486 1
1 227 . 11 1 1 A 27 27 LYS HA H 27 3.290 3.669 -0.379 1
1 236 . 11 1 1 A 27 27 LYS C C 27 174.500 175.368 -0.868 1
1 237 . 11 1 1 A 27 27 LYS CA C 27 56.800 57.138 -0.338 1
1 238 . 11 1 1 A 27 27 LYS CB C 27 29.500 29.822 -0.322 1
1 242 . 11 1 1 A 27 27 LYS N N 27 126.000 127.659 -1.659 1
1 243 . 11 1 1 A 28 28 ASP H H 28 8.560 8.415 0.145 1
1 244 . 11 1 1 A 28 28 ASP HA H 28 4.080 4.299 -0.219 1
1 247 . 11 1 1 A 28 28 ASP C C 28 174.700 176.957 -2.257 1
1 248 . 11 1 1 A 28 28 ASP CA C 28 54.800 55.554 -0.754 1
1 249 . 11 1 1 A 28 28 ASP CB C 28 39.100 38.718 0.382 1
1 250 . 11 1 1 A 28 28 ASP N N 28 112.300 111.281 1.019 1
1 251 . 11 1 1 A 29 29 GLY H H 29 7.160 7.792 -0.632 1
1 252 . 11 1 1 A 29 29 GLY HA2 H 29 3.490 3.844 -0.354 1
1 253 . 11 1 1 A 29 29 GLY HA3 H 29 3.780 4.118 -0.338 1
1 254 . 11 1 1 A 29 29 GLY C C 29 174.800 174.707 0.093 1
1 255 . 11 1 1 A 29 29 GLY CA C 29 47.600 46.231 1.369 1
1 256 . 11 1 1 A 29 29 GLY N N 29 101.900 105.545 -3.645 1
1 257 . 11 1 1 A 30 30 PHE H H 30 9.400 7.486 1.914 1
1 258 . 11 1 1 A 30 30 PHE HA H 30 3.380 3.661 -0.281 1
1 266 . 11 1 1 A 30 30 PHE CA C 30 60.700 57.381 3.319 1
1 267 . 11 1 1 A 30 30 PHE CB C 30 37.700 38.618 -0.918 1
1 271 . 11 1 1 A 30 30 PHE N N 30 120.800 121.788 -0.988 1
1 272 . 11 1 1 A 31 31 ASN H H 31 5.090 7.981 -2.891 1
1 273 . 11 1 1 A 31 31 ASN HA H 31 4.220 4.759 -0.539 1
1 276 . 11 1 1 A 31 31 ASN CA C 31 52.400 51.476 0.924 1
1 277 . 11 1 1 A 31 31 ASN CB C 31 41.100 39.054 2.046 1
1 278 . 11 1 1 A 31 31 ASN N N 31 125.400 126.021 -0.621 1
1 279 . 11 1 1 A 32 32 GLU HA H 32 3.290 3.365 -0.075 1
1 284 . 11 1 1 A 32 32 GLU C C 32 176.900 177.954 -1.054 1
1 285 . 11 1 1 A 32 32 GLU CA C 32 60.600 59.669 0.931 1
1 286 . 11 1 1 A 32 32 GLU CB C 32 29.500 29.279 0.221 1
1 288 . 11 1 1 A 33 33 GLU H H 33 8.320 8.384 -0.064 1
1 289 . 11 1 1 A 33 33 GLU HA H 33 3.880 4.048 -0.168 1
1 294 . 11 1 1 A 33 33 GLU C C 33 179.300 178.513 0.787 1
1 295 . 11 1 1 A 33 33 GLU CA C 33 59.600 59.298 0.302 1
1 296 . 11 1 1 A 33 33 GLU CB C 33 28.700 29.326 -0.626 1
1 298 . 11 1 1 A 33 33 GLU N N 33 119.000 117.600 1.400 1
1 299 . 11 1 1 A 34 34 ALA H H 34 8.330 7.848 0.482 1
1 300 . 11 1 1 A 34 34 ALA HA H 34 4.130 4.095 0.035 1
1 304 . 11 1 1 A 34 34 ALA C C 34 179.600 179.610 -0.010 1
1 305 . 11 1 1 A 34 34 ALA CA C 34 54.400 55.008 -0.608 1
1 306 . 11 1 1 A 34 34 ALA CB C 34 18.400 18.415 -0.015 1
1 307 . 11 1 1 A 34 34 ALA N N 34 122.200 122.207 -0.007 1
1 308 . 11 1 1 A 35 35 PHE H H 35 8.040 8.536 -0.496 1
1 309 . 11 1 1 A 35 35 PHE HA H 35 4.020 4.134 -0.114 1
1 317 . 11 1 1 A 35 35 PHE C C 35 176.100 177.637 -1.537 1
1 318 . 11 1 1 A 35 35 PHE CA C 35 61.000 61.496 -0.496 1
1 319 . 11 1 1 A 35 35 PHE CB C 35 39.000 39.460 -0.460 1
1 323 . 11 1 1 A 35 35 PHE N N 35 117.100 120.053 -2.953 1
1 324 . 11 1 1 A 36 36 LYS H H 36 8.490 8.649 -0.159 1
1 325 . 11 1 1 A 36 36 LYS HA H 36 3.320 3.854 -0.534 1
1 334 . 11 1 1 A 36 36 LYS C C 36 178.000 178.013 -0.013 1
1 335 . 11 1 1 A 36 36 LYS CA C 36 59.800 58.438 1.362 1
1 336 . 11 1 1 A 36 36 LYS CB C 36 32.100 31.265 0.835 1
1 340 . 11 1 1 A 36 36 LYS N N 36 118.100 118.084 0.016 1
1 341 . 11 1 1 A 37 37 ALA H H 37 7.450 7.666 -0.216 1
1 342 . 11 1 1 A 37 37 ALA HA H 37 4.130 4.154 -0.024 1
1 346 . 11 1 1 A 37 37 ALA C C 37 178.500 178.212 0.288 1
1 347 . 11 1 1 A 37 37 ALA CA C 37 53.600 53.957 -0.357 1
1 348 . 11 1 1 A 37 37 ALA CB C 37 18.500 18.726 -0.226 1
1 349 . 11 1 1 A 37 37 ALA N N 37 117.700 121.701 -4.001 1
1 350 . 11 1 1 A 38 38 ARG H H 38 7.160 7.483 -0.323 1
1 351 . 11 1 1 A 38 38 ARG HA H 38 4.340 4.412 -0.072 1
1 358 . 11 1 1 A 38 38 ARG C C 38 175.400 175.714 -0.314 1
1 359 . 11 1 1 A 38 38 ARG CA C 38 54.200 55.483 -1.283 1
1 360 . 11 1 1 A 38 38 ARG CB C 38 31.400 31.212 0.188 1
1 363 . 11 1 1 A 38 38 ARG N N 38 114.800 115.102 -0.302 1
1 364 . 11 1 1 A 39 39 TYR H H 39 7.510 7.212 0.298 1
1 365 . 11 1 1 A 39 39 TYR HA H 39 3.350 4.188 -0.838 1
1 372 . 11 1 1 A 39 39 TYR C C 39 173.700 174.968 -1.268 1
1 373 . 11 1 1 A 39 39 TYR CA C 39 60.800 59.655 1.145 1
1 374 . 11 1 1 A 39 39 TYR CB C 39 38.000 39.059 -1.059 1
1 377 . 11 1 1 A 39 39 TYR N N 39 122.600 123.057 -0.457 1
1 378 . 11 1 1 A 40 40 SER H H 40 5.730 7.995 -2.265 1
1 379 . 11 1 1 A 40 40 SER HA H 40 4.470 4.814 -0.344 1
1 382 . 11 1 1 A 40 40 SER CA C 40 56.100 55.673 0.427 1
1 383 . 11 1 1 A 40 40 SER CB C 40 65.100 65.538 -0.438 1
1 384 . 11 1 1 A 40 40 SER N N 40 119.100 122.049 -2.949 1
1 385 . 11 1 1 A 41 41 ASP HA H 41 4.210 4.267 -0.057 1
1 388 . 11 1 1 A 41 41 ASP CA C 41 56.700 57.801 -1.101 1
1 389 . 11 1 1 A 41 41 ASP CB C 41 40.500 40.187 0.313 1
1 390 . 11 1 1 A 42 42 ILE HA H 42 4.030 3.769 0.261 1
1 400 . 11 1 1 A 42 42 ILE C C 42 176.600 177.845 -1.245 1
1 401 . 11 1 1 A 42 42 ILE CA C 42 63.200 63.733 -0.533 1
1 402 . 11 1 1 A 42 42 ILE CB C 42 37.600 37.788 -0.188 1
1 406 . 11 1 1 A 43 43 LEU H H 43 7.700 7.743 -0.043 1
1 407 . 11 1 1 A 43 43 LEU HA H 43 4.560 4.371 0.189 1
1 417 . 11 1 1 A 43 43 LEU C C 43 178.000 179.575 -1.575 1
1 418 . 11 1 1 A 43 43 LEU CA C 43 54.700 57.660 -2.960 1
1 419 . 11 1 1 A 43 43 LEU CB C 43 40.800 40.732 0.068 1
1 423 . 11 1 1 A 43 43 LEU N N 43 117.500 120.899 -3.399 1
1 424 . 11 1 1 A 44 44 ASN H H 44 7.870 8.411 -0.541 1
1 425 . 11 1 1 A 44 44 ASN HA H 44 4.480 4.830 -0.350 1
1 428 . 11 1 1 A 44 44 ASN CA C 44 55.300 56.489 -1.189 1
1 429 . 11 1 1 A 44 44 ASN CB C 44 38.200 39.062 -0.862 1
1 430 . 11 1 1 A 44 44 ASN N N 44 118.400 118.223 0.177 1
1 431 . 11 1 1 A 45 45 LYS HA H 45 4.200 4.151 0.049 1
1 440 . 11 1 1 A 45 45 LYS C C 45 176.200 177.952 -1.752 1
1 441 . 11 1 1 A 45 45 LYS CA C 45 56.500 58.086 -1.586 1
1 442 . 11 1 1 A 45 45 LYS CB C 45 32.000 31.361 0.639 1
1 446 . 11 1 1 A 46 46 TYR H H 46 6.770 7.331 -0.561 1
1 447 . 11 1 1 A 46 46 TYR HA H 46 3.900 4.342 -0.442 1
1 454 . 11 1 1 A 46 46 TYR C C 46 175.500 175.617 -0.117 1
1 455 . 11 1 1 A 46 46 TYR CA C 46 59.200 60.073 -0.873 1
1 456 . 11 1 1 A 46 46 TYR CB C 46 38.700 38.686 0.014 1
1 459 . 11 1 1 A 46 46 TYR N N 46 117.400 118.429 -1.029 1
1 460 . 11 1 1 A 47 47 ASP H H 47 7.540 8.195 -0.655 1
1 461 . 11 1 1 A 47 47 ASP HA H 47 4.880 4.615 0.265 1
1 464 . 11 1 1 A 47 47 ASP C C 47 175.100 174.234 0.866 1
1 465 . 11 1 1 A 47 47 ASP CA C 47 56.100 55.767 0.333 1
1 466 . 11 1 1 A 47 47 ASP CB C 47 43.100 39.508 3.592 1
1 467 . 11 1 1 A 47 47 ASP N N 47 118.300 117.149 1.151 1
1 468 . 11 1 1 A 48 48 TYR H H 48 8.640 8.138 0.502 1
1 469 . 11 1 1 A 48 48 TYR HA H 48 5.670 5.450 0.220 1
1 476 . 11 1 1 A 48 48 TYR C C 48 174.700 174.775 -0.075 1
1 477 . 11 1 1 A 48 48 TYR CA C 48 55.900 56.856 -0.956 1
1 478 . 11 1 1 A 48 48 TYR CB C 48 43.500 40.844 2.656 1
1 481 . 11 1 1 A 48 48 TYR N N 48 116.700 118.858 -2.158 1
1 482 . 11 1 1 A 49 49 ILE H H 49 9.130 9.261 -0.131 1
1 483 . 11 1 1 A 49 49 ILE HA H 49 4.660 4.830 -0.170 1
1 493 . 11 1 1 A 49 49 ILE C C 49 173.900 174.937 -1.037 1
1 494 . 11 1 1 A 49 49 ILE CA C 49 59.400 59.911 -0.511 1
1 495 . 11 1 1 A 49 49 ILE CB C 49 40.700 39.855 0.845 1
1 499 . 11 1 1 A 49 49 ILE N N 49 119.500 124.103 -4.603 1
1 500 . 11 1 1 A 50 50 VAL H H 50 9.220 9.115 0.105 1
1 501 . 11 1 1 A 50 50 VAL HA H 50 4.860 4.814 0.046 1
1 509 . 11 1 1 A 50 50 VAL C C 50 175.200 175.004 0.196 1
1 510 . 11 1 1 A 50 50 VAL CA C 50 60.100 60.875 -0.775 1
1 511 . 11 1 1 A 50 50 VAL CB C 50 33.400 32.442 0.958 1
1 514 . 11 1 1 A 50 50 VAL N N 50 128.600 129.070 -0.470 1
1 515 . 11 1 1 A 51 51 GLY H H 51 7.860 8.397 -0.537 1
1 516 . 11 1 1 A 51 51 GLY HA2 H 51 5.420 3.242 2.178 1
1 517 . 11 1 1 A 51 51 GLY HA3 H 51 2.080 3.862 -1.782 1
1 518 . 11 1 1 A 51 51 GLY C C 51 170.700 172.140 -1.440 1
1 519 . 11 1 1 A 51 51 GLY CA C 51 43.600 44.264 -0.664 1
1 520 . 11 1 1 A 51 51 GLY N N 51 116.100 114.563 1.537 1
1 521 . 11 1 1 A 52 52 ASP H H 52 8.940 8.663 0.277 1
1 522 . 11 1 1 A 52 52 ASP HA H 52 5.540 5.546 -0.006 1
1 525 . 11 1 1 A 52 52 ASP C C 52 174.200 176.138 -1.938 1
1 526 . 11 1 1 A 52 52 ASP CA C 52 53.000 52.253 0.747 1
1 527 . 11 1 1 A 52 52 ASP CB C 52 47.100 43.053 4.047 1
1 528 . 11 1 1 A 52 52 ASP N N 52 121.200 121.309 -0.109 1
1 529 . 11 1 1 A 53 53 TRP H H 53 7.980 8.720 -0.740 1
1 530 . 11 1 1 A 53 53 TRP HA H 53 4.950 4.914 0.036 1
1 539 . 11 1 1 A 53 53 TRP C C 53 178.500 176.887 1.613 1
1 540 . 11 1 1 A 53 53 TRP CA C 53 56.200 56.803 -0.603 1
1 541 . 11 1 1 A 53 53 TRP CB C 53 28.500 29.052 -0.552 1
1 547 . 11 1 1 A 53 53 TRP N N 53 119.900 122.311 -2.411 1
1 549 . 11 1 1 A 54 54 GLY H H 54 10.320 8.129 2.191 1
1 550 . 11 1 1 A 54 54 GLY HA2 H 54 4.020 4.059 -0.039 1
1 551 . 11 1 1 A 54 54 GLY HA3 H 54 4.020 4.083 -0.063 1
1 552 . 11 1 1 A 54 54 GLY CA C 54 48.600 46.684 1.916 1
1 553 . 11 1 1 A 54 54 GLY N N 54 115.400 108.168 7.232 1
1 554 . 11 1 1 A 55 55 TYR HA H 55 4.890 4.625 0.265 1
1 561 . 11 1 1 A 55 55 TYR CA C 55 56.800 59.665 -2.865 1
1 562 . 11 1 1 A 55 55 TYR CB C 55 38.100 38.282 -0.182 1
1 565 . 11 1 1 A 56 56 GLY HA2 H 56 3.850 4.064 -0.214 1
1 566 . 11 1 1 A 56 56 GLY HA3 H 56 4.360 4.146 0.214 1
1 567 . 11 1 1 A 56 56 GLY C C 56 173.100 174.707 -1.607 1
1 568 . 11 1 1 A 56 56 GLY CA C 56 45.600 45.668 -0.068 1
1 569 . 11 1 1 A 57 57 GLN H H 57 7.380 7.908 -0.528 1
1 570 . 11 1 1 A 57 57 GLN HA H 57 4.660 4.460 0.200 1
1 576 . 11 1 1 A 57 57 GLN C C 57 173.800 175.097 -1.297 1
1 577 . 11 1 1 A 57 57 GLN CA C 57 53.400 55.348 -1.948 1
1 578 . 11 1 1 A 57 57 GLN CB C 57 31.600 29.967 1.633 1
1 580 . 11 1 1 A 57 57 GLN N N 57 116.300 120.620 -4.320 1
1 582 . 11 1 1 A 58 58 LEU H H 58 8.100 8.143 -0.043 1
1 583 . 11 1 1 A 58 58 LEU HA H 58 3.250 4.625 -1.375 1
1 593 . 11 1 1 A 58 58 LEU C C 58 174.200 175.535 -1.335 1
1 594 . 11 1 1 A 58 58 LEU CA C 58 55.500 54.479 1.021 1
1 595 . 11 1 1 A 58 58 LEU CB C 58 39.900 42.041 -2.141 1
1 599 . 11 1 1 A 58 58 LEU N N 58 124.400 125.748 -1.348 1
1 600 . 11 1 1 A 59 59 ARG H H 59 8.360 8.880 -0.520 1
1 601 . 11 1 1 A 59 59 ARG HA H 59 4.470 4.921 -0.451 1
1 608 . 11 1 1 A 59 59 ARG C C 59 174.000 174.902 -0.902 1
1 609 . 11 1 1 A 59 59 ARG CA C 59 54.200 54.806 -0.606 1
1 610 . 11 1 1 A 59 59 ARG CB C 59 33.000 31.973 1.027 1
1 613 . 11 1 1 A 59 59 ARG N N 59 130.500 128.163 2.337 1
1 614 . 11 1 1 A 60 60 LEU H H 60 8.480 9.090 -0.610 1
1 615 . 11 1 1 A 60 60 LEU HA H 60 5.260 4.773 0.487 1
1 625 . 11 1 1 A 60 60 LEU C C 60 176.000 174.852 1.148 1
1 626 . 11 1 1 A 60 60 LEU CA C 60 52.500 53.987 -1.487 1
1 627 . 11 1 1 A 60 60 LEU CB C 60 44.200 41.931 2.269 1
1 631 . 11 1 1 A 60 60 LEU N N 60 122.400 127.152 -4.752 1
1 632 . 11 1 1 A 61 61 LYS H H 61 8.900 9.126 -0.226 1
1 633 . 11 1 1 A 61 61 LYS HA H 61 4.160 4.556 -0.396 1
1 642 . 11 1 1 A 61 61 LYS C C 61 174.200 175.299 -1.099 1
1 643 . 11 1 1 A 61 61 LYS CA C 61 54.800 54.470 0.330 1
1 644 . 11 1 1 A 61 61 LYS CB C 61 36.600 33.784 2.816 1
1 648 . 11 1 1 A 61 61 LYS N N 61 123.800 125.913 -2.113 1
1 649 . 11 1 1 A 62 62 GLY H H 62 8.140 8.470 -0.330 1
1 650 . 11 1 1 A 62 62 GLY HA2 H 62 4.160 2.960 1.200 1
1 651 . 11 1 1 A 62 62 GLY HA3 H 62 4.160 3.725 0.435 1
1 652 . 11 1 1 A 62 62 GLY C C 62 172.000 171.914 0.086 1
1 653 . 11 1 1 A 62 62 GLY CA C 62 43.000 44.038 -1.038 1
1 654 . 11 1 1 A 62 62 GLY N N 62 114.000 112.572 1.428 1
1 655 . 11 1 1 A 63 63 PHE H H 63 8.500 8.146 0.354 1
1 656 . 11 1 1 A 63 63 PHE HA H 63 4.800 4.801 -0.001 1
1 664 . 11 1 1 A 63 63 PHE C C 63 175.400 174.406 0.994 1
1 665 . 11 1 1 A 63 63 PHE CA C 63 55.800 56.362 -0.562 1
1 666 . 11 1 1 A 63 63 PHE CB C 63 46.200 43.352 2.848 1
1 670 . 11 1 1 A 63 63 PHE N N 63 118.600 121.209 -2.609 1
1 671 . 11 1 1 A 64 64 PHE H H 64 9.930 8.927 1.003 1
1 672 . 11 1 1 A 64 64 PHE HA H 64 5.460 5.143 0.317 1
1 679 . 11 1 1 A 64 64 PHE C C 64 175.600 175.272 0.328 1
1 680 . 11 1 1 A 64 64 PHE CA C 64 57.500 56.966 0.534 1
1 681 . 11 1 1 A 64 64 PHE CB C 64 43.100 41.302 1.798 1
1 684 . 11 1 1 A 64 64 PHE N N 64 120.100 119.076 1.024 1
1 685 . 11 1 1 A 65 65 ASP H H 65 10.950 9.052 1.898 1
1 686 . 11 1 1 A 65 65 ASP HA H 65 4.860 4.500 0.360 1
1 689 . 11 1 1 A 65 65 ASP C C 65 177.400 175.425 1.975 1
1 690 . 11 1 1 A 65 65 ASP CA C 65 56.400 54.447 1.953 1
1 691 . 11 1 1 A 65 65 ASP CB C 65 42.800 41.786 1.014 1
1 692 . 11 1 1 A 65 65 ASP N N 65 123.200 124.119 -0.919 1
1 693 . 11 1 1 A 66 66 ASP H H 66 8.470 8.565 -0.095 1
1 694 . 11 1 1 A 66 66 ASP HA H 66 4.110 5.078 -0.968 1
1 697 . 11 1 1 A 66 66 ASP C C 66 175.300 174.952 0.348 1
1 698 . 11 1 1 A 66 66 ASP CA C 66 57.800 52.603 5.197 1
1 699 . 11 1 1 A 66 66 ASP CB C 66 42.000 44.377 -2.377 1
1 700 . 11 1 1 A 66 66 ASP N N 66 122.800 122.778 0.022 1
1 701 . 11 1 1 A 67 67 GLN H H 67 8.500 8.703 -0.203 1
1 702 . 11 1 1 A 67 67 GLN HA H 67 4.250 3.986 0.264 1
1 707 . 11 1 1 A 67 67 GLN C C 67 175.900 175.103 0.797 1
1 708 . 11 1 1 A 67 67 GLN CA C 67 55.400 57.767 -2.367 1
1 709 . 11 1 1 A 67 67 GLN CB C 67 28.300 27.090 1.210 1
1 711 . 11 1 1 A 68 68 ASN H H 68 7.880 8.062 -0.182 1
1 712 . 11 1 1 A 68 68 ASN HA H 68 4.430 4.759 -0.329 1
1 714 . 11 1 1 A 68 68 ASN CA C 68 53.300 52.377 0.923 1
1 715 . 11 1 1 A 68 68 ASN CB C 68 39.300 36.877 2.423 1
1 716 . 11 1 1 A 68 68 ASN N N 68 121.500 118.857 2.643 1
1 722 . 11 1 1 A 73 73 PHE HA H 73 4.190 4.996 -0.806 1
1 730 . 11 1 1 A 73 73 PHE CA C 73 61.300 55.566 5.734 1
1 731 . 11 1 1 A 73 73 PHE CB C 73 38.600 42.404 -3.804 1
1 735 . 11 1 1 A 74 74 GLU HA H 74 4.290 4.838 -0.548 1
1 738 . 11 1 1 A 74 74 GLU CA C 74 56.800 55.877 0.923 1
1 739 . 11 1 1 A 74 74 GLU CB C 74 29.900 30.385 -0.485 1
1 741 . 11 1 1 A 75 75 THR HA H 75 4.180 4.785 -0.605 1
1 746 . 11 1 1 A 75 75 THR C C 75 174.100 173.467 0.633 1
1 747 . 11 1 1 A 75 75 THR CA C 75 60.700 61.086 -0.386 1
1 748 . 11 1 1 A 75 75 THR CB C 75 69.800 69.315 0.485 1
1 750 . 11 1 1 A 76 76 LYS HA H 76 3.880 4.937 -1.057 1
1 759 . 11 1 1 A 76 76 LYS CA C 76 55.900 54.920 0.980 1
1 760 . 11 1 1 A 76 76 LYS CB C 76 32.100 35.427 -3.327 1
1 764 . 11 1 1 A 77 77 ILE H H 77 9.060 8.835 0.225 1
1 765 . 11 1 1 A 77 77 ILE HA H 77 3.850 4.803 -0.953 1
1 775 . 11 1 1 A 77 77 ILE C C 77 175.900 175.871 0.029 1
1 776 . 11 1 1 A 77 77 ILE CA C 77 59.600 59.685 -0.085 1
1 777 . 11 1 1 A 77 77 ILE CB C 77 38.400 40.833 -2.433 1
1 781 . 11 1 1 A 77 77 ILE N N 77 126.900 127.471 -0.571 1
1 782 . 11 1 1 A 78 78 SER H H 78 8.730 9.164 -0.434 1
1 783 . 11 1 1 A 78 78 SER HA H 78 4.140 4.126 0.014 1
1 786 . 11 1 1 A 78 78 SER C C 78 176.200 176.492 -0.292 1
1 787 . 11 1 1 A 78 78 SER CA C 78 60.800 61.303 -0.503 1
1 788 . 11 1 1 A 78 78 SER CB C 78 61.200 62.930 -1.730 1
1 789 . 11 1 1 A 78 78 SER N N 78 119.000 122.294 -3.294 1
1 790 . 11 1 1 A 79 79 THR H H 79 8.050 7.490 0.560 1
1 791 . 11 1 1 A 79 79 THR HA H 79 4.580 3.942 0.638 1
1 796 . 11 1 1 A 79 79 THR C C 79 174.400 176.245 -1.845 1
1 797 . 11 1 1 A 79 79 THR CA C 79 62.200 65.421 -3.221 1
1 798 . 11 1 1 A 79 79 THR CB C 79 69.300 68.541 0.759 1
1 800 . 11 1 1 A 79 79 THR N N 79 114.300 115.189 -0.889 1
1 801 . 11 1 1 A 80 80 LEU H H 80 7.470 7.702 -0.232 1
1 802 . 11 1 1 A 80 80 LEU HA H 80 3.580 3.519 0.061 1
1 812 . 11 1 1 A 80 80 LEU C C 80 176.500 177.789 -1.289 1
1 813 . 11 1 1 A 80 80 LEU CA C 80 58.400 57.239 1.161 1
1 814 . 11 1 1 A 80 80 LEU CB C 80 41.800 41.744 0.056 1
1 818 . 11 1 1 A 80 80 LEU N N 80 123.200 121.923 1.277 1
1 819 . 11 1 1 A 81 81 ASP H H 81 8.450 8.224 0.226 1
1 820 . 11 1 1 A 81 81 ASP HA H 81 4.060 4.239 -0.179 1
1 823 . 11 1 1 A 81 81 ASP C C 81 178.700 178.175 0.525 1
1 824 . 11 1 1 A 81 81 ASP CA C 81 57.600 57.822 -0.222 1
1 825 . 11 1 1 A 81 81 ASP CB C 81 39.500 42.267 -2.767 1
1 826 . 11 1 1 A 81 81 ASP N N 81 116.000 119.179 -3.179 1
1 827 . 11 1 1 A 82 82 GLU H H 82 7.800 7.578 0.222 1
1 828 . 11 1 1 A 82 82 GLU HA H 82 4.030 3.979 0.051 1
1 833 . 11 1 1 A 82 82 GLU C C 82 178.500 178.871 -0.371 1
1 834 . 11 1 1 A 82 82 GLU CA C 82 59.100 58.951 0.149 1
1 835 . 11 1 1 A 82 82 GLU CB C 82 29.300 29.474 -0.174 1
1 837 . 11 1 1 A 82 82 GLU N N 82 120.400 118.678 1.722 1
1 838 . 11 1 1 A 83 83 TYR H H 83 8.190 7.732 0.458 1
1 839 . 11 1 1 A 83 83 TYR HA H 83 4.410 4.208 0.202 1
1 846 . 11 1 1 A 83 83 TYR C C 83 176.700 177.139 -0.439 1
1 847 . 11 1 1 A 83 83 TYR CA C 83 60.900 61.639 -0.739 1
1 848 . 11 1 1 A 83 83 TYR CB C 83 37.600 38.693 -1.093 1
1 851 . 11 1 1 A 83 83 TYR N N 83 122.900 122.200 0.700 1
1 852 . 11 1 1 A 84 84 ILE H H 84 8.400 8.451 -0.051 1
1 853 . 11 1 1 A 84 84 ILE HA H 84 3.240 3.514 -0.274 1
1 863 . 11 1 1 A 84 84 ILE C C 84 178.000 177.831 0.169 1
1 864 . 11 1 1 A 84 84 ILE CA C 84 60.800 65.018 -4.218 1
1 865 . 11 1 1 A 84 84 ILE CB C 84 35.500 37.488 -1.988 1
1 869 . 11 1 1 A 84 84 ILE N N 84 119.100 120.441 -1.341 1
1 870 . 11 1 1 A 85 85 TYR H H 85 7.820 8.429 -0.609 1
1 871 . 11 1 1 A 85 85 TYR HA H 85 3.910 4.010 -0.100 1
1 878 . 11 1 1 A 85 85 TYR C C 85 176.800 177.811 -1.011 1
1 879 . 11 1 1 A 85 85 TYR CA C 85 60.700 61.093 -0.393 1
1 880 . 11 1 1 A 85 85 TYR CB C 85 37.900 38.849 -0.949 1
1 883 . 11 1 1 A 85 85 TYR N N 85 119.100 121.442 -2.342 1
1 884 . 11 1 1 A 86 86 GLU H H 86 7.660 8.304 -0.644 1
1 885 . 11 1 1 A 86 86 GLU HA H 86 3.690 3.922 -0.232 1
1 890 . 11 1 1 A 86 86 GLU C C 86 177.900 177.646 0.254 1
1 891 . 11 1 1 A 86 86 GLU CA C 86 58.200 58.964 -0.764 1
1 892 . 11 1 1 A 86 86 GLU CB C 86 29.500 29.003 0.497 1
1 894 . 11 1 1 A 86 86 GLU N N 86 116.700 118.568 -1.868 1
1 895 . 11 1 1 A 87 87 TYR H H 87 8.010 7.423 0.587 1
1 896 . 11 1 1 A 87 87 TYR HA H 87 4.090 4.381 -0.291 1
1 903 . 11 1 1 A 87 87 TYR C C 87 176.000 176.879 -0.879 1
1 904 . 11 1 1 A 87 87 TYR CA C 87 60.100 59.310 0.790 1
1 905 . 11 1 1 A 87 87 TYR CB C 87 37.300 39.484 -2.184 1
1 908 . 11 1 1 A 87 87 TYR N N 87 114.900 114.443 0.457 1
1 909 . 11 1 1 A 88 88 CYS H H 88 8.300 8.017 0.283 1
1 910 . 11 1 1 A 88 88 CYS HA H 88 4.760 4.608 0.152 1
1 913 . 11 1 1 A 88 88 CYS CA C 88 53.500 55.536 -2.036 1
1 914 . 11 1 1 A 88 88 CYS CB C 88 42.000 41.519 0.481 1
1 915 . 11 1 1 A 88 88 CYS N N 88 119.700 116.361 3.339 1
1 916 . 11 1 1 A 89 89 ASN C C 89 176.500 174.891 1.609 1
1 917 . 11 1 1 A 90 90 PHE HA H 90 4.590 4.775 -0.185 1
1 925 . 11 1 1 A 90 90 PHE CA C 90 57.400 57.752 -0.352 1
1 926 . 11 1 1 A 90 90 PHE CB C 90 38.200 42.428 -4.228 1
1 930 . 11 1 1 A 92 92 CYS HA H 92 4.660 4.865 -0.205 1
1 933 . 11 1 1 A 92 92 CYS C C 92 172.000 173.009 -1.009 1
1 934 . 11 1 1 A 92 92 CYS CA C 92 55.000 56.188 -1.188 1
1 935 . 11 1 1 A 92 92 CYS CB C 92 47.400 44.376 3.024 1
1 936 . 11 1 1 A 93 93 ALA H H 93 8.670 8.862 -0.192 1
1 937 . 11 1 1 A 93 93 ALA HA H 93 4.520 5.373 -0.853 1
1 941 . 11 1 1 A 93 93 ALA C C 93 177.400 175.452 1.948 1
1 942 . 11 1 1 A 93 93 ALA CA C 93 52.400 51.744 0.656 1
1 943 . 11 1 1 A 93 93 ALA CB C 93 19.800 23.335 -3.535 1
1 944 . 11 1 1 A 93 93 ALA N N 93 126.000 123.315 2.685 1
1 945 . 11 1 1 A 94 94 TYR H H 94 8.460 8.403 0.057 1
1 946 . 11 1 1 A 94 94 TYR HA H 94 5.570 5.667 -0.097 1
1 953 . 11 1 1 A 94 94 TYR C C 94 171.500 173.709 -2.209 1
1 954 . 11 1 1 A 94 94 TYR CA C 94 57.200 56.435 0.765 1
1 955 . 11 1 1 A 94 94 TYR CB C 94 39.800 40.846 -1.046 1
1 958 . 11 1 1 A 94 94 TYR N N 94 116.200 117.273 -1.073 1
1 959 . 11 1 1 A 95 95 PHE H H 95 9.220 8.746 0.474 1
1 960 . 11 1 1 A 95 95 PHE HA H 95 5.280 5.389 -0.109 1
1 967 . 11 1 1 A 95 95 PHE C C 95 172.900 172.476 0.424 1
1 968 . 11 1 1 A 95 95 PHE CA C 95 55.200 56.120 -0.920 1
1 969 . 11 1 1 A 95 95 PHE CB C 95 42.400 42.519 -0.119 1
1 972 . 11 1 1 A 95 95 PHE N N 95 114.100 116.582 -2.482 1
1 973 . 11 1 1 A 96 96 VAL H H 96 9.130 9.282 -0.152 1
1 974 . 11 1 1 A 96 96 VAL HA H 96 4.860 4.903 -0.043 1
1 982 . 11 1 1 A 96 96 VAL C C 96 174.800 174.453 0.347 1
1 983 . 11 1 1 A 96 96 VAL CA C 96 61.400 61.444 -0.044 1
1 984 . 11 1 1 A 96 96 VAL CB C 96 35.100 34.044 1.056 1
1 987 . 11 1 1 A 96 96 VAL N N 96 118.400 121.396 -2.996 1
1 988 . 11 1 1 A 97 97 LEU H H 97 9.610 9.435 0.175 1
1 989 . 11 1 1 A 97 97 LEU HA H 97 5.380 5.484 -0.104 1
1 999 . 11 1 1 A 97 97 LEU C C 97 175.700 175.445 0.255 1
1 1000 . 11 1 1 A 97 97 LEU CA C 97 52.100 53.167 -1.067 1
1 1001 . 11 1 1 A 97 97 LEU CB C 97 44.500 43.347 1.153 1
1 1005 . 11 1 1 A 97 97 LEU N N 97 126.100 128.123 -2.023 1
1 1006 . 11 1 1 A 98 98 LYS H H 98 9.660 9.032 0.628 1
1 1007 . 11 1 1 A 98 98 LYS HA H 98 4.740 4.930 -0.190 1
1 1016 . 11 1 1 A 98 98 LYS C C 98 175.500 176.176 -0.676 1
1 1017 . 11 1 1 A 98 98 LYS CA C 98 54.400 54.424 -0.024 1
1 1018 . 11 1 1 A 98 98 LYS CB C 98 37.500 35.428 2.072 1
1 1022 . 11 1 1 A 98 98 LYS N N 98 123.900 125.688 -1.788 1
1 1023 . 11 1 1 A 99 99 ARG H H 99 8.400 8.580 -0.180 1
1 1024 . 11 1 1 A 99 99 ARG HA H 99 4.040 4.238 -0.198 1
1 1031 . 11 1 1 A 99 99 ARG C C 99 174.800 175.646 -0.846 1
1 1032 . 11 1 1 A 99 99 ARG CA C 99 55.500 57.036 -1.536 1
1 1033 . 11 1 1 A 99 99 ARG CB C 99 30.000 31.037 -1.037 1
1 1036 . 11 1 1 A 99 99 ARG N N 99 128.700 127.595 1.105 1
1 1037 . 11 1 1 A 100 100 ILE H H 100 8.660 8.918 -0.258 1
1 1038 . 11 1 1 A 100 100 ILE HA H 100 4.150 4.577 -0.427 1
1 1048 . 11 1 1 A 100 100 ILE CA C 100 59.100 60.064 -0.964 1
1 1049 . 11 1 1 A 100 100 ILE CB C 100 36.300 40.381 -4.081 1
1 1053 . 11 1 1 A 100 100 ILE N N 100 130.500 126.519 3.981 1
1 1054 . 11 1 1 A 101 101 ARG C C 101 177.000 174.823 2.177 1
1 1055 . 11 1 1 A 102 102 LYS C C 102 178.900 173.780 5.120 1
1 1056 . 11 1 1 A 103 103 LEU HA H 103 4.230 4.719 -0.489 1
1 1066 . 11 1 1 A 103 103 LEU CA C 103 54.900 54.034 0.866 1
1 1067 . 11 1 1 A 103 103 LEU CB C 103 42.100 45.289 -3.189 1
1 1071 . 11 1 1 A 104 104 GLU HA H 104 4.010 4.195 -0.185 1
1 1075 . 11 1 1 A 104 104 GLU CA C 104 58.300 55.797 2.503 1
1 1076 . 11 1 1 A 104 104 GLU CB C 104 28.300 28.906 -0.606 1
1 1 . 12 1 1 A 10 10 GLU HA H 10 4.230 4.573 -0.343 1
1 6 . 12 1 1 A 10 10 GLU C C 10 176.100 174.952 1.148 1
1 7 . 12 1 1 A 10 10 GLU CA C 10 56.800 57.560 -0.760 1
1 8 . 12 1 1 A 10 10 GLU CB C 10 30.400 32.623 -2.223 1
1 10 . 12 1 1 A 11 11 ILE H H 11 8.270 7.878 0.392 1
1 11 . 12 1 1 A 11 11 ILE HA H 11 4.100 4.423 -0.323 1
1 21 . 12 1 1 A 11 11 ILE C C 11 173.900 174.243 -0.343 1
1 22 . 12 1 1 A 11 11 ILE CA C 11 60.900 60.700 0.200 1
1 23 . 12 1 1 A 11 11 ILE CB C 11 38.300 39.487 -1.187 1
1 27 . 12 1 1 A 11 11 ILE N N 11 121.800 119.047 2.753 1
1 28 . 12 1 1 A 12 12 MET H H 12 8.150 8.954 -0.804 1
1 29 . 12 1 1 A 12 12 MET HA H 12 5.250 5.493 -0.243 1
1 37 . 12 1 1 A 12 12 MET C C 12 175.500 174.687 0.813 1
1 38 . 12 1 1 A 12 12 MET CA C 12 53.100 53.548 -0.448 1
1 39 . 12 1 1 A 12 12 MET CB C 12 33.600 34.118 -0.518 1
1 42 . 12 1 1 A 12 12 MET N N 12 125.200 126.010 -0.810 1
1 43 . 12 1 1 A 13 13 ILE H H 13 9.200 9.648 -0.448 1
1 44 . 12 1 1 A 13 13 ILE HA H 13 4.400 4.717 -0.317 1
1 54 . 12 1 1 A 13 13 ILE C C 13 173.500 174.701 -1.201 1
1 55 . 12 1 1 A 13 13 ILE CA C 13 59.600 60.604 -1.004 1
1 56 . 12 1 1 A 13 13 ILE CB C 13 40.500 38.586 1.914 1
1 60 . 12 1 1 A 13 13 ILE N N 13 123.700 126.229 -2.529 1
1 61 . 12 1 1 A 14 14 LEU H H 14 8.550 9.228 -0.678 1
1 62 . 12 1 1 A 14 14 LEU HA H 14 5.200 5.259 -0.059 1
1 72 . 12 1 1 A 14 14 LEU C C 14 176.100 176.100 0.000 1
1 73 . 12 1 1 A 14 14 LEU CA C 14 53.700 53.673 0.027 1
1 74 . 12 1 1 A 14 14 LEU CB C 14 43.700 42.222 1.478 1
1 78 . 12 1 1 A 14 14 LEU N N 14 128.800 129.111 -0.311 1
1 79 . 12 1 1 A 15 15 ILE H H 15 8.780 9.150 -0.370 1
1 80 . 12 1 1 A 15 15 ILE HA H 15 4.350 4.484 -0.134 1
1 90 . 12 1 1 A 15 15 ILE CA C 15 58.700 60.085 -1.385 1
1 91 . 12 1 1 A 15 15 ILE CB C 15 39.800 41.199 -1.399 1
1 95 . 12 1 1 A 15 15 ILE N N 15 123.000 124.086 -1.086 1
1 96 . 12 1 1 A 16 16 GLN HA H 16 3.710 4.124 -0.414 1
1 100 . 12 1 1 A 16 16 GLN CA C 16 57.700 57.482 0.218 1
1 101 . 12 1 1 A 16 16 GLN CB C 16 26.500 27.098 -0.598 1
1 103 . 12 1 1 A 17 17 ASN HA H 17 4.460 4.343 0.117 1
1 108 . 12 1 1 A 17 17 ASN C C 17 173.300 173.852 -0.552 1
1 109 . 12 1 1 A 17 17 ASN CA C 17 53.900 54.808 -0.908 1
1 110 . 12 1 1 A 17 17 ASN CB C 17 38.100 37.002 1.098 1
1 112 . 12 1 1 A 18 18 ALA H H 18 8.450 7.591 0.859 1
1 113 . 12 1 1 A 18 18 ALA HA H 18 4.250 4.927 -0.677 1
1 117 . 12 1 1 A 18 18 ALA C C 18 174.000 174.804 -0.804 1
1 118 . 12 1 1 A 18 18 ALA CA C 18 51.600 50.977 0.623 1
1 119 . 12 1 1 A 18 18 ALA CB C 18 20.500 22.858 -2.358 1
1 120 . 12 1 1 A 18 18 ALA N N 18 125.200 118.554 6.646 1
1 121 . 12 1 1 A 19 19 GLU H H 19 7.930 8.619 -0.689 1
1 122 . 12 1 1 A 19 19 GLU HA H 19 5.000 5.055 -0.055 1
1 127 . 12 1 1 A 19 19 GLU C C 19 174.500 175.091 -0.591 1
1 128 . 12 1 1 A 19 19 GLU CA C 19 54.400 55.166 -0.766 1
1 129 . 12 1 1 A 19 19 GLU CB C 19 32.500 31.933 0.567 1
1 131 . 12 1 1 A 19 19 GLU N N 19 121.700 122.542 -0.842 1
1 132 . 12 1 1 A 20 20 PHE H H 20 9.110 9.309 -0.199 1
1 133 . 12 1 1 A 20 20 PHE HA H 20 5.340 5.435 -0.095 1
1 141 . 12 1 1 A 20 20 PHE C C 20 173.900 174.251 -0.351 1
1 142 . 12 1 1 A 20 20 PHE CA C 20 55.800 56.689 -0.889 1
1 143 . 12 1 1 A 20 20 PHE CB C 20 44.800 43.374 1.426 1
1 147 . 12 1 1 A 20 20 PHE N N 20 120.100 124.811 -4.711 1
1 148 . 12 1 1 A 21 21 GLU H H 21 9.200 8.992 0.208 1
1 149 . 12 1 1 A 21 21 GLU HA H 21 5.040 5.344 -0.304 1
1 154 . 12 1 1 A 21 21 GLU C C 21 176.200 174.856 1.344 1
1 155 . 12 1 1 A 21 21 GLU CA C 21 53.700 54.630 -0.930 1
1 156 . 12 1 1 A 21 21 GLU CB C 21 33.600 33.639 -0.039 1
1 158 . 12 1 1 A 21 21 GLU N N 21 120.800 118.994 1.806 1
1 159 . 12 1 1 A 22 22 LEU H H 22 8.590 8.523 0.067 1
1 160 . 12 1 1 A 22 22 LEU HA H 22 4.420 4.250 0.170 1
1 170 . 12 1 1 A 22 22 LEU C C 22 175.200 176.889 -1.689 1
1 171 . 12 1 1 A 22 22 LEU CA C 22 54.900 55.166 -0.266 1
1 172 . 12 1 1 A 22 22 LEU CB C 22 41.000 41.704 -0.704 1
1 176 . 12 1 1 A 22 22 LEU N N 22 127.900 125.577 2.323 1
1 177 . 12 1 1 A 23 23 VAL H H 23 8.350 8.768 -0.418 1
1 178 . 12 1 1 A 23 23 VAL HA H 23 4.460 4.366 0.094 1
1 186 . 12 1 1 A 23 23 VAL C C 23 175.500 175.658 -0.158 1
1 187 . 12 1 1 A 23 23 VAL CA C 23 62.100 62.353 -0.253 1
1 188 . 12 1 1 A 23 23 VAL CB C 23 32.600 32.793 -0.193 1
1 191 . 12 1 1 A 23 23 VAL N N 23 122.700 122.048 0.652 1
1 192 . 12 1 1 A 24 24 HIS H H 24 7.590 7.102 0.488 1
1 193 . 12 1 1 A 24 24 HIS HA H 24 4.750 4.823 -0.073 1
1 197 . 12 1 1 A 24 24 HIS CA C 24 56.800 56.357 0.443 1
1 198 . 12 1 1 A 24 24 HIS CB C 24 34.800 32.967 1.833 1
1 200 . 12 1 1 A 24 24 HIS N N 24 118.300 120.609 -2.309 1
1 201 . 12 1 1 A 25 25 ASN HA H 25 5.070 5.244 -0.174 1
1 206 . 12 1 1 A 25 25 ASN C C 25 172.500 173.099 -0.599 1
1 207 . 12 1 1 A 25 25 ASN CA C 25 52.000 51.906 0.094 1
1 208 . 12 1 1 A 25 25 ASN CB C 25 40.400 42.782 -2.382 1
1 210 . 12 1 1 A 26 26 PHE H H 26 9.000 8.948 0.052 1
1 211 . 12 1 1 A 26 26 PHE HA H 26 4.540 4.714 -0.174 1
1 219 . 12 1 1 A 26 26 PHE C C 26 174.500 174.658 -0.158 1
1 220 . 12 1 1 A 26 26 PHE CA C 26 57.100 57.098 0.002 1
1 221 . 12 1 1 A 26 26 PHE CB C 26 40.900 42.004 -1.104 1
1 225 . 12 1 1 A 26 26 PHE N N 26 128.200 125.330 2.870 1
1 226 . 12 1 1 A 27 27 LYS H H 27 8.700 9.350 -0.650 1
1 227 . 12 1 1 A 27 27 LYS HA H 27 3.290 3.640 -0.350 1
1 236 . 12 1 1 A 27 27 LYS C C 27 174.500 175.532 -1.032 1
1 237 . 12 1 1 A 27 27 LYS CA C 27 56.800 57.060 -0.260 1
1 238 . 12 1 1 A 27 27 LYS CB C 27 29.500 29.582 -0.082 1
1 242 . 12 1 1 A 27 27 LYS N N 27 126.000 127.546 -1.546 1
1 243 . 12 1 1 A 28 28 ASP H H 28 8.560 8.132 0.428 1
1 244 . 12 1 1 A 28 28 ASP HA H 28 4.080 4.495 -0.415 1
1 247 . 12 1 1 A 28 28 ASP C C 28 174.700 177.122 -2.422 1
1 248 . 12 1 1 A 28 28 ASP CA C 28 54.800 55.549 -0.749 1
1 249 . 12 1 1 A 28 28 ASP CB C 28 39.100 39.085 0.015 1
1 250 . 12 1 1 A 28 28 ASP N N 28 112.300 111.068 1.232 1
1 251 . 12 1 1 A 29 29 GLY H H 29 7.160 7.866 -0.706 1
1 252 . 12 1 1 A 29 29 GLY HA2 H 29 3.490 4.041 -0.551 1
1 253 . 12 1 1 A 29 29 GLY HA3 H 29 3.780 4.194 -0.414 1
1 254 . 12 1 1 A 29 29 GLY C C 29 174.800 174.527 0.273 1
1 255 . 12 1 1 A 29 29 GLY CA C 29 47.600 45.933 1.667 1
1 256 . 12 1 1 A 29 29 GLY N N 29 101.900 106.164 -4.264 1
1 257 . 12 1 1 A 30 30 PHE H H 30 9.400 7.871 1.529 1
1 258 . 12 1 1 A 30 30 PHE HA H 30 3.380 4.204 -0.824 1
1 266 . 12 1 1 A 30 30 PHE CA C 30 60.700 56.788 3.912 1
1 267 . 12 1 1 A 30 30 PHE CB C 30 37.700 39.073 -1.373 1
1 271 . 12 1 1 A 30 30 PHE N N 30 120.800 121.432 -0.632 1
1 272 . 12 1 1 A 31 31 ASN H H 31 5.090 8.366 -3.276 1
1 273 . 12 1 1 A 31 31 ASN HA H 31 4.220 4.745 -0.525 1
1 276 . 12 1 1 A 31 31 ASN CA C 31 52.400 51.392 1.008 1
1 277 . 12 1 1 A 31 31 ASN CB C 31 41.100 39.714 1.386 1
1 278 . 12 1 1 A 31 31 ASN N N 31 125.400 125.524 -0.124 1
1 279 . 12 1 1 A 32 32 GLU HA H 32 3.290 3.458 -0.168 1
1 284 . 12 1 1 A 32 32 GLU C C 32 176.900 177.934 -1.034 1
1 285 . 12 1 1 A 32 32 GLU CA C 32 60.600 59.877 0.723 1
1 286 . 12 1 1 A 32 32 GLU CB C 32 29.500 29.332 0.168 1
1 288 . 12 1 1 A 33 33 GLU H H 33 8.320 8.370 -0.050 1
1 289 . 12 1 1 A 33 33 GLU HA H 33 3.880 4.044 -0.164 1
1 294 . 12 1 1 A 33 33 GLU C C 33 179.300 178.512 0.788 1
1 295 . 12 1 1 A 33 33 GLU CA C 33 59.600 59.197 0.403 1
1 296 . 12 1 1 A 33 33 GLU CB C 33 28.700 29.392 -0.692 1
1 298 . 12 1 1 A 33 33 GLU N N 33 119.000 117.587 1.413 1
1 299 . 12 1 1 A 34 34 ALA H H 34 8.330 7.635 0.695 1
1 300 . 12 1 1 A 34 34 ALA HA H 34 4.130 4.083 0.047 1
1 304 . 12 1 1 A 34 34 ALA C C 34 179.600 179.522 0.078 1
1 305 . 12 1 1 A 34 34 ALA CA C 34 54.400 55.038 -0.638 1
1 306 . 12 1 1 A 34 34 ALA CB C 34 18.400 18.452 -0.052 1
1 307 . 12 1 1 A 34 34 ALA N N 34 122.200 122.172 0.028 1
1 308 . 12 1 1 A 35 35 PHE H H 35 8.040 8.426 -0.386 1
1 309 . 12 1 1 A 35 35 PHE HA H 35 4.020 4.088 -0.068 1
1 317 . 12 1 1 A 35 35 PHE C C 35 176.100 177.699 -1.599 1
1 318 . 12 1 1 A 35 35 PHE CA C 35 61.000 61.523 -0.523 1
1 319 . 12 1 1 A 35 35 PHE CB C 35 39.000 39.405 -0.405 1
1 323 . 12 1 1 A 35 35 PHE N N 35 117.100 119.981 -2.881 1
1 324 . 12 1 1 A 36 36 LYS H H 36 8.490 8.619 -0.129 1
1 325 . 12 1 1 A 36 36 LYS HA H 36 3.320 3.891 -0.571 1
1 334 . 12 1 1 A 36 36 LYS C C 36 178.000 178.420 -0.420 1
1 335 . 12 1 1 A 36 36 LYS CA C 36 59.800 58.650 1.150 1
1 336 . 12 1 1 A 36 36 LYS CB C 36 32.100 31.334 0.766 1
1 340 . 12 1 1 A 36 36 LYS N N 36 118.100 118.159 -0.059 1
1 341 . 12 1 1 A 37 37 ALA H H 37 7.450 7.851 -0.401 1
1 342 . 12 1 1 A 37 37 ALA HA H 37 4.130 4.130 0.000 1
1 346 . 12 1 1 A 37 37 ALA C C 37 178.500 178.621 -0.121 1
1 347 . 12 1 1 A 37 37 ALA CA C 37 53.600 54.608 -1.008 1
1 348 . 12 1 1 A 37 37 ALA CB C 37 18.500 18.433 0.067 1
1 349 . 12 1 1 A 37 37 ALA N N 37 117.700 122.192 -4.492 1
1 350 . 12 1 1 A 38 38 ARG H H 38 7.160 7.374 -0.214 1
1 351 . 12 1 1 A 38 38 ARG HA H 38 4.340 4.300 0.040 1
1 358 . 12 1 1 A 38 38 ARG C C 38 175.400 175.716 -0.316 1
1 359 . 12 1 1 A 38 38 ARG CA C 38 54.200 56.191 -1.991 1
1 360 . 12 1 1 A 38 38 ARG CB C 38 31.400 31.094 0.306 1
1 363 . 12 1 1 A 38 38 ARG N N 38 114.800 115.151 -0.351 1
1 364 . 12 1 1 A 39 39 TYR H H 39 7.510 7.523 -0.013 1
1 365 . 12 1 1 A 39 39 TYR HA H 39 3.350 4.226 -0.876 1
1 372 . 12 1 1 A 39 39 TYR C C 39 173.700 174.990 -1.290 1
1 373 . 12 1 1 A 39 39 TYR CA C 39 60.800 59.324 1.476 1
1 374 . 12 1 1 A 39 39 TYR CB C 39 38.000 38.827 -0.827 1
1 377 . 12 1 1 A 39 39 TYR N N 39 122.600 122.496 0.104 1
1 378 . 12 1 1 A 40 40 SER H H 40 5.730 7.838 -2.108 1
1 379 . 12 1 1 A 40 40 SER HA H 40 4.470 4.781 -0.311 1
1 382 . 12 1 1 A 40 40 SER CA C 40 56.100 55.814 0.286 1
1 383 . 12 1 1 A 40 40 SER CB C 40 65.100 65.039 0.061 1
1 384 . 12 1 1 A 40 40 SER N N 40 119.100 121.334 -2.234 1
1 385 . 12 1 1 A 41 41 ASP HA H 41 4.210 4.361 -0.151 1
1 388 . 12 1 1 A 41 41 ASP CA C 41 56.700 56.485 0.215 1
1 389 . 12 1 1 A 41 41 ASP CB C 41 40.500 40.050 0.450 1
1 390 . 12 1 1 A 42 42 ILE HA H 42 4.030 3.848 0.182 1
1 400 . 12 1 1 A 42 42 ILE C C 42 176.600 177.366 -0.766 1
1 401 . 12 1 1 A 42 42 ILE CA C 42 63.200 62.931 0.269 1
1 402 . 12 1 1 A 42 42 ILE CB C 42 37.600 37.551 0.049 1
1 406 . 12 1 1 A 43 43 LEU H H 43 7.700 7.503 0.197 1
1 407 . 12 1 1 A 43 43 LEU HA H 43 4.560 4.654 -0.094 1
1 417 . 12 1 1 A 43 43 LEU C C 43 178.000 179.043 -1.043 1
1 418 . 12 1 1 A 43 43 LEU CA C 43 54.700 55.272 -0.572 1
1 419 . 12 1 1 A 43 43 LEU CB C 43 40.800 42.228 -1.428 1
1 423 . 12 1 1 A 43 43 LEU N N 43 117.500 120.194 -2.694 1
1 424 . 12 1 1 A 44 44 ASN H H 44 7.870 7.861 0.009 1
1 425 . 12 1 1 A 44 44 ASN HA H 44 4.480 5.115 -0.635 1
1 428 . 12 1 1 A 44 44 ASN CA C 44 55.300 55.767 -0.467 1
1 429 . 12 1 1 A 44 44 ASN CB C 44 38.200 39.028 -0.828 1
1 430 . 12 1 1 A 44 44 ASN N N 44 118.400 118.315 0.085 1
1 431 . 12 1 1 A 45 45 LYS HA H 45 4.200 4.187 0.013 1
1 440 . 12 1 1 A 45 45 LYS C C 45 176.200 177.797 -1.597 1
1 441 . 12 1 1 A 45 45 LYS CA C 45 56.500 58.189 -1.689 1
1 442 . 12 1 1 A 45 45 LYS CB C 45 32.000 31.580 0.420 1
1 446 . 12 1 1 A 46 46 TYR H H 46 6.770 7.573 -0.803 1
1 447 . 12 1 1 A 46 46 TYR HA H 46 3.900 4.029 -0.129 1
1 454 . 12 1 1 A 46 46 TYR C C 46 175.500 175.503 -0.003 1
1 455 . 12 1 1 A 46 46 TYR CA C 46 59.200 60.037 -0.837 1
1 456 . 12 1 1 A 46 46 TYR CB C 46 38.700 38.458 0.242 1
1 459 . 12 1 1 A 46 46 TYR N N 46 117.400 118.810 -1.410 1
1 460 . 12 1 1 A 47 47 ASP H H 47 7.540 8.169 -0.629 1
1 461 . 12 1 1 A 47 47 ASP HA H 47 4.880 4.382 0.498 1
1 464 . 12 1 1 A 47 47 ASP C C 47 175.100 174.307 0.793 1
1 465 . 12 1 1 A 47 47 ASP CA C 47 56.100 55.720 0.380 1
1 466 . 12 1 1 A 47 47 ASP CB C 47 43.100 39.579 3.521 1
1 467 . 12 1 1 A 47 47 ASP N N 47 118.300 117.108 1.192 1
1 468 . 12 1 1 A 48 48 TYR H H 48 8.640 8.108 0.532 1
1 469 . 12 1 1 A 48 48 TYR HA H 48 5.670 5.701 -0.031 1
1 476 . 12 1 1 A 48 48 TYR C C 48 174.700 174.892 -0.192 1
1 477 . 12 1 1 A 48 48 TYR CA C 48 55.900 56.828 -0.928 1
1 478 . 12 1 1 A 48 48 TYR CB C 48 43.500 42.006 1.494 1
1 481 . 12 1 1 A 48 48 TYR N N 48 116.700 118.388 -1.688 1
1 482 . 12 1 1 A 49 49 ILE H H 49 9.130 9.231 -0.101 1
1 483 . 12 1 1 A 49 49 ILE HA H 49 4.660 4.882 -0.222 1
1 493 . 12 1 1 A 49 49 ILE C C 49 173.900 174.727 -0.827 1
1 494 . 12 1 1 A 49 49 ILE CA C 49 59.400 60.214 -0.814 1
1 495 . 12 1 1 A 49 49 ILE CB C 49 40.700 40.617 0.083 1
1 499 . 12 1 1 A 49 49 ILE N N 49 119.500 124.015 -4.515 1
1 500 . 12 1 1 A 50 50 VAL H H 50 9.220 8.888 0.332 1
1 501 . 12 1 1 A 50 50 VAL HA H 50 4.860 5.122 -0.262 1
1 509 . 12 1 1 A 50 50 VAL C C 50 175.200 174.872 0.328 1
1 510 . 12 1 1 A 50 50 VAL CA C 50 60.100 60.691 -0.591 1
1 511 . 12 1 1 A 50 50 VAL CB C 50 33.400 33.838 -0.438 1
1 514 . 12 1 1 A 50 50 VAL N N 50 128.600 129.273 -0.673 1
1 515 . 12 1 1 A 51 51 GLY H H 51 7.860 8.050 -0.190 1
1 516 . 12 1 1 A 51 51 GLY HA2 H 51 5.420 3.569 1.851 1
1 517 . 12 1 1 A 51 51 GLY HA3 H 51 2.080 3.979 -1.899 1
1 518 . 12 1 1 A 51 51 GLY C C 51 170.700 171.257 -0.557 1
1 519 . 12 1 1 A 51 51 GLY CA C 51 43.600 44.014 -0.414 1
1 520 . 12 1 1 A 51 51 GLY N N 51 116.100 115.125 0.975 1
1 521 . 12 1 1 A 52 52 ASP H H 52 8.940 8.456 0.484 1
1 522 . 12 1 1 A 52 52 ASP HA H 52 5.540 5.466 0.074 1
1 525 . 12 1 1 A 52 52 ASP C C 52 174.200 175.692 -1.492 1
1 526 . 12 1 1 A 52 52 ASP CA C 52 53.000 52.749 0.251 1
1 527 . 12 1 1 A 52 52 ASP CB C 52 47.100 43.715 3.385 1
1 528 . 12 1 1 A 52 52 ASP N N 52 121.200 122.124 -0.924 1
1 529 . 12 1 1 A 53 53 TRP H H 53 7.980 8.827 -0.847 1
1 530 . 12 1 1 A 53 53 TRP HA H 53 4.950 4.612 0.338 1
1 539 . 12 1 1 A 53 53 TRP C C 53 178.500 177.187 1.313 1
1 540 . 12 1 1 A 53 53 TRP CA C 53 56.200 59.562 -3.362 1
1 541 . 12 1 1 A 53 53 TRP CB C 53 28.500 29.675 -1.175 1
1 547 . 12 1 1 A 53 53 TRP N N 53 119.900 124.528 -4.628 1
1 549 . 12 1 1 A 54 54 GLY H H 54 10.320 8.123 2.197 1
1 550 . 12 1 1 A 54 54 GLY HA2 H 54 4.020 3.748 0.272 1
1 551 . 12 1 1 A 54 54 GLY HA3 H 54 4.020 3.845 0.175 1
1 552 . 12 1 1 A 54 54 GLY CA C 54 48.600 47.287 1.313 1
1 553 . 12 1 1 A 54 54 GLY N N 54 115.400 108.872 6.528 1
1 554 . 12 1 1 A 55 55 TYR HA H 55 4.890 4.721 0.169 1
1 561 . 12 1 1 A 55 55 TYR CA C 55 56.800 58.131 -1.331 1
1 562 . 12 1 1 A 55 55 TYR CB C 55 38.100 39.493 -1.393 1
1 565 . 12 1 1 A 56 56 GLY HA2 H 56 3.850 4.169 -0.319 1
1 566 . 12 1 1 A 56 56 GLY HA3 H 56 4.360 4.410 -0.050 1
1 567 . 12 1 1 A 56 56 GLY C C 56 173.100 174.876 -1.776 1
1 568 . 12 1 1 A 56 56 GLY CA C 56 45.600 45.572 0.028 1
1 569 . 12 1 1 A 57 57 GLN H H 57 7.380 8.017 -0.637 1
1 570 . 12 1 1 A 57 57 GLN HA H 57 4.660 4.559 0.101 1
1 576 . 12 1 1 A 57 57 GLN C C 57 173.800 175.163 -1.363 1
1 577 . 12 1 1 A 57 57 GLN CA C 57 53.400 54.365 -0.965 1
1 578 . 12 1 1 A 57 57 GLN CB C 57 31.600 27.207 4.393 1
1 580 . 12 1 1 A 57 57 GLN N N 57 116.300 120.450 -4.150 1
1 582 . 12 1 1 A 58 58 LEU H H 58 8.100 8.299 -0.199 1
1 583 . 12 1 1 A 58 58 LEU HA H 58 3.250 4.440 -1.190 1
1 593 . 12 1 1 A 58 58 LEU C C 58 174.200 174.627 -0.427 1
1 594 . 12 1 1 A 58 58 LEU CA C 58 55.500 54.734 0.766 1
1 595 . 12 1 1 A 58 58 LEU CB C 58 39.900 41.634 -1.734 1
1 599 . 12 1 1 A 58 58 LEU N N 58 124.400 126.744 -2.344 1
1 600 . 12 1 1 A 59 59 ARG H H 59 8.360 8.451 -0.091 1
1 601 . 12 1 1 A 59 59 ARG HA H 59 4.470 4.911 -0.441 1
1 608 . 12 1 1 A 59 59 ARG C C 59 174.000 174.422 -0.422 1
1 609 . 12 1 1 A 59 59 ARG CA C 59 54.200 54.398 -0.198 1
1 610 . 12 1 1 A 59 59 ARG CB C 59 33.000 33.184 -0.184 1
1 613 . 12 1 1 A 59 59 ARG N N 59 130.500 126.769 3.731 1
1 614 . 12 1 1 A 60 60 LEU H H 60 8.480 8.734 -0.254 1
1 615 . 12 1 1 A 60 60 LEU HA H 60 5.260 5.127 0.133 1
1 625 . 12 1 1 A 60 60 LEU C C 60 176.000 175.172 0.828 1
1 626 . 12 1 1 A 60 60 LEU CA C 60 52.500 53.238 -0.738 1
1 627 . 12 1 1 A 60 60 LEU CB C 60 44.200 43.986 0.214 1
1 631 . 12 1 1 A 60 60 LEU N N 60 122.400 123.580 -1.180 1
1 632 . 12 1 1 A 61 61 LYS H H 61 8.900 9.164 -0.264 1
1 633 . 12 1 1 A 61 61 LYS HA H 61 4.160 4.737 -0.577 1
1 642 . 12 1 1 A 61 61 LYS C C 61 174.200 175.404 -1.204 1
1 643 . 12 1 1 A 61 61 LYS CA C 61 54.800 53.943 0.857 1
1 644 . 12 1 1 A 61 61 LYS CB C 61 36.600 34.903 1.697 1
1 648 . 12 1 1 A 61 61 LYS N N 61 123.800 124.172 -0.372 1
1 649 . 12 1 1 A 62 62 GLY H H 62 8.140 8.431 -0.291 1
1 650 . 12 1 1 A 62 62 GLY HA2 H 62 4.160 2.444 1.716 1
1 651 . 12 1 1 A 62 62 GLY HA3 H 62 4.160 3.568 0.592 1
1 652 . 12 1 1 A 62 62 GLY C C 62 172.000 172.125 -0.125 1
1 653 . 12 1 1 A 62 62 GLY CA C 62 43.000 44.272 -1.272 1
1 654 . 12 1 1 A 62 62 GLY N N 62 114.000 113.158 0.842 1
1 655 . 12 1 1 A 63 63 PHE H H 63 8.500 8.451 0.049 1
1 656 . 12 1 1 A 63 63 PHE HA H 63 4.800 4.950 -0.150 1
1 664 . 12 1 1 A 63 63 PHE C C 63 175.400 174.244 1.156 1
1 665 . 12 1 1 A 63 63 PHE CA C 63 55.800 56.286 -0.486 1
1 666 . 12 1 1 A 63 63 PHE CB C 63 46.200 43.822 2.378 1
1 670 . 12 1 1 A 63 63 PHE N N 63 118.600 121.330 -2.730 1
1 671 . 12 1 1 A 64 64 PHE H H 64 9.930 8.991 0.939 1
1 672 . 12 1 1 A 64 64 PHE HA H 64 5.460 5.255 0.205 1
1 679 . 12 1 1 A 64 64 PHE C C 64 175.600 174.994 0.606 1
1 680 . 12 1 1 A 64 64 PHE CA C 64 57.500 56.945 0.555 1
1 681 . 12 1 1 A 64 64 PHE CB C 64 43.100 42.350 0.750 1
1 684 . 12 1 1 A 64 64 PHE N N 64 120.100 119.287 0.813 1
1 685 . 12 1 1 A 65 65 ASP H H 65 10.950 8.878 2.072 1
1 686 . 12 1 1 A 65 65 ASP HA H 65 4.860 4.432 0.428 1
1 689 . 12 1 1 A 65 65 ASP C C 65 177.400 176.076 1.324 1
1 690 . 12 1 1 A 65 65 ASP CA C 65 56.400 54.413 1.987 1
1 691 . 12 1 1 A 65 65 ASP CB C 65 42.800 40.538 2.262 1
1 692 . 12 1 1 A 65 65 ASP N N 65 123.200 121.413 1.787 1
1 693 . 12 1 1 A 66 66 ASP H H 66 8.470 8.959 -0.489 1
1 694 . 12 1 1 A 66 66 ASP HA H 66 4.110 4.339 -0.229 1
1 697 . 12 1 1 A 66 66 ASP C C 66 175.300 177.109 -1.809 1
1 698 . 12 1 1 A 66 66 ASP CA C 66 57.800 57.469 0.331 1
1 699 . 12 1 1 A 66 66 ASP CB C 66 42.000 40.922 1.078 1
1 700 . 12 1 1 A 66 66 ASP N N 66 122.800 123.915 -1.115 1
1 701 . 12 1 1 A 67 67 GLN H H 67 8.500 7.828 0.672 1
1 702 . 12 1 1 A 67 67 GLN HA H 67 4.250 4.496 -0.246 1
1 707 . 12 1 1 A 67 67 GLN C C 67 175.900 174.802 1.098 1
1 708 . 12 1 1 A 67 67 GLN CA C 67 55.400 54.947 0.453 1
1 709 . 12 1 1 A 67 67 GLN CB C 67 28.300 26.883 1.417 1
1 711 . 12 1 1 A 68 68 ASN H H 68 7.880 9.107 -1.227 1
1 712 . 12 1 1 A 68 68 ASN HA H 68 4.430 4.791 -0.361 1
1 714 . 12 1 1 A 68 68 ASN CA C 68 53.300 52.103 1.197 1
1 715 . 12 1 1 A 68 68 ASN CB C 68 39.300 36.934 2.366 1
1 716 . 12 1 1 A 68 68 ASN N N 68 121.500 123.742 -2.242 1
1 722 . 12 1 1 A 73 73 PHE HA H 73 4.190 4.848 -0.658 1
1 730 . 12 1 1 A 73 73 PHE CA C 73 61.300 55.112 6.188 1
1 731 . 12 1 1 A 73 73 PHE CB C 73 38.600 39.220 -0.620 1
1 735 . 12 1 1 A 74 74 GLU HA H 74 4.290 3.770 0.520 1
1 738 . 12 1 1 A 74 74 GLU CA C 74 56.800 59.553 -2.753 1
1 739 . 12 1 1 A 74 74 GLU CB C 74 29.900 29.549 0.351 1
1 741 . 12 1 1 A 75 75 THR HA H 75 4.180 4.253 -0.073 1
1 746 . 12 1 1 A 75 75 THR C C 75 174.100 174.866 -0.766 1
1 747 . 12 1 1 A 75 75 THR CA C 75 60.700 64.344 -3.644 1
1 748 . 12 1 1 A 75 75 THR CB C 75 69.800 68.775 1.025 1
1 750 . 12 1 1 A 76 76 LYS HA H 76 3.880 4.324 -0.444 1
1 759 . 12 1 1 A 76 76 LYS CA C 76 55.900 55.314 0.586 1
1 760 . 12 1 1 A 76 76 LYS CB C 76 32.100 31.069 1.031 1
1 764 . 12 1 1 A 77 77 ILE H H 77 9.060 7.945 1.115 1
1 765 . 12 1 1 A 77 77 ILE HA H 77 3.850 3.986 -0.136 1
1 775 . 12 1 1 A 77 77 ILE C C 77 175.900 176.704 -0.804 1
1 776 . 12 1 1 A 77 77 ILE CA C 77 59.600 61.501 -1.901 1
1 777 . 12 1 1 A 77 77 ILE CB C 77 38.400 36.603 1.797 1
1 781 . 12 1 1 A 77 77 ILE N N 77 126.900 126.042 0.858 1
1 782 . 12 1 1 A 78 78 SER H H 78 8.730 8.670 0.060 1
1 783 . 12 1 1 A 78 78 SER HA H 78 4.140 4.008 0.132 1
1 786 . 12 1 1 A 78 78 SER C C 78 176.200 176.749 -0.549 1
1 787 . 12 1 1 A 78 78 SER CA C 78 60.800 61.670 -0.870 1
1 788 . 12 1 1 A 78 78 SER CB C 78 61.200 63.353 -2.153 1
1 789 . 12 1 1 A 78 78 SER N N 78 119.000 124.449 -5.449 1
1 790 . 12 1 1 A 79 79 THR H H 79 8.050 8.081 -0.031 1
1 791 . 12 1 1 A 79 79 THR HA H 79 4.580 4.232 0.348 1
1 796 . 12 1 1 A 79 79 THR C C 79 174.400 176.426 -2.026 1
1 797 . 12 1 1 A 79 79 THR CA C 79 62.200 65.522 -3.322 1
1 798 . 12 1 1 A 79 79 THR CB C 79 69.300 68.811 0.489 1
1 800 . 12 1 1 A 79 79 THR N N 79 114.300 114.879 -0.579 1
1 801 . 12 1 1 A 80 80 LEU H H 80 7.470 7.767 -0.297 1
1 802 . 12 1 1 A 80 80 LEU HA H 80 3.580 3.388 0.192 1
1 812 . 12 1 1 A 80 80 LEU C C 80 176.500 177.769 -1.269 1
1 813 . 12 1 1 A 80 80 LEU CA C 80 58.400 57.298 1.102 1
1 814 . 12 1 1 A 80 80 LEU CB C 80 41.800 41.411 0.389 1
1 818 . 12 1 1 A 80 80 LEU N N 80 123.200 121.903 1.297 1
1 819 . 12 1 1 A 81 81 ASP H H 81 8.450 8.228 0.222 1
1 820 . 12 1 1 A 81 81 ASP HA H 81 4.060 4.192 -0.132 1
1 823 . 12 1 1 A 81 81 ASP C C 81 178.700 178.403 0.297 1
1 824 . 12 1 1 A 81 81 ASP CA C 81 57.600 57.972 -0.372 1
1 825 . 12 1 1 A 81 81 ASP CB C 81 39.500 42.151 -2.651 1
1 826 . 12 1 1 A 81 81 ASP N N 81 116.000 119.160 -3.160 1
1 827 . 12 1 1 A 82 82 GLU H H 82 7.800 8.088 -0.288 1
1 828 . 12 1 1 A 82 82 GLU HA H 82 4.030 4.085 -0.055 1
1 833 . 12 1 1 A 82 82 GLU C C 82 178.500 178.772 -0.272 1
1 834 . 12 1 1 A 82 82 GLU CA C 82 59.100 59.508 -0.408 1
1 835 . 12 1 1 A 82 82 GLU CB C 82 29.300 29.530 -0.230 1
1 837 . 12 1 1 A 82 82 GLU N N 82 120.400 118.861 1.539 1
1 838 . 12 1 1 A 83 83 TYR H H 83 8.190 7.708 0.482 1
1 839 . 12 1 1 A 83 83 TYR HA H 83 4.410 4.394 0.016 1
1 846 . 12 1 1 A 83 83 TYR C C 83 176.700 177.251 -0.551 1
1 847 . 12 1 1 A 83 83 TYR CA C 83 60.900 61.416 -0.516 1
1 848 . 12 1 1 A 83 83 TYR CB C 83 37.600 38.681 -1.081 1
1 851 . 12 1 1 A 83 83 TYR N N 83 122.900 122.011 0.889 1
1 852 . 12 1 1 A 84 84 ILE H H 84 8.400 8.824 -0.424 1
1 853 . 12 1 1 A 84 84 ILE HA H 84 3.240 3.611 -0.371 1
1 863 . 12 1 1 A 84 84 ILE C C 84 178.000 177.674 0.326 1
1 864 . 12 1 1 A 84 84 ILE CA C 84 60.800 65.207 -4.407 1
1 865 . 12 1 1 A 84 84 ILE CB C 84 35.500 37.675 -2.175 1
1 869 . 12 1 1 A 84 84 ILE N N 84 119.100 120.741 -1.641 1
1 870 . 12 1 1 A 85 85 TYR H H 85 7.820 8.470 -0.650 1
1 871 . 12 1 1 A 85 85 TYR HA H 85 3.910 4.035 -0.125 1
1 878 . 12 1 1 A 85 85 TYR C C 85 176.800 177.838 -1.038 1
1 879 . 12 1 1 A 85 85 TYR CA C 85 60.700 61.188 -0.488 1
1 880 . 12 1 1 A 85 85 TYR CB C 85 37.900 38.640 -0.740 1
1 883 . 12 1 1 A 85 85 TYR N N 85 119.100 121.182 -2.082 1
1 884 . 12 1 1 A 86 86 GLU H H 86 7.660 8.003 -0.343 1
1 885 . 12 1 1 A 86 86 GLU HA H 86 3.690 3.981 -0.291 1
1 890 . 12 1 1 A 86 86 GLU C C 86 177.900 178.278 -0.378 1
1 891 . 12 1 1 A 86 86 GLU CA C 86 58.200 58.760 -0.560 1
1 892 . 12 1 1 A 86 86 GLU CB C 86 29.500 29.855 -0.355 1
1 894 . 12 1 1 A 86 86 GLU N N 86 116.700 118.538 -1.838 1
1 895 . 12 1 1 A 87 87 TYR H H 87 8.010 7.609 0.401 1
1 896 . 12 1 1 A 87 87 TYR HA H 87 4.090 4.260 -0.170 1
1 903 . 12 1 1 A 87 87 TYR C C 87 176.000 177.108 -1.108 1
1 904 . 12 1 1 A 87 87 TYR CA C 87 60.100 60.333 -0.233 1
1 905 . 12 1 1 A 87 87 TYR CB C 87 37.300 39.115 -1.815 1
1 908 . 12 1 1 A 87 87 TYR N N 87 114.900 117.774 -2.874 1
1 909 . 12 1 1 A 88 88 CYS H H 88 8.300 7.760 0.540 1
1 910 . 12 1 1 A 88 88 CYS HA H 88 4.760 4.636 0.124 1
1 913 . 12 1 1 A 88 88 CYS CA C 88 53.500 55.244 -1.744 1
1 914 . 12 1 1 A 88 88 CYS CB C 88 42.000 41.248 0.752 1
1 915 . 12 1 1 A 88 88 CYS N N 88 119.700 116.494 3.206 1
1 916 . 12 1 1 A 89 89 ASN C C 89 176.500 174.981 1.519 1
1 917 . 12 1 1 A 90 90 PHE HA H 90 4.590 4.779 -0.189 1
1 925 . 12 1 1 A 90 90 PHE CA C 90 57.400 57.687 -0.287 1
1 926 . 12 1 1 A 90 90 PHE CB C 90 38.200 42.474 -4.274 1
1 930 . 12 1 1 A 92 92 CYS HA H 92 4.660 4.749 -0.089 1
1 933 . 12 1 1 A 92 92 CYS C C 92 172.000 172.938 -0.938 1
1 934 . 12 1 1 A 92 92 CYS CA C 92 55.000 55.797 -0.797 1
1 935 . 12 1 1 A 92 92 CYS CB C 92 47.400 44.162 3.238 1
1 936 . 12 1 1 A 93 93 ALA H H 93 8.670 8.867 -0.197 1
1 937 . 12 1 1 A 93 93 ALA HA H 93 4.520 4.919 -0.399 1
1 941 . 12 1 1 A 93 93 ALA C C 93 177.400 175.520 1.880 1
1 942 . 12 1 1 A 93 93 ALA CA C 93 52.400 51.671 0.729 1
1 943 . 12 1 1 A 93 93 ALA CB C 93 19.800 19.926 -0.126 1
1 944 . 12 1 1 A 93 93 ALA N N 93 126.000 123.010 2.990 1
1 945 . 12 1 1 A 94 94 TYR H H 94 8.460 8.737 -0.277 1
1 946 . 12 1 1 A 94 94 TYR HA H 94 5.570 6.312 -0.742 1
1 953 . 12 1 1 A 94 94 TYR C C 94 171.500 173.330 -1.830 1
1 954 . 12 1 1 A 94 94 TYR CA C 94 57.200 55.232 1.968 1
1 955 . 12 1 1 A 94 94 TYR CB C 94 39.800 41.998 -2.198 1
1 958 . 12 1 1 A 94 94 TYR N N 94 116.200 121.185 -4.985 1
1 959 . 12 1 1 A 95 95 PHE H H 95 9.220 9.079 0.141 1
1 960 . 12 1 1 A 95 95 PHE HA H 95 5.280 5.552 -0.272 1
1 967 . 12 1 1 A 95 95 PHE C C 95 172.900 172.803 0.097 1
1 968 . 12 1 1 A 95 95 PHE CA C 95 55.200 55.497 -0.297 1
1 969 . 12 1 1 A 95 95 PHE CB C 95 42.400 42.949 -0.549 1
1 972 . 12 1 1 A 95 95 PHE N N 95 114.100 116.873 -2.773 1
1 973 . 12 1 1 A 96 96 VAL H H 96 9.130 9.383 -0.253 1
1 974 . 12 1 1 A 96 96 VAL HA H 96 4.860 4.899 -0.039 1
1 982 . 12 1 1 A 96 96 VAL C C 96 174.800 174.468 0.332 1
1 983 . 12 1 1 A 96 96 VAL CA C 96 61.400 61.466 -0.066 1
1 984 . 12 1 1 A 96 96 VAL CB C 96 35.100 33.864 1.236 1
1 987 . 12 1 1 A 96 96 VAL N N 96 118.400 121.454 -3.054 1
1 988 . 12 1 1 A 97 97 LEU H H 97 9.610 9.302 0.308 1
1 989 . 12 1 1 A 97 97 LEU HA H 97 5.380 5.317 0.063 1
1 999 . 12 1 1 A 97 97 LEU C C 97 175.700 175.492 0.208 1
1 1000 . 12 1 1 A 97 97 LEU CA C 97 52.100 53.094 -0.994 1
1 1001 . 12 1 1 A 97 97 LEU CB C 97 44.500 43.789 0.711 1
1 1005 . 12 1 1 A 97 97 LEU N N 97 126.100 128.191 -2.091 1
1 1006 . 12 1 1 A 98 98 LYS H H 98 9.660 8.904 0.756 1
1 1007 . 12 1 1 A 98 98 LYS HA H 98 4.740 4.873 -0.133 1
1 1016 . 12 1 1 A 98 98 LYS C C 98 175.500 175.811 -0.311 1
1 1017 . 12 1 1 A 98 98 LYS CA C 98 54.400 54.451 -0.051 1
1 1018 . 12 1 1 A 98 98 LYS CB C 98 37.500 35.123 2.377 1
1 1022 . 12 1 1 A 98 98 LYS N N 98 123.900 125.215 -1.315 1
1 1023 . 12 1 1 A 99 99 ARG H H 99 8.400 8.708 -0.308 1
1 1024 . 12 1 1 A 99 99 ARG HA H 99 4.040 4.012 0.028 1
1 1031 . 12 1 1 A 99 99 ARG C C 99 174.800 176.770 -1.970 1
1 1032 . 12 1 1 A 99 99 ARG CA C 99 55.500 56.349 -0.849 1
1 1033 . 12 1 1 A 99 99 ARG CB C 99 30.000 30.275 -0.275 1
1 1036 . 12 1 1 A 99 99 ARG N N 99 128.700 126.531 2.169 1
1 1037 . 12 1 1 A 100 100 ILE H H 100 8.660 8.781 -0.121 1
1 1038 . 12 1 1 A 100 100 ILE HA H 100 4.150 3.698 0.452 1
1 1048 . 12 1 1 A 100 100 ILE CA C 100 59.100 64.403 -5.303 1
1 1049 . 12 1 1 A 100 100 ILE CB C 100 36.300 37.921 -1.621 1
1 1053 . 12 1 1 A 100 100 ILE N N 100 130.500 126.254 4.246 1
1 1054 . 12 1 1 A 101 101 ARG C C 101 177.000 174.853 2.147 1
1 1055 . 12 1 1 A 102 102 LYS C C 102 178.900 174.416 4.484 1
1 1056 . 12 1 1 A 103 103 LEU HA H 103 4.230 4.972 -0.742 1
1 1066 . 12 1 1 A 103 103 LEU CA C 103 54.900 53.949 0.951 1
1 1067 . 12 1 1 A 103 103 LEU CB C 103 42.100 45.651 -3.551 1
1 1071 . 12 1 1 A 104 104 GLU HA H 104 4.010 4.345 -0.335 1
1 1075 . 12 1 1 A 104 104 GLU CA C 104 58.300 56.004 2.296 1
1 1076 . 12 1 1 A 104 104 GLU CB C 104 28.300 29.273 -0.973 1
1 1 . 13 1 1 A 10 10 GLU HA H 10 4.230 4.090 0.140 1
1 6 . 13 1 1 A 10 10 GLU C C 10 176.100 176.004 0.096 1
1 7 . 13 1 1 A 10 10 GLU CA C 10 56.800 58.912 -2.112 1
1 8 . 13 1 1 A 10 10 GLU CB C 10 30.400 30.127 0.273 1
1 10 . 13 1 1 A 11 11 ILE H H 11 8.270 8.114 0.156 1
1 11 . 13 1 1 A 11 11 ILE HA H 11 4.100 4.276 -0.176 1
1 21 . 13 1 1 A 11 11 ILE C C 11 173.900 174.777 -0.877 1
1 22 . 13 1 1 A 11 11 ILE CA C 11 60.900 60.839 0.061 1
1 23 . 13 1 1 A 11 11 ILE CB C 11 38.300 39.192 -0.892 1
1 27 . 13 1 1 A 11 11 ILE N N 11 121.800 118.727 3.073 1
1 28 . 13 1 1 A 12 12 MET H H 12 8.150 8.634 -0.484 1
1 29 . 13 1 1 A 12 12 MET HA H 12 5.250 5.218 0.032 1
1 37 . 13 1 1 A 12 12 MET C C 12 175.500 175.258 0.242 1
1 38 . 13 1 1 A 12 12 MET CA C 12 53.100 54.465 -1.365 1
1 39 . 13 1 1 A 12 12 MET CB C 12 33.600 33.569 0.031 1
1 42 . 13 1 1 A 12 12 MET N N 12 125.200 126.256 -1.056 1
1 43 . 13 1 1 A 13 13 ILE H H 13 9.200 9.652 -0.452 1
1 44 . 13 1 1 A 13 13 ILE HA H 13 4.400 4.614 -0.214 1
1 54 . 13 1 1 A 13 13 ILE C C 13 173.500 174.733 -1.233 1
1 55 . 13 1 1 A 13 13 ILE CA C 13 59.600 60.939 -1.339 1
1 56 . 13 1 1 A 13 13 ILE CB C 13 40.500 37.866 2.634 1
1 60 . 13 1 1 A 13 13 ILE N N 13 123.700 126.054 -2.354 1
1 61 . 13 1 1 A 14 14 LEU H H 14 8.550 9.164 -0.614 1
1 62 . 13 1 1 A 14 14 LEU HA H 14 5.200 4.997 0.203 1
1 72 . 13 1 1 A 14 14 LEU C C 14 176.100 175.886 0.214 1
1 73 . 13 1 1 A 14 14 LEU CA C 14 53.700 54.053 -0.353 1
1 74 . 13 1 1 A 14 14 LEU CB C 14 43.700 41.417 2.283 1
1 78 . 13 1 1 A 14 14 LEU N N 14 128.800 128.992 -0.192 1
1 79 . 13 1 1 A 15 15 ILE H H 15 8.780 8.967 -0.187 1
1 80 . 13 1 1 A 15 15 ILE HA H 15 4.350 4.496 -0.146 1
1 90 . 13 1 1 A 15 15 ILE CA C 15 58.700 60.078 -1.378 1
1 91 . 13 1 1 A 15 15 ILE CB C 15 39.800 40.936 -1.136 1
1 95 . 13 1 1 A 15 15 ILE N N 15 123.000 124.525 -1.525 1
1 96 . 13 1 1 A 16 16 GLN HA H 16 3.710 4.084 -0.374 1
1 100 . 13 1 1 A 16 16 GLN CA C 16 57.700 57.446 0.254 1
1 101 . 13 1 1 A 16 16 GLN CB C 16 26.500 26.941 -0.441 1
1 103 . 13 1 1 A 17 17 ASN HA H 17 4.460 4.319 0.141 1
1 108 . 13 1 1 A 17 17 ASN C C 17 173.300 173.705 -0.405 1
1 109 . 13 1 1 A 17 17 ASN CA C 17 53.900 54.747 -0.847 1
1 110 . 13 1 1 A 17 17 ASN CB C 17 38.100 36.882 1.218 1
1 112 . 13 1 1 A 18 18 ALA H H 18 8.450 7.730 0.720 1
1 113 . 13 1 1 A 18 18 ALA HA H 18 4.250 4.687 -0.437 1
1 117 . 13 1 1 A 18 18 ALA C C 18 174.000 175.206 -1.206 1
1 118 . 13 1 1 A 18 18 ALA CA C 18 51.600 50.633 0.967 1
1 119 . 13 1 1 A 18 18 ALA CB C 18 20.500 22.019 -1.519 1
1 120 . 13 1 1 A 18 18 ALA N N 18 125.200 119.335 5.865 1
1 121 . 13 1 1 A 19 19 GLU H H 19 7.930 8.718 -0.788 1
1 122 . 13 1 1 A 19 19 GLU HA H 19 5.000 4.833 0.167 1
1 127 . 13 1 1 A 19 19 GLU C C 19 174.500 175.164 -0.664 1
1 128 . 13 1 1 A 19 19 GLU CA C 19 54.400 55.390 -0.990 1
1 129 . 13 1 1 A 19 19 GLU CB C 19 32.500 31.245 1.255 1
1 131 . 13 1 1 A 19 19 GLU N N 19 121.700 123.282 -1.582 1
1 132 . 13 1 1 A 20 20 PHE H H 20 9.110 9.204 -0.094 1
1 133 . 13 1 1 A 20 20 PHE HA H 20 5.340 5.562 -0.222 1
1 141 . 13 1 1 A 20 20 PHE C C 20 173.900 174.397 -0.497 1
1 142 . 13 1 1 A 20 20 PHE CA C 20 55.800 56.755 -0.955 1
1 143 . 13 1 1 A 20 20 PHE CB C 20 44.800 43.747 1.053 1
1 147 . 13 1 1 A 20 20 PHE N N 20 120.100 124.562 -4.462 1
1 148 . 13 1 1 A 21 21 GLU H H 21 9.200 8.791 0.409 1
1 149 . 13 1 1 A 21 21 GLU HA H 21 5.040 5.357 -0.317 1
1 154 . 13 1 1 A 21 21 GLU C C 21 176.200 174.762 1.438 1
1 155 . 13 1 1 A 21 21 GLU CA C 21 53.700 54.660 -0.960 1
1 156 . 13 1 1 A 21 21 GLU CB C 21 33.600 33.594 0.006 1
1 158 . 13 1 1 A 21 21 GLU N N 21 120.800 118.577 2.223 1
1 159 . 13 1 1 A 22 22 LEU H H 22 8.590 8.437 0.153 1
1 160 . 13 1 1 A 22 22 LEU HA H 22 4.420 4.281 0.139 1
1 170 . 13 1 1 A 22 22 LEU C C 22 175.200 176.779 -1.579 1
1 171 . 13 1 1 A 22 22 LEU CA C 22 54.900 55.103 -0.203 1
1 172 . 13 1 1 A 22 22 LEU CB C 22 41.000 41.515 -0.515 1
1 176 . 13 1 1 A 22 22 LEU N N 22 127.900 125.179 2.721 1
1 177 . 13 1 1 A 23 23 VAL H H 23 8.350 8.834 -0.484 1
1 178 . 13 1 1 A 23 23 VAL HA H 23 4.460 4.361 0.099 1
1 186 . 13 1 1 A 23 23 VAL C C 23 175.500 175.954 -0.454 1
1 187 . 13 1 1 A 23 23 VAL CA C 23 62.100 62.451 -0.351 1
1 188 . 13 1 1 A 23 23 VAL CB C 23 32.600 33.100 -0.500 1
1 191 . 13 1 1 A 23 23 VAL N N 23 122.700 121.828 0.872 1
1 192 . 13 1 1 A 24 24 HIS H H 24 7.590 7.328 0.262 1
1 193 . 13 1 1 A 24 24 HIS HA H 24 4.750 4.923 -0.173 1
1 197 . 13 1 1 A 24 24 HIS CA C 24 56.800 55.575 1.225 1
1 198 . 13 1 1 A 24 24 HIS CB C 24 34.800 33.005 1.795 1
1 200 . 13 1 1 A 24 24 HIS N N 24 118.300 120.992 -2.692 1
1 201 . 13 1 1 A 25 25 ASN HA H 25 5.070 5.239 -0.169 1
1 206 . 13 1 1 A 25 25 ASN C C 25 172.500 173.157 -0.657 1
1 207 . 13 1 1 A 25 25 ASN CA C 25 52.000 52.136 -0.136 1
1 208 . 13 1 1 A 25 25 ASN CB C 25 40.400 42.492 -2.092 1
1 210 . 13 1 1 A 26 26 PHE H H 26 9.000 8.873 0.127 1
1 211 . 13 1 1 A 26 26 PHE HA H 26 4.540 4.737 -0.197 1
1 219 . 13 1 1 A 26 26 PHE C C 26 174.500 174.850 -0.350 1
1 220 . 13 1 1 A 26 26 PHE CA C 26 57.100 57.071 0.029 1
1 221 . 13 1 1 A 26 26 PHE CB C 26 40.900 41.662 -0.762 1
1 225 . 13 1 1 A 26 26 PHE N N 26 128.200 126.139 2.061 1
1 226 . 13 1 1 A 27 27 LYS H H 27 8.700 8.900 -0.200 1
1 227 . 13 1 1 A 27 27 LYS HA H 27 3.290 3.765 -0.475 1
1 236 . 13 1 1 A 27 27 LYS C C 27 174.500 175.070 -0.570 1
1 237 . 13 1 1 A 27 27 LYS CA C 27 56.800 57.165 -0.365 1
1 238 . 13 1 1 A 27 27 LYS CB C 27 29.500 31.412 -1.912 1
1 242 . 13 1 1 A 27 27 LYS N N 27 126.000 126.644 -0.644 1
1 243 . 13 1 1 A 28 28 ASP H H 28 8.560 8.445 0.115 1
1 244 . 13 1 1 A 28 28 ASP HA H 28 4.080 4.342 -0.262 1
1 247 . 13 1 1 A 28 28 ASP C C 28 174.700 177.035 -2.335 1
1 248 . 13 1 1 A 28 28 ASP CA C 28 54.800 55.588 -0.788 1
1 249 . 13 1 1 A 28 28 ASP CB C 28 39.100 38.850 0.250 1
1 250 . 13 1 1 A 28 28 ASP N N 28 112.300 112.672 -0.372 1
1 251 . 13 1 1 A 29 29 GLY H H 29 7.160 7.982 -0.822 1
1 252 . 13 1 1 A 29 29 GLY HA2 H 29 3.490 4.021 -0.531 1
1 253 . 13 1 1 A 29 29 GLY HA3 H 29 3.780 4.211 -0.431 1
1 254 . 13 1 1 A 29 29 GLY C C 29 174.800 174.684 0.116 1
1 255 . 13 1 1 A 29 29 GLY CA C 29 47.600 46.168 1.432 1
1 256 . 13 1 1 A 29 29 GLY N N 29 101.900 106.214 -4.314 1
1 257 . 13 1 1 A 30 30 PHE H H 30 9.400 7.453 1.947 1
1 258 . 13 1 1 A 30 30 PHE HA H 30 3.380 3.787 -0.407 1
1 266 . 13 1 1 A 30 30 PHE CA C 30 60.700 58.518 2.182 1
1 267 . 13 1 1 A 30 30 PHE CB C 30 37.700 39.350 -1.650 1
1 271 . 13 1 1 A 30 30 PHE N N 30 120.800 121.581 -0.781 1
1 272 . 13 1 1 A 31 31 ASN H H 31 5.090 7.995 -2.905 1
1 273 . 13 1 1 A 31 31 ASN HA H 31 4.220 4.940 -0.720 1
1 276 . 13 1 1 A 31 31 ASN CA C 31 52.400 51.754 0.646 1
1 277 . 13 1 1 A 31 31 ASN CB C 31 41.100 40.340 0.760 1
1 278 . 13 1 1 A 31 31 ASN N N 31 125.400 123.305 2.095 1
1 279 . 13 1 1 A 32 32 GLU HA H 32 3.290 3.597 -0.307 1
1 284 . 13 1 1 A 32 32 GLU C C 32 176.900 178.061 -1.161 1
1 285 . 13 1 1 A 32 32 GLU CA C 32 60.600 59.578 1.022 1
1 286 . 13 1 1 A 32 32 GLU CB C 32 29.500 29.301 0.199 1
1 288 . 13 1 1 A 33 33 GLU H H 33 8.320 8.323 -0.003 1
1 289 . 13 1 1 A 33 33 GLU HA H 33 3.880 4.090 -0.210 1
1 294 . 13 1 1 A 33 33 GLU C C 33 179.300 178.568 0.732 1
1 295 . 13 1 1 A 33 33 GLU CA C 33 59.600 59.091 0.509 1
1 296 . 13 1 1 A 33 33 GLU CB C 33 28.700 29.337 -0.637 1
1 298 . 13 1 1 A 33 33 GLU N N 33 119.000 117.469 1.531 1
1 299 . 13 1 1 A 34 34 ALA H H 34 8.330 7.618 0.712 1
1 300 . 13 1 1 A 34 34 ALA HA H 34 4.130 4.209 -0.079 1
1 304 . 13 1 1 A 34 34 ALA C C 34 179.600 179.567 0.033 1
1 305 . 13 1 1 A 34 34 ALA CA C 34 54.400 54.971 -0.571 1
1 306 . 13 1 1 A 34 34 ALA CB C 34 18.400 18.512 -0.112 1
1 307 . 13 1 1 A 34 34 ALA N N 34 122.200 122.447 -0.247 1
1 308 . 13 1 1 A 35 35 PHE H H 35 8.040 8.495 -0.455 1
1 309 . 13 1 1 A 35 35 PHE HA H 35 4.020 4.120 -0.100 1
1 317 . 13 1 1 A 35 35 PHE C C 35 176.100 177.291 -1.191 1
1 318 . 13 1 1 A 35 35 PHE CA C 35 61.000 61.848 -0.848 1
1 319 . 13 1 1 A 35 35 PHE CB C 35 39.000 39.511 -0.511 1
1 323 . 13 1 1 A 35 35 PHE N N 35 117.100 120.369 -3.269 1
1 324 . 13 1 1 A 36 36 LYS H H 36 8.490 8.655 -0.165 1
1 325 . 13 1 1 A 36 36 LYS HA H 36 3.320 3.821 -0.501 1
1 334 . 13 1 1 A 36 36 LYS C C 36 178.000 178.586 -0.586 1
1 335 . 13 1 1 A 36 36 LYS CA C 36 59.800 59.048 0.752 1
1 336 . 13 1 1 A 36 36 LYS CB C 36 32.100 31.914 0.186 1
1 340 . 13 1 1 A 36 36 LYS N N 36 118.100 118.466 -0.366 1
1 341 . 13 1 1 A 37 37 ALA H H 37 7.450 7.750 -0.300 1
1 342 . 13 1 1 A 37 37 ALA HA H 37 4.130 4.091 0.039 1
1 346 . 13 1 1 A 37 37 ALA C C 37 178.500 178.409 0.091 1
1 347 . 13 1 1 A 37 37 ALA CA C 37 53.600 54.267 -0.667 1
1 348 . 13 1 1 A 37 37 ALA CB C 37 18.500 18.306 0.194 1
1 349 . 13 1 1 A 37 37 ALA N N 37 117.700 121.411 -3.711 1
1 350 . 13 1 1 A 38 38 ARG H H 38 7.160 7.352 -0.192 1
1 351 . 13 1 1 A 38 38 ARG HA H 38 4.340 4.502 -0.162 1
1 358 . 13 1 1 A 38 38 ARG C C 38 175.400 175.345 0.055 1
1 359 . 13 1 1 A 38 38 ARG CA C 38 54.200 55.237 -1.037 1
1 360 . 13 1 1 A 38 38 ARG CB C 38 31.400 31.030 0.370 1
1 363 . 13 1 1 A 38 38 ARG N N 38 114.800 114.782 0.018 1
1 364 . 13 1 1 A 39 39 TYR H H 39 7.510 7.585 -0.075 1
1 365 . 13 1 1 A 39 39 TYR HA H 39 3.350 4.186 -0.836 1
1 372 . 13 1 1 A 39 39 TYR C C 39 173.700 174.787 -1.087 1
1 373 . 13 1 1 A 39 39 TYR CA C 39 60.800 59.377 1.423 1
1 374 . 13 1 1 A 39 39 TYR CB C 39 38.000 38.828 -0.828 1
1 377 . 13 1 1 A 39 39 TYR N N 39 122.600 123.346 -0.746 1
1 378 . 13 1 1 A 40 40 SER H H 40 5.730 7.690 -1.960 1
1 379 . 13 1 1 A 40 40 SER HA H 40 4.470 4.822 -0.352 1
1 382 . 13 1 1 A 40 40 SER CA C 40 56.100 55.755 0.345 1
1 383 . 13 1 1 A 40 40 SER CB C 40 65.100 64.956 0.144 1
1 384 . 13 1 1 A 40 40 SER N N 40 119.100 122.823 -3.723 1
1 385 . 13 1 1 A 41 41 ASP HA H 41 4.210 4.293 -0.083 1
1 388 . 13 1 1 A 41 41 ASP CA C 41 56.700 57.275 -0.575 1
1 389 . 13 1 1 A 41 41 ASP CB C 41 40.500 40.408 0.092 1
1 390 . 13 1 1 A 42 42 ILE HA H 42 4.030 3.814 0.216 1
1 400 . 13 1 1 A 42 42 ILE C C 42 176.600 177.868 -1.268 1
1 401 . 13 1 1 A 42 42 ILE CA C 42 63.200 63.663 -0.463 1
1 402 . 13 1 1 A 42 42 ILE CB C 42 37.600 37.576 0.024 1
1 406 . 13 1 1 A 43 43 LEU H H 43 7.700 7.698 0.002 1
1 407 . 13 1 1 A 43 43 LEU HA H 43 4.560 4.211 0.349 1
1 417 . 13 1 1 A 43 43 LEU C C 43 178.000 179.285 -1.285 1
1 418 . 13 1 1 A 43 43 LEU CA C 43 54.700 57.976 -3.276 1
1 419 . 13 1 1 A 43 43 LEU CB C 43 40.800 40.676 0.124 1
1 423 . 13 1 1 A 43 43 LEU N N 43 117.500 120.991 -3.491 1
1 424 . 13 1 1 A 44 44 ASN H H 44 7.870 7.999 -0.129 1
1 425 . 13 1 1 A 44 44 ASN HA H 44 4.480 4.824 -0.344 1
1 428 . 13 1 1 A 44 44 ASN CA C 44 55.300 56.635 -1.335 1
1 429 . 13 1 1 A 44 44 ASN CB C 44 38.200 39.813 -1.613 1
1 430 . 13 1 1 A 44 44 ASN N N 44 118.400 118.483 -0.083 1
1 431 . 13 1 1 A 45 45 LYS HA H 45 4.200 4.070 0.130 1
1 440 . 13 1 1 A 45 45 LYS C C 45 176.200 178.365 -2.165 1
1 441 . 13 1 1 A 45 45 LYS CA C 45 56.500 58.805 -2.305 1
1 442 . 13 1 1 A 45 45 LYS CB C 45 32.000 31.839 0.161 1
1 446 . 13 1 1 A 46 46 TYR H H 46 6.770 7.532 -0.762 1
1 447 . 13 1 1 A 46 46 TYR HA H 46 3.900 4.212 -0.312 1
1 454 . 13 1 1 A 46 46 TYR C C 46 175.500 175.200 0.300 1
1 455 . 13 1 1 A 46 46 TYR CA C 46 59.200 58.865 0.335 1
1 456 . 13 1 1 A 46 46 TYR CB C 46 38.700 38.571 0.129 1
1 459 . 13 1 1 A 46 46 TYR N N 46 117.400 116.719 0.681 1
1 460 . 13 1 1 A 47 47 ASP H H 47 7.540 7.760 -0.220 1
1 461 . 13 1 1 A 47 47 ASP HA H 47 4.880 4.439 0.441 1
1 464 . 13 1 1 A 47 47 ASP C C 47 175.100 174.184 0.916 1
1 465 . 13 1 1 A 47 47 ASP CA C 47 56.100 55.802 0.298 1
1 466 . 13 1 1 A 47 47 ASP CB C 47 43.100 39.563 3.537 1
1 467 . 13 1 1 A 47 47 ASP N N 47 118.300 117.450 0.850 1
1 468 . 13 1 1 A 48 48 TYR H H 48 8.640 8.130 0.510 1
1 469 . 13 1 1 A 48 48 TYR HA H 48 5.670 5.575 0.095 1
1 476 . 13 1 1 A 48 48 TYR C C 48 174.700 174.816 -0.116 1
1 477 . 13 1 1 A 48 48 TYR CA C 48 55.900 56.972 -1.072 1
1 478 . 13 1 1 A 48 48 TYR CB C 48 43.500 42.022 1.478 1
1 481 . 13 1 1 A 48 48 TYR N N 48 116.700 118.825 -2.125 1
1 482 . 13 1 1 A 49 49 ILE H H 49 9.130 9.225 -0.095 1
1 483 . 13 1 1 A 49 49 ILE HA H 49 4.660 4.747 -0.087 1
1 493 . 13 1 1 A 49 49 ILE C C 49 173.900 174.962 -1.062 1
1 494 . 13 1 1 A 49 49 ILE CA C 49 59.400 59.942 -0.542 1
1 495 . 13 1 1 A 49 49 ILE CB C 49 40.700 39.625 1.075 1
1 499 . 13 1 1 A 49 49 ILE N N 49 119.500 124.263 -4.763 1
1 500 . 13 1 1 A 50 50 VAL H H 50 9.220 9.014 0.206 1
1 501 . 13 1 1 A 50 50 VAL HA H 50 4.860 4.877 -0.017 1
1 509 . 13 1 1 A 50 50 VAL C C 50 175.200 175.050 0.150 1
1 510 . 13 1 1 A 50 50 VAL CA C 50 60.100 60.844 -0.744 1
1 511 . 13 1 1 A 50 50 VAL CB C 50 33.400 32.963 0.437 1
1 514 . 13 1 1 A 50 50 VAL N N 50 128.600 129.230 -0.630 1
1 515 . 13 1 1 A 51 51 GLY H H 51 7.860 8.465 -0.605 1
1 516 . 13 1 1 A 51 51 GLY HA2 H 51 5.420 3.327 2.093 1
1 517 . 13 1 1 A 51 51 GLY HA3 H 51 2.080 3.907 -1.827 1
1 518 . 13 1 1 A 51 51 GLY C C 51 170.700 171.979 -1.279 1
1 519 . 13 1 1 A 51 51 GLY CA C 51 43.600 44.191 -0.591 1
1 520 . 13 1 1 A 51 51 GLY N N 51 116.100 114.809 1.291 1
1 521 . 13 1 1 A 52 52 ASP H H 52 8.940 8.849 0.091 1
1 522 . 13 1 1 A 52 52 ASP HA H 52 5.540 5.507 0.033 1
1 525 . 13 1 1 A 52 52 ASP C C 52 174.200 175.600 -1.400 1
1 526 . 13 1 1 A 52 52 ASP CA C 52 53.000 52.251 0.749 1
1 527 . 13 1 1 A 52 52 ASP CB C 52 47.100 44.537 2.563 1
1 528 . 13 1 1 A 52 52 ASP N N 52 121.200 121.690 -0.490 1
1 529 . 13 1 1 A 53 53 TRP H H 53 7.980 8.871 -0.891 1
1 530 . 13 1 1 A 53 53 TRP HA H 53 4.950 4.983 -0.033 1
1 539 . 13 1 1 A 53 53 TRP C C 53 178.500 177.447 1.053 1
1 540 . 13 1 1 A 53 53 TRP CA C 53 56.200 57.516 -1.316 1
1 541 . 13 1 1 A 53 53 TRP CB C 53 28.500 30.154 -1.654 1
1 547 . 13 1 1 A 53 53 TRP N N 53 119.900 121.367 -1.467 1
1 549 . 13 1 1 A 54 54 GLY H H 54 10.320 8.307 2.013 1
1 550 . 13 1 1 A 54 54 GLY HA2 H 54 4.020 3.958 0.062 1
1 551 . 13 1 1 A 54 54 GLY HA3 H 54 4.020 3.966 0.054 1
1 552 . 13 1 1 A 54 54 GLY CA C 54 48.600 46.813 1.787 1
1 553 . 13 1 1 A 54 54 GLY N N 54 115.400 109.367 6.033 1
1 554 . 13 1 1 A 55 55 TYR HA H 55 4.890 4.627 0.263 1
1 561 . 13 1 1 A 55 55 TYR CA C 55 56.800 60.801 -4.001 1
1 562 . 13 1 1 A 55 55 TYR CB C 55 38.100 39.047 -0.947 1
1 565 . 13 1 1 A 56 56 GLY HA2 H 56 3.850 3.987 -0.137 1
1 566 . 13 1 1 A 56 56 GLY HA3 H 56 4.360 4.095 0.265 1
1 567 . 13 1 1 A 56 56 GLY C C 56 173.100 174.338 -1.238 1
1 568 . 13 1 1 A 56 56 GLY CA C 56 45.600 45.197 0.403 1
1 569 . 13 1 1 A 57 57 GLN H H 57 7.380 7.922 -0.542 1
1 570 . 13 1 1 A 57 57 GLN HA H 57 4.660 4.881 -0.221 1
1 576 . 13 1 1 A 57 57 GLN C C 57 173.800 174.849 -1.049 1
1 577 . 13 1 1 A 57 57 GLN CA C 57 53.400 53.942 -0.542 1
1 578 . 13 1 1 A 57 57 GLN CB C 57 31.600 31.338 0.262 1
1 580 . 13 1 1 A 57 57 GLN N N 57 116.300 120.331 -4.031 1
1 582 . 13 1 1 A 58 58 LEU H H 58 8.100 8.243 -0.143 1
1 583 . 13 1 1 A 58 58 LEU HA H 58 3.250 3.838 -0.588 1
1 593 . 13 1 1 A 58 58 LEU C C 58 174.200 175.483 -1.283 1
1 594 . 13 1 1 A 58 58 LEU CA C 58 55.500 54.794 0.706 1
1 595 . 13 1 1 A 58 58 LEU CB C 58 39.900 41.667 -1.767 1
1 599 . 13 1 1 A 58 58 LEU N N 58 124.400 122.913 1.487 1
1 600 . 13 1 1 A 59 59 ARG H H 59 8.360 8.716 -0.356 1
1 601 . 13 1 1 A 59 59 ARG HA H 59 4.470 4.932 -0.462 1
1 608 . 13 1 1 A 59 59 ARG C C 59 174.000 174.347 -0.347 1
1 609 . 13 1 1 A 59 59 ARG CA C 59 54.200 54.339 -0.139 1
1 610 . 13 1 1 A 59 59 ARG CB C 59 33.000 32.904 0.096 1
1 613 . 13 1 1 A 59 59 ARG N N 59 130.500 128.123 2.377 1
1 614 . 13 1 1 A 60 60 LEU H H 60 8.480 8.837 -0.357 1
1 615 . 13 1 1 A 60 60 LEU HA H 60 5.260 5.168 0.092 1
1 625 . 13 1 1 A 60 60 LEU C C 60 176.000 174.963 1.037 1
1 626 . 13 1 1 A 60 60 LEU CA C 60 52.500 53.222 -0.722 1
1 627 . 13 1 1 A 60 60 LEU CB C 60 44.200 43.932 0.268 1
1 631 . 13 1 1 A 60 60 LEU N N 60 122.400 127.117 -4.717 1
1 632 . 13 1 1 A 61 61 LYS H H 61 8.900 9.087 -0.187 1
1 633 . 13 1 1 A 61 61 LYS HA H 61 4.160 4.747 -0.587 1
1 642 . 13 1 1 A 61 61 LYS C C 61 174.200 174.701 -0.501 1
1 643 . 13 1 1 A 61 61 LYS CA C 61 54.800 53.918 0.882 1
1 644 . 13 1 1 A 61 61 LYS CB C 61 36.600 35.480 1.120 1
1 648 . 13 1 1 A 61 61 LYS N N 61 123.800 124.852 -1.052 1
1 649 . 13 1 1 A 62 62 GLY H H 62 8.140 8.435 -0.295 1
1 650 . 13 1 1 A 62 62 GLY HA2 H 62 4.160 3.179 0.981 1
1 651 . 13 1 1 A 62 62 GLY HA3 H 62 4.160 3.813 0.347 1
1 652 . 13 1 1 A 62 62 GLY C C 62 172.000 172.012 -0.012 1
1 653 . 13 1 1 A 62 62 GLY CA C 62 43.000 43.911 -0.911 1
1 654 . 13 1 1 A 62 62 GLY N N 62 114.000 112.435 1.565 1
1 655 . 13 1 1 A 63 63 PHE H H 63 8.500 8.495 0.005 1
1 656 . 13 1 1 A 63 63 PHE HA H 63 4.800 4.973 -0.173 1
1 664 . 13 1 1 A 63 63 PHE C C 63 175.400 174.873 0.527 1
1 665 . 13 1 1 A 63 63 PHE CA C 63 55.800 56.230 -0.430 1
1 666 . 13 1 1 A 63 63 PHE CB C 63 46.200 43.426 2.774 1
1 670 . 13 1 1 A 63 63 PHE N N 63 118.600 122.152 -3.552 1
1 671 . 13 1 1 A 64 64 PHE H H 64 9.930 8.995 0.935 1
1 672 . 13 1 1 A 64 64 PHE HA H 64 5.460 5.112 0.348 1
1 679 . 13 1 1 A 64 64 PHE C C 64 175.600 174.858 0.742 1
1 680 . 13 1 1 A 64 64 PHE CA C 64 57.500 57.116 0.384 1
1 681 . 13 1 1 A 64 64 PHE CB C 64 43.100 41.658 1.442 1
1 684 . 13 1 1 A 64 64 PHE N N 64 120.100 119.139 0.961 1
1 685 . 13 1 1 A 65 65 ASP H H 65 10.950 8.538 2.412 1
1 686 . 13 1 1 A 65 65 ASP HA H 65 4.860 4.513 0.347 1
1 689 . 13 1 1 A 65 65 ASP C C 65 177.400 175.539 1.861 1
1 690 . 13 1 1 A 65 65 ASP CA C 65 56.400 54.729 1.671 1
1 691 . 13 1 1 A 65 65 ASP CB C 65 42.800 41.763 1.037 1
1 692 . 13 1 1 A 65 65 ASP N N 65 123.200 122.962 0.238 1
1 693 . 13 1 1 A 66 66 ASP H H 66 8.470 8.919 -0.449 1
1 694 . 13 1 1 A 66 66 ASP HA H 66 4.110 4.734 -0.624 1
1 697 . 13 1 1 A 66 66 ASP C C 66 175.300 175.711 -0.411 1
1 698 . 13 1 1 A 66 66 ASP CA C 66 57.800 55.995 1.805 1
1 699 . 13 1 1 A 66 66 ASP CB C 66 42.000 41.401 0.599 1
1 700 . 13 1 1 A 66 66 ASP N N 66 122.800 128.030 -5.230 1
1 701 . 13 1 1 A 67 67 GLN H H 67 8.500 7.524 0.976 1
1 702 . 13 1 1 A 67 67 GLN HA H 67 4.250 4.624 -0.374 1
1 707 . 13 1 1 A 67 67 GLN C C 67 175.900 175.843 0.057 1
1 708 . 13 1 1 A 67 67 GLN CA C 67 55.400 54.378 1.022 1
1 709 . 13 1 1 A 67 67 GLN CB C 67 28.300 26.954 1.346 1
1 711 . 13 1 1 A 68 68 ASN H H 68 7.880 8.401 -0.521 1
1 712 . 13 1 1 A 68 68 ASN HA H 68 4.430 4.821 -0.391 1
1 714 . 13 1 1 A 68 68 ASN CA C 68 53.300 54.729 -1.429 1
1 715 . 13 1 1 A 68 68 ASN CB C 68 39.300 38.890 0.410 1
1 716 . 13 1 1 A 68 68 ASN N N 68 121.500 123.928 -2.428 1
1 722 . 13 1 1 A 73 73 PHE HA H 73 4.190 4.857 -0.667 1
1 730 . 13 1 1 A 73 73 PHE CA C 73 61.300 55.766 5.534 1
1 731 . 13 1 1 A 73 73 PHE CB C 73 38.600 41.913 -3.313 1
1 735 . 13 1 1 A 74 74 GLU HA H 74 4.290 4.675 -0.385 1
1 738 . 13 1 1 A 74 74 GLU CA C 74 56.800 56.654 0.146 1
1 739 . 13 1 1 A 74 74 GLU CB C 74 29.900 32.071 -2.171 1
1 741 . 13 1 1 A 75 75 THR HA H 75 4.180 4.616 -0.436 1
1 746 . 13 1 1 A 75 75 THR C C 75 174.100 173.235 0.865 1
1 747 . 13 1 1 A 75 75 THR CA C 75 60.700 61.166 -0.466 1
1 748 . 13 1 1 A 75 75 THR CB C 75 69.800 68.293 1.507 1
1 750 . 13 1 1 A 76 76 LYS HA H 76 3.880 4.932 -1.052 1
1 759 . 13 1 1 A 76 76 LYS CA C 76 55.900 55.289 0.611 1
1 760 . 13 1 1 A 76 76 LYS CB C 76 32.100 35.719 -3.619 1
1 764 . 13 1 1 A 77 77 ILE H H 77 9.060 8.598 0.462 1
1 765 . 13 1 1 A 77 77 ILE HA H 77 3.850 4.510 -0.660 1
1 775 . 13 1 1 A 77 77 ILE C C 77 175.900 175.899 0.001 1
1 776 . 13 1 1 A 77 77 ILE CA C 77 59.600 60.223 -0.623 1
1 777 . 13 1 1 A 77 77 ILE CB C 77 38.400 39.630 -1.230 1
1 781 . 13 1 1 A 77 77 ILE N N 77 126.900 127.319 -0.419 1
1 782 . 13 1 1 A 78 78 SER H H 78 8.730 9.105 -0.375 1
1 783 . 13 1 1 A 78 78 SER HA H 78 4.140 4.031 0.109 1
1 786 . 13 1 1 A 78 78 SER C C 78 176.200 176.631 -0.431 1
1 787 . 13 1 1 A 78 78 SER CA C 78 60.800 61.610 -0.810 1
1 788 . 13 1 1 A 78 78 SER CB C 78 61.200 63.006 -1.806 1
1 789 . 13 1 1 A 78 78 SER N N 78 119.000 123.852 -4.852 1
1 790 . 13 1 1 A 79 79 THR H H 79 8.050 7.802 0.248 1
1 791 . 13 1 1 A 79 79 THR HA H 79 4.580 4.296 0.284 1
1 796 . 13 1 1 A 79 79 THR C C 79 174.400 176.151 -1.751 1
1 797 . 13 1 1 A 79 79 THR CA C 79 62.200 65.229 -3.029 1
1 798 . 13 1 1 A 79 79 THR CB C 79 69.300 68.694 0.606 1
1 800 . 13 1 1 A 79 79 THR N N 79 114.300 114.958 -0.658 1
1 801 . 13 1 1 A 80 80 LEU H H 80 7.470 7.727 -0.257 1
1 802 . 13 1 1 A 80 80 LEU HA H 80 3.580 3.698 -0.118 1
1 812 . 13 1 1 A 80 80 LEU C C 80 176.500 177.876 -1.376 1
1 813 . 13 1 1 A 80 80 LEU CA C 80 58.400 57.604 0.796 1
1 814 . 13 1 1 A 80 80 LEU CB C 80 41.800 41.289 0.511 1
1 818 . 13 1 1 A 80 80 LEU N N 80 123.200 122.000 1.200 1
1 819 . 13 1 1 A 81 81 ASP H H 81 8.450 8.029 0.421 1
1 820 . 13 1 1 A 81 81 ASP HA H 81 4.060 4.244 -0.184 1
1 823 . 13 1 1 A 81 81 ASP C C 81 178.700 178.221 0.479 1
1 824 . 13 1 1 A 81 81 ASP CA C 81 57.600 57.676 -0.076 1
1 825 . 13 1 1 A 81 81 ASP CB C 81 39.500 42.344 -2.844 1
1 826 . 13 1 1 A 81 81 ASP N N 81 116.000 119.137 -3.137 1
1 827 . 13 1 1 A 82 82 GLU H H 82 7.800 7.459 0.341 1
1 828 . 13 1 1 A 82 82 GLU HA H 82 4.030 4.050 -0.020 1
1 833 . 13 1 1 A 82 82 GLU C C 82 178.500 178.805 -0.305 1
1 834 . 13 1 1 A 82 82 GLU CA C 82 59.100 58.947 0.153 1
1 835 . 13 1 1 A 82 82 GLU CB C 82 29.300 29.586 -0.286 1
1 837 . 13 1 1 A 82 82 GLU N N 82 120.400 118.632 1.768 1
1 838 . 13 1 1 A 83 83 TYR H H 83 8.190 8.159 0.031 1
1 839 . 13 1 1 A 83 83 TYR HA H 83 4.410 4.252 0.158 1
1 846 . 13 1 1 A 83 83 TYR C C 83 176.700 177.354 -0.654 1
1 847 . 13 1 1 A 83 83 TYR CA C 83 60.900 61.404 -0.504 1
1 848 . 13 1 1 A 83 83 TYR CB C 83 37.600 38.685 -1.085 1
1 851 . 13 1 1 A 83 83 TYR N N 83 122.900 122.104 0.796 1
1 852 . 13 1 1 A 84 84 ILE H H 84 8.400 8.662 -0.262 1
1 853 . 13 1 1 A 84 84 ILE HA H 84 3.240 3.521 -0.281 1
1 863 . 13 1 1 A 84 84 ILE C C 84 178.000 177.291 0.709 1
1 864 . 13 1 1 A 84 84 ILE CA C 84 60.800 65.706 -4.906 1
1 865 . 13 1 1 A 84 84 ILE CB C 84 35.500 37.682 -2.182 1
1 869 . 13 1 1 A 84 84 ILE N N 84 119.100 120.669 -1.569 1
1 870 . 13 1 1 A 85 85 TYR H H 85 7.820 8.446 -0.626 1
1 871 . 13 1 1 A 85 85 TYR HA H 85 3.910 4.015 -0.105 1
1 878 . 13 1 1 A 85 85 TYR C C 85 176.800 178.066 -1.266 1
1 879 . 13 1 1 A 85 85 TYR CA C 85 60.700 61.393 -0.693 1
1 880 . 13 1 1 A 85 85 TYR CB C 85 37.900 38.846 -0.946 1
1 883 . 13 1 1 A 85 85 TYR N N 85 119.100 120.608 -1.508 1
1 884 . 13 1 1 A 86 86 GLU H H 86 7.660 7.859 -0.199 1
1 885 . 13 1 1 A 86 86 GLU HA H 86 3.690 3.901 -0.211 1
1 890 . 13 1 1 A 86 86 GLU C C 86 177.900 177.881 0.019 1
1 891 . 13 1 1 A 86 86 GLU CA C 86 58.200 58.929 -0.729 1
1 892 . 13 1 1 A 86 86 GLU CB C 86 29.500 29.131 0.369 1
1 894 . 13 1 1 A 86 86 GLU N N 86 116.700 118.181 -1.481 1
1 895 . 13 1 1 A 87 87 TYR H H 87 8.010 7.456 0.554 1
1 896 . 13 1 1 A 87 87 TYR HA H 87 4.090 4.219 -0.129 1
1 903 . 13 1 1 A 87 87 TYR C C 87 176.000 177.669 -1.669 1
1 904 . 13 1 1 A 87 87 TYR CA C 87 60.100 59.935 0.165 1
1 905 . 13 1 1 A 87 87 TYR CB C 87 37.300 38.872 -1.572 1
1 908 . 13 1 1 A 87 87 TYR N N 87 114.900 117.756 -2.856 1
1 909 . 13 1 1 A 88 88 CYS H H 88 8.300 7.517 0.783 1
1 910 . 13 1 1 A 88 88 CYS HA H 88 4.760 4.537 0.223 1
1 913 . 13 1 1 A 88 88 CYS CA C 88 53.500 58.310 -4.810 1
1 914 . 13 1 1 A 88 88 CYS CB C 88 42.000 43.012 -1.012 1
1 915 . 13 1 1 A 88 88 CYS N N 88 119.700 117.892 1.808 1
1 916 . 13 1 1 A 89 89 ASN C C 89 176.500 175.841 0.659 1
1 917 . 13 1 1 A 90 90 PHE HA H 90 4.590 4.593 -0.003 1
1 925 . 13 1 1 A 90 90 PHE CA C 90 57.400 57.926 -0.526 1
1 926 . 13 1 1 A 90 90 PHE CB C 90 38.200 39.264 -1.064 1
1 930 . 13 1 1 A 92 92 CYS HA H 92 4.660 4.567 0.093 1
1 933 . 13 1 1 A 92 92 CYS C C 92 172.000 173.472 -1.472 1
1 934 . 13 1 1 A 92 92 CYS CA C 92 55.000 59.120 -4.120 1
1 935 . 13 1 1 A 92 92 CYS CB C 92 47.400 42.529 4.871 1
1 936 . 13 1 1 A 93 93 ALA H H 93 8.670 7.313 1.357 1
1 937 . 13 1 1 A 93 93 ALA HA H 93 4.520 5.031 -0.511 1
1 941 . 13 1 1 A 93 93 ALA C C 93 177.400 175.437 1.963 1
1 942 . 13 1 1 A 93 93 ALA CA C 93 52.400 52.020 0.380 1
1 943 . 13 1 1 A 93 93 ALA CB C 93 19.800 21.965 -2.165 1
1 944 . 13 1 1 A 93 93 ALA N N 93 126.000 120.850 5.150 1
1 945 . 13 1 1 A 94 94 TYR H H 94 8.460 8.909 -0.449 1
1 946 . 13 1 1 A 94 94 TYR HA H 94 5.570 5.679 -0.109 1
1 953 . 13 1 1 A 94 94 TYR C C 94 171.500 173.506 -2.006 1
1 954 . 13 1 1 A 94 94 TYR CA C 94 57.200 56.419 0.781 1
1 955 . 13 1 1 A 94 94 TYR CB C 94 39.800 40.589 -0.789 1
1 958 . 13 1 1 A 94 94 TYR N N 94 116.200 117.054 -0.854 1
1 959 . 13 1 1 A 95 95 PHE H H 95 9.220 8.892 0.328 1
1 960 . 13 1 1 A 95 95 PHE HA H 95 5.280 5.600 -0.320 1
1 967 . 13 1 1 A 95 95 PHE C C 95 172.900 172.858 0.042 1
1 968 . 13 1 1 A 95 95 PHE CA C 95 55.200 55.726 -0.526 1
1 969 . 13 1 1 A 95 95 PHE CB C 95 42.400 42.937 -0.537 1
1 972 . 13 1 1 A 95 95 PHE N N 95 114.100 116.733 -2.633 1
1 973 . 13 1 1 A 96 96 VAL H H 96 9.130 9.226 -0.096 1
1 974 . 13 1 1 A 96 96 VAL HA H 96 4.860 5.094 -0.234 1
1 982 . 13 1 1 A 96 96 VAL C C 96 174.800 174.661 0.139 1
1 983 . 13 1 1 A 96 96 VAL CA C 96 61.400 61.265 0.135 1
1 984 . 13 1 1 A 96 96 VAL CB C 96 35.100 34.633 0.467 1
1 987 . 13 1 1 A 96 96 VAL N N 96 118.400 120.996 -2.596 1
1 988 . 13 1 1 A 97 97 LEU H H 97 9.610 9.557 0.053 1
1 989 . 13 1 1 A 97 97 LEU HA H 97 5.380 5.540 -0.160 1
1 999 . 13 1 1 A 97 97 LEU C C 97 175.700 175.244 0.456 1
1 1000 . 13 1 1 A 97 97 LEU CA C 97 52.100 53.195 -1.095 1
1 1001 . 13 1 1 A 97 97 LEU CB C 97 44.500 44.714 -0.214 1
1 1005 . 13 1 1 A 97 97 LEU N N 97 126.100 126.968 -0.868 1
1 1006 . 13 1 1 A 98 98 LYS H H 98 9.660 8.675 0.985 1
1 1007 . 13 1 1 A 98 98 LYS HA H 98 4.740 4.818 -0.078 1
1 1016 . 13 1 1 A 98 98 LYS C C 98 175.500 175.802 -0.302 1
1 1017 . 13 1 1 A 98 98 LYS CA C 98 54.400 54.329 0.071 1
1 1018 . 13 1 1 A 98 98 LYS CB C 98 37.500 35.203 2.297 1
1 1022 . 13 1 1 A 98 98 LYS N N 98 123.900 124.764 -0.864 1
1 1023 . 13 1 1 A 99 99 ARG H H 99 8.400 8.608 -0.208 1
1 1024 . 13 1 1 A 99 99 ARG HA H 99 4.040 4.084 -0.044 1
1 1031 . 13 1 1 A 99 99 ARG C C 99 174.800 176.169 -1.369 1
1 1032 . 13 1 1 A 99 99 ARG CA C 99 55.500 56.253 -0.753 1
1 1033 . 13 1 1 A 99 99 ARG CB C 99 30.000 30.472 -0.472 1
1 1036 . 13 1 1 A 99 99 ARG N N 99 128.700 127.758 0.942 1
1 1037 . 13 1 1 A 100 100 ILE H H 100 8.660 8.498 0.162 1
1 1038 . 13 1 1 A 100 100 ILE HA H 100 4.150 4.128 0.022 1
1 1048 . 13 1 1 A 100 100 ILE CA C 100 59.100 61.482 -2.382 1
1 1049 . 13 1 1 A 100 100 ILE CB C 100 36.300 38.017 -1.717 1
1 1053 . 13 1 1 A 100 100 ILE N N 100 130.500 127.439 3.061 1
1 1054 . 13 1 1 A 101 101 ARG C C 101 177.000 176.206 0.794 1
1 1055 . 13 1 1 A 102 102 LYS C C 102 178.900 174.811 4.089 1
1 1056 . 13 1 1 A 103 103 LEU HA H 103 4.230 4.353 -0.123 1
1 1066 . 13 1 1 A 103 103 LEU CA C 103 54.900 54.570 0.330 1
1 1067 . 13 1 1 A 103 103 LEU CB C 103 42.100 39.617 2.483 1
1 1071 . 13 1 1 A 104 104 GLU HA H 104 4.010 4.493 -0.483 1
1 1075 . 13 1 1 A 104 104 GLU CA C 104 58.300 56.060 2.240 1
1 1076 . 13 1 1 A 104 104 GLU CB C 104 28.300 33.308 -5.008 1
1 1 . 14 1 1 A 10 10 GLU HA H 10 4.230 4.197 0.033 1
1 6 . 14 1 1 A 10 10 GLU C C 10 176.100 176.450 -0.350 1
1 7 . 14 1 1 A 10 10 GLU CA C 10 56.800 58.737 -1.937 1
1 8 . 14 1 1 A 10 10 GLU CB C 10 30.400 30.315 0.085 1
1 10 . 14 1 1 A 11 11 ILE H H 11 8.270 8.206 0.064 1
1 11 . 14 1 1 A 11 11 ILE HA H 11 4.100 4.277 -0.177 1
1 21 . 14 1 1 A 11 11 ILE C C 11 173.900 174.653 -0.753 1
1 22 . 14 1 1 A 11 11 ILE CA C 11 60.900 60.733 0.167 1
1 23 . 14 1 1 A 11 11 ILE CB C 11 38.300 38.924 -0.624 1
1 27 . 14 1 1 A 11 11 ILE N N 11 121.800 118.848 2.952 1
1 28 . 14 1 1 A 12 12 MET H H 12 8.150 8.623 -0.473 1
1 29 . 14 1 1 A 12 12 MET HA H 12 5.250 5.245 0.005 1
1 37 . 14 1 1 A 12 12 MET C C 12 175.500 175.064 0.436 1
1 38 . 14 1 1 A 12 12 MET CA C 12 53.100 53.861 -0.761 1
1 39 . 14 1 1 A 12 12 MET CB C 12 33.600 33.770 -0.170 1
1 42 . 14 1 1 A 12 12 MET N N 12 125.200 126.123 -0.923 1
1 43 . 14 1 1 A 13 13 ILE H H 13 9.200 9.516 -0.316 1
1 44 . 14 1 1 A 13 13 ILE HA H 13 4.400 4.701 -0.301 1
1 54 . 14 1 1 A 13 13 ILE C C 13 173.500 174.844 -1.344 1
1 55 . 14 1 1 A 13 13 ILE CA C 13 59.600 60.746 -1.146 1
1 56 . 14 1 1 A 13 13 ILE CB C 13 40.500 38.713 1.787 1
1 60 . 14 1 1 A 13 13 ILE N N 13 123.700 126.220 -2.520 1
1 61 . 14 1 1 A 14 14 LEU H H 14 8.550 9.250 -0.700 1
1 62 . 14 1 1 A 14 14 LEU HA H 14 5.200 5.521 -0.321 1
1 72 . 14 1 1 A 14 14 LEU C C 14 176.100 175.932 0.168 1
1 73 . 14 1 1 A 14 14 LEU CA C 14 53.700 53.443 0.257 1
1 74 . 14 1 1 A 14 14 LEU CB C 14 43.700 42.912 0.788 1
1 78 . 14 1 1 A 14 14 LEU N N 14 128.800 128.582 0.218 1
1 79 . 14 1 1 A 15 15 ILE H H 15 8.780 8.761 0.019 1
1 80 . 14 1 1 A 15 15 ILE HA H 15 4.350 4.473 -0.123 1
1 90 . 14 1 1 A 15 15 ILE CA C 15 58.700 60.078 -1.378 1
1 91 . 14 1 1 A 15 15 ILE CB C 15 39.800 40.964 -1.164 1
1 95 . 14 1 1 A 15 15 ILE N N 15 123.000 123.956 -0.956 1
1 96 . 14 1 1 A 16 16 GLN HA H 16 3.710 4.072 -0.362 1
1 100 . 14 1 1 A 16 16 GLN CA C 16 57.700 57.403 0.297 1
1 101 . 14 1 1 A 16 16 GLN CB C 16 26.500 27.085 -0.585 1
1 103 . 14 1 1 A 17 17 ASN HA H 17 4.460 4.281 0.179 1
1 108 . 14 1 1 A 17 17 ASN C C 17 173.300 173.832 -0.532 1
1 109 . 14 1 1 A 17 17 ASN CA C 17 53.900 54.669 -0.769 1
1 110 . 14 1 1 A 17 17 ASN CB C 17 38.100 36.662 1.438 1
1 112 . 14 1 1 A 18 18 ALA H H 18 8.450 7.411 1.039 1
1 113 . 14 1 1 A 18 18 ALA HA H 18 4.250 4.680 -0.430 1
1 117 . 14 1 1 A 18 18 ALA C C 18 174.000 175.119 -1.119 1
1 118 . 14 1 1 A 18 18 ALA CA C 18 51.600 50.782 0.818 1
1 119 . 14 1 1 A 18 18 ALA CB C 18 20.500 21.746 -1.246 1
1 120 . 14 1 1 A 18 18 ALA N N 18 125.200 119.201 5.999 1
1 121 . 14 1 1 A 19 19 GLU H H 19 7.930 8.788 -0.858 1
1 122 . 14 1 1 A 19 19 GLU HA H 19 5.000 4.648 0.352 1
1 127 . 14 1 1 A 19 19 GLU C C 19 174.500 175.190 -0.690 1
1 128 . 14 1 1 A 19 19 GLU CA C 19 54.400 55.031 -0.631 1
1 129 . 14 1 1 A 19 19 GLU CB C 19 32.500 30.564 1.936 1
1 131 . 14 1 1 A 19 19 GLU N N 19 121.700 124.493 -2.793 1
1 132 . 14 1 1 A 20 20 PHE H H 20 9.110 9.150 -0.040 1
1 133 . 14 1 1 A 20 20 PHE HA H 20 5.340 5.521 -0.181 1
1 141 . 14 1 1 A 20 20 PHE C C 20 173.900 174.417 -0.517 1
1 142 . 14 1 1 A 20 20 PHE CA C 20 55.800 56.895 -1.095 1
1 143 . 14 1 1 A 20 20 PHE CB C 20 44.800 43.579 1.221 1
1 147 . 14 1 1 A 20 20 PHE N N 20 120.100 125.562 -5.462 1
1 148 . 14 1 1 A 21 21 GLU H H 21 9.200 9.146 0.054 1
1 149 . 14 1 1 A 21 21 GLU HA H 21 5.040 5.378 -0.338 1
1 154 . 14 1 1 A 21 21 GLU C C 21 176.200 174.637 1.563 1
1 155 . 14 1 1 A 21 21 GLU CA C 21 53.700 54.658 -0.958 1
1 156 . 14 1 1 A 21 21 GLU CB C 21 33.600 33.674 -0.074 1
1 158 . 14 1 1 A 21 21 GLU N N 21 120.800 118.675 2.125 1
1 159 . 14 1 1 A 22 22 LEU H H 22 8.590 8.736 -0.146 1
1 160 . 14 1 1 A 22 22 LEU HA H 22 4.420 4.406 0.014 1
1 170 . 14 1 1 A 22 22 LEU C C 22 175.200 176.719 -1.519 1
1 171 . 14 1 1 A 22 22 LEU CA C 22 54.900 54.933 -0.033 1
1 172 . 14 1 1 A 22 22 LEU CB C 22 41.000 41.695 -0.695 1
1 176 . 14 1 1 A 22 22 LEU N N 22 127.900 125.119 2.781 1
1 177 . 14 1 1 A 23 23 VAL H H 23 8.350 8.752 -0.402 1
1 178 . 14 1 1 A 23 23 VAL HA H 23 4.460 4.370 0.090 1
1 186 . 14 1 1 A 23 23 VAL C C 23 175.500 175.920 -0.420 1
1 187 . 14 1 1 A 23 23 VAL CA C 23 62.100 62.425 -0.325 1
1 188 . 14 1 1 A 23 23 VAL CB C 23 32.600 33.044 -0.444 1
1 191 . 14 1 1 A 23 23 VAL N N 23 122.700 122.008 0.692 1
1 192 . 14 1 1 A 24 24 HIS H H 24 7.590 7.282 0.308 1
1 193 . 14 1 1 A 24 24 HIS HA H 24 4.750 4.897 -0.147 1
1 197 . 14 1 1 A 24 24 HIS CA C 24 56.800 55.720 1.080 1
1 198 . 14 1 1 A 24 24 HIS CB C 24 34.800 33.042 1.758 1
1 200 . 14 1 1 A 24 24 HIS N N 24 118.300 120.871 -2.571 1
1 201 . 14 1 1 A 25 25 ASN HA H 25 5.070 5.456 -0.386 1
1 206 . 14 1 1 A 25 25 ASN C C 25 172.500 172.968 -0.468 1
1 207 . 14 1 1 A 25 25 ASN CA C 25 52.000 51.914 0.086 1
1 208 . 14 1 1 A 25 25 ASN CB C 25 40.400 42.377 -1.977 1
1 210 . 14 1 1 A 26 26 PHE H H 26 9.000 8.750 0.250 1
1 211 . 14 1 1 A 26 26 PHE HA H 26 4.540 4.685 -0.145 1
1 219 . 14 1 1 A 26 26 PHE C C 26 174.500 174.528 -0.028 1
1 220 . 14 1 1 A 26 26 PHE CA C 26 57.100 57.078 0.022 1
1 221 . 14 1 1 A 26 26 PHE CB C 26 40.900 41.617 -0.717 1
1 225 . 14 1 1 A 26 26 PHE N N 26 128.200 126.096 2.104 1
1 226 . 14 1 1 A 27 27 LYS H H 27 8.700 9.247 -0.547 1
1 227 . 14 1 1 A 27 27 LYS HA H 27 3.290 3.691 -0.401 1
1 236 . 14 1 1 A 27 27 LYS C C 27 174.500 175.604 -1.104 1
1 237 . 14 1 1 A 27 27 LYS CA C 27 56.800 57.222 -0.422 1
1 238 . 14 1 1 A 27 27 LYS CB C 27 29.500 29.819 -0.319 1
1 242 . 14 1 1 A 27 27 LYS N N 27 126.000 127.666 -1.666 1
1 243 . 14 1 1 A 28 28 ASP H H 28 8.560 8.409 0.151 1
1 244 . 14 1 1 A 28 28 ASP HA H 28 4.080 4.345 -0.265 1
1 247 . 14 1 1 A 28 28 ASP C C 28 174.700 176.967 -2.267 1
1 248 . 14 1 1 A 28 28 ASP CA C 28 54.800 55.626 -0.826 1
1 249 . 14 1 1 A 28 28 ASP CB C 28 39.100 38.915 0.185 1
1 250 . 14 1 1 A 28 28 ASP N N 28 112.300 111.142 1.158 1
1 251 . 14 1 1 A 29 29 GLY H H 29 7.160 7.769 -0.609 1
1 252 . 14 1 1 A 29 29 GLY HA2 H 29 3.490 3.909 -0.419 1
1 253 . 14 1 1 A 29 29 GLY HA3 H 29 3.780 4.185 -0.405 1
1 254 . 14 1 1 A 29 29 GLY C C 29 174.800 174.677 0.123 1
1 255 . 14 1 1 A 29 29 GLY CA C 29 47.600 46.141 1.459 1
1 256 . 14 1 1 A 29 29 GLY N N 29 101.900 106.229 -4.329 1
1 257 . 14 1 1 A 30 30 PHE H H 30 9.400 7.410 1.990 1
1 258 . 14 1 1 A 30 30 PHE HA H 30 3.380 3.803 -0.423 1
1 266 . 14 1 1 A 30 30 PHE CA C 30 60.700 58.671 2.029 1
1 267 . 14 1 1 A 30 30 PHE CB C 30 37.700 39.270 -1.570 1
1 271 . 14 1 1 A 30 30 PHE N N 30 120.800 121.683 -0.883 1
1 272 . 14 1 1 A 31 31 ASN H H 31 5.090 7.860 -2.770 1
1 273 . 14 1 1 A 31 31 ASN HA H 31 4.220 4.731 -0.511 1
1 276 . 14 1 1 A 31 31 ASN CA C 31 52.400 51.932 0.468 1
1 277 . 14 1 1 A 31 31 ASN CB C 31 41.100 40.299 0.801 1
1 278 . 14 1 1 A 31 31 ASN N N 31 125.400 125.564 -0.164 1
1 279 . 14 1 1 A 32 32 GLU HA H 32 3.290 3.531 -0.241 1
1 284 . 14 1 1 A 32 32 GLU C C 32 176.900 177.968 -1.068 1
1 285 . 14 1 1 A 32 32 GLU CA C 32 60.600 59.095 1.505 1
1 286 . 14 1 1 A 32 32 GLU CB C 32 29.500 29.512 -0.012 1
1 288 . 14 1 1 A 33 33 GLU H H 33 8.320 8.272 0.048 1
1 289 . 14 1 1 A 33 33 GLU HA H 33 3.880 4.074 -0.194 1
1 294 . 14 1 1 A 33 33 GLU C C 33 179.300 178.729 0.571 1
1 295 . 14 1 1 A 33 33 GLU CA C 33 59.600 59.400 0.200 1
1 296 . 14 1 1 A 33 33 GLU CB C 33 28.700 29.165 -0.465 1
1 298 . 14 1 1 A 33 33 GLU N N 33 119.000 117.745 1.255 1
1 299 . 14 1 1 A 34 34 ALA H H 34 8.330 7.834 0.496 1
1 300 . 14 1 1 A 34 34 ALA HA H 34 4.130 4.145 -0.015 1
1 304 . 14 1 1 A 34 34 ALA C C 34 179.600 179.650 -0.050 1
1 305 . 14 1 1 A 34 34 ALA CA C 34 54.400 54.945 -0.545 1
1 306 . 14 1 1 A 34 34 ALA CB C 34 18.400 18.523 -0.123 1
1 307 . 14 1 1 A 34 34 ALA N N 34 122.200 122.228 -0.028 1
1 308 . 14 1 1 A 35 35 PHE H H 35 8.040 8.253 -0.213 1
1 309 . 14 1 1 A 35 35 PHE HA H 35 4.020 4.163 -0.143 1
1 317 . 14 1 1 A 35 35 PHE C C 35 176.100 177.734 -1.634 1
1 318 . 14 1 1 A 35 35 PHE CA C 35 61.000 61.350 -0.350 1
1 319 . 14 1 1 A 35 35 PHE CB C 35 39.000 39.546 -0.546 1
1 323 . 14 1 1 A 35 35 PHE N N 35 117.100 120.575 -3.475 1
1 324 . 14 1 1 A 36 36 LYS H H 36 8.490 8.450 0.040 1
1 325 . 14 1 1 A 36 36 LYS HA H 36 3.320 3.883 -0.563 1
1 334 . 14 1 1 A 36 36 LYS C C 36 178.000 178.380 -0.380 1
1 335 . 14 1 1 A 36 36 LYS CA C 36 59.800 58.696 1.104 1
1 336 . 14 1 1 A 36 36 LYS CB C 36 32.100 31.429 0.671 1
1 340 . 14 1 1 A 36 36 LYS N N 36 118.100 118.500 -0.400 1
1 341 . 14 1 1 A 37 37 ALA H H 37 7.450 7.554 -0.104 1
1 342 . 14 1 1 A 37 37 ALA HA H 37 4.130 4.101 0.029 1
1 346 . 14 1 1 A 37 37 ALA C C 37 178.500 178.277 0.223 1
1 347 . 14 1 1 A 37 37 ALA CA C 37 53.600 54.368 -0.768 1
1 348 . 14 1 1 A 37 37 ALA CB C 37 18.500 18.395 0.105 1
1 349 . 14 1 1 A 37 37 ALA N N 37 117.700 122.070 -4.370 1
1 350 . 14 1 1 A 38 38 ARG H H 38 7.160 7.348 -0.188 1
1 351 . 14 1 1 A 38 38 ARG HA H 38 4.340 4.344 -0.004 1
1 358 . 14 1 1 A 38 38 ARG C C 38 175.400 175.690 -0.290 1
1 359 . 14 1 1 A 38 38 ARG CA C 38 54.200 55.503 -1.303 1
1 360 . 14 1 1 A 38 38 ARG CB C 38 31.400 31.140 0.260 1
1 363 . 14 1 1 A 38 38 ARG N N 38 114.800 115.232 -0.432 1
1 364 . 14 1 1 A 39 39 TYR H H 39 7.510 7.409 0.101 1
1 365 . 14 1 1 A 39 39 TYR HA H 39 3.350 4.183 -0.833 1
1 372 . 14 1 1 A 39 39 TYR C C 39 173.700 174.720 -1.020 1
1 373 . 14 1 1 A 39 39 TYR CA C 39 60.800 59.206 1.594 1
1 374 . 14 1 1 A 39 39 TYR CB C 39 38.000 38.638 -0.638 1
1 377 . 14 1 1 A 39 39 TYR N N 39 122.600 122.777 -0.177 1
1 378 . 14 1 1 A 40 40 SER H H 40 5.730 7.760 -2.030 1
1 379 . 14 1 1 A 40 40 SER HA H 40 4.470 4.756 -0.286 1
1 382 . 14 1 1 A 40 40 SER CA C 40 56.100 55.696 0.404 1
1 383 . 14 1 1 A 40 40 SER CB C 40 65.100 65.064 0.036 1
1 384 . 14 1 1 A 40 40 SER N N 40 119.100 123.134 -4.034 1
1 385 . 14 1 1 A 41 41 ASP HA H 41 4.210 4.260 -0.050 1
1 388 . 14 1 1 A 41 41 ASP CA C 41 56.700 56.931 -0.231 1
1 389 . 14 1 1 A 41 41 ASP CB C 41 40.500 40.314 0.186 1
1 390 . 14 1 1 A 42 42 ILE HA H 42 4.030 3.798 0.232 1
1 400 . 14 1 1 A 42 42 ILE C C 42 176.600 177.785 -1.185 1
1 401 . 14 1 1 A 42 42 ILE CA C 42 63.200 63.262 -0.062 1
1 402 . 14 1 1 A 42 42 ILE CB C 42 37.600 37.585 0.015 1
1 406 . 14 1 1 A 43 43 LEU H H 43 7.700 7.831 -0.131 1
1 407 . 14 1 1 A 43 43 LEU HA H 43 4.560 4.356 0.204 1
1 417 . 14 1 1 A 43 43 LEU C C 43 178.000 179.245 -1.245 1
1 418 . 14 1 1 A 43 43 LEU CA C 43 54.700 56.561 -1.861 1
1 419 . 14 1 1 A 43 43 LEU CB C 43 40.800 41.434 -0.634 1
1 423 . 14 1 1 A 43 43 LEU N N 43 117.500 120.456 -2.956 1
1 424 . 14 1 1 A 44 44 ASN H H 44 7.870 8.121 -0.251 1
1 425 . 14 1 1 A 44 44 ASN HA H 44 4.480 4.843 -0.363 1
1 428 . 14 1 1 A 44 44 ASN CA C 44 55.300 55.615 -0.315 1
1 429 . 14 1 1 A 44 44 ASN CB C 44 38.200 38.926 -0.726 1
1 430 . 14 1 1 A 44 44 ASN N N 44 118.400 118.347 0.053 1
1 431 . 14 1 1 A 45 45 LYS HA H 45 4.200 4.200 0.000 1
1 440 . 14 1 1 A 45 45 LYS C C 45 176.200 177.142 -0.942 1
1 441 . 14 1 1 A 45 45 LYS CA C 45 56.500 57.987 -1.487 1
1 442 . 14 1 1 A 45 45 LYS CB C 45 32.000 32.202 -0.202 1
1 446 . 14 1 1 A 46 46 TYR H H 46 6.770 7.570 -0.800 1
1 447 . 14 1 1 A 46 46 TYR HA H 46 3.900 4.104 -0.204 1
1 454 . 14 1 1 A 46 46 TYR C C 46 175.500 175.587 -0.087 1
1 455 . 14 1 1 A 46 46 TYR CA C 46 59.200 59.359 -0.159 1
1 456 . 14 1 1 A 46 46 TYR CB C 46 38.700 39.039 -0.339 1
1 459 . 14 1 1 A 46 46 TYR N N 46 117.400 118.187 -0.787 1
1 460 . 14 1 1 A 47 47 ASP H H 47 7.540 8.174 -0.634 1
1 461 . 14 1 1 A 47 47 ASP HA H 47 4.880 4.708 0.172 1
1 464 . 14 1 1 A 47 47 ASP C C 47 175.100 174.212 0.888 1
1 465 . 14 1 1 A 47 47 ASP CA C 47 56.100 55.941 0.159 1
1 466 . 14 1 1 A 47 47 ASP CB C 47 43.100 39.583 3.517 1
1 467 . 14 1 1 A 47 47 ASP N N 47 118.300 117.116 1.184 1
1 468 . 14 1 1 A 48 48 TYR H H 48 8.640 8.148 0.492 1
1 469 . 14 1 1 A 48 48 TYR HA H 48 5.670 5.499 0.171 1
1 476 . 14 1 1 A 48 48 TYR C C 48 174.700 174.770 -0.070 1
1 477 . 14 1 1 A 48 48 TYR CA C 48 55.900 56.999 -1.099 1
1 478 . 14 1 1 A 48 48 TYR CB C 48 43.500 41.370 2.130 1
1 481 . 14 1 1 A 48 48 TYR N N 48 116.700 118.847 -2.147 1
1 482 . 14 1 1 A 49 49 ILE H H 49 9.130 8.943 0.187 1
1 483 . 14 1 1 A 49 49 ILE HA H 49 4.660 4.910 -0.250 1
1 493 . 14 1 1 A 49 49 ILE C C 49 173.900 174.795 -0.895 1
1 494 . 14 1 1 A 49 49 ILE CA C 49 59.400 59.977 -0.577 1
1 495 . 14 1 1 A 49 49 ILE CB C 49 40.700 39.805 0.895 1
1 499 . 14 1 1 A 49 49 ILE N N 49 119.500 123.992 -4.492 1
1 500 . 14 1 1 A 50 50 VAL H H 50 9.220 9.310 -0.090 1
1 501 . 14 1 1 A 50 50 VAL HA H 50 4.860 4.966 -0.106 1
1 509 . 14 1 1 A 50 50 VAL C C 50 175.200 174.703 0.497 1
1 510 . 14 1 1 A 50 50 VAL CA C 50 60.100 60.658 -0.558 1
1 511 . 14 1 1 A 50 50 VAL CB C 50 33.400 34.641 -1.241 1
1 514 . 14 1 1 A 50 50 VAL N N 50 128.600 128.425 0.175 1
1 515 . 14 1 1 A 51 51 GLY H H 51 7.860 7.954 -0.094 1
1 516 . 14 1 1 A 51 51 GLY HA2 H 51 5.420 3.613 1.807 1
1 517 . 14 1 1 A 51 51 GLY HA3 H 51 2.080 3.973 -1.893 1
1 518 . 14 1 1 A 51 51 GLY C C 51 170.700 172.251 -1.551 1
1 519 . 14 1 1 A 51 51 GLY CA C 51 43.600 44.244 -0.644 1
1 520 . 14 1 1 A 51 51 GLY N N 51 116.100 115.243 0.857 1
1 521 . 14 1 1 A 52 52 ASP H H 52 8.940 8.891 0.049 1
1 522 . 14 1 1 A 52 52 ASP HA H 52 5.540 5.683 -0.143 1
1 525 . 14 1 1 A 52 52 ASP C C 52 174.200 176.480 -2.280 1
1 526 . 14 1 1 A 52 52 ASP CA C 52 53.000 52.718 0.282 1
1 527 . 14 1 1 A 52 52 ASP CB C 52 47.100 42.923 4.177 1
1 528 . 14 1 1 A 52 52 ASP N N 52 121.200 121.339 -0.139 1
1 529 . 14 1 1 A 53 53 TRP H H 53 7.980 9.313 -1.333 1
1 530 . 14 1 1 A 53 53 TRP HA H 53 4.950 4.909 0.041 1
1 539 . 14 1 1 A 53 53 TRP C C 53 178.500 177.507 0.993 1
1 540 . 14 1 1 A 53 53 TRP CA C 53 56.200 57.421 -1.221 1
1 541 . 14 1 1 A 53 53 TRP CB C 53 28.500 28.945 -0.445 1
1 547 . 14 1 1 A 53 53 TRP N N 53 119.900 122.892 -2.992 1
1 549 . 14 1 1 A 54 54 GLY H H 54 10.320 8.241 2.079 1
1 550 . 14 1 1 A 54 54 GLY HA2 H 54 4.020 4.081 -0.061 1
1 551 . 14 1 1 A 54 54 GLY HA3 H 54 4.020 4.120 -0.100 1
1 552 . 14 1 1 A 54 54 GLY CA C 54 48.600 47.544 1.056 1
1 553 . 14 1 1 A 54 54 GLY N N 54 115.400 109.302 6.098 1
1 554 . 14 1 1 A 55 55 TYR HA H 55 4.890 4.832 0.058 1
1 561 . 14 1 1 A 55 55 TYR CA C 55 56.800 57.005 -0.205 1
1 562 . 14 1 1 A 55 55 TYR CB C 55 38.100 39.997 -1.897 1
1 565 . 14 1 1 A 56 56 GLY HA2 H 56 3.850 3.735 0.115 1
1 566 . 14 1 1 A 56 56 GLY HA3 H 56 4.360 3.858 0.502 1
1 567 . 14 1 1 A 56 56 GLY C C 56 173.100 174.364 -1.264 1
1 568 . 14 1 1 A 56 56 GLY CA C 56 45.600 47.318 -1.718 1
1 569 . 14 1 1 A 57 57 GLN H H 57 7.380 7.999 -0.619 1
1 570 . 14 1 1 A 57 57 GLN HA H 57 4.660 4.414 0.246 1
1 576 . 14 1 1 A 57 57 GLN C C 57 173.800 175.844 -2.044 1
1 577 . 14 1 1 A 57 57 GLN CA C 57 53.400 55.914 -2.514 1
1 578 . 14 1 1 A 57 57 GLN CB C 57 31.600 29.834 1.766 1
1 580 . 14 1 1 A 57 57 GLN N N 57 116.300 124.423 -8.123 1
1 582 . 14 1 1 A 58 58 LEU H H 58 8.100 7.842 0.258 1
1 583 . 14 1 1 A 58 58 LEU HA H 58 3.250 3.981 -0.731 1
1 593 . 14 1 1 A 58 58 LEU C C 58 174.200 176.248 -2.048 1
1 594 . 14 1 1 A 58 58 LEU CA C 58 55.500 54.445 1.055 1
1 595 . 14 1 1 A 58 58 LEU CB C 58 39.900 41.630 -1.730 1
1 599 . 14 1 1 A 58 58 LEU N N 58 124.400 120.444 3.956 1
1 600 . 14 1 1 A 59 59 ARG H H 59 8.360 8.701 -0.341 1
1 601 . 14 1 1 A 59 59 ARG HA H 59 4.470 4.581 -0.111 1
1 608 . 14 1 1 A 59 59 ARG C C 59 174.000 174.184 -0.184 1
1 609 . 14 1 1 A 59 59 ARG CA C 59 54.200 55.515 -1.315 1
1 610 . 14 1 1 A 59 59 ARG CB C 59 33.000 31.551 1.449 1
1 613 . 14 1 1 A 59 59 ARG N N 59 130.500 122.264 8.236 1
1 614 . 14 1 1 A 60 60 LEU H H 60 8.480 8.830 -0.350 1
1 615 . 14 1 1 A 60 60 LEU HA H 60 5.260 4.852 0.408 1
1 625 . 14 1 1 A 60 60 LEU C C 60 176.000 174.648 1.352 1
1 626 . 14 1 1 A 60 60 LEU CA C 60 52.500 53.617 -1.117 1
1 627 . 14 1 1 A 60 60 LEU CB C 60 44.200 44.212 -0.012 1
1 631 . 14 1 1 A 60 60 LEU N N 60 122.400 126.589 -4.189 1
1 632 . 14 1 1 A 61 61 LYS H H 61 8.900 9.264 -0.364 1
1 633 . 14 1 1 A 61 61 LYS HA H 61 4.160 4.856 -0.696 1
1 642 . 14 1 1 A 61 61 LYS C C 61 174.200 174.742 -0.542 1
1 643 . 14 1 1 A 61 61 LYS CA C 61 54.800 54.047 0.753 1
1 644 . 14 1 1 A 61 61 LYS CB C 61 36.600 35.232 1.368 1
1 648 . 14 1 1 A 61 61 LYS N N 61 123.800 127.043 -3.243 1
1 649 . 14 1 1 A 62 62 GLY H H 62 8.140 7.743 0.397 1
1 650 . 14 1 1 A 62 62 GLY HA2 H 62 4.160 3.315 0.845 1
1 651 . 14 1 1 A 62 62 GLY HA3 H 62 4.160 3.901 0.259 1
1 652 . 14 1 1 A 62 62 GLY C C 62 172.000 171.324 0.676 1
1 653 . 14 1 1 A 62 62 GLY CA C 62 43.000 43.242 -0.242 1
1 654 . 14 1 1 A 62 62 GLY N N 62 114.000 110.898 3.102 1
1 655 . 14 1 1 A 63 63 PHE H H 63 8.500 8.882 -0.382 1
1 656 . 14 1 1 A 63 63 PHE HA H 63 4.800 5.012 -0.212 1
1 664 . 14 1 1 A 63 63 PHE C C 63 175.400 174.397 1.003 1
1 665 . 14 1 1 A 63 63 PHE CA C 63 55.800 56.194 -0.394 1
1 666 . 14 1 1 A 63 63 PHE CB C 63 46.200 43.842 2.358 1
1 670 . 14 1 1 A 63 63 PHE N N 63 118.600 120.724 -2.124 1
1 671 . 14 1 1 A 64 64 PHE H H 64 9.930 8.864 1.066 1
1 672 . 14 1 1 A 64 64 PHE HA H 64 5.460 5.216 0.244 1
1 679 . 14 1 1 A 64 64 PHE C C 64 175.600 175.589 0.011 1
1 680 . 14 1 1 A 64 64 PHE CA C 64 57.500 57.553 -0.053 1
1 681 . 14 1 1 A 64 64 PHE CB C 64 43.100 42.225 0.875 1
1 684 . 14 1 1 A 64 64 PHE N N 64 120.100 119.325 0.775 1
1 685 . 14 1 1 A 65 65 ASP H H 65 10.950 8.926 2.024 1
1 686 . 14 1 1 A 65 65 ASP HA H 65 4.860 4.329 0.531 1
1 689 . 14 1 1 A 65 65 ASP C C 65 177.400 176.249 1.151 1
1 690 . 14 1 1 A 65 65 ASP CA C 65 56.400 55.030 1.370 1
1 691 . 14 1 1 A 65 65 ASP CB C 65 42.800 41.107 1.693 1
1 692 . 14 1 1 A 65 65 ASP N N 65 123.200 122.299 0.901 1
1 693 . 14 1 1 A 66 66 ASP H H 66 8.470 8.843 -0.373 1
1 694 . 14 1 1 A 66 66 ASP HA H 66 4.110 4.872 -0.762 1
1 697 . 14 1 1 A 66 66 ASP C C 66 175.300 174.484 0.816 1
1 698 . 14 1 1 A 66 66 ASP CA C 66 57.800 52.894 4.906 1
1 699 . 14 1 1 A 66 66 ASP CB C 66 42.000 44.412 -2.412 1
1 700 . 14 1 1 A 66 66 ASP N N 66 122.800 122.618 0.182 1
1 701 . 14 1 1 A 67 67 GLN H H 67 8.500 8.722 -0.222 1
1 702 . 14 1 1 A 67 67 GLN HA H 67 4.250 3.907 0.343 1
1 707 . 14 1 1 A 67 67 GLN C C 67 175.900 175.715 0.185 1
1 708 . 14 1 1 A 67 67 GLN CA C 67 55.400 57.067 -1.667 1
1 709 . 14 1 1 A 67 67 GLN CB C 67 28.300 26.302 1.998 1
1 711 . 14 1 1 A 68 68 ASN H H 68 7.880 8.024 -0.144 1
1 712 . 14 1 1 A 68 68 ASN HA H 68 4.430 4.569 -0.139 1
1 714 . 14 1 1 A 68 68 ASN CA C 68 53.300 55.275 -1.975 1
1 715 . 14 1 1 A 68 68 ASN CB C 68 39.300 38.554 0.746 1
1 716 . 14 1 1 A 68 68 ASN N N 68 121.500 116.720 4.780 1
1 722 . 14 1 1 A 73 73 PHE HA H 73 4.190 4.731 -0.541 1
1 730 . 14 1 1 A 73 73 PHE CA C 73 61.300 56.258 5.042 1
1 731 . 14 1 1 A 73 73 PHE CB C 73 38.600 36.743 1.857 1
1 735 . 14 1 1 A 74 74 GLU HA H 74 4.290 4.145 0.145 1
1 738 . 14 1 1 A 74 74 GLU CA C 74 56.800 59.298 -2.498 1
1 739 . 14 1 1 A 74 74 GLU CB C 74 29.900 29.557 0.343 1
1 741 . 14 1 1 A 75 75 THR HA H 75 4.180 4.808 -0.628 1
1 746 . 14 1 1 A 75 75 THR C C 75 174.100 173.324 0.776 1
1 747 . 14 1 1 A 75 75 THR CA C 75 60.700 60.995 -0.295 1
1 748 . 14 1 1 A 75 75 THR CB C 75 69.800 69.528 0.272 1
1 750 . 14 1 1 A 76 76 LYS HA H 76 3.880 4.838 -0.958 1
1 759 . 14 1 1 A 76 76 LYS CA C 76 55.900 54.728 1.172 1
1 760 . 14 1 1 A 76 76 LYS CB C 76 32.100 36.846 -4.746 1
1 764 . 14 1 1 A 77 77 ILE H H 77 9.060 8.542 0.518 1
1 765 . 14 1 1 A 77 77 ILE HA H 77 3.850 4.563 -0.713 1
1 775 . 14 1 1 A 77 77 ILE C C 77 175.900 175.754 0.146 1
1 776 . 14 1 1 A 77 77 ILE CA C 77 59.600 59.948 -0.348 1
1 777 . 14 1 1 A 77 77 ILE CB C 77 38.400 41.629 -3.229 1
1 781 . 14 1 1 A 77 77 ILE N N 77 126.900 123.276 3.624 1
1 782 . 14 1 1 A 78 78 SER H H 78 8.730 9.187 -0.457 1
1 783 . 14 1 1 A 78 78 SER HA H 78 4.140 3.993 0.147 1
1 786 . 14 1 1 A 78 78 SER C C 78 176.200 176.190 0.010 1
1 787 . 14 1 1 A 78 78 SER CA C 78 60.800 61.985 -1.185 1
1 788 . 14 1 1 A 78 78 SER CB C 78 61.200 62.620 -1.420 1
1 789 . 14 1 1 A 78 78 SER N N 78 119.000 121.188 -2.188 1
1 790 . 14 1 1 A 79 79 THR H H 79 8.050 7.957 0.093 1
1 791 . 14 1 1 A 79 79 THR HA H 79 4.580 3.920 0.660 1
1 796 . 14 1 1 A 79 79 THR C C 79 174.400 176.151 -1.751 1
1 797 . 14 1 1 A 79 79 THR CA C 79 62.200 65.365 -3.165 1
1 798 . 14 1 1 A 79 79 THR CB C 79 69.300 68.673 0.627 1
1 800 . 14 1 1 A 79 79 THR N N 79 114.300 115.069 -0.769 1
1 801 . 14 1 1 A 80 80 LEU H H 80 7.470 7.742 -0.272 1
1 802 . 14 1 1 A 80 80 LEU HA H 80 3.580 3.405 0.175 1
1 812 . 14 1 1 A 80 80 LEU C C 80 176.500 177.733 -1.233 1
1 813 . 14 1 1 A 80 80 LEU CA C 80 58.400 57.584 0.816 1
1 814 . 14 1 1 A 80 80 LEU CB C 80 41.800 41.254 0.546 1
1 818 . 14 1 1 A 80 80 LEU N N 80 123.200 121.977 1.223 1
1 819 . 14 1 1 A 81 81 ASP H H 81 8.450 8.021 0.429 1
1 820 . 14 1 1 A 81 81 ASP HA H 81 4.060 4.197 -0.137 1
1 823 . 14 1 1 A 81 81 ASP C C 81 178.700 178.227 0.473 1
1 824 . 14 1 1 A 81 81 ASP CA C 81 57.600 57.797 -0.197 1
1 825 . 14 1 1 A 81 81 ASP CB C 81 39.500 42.336 -2.836 1
1 826 . 14 1 1 A 81 81 ASP N N 81 116.000 118.841 -2.841 1
1 827 . 14 1 1 A 82 82 GLU H H 82 7.800 7.926 -0.126 1
1 828 . 14 1 1 A 82 82 GLU HA H 82 4.030 4.004 0.026 1
1 833 . 14 1 1 A 82 82 GLU C C 82 178.500 179.047 -0.547 1
1 834 . 14 1 1 A 82 82 GLU CA C 82 59.100 59.224 -0.124 1
1 835 . 14 1 1 A 82 82 GLU CB C 82 29.300 29.389 -0.089 1
1 837 . 14 1 1 A 82 82 GLU N N 82 120.400 118.924 1.476 1
1 838 . 14 1 1 A 83 83 TYR H H 83 8.190 8.182 0.008 1
1 839 . 14 1 1 A 83 83 TYR HA H 83 4.410 4.167 0.243 1
1 846 . 14 1 1 A 83 83 TYR C C 83 176.700 177.249 -0.549 1
1 847 . 14 1 1 A 83 83 TYR CA C 83 60.900 61.245 -0.345 1
1 848 . 14 1 1 A 83 83 TYR CB C 83 37.600 38.991 -1.391 1
1 851 . 14 1 1 A 83 83 TYR N N 83 122.900 121.630 1.270 1
1 852 . 14 1 1 A 84 84 ILE H H 84 8.400 8.484 -0.084 1
1 853 . 14 1 1 A 84 84 ILE HA H 84 3.240 3.478 -0.238 1
1 863 . 14 1 1 A 84 84 ILE C C 84 178.000 177.756 0.244 1
1 864 . 14 1 1 A 84 84 ILE CA C 84 60.800 65.260 -4.460 1
1 865 . 14 1 1 A 84 84 ILE CB C 84 35.500 37.563 -2.063 1
1 869 . 14 1 1 A 84 84 ILE N N 84 119.100 120.220 -1.120 1
1 870 . 14 1 1 A 85 85 TYR H H 85 7.820 7.931 -0.111 1
1 871 . 14 1 1 A 85 85 TYR HA H 85 3.910 4.044 -0.134 1
1 878 . 14 1 1 A 85 85 TYR C C 85 176.800 177.576 -0.776 1
1 879 . 14 1 1 A 85 85 TYR CA C 85 60.700 61.200 -0.500 1
1 880 . 14 1 1 A 85 85 TYR CB C 85 37.900 38.817 -0.917 1
1 883 . 14 1 1 A 85 85 TYR N N 85 119.100 121.033 -1.933 1
1 884 . 14 1 1 A 86 86 GLU H H 86 7.660 7.884 -0.224 1
1 885 . 14 1 1 A 86 86 GLU HA H 86 3.690 3.839 -0.149 1
1 890 . 14 1 1 A 86 86 GLU C C 86 177.900 175.834 2.066 1
1 891 . 14 1 1 A 86 86 GLU CA C 86 58.200 58.024 0.176 1
1 892 . 14 1 1 A 86 86 GLU CB C 86 29.500 29.472 0.028 1
1 894 . 14 1 1 A 86 86 GLU N N 86 116.700 118.162 -1.462 1
1 895 . 14 1 1 A 87 87 TYR H H 87 8.010 7.868 0.142 1
1 896 . 14 1 1 A 87 87 TYR HA H 87 4.090 4.561 -0.471 1
1 903 . 14 1 1 A 87 87 TYR C C 87 176.000 175.206 0.794 1
1 904 . 14 1 1 A 87 87 TYR CA C 87 60.100 59.235 0.865 1
1 905 . 14 1 1 A 87 87 TYR CB C 87 37.300 39.655 -2.355 1
1 908 . 14 1 1 A 87 87 TYR N N 87 114.900 114.977 -0.077 1
1 909 . 14 1 1 A 88 88 CYS H H 88 8.300 7.778 0.522 1
1 910 . 14 1 1 A 88 88 CYS HA H 88 4.760 4.932 -0.172 1
1 913 . 14 1 1 A 88 88 CYS CA C 88 53.500 55.075 -1.575 1
1 914 . 14 1 1 A 88 88 CYS CB C 88 42.000 42.347 -0.347 1
1 915 . 14 1 1 A 88 88 CYS N N 88 119.700 117.188 2.512 1
1 916 . 14 1 1 A 89 89 ASN C C 89 176.500 175.526 0.974 1
1 917 . 14 1 1 A 90 90 PHE HA H 90 4.590 4.872 -0.282 1
1 925 . 14 1 1 A 90 90 PHE CA C 90 57.400 57.589 -0.189 1
1 926 . 14 1 1 A 90 90 PHE CB C 90 38.200 41.919 -3.719 1
1 930 . 14 1 1 A 92 92 CYS HA H 92 4.660 4.679 -0.019 1
1 933 . 14 1 1 A 92 92 CYS C C 92 172.000 173.984 -1.984 1
1 934 . 14 1 1 A 92 92 CYS CA C 92 55.000 57.045 -2.045 1
1 935 . 14 1 1 A 92 92 CYS CB C 92 47.400 43.175 4.225 1
1 936 . 14 1 1 A 93 93 ALA H H 93 8.670 8.804 -0.134 1
1 937 . 14 1 1 A 93 93 ALA HA H 93 4.520 5.801 -1.281 1
1 941 . 14 1 1 A 93 93 ALA C C 93 177.400 176.051 1.349 1
1 942 . 14 1 1 A 93 93 ALA CA C 93 52.400 50.408 1.992 1
1 943 . 14 1 1 A 93 93 ALA CB C 93 19.800 22.794 -2.994 1
1 944 . 14 1 1 A 93 93 ALA N N 93 126.000 128.572 -2.572 1
1 945 . 14 1 1 A 94 94 TYR H H 94 8.460 8.283 0.177 1
1 946 . 14 1 1 A 94 94 TYR HA H 94 5.570 5.874 -0.304 1
1 953 . 14 1 1 A 94 94 TYR C C 94 171.500 173.689 -2.189 1
1 954 . 14 1 1 A 94 94 TYR CA C 94 57.200 56.354 0.846 1
1 955 . 14 1 1 A 94 94 TYR CB C 94 39.800 40.855 -1.055 1
1 958 . 14 1 1 A 94 94 TYR N N 94 116.200 116.125 0.075 1
1 959 . 14 1 1 A 95 95 PHE H H 95 9.220 8.668 0.552 1
1 960 . 14 1 1 A 95 95 PHE HA H 95 5.280 5.530 -0.250 1
1 967 . 14 1 1 A 95 95 PHE C C 95 172.900 172.817 0.083 1
1 968 . 14 1 1 A 95 95 PHE CA C 95 55.200 55.783 -0.583 1
1 969 . 14 1 1 A 95 95 PHE CB C 95 42.400 42.860 -0.460 1
1 972 . 14 1 1 A 95 95 PHE N N 95 114.100 116.607 -2.507 1
1 973 . 14 1 1 A 96 96 VAL H H 96 9.130 9.058 0.072 1
1 974 . 14 1 1 A 96 96 VAL HA H 96 4.860 4.992 -0.132 1
1 982 . 14 1 1 A 96 96 VAL C C 96 174.800 174.627 0.173 1
1 983 . 14 1 1 A 96 96 VAL CA C 96 61.400 61.288 0.112 1
1 984 . 14 1 1 A 96 96 VAL CB C 96 35.100 34.693 0.407 1
1 987 . 14 1 1 A 96 96 VAL N N 96 118.400 120.721 -2.321 1
1 988 . 14 1 1 A 97 97 LEU H H 97 9.610 9.522 0.088 1
1 989 . 14 1 1 A 97 97 LEU HA H 97 5.380 5.563 -0.183 1
1 999 . 14 1 1 A 97 97 LEU C C 97 175.700 175.236 0.464 1
1 1000 . 14 1 1 A 97 97 LEU CA C 97 52.100 53.039 -0.939 1
1 1001 . 14 1 1 A 97 97 LEU CB C 97 44.500 44.453 0.047 1
1 1005 . 14 1 1 A 97 97 LEU N N 97 126.100 127.246 -1.146 1
1 1006 . 14 1 1 A 98 98 LYS H H 98 9.660 9.036 0.624 1
1 1007 . 14 1 1 A 98 98 LYS HA H 98 4.740 4.930 -0.190 1
1 1016 . 14 1 1 A 98 98 LYS C C 98 175.500 175.851 -0.351 1
1 1017 . 14 1 1 A 98 98 LYS CA C 98 54.400 54.422 -0.022 1
1 1018 . 14 1 1 A 98 98 LYS CB C 98 37.500 35.476 2.024 1
1 1022 . 14 1 1 A 98 98 LYS N N 98 123.900 125.061 -1.161 1
1 1023 . 14 1 1 A 99 99 ARG H H 99 8.400 7.965 0.435 1
1 1024 . 14 1 1 A 99 99 ARG HA H 99 4.040 4.714 -0.674 1
1 1031 . 14 1 1 A 99 99 ARG C C 99 174.800 176.382 -1.582 1
1 1032 . 14 1 1 A 99 99 ARG CA C 99 55.500 56.483 -0.983 1
1 1033 . 14 1 1 A 99 99 ARG CB C 99 30.000 30.881 -0.881 1
1 1036 . 14 1 1 A 99 99 ARG N N 99 128.700 127.725 0.975 1
1 1037 . 14 1 1 A 100 100 ILE H H 100 8.660 8.763 -0.103 1
1 1038 . 14 1 1 A 100 100 ILE HA H 100 4.150 4.219 -0.069 1
1 1048 . 14 1 1 A 100 100 ILE CA C 100 59.100 60.775 -1.675 1
1 1049 . 14 1 1 A 100 100 ILE CB C 100 36.300 37.782 -1.482 1
1 1053 . 14 1 1 A 100 100 ILE N N 100 130.500 127.021 3.479 1
1 1054 . 14 1 1 A 101 101 ARG C C 101 177.000 176.244 0.756 1
1 1055 . 14 1 1 A 102 102 LYS C C 102 178.900 176.211 2.689 1
1 1056 . 14 1 1 A 103 103 LEU HA H 103 4.230 4.419 -0.189 1
1 1066 . 14 1 1 A 103 103 LEU CA C 103 54.900 56.236 -1.336 1
1 1067 . 14 1 1 A 103 103 LEU CB C 103 42.100 44.507 -2.407 1
1 1071 . 14 1 1 A 104 104 GLU HA H 104 4.010 4.861 -0.851 1
1 1075 . 14 1 1 A 104 104 GLU CA C 104 58.300 55.367 2.933 1
1 1076 . 14 1 1 A 104 104 GLU CB C 104 28.300 31.346 -3.046 1
1 1 . 15 1 1 A 10 10 GLU HA H 10 4.230 4.052 0.178 1
1 6 . 15 1 1 A 10 10 GLU C C 10 176.100 176.409 -0.309 1
1 7 . 15 1 1 A 10 10 GLU CA C 10 56.800 59.111 -2.311 1
1 8 . 15 1 1 A 10 10 GLU CB C 10 30.400 30.117 0.283 1
1 10 . 15 1 1 A 11 11 ILE H H 11 8.270 8.109 0.161 1
1 11 . 15 1 1 A 11 11 ILE HA H 11 4.100 4.264 -0.164 1
1 21 . 15 1 1 A 11 11 ILE C C 11 173.900 174.753 -0.853 1
1 22 . 15 1 1 A 11 11 ILE CA C 11 60.900 60.764 0.136 1
1 23 . 15 1 1 A 11 11 ILE CB C 11 38.300 39.143 -0.843 1
1 27 . 15 1 1 A 11 11 ILE N N 11 121.800 118.574 3.226 1
1 28 . 15 1 1 A 12 12 MET H H 12 8.150 8.702 -0.552 1
1 29 . 15 1 1 A 12 12 MET HA H 12 5.250 4.876 0.374 1
1 37 . 15 1 1 A 12 12 MET C C 12 175.500 175.766 -0.266 1
1 38 . 15 1 1 A 12 12 MET CA C 12 53.100 54.975 -1.875 1
1 39 . 15 1 1 A 12 12 MET CB C 12 33.600 33.441 0.159 1
1 42 . 15 1 1 A 12 12 MET N N 12 125.200 125.814 -0.614 1
1 43 . 15 1 1 A 13 13 ILE H H 13 9.200 9.200 0.000 1
1 44 . 15 1 1 A 13 13 ILE HA H 13 4.400 4.713 -0.313 1
1 54 . 15 1 1 A 13 13 ILE C C 13 173.500 174.653 -1.153 1
1 55 . 15 1 1 A 13 13 ILE CA C 13 59.600 60.719 -1.119 1
1 56 . 15 1 1 A 13 13 ILE CB C 13 40.500 39.339 1.161 1
1 60 . 15 1 1 A 13 13 ILE N N 13 123.700 124.524 -0.824 1
1 61 . 15 1 1 A 14 14 LEU H H 14 8.550 9.106 -0.556 1
1 62 . 15 1 1 A 14 14 LEU HA H 14 5.200 5.341 -0.141 1
1 72 . 15 1 1 A 14 14 LEU C C 14 176.100 175.765 0.335 1
1 73 . 15 1 1 A 14 14 LEU CA C 14 53.700 53.729 -0.029 1
1 74 . 15 1 1 A 14 14 LEU CB C 14 43.700 42.332 1.368 1
1 78 . 15 1 1 A 14 14 LEU N N 14 128.800 128.404 0.396 1
1 79 . 15 1 1 A 15 15 ILE H H 15 8.780 9.033 -0.253 1
1 80 . 15 1 1 A 15 15 ILE HA H 15 4.350 4.529 -0.179 1
1 90 . 15 1 1 A 15 15 ILE CA C 15 58.700 60.143 -1.443 1
1 91 . 15 1 1 A 15 15 ILE CB C 15 39.800 40.817 -1.017 1
1 95 . 15 1 1 A 15 15 ILE N N 15 123.000 125.133 -2.133 1
1 96 . 15 1 1 A 16 16 GLN HA H 16 3.710 4.095 -0.385 1
1 100 . 15 1 1 A 16 16 GLN CA C 16 57.700 57.467 0.233 1
1 101 . 15 1 1 A 16 16 GLN CB C 16 26.500 27.089 -0.589 1
1 103 . 15 1 1 A 17 17 ASN HA H 17 4.460 4.281 0.179 1
1 108 . 15 1 1 A 17 17 ASN C C 17 173.300 173.727 -0.427 1
1 109 . 15 1 1 A 17 17 ASN CA C 17 53.900 54.858 -0.958 1
1 110 . 15 1 1 A 17 17 ASN CB C 17 38.100 37.174 0.926 1
1 112 . 15 1 1 A 18 18 ALA H H 18 8.450 7.808 0.642 1
1 113 . 15 1 1 A 18 18 ALA HA H 18 4.250 4.559 -0.309 1
1 117 . 15 1 1 A 18 18 ALA C C 18 174.000 175.085 -1.085 1
1 118 . 15 1 1 A 18 18 ALA CA C 18 51.600 50.176 1.424 1
1 119 . 15 1 1 A 18 18 ALA CB C 18 20.500 21.143 -0.643 1
1 120 . 15 1 1 A 18 18 ALA N N 18 125.200 120.680 4.520 1
1 121 . 15 1 1 A 19 19 GLU H H 19 7.930 8.693 -0.763 1
1 122 . 15 1 1 A 19 19 GLU HA H 19 5.000 4.769 0.231 1
1 127 . 15 1 1 A 19 19 GLU C C 19 174.500 175.040 -0.540 1
1 128 . 15 1 1 A 19 19 GLU CA C 19 54.400 54.512 -0.112 1
1 129 . 15 1 1 A 19 19 GLU CB C 19 32.500 30.899 1.601 1
1 131 . 15 1 1 A 19 19 GLU N N 19 121.700 123.888 -2.188 1
1 132 . 15 1 1 A 20 20 PHE H H 20 9.110 8.990 0.120 1
1 133 . 15 1 1 A 20 20 PHE HA H 20 5.340 5.629 -0.289 1
1 141 . 15 1 1 A 20 20 PHE C C 20 173.900 174.399 -0.499 1
1 142 . 15 1 1 A 20 20 PHE CA C 20 55.800 56.726 -0.926 1
1 143 . 15 1 1 A 20 20 PHE CB C 20 44.800 43.718 1.082 1
1 147 . 15 1 1 A 20 20 PHE N N 20 120.100 125.832 -5.732 1
1 148 . 15 1 1 A 21 21 GLU H H 21 9.200 9.044 0.156 1
1 149 . 15 1 1 A 21 21 GLU HA H 21 5.040 5.196 -0.156 1
1 154 . 15 1 1 A 21 21 GLU C C 21 176.200 174.501 1.699 1
1 155 . 15 1 1 A 21 21 GLU CA C 21 53.700 54.763 -1.063 1
1 156 . 15 1 1 A 21 21 GLU CB C 21 33.600 33.707 -0.107 1
1 158 . 15 1 1 A 21 21 GLU N N 21 120.800 118.616 2.184 1
1 159 . 15 1 1 A 22 22 LEU H H 22 8.590 8.562 0.028 1
1 160 . 15 1 1 A 22 22 LEU HA H 22 4.420 4.389 0.031 1
1 170 . 15 1 1 A 22 22 LEU C C 22 175.200 176.849 -1.649 1
1 171 . 15 1 1 A 22 22 LEU CA C 22 54.900 54.826 0.074 1
1 172 . 15 1 1 A 22 22 LEU CB C 22 41.000 41.623 -0.623 1
1 176 . 15 1 1 A 22 22 LEU N N 22 127.900 124.425 3.475 1
1 177 . 15 1 1 A 23 23 VAL H H 23 8.350 8.889 -0.539 1
1 178 . 15 1 1 A 23 23 VAL HA H 23 4.460 4.326 0.134 1
1 186 . 15 1 1 A 23 23 VAL C C 23 175.500 175.764 -0.264 1
1 187 . 15 1 1 A 23 23 VAL CA C 23 62.100 62.562 -0.462 1
1 188 . 15 1 1 A 23 23 VAL CB C 23 32.600 32.786 -0.186 1
1 191 . 15 1 1 A 23 23 VAL N N 23 122.700 122.092 0.608 1
1 192 . 15 1 1 A 24 24 HIS H H 24 7.590 7.096 0.494 1
1 193 . 15 1 1 A 24 24 HIS HA H 24 4.750 4.787 -0.037 1
1 197 . 15 1 1 A 24 24 HIS CA C 24 56.800 56.194 0.606 1
1 198 . 15 1 1 A 24 24 HIS CB C 24 34.800 32.938 1.862 1
1 200 . 15 1 1 A 24 24 HIS N N 24 118.300 120.752 -2.452 1
1 201 . 15 1 1 A 25 25 ASN HA H 25 5.070 5.518 -0.448 1
1 206 . 15 1 1 A 25 25 ASN C C 25 172.500 172.930 -0.430 1
1 207 . 15 1 1 A 25 25 ASN CA C 25 52.000 51.635 0.365 1
1 208 . 15 1 1 A 25 25 ASN CB C 25 40.400 42.431 -2.031 1
1 210 . 15 1 1 A 26 26 PHE H H 26 9.000 8.885 0.115 1
1 211 . 15 1 1 A 26 26 PHE HA H 26 4.540 4.667 -0.127 1
1 219 . 15 1 1 A 26 26 PHE C C 26 174.500 174.717 -0.217 1
1 220 . 15 1 1 A 26 26 PHE CA C 26 57.100 57.138 -0.038 1
1 221 . 15 1 1 A 26 26 PHE CB C 26 40.900 42.031 -1.131 1
1 225 . 15 1 1 A 26 26 PHE N N 26 128.200 125.780 2.420 1
1 226 . 15 1 1 A 27 27 LYS H H 27 8.700 8.796 -0.096 1
1 227 . 15 1 1 A 27 27 LYS HA H 27 3.290 3.765 -0.475 1
1 236 . 15 1 1 A 27 27 LYS C C 27 174.500 175.155 -0.655 1
1 237 . 15 1 1 A 27 27 LYS CA C 27 56.800 57.186 -0.386 1
1 238 . 15 1 1 A 27 27 LYS CB C 27 29.500 31.475 -1.975 1
1 242 . 15 1 1 A 27 27 LYS N N 27 126.000 126.673 -0.673 1
1 243 . 15 1 1 A 28 28 ASP H H 28 8.560 8.308 0.252 1
1 244 . 15 1 1 A 28 28 ASP HA H 28 4.080 4.320 -0.240 1
1 247 . 15 1 1 A 28 28 ASP C C 28 174.700 176.930 -2.230 1
1 248 . 15 1 1 A 28 28 ASP CA C 28 54.800 55.152 -0.352 1
1 249 . 15 1 1 A 28 28 ASP CB C 28 39.100 40.159 -1.059 1
1 250 . 15 1 1 A 28 28 ASP N N 28 112.300 117.797 -5.497 1
1 251 . 15 1 1 A 29 29 GLY H H 29 7.160 7.724 -0.564 1
1 252 . 15 1 1 A 29 29 GLY HA2 H 29 3.490 3.632 -0.142 1
1 253 . 15 1 1 A 29 29 GLY HA3 H 29 3.780 4.057 -0.277 1
1 254 . 15 1 1 A 29 29 GLY C C 29 174.800 174.651 0.149 1
1 255 . 15 1 1 A 29 29 GLY CA C 29 47.600 46.042 1.558 1
1 256 . 15 1 1 A 29 29 GLY N N 29 101.900 107.079 -5.179 1
1 257 . 15 1 1 A 30 30 PHE H H 30 9.400 7.747 1.653 1
1 258 . 15 1 1 A 30 30 PHE HA H 30 3.380 3.564 -0.184 1
1 266 . 15 1 1 A 30 30 PHE CA C 30 60.700 58.591 2.109 1
1 267 . 15 1 1 A 30 30 PHE CB C 30 37.700 39.287 -1.587 1
1 271 . 15 1 1 A 30 30 PHE N N 30 120.800 121.600 -0.800 1
1 272 . 15 1 1 A 31 31 ASN H H 31 5.090 7.669 -2.579 1
1 273 . 15 1 1 A 31 31 ASN HA H 31 4.220 4.856 -0.636 1
1 276 . 15 1 1 A 31 31 ASN CA C 31 52.400 51.693 0.707 1
1 277 . 15 1 1 A 31 31 ASN CB C 31 41.100 40.342 0.758 1
1 278 . 15 1 1 A 31 31 ASN N N 31 125.400 125.293 0.107 1
1 279 . 15 1 1 A 32 32 GLU HA H 32 3.290 3.550 -0.260 1
1 284 . 15 1 1 A 32 32 GLU C C 32 176.900 177.985 -1.085 1
1 285 . 15 1 1 A 32 32 GLU CA C 32 60.600 60.094 0.506 1
1 286 . 15 1 1 A 32 32 GLU CB C 32 29.500 29.325 0.175 1
1 288 . 15 1 1 A 33 33 GLU H H 33 8.320 8.349 -0.029 1
1 289 . 15 1 1 A 33 33 GLU HA H 33 3.880 4.067 -0.187 1
1 294 . 15 1 1 A 33 33 GLU C C 33 179.300 178.531 0.769 1
1 295 . 15 1 1 A 33 33 GLU CA C 33 59.600 59.213 0.387 1
1 296 . 15 1 1 A 33 33 GLU CB C 33 28.700 29.416 -0.716 1
1 298 . 15 1 1 A 33 33 GLU N N 33 119.000 117.470 1.530 1
1 299 . 15 1 1 A 34 34 ALA H H 34 8.330 7.771 0.559 1
1 300 . 15 1 1 A 34 34 ALA HA H 34 4.130 4.154 -0.024 1
1 304 . 15 1 1 A 34 34 ALA C C 34 179.600 179.681 -0.081 1
1 305 . 15 1 1 A 34 34 ALA CA C 34 54.400 54.950 -0.550 1
1 306 . 15 1 1 A 34 34 ALA CB C 34 18.400 18.508 -0.108 1
1 307 . 15 1 1 A 34 34 ALA N N 34 122.200 122.191 0.009 1
1 308 . 15 1 1 A 35 35 PHE H H 35 8.040 8.232 -0.192 1
1 309 . 15 1 1 A 35 35 PHE HA H 35 4.020 4.281 -0.261 1
1 317 . 15 1 1 A 35 35 PHE C C 35 176.100 177.739 -1.639 1
1 318 . 15 1 1 A 35 35 PHE CA C 35 61.000 61.107 -0.107 1
1 319 . 15 1 1 A 35 35 PHE CB C 35 39.000 39.291 -0.291 1
1 323 . 15 1 1 A 35 35 PHE N N 35 117.100 120.585 -3.485 1
1 324 . 15 1 1 A 36 36 LYS H H 36 8.490 8.597 -0.107 1
1 325 . 15 1 1 A 36 36 LYS HA H 36 3.320 3.951 -0.631 1
1 334 . 15 1 1 A 36 36 LYS C C 36 178.000 178.508 -0.508 1
1 335 . 15 1 1 A 36 36 LYS CA C 36 59.800 58.716 1.084 1
1 336 . 15 1 1 A 36 36 LYS CB C 36 32.100 31.411 0.689 1
1 340 . 15 1 1 A 36 36 LYS N N 36 118.100 118.425 -0.325 1
1 341 . 15 1 1 A 37 37 ALA H H 37 7.450 7.618 -0.168 1
1 342 . 15 1 1 A 37 37 ALA HA H 37 4.130 4.161 -0.031 1
1 346 . 15 1 1 A 37 37 ALA C C 37 178.500 178.880 -0.380 1
1 347 . 15 1 1 A 37 37 ALA CA C 37 53.600 54.759 -1.159 1
1 348 . 15 1 1 A 37 37 ALA CB C 37 18.500 18.376 0.124 1
1 349 . 15 1 1 A 37 37 ALA N N 37 117.700 122.267 -4.567 1
1 350 . 15 1 1 A 38 38 ARG H H 38 7.160 7.320 -0.160 1
1 351 . 15 1 1 A 38 38 ARG HA H 38 4.340 4.325 0.015 1
1 358 . 15 1 1 A 38 38 ARG C C 38 175.400 175.748 -0.348 1
1 359 . 15 1 1 A 38 38 ARG CA C 38 54.200 55.701 -1.501 1
1 360 . 15 1 1 A 38 38 ARG CB C 38 31.400 30.893 0.507 1
1 363 . 15 1 1 A 38 38 ARG N N 38 114.800 115.079 -0.279 1
1 364 . 15 1 1 A 39 39 TYR H H 39 7.510 7.371 0.139 1
1 365 . 15 1 1 A 39 39 TYR HA H 39 3.350 4.201 -0.851 1
1 372 . 15 1 1 A 39 39 TYR C C 39 173.700 175.031 -1.331 1
1 373 . 15 1 1 A 39 39 TYR CA C 39 60.800 59.429 1.371 1
1 374 . 15 1 1 A 39 39 TYR CB C 39 38.000 38.926 -0.926 1
1 377 . 15 1 1 A 39 39 TYR N N 39 122.600 123.037 -0.437 1
1 378 . 15 1 1 A 40 40 SER H H 40 5.730 7.826 -2.096 1
1 379 . 15 1 1 A 40 40 SER HA H 40 4.470 4.830 -0.360 1
1 382 . 15 1 1 A 40 40 SER CA C 40 56.100 56.043 0.057 1
1 383 . 15 1 1 A 40 40 SER CB C 40 65.100 64.851 0.249 1
1 384 . 15 1 1 A 40 40 SER N N 40 119.100 121.052 -1.952 1
1 385 . 15 1 1 A 41 41 ASP HA H 41 4.210 4.267 -0.057 1
1 388 . 15 1 1 A 41 41 ASP CA C 41 56.700 57.343 -0.643 1
1 389 . 15 1 1 A 41 41 ASP CB C 41 40.500 40.329 0.171 1
1 390 . 15 1 1 A 42 42 ILE HA H 42 4.030 3.810 0.220 1
1 400 . 15 1 1 A 42 42 ILE C C 42 176.600 177.889 -1.289 1
1 401 . 15 1 1 A 42 42 ILE CA C 42 63.200 63.674 -0.474 1
1 402 . 15 1 1 A 42 42 ILE CB C 42 37.600 37.744 -0.144 1
1 406 . 15 1 1 A 43 43 LEU H H 43 7.700 7.881 -0.181 1
1 407 . 15 1 1 A 43 43 LEU HA H 43 4.560 4.411 0.149 1
1 417 . 15 1 1 A 43 43 LEU C C 43 178.000 179.384 -1.384 1
1 418 . 15 1 1 A 43 43 LEU CA C 43 54.700 57.473 -2.773 1
1 419 . 15 1 1 A 43 43 LEU CB C 43 40.800 40.859 -0.059 1
1 423 . 15 1 1 A 43 43 LEU N N 43 117.500 121.267 -3.767 1
1 424 . 15 1 1 A 44 44 ASN H H 44 7.870 8.385 -0.515 1
1 425 . 15 1 1 A 44 44 ASN HA H 44 4.480 4.808 -0.328 1
1 428 . 15 1 1 A 44 44 ASN CA C 44 55.300 55.999 -0.699 1
1 429 . 15 1 1 A 44 44 ASN CB C 44 38.200 39.189 -0.989 1
1 430 . 15 1 1 A 44 44 ASN N N 44 118.400 118.228 0.172 1
1 431 . 15 1 1 A 45 45 LYS HA H 45 4.200 4.157 0.043 1
1 440 . 15 1 1 A 45 45 LYS C C 45 176.200 178.144 -1.944 1
1 441 . 15 1 1 A 45 45 LYS CA C 45 56.500 58.119 -1.619 1
1 442 . 15 1 1 A 45 45 LYS CB C 45 32.000 31.075 0.925 1
1 446 . 15 1 1 A 46 46 TYR H H 46 6.770 7.625 -0.855 1
1 447 . 15 1 1 A 46 46 TYR HA H 46 3.900 4.188 -0.288 1
1 454 . 15 1 1 A 46 46 TYR C C 46 175.500 175.608 -0.108 1
1 455 . 15 1 1 A 46 46 TYR CA C 46 59.200 59.923 -0.723 1
1 456 . 15 1 1 A 46 46 TYR CB C 46 38.700 39.232 -0.532 1
1 459 . 15 1 1 A 46 46 TYR N N 46 117.400 118.493 -1.093 1
1 460 . 15 1 1 A 47 47 ASP H H 47 7.540 7.756 -0.216 1
1 461 . 15 1 1 A 47 47 ASP HA H 47 4.880 4.700 0.180 1
1 464 . 15 1 1 A 47 47 ASP C C 47 175.100 174.202 0.898 1
1 465 . 15 1 1 A 47 47 ASP CA C 47 56.100 55.795 0.305 1
1 466 . 15 1 1 A 47 47 ASP CB C 47 43.100 39.559 3.541 1
1 467 . 15 1 1 A 47 47 ASP N N 47 118.300 117.459 0.841 1
1 468 . 15 1 1 A 48 48 TYR H H 48 8.640 8.161 0.479 1
1 469 . 15 1 1 A 48 48 TYR HA H 48 5.670 5.532 0.138 1
1 476 . 15 1 1 A 48 48 TYR C C 48 174.700 174.777 -0.077 1
1 477 . 15 1 1 A 48 48 TYR CA C 48 55.900 56.871 -0.971 1
1 478 . 15 1 1 A 48 48 TYR CB C 48 43.500 40.988 2.512 1
1 481 . 15 1 1 A 48 48 TYR N N 48 116.700 118.803 -2.103 1
1 482 . 15 1 1 A 49 49 ILE H H 49 9.130 9.096 0.034 1
1 483 . 15 1 1 A 49 49 ILE HA H 49 4.660 4.814 -0.154 1
1 493 . 15 1 1 A 49 49 ILE C C 49 173.900 174.938 -1.038 1
1 494 . 15 1 1 A 49 49 ILE CA C 49 59.400 59.928 -0.528 1
1 495 . 15 1 1 A 49 49 ILE CB C 49 40.700 40.220 0.480 1
1 499 . 15 1 1 A 49 49 ILE N N 49 119.500 123.913 -4.413 1
1 500 . 15 1 1 A 50 50 VAL H H 50 9.220 9.344 -0.124 1
1 501 . 15 1 1 A 50 50 VAL HA H 50 4.860 4.963 -0.103 1
1 509 . 15 1 1 A 50 50 VAL C C 50 175.200 174.939 0.261 1
1 510 . 15 1 1 A 50 50 VAL CA C 50 60.100 60.768 -0.668 1
1 511 . 15 1 1 A 50 50 VAL CB C 50 33.400 32.956 0.444 1
1 514 . 15 1 1 A 50 50 VAL N N 50 128.600 128.941 -0.341 1
1 515 . 15 1 1 A 51 51 GLY H H 51 7.860 7.997 -0.137 1
1 516 . 15 1 1 A 51 51 GLY HA2 H 51 5.420 3.365 2.055 1
1 517 . 15 1 1 A 51 51 GLY HA3 H 51 2.080 3.842 -1.762 1
1 518 . 15 1 1 A 51 51 GLY C C 51 170.700 172.355 -1.655 1
1 519 . 15 1 1 A 51 51 GLY CA C 51 43.600 44.337 -0.737 1
1 520 . 15 1 1 A 51 51 GLY N N 51 116.100 114.378 1.722 1
1 521 . 15 1 1 A 52 52 ASP H H 52 8.940 8.734 0.206 1
1 522 . 15 1 1 A 52 52 ASP HA H 52 5.540 5.527 0.013 1
1 525 . 15 1 1 A 52 52 ASP C C 52 174.200 176.121 -1.921 1
1 526 . 15 1 1 A 52 52 ASP CA C 52 53.000 52.367 0.633 1
1 527 . 15 1 1 A 52 52 ASP CB C 52 47.100 43.301 3.799 1
1 528 . 15 1 1 A 52 52 ASP N N 52 121.200 121.278 -0.078 1
1 529 . 15 1 1 A 53 53 TRP H H 53 7.980 9.052 -1.072 1
1 530 . 15 1 1 A 53 53 TRP HA H 53 4.950 5.189 -0.239 1
1 539 . 15 1 1 A 53 53 TRP C C 53 178.500 177.314 1.186 1
1 540 . 15 1 1 A 53 53 TRP CA C 53 56.200 56.719 -0.519 1
1 541 . 15 1 1 A 53 53 TRP CB C 53 28.500 29.568 -1.068 1
1 547 . 15 1 1 A 53 53 TRP N N 53 119.900 119.821 0.079 1
1 549 . 15 1 1 A 54 54 GLY H H 54 10.320 8.281 2.039 1
1 550 . 15 1 1 A 54 54 GLY HA2 H 54 4.020 3.287 0.733 1
1 551 . 15 1 1 A 54 54 GLY HA3 H 54 4.020 3.574 0.446 1
1 552 . 15 1 1 A 54 54 GLY CA C 54 48.600 47.217 1.383 1
1 553 . 15 1 1 A 54 54 GLY N N 54 115.400 109.370 6.030 1
1 554 . 15 1 1 A 55 55 TYR HA H 55 4.890 4.762 0.128 1
1 561 . 15 1 1 A 55 55 TYR CA C 55 56.800 58.003 -1.203 1
1 562 . 15 1 1 A 55 55 TYR CB C 55 38.100 39.073 -0.973 1
1 565 . 15 1 1 A 56 56 GLY HA2 H 56 3.850 4.116 -0.266 1
1 566 . 15 1 1 A 56 56 GLY HA3 H 56 4.360 4.220 0.140 1
1 567 . 15 1 1 A 56 56 GLY C C 56 173.100 174.140 -1.040 1
1 568 . 15 1 1 A 56 56 GLY CA C 56 45.600 45.941 -0.341 1
1 569 . 15 1 1 A 57 57 GLN H H 57 7.380 7.981 -0.601 1
1 570 . 15 1 1 A 57 57 GLN HA H 57 4.660 4.547 0.113 1
1 576 . 15 1 1 A 57 57 GLN C C 57 173.800 174.079 -0.279 1
1 577 . 15 1 1 A 57 57 GLN CA C 57 53.400 54.493 -1.093 1
1 578 . 15 1 1 A 57 57 GLN CB C 57 31.600 30.640 0.960 1
1 580 . 15 1 1 A 57 57 GLN N N 57 116.300 119.807 -3.507 1
1 582 . 15 1 1 A 58 58 LEU H H 58 8.100 8.424 -0.324 1
1 583 . 15 1 1 A 58 58 LEU HA H 58 3.250 4.537 -1.287 1
1 593 . 15 1 1 A 58 58 LEU C C 58 174.200 175.050 -0.850 1
1 594 . 15 1 1 A 58 58 LEU CA C 58 55.500 53.964 1.536 1
1 595 . 15 1 1 A 58 58 LEU CB C 58 39.900 42.383 -2.483 1
1 599 . 15 1 1 A 58 58 LEU N N 58 124.400 127.961 -3.561 1
1 600 . 15 1 1 A 59 59 ARG H H 59 8.360 8.384 -0.024 1
1 601 . 15 1 1 A 59 59 ARG HA H 59 4.470 5.060 -0.590 1
1 608 . 15 1 1 A 59 59 ARG C C 59 174.000 174.625 -0.625 1
1 609 . 15 1 1 A 59 59 ARG CA C 59 54.200 53.871 0.329 1
1 610 . 15 1 1 A 59 59 ARG CB C 59 33.000 33.690 -0.690 1
1 613 . 15 1 1 A 59 59 ARG N N 59 130.500 125.460 5.040 1
1 614 . 15 1 1 A 60 60 LEU H H 60 8.480 8.896 -0.416 1
1 615 . 15 1 1 A 60 60 LEU HA H 60 5.260 4.835 0.425 1
1 625 . 15 1 1 A 60 60 LEU C C 60 176.000 175.191 0.809 1
1 626 . 15 1 1 A 60 60 LEU CA C 60 52.500 53.813 -1.313 1
1 627 . 15 1 1 A 60 60 LEU CB C 60 44.200 42.679 1.521 1
1 631 . 15 1 1 A 60 60 LEU N N 60 122.400 123.711 -1.311 1
1 632 . 15 1 1 A 61 61 LYS H H 61 8.900 9.169 -0.269 1
1 633 . 15 1 1 A 61 61 LYS HA H 61 4.160 4.690 -0.530 1
1 642 . 15 1 1 A 61 61 LYS C C 61 174.200 175.601 -1.401 1
1 643 . 15 1 1 A 61 61 LYS CA C 61 54.800 54.098 0.702 1
1 644 . 15 1 1 A 61 61 LYS CB C 61 36.600 34.628 1.972 1
1 648 . 15 1 1 A 61 61 LYS N N 61 123.800 125.438 -1.638 1
1 649 . 15 1 1 A 62 62 GLY H H 62 8.140 8.398 -0.258 1
1 650 . 15 1 1 A 62 62 GLY HA2 H 62 4.160 2.560 1.600 1
1 651 . 15 1 1 A 62 62 GLY HA3 H 62 4.160 3.640 0.520 1
1 652 . 15 1 1 A 62 62 GLY C C 62 172.000 172.174 -0.174 1
1 653 . 15 1 1 A 62 62 GLY CA C 62 43.000 43.851 -0.851 1
1 654 . 15 1 1 A 62 62 GLY N N 62 114.000 112.522 1.478 1
1 655 . 15 1 1 A 63 63 PHE H H 63 8.500 8.483 0.017 1
1 656 . 15 1 1 A 63 63 PHE HA H 63 4.800 5.118 -0.318 1
1 664 . 15 1 1 A 63 63 PHE C C 63 175.400 174.235 1.165 1
1 665 . 15 1 1 A 63 63 PHE CA C 63 55.800 56.187 -0.387 1
1 666 . 15 1 1 A 63 63 PHE CB C 63 46.200 43.971 2.229 1
1 670 . 15 1 1 A 63 63 PHE N N 63 118.600 120.908 -2.308 1
1 671 . 15 1 1 A 64 64 PHE H H 64 9.930 8.940 0.990 1
1 672 . 15 1 1 A 64 64 PHE HA H 64 5.460 5.215 0.245 1
1 679 . 15 1 1 A 64 64 PHE C C 64 175.600 175.077 0.523 1
1 680 . 15 1 1 A 64 64 PHE CA C 64 57.500 56.387 1.113 1
1 681 . 15 1 1 A 64 64 PHE CB C 64 43.100 42.475 0.625 1
1 684 . 15 1 1 A 64 64 PHE N N 64 120.100 118.860 1.240 1
1 685 . 15 1 1 A 65 65 ASP H H 65 10.950 8.846 2.104 1
1 686 . 15 1 1 A 65 65 ASP HA H 65 4.860 4.384 0.476 1
1 689 . 15 1 1 A 65 65 ASP C C 65 177.400 175.893 1.507 1
1 690 . 15 1 1 A 65 65 ASP CA C 65 56.400 54.352 2.048 1
1 691 . 15 1 1 A 65 65 ASP CB C 65 42.800 40.496 2.304 1
1 692 . 15 1 1 A 65 65 ASP N N 65 123.200 121.773 1.427 1
1 693 . 15 1 1 A 66 66 ASP H H 66 8.470 8.921 -0.451 1
1 694 . 15 1 1 A 66 66 ASP HA H 66 4.110 4.599 -0.489 1
1 697 . 15 1 1 A 66 66 ASP C C 66 175.300 176.365 -1.065 1
1 698 . 15 1 1 A 66 66 ASP CA C 66 57.800 56.313 1.487 1
1 699 . 15 1 1 A 66 66 ASP CB C 66 42.000 41.417 0.583 1
1 700 . 15 1 1 A 66 66 ASP N N 66 122.800 123.855 -1.055 1
1 701 . 15 1 1 A 67 67 GLN H H 67 8.500 7.775 0.725 1
1 702 . 15 1 1 A 67 67 GLN HA H 67 4.250 4.441 -0.191 1
1 707 . 15 1 1 A 67 67 GLN C C 67 175.900 175.402 0.498 1
1 708 . 15 1 1 A 67 67 GLN CA C 67 55.400 54.959 0.441 1
1 709 . 15 1 1 A 67 67 GLN CB C 67 28.300 27.806 0.494 1
1 711 . 15 1 1 A 68 68 ASN H H 68 7.880 8.434 -0.554 1
1 712 . 15 1 1 A 68 68 ASN HA H 68 4.430 4.811 -0.381 1
1 714 . 15 1 1 A 68 68 ASN CA C 68 53.300 52.636 0.664 1
1 715 . 15 1 1 A 68 68 ASN CB C 68 39.300 39.588 -0.288 1
1 716 . 15 1 1 A 68 68 ASN N N 68 121.500 123.734 -2.234 1
1 722 . 15 1 1 A 73 73 PHE HA H 73 4.190 4.833 -0.643 1
1 730 . 15 1 1 A 73 73 PHE CA C 73 61.300 56.438 4.862 1
1 731 . 15 1 1 A 73 73 PHE CB C 73 38.600 39.002 -0.402 1
1 735 . 15 1 1 A 74 74 GLU HA H 74 4.290 4.362 -0.072 1
1 738 . 15 1 1 A 74 74 GLU CA C 74 56.800 56.816 -0.016 1
1 739 . 15 1 1 A 74 74 GLU CB C 74 29.900 29.122 0.778 1
1 741 . 15 1 1 A 75 75 THR HA H 75 4.180 4.710 -0.530 1
1 746 . 15 1 1 A 75 75 THR C C 75 174.100 174.510 -0.410 1
1 747 . 15 1 1 A 75 75 THR CA C 75 60.700 62.388 -1.688 1
1 748 . 15 1 1 A 75 75 THR CB C 75 69.800 70.361 -0.561 1
1 750 . 15 1 1 A 76 76 LYS HA H 76 3.880 4.185 -0.305 1
1 759 . 15 1 1 A 76 76 LYS CA C 76 55.900 55.784 0.116 1
1 760 . 15 1 1 A 76 76 LYS CB C 76 32.100 31.347 0.753 1
1 764 . 15 1 1 A 77 77 ILE H H 77 9.060 8.154 0.906 1
1 765 . 15 1 1 A 77 77 ILE HA H 77 3.850 4.044 -0.194 1
1 775 . 15 1 1 A 77 77 ILE C C 77 175.900 175.840 0.060 1
1 776 . 15 1 1 A 77 77 ILE CA C 77 59.600 61.801 -2.201 1
1 777 . 15 1 1 A 77 77 ILE CB C 77 38.400 37.202 1.198 1
1 781 . 15 1 1 A 77 77 ILE N N 77 126.900 127.426 -0.526 1
1 782 . 15 1 1 A 78 78 SER H H 78 8.730 8.940 -0.210 1
1 783 . 15 1 1 A 78 78 SER HA H 78 4.140 3.980 0.160 1
1 786 . 15 1 1 A 78 78 SER C C 78 176.200 176.843 -0.643 1
1 787 . 15 1 1 A 78 78 SER CA C 78 60.800 62.658 -1.858 1
1 788 . 15 1 1 A 78 78 SER CB C 78 61.200 62.912 -1.712 1
1 789 . 15 1 1 A 78 78 SER N N 78 119.000 121.526 -2.526 1
1 790 . 15 1 1 A 79 79 THR H H 79 8.050 7.883 0.167 1
1 791 . 15 1 1 A 79 79 THR HA H 79 4.580 4.217 0.363 1
1 796 . 15 1 1 A 79 79 THR C C 79 174.400 176.186 -1.786 1
1 797 . 15 1 1 A 79 79 THR CA C 79 62.200 66.812 -4.612 1
1 798 . 15 1 1 A 79 79 THR CB C 79 69.300 68.547 0.753 1
1 800 . 15 1 1 A 79 79 THR N N 79 114.300 118.705 -4.405 1
1 801 . 15 1 1 A 80 80 LEU H H 80 7.470 7.879 -0.409 1
1 802 . 15 1 1 A 80 80 LEU HA H 80 3.580 3.176 0.404 1
1 812 . 15 1 1 A 80 80 LEU C C 80 176.500 177.981 -1.481 1
1 813 . 15 1 1 A 80 80 LEU CA C 80 58.400 57.740 0.660 1
1 814 . 15 1 1 A 80 80 LEU CB C 80 41.800 41.144 0.656 1
1 818 . 15 1 1 A 80 80 LEU N N 80 123.200 121.402 1.798 1
1 819 . 15 1 1 A 81 81 ASP H H 81 8.450 7.923 0.527 1
1 820 . 15 1 1 A 81 81 ASP HA H 81 4.060 4.329 -0.269 1
1 823 . 15 1 1 A 81 81 ASP C C 81 178.700 178.547 0.153 1
1 824 . 15 1 1 A 81 81 ASP CA C 81 57.600 56.874 0.726 1
1 825 . 15 1 1 A 81 81 ASP CB C 81 39.500 41.164 -1.664 1
1 826 . 15 1 1 A 81 81 ASP N N 81 116.000 118.813 -2.813 1
1 827 . 15 1 1 A 82 82 GLU H H 82 7.800 7.561 0.239 1
1 828 . 15 1 1 A 82 82 GLU HA H 82 4.030 3.980 0.050 1
1 833 . 15 1 1 A 82 82 GLU C C 82 178.500 178.707 -0.207 1
1 834 . 15 1 1 A 82 82 GLU CA C 82 59.100 59.377 -0.277 1
1 835 . 15 1 1 A 82 82 GLU CB C 82 29.300 29.298 0.002 1
1 837 . 15 1 1 A 82 82 GLU N N 82 120.400 119.241 1.159 1
1 838 . 15 1 1 A 83 83 TYR H H 83 8.190 7.780 0.410 1
1 839 . 15 1 1 A 83 83 TYR HA H 83 4.410 4.228 0.182 1
1 846 . 15 1 1 A 83 83 TYR C C 83 176.700 176.996 -0.296 1
1 847 . 15 1 1 A 83 83 TYR CA C 83 60.900 61.623 -0.723 1
1 848 . 15 1 1 A 83 83 TYR CB C 83 37.600 38.855 -1.255 1
1 851 . 15 1 1 A 83 83 TYR N N 83 122.900 121.738 1.162 1
1 852 . 15 1 1 A 84 84 ILE H H 84 8.400 8.654 -0.254 1
1 853 . 15 1 1 A 84 84 ILE HA H 84 3.240 3.494 -0.254 1
1 863 . 15 1 1 A 84 84 ILE C C 84 178.000 177.746 0.254 1
1 864 . 15 1 1 A 84 84 ILE CA C 84 60.800 64.760 -3.960 1
1 865 . 15 1 1 A 84 84 ILE CB C 84 35.500 37.201 -1.701 1
1 869 . 15 1 1 A 84 84 ILE N N 84 119.100 120.427 -1.327 1
1 870 . 15 1 1 A 85 85 TYR H H 85 7.820 8.348 -0.528 1
1 871 . 15 1 1 A 85 85 TYR HA H 85 3.910 4.029 -0.119 1
1 878 . 15 1 1 A 85 85 TYR C C 85 176.800 177.950 -1.150 1
1 879 . 15 1 1 A 85 85 TYR CA C 85 60.700 61.510 -0.810 1
1 880 . 15 1 1 A 85 85 TYR CB C 85 37.900 38.930 -1.030 1
1 883 . 15 1 1 A 85 85 TYR N N 85 119.100 122.062 -2.962 1
1 884 . 15 1 1 A 86 86 GLU H H 86 7.660 7.704 -0.044 1
1 885 . 15 1 1 A 86 86 GLU HA H 86 3.690 3.692 -0.002 1
1 890 . 15 1 1 A 86 86 GLU C C 86 177.900 177.891 0.009 1
1 891 . 15 1 1 A 86 86 GLU CA C 86 58.200 58.737 -0.537 1
1 892 . 15 1 1 A 86 86 GLU CB C 86 29.500 28.805 0.695 1
1 894 . 15 1 1 A 86 86 GLU N N 86 116.700 118.006 -1.306 1
1 895 . 15 1 1 A 87 87 TYR H H 87 8.010 7.085 0.925 1
1 896 . 15 1 1 A 87 87 TYR HA H 87 4.090 4.082 0.008 1
1 903 . 15 1 1 A 87 87 TYR C C 87 176.000 176.335 -0.335 1
1 904 . 15 1 1 A 87 87 TYR CA C 87 60.100 60.060 0.040 1
1 905 . 15 1 1 A 87 87 TYR CB C 87 37.300 39.059 -1.759 1
1 908 . 15 1 1 A 87 87 TYR N N 87 114.900 116.280 -1.380 1
1 909 . 15 1 1 A 88 88 CYS H H 88 8.300 8.103 0.197 1
1 910 . 15 1 1 A 88 88 CYS HA H 88 4.760 4.720 0.040 1
1 913 . 15 1 1 A 88 88 CYS CA C 88 53.500 55.324 -1.824 1
1 914 . 15 1 1 A 88 88 CYS CB C 88 42.000 40.804 1.196 1
1 915 . 15 1 1 A 88 88 CYS N N 88 119.700 116.623 3.077 1
1 916 . 15 1 1 A 89 89 ASN C C 89 176.500 175.688 0.812 1
1 917 . 15 1 1 A 90 90 PHE HA H 90 4.590 4.889 -0.299 1
1 925 . 15 1 1 A 90 90 PHE CA C 90 57.400 59.051 -1.651 1
1 926 . 15 1 1 A 90 90 PHE CB C 90 38.200 40.715 -2.515 1
1 930 . 15 1 1 A 92 92 CYS HA H 92 4.660 5.287 -0.627 1
1 933 . 15 1 1 A 92 92 CYS C C 92 172.000 172.324 -0.324 1
1 934 . 15 1 1 A 92 92 CYS CA C 92 55.000 54.667 0.333 1
1 935 . 15 1 1 A 92 92 CYS CB C 92 47.400 46.432 0.968 1
1 936 . 15 1 1 A 93 93 ALA H H 93 8.670 8.679 -0.009 1
1 937 . 15 1 1 A 93 93 ALA HA H 93 4.520 5.389 -0.869 1
1 941 . 15 1 1 A 93 93 ALA C C 93 177.400 175.618 1.782 1
1 942 . 15 1 1 A 93 93 ALA CA C 93 52.400 51.763 0.637 1
1 943 . 15 1 1 A 93 93 ALA CB C 93 19.800 23.423 -3.623 1
1 944 . 15 1 1 A 93 93 ALA N N 93 126.000 121.840 4.160 1
1 945 . 15 1 1 A 94 94 TYR H H 94 8.460 8.558 -0.098 1
1 946 . 15 1 1 A 94 94 TYR HA H 94 5.570 5.768 -0.198 1
1 953 . 15 1 1 A 94 94 TYR C C 94 171.500 173.550 -2.050 1
1 954 . 15 1 1 A 94 94 TYR CA C 94 57.200 56.439 0.761 1
1 955 . 15 1 1 A 94 94 TYR CB C 94 39.800 40.252 -0.452 1
1 958 . 15 1 1 A 94 94 TYR N N 94 116.200 116.504 -0.304 1
1 959 . 15 1 1 A 95 95 PHE H H 95 9.220 8.759 0.461 1
1 960 . 15 1 1 A 95 95 PHE HA H 95 5.280 5.616 -0.336 1
1 967 . 15 1 1 A 95 95 PHE C C 95 172.900 172.822 0.078 1
1 968 . 15 1 1 A 95 95 PHE CA C 95 55.200 55.836 -0.636 1
1 969 . 15 1 1 A 95 95 PHE CB C 95 42.400 42.817 -0.417 1
1 972 . 15 1 1 A 95 95 PHE N N 95 114.100 116.838 -2.738 1
1 973 . 15 1 1 A 96 96 VAL H H 96 9.130 9.383 -0.253 1
1 974 . 15 1 1 A 96 96 VAL HA H 96 4.860 4.711 0.149 1
1 982 . 15 1 1 A 96 96 VAL C C 96 174.800 174.338 0.462 1
1 983 . 15 1 1 A 96 96 VAL CA C 96 61.400 61.911 -0.511 1
1 984 . 15 1 1 A 96 96 VAL CB C 96 35.100 33.462 1.638 1
1 987 . 15 1 1 A 96 96 VAL N N 96 118.400 121.807 -3.407 1
1 988 . 15 1 1 A 97 97 LEU H H 97 9.610 9.435 0.175 1
1 989 . 15 1 1 A 97 97 LEU HA H 97 5.380 5.654 -0.274 1
1 999 . 15 1 1 A 97 97 LEU C C 97 175.700 175.257 0.443 1
1 1000 . 15 1 1 A 97 97 LEU CA C 97 52.100 53.100 -1.000 1
1 1001 . 15 1 1 A 97 97 LEU CB C 97 44.500 43.754 0.746 1
1 1005 . 15 1 1 A 97 97 LEU N N 97 126.100 127.846 -1.746 1
1 1006 . 15 1 1 A 98 98 LYS H H 98 9.660 9.009 0.651 1
1 1007 . 15 1 1 A 98 98 LYS HA H 98 4.740 4.934 -0.194 1
1 1016 . 15 1 1 A 98 98 LYS C C 98 175.500 175.657 -0.157 1
1 1017 . 15 1 1 A 98 98 LYS CA C 98 54.400 54.381 0.019 1
1 1018 . 15 1 1 A 98 98 LYS CB C 98 37.500 36.055 1.445 1
1 1022 . 15 1 1 A 98 98 LYS N N 98 123.900 125.264 -1.364 1
1 1023 . 15 1 1 A 99 99 ARG H H 99 8.400 8.317 0.083 1
1 1024 . 15 1 1 A 99 99 ARG HA H 99 4.040 4.303 -0.263 1
1 1031 . 15 1 1 A 99 99 ARG C C 99 174.800 176.053 -1.253 1
1 1032 . 15 1 1 A 99 99 ARG CA C 99 55.500 56.962 -1.462 1
1 1033 . 15 1 1 A 99 99 ARG CB C 99 30.000 30.585 -0.585 1
1 1036 . 15 1 1 A 99 99 ARG N N 99 128.700 126.410 2.290 1
1 1037 . 15 1 1 A 100 100 ILE H H 100 8.660 8.975 -0.315 1
1 1038 . 15 1 1 A 100 100 ILE HA H 100 4.150 4.084 0.066 1
1 1048 . 15 1 1 A 100 100 ILE CA C 100 59.100 62.807 -3.707 1
1 1049 . 15 1 1 A 100 100 ILE CB C 100 36.300 37.991 -1.691 1
1 1053 . 15 1 1 A 100 100 ILE N N 100 130.500 127.127 3.373 1
1 1054 . 15 1 1 A 101 101 ARG C C 101 177.000 175.031 1.969 1
1 1055 . 15 1 1 A 102 102 LYS C C 102 178.900 177.002 1.898 1
1 1056 . 15 1 1 A 103 103 LEU HA H 103 4.230 3.998 0.232 1
1 1066 . 15 1 1 A 103 103 LEU CA C 103 54.900 55.173 -0.273 1
1 1067 . 15 1 1 A 103 103 LEU CB C 103 42.100 40.991 1.109 1
1 1071 . 15 1 1 A 104 104 GLU HA H 104 4.010 4.163 -0.153 1
1 1075 . 15 1 1 A 104 104 GLU CA C 104 58.300 56.406 1.894 1
1 1076 . 15 1 1 A 104 104 GLU CB C 104 28.300 29.735 -1.435 1
1 1 . 16 1 1 A 10 10 GLU HA H 10 4.230 4.056 0.174 1
1 6 . 16 1 1 A 10 10 GLU C C 10 176.100 176.561 -0.461 1
1 7 . 16 1 1 A 10 10 GLU CA C 10 56.800 59.124 -2.324 1
1 8 . 16 1 1 A 10 10 GLU CB C 10 30.400 29.854 0.546 1
1 10 . 16 1 1 A 11 11 ILE H H 11 8.270 8.101 0.169 1
1 11 . 16 1 1 A 11 11 ILE HA H 11 4.100 4.292 -0.192 1
1 21 . 16 1 1 A 11 11 ILE C C 11 173.900 174.508 -0.608 1
1 22 . 16 1 1 A 11 11 ILE CA C 11 60.900 60.715 0.185 1
1 23 . 16 1 1 A 11 11 ILE CB C 11 38.300 38.995 -0.695 1
1 27 . 16 1 1 A 11 11 ILE N N 11 121.800 118.050 3.750 1
1 28 . 16 1 1 A 12 12 MET H H 12 8.150 8.644 -0.494 1
1 29 . 16 1 1 A 12 12 MET HA H 12 5.250 4.923 0.327 1
1 37 . 16 1 1 A 12 12 MET C C 12 175.500 175.283 0.217 1
1 38 . 16 1 1 A 12 12 MET CA C 12 53.100 54.453 -1.353 1
1 39 . 16 1 1 A 12 12 MET CB C 12 33.600 33.487 0.113 1
1 42 . 16 1 1 A 12 12 MET N N 12 125.200 125.747 -0.547 1
1 43 . 16 1 1 A 13 13 ILE H H 13 9.200 9.472 -0.272 1
1 44 . 16 1 1 A 13 13 ILE HA H 13 4.400 4.587 -0.187 1
1 54 . 16 1 1 A 13 13 ILE C C 13 173.500 174.676 -1.176 1
1 55 . 16 1 1 A 13 13 ILE CA C 13 59.600 60.806 -1.206 1
1 56 . 16 1 1 A 13 13 ILE CB C 13 40.500 37.761 2.739 1
1 60 . 16 1 1 A 13 13 ILE N N 13 123.700 125.763 -2.063 1
1 61 . 16 1 1 A 14 14 LEU H H 14 8.550 9.173 -0.623 1
1 62 . 16 1 1 A 14 14 LEU HA H 14 5.200 5.525 -0.325 1
1 72 . 16 1 1 A 14 14 LEU C C 14 176.100 175.687 0.413 1
1 73 . 16 1 1 A 14 14 LEU CA C 14 53.700 53.764 -0.064 1
1 74 . 16 1 1 A 14 14 LEU CB C 14 43.700 42.444 1.256 1
1 78 . 16 1 1 A 14 14 LEU N N 14 128.800 128.461 0.339 1
1 79 . 16 1 1 A 15 15 ILE H H 15 8.780 8.992 -0.212 1
1 80 . 16 1 1 A 15 15 ILE HA H 15 4.350 4.563 -0.213 1
1 90 . 16 1 1 A 15 15 ILE CA C 15 58.700 59.991 -1.291 1
1 91 . 16 1 1 A 15 15 ILE CB C 15 39.800 40.783 -0.983 1
1 95 . 16 1 1 A 15 15 ILE N N 15 123.000 125.105 -2.105 1
1 96 . 16 1 1 A 16 16 GLN HA H 16 3.710 4.094 -0.384 1
1 100 . 16 1 1 A 16 16 GLN CA C 16 57.700 57.460 0.240 1
1 101 . 16 1 1 A 16 16 GLN CB C 16 26.500 27.248 -0.748 1
1 103 . 16 1 1 A 17 17 ASN HA H 17 4.460 4.309 0.151 1
1 108 . 16 1 1 A 17 17 ASN C C 17 173.300 173.700 -0.400 1
1 109 . 16 1 1 A 17 17 ASN CA C 17 53.900 54.710 -0.810 1
1 110 . 16 1 1 A 17 17 ASN CB C 17 38.100 37.051 1.049 1
1 112 . 16 1 1 A 18 18 ALA H H 18 8.450 7.933 0.517 1
1 113 . 16 1 1 A 18 18 ALA HA H 18 4.250 4.753 -0.503 1
1 117 . 16 1 1 A 18 18 ALA C C 18 174.000 175.218 -1.218 1
1 118 . 16 1 1 A 18 18 ALA CA C 18 51.600 50.208 1.392 1
1 119 . 16 1 1 A 18 18 ALA CB C 18 20.500 22.029 -1.529 1
1 120 . 16 1 1 A 18 18 ALA N N 18 125.200 120.036 5.164 1
1 121 . 16 1 1 A 19 19 GLU H H 19 7.930 8.615 -0.685 1
1 122 . 16 1 1 A 19 19 GLU HA H 19 5.000 4.911 0.089 1
1 127 . 16 1 1 A 19 19 GLU C C 19 174.500 175.137 -0.637 1
1 128 . 16 1 1 A 19 19 GLU CA C 19 54.400 54.639 -0.239 1
1 129 . 16 1 1 A 19 19 GLU CB C 19 32.500 31.640 0.860 1
1 131 . 16 1 1 A 19 19 GLU N N 19 121.700 122.581 -0.881 1
1 132 . 16 1 1 A 20 20 PHE H H 20 9.110 9.067 0.043 1
1 133 . 16 1 1 A 20 20 PHE HA H 20 5.340 5.482 -0.142 1
1 141 . 16 1 1 A 20 20 PHE C C 20 173.900 174.379 -0.479 1
1 142 . 16 1 1 A 20 20 PHE CA C 20 55.800 56.703 -0.903 1
1 143 . 16 1 1 A 20 20 PHE CB C 20 44.800 43.770 1.030 1
1 147 . 16 1 1 A 20 20 PHE N N 20 120.100 125.293 -5.193 1
1 148 . 16 1 1 A 21 21 GLU H H 21 9.200 8.690 0.510 1
1 149 . 16 1 1 A 21 21 GLU HA H 21 5.040 5.041 -0.001 1
1 154 . 16 1 1 A 21 21 GLU C C 21 176.200 174.388 1.812 1
1 155 . 16 1 1 A 21 21 GLU CA C 21 53.700 54.678 -0.978 1
1 156 . 16 1 1 A 21 21 GLU CB C 21 33.600 33.765 -0.165 1
1 158 . 16 1 1 A 21 21 GLU N N 21 120.800 118.682 2.118 1
1 159 . 16 1 1 A 22 22 LEU H H 22 8.590 8.679 -0.089 1
1 160 . 16 1 1 A 22 22 LEU HA H 22 4.420 4.399 0.021 1
1 170 . 16 1 1 A 22 22 LEU C C 22 175.200 176.828 -1.628 1
1 171 . 16 1 1 A 22 22 LEU CA C 22 54.900 54.493 0.407 1
1 172 . 16 1 1 A 22 22 LEU CB C 22 41.000 41.790 -0.790 1
1 176 . 16 1 1 A 22 22 LEU N N 22 127.900 124.143 3.757 1
1 177 . 16 1 1 A 23 23 VAL H H 23 8.350 8.649 -0.299 1
1 178 . 16 1 1 A 23 23 VAL HA H 23 4.460 4.350 0.110 1
1 186 . 16 1 1 A 23 23 VAL C C 23 175.500 175.906 -0.406 1
1 187 . 16 1 1 A 23 23 VAL CA C 23 62.100 62.779 -0.679 1
1 188 . 16 1 1 A 23 23 VAL CB C 23 32.600 32.852 -0.252 1
1 191 . 16 1 1 A 23 23 VAL N N 23 122.700 122.056 0.644 1
1 192 . 16 1 1 A 24 24 HIS H H 24 7.590 7.345 0.245 1
1 193 . 16 1 1 A 24 24 HIS HA H 24 4.750 4.824 -0.074 1
1 197 . 16 1 1 A 24 24 HIS CA C 24 56.800 56.231 0.569 1
1 198 . 16 1 1 A 24 24 HIS CB C 24 34.800 33.060 1.740 1
1 200 . 16 1 1 A 24 24 HIS N N 24 118.300 120.852 -2.552 1
1 201 . 16 1 1 A 25 25 ASN HA H 25 5.070 5.312 -0.242 1
1 206 . 16 1 1 A 25 25 ASN C C 25 172.500 173.357 -0.857 1
1 207 . 16 1 1 A 25 25 ASN CA C 25 52.000 51.893 0.107 1
1 208 . 16 1 1 A 25 25 ASN CB C 25 40.400 42.743 -2.343 1
1 210 . 16 1 1 A 26 26 PHE H H 26 9.000 8.688 0.312 1
1 211 . 16 1 1 A 26 26 PHE HA H 26 4.540 4.720 -0.180 1
1 219 . 16 1 1 A 26 26 PHE C C 26 174.500 174.714 -0.214 1
1 220 . 16 1 1 A 26 26 PHE CA C 26 57.100 57.421 -0.321 1
1 221 . 16 1 1 A 26 26 PHE CB C 26 40.900 42.398 -1.498 1
1 225 . 16 1 1 A 26 26 PHE N N 26 128.200 124.590 3.610 1
1 226 . 16 1 1 A 27 27 LYS H H 27 8.700 8.922 -0.222 1
1 227 . 16 1 1 A 27 27 LYS HA H 27 3.290 3.612 -0.322 1
1 236 . 16 1 1 A 27 27 LYS C C 27 174.500 174.828 -0.328 1
1 237 . 16 1 1 A 27 27 LYS CA C 27 56.800 56.814 -0.014 1
1 238 . 16 1 1 A 27 27 LYS CB C 27 29.500 30.761 -1.261 1
1 242 . 16 1 1 A 27 27 LYS N N 27 126.000 126.431 -0.431 1
1 243 . 16 1 1 A 28 28 ASP H H 28 8.560 8.375 0.185 1
1 244 . 16 1 1 A 28 28 ASP HA H 28 4.080 4.319 -0.239 1
1 247 . 16 1 1 A 28 28 ASP C C 28 174.700 176.770 -2.070 1
1 248 . 16 1 1 A 28 28 ASP CA C 28 54.800 55.502 -0.702 1
1 249 . 16 1 1 A 28 28 ASP CB C 28 39.100 39.069 0.031 1
1 250 . 16 1 1 A 28 28 ASP N N 28 112.300 112.168 0.132 1
1 251 . 16 1 1 A 29 29 GLY H H 29 7.160 7.955 -0.795 1
1 252 . 16 1 1 A 29 29 GLY HA2 H 29 3.490 3.972 -0.482 1
1 253 . 16 1 1 A 29 29 GLY HA3 H 29 3.780 4.149 -0.369 1
1 254 . 16 1 1 A 29 29 GLY C C 29 174.800 175.110 -0.310 1
1 255 . 16 1 1 A 29 29 GLY CA C 29 47.600 46.889 0.711 1
1 256 . 16 1 1 A 29 29 GLY N N 29 101.900 106.538 -4.638 1
1 257 . 16 1 1 A 30 30 PHE H H 30 9.400 7.617 1.783 1
1 258 . 16 1 1 A 30 30 PHE HA H 30 3.380 4.147 -0.767 1
1 266 . 16 1 1 A 30 30 PHE CA C 30 60.700 57.532 3.168 1
1 267 . 16 1 1 A 30 30 PHE CB C 30 37.700 38.717 -1.017 1
1 271 . 16 1 1 A 30 30 PHE N N 30 120.800 121.613 -0.813 1
1 272 . 16 1 1 A 31 31 ASN H H 31 5.090 8.009 -2.919 1
1 273 . 16 1 1 A 31 31 ASN HA H 31 4.220 4.914 -0.694 1
1 276 . 16 1 1 A 31 31 ASN CA C 31 52.400 51.666 0.734 1
1 277 . 16 1 1 A 31 31 ASN CB C 31 41.100 40.367 0.733 1
1 278 . 16 1 1 A 31 31 ASN N N 31 125.400 125.737 -0.337 1
1 279 . 16 1 1 A 32 32 GLU HA H 32 3.290 3.522 -0.232 1
1 284 . 16 1 1 A 32 32 GLU C C 32 176.900 178.012 -1.112 1
1 285 . 16 1 1 A 32 32 GLU CA C 32 60.600 59.937 0.663 1
1 286 . 16 1 1 A 32 32 GLU CB C 32 29.500 29.407 0.093 1
1 288 . 16 1 1 A 33 33 GLU H H 33 8.320 8.397 -0.077 1
1 289 . 16 1 1 A 33 33 GLU HA H 33 3.880 4.051 -0.171 1
1 294 . 16 1 1 A 33 33 GLU C C 33 179.300 178.330 0.970 1
1 295 . 16 1 1 A 33 33 GLU CA C 33 59.600 59.122 0.478 1
1 296 . 16 1 1 A 33 33 GLU CB C 33 28.700 29.391 -0.691 1
1 298 . 16 1 1 A 33 33 GLU N N 33 119.000 117.356 1.644 1
1 299 . 16 1 1 A 34 34 ALA H H 34 8.330 7.834 0.496 1
1 300 . 16 1 1 A 34 34 ALA HA H 34 4.130 4.122 0.008 1
1 304 . 16 1 1 A 34 34 ALA C C 34 179.600 179.661 -0.061 1
1 305 . 16 1 1 A 34 34 ALA CA C 34 54.400 54.948 -0.548 1
1 306 . 16 1 1 A 34 34 ALA CB C 34 18.400 18.303 0.097 1
1 307 . 16 1 1 A 34 34 ALA N N 34 122.200 122.190 0.010 1
1 308 . 16 1 1 A 35 35 PHE H H 35 8.040 8.105 -0.065 1
1 309 . 16 1 1 A 35 35 PHE HA H 35 4.020 4.237 -0.217 1
1 317 . 16 1 1 A 35 35 PHE C C 35 176.100 177.505 -1.405 1
1 318 . 16 1 1 A 35 35 PHE CA C 35 61.000 61.035 -0.035 1
1 319 . 16 1 1 A 35 35 PHE CB C 35 39.000 39.161 -0.161 1
1 323 . 16 1 1 A 35 35 PHE N N 35 117.100 120.525 -3.425 1
1 324 . 16 1 1 A 36 36 LYS H H 36 8.490 8.752 -0.262 1
1 325 . 16 1 1 A 36 36 LYS HA H 36 3.320 3.943 -0.623 1
1 334 . 16 1 1 A 36 36 LYS C C 36 178.000 177.960 0.040 1
1 335 . 16 1 1 A 36 36 LYS CA C 36 59.800 58.562 1.238 1
1 336 . 16 1 1 A 36 36 LYS CB C 36 32.100 31.546 0.554 1
1 340 . 16 1 1 A 36 36 LYS N N 36 118.100 118.230 -0.130 1
1 341 . 16 1 1 A 37 37 ALA H H 37 7.450 7.657 -0.207 1
1 342 . 16 1 1 A 37 37 ALA HA H 37 4.130 4.152 -0.022 1
1 346 . 16 1 1 A 37 37 ALA C C 37 178.500 178.207 0.293 1
1 347 . 16 1 1 A 37 37 ALA CA C 37 53.600 53.716 -0.116 1
1 348 . 16 1 1 A 37 37 ALA CB C 37 18.500 18.590 -0.090 1
1 349 . 16 1 1 A 37 37 ALA N N 37 117.700 121.072 -3.372 1
1 350 . 16 1 1 A 38 38 ARG H H 38 7.160 7.626 -0.466 1
1 351 . 16 1 1 A 38 38 ARG HA H 38 4.340 4.385 -0.045 1
1 358 . 16 1 1 A 38 38 ARG C C 38 175.400 175.622 -0.222 1
1 359 . 16 1 1 A 38 38 ARG CA C 38 54.200 55.496 -1.296 1
1 360 . 16 1 1 A 38 38 ARG CB C 38 31.400 32.092 -0.692 1
1 363 . 16 1 1 A 38 38 ARG N N 38 114.800 115.491 -0.691 1
1 364 . 16 1 1 A 39 39 TYR H H 39 7.510 7.470 0.040 1
1 365 . 16 1 1 A 39 39 TYR HA H 39 3.350 4.145 -0.795 1
1 372 . 16 1 1 A 39 39 TYR C C 39 173.700 174.610 -0.910 1
1 373 . 16 1 1 A 39 39 TYR CA C 39 60.800 59.587 1.213 1
1 374 . 16 1 1 A 39 39 TYR CB C 39 38.000 38.861 -0.861 1
1 377 . 16 1 1 A 39 39 TYR N N 39 122.600 122.762 -0.162 1
1 378 . 16 1 1 A 40 40 SER H H 40 5.730 8.011 -2.281 1
1 379 . 16 1 1 A 40 40 SER HA H 40 4.470 4.541 -0.071 1
1 382 . 16 1 1 A 40 40 SER CA C 40 56.100 57.093 -0.993 1
1 383 . 16 1 1 A 40 40 SER CB C 40 65.100 66.968 -1.868 1
1 384 . 16 1 1 A 40 40 SER N N 40 119.100 123.764 -4.664 1
1 385 . 16 1 1 A 41 41 ASP HA H 41 4.210 4.232 -0.022 1
1 388 . 16 1 1 A 41 41 ASP CA C 41 56.700 56.703 -0.003 1
1 389 . 16 1 1 A 41 41 ASP CB C 41 40.500 39.693 0.807 1
1 390 . 16 1 1 A 42 42 ILE HA H 42 4.030 3.836 0.194 1
1 400 . 16 1 1 A 42 42 ILE C C 42 176.600 177.895 -1.295 1
1 401 . 16 1 1 A 42 42 ILE CA C 42 63.200 63.207 -0.007 1
1 402 . 16 1 1 A 42 42 ILE CB C 42 37.600 37.649 -0.049 1
1 406 . 16 1 1 A 43 43 LEU H H 43 7.700 7.979 -0.279 1
1 407 . 16 1 1 A 43 43 LEU HA H 43 4.560 4.273 0.287 1
1 417 . 16 1 1 A 43 43 LEU C C 43 178.000 179.469 -1.469 1
1 418 . 16 1 1 A 43 43 LEU CA C 43 54.700 57.025 -2.325 1
1 419 . 16 1 1 A 43 43 LEU CB C 43 40.800 41.789 -0.989 1
1 423 . 16 1 1 A 43 43 LEU N N 43 117.500 120.682 -3.182 1
1 424 . 16 1 1 A 44 44 ASN H H 44 7.870 8.284 -0.414 1
1 425 . 16 1 1 A 44 44 ASN HA H 44 4.480 4.897 -0.417 1
1 428 . 16 1 1 A 44 44 ASN CA C 44 55.300 56.673 -1.373 1
1 429 . 16 1 1 A 44 44 ASN CB C 44 38.200 39.599 -1.399 1
1 430 . 16 1 1 A 44 44 ASN N N 44 118.400 118.339 0.061 1
1 431 . 16 1 1 A 45 45 LYS HA H 45 4.200 4.183 0.017 1
1 440 . 16 1 1 A 45 45 LYS C C 45 176.200 177.085 -0.885 1
1 441 . 16 1 1 A 45 45 LYS CA C 45 56.500 58.327 -1.827 1
1 442 . 16 1 1 A 45 45 LYS CB C 45 32.000 31.415 0.585 1
1 446 . 16 1 1 A 46 46 TYR H H 46 6.770 7.679 -0.909 1
1 447 . 16 1 1 A 46 46 TYR HA H 46 3.900 4.495 -0.595 1
1 454 . 16 1 1 A 46 46 TYR C C 46 175.500 174.973 0.527 1
1 455 . 16 1 1 A 46 46 TYR CA C 46 59.200 57.913 1.287 1
1 456 . 16 1 1 A 46 46 TYR CB C 46 38.700 38.719 -0.019 1
1 459 . 16 1 1 A 46 46 TYR N N 46 117.400 118.560 -1.160 1
1 460 . 16 1 1 A 47 47 ASP H H 47 7.540 8.408 -0.868 1
1 461 . 16 1 1 A 47 47 ASP HA H 47 4.880 4.293 0.587 1
1 464 . 16 1 1 A 47 47 ASP C C 47 175.100 174.086 1.014 1
1 465 . 16 1 1 A 47 47 ASP CA C 47 56.100 55.575 0.525 1
1 466 . 16 1 1 A 47 47 ASP CB C 47 43.100 40.492 2.608 1
1 467 . 16 1 1 A 47 47 ASP N N 47 118.300 119.667 -1.367 1
1 468 . 16 1 1 A 48 48 TYR H H 48 8.640 7.998 0.642 1
1 469 . 16 1 1 A 48 48 TYR HA H 48 5.670 5.821 -0.151 1
1 476 . 16 1 1 A 48 48 TYR C C 48 174.700 174.906 -0.206 1
1 477 . 16 1 1 A 48 48 TYR CA C 48 55.900 56.746 -0.846 1
1 478 . 16 1 1 A 48 48 TYR CB C 48 43.500 43.068 0.432 1
1 481 . 16 1 1 A 48 48 TYR N N 48 116.700 118.921 -2.221 1
1 482 . 16 1 1 A 49 49 ILE H H 49 9.130 9.368 -0.238 1
1 483 . 16 1 1 A 49 49 ILE HA H 49 4.660 4.754 -0.094 1
1 493 . 16 1 1 A 49 49 ILE C C 49 173.900 174.981 -1.081 1
1 494 . 16 1 1 A 49 49 ILE CA C 49 59.400 59.966 -0.566 1
1 495 . 16 1 1 A 49 49 ILE CB C 49 40.700 39.739 0.961 1
1 499 . 16 1 1 A 49 49 ILE N N 49 119.500 124.048 -4.548 1
1 500 . 16 1 1 A 50 50 VAL H H 50 9.220 9.171 0.049 1
1 501 . 16 1 1 A 50 50 VAL HA H 50 4.860 5.152 -0.292 1
1 509 . 16 1 1 A 50 50 VAL C C 50 175.200 174.827 0.373 1
1 510 . 16 1 1 A 50 50 VAL CA C 50 60.100 60.732 -0.632 1
1 511 . 16 1 1 A 50 50 VAL CB C 50 33.400 33.454 -0.054 1
1 514 . 16 1 1 A 50 50 VAL N N 50 128.600 128.857 -0.257 1
1 515 . 16 1 1 A 51 51 GLY H H 51 7.860 8.008 -0.148 1
1 516 . 16 1 1 A 51 51 GLY HA2 H 51 5.420 3.665 1.755 1
1 517 . 16 1 1 A 51 51 GLY HA3 H 51 2.080 4.013 -1.933 1
1 518 . 16 1 1 A 51 51 GLY C C 51 170.700 171.264 -0.564 1
1 519 . 16 1 1 A 51 51 GLY CA C 51 43.600 44.220 -0.620 1
1 520 . 16 1 1 A 51 51 GLY N N 51 116.100 114.559 1.541 1
1 521 . 16 1 1 A 52 52 ASP H H 52 8.940 8.312 0.628 1
1 522 . 16 1 1 A 52 52 ASP HA H 52 5.540 5.543 -0.003 1
1 525 . 16 1 1 A 52 52 ASP C C 52 174.200 176.305 -2.105 1
1 526 . 16 1 1 A 52 52 ASP CA C 52 53.000 52.703 0.297 1
1 527 . 16 1 1 A 52 52 ASP CB C 52 47.100 43.906 3.194 1
1 528 . 16 1 1 A 52 52 ASP N N 52 121.200 122.667 -1.467 1
1 529 . 16 1 1 A 53 53 TRP H H 53 7.980 9.075 -1.095 1
1 530 . 16 1 1 A 53 53 TRP HA H 53 4.950 4.466 0.484 1
1 539 . 16 1 1 A 53 53 TRP C C 53 178.500 177.306 1.194 1
1 540 . 16 1 1 A 53 53 TRP CA C 53 56.200 60.170 -3.970 1
1 541 . 16 1 1 A 53 53 TRP CB C 53 28.500 29.793 -1.293 1
1 547 . 16 1 1 A 53 53 TRP N N 53 119.900 125.227 -5.327 1
1 549 . 16 1 1 A 54 54 GLY H H 54 10.320 8.203 2.117 1
1 550 . 16 1 1 A 54 54 GLY HA2 H 54 4.020 4.005 0.015 1
1 551 . 16 1 1 A 54 54 GLY HA3 H 54 4.020 4.015 0.005 1
1 552 . 16 1 1 A 54 54 GLY CA C 54 48.600 47.494 1.106 1
1 553 . 16 1 1 A 54 54 GLY N N 54 115.400 108.683 6.717 1
1 554 . 16 1 1 A 55 55 TYR HA H 55 4.890 4.647 0.243 1
1 561 . 16 1 1 A 55 55 TYR CA C 55 56.800 60.385 -3.585 1
1 562 . 16 1 1 A 55 55 TYR CB C 55 38.100 39.868 -1.768 1
1 565 . 16 1 1 A 56 56 GLY HA2 H 56 3.850 4.160 -0.310 1
1 566 . 16 1 1 A 56 56 GLY HA3 H 56 4.360 4.310 0.050 1
1 567 . 16 1 1 A 56 56 GLY C C 56 173.100 175.234 -2.134 1
1 568 . 16 1 1 A 56 56 GLY CA C 56 45.600 45.676 -0.076 1
1 569 . 16 1 1 A 57 57 GLN H H 57 7.380 8.092 -0.712 1
1 570 . 16 1 1 A 57 57 GLN HA H 57 4.660 4.423 0.237 1
1 576 . 16 1 1 A 57 57 GLN C C 57 173.800 175.533 -1.733 1
1 577 . 16 1 1 A 57 57 GLN CA C 57 53.400 55.011 -1.611 1
1 578 . 16 1 1 A 57 57 GLN CB C 57 31.600 27.682 3.918 1
1 580 . 16 1 1 A 57 57 GLN N N 57 116.300 121.009 -4.709 1
1 582 . 16 1 1 A 58 58 LEU H H 58 8.100 8.341 -0.241 1
1 583 . 16 1 1 A 58 58 LEU HA H 58 3.250 4.193 -0.943 1
1 593 . 16 1 1 A 58 58 LEU C C 58 174.200 175.127 -0.927 1
1 594 . 16 1 1 A 58 58 LEU CA C 58 55.500 55.662 -0.162 1
1 595 . 16 1 1 A 58 58 LEU CB C 58 39.900 41.508 -1.608 1
1 599 . 16 1 1 A 58 58 LEU N N 58 124.400 128.010 -3.610 1
1 600 . 16 1 1 A 59 59 ARG H H 59 8.360 8.385 -0.025 1
1 601 . 16 1 1 A 59 59 ARG HA H 59 4.470 4.923 -0.453 1
1 608 . 16 1 1 A 59 59 ARG C C 59 174.000 174.594 -0.594 1
1 609 . 16 1 1 A 59 59 ARG CA C 59 54.200 54.250 -0.050 1
1 610 . 16 1 1 A 59 59 ARG CB C 59 33.000 33.840 -0.840 1
1 613 . 16 1 1 A 59 59 ARG N N 59 130.500 128.328 2.172 1
1 614 . 16 1 1 A 60 60 LEU H H 60 8.480 8.439 0.041 1
1 615 . 16 1 1 A 60 60 LEU HA H 60 5.260 4.930 0.330 1
1 625 . 16 1 1 A 60 60 LEU C C 60 176.000 175.319 0.681 1
1 626 . 16 1 1 A 60 60 LEU CA C 60 52.500 53.272 -0.772 1
1 627 . 16 1 1 A 60 60 LEU CB C 60 44.200 43.700 0.500 1
1 631 . 16 1 1 A 60 60 LEU N N 60 122.400 126.700 -4.300 1
1 632 . 16 1 1 A 61 61 LYS H H 61 8.900 9.081 -0.181 1
1 633 . 16 1 1 A 61 61 LYS HA H 61 4.160 4.875 -0.715 1
1 642 . 16 1 1 A 61 61 LYS C C 61 174.200 175.059 -0.859 1
1 643 . 16 1 1 A 61 61 LYS CA C 61 54.800 53.976 0.824 1
1 644 . 16 1 1 A 61 61 LYS CB C 61 36.600 35.635 0.965 1
1 648 . 16 1 1 A 61 61 LYS N N 61 123.800 124.316 -0.516 1
1 649 . 16 1 1 A 62 62 GLY H H 62 8.140 8.306 -0.166 1
1 650 . 16 1 1 A 62 62 GLY HA2 H 62 4.160 2.965 1.195 1
1 651 . 16 1 1 A 62 62 GLY HA3 H 62 4.160 3.838 0.322 1
1 652 . 16 1 1 A 62 62 GLY C C 62 172.000 172.259 -0.259 1
1 653 . 16 1 1 A 62 62 GLY CA C 62 43.000 43.969 -0.969 1
1 654 . 16 1 1 A 62 62 GLY N N 62 114.000 112.186 1.814 1
1 655 . 16 1 1 A 63 63 PHE H H 63 8.500 8.318 0.182 1
1 656 . 16 1 1 A 63 63 PHE HA H 63 4.800 4.975 -0.175 1
1 664 . 16 1 1 A 63 63 PHE C C 63 175.400 174.197 1.203 1
1 665 . 16 1 1 A 63 63 PHE CA C 63 55.800 56.192 -0.392 1
1 666 . 16 1 1 A 63 63 PHE CB C 63 46.200 43.767 2.433 1
1 670 . 16 1 1 A 63 63 PHE N N 63 118.600 120.564 -1.964 1
1 671 . 16 1 1 A 64 64 PHE H H 64 9.930 8.924 1.006 1
1 672 . 16 1 1 A 64 64 PHE HA H 64 5.460 5.216 0.244 1
1 679 . 16 1 1 A 64 64 PHE C C 64 175.600 175.170 0.430 1
1 680 . 16 1 1 A 64 64 PHE CA C 64 57.500 56.227 1.273 1
1 681 . 16 1 1 A 64 64 PHE CB C 64 43.100 42.222 0.878 1
1 684 . 16 1 1 A 64 64 PHE N N 64 120.100 119.034 1.066 1
1 685 . 16 1 1 A 65 65 ASP H H 65 10.950 9.132 1.818 1
1 686 . 16 1 1 A 65 65 ASP HA H 65 4.860 4.612 0.248 1
1 689 . 16 1 1 A 65 65 ASP C C 65 177.400 175.793 1.607 1
1 690 . 16 1 1 A 65 65 ASP CA C 65 56.400 54.779 1.621 1
1 691 . 16 1 1 A 65 65 ASP CB C 65 42.800 40.666 2.134 1
1 692 . 16 1 1 A 65 65 ASP N N 65 123.200 122.767 0.433 1
1 693 . 16 1 1 A 66 66 ASP H H 66 8.470 8.805 -0.335 1
1 694 . 16 1 1 A 66 66 ASP HA H 66 4.110 4.649 -0.539 1
1 697 . 16 1 1 A 66 66 ASP C C 66 175.300 177.102 -1.802 1
1 698 . 16 1 1 A 66 66 ASP CA C 66 57.800 56.159 1.641 1
1 699 . 16 1 1 A 66 66 ASP CB C 66 42.000 42.143 -0.143 1
1 700 . 16 1 1 A 66 66 ASP N N 66 122.800 124.304 -1.504 1
1 701 . 16 1 1 A 67 67 GLN H H 67 8.500 7.605 0.895 1
1 702 . 16 1 1 A 67 67 GLN HA H 67 4.250 4.465 -0.215 1
1 707 . 16 1 1 A 67 67 GLN C C 67 175.900 175.127 0.773 1
1 708 . 16 1 1 A 67 67 GLN CA C 67 55.400 55.444 -0.044 1
1 709 . 16 1 1 A 67 67 GLN CB C 67 28.300 28.206 0.094 1
1 711 . 16 1 1 A 68 68 ASN H H 68 7.880 8.555 -0.675 1
1 712 . 16 1 1 A 68 68 ASN HA H 68 4.430 4.984 -0.554 1
1 714 . 16 1 1 A 68 68 ASN CA C 68 53.300 52.669 0.631 1
1 715 . 16 1 1 A 68 68 ASN CB C 68 39.300 41.956 -2.656 1
1 716 . 16 1 1 A 68 68 ASN N N 68 121.500 123.114 -1.614 1
1 722 . 16 1 1 A 73 73 PHE HA H 73 4.190 4.726 -0.536 1
1 730 . 16 1 1 A 73 73 PHE CA C 73 61.300 58.349 2.951 1
1 731 . 16 1 1 A 73 73 PHE CB C 73 38.600 42.112 -3.512 1
1 735 . 16 1 1 A 74 74 GLU HA H 74 4.290 3.933 0.357 1
1 738 . 16 1 1 A 74 74 GLU CA C 74 56.800 56.399 0.401 1
1 739 . 16 1 1 A 74 74 GLU CB C 74 29.900 30.081 -0.181 1
1 741 . 16 1 1 A 75 75 THR HA H 75 4.180 4.356 -0.176 1
1 746 . 16 1 1 A 75 75 THR C C 75 174.100 173.735 0.365 1
1 747 . 16 1 1 A 75 75 THR CA C 75 60.700 63.471 -2.771 1
1 748 . 16 1 1 A 75 75 THR CB C 75 69.800 66.843 2.957 1
1 750 . 16 1 1 A 76 76 LYS HA H 76 3.880 4.666 -0.786 1
1 759 . 16 1 1 A 76 76 LYS CA C 76 55.900 55.450 0.450 1
1 760 . 16 1 1 A 76 76 LYS CB C 76 32.100 33.834 -1.734 1
1 764 . 16 1 1 A 77 77 ILE H H 77 9.060 8.819 0.241 1
1 765 . 16 1 1 A 77 77 ILE HA H 77 3.850 4.480 -0.630 1
1 775 . 16 1 1 A 77 77 ILE C C 77 175.900 175.757 0.143 1
1 776 . 16 1 1 A 77 77 ILE CA C 77 59.600 59.989 -0.389 1
1 777 . 16 1 1 A 77 77 ILE CB C 77 38.400 39.123 -0.723 1
1 781 . 16 1 1 A 77 77 ILE N N 77 126.900 128.382 -1.482 1
1 782 . 16 1 1 A 78 78 SER H H 78 8.730 9.086 -0.356 1
1 783 . 16 1 1 A 78 78 SER HA H 78 4.140 4.136 0.004 1
1 786 . 16 1 1 A 78 78 SER C C 78 176.200 176.515 -0.315 1
1 787 . 16 1 1 A 78 78 SER CA C 78 60.800 61.864 -1.064 1
1 788 . 16 1 1 A 78 78 SER CB C 78 61.200 63.076 -1.876 1
1 789 . 16 1 1 A 78 78 SER N N 78 119.000 121.997 -2.997 1
1 790 . 16 1 1 A 79 79 THR H H 79 8.050 8.006 0.044 1
1 791 . 16 1 1 A 79 79 THR HA H 79 4.580 4.231 0.349 1
1 796 . 16 1 1 A 79 79 THR C C 79 174.400 176.035 -1.635 1
1 797 . 16 1 1 A 79 79 THR CA C 79 62.200 64.776 -2.576 1
1 798 . 16 1 1 A 79 79 THR CB C 79 69.300 68.776 0.524 1
1 800 . 16 1 1 A 79 79 THR N N 79 114.300 115.807 -1.507 1
1 801 . 16 1 1 A 80 80 LEU H H 80 7.470 7.932 -0.462 1
1 802 . 16 1 1 A 80 80 LEU HA H 80 3.580 3.413 0.167 1
1 812 . 16 1 1 A 80 80 LEU C C 80 176.500 177.857 -1.357 1
1 813 . 16 1 1 A 80 80 LEU CA C 80 58.400 57.920 0.480 1
1 814 . 16 1 1 A 80 80 LEU CB C 80 41.800 41.458 0.342 1
1 818 . 16 1 1 A 80 80 LEU N N 80 123.200 121.645 1.555 1
1 819 . 16 1 1 A 81 81 ASP H H 81 8.450 7.582 0.868 1
1 820 . 16 1 1 A 81 81 ASP HA H 81 4.060 4.195 -0.135 1
1 823 . 16 1 1 A 81 81 ASP C C 81 178.700 178.491 0.209 1
1 824 . 16 1 1 A 81 81 ASP CA C 81 57.600 57.895 -0.295 1
1 825 . 16 1 1 A 81 81 ASP CB C 81 39.500 42.216 -2.716 1
1 826 . 16 1 1 A 81 81 ASP N N 81 116.000 119.045 -3.045 1
1 827 . 16 1 1 A 82 82 GLU H H 82 7.800 8.002 -0.202 1
1 828 . 16 1 1 A 82 82 GLU HA H 82 4.030 4.097 -0.067 1
1 833 . 16 1 1 A 82 82 GLU C C 82 178.500 178.718 -0.218 1
1 834 . 16 1 1 A 82 82 GLU CA C 82 59.100 59.516 -0.416 1
1 835 . 16 1 1 A 82 82 GLU CB C 82 29.300 29.561 -0.261 1
1 837 . 16 1 1 A 82 82 GLU N N 82 120.400 119.005 1.395 1
1 838 . 16 1 1 A 83 83 TYR H H 83 8.190 7.802 0.388 1
1 839 . 16 1 1 A 83 83 TYR HA H 83 4.410 4.320 0.090 1
1 846 . 16 1 1 A 83 83 TYR C C 83 176.700 177.258 -0.558 1
1 847 . 16 1 1 A 83 83 TYR CA C 83 60.900 61.286 -0.386 1
1 848 . 16 1 1 A 83 83 TYR CB C 83 37.600 38.636 -1.036 1
1 851 . 16 1 1 A 83 83 TYR N N 83 122.900 121.761 1.139 1
1 852 . 16 1 1 A 84 84 ILE H H 84 8.400 8.566 -0.166 1
1 853 . 16 1 1 A 84 84 ILE HA H 84 3.240 3.546 -0.306 1
1 863 . 16 1 1 A 84 84 ILE C C 84 178.000 177.402 0.598 1
1 864 . 16 1 1 A 84 84 ILE CA C 84 60.800 65.456 -4.656 1
1 865 . 16 1 1 A 84 84 ILE CB C 84 35.500 37.656 -2.156 1
1 869 . 16 1 1 A 84 84 ILE N N 84 119.100 120.770 -1.670 1
1 870 . 16 1 1 A 85 85 TYR H H 85 7.820 8.589 -0.769 1
1 871 . 16 1 1 A 85 85 TYR HA H 85 3.910 4.267 -0.357 1
1 878 . 16 1 1 A 85 85 TYR C C 85 176.800 177.973 -1.173 1
1 879 . 16 1 1 A 85 85 TYR CA C 85 60.700 61.577 -0.877 1
1 880 . 16 1 1 A 85 85 TYR CB C 85 37.900 38.922 -1.022 1
1 883 . 16 1 1 A 85 85 TYR N N 85 119.100 121.003 -1.903 1
1 884 . 16 1 1 A 86 86 GLU H H 86 7.660 8.602 -0.942 1
1 885 . 16 1 1 A 86 86 GLU HA H 86 3.690 3.806 -0.116 1
1 890 . 16 1 1 A 86 86 GLU C C 86 177.900 177.326 0.574 1
1 891 . 16 1 1 A 86 86 GLU CA C 86 58.200 59.073 -0.873 1
1 892 . 16 1 1 A 86 86 GLU CB C 86 29.500 29.115 0.385 1
1 894 . 16 1 1 A 86 86 GLU N N 86 116.700 117.618 -0.918 1
1 895 . 16 1 1 A 87 87 TYR H H 87 8.010 7.363 0.647 1
1 896 . 16 1 1 A 87 87 TYR HA H 87 4.090 4.479 -0.389 1
1 903 . 16 1 1 A 87 87 TYR C C 87 176.000 176.206 -0.206 1
1 904 . 16 1 1 A 87 87 TYR CA C 87 60.100 58.379 1.721 1
1 905 . 16 1 1 A 87 87 TYR CB C 87 37.300 39.652 -2.352 1
1 908 . 16 1 1 A 87 87 TYR N N 87 114.900 114.447 0.453 1
1 909 . 16 1 1 A 88 88 CYS H H 88 8.300 7.869 0.431 1
1 910 . 16 1 1 A 88 88 CYS HA H 88 4.760 4.798 -0.038 1
1 913 . 16 1 1 A 88 88 CYS CA C 88 53.500 55.346 -1.846 1
1 914 . 16 1 1 A 88 88 CYS CB C 88 42.000 44.699 -2.699 1
1 915 . 16 1 1 A 88 88 CYS N N 88 119.700 116.678 3.022 1
1 916 . 16 1 1 A 89 89 ASN C C 89 176.500 174.647 1.853 1
1 917 . 16 1 1 A 90 90 PHE HA H 90 4.590 5.010 -0.420 1
1 925 . 16 1 1 A 90 90 PHE CA C 90 57.400 56.133 1.267 1
1 926 . 16 1 1 A 90 90 PHE CB C 90 38.200 40.183 -1.983 1
1 930 . 16 1 1 A 92 92 CYS HA H 92 4.660 5.336 -0.676 1
1 933 . 16 1 1 A 92 92 CYS C C 92 172.000 172.393 -0.393 1
1 934 . 16 1 1 A 92 92 CYS CA C 92 55.000 55.533 -0.533 1
1 935 . 16 1 1 A 92 92 CYS CB C 92 47.400 46.350 1.050 1
1 936 . 16 1 1 A 93 93 ALA H H 93 8.670 8.949 -0.279 1
1 937 . 16 1 1 A 93 93 ALA HA H 93 4.520 5.128 -0.608 1
1 941 . 16 1 1 A 93 93 ALA C C 93 177.400 175.402 1.998 1
1 942 . 16 1 1 A 93 93 ALA CA C 93 52.400 52.105 0.295 1
1 943 . 16 1 1 A 93 93 ALA CB C 93 19.800 20.731 -0.931 1
1 944 . 16 1 1 A 93 93 ALA N N 93 126.000 122.604 3.396 1
1 945 . 16 1 1 A 94 94 TYR H H 94 8.460 8.898 -0.438 1
1 946 . 16 1 1 A 94 94 TYR HA H 94 5.570 6.201 -0.631 1
1 953 . 16 1 1 A 94 94 TYR C C 94 171.500 173.049 -1.549 1
1 954 . 16 1 1 A 94 94 TYR CA C 94 57.200 55.573 1.627 1
1 955 . 16 1 1 A 94 94 TYR CB C 94 39.800 41.682 -1.882 1
1 958 . 16 1 1 A 94 94 TYR N N 94 116.200 120.138 -3.938 1
1 959 . 16 1 1 A 95 95 PHE H H 95 9.220 8.834 0.386 1
1 960 . 16 1 1 A 95 95 PHE HA H 95 5.280 5.668 -0.388 1
1 967 . 16 1 1 A 95 95 PHE C C 95 172.900 173.192 -0.292 1
1 968 . 16 1 1 A 95 95 PHE CA C 95 55.200 55.348 -0.148 1
1 969 . 16 1 1 A 95 95 PHE CB C 95 42.400 43.122 -0.722 1
1 972 . 16 1 1 A 95 95 PHE N N 95 114.100 117.104 -3.004 1
1 973 . 16 1 1 A 96 96 VAL H H 96 9.130 9.398 -0.268 1
1 974 . 16 1 1 A 96 96 VAL HA H 96 4.860 5.166 -0.306 1
1 982 . 16 1 1 A 96 96 VAL C C 96 174.800 174.922 -0.122 1
1 983 . 16 1 1 A 96 96 VAL CA C 96 61.400 61.476 -0.076 1
1 984 . 16 1 1 A 96 96 VAL CB C 96 35.100 33.987 1.113 1
1 987 . 16 1 1 A 96 96 VAL N N 96 118.400 121.347 -2.947 1
1 988 . 16 1 1 A 97 97 LEU H H 97 9.610 9.560 0.050 1
1 989 . 16 1 1 A 97 97 LEU HA H 97 5.380 5.471 -0.091 1
1 999 . 16 1 1 A 97 97 LEU C C 97 175.700 175.407 0.293 1
1 1000 . 16 1 1 A 97 97 LEU CA C 97 52.100 53.278 -1.178 1
1 1001 . 16 1 1 A 97 97 LEU CB C 97 44.500 45.140 -0.640 1
1 1005 . 16 1 1 A 97 97 LEU N N 97 126.100 127.800 -1.700 1
1 1006 . 16 1 1 A 98 98 LYS H H 98 9.660 8.677 0.983 1
1 1007 . 16 1 1 A 98 98 LYS HA H 98 4.740 5.010 -0.270 1
1 1016 . 16 1 1 A 98 98 LYS C C 98 175.500 175.449 0.051 1
1 1017 . 16 1 1 A 98 98 LYS CA C 98 54.400 54.136 0.264 1
1 1018 . 16 1 1 A 98 98 LYS CB C 98 37.500 35.934 1.566 1
1 1022 . 16 1 1 A 98 98 LYS N N 98 123.900 123.451 0.449 1
1 1023 . 16 1 1 A 99 99 ARG H H 99 8.400 8.478 -0.078 1
1 1024 . 16 1 1 A 99 99 ARG HA H 99 4.040 4.239 -0.199 1
1 1031 . 16 1 1 A 99 99 ARG C C 99 174.800 176.045 -1.245 1
1 1032 . 16 1 1 A 99 99 ARG CA C 99 55.500 56.307 -0.807 1
1 1033 . 16 1 1 A 99 99 ARG CB C 99 30.000 30.686 -0.686 1
1 1036 . 16 1 1 A 99 99 ARG N N 99 128.700 127.388 1.312 1
1 1037 . 16 1 1 A 100 100 ILE H H 100 8.660 8.474 0.186 1
1 1038 . 16 1 1 A 100 100 ILE HA H 100 4.150 4.252 -0.102 1
1 1048 . 16 1 1 A 100 100 ILE CA C 100 59.100 60.752 -1.652 1
1 1049 . 16 1 1 A 100 100 ILE CB C 100 36.300 38.353 -2.053 1
1 1053 . 16 1 1 A 100 100 ILE N N 100 130.500 127.634 2.866 1
1 1054 . 16 1 1 A 101 101 ARG C C 101 177.000 176.312 0.688 1
1 1055 . 16 1 1 A 102 102 LYS C C 102 178.900 175.005 3.895 1
1 1056 . 16 1 1 A 103 103 LEU HA H 103 4.230 4.326 -0.096 1
1 1066 . 16 1 1 A 103 103 LEU CA C 103 54.900 55.388 -0.488 1
1 1067 . 16 1 1 A 103 103 LEU CB C 103 42.100 41.407 0.693 1
1 1071 . 16 1 1 A 104 104 GLU HA H 104 4.010 4.616 -0.606 1
1 1075 . 16 1 1 A 104 104 GLU CA C 104 58.300 56.485 1.815 1
1 1076 . 16 1 1 A 104 104 GLU CB C 104 28.300 30.423 -2.123 1
1 1 . 17 1 1 A 10 10 GLU HA H 10 4.230 4.521 -0.291 1
1 6 . 17 1 1 A 10 10 GLU C C 10 176.100 175.012 1.088 1
1 7 . 17 1 1 A 10 10 GLU CA C 10 56.800 57.772 -0.972 1
1 8 . 17 1 1 A 10 10 GLU CB C 10 30.400 32.294 -1.894 1
1 10 . 17 1 1 A 11 11 ILE H H 11 8.270 7.818 0.452 1
1 11 . 17 1 1 A 11 11 ILE HA H 11 4.100 4.262 -0.162 1
1 21 . 17 1 1 A 11 11 ILE C C 11 173.900 174.802 -0.902 1
1 22 . 17 1 1 A 11 11 ILE CA C 11 60.900 60.764 0.136 1
1 23 . 17 1 1 A 11 11 ILE CB C 11 38.300 39.293 -0.993 1
1 27 . 17 1 1 A 11 11 ILE N N 11 121.800 119.261 2.539 1
1 28 . 17 1 1 A 12 12 MET H H 12 8.150 8.740 -0.590 1
1 29 . 17 1 1 A 12 12 MET HA H 12 5.250 5.384 -0.134 1
1 37 . 17 1 1 A 12 12 MET C C 12 175.500 175.353 0.147 1
1 38 . 17 1 1 A 12 12 MET CA C 12 53.100 53.746 -0.646 1
1 39 . 17 1 1 A 12 12 MET CB C 12 33.600 34.029 -0.429 1
1 42 . 17 1 1 A 12 12 MET N N 12 125.200 125.762 -0.562 1
1 43 . 17 1 1 A 13 13 ILE H H 13 9.200 9.492 -0.292 1
1 44 . 17 1 1 A 13 13 ILE HA H 13 4.400 4.657 -0.257 1
1 54 . 17 1 1 A 13 13 ILE C C 13 173.500 174.811 -1.311 1
1 55 . 17 1 1 A 13 13 ILE CA C 13 59.600 60.764 -1.164 1
1 56 . 17 1 1 A 13 13 ILE CB C 13 40.500 38.600 1.900 1
1 60 . 17 1 1 A 13 13 ILE N N 13 123.700 124.447 -0.747 1
1 61 . 17 1 1 A 14 14 LEU H H 14 8.550 9.140 -0.590 1
1 62 . 17 1 1 A 14 14 LEU HA H 14 5.200 5.459 -0.259 1
1 72 . 17 1 1 A 14 14 LEU C C 14 176.100 176.002 0.098 1
1 73 . 17 1 1 A 14 14 LEU CA C 14 53.700 53.728 -0.028 1
1 74 . 17 1 1 A 14 14 LEU CB C 14 43.700 41.638 2.062 1
1 78 . 17 1 1 A 14 14 LEU N N 14 128.800 128.735 0.065 1
1 79 . 17 1 1 A 15 15 ILE H H 15 8.780 9.073 -0.293 1
1 80 . 17 1 1 A 15 15 ILE HA H 15 4.350 4.447 -0.097 1
1 90 . 17 1 1 A 15 15 ILE CA C 15 58.700 60.167 -1.467 1
1 91 . 17 1 1 A 15 15 ILE CB C 15 39.800 41.031 -1.231 1
1 95 . 17 1 1 A 15 15 ILE N N 15 123.000 123.811 -0.811 1
1 96 . 17 1 1 A 16 16 GLN HA H 16 3.710 4.083 -0.373 1
1 100 . 17 1 1 A 16 16 GLN CA C 16 57.700 57.444 0.256 1
1 101 . 17 1 1 A 16 16 GLN CB C 16 26.500 27.114 -0.614 1
1 103 . 17 1 1 A 17 17 ASN HA H 17 4.460 4.245 0.215 1
1 108 . 17 1 1 A 17 17 ASN C C 17 173.300 173.909 -0.609 1
1 109 . 17 1 1 A 17 17 ASN CA C 17 53.900 54.920 -1.020 1
1 110 . 17 1 1 A 17 17 ASN CB C 17 38.100 36.846 1.254 1
1 112 . 17 1 1 A 18 18 ALA H H 18 8.450 7.556 0.894 1
1 113 . 17 1 1 A 18 18 ALA HA H 18 4.250 4.720 -0.470 1
1 117 . 17 1 1 A 18 18 ALA C C 18 174.000 175.157 -1.157 1
1 118 . 17 1 1 A 18 18 ALA CA C 18 51.600 50.086 1.514 1
1 119 . 17 1 1 A 18 18 ALA CB C 18 20.500 22.344 -1.844 1
1 120 . 17 1 1 A 18 18 ALA N N 18 125.200 120.619 4.581 1
1 121 . 17 1 1 A 19 19 GLU H H 19 7.930 8.725 -0.795 1
1 122 . 17 1 1 A 19 19 GLU HA H 19 5.000 4.967 0.033 1
1 127 . 17 1 1 A 19 19 GLU C C 19 174.500 175.136 -0.636 1
1 128 . 17 1 1 A 19 19 GLU CA C 19 54.400 54.684 -0.284 1
1 129 . 17 1 1 A 19 19 GLU CB C 19 32.500 32.142 0.358 1
1 131 . 17 1 1 A 19 19 GLU N N 19 121.700 122.049 -0.349 1
1 132 . 17 1 1 A 20 20 PHE H H 20 9.110 9.437 -0.327 1
1 133 . 17 1 1 A 20 20 PHE HA H 20 5.340 5.547 -0.207 1
1 141 . 17 1 1 A 20 20 PHE C C 20 173.900 174.449 -0.549 1
1 142 . 17 1 1 A 20 20 PHE CA C 20 55.800 56.705 -0.905 1
1 143 . 17 1 1 A 20 20 PHE CB C 20 44.800 43.290 1.510 1
1 147 . 17 1 1 A 20 20 PHE N N 20 120.100 126.021 -5.921 1
1 148 . 17 1 1 A 21 21 GLU H H 21 9.200 9.333 -0.133 1
1 149 . 17 1 1 A 21 21 GLU HA H 21 5.040 5.183 -0.143 1
1 154 . 17 1 1 A 21 21 GLU C C 21 176.200 174.582 1.618 1
1 155 . 17 1 1 A 21 21 GLU CA C 21 53.700 54.666 -0.966 1
1 156 . 17 1 1 A 21 21 GLU CB C 21 33.600 33.639 -0.039 1
1 158 . 17 1 1 A 21 21 GLU N N 21 120.800 118.652 2.148 1
1 159 . 17 1 1 A 22 22 LEU H H 22 8.590 8.678 -0.088 1
1 160 . 17 1 1 A 22 22 LEU HA H 22 4.420 4.419 0.001 1
1 170 . 17 1 1 A 22 22 LEU C C 22 175.200 176.984 -1.784 1
1 171 . 17 1 1 A 22 22 LEU CA C 22 54.900 54.585 0.315 1
1 172 . 17 1 1 A 22 22 LEU CB C 22 41.000 41.687 -0.687 1
1 176 . 17 1 1 A 22 22 LEU N N 22 127.900 125.090 2.810 1
1 177 . 17 1 1 A 23 23 VAL H H 23 8.350 8.664 -0.314 1
1 178 . 17 1 1 A 23 23 VAL HA H 23 4.460 4.337 0.123 1
1 186 . 17 1 1 A 23 23 VAL C C 23 175.500 175.746 -0.246 1
1 187 . 17 1 1 A 23 23 VAL CA C 23 62.100 62.621 -0.521 1
1 188 . 17 1 1 A 23 23 VAL CB C 23 32.600 32.670 -0.070 1
1 191 . 17 1 1 A 23 23 VAL N N 23 122.700 121.903 0.797 1
1 192 . 17 1 1 A 24 24 HIS H H 24 7.590 7.279 0.311 1
1 193 . 17 1 1 A 24 24 HIS HA H 24 4.750 4.835 -0.085 1
1 197 . 17 1 1 A 24 24 HIS CA C 24 56.800 56.203 0.597 1
1 198 . 17 1 1 A 24 24 HIS CB C 24 34.800 32.996 1.804 1
1 200 . 17 1 1 A 24 24 HIS N N 24 118.300 120.702 -2.402 1
1 201 . 17 1 1 A 25 25 ASN HA H 25 5.070 5.665 -0.595 1
1 206 . 17 1 1 A 25 25 ASN C C 25 172.500 173.714 -1.214 1
1 207 . 17 1 1 A 25 25 ASN CA C 25 52.000 52.326 -0.326 1
1 208 . 17 1 1 A 25 25 ASN CB C 25 40.400 42.908 -2.508 1
1 210 . 17 1 1 A 26 26 PHE H H 26 9.000 8.819 0.181 1
1 211 . 17 1 1 A 26 26 PHE HA H 26 4.540 4.801 -0.261 1
1 219 . 17 1 1 A 26 26 PHE C C 26 174.500 174.791 -0.291 1
1 220 . 17 1 1 A 26 26 PHE CA C 26 57.100 57.646 -0.546 1
1 221 . 17 1 1 A 26 26 PHE CB C 26 40.900 42.314 -1.414 1
1 225 . 17 1 1 A 26 26 PHE N N 26 128.200 125.025 3.175 1
1 226 . 17 1 1 A 27 27 LYS H H 27 8.700 9.159 -0.459 1
1 227 . 17 1 1 A 27 27 LYS HA H 27 3.290 3.822 -0.532 1
1 236 . 17 1 1 A 27 27 LYS C C 27 174.500 175.605 -1.105 1
1 237 . 17 1 1 A 27 27 LYS CA C 27 56.800 57.446 -0.646 1
1 238 . 17 1 1 A 27 27 LYS CB C 27 29.500 30.181 -0.681 1
1 242 . 17 1 1 A 27 27 LYS N N 27 126.000 127.685 -1.685 1
1 243 . 17 1 1 A 28 28 ASP H H 28 8.560 8.459 0.101 1
1 244 . 17 1 1 A 28 28 ASP HA H 28 4.080 4.332 -0.252 1
1 247 . 17 1 1 A 28 28 ASP C C 28 174.700 177.084 -2.384 1
1 248 . 17 1 1 A 28 28 ASP CA C 28 54.800 55.667 -0.867 1
1 249 . 17 1 1 A 28 28 ASP CB C 28 39.100 38.922 0.178 1
1 250 . 17 1 1 A 28 28 ASP N N 28 112.300 111.188 1.112 1
1 251 . 17 1 1 A 29 29 GLY H H 29 7.160 7.933 -0.773 1
1 252 . 17 1 1 A 29 29 GLY HA2 H 29 3.490 3.869 -0.379 1
1 253 . 17 1 1 A 29 29 GLY HA3 H 29 3.780 4.144 -0.364 1
1 254 . 17 1 1 A 29 29 GLY C C 29 174.800 175.064 -0.264 1
1 255 . 17 1 1 A 29 29 GLY CA C 29 47.600 47.418 0.182 1
1 256 . 17 1 1 A 29 29 GLY N N 29 101.900 106.564 -4.664 1
1 257 . 17 1 1 A 30 30 PHE H H 30 9.400 7.888 1.512 1
1 258 . 17 1 1 A 30 30 PHE HA H 30 3.380 3.548 -0.168 1
1 266 . 17 1 1 A 30 30 PHE CA C 30 60.700 57.673 3.027 1
1 267 . 17 1 1 A 30 30 PHE CB C 30 37.700 38.616 -0.916 1
1 271 . 17 1 1 A 30 30 PHE N N 30 120.800 121.687 -0.887 1
1 272 . 17 1 1 A 31 31 ASN H H 31 5.090 8.292 -3.202 1
1 273 . 17 1 1 A 31 31 ASN HA H 31 4.220 4.726 -0.506 1
1 276 . 17 1 1 A 31 31 ASN CA C 31 52.400 51.342 1.058 1
1 277 . 17 1 1 A 31 31 ASN CB C 31 41.100 39.561 1.539 1
1 278 . 17 1 1 A 31 31 ASN N N 31 125.400 125.809 -0.409 1
1 279 . 17 1 1 A 32 32 GLU HA H 32 3.290 3.486 -0.196 1
1 284 . 17 1 1 A 32 32 GLU C C 32 176.900 178.011 -1.111 1
1 285 . 17 1 1 A 32 32 GLU CA C 32 60.600 59.946 0.654 1
1 286 . 17 1 1 A 32 32 GLU CB C 32 29.500 29.390 0.110 1
1 288 . 17 1 1 A 33 33 GLU H H 33 8.320 8.303 0.017 1
1 289 . 17 1 1 A 33 33 GLU HA H 33 3.880 4.081 -0.201 1
1 294 . 17 1 1 A 33 33 GLU C C 33 179.300 178.750 0.550 1
1 295 . 17 1 1 A 33 33 GLU CA C 33 59.600 59.184 0.416 1
1 296 . 17 1 1 A 33 33 GLU CB C 33 28.700 29.445 -0.745 1
1 298 . 17 1 1 A 33 33 GLU N N 33 119.000 117.485 1.515 1
1 299 . 17 1 1 A 34 34 ALA H H 34 8.330 7.526 0.804 1
1 300 . 17 1 1 A 34 34 ALA HA H 34 4.130 4.175 -0.045 1
1 304 . 17 1 1 A 34 34 ALA C C 34 179.600 179.611 -0.011 1
1 305 . 17 1 1 A 34 34 ALA CA C 34 54.400 54.922 -0.522 1
1 306 . 17 1 1 A 34 34 ALA CB C 34 18.400 18.603 -0.203 1
1 307 . 17 1 1 A 34 34 ALA N N 34 122.200 122.250 -0.050 1
1 308 . 17 1 1 A 35 35 PHE H H 35 8.040 8.348 -0.308 1
1 309 . 17 1 1 A 35 35 PHE HA H 35 4.020 4.214 -0.194 1
1 317 . 17 1 1 A 35 35 PHE C C 35 176.100 177.184 -1.084 1
1 318 . 17 1 1 A 35 35 PHE CA C 35 61.000 61.372 -0.372 1
1 319 . 17 1 1 A 35 35 PHE CB C 35 39.000 39.385 -0.385 1
1 323 . 17 1 1 A 35 35 PHE N N 35 117.100 120.732 -3.632 1
1 324 . 17 1 1 A 36 36 LYS H H 36 8.490 8.599 -0.109 1
1 325 . 17 1 1 A 36 36 LYS HA H 36 3.320 3.921 -0.601 1
1 334 . 17 1 1 A 36 36 LYS C C 36 178.000 178.568 -0.568 1
1 335 . 17 1 1 A 36 36 LYS CA C 36 59.800 58.982 0.818 1
1 336 . 17 1 1 A 36 36 LYS CB C 36 32.100 31.920 0.180 1
1 340 . 17 1 1 A 36 36 LYS N N 36 118.100 118.517 -0.417 1
1 341 . 17 1 1 A 37 37 ALA H H 37 7.450 7.453 -0.003 1
1 342 . 17 1 1 A 37 37 ALA HA H 37 4.130 4.068 0.062 1
1 346 . 17 1 1 A 37 37 ALA C C 37 178.500 178.437 0.063 1
1 347 . 17 1 1 A 37 37 ALA CA C 37 53.600 54.198 -0.598 1
1 348 . 17 1 1 A 37 37 ALA CB C 37 18.500 18.358 0.142 1
1 349 . 17 1 1 A 37 37 ALA N N 37 117.700 121.696 -3.996 1
1 350 . 17 1 1 A 38 38 ARG H H 38 7.160 7.358 -0.198 1
1 351 . 17 1 1 A 38 38 ARG HA H 38 4.340 4.464 -0.124 1
1 358 . 17 1 1 A 38 38 ARG C C 38 175.400 175.576 -0.176 1
1 359 . 17 1 1 A 38 38 ARG CA C 38 54.200 55.304 -1.104 1
1 360 . 17 1 1 A 38 38 ARG CB C 38 31.400 31.090 0.310 1
1 363 . 17 1 1 A 38 38 ARG N N 38 114.800 114.964 -0.164 1
1 364 . 17 1 1 A 39 39 TYR H H 39 7.510 7.454 0.056 1
1 365 . 17 1 1 A 39 39 TYR HA H 39 3.350 4.260 -0.910 1
1 372 . 17 1 1 A 39 39 TYR C C 39 173.700 174.944 -1.244 1
1 373 . 17 1 1 A 39 39 TYR CA C 39 60.800 59.335 1.465 1
1 374 . 17 1 1 A 39 39 TYR CB C 39 38.000 38.889 -0.889 1
1 377 . 17 1 1 A 39 39 TYR N N 39 122.600 122.885 -0.285 1
1 378 . 17 1 1 A 40 40 SER H H 40 5.730 8.000 -2.270 1
1 379 . 17 1 1 A 40 40 SER HA H 40 4.470 4.912 -0.442 1
1 382 . 17 1 1 A 40 40 SER CA C 40 56.100 55.743 0.357 1
1 383 . 17 1 1 A 40 40 SER CB C 40 65.100 65.457 -0.357 1
1 384 . 17 1 1 A 40 40 SER N N 40 119.100 122.294 -3.194 1
1 385 . 17 1 1 A 41 41 ASP HA H 41 4.210 4.246 -0.036 1
1 388 . 17 1 1 A 41 41 ASP CA C 41 56.700 57.053 -0.353 1
1 389 . 17 1 1 A 41 41 ASP CB C 41 40.500 40.420 0.080 1
1 390 . 17 1 1 A 42 42 ILE HA H 42 4.030 3.840 0.190 1
1 400 . 17 1 1 A 42 42 ILE C C 42 176.600 177.669 -1.069 1
1 401 . 17 1 1 A 42 42 ILE CA C 42 63.200 63.125 0.075 1
1 402 . 17 1 1 A 42 42 ILE CB C 42 37.600 37.489 0.111 1
1 406 . 17 1 1 A 43 43 LEU H H 43 7.700 7.605 0.095 1
1 407 . 17 1 1 A 43 43 LEU HA H 43 4.560 4.357 0.203 1
1 417 . 17 1 1 A 43 43 LEU C C 43 178.000 178.960 -0.960 1
1 418 . 17 1 1 A 43 43 LEU CA C 43 54.700 56.106 -1.406 1
1 419 . 17 1 1 A 43 43 LEU CB C 43 40.800 42.150 -1.350 1
1 423 . 17 1 1 A 43 43 LEU N N 43 117.500 120.276 -2.776 1
1 424 . 17 1 1 A 44 44 ASN H H 44 7.870 7.987 -0.117 1
1 425 . 17 1 1 A 44 44 ASN HA H 44 4.480 4.804 -0.324 1
1 428 . 17 1 1 A 44 44 ASN CA C 44 55.300 56.139 -0.839 1
1 429 . 17 1 1 A 44 44 ASN CB C 44 38.200 39.244 -1.044 1
1 430 . 17 1 1 A 44 44 ASN N N 44 118.400 118.033 0.367 1
1 431 . 17 1 1 A 45 45 LYS HA H 45 4.200 4.054 0.146 1
1 440 . 17 1 1 A 45 45 LYS C C 45 176.200 178.322 -2.122 1
1 441 . 17 1 1 A 45 45 LYS CA C 45 56.500 58.839 -2.339 1
1 442 . 17 1 1 A 45 45 LYS CB C 45 32.000 32.041 -0.041 1
1 446 . 17 1 1 A 46 46 TYR H H 46 6.770 7.631 -0.861 1
1 447 . 17 1 1 A 46 46 TYR HA H 46 3.900 4.124 -0.224 1
1 454 . 17 1 1 A 46 46 TYR C C 46 175.500 175.510 -0.010 1
1 455 . 17 1 1 A 46 46 TYR CA C 46 59.200 59.275 -0.075 1
1 456 . 17 1 1 A 46 46 TYR CB C 46 38.700 38.867 -0.167 1
1 459 . 17 1 1 A 46 46 TYR N N 46 117.400 116.256 1.144 1
1 460 . 17 1 1 A 47 47 ASP H H 47 7.540 8.146 -0.606 1
1 461 . 17 1 1 A 47 47 ASP HA H 47 4.880 4.455 0.425 1
1 464 . 17 1 1 A 47 47 ASP C C 47 175.100 174.203 0.897 1
1 465 . 17 1 1 A 47 47 ASP CA C 47 56.100 55.854 0.246 1
1 466 . 17 1 1 A 47 47 ASP CB C 47 43.100 39.339 3.761 1
1 467 . 17 1 1 A 47 47 ASP N N 47 118.300 117.155 1.145 1
1 468 . 17 1 1 A 48 48 TYR H H 48 8.640 8.198 0.442 1
1 469 . 17 1 1 A 48 48 TYR HA H 48 5.670 5.662 0.008 1
1 476 . 17 1 1 A 48 48 TYR C C 48 174.700 174.949 -0.249 1
1 477 . 17 1 1 A 48 48 TYR CA C 48 55.900 57.132 -1.232 1
1 478 . 17 1 1 A 48 48 TYR CB C 48 43.500 42.077 1.423 1
1 481 . 17 1 1 A 48 48 TYR N N 48 116.700 118.706 -2.006 1
1 482 . 17 1 1 A 49 49 ILE H H 49 9.130 9.169 -0.039 1
1 483 . 17 1 1 A 49 49 ILE HA H 49 4.660 4.821 -0.161 1
1 493 . 17 1 1 A 49 49 ILE C C 49 173.900 174.739 -0.839 1
1 494 . 17 1 1 A 49 49 ILE CA C 49 59.400 60.247 -0.847 1
1 495 . 17 1 1 A 49 49 ILE CB C 49 40.700 40.607 0.093 1
1 499 . 17 1 1 A 49 49 ILE N N 49 119.500 123.793 -4.293 1
1 500 . 17 1 1 A 50 50 VAL H H 50 9.220 8.988 0.232 1
1 501 . 17 1 1 A 50 50 VAL HA H 50 4.860 4.830 0.030 1
1 509 . 17 1 1 A 50 50 VAL C C 50 175.200 174.738 0.462 1
1 510 . 17 1 1 A 50 50 VAL CA C 50 60.100 60.410 -0.310 1
1 511 . 17 1 1 A 50 50 VAL CB C 50 33.400 34.781 -1.381 1
1 514 . 17 1 1 A 50 50 VAL N N 50 128.600 129.099 -0.499 1
1 515 . 17 1 1 A 51 51 GLY H H 51 7.860 8.227 -0.367 1
1 516 . 17 1 1 A 51 51 GLY HA2 H 51 5.420 3.542 1.878 1
1 517 . 17 1 1 A 51 51 GLY HA3 H 51 2.080 3.987 -1.907 1
1 518 . 17 1 1 A 51 51 GLY C C 51 170.700 171.963 -1.263 1
1 519 . 17 1 1 A 51 51 GLY CA C 51 43.600 44.115 -0.515 1
1 520 . 17 1 1 A 51 51 GLY N N 51 116.100 114.197 1.903 1
1 521 . 17 1 1 A 52 52 ASP H H 52 8.940 8.573 0.367 1
1 522 . 17 1 1 A 52 52 ASP HA H 52 5.540 5.454 0.086 1
1 525 . 17 1 1 A 52 52 ASP C C 52 174.200 176.004 -1.804 1
1 526 . 17 1 1 A 52 52 ASP CA C 52 53.000 52.051 0.949 1
1 527 . 17 1 1 A 52 52 ASP CB C 52 47.100 43.670 3.430 1
1 528 . 17 1 1 A 52 52 ASP N N 52 121.200 121.160 0.040 1
1 529 . 17 1 1 A 53 53 TRP H H 53 7.980 8.496 -0.516 1
1 530 . 17 1 1 A 53 53 TRP HA H 53 4.950 4.913 0.037 1
1 539 . 17 1 1 A 53 53 TRP C C 53 178.500 177.399 1.101 1
1 540 . 17 1 1 A 53 53 TRP CA C 53 56.200 56.864 -0.664 1
1 541 . 17 1 1 A 53 53 TRP CB C 53 28.500 29.192 -0.692 1
1 547 . 17 1 1 A 53 53 TRP N N 53 119.900 120.721 -0.821 1
1 549 . 17 1 1 A 54 54 GLY H H 54 10.320 8.247 2.073 1
1 550 . 17 1 1 A 54 54 GLY HA2 H 54 4.020 3.487 0.533 1
1 551 . 17 1 1 A 54 54 GLY HA3 H 54 4.020 3.719 0.301 1
1 552 . 17 1 1 A 54 54 GLY CA C 54 48.600 47.377 1.223 1
1 553 . 17 1 1 A 54 54 GLY N N 54 115.400 109.286 6.114 1
1 554 . 17 1 1 A 55 55 TYR HA H 55 4.890 4.675 0.215 1
1 561 . 17 1 1 A 55 55 TYR CA C 55 56.800 58.203 -1.403 1
1 562 . 17 1 1 A 55 55 TYR CB C 55 38.100 38.654 -0.554 1
1 565 . 17 1 1 A 56 56 GLY HA2 H 56 3.850 4.077 -0.227 1
1 566 . 17 1 1 A 56 56 GLY HA3 H 56 4.360 4.170 0.190 1
1 567 . 17 1 1 A 56 56 GLY C C 56 173.100 173.946 -0.846 1
1 568 . 17 1 1 A 56 56 GLY CA C 56 45.600 46.169 -0.569 1
1 569 . 17 1 1 A 57 57 GLN H H 57 7.380 8.012 -0.632 1
1 570 . 17 1 1 A 57 57 GLN HA H 57 4.660 4.603 0.057 1
1 576 . 17 1 1 A 57 57 GLN C C 57 173.800 174.359 -0.559 1
1 577 . 17 1 1 A 57 57 GLN CA C 57 53.400 54.588 -1.188 1
1 578 . 17 1 1 A 57 57 GLN CB C 57 31.600 30.917 0.683 1
1 580 . 17 1 1 A 57 57 GLN N N 57 116.300 120.191 -3.891 1
1 582 . 17 1 1 A 58 58 LEU H H 58 8.100 8.412 -0.312 1
1 583 . 17 1 1 A 58 58 LEU HA H 58 3.250 4.192 -0.942 1
1 593 . 17 1 1 A 58 58 LEU C C 58 174.200 175.252 -1.052 1
1 594 . 17 1 1 A 58 58 LEU CA C 58 55.500 54.502 0.998 1
1 595 . 17 1 1 A 58 58 LEU CB C 58 39.900 41.737 -1.837 1
1 599 . 17 1 1 A 58 58 LEU N N 58 124.400 128.375 -3.975 1
1 600 . 17 1 1 A 59 59 ARG H H 59 8.360 8.210 0.150 1
1 601 . 17 1 1 A 59 59 ARG HA H 59 4.470 4.858 -0.388 1
1 608 . 17 1 1 A 59 59 ARG C C 59 174.000 174.681 -0.681 1
1 609 . 17 1 1 A 59 59 ARG CA C 59 54.200 54.337 -0.137 1
1 610 . 17 1 1 A 59 59 ARG CB C 59 33.000 33.614 -0.614 1
1 613 . 17 1 1 A 59 59 ARG N N 59 130.500 128.215 2.285 1
1 614 . 17 1 1 A 60 60 LEU H H 60 8.480 9.008 -0.528 1
1 615 . 17 1 1 A 60 60 LEU HA H 60 5.260 5.151 0.109 1
1 625 . 17 1 1 A 60 60 LEU C C 60 176.000 175.093 0.907 1
1 626 . 17 1 1 A 60 60 LEU CA C 60 52.500 53.903 -1.403 1
1 627 . 17 1 1 A 60 60 LEU CB C 60 44.200 42.414 1.786 1
1 631 . 17 1 1 A 60 60 LEU N N 60 122.400 126.871 -4.471 1
1 632 . 17 1 1 A 61 61 LYS H H 61 8.900 9.273 -0.373 1
1 633 . 17 1 1 A 61 61 LYS HA H 61 4.160 4.704 -0.544 1
1 642 . 17 1 1 A 61 61 LYS C C 61 174.200 175.512 -1.312 1
1 643 . 17 1 1 A 61 61 LYS CA C 61 54.800 54.107 0.693 1
1 644 . 17 1 1 A 61 61 LYS CB C 61 36.600 34.691 1.909 1
1 648 . 17 1 1 A 61 61 LYS N N 61 123.800 125.739 -1.939 1
1 649 . 17 1 1 A 62 62 GLY H H 62 8.140 8.415 -0.275 1
1 650 . 17 1 1 A 62 62 GLY HA2 H 62 4.160 3.150 1.010 1
1 651 . 17 1 1 A 62 62 GLY HA3 H 62 4.160 3.780 0.380 1
1 652 . 17 1 1 A 62 62 GLY C C 62 172.000 171.918 0.082 1
1 653 . 17 1 1 A 62 62 GLY CA C 62 43.000 43.895 -0.895 1
1 654 . 17 1 1 A 62 62 GLY N N 62 114.000 112.489 1.511 1
1 655 . 17 1 1 A 63 63 PHE H H 63 8.500 8.453 0.047 1
1 656 . 17 1 1 A 63 63 PHE HA H 63 4.800 4.989 -0.189 1
1 664 . 17 1 1 A 63 63 PHE C C 63 175.400 174.374 1.026 1
1 665 . 17 1 1 A 63 63 PHE CA C 63 55.800 56.349 -0.549 1
1 666 . 17 1 1 A 63 63 PHE CB C 63 46.200 43.830 2.370 1
1 670 . 17 1 1 A 63 63 PHE N N 63 118.600 120.675 -2.075 1
1 671 . 17 1 1 A 64 64 PHE H H 64 9.930 8.931 0.999 1
1 672 . 17 1 1 A 64 64 PHE HA H 64 5.460 5.177 0.283 1
1 679 . 17 1 1 A 64 64 PHE C C 64 175.600 174.951 0.649 1
1 680 . 17 1 1 A 64 64 PHE CA C 64 57.500 57.413 0.087 1
1 681 . 17 1 1 A 64 64 PHE CB C 64 43.100 41.908 1.192 1
1 684 . 17 1 1 A 64 64 PHE N N 64 120.100 119.289 0.811 1
1 685 . 17 1 1 A 65 65 ASP H H 65 10.950 8.883 2.067 1
1 686 . 17 1 1 A 65 65 ASP HA H 65 4.860 4.334 0.526 1
1 689 . 17 1 1 A 65 65 ASP C C 65 177.400 175.735 1.665 1
1 690 . 17 1 1 A 65 65 ASP CA C 65 56.400 54.824 1.576 1
1 691 . 17 1 1 A 65 65 ASP CB C 65 42.800 40.759 2.041 1
1 692 . 17 1 1 A 65 65 ASP N N 65 123.200 121.004 2.196 1
1 693 . 17 1 1 A 66 66 ASP H H 66 8.470 8.900 -0.430 1
1 694 . 17 1 1 A 66 66 ASP HA H 66 4.110 4.762 -0.652 1
1 697 . 17 1 1 A 66 66 ASP C C 66 175.300 175.502 -0.202 1
1 698 . 17 1 1 A 66 66 ASP CA C 66 57.800 55.586 2.214 1
1 699 . 17 1 1 A 66 66 ASP CB C 66 42.000 42.090 -0.090 1
1 700 . 17 1 1 A 66 66 ASP N N 66 122.800 123.190 -0.390 1
1 701 . 17 1 1 A 67 67 GLN H H 67 8.500 7.748 0.752 1
1 702 . 17 1 1 A 67 67 GLN HA H 67 4.250 4.537 -0.287 1
1 707 . 17 1 1 A 67 67 GLN C C 67 175.900 176.442 -0.542 1
1 708 . 17 1 1 A 67 67 GLN CA C 67 55.400 54.651 0.749 1
1 709 . 17 1 1 A 67 67 GLN CB C 67 28.300 26.762 1.538 1
1 711 . 17 1 1 A 68 68 ASN H H 68 7.880 8.246 -0.366 1
1 712 . 17 1 1 A 68 68 ASN HA H 68 4.430 4.694 -0.264 1
1 714 . 17 1 1 A 68 68 ASN CA C 68 53.300 53.456 -0.156 1
1 715 . 17 1 1 A 68 68 ASN CB C 68 39.300 38.139 1.161 1
1 716 . 17 1 1 A 68 68 ASN N N 68 121.500 119.641 1.859 1
1 722 . 17 1 1 A 73 73 PHE HA H 73 4.190 4.947 -0.757 1
1 730 . 17 1 1 A 73 73 PHE CA C 73 61.300 56.937 4.363 1
1 731 . 17 1 1 A 73 73 PHE CB C 73 38.600 42.073 -3.473 1
1 735 . 17 1 1 A 74 74 GLU HA H 74 4.290 4.759 -0.469 1
1 738 . 17 1 1 A 74 74 GLU CA C 74 56.800 56.076 0.724 1
1 739 . 17 1 1 A 74 74 GLU CB C 74 29.900 31.049 -1.149 1
1 741 . 17 1 1 A 75 75 THR HA H 75 4.180 4.736 -0.556 1
1 746 . 17 1 1 A 75 75 THR C C 75 174.100 174.105 -0.005 1
1 747 . 17 1 1 A 75 75 THR CA C 75 60.700 60.931 -0.231 1
1 748 . 17 1 1 A 75 75 THR CB C 75 69.800 69.351 0.449 1
1 750 . 17 1 1 A 76 76 LYS HA H 76 3.880 4.284 -0.404 1
1 759 . 17 1 1 A 76 76 LYS CA C 76 55.900 56.571 -0.671 1
1 760 . 17 1 1 A 76 76 LYS CB C 76 32.100 33.255 -1.155 1
1 764 . 17 1 1 A 77 77 ILE H H 77 9.060 8.591 0.469 1
1 765 . 17 1 1 A 77 77 ILE HA H 77 3.850 4.358 -0.508 1
1 775 . 17 1 1 A 77 77 ILE C C 77 175.900 175.995 -0.095 1
1 776 . 17 1 1 A 77 77 ILE CA C 77 59.600 60.221 -0.621 1
1 777 . 17 1 1 A 77 77 ILE CB C 77 38.400 39.729 -1.329 1
1 781 . 17 1 1 A 77 77 ILE N N 77 126.900 127.383 -0.483 1
1 782 . 17 1 1 A 78 78 SER H H 78 8.730 8.937 -0.207 1
1 783 . 17 1 1 A 78 78 SER HA H 78 4.140 3.959 0.181 1
1 786 . 17 1 1 A 78 78 SER C C 78 176.200 176.267 -0.067 1
1 787 . 17 1 1 A 78 78 SER CA C 78 60.800 62.651 -1.851 1
1 788 . 17 1 1 A 78 78 SER CB C 78 61.200 62.845 -1.645 1
1 789 . 17 1 1 A 78 78 SER N N 78 119.000 122.878 -3.878 1
1 790 . 17 1 1 A 79 79 THR H H 79 8.050 7.520 0.530 1
1 791 . 17 1 1 A 79 79 THR HA H 79 4.580 4.006 0.574 1
1 796 . 17 1 1 A 79 79 THR C C 79 174.400 175.949 -1.549 1
1 797 . 17 1 1 A 79 79 THR CA C 79 62.200 64.169 -1.969 1
1 798 . 17 1 1 A 79 79 THR CB C 79 69.300 68.737 0.563 1
1 800 . 17 1 1 A 79 79 THR N N 79 114.300 115.508 -1.208 1
1 801 . 17 1 1 A 80 80 LEU H H 80 7.470 7.699 -0.229 1
1 802 . 17 1 1 A 80 80 LEU HA H 80 3.580 3.471 0.109 1
1 812 . 17 1 1 A 80 80 LEU C C 80 176.500 178.232 -1.732 1
1 813 . 17 1 1 A 80 80 LEU CA C 80 58.400 58.037 0.363 1
1 814 . 17 1 1 A 80 80 LEU CB C 80 41.800 41.487 0.313 1
1 818 . 17 1 1 A 80 80 LEU N N 80 123.200 121.249 1.951 1
1 819 . 17 1 1 A 81 81 ASP H H 81 8.450 7.906 0.544 1
1 820 . 17 1 1 A 81 81 ASP HA H 81 4.060 4.213 -0.153 1
1 823 . 17 1 1 A 81 81 ASP C C 81 178.700 179.158 -0.458 1
1 824 . 17 1 1 A 81 81 ASP CA C 81 57.600 57.211 0.389 1
1 825 . 17 1 1 A 81 81 ASP CB C 81 39.500 39.992 -0.492 1
1 826 . 17 1 1 A 81 81 ASP N N 81 116.000 117.512 -1.512 1
1 827 . 17 1 1 A 82 82 GLU H H 82 7.800 7.885 -0.085 1
1 828 . 17 1 1 A 82 82 GLU HA H 82 4.030 3.987 0.043 1
1 833 . 17 1 1 A 82 82 GLU C C 82 178.500 178.904 -0.404 1
1 834 . 17 1 1 A 82 82 GLU CA C 82 59.100 59.394 -0.294 1
1 835 . 17 1 1 A 82 82 GLU CB C 82 29.300 29.627 -0.327 1
1 837 . 17 1 1 A 82 82 GLU N N 82 120.400 119.919 0.481 1
1 838 . 17 1 1 A 83 83 TYR H H 83 8.190 7.938 0.252 1
1 839 . 17 1 1 A 83 83 TYR HA H 83 4.410 4.243 0.167 1
1 846 . 17 1 1 A 83 83 TYR C C 83 176.700 177.139 -0.439 1
1 847 . 17 1 1 A 83 83 TYR CA C 83 60.900 61.448 -0.548 1
1 848 . 17 1 1 A 83 83 TYR CB C 83 37.600 38.613 -1.013 1
1 851 . 17 1 1 A 83 83 TYR N N 83 122.900 121.259 1.641 1
1 852 . 17 1 1 A 84 84 ILE H H 84 8.400 8.659 -0.259 1
1 853 . 17 1 1 A 84 84 ILE HA H 84 3.240 3.509 -0.269 1
1 863 . 17 1 1 A 84 84 ILE C C 84 178.000 177.718 0.282 1
1 864 . 17 1 1 A 84 84 ILE CA C 84 60.800 65.001 -4.201 1
1 865 . 17 1 1 A 84 84 ILE CB C 84 35.500 37.404 -1.904 1
1 869 . 17 1 1 A 84 84 ILE N N 84 119.100 120.781 -1.681 1
1 870 . 17 1 1 A 85 85 TYR H H 85 7.820 8.495 -0.675 1
1 871 . 17 1 1 A 85 85 TYR HA H 85 3.910 3.961 -0.051 1
1 878 . 17 1 1 A 85 85 TYR C C 85 176.800 177.797 -0.997 1
1 879 . 17 1 1 A 85 85 TYR CA C 85 60.700 61.099 -0.399 1
1 880 . 17 1 1 A 85 85 TYR CB C 85 37.900 38.602 -0.702 1
1 883 . 17 1 1 A 85 85 TYR N N 85 119.100 121.631 -2.531 1
1 884 . 17 1 1 A 86 86 GLU H H 86 7.660 8.090 -0.430 1
1 885 . 17 1 1 A 86 86 GLU HA H 86 3.690 3.940 -0.250 1
1 890 . 17 1 1 A 86 86 GLU C C 86 177.900 176.983 0.917 1
1 891 . 17 1 1 A 86 86 GLU CA C 86 58.200 58.662 -0.462 1
1 892 . 17 1 1 A 86 86 GLU CB C 86 29.500 28.935 0.565 1
1 894 . 17 1 1 A 86 86 GLU N N 86 116.700 117.644 -0.944 1
1 895 . 17 1 1 A 87 87 TYR H H 87 8.010 7.644 0.366 1
1 896 . 17 1 1 A 87 87 TYR HA H 87 4.090 4.243 -0.153 1
1 903 . 17 1 1 A 87 87 TYR C C 87 176.000 175.659 0.341 1
1 904 . 17 1 1 A 87 87 TYR CA C 87 60.100 59.094 1.006 1
1 905 . 17 1 1 A 87 87 TYR CB C 87 37.300 39.408 -2.108 1
1 908 . 17 1 1 A 87 87 TYR N N 87 114.900 113.832 1.068 1
1 909 . 17 1 1 A 88 88 CYS H H 88 8.300 8.016 0.284 1
1 910 . 17 1 1 A 88 88 CYS HA H 88 4.760 4.657 0.103 1
1 913 . 17 1 1 A 88 88 CYS CA C 88 53.500 54.375 -0.875 1
1 914 . 17 1 1 A 88 88 CYS CB C 88 42.000 43.914 -1.914 1
1 915 . 17 1 1 A 88 88 CYS N N 88 119.700 116.304 3.396 1
1 916 . 17 1 1 A 89 89 ASN C C 89 176.500 176.366 0.134 1
1 917 . 17 1 1 A 90 90 PHE HA H 90 4.590 4.624 -0.034 1
1 925 . 17 1 1 A 90 90 PHE CA C 90 57.400 57.691 -0.291 1
1 926 . 17 1 1 A 90 90 PHE CB C 90 38.200 39.360 -1.160 1
1 930 . 17 1 1 A 92 92 CYS HA H 92 4.660 5.231 -0.571 1
1 933 . 17 1 1 A 92 92 CYS C C 92 172.000 172.333 -0.333 1
1 934 . 17 1 1 A 92 92 CYS CA C 92 55.000 55.202 -0.202 1
1 935 . 17 1 1 A 92 92 CYS CB C 92 47.400 45.392 2.008 1
1 936 . 17 1 1 A 93 93 ALA H H 93 8.670 8.405 0.265 1
1 937 . 17 1 1 A 93 93 ALA HA H 93 4.520 5.106 -0.586 1
1 941 . 17 1 1 A 93 93 ALA C C 93 177.400 177.229 0.171 1
1 942 . 17 1 1 A 93 93 ALA CA C 93 52.400 52.435 -0.035 1
1 943 . 17 1 1 A 93 93 ALA CB C 93 19.800 18.906 0.894 1
1 944 . 17 1 1 A 93 93 ALA N N 93 126.000 123.999 2.001 1
1 945 . 17 1 1 A 94 94 TYR H H 94 8.460 8.249 0.211 1
1 946 . 17 1 1 A 94 94 TYR HA H 94 5.570 5.793 -0.223 1
1 953 . 17 1 1 A 94 94 TYR C C 94 171.500 173.842 -2.342 1
1 954 . 17 1 1 A 94 94 TYR CA C 94 57.200 56.415 0.785 1
1 955 . 17 1 1 A 94 94 TYR CB C 94 39.800 40.872 -1.072 1
1 958 . 17 1 1 A 94 94 TYR N N 94 116.200 118.777 -2.577 1
1 959 . 17 1 1 A 95 95 PHE H H 95 9.220 8.977 0.243 1
1 960 . 17 1 1 A 95 95 PHE HA H 95 5.280 5.633 -0.353 1
1 967 . 17 1 1 A 95 95 PHE C C 95 172.900 172.890 0.010 1
1 968 . 17 1 1 A 95 95 PHE CA C 95 55.200 56.008 -0.808 1
1 969 . 17 1 1 A 95 95 PHE CB C 95 42.400 42.366 0.034 1
1 972 . 17 1 1 A 95 95 PHE N N 95 114.100 116.671 -2.571 1
1 973 . 17 1 1 A 96 96 VAL H H 96 9.130 8.892 0.238 1
1 974 . 17 1 1 A 96 96 VAL HA H 96 4.860 4.923 -0.063 1
1 982 . 17 1 1 A 96 96 VAL C C 96 174.800 175.169 -0.369 1
1 983 . 17 1 1 A 96 96 VAL CA C 96 61.400 60.833 0.567 1
1 984 . 17 1 1 A 96 96 VAL CB C 96 35.100 35.690 -0.590 1
1 987 . 17 1 1 A 96 96 VAL N N 96 118.400 119.835 -1.435 1
1 988 . 17 1 1 A 97 97 LEU H H 97 9.610 9.318 0.292 1
1 989 . 17 1 1 A 97 97 LEU HA H 97 5.380 5.571 -0.191 1
1 999 . 17 1 1 A 97 97 LEU C C 97 175.700 175.181 0.519 1
1 1000 . 17 1 1 A 97 97 LEU CA C 97 52.100 53.532 -1.432 1
1 1001 . 17 1 1 A 97 97 LEU CB C 97 44.500 45.388 -0.888 1
1 1005 . 17 1 1 A 97 97 LEU N N 97 126.100 126.436 -0.336 1
1 1006 . 17 1 1 A 98 98 LYS H H 98 9.660 8.964 0.696 1
1 1007 . 17 1 1 A 98 98 LYS HA H 98 4.740 4.865 -0.125 1
1 1016 . 17 1 1 A 98 98 LYS C C 98 175.500 175.044 0.456 1
1 1017 . 17 1 1 A 98 98 LYS CA C 98 54.400 54.380 0.020 1
1 1018 . 17 1 1 A 98 98 LYS CB C 98 37.500 35.916 1.584 1
1 1022 . 17 1 1 A 98 98 LYS N N 98 123.900 124.238 -0.338 1
1 1023 . 17 1 1 A 99 99 ARG H H 99 8.400 8.398 0.002 1
1 1024 . 17 1 1 A 99 99 ARG HA H 99 4.040 4.303 -0.263 1
1 1031 . 17 1 1 A 99 99 ARG C C 99 174.800 176.196 -1.396 1
1 1032 . 17 1 1 A 99 99 ARG CA C 99 55.500 56.177 -0.677 1
1 1033 . 17 1 1 A 99 99 ARG CB C 99 30.000 30.106 -0.106 1
1 1036 . 17 1 1 A 99 99 ARG N N 99 128.700 126.170 2.530 1
1 1037 . 17 1 1 A 100 100 ILE H H 100 8.660 8.990 -0.330 1
1 1038 . 17 1 1 A 100 100 ILE HA H 100 4.150 3.746 0.404 1
1 1048 . 17 1 1 A 100 100 ILE CA C 100 59.100 63.306 -4.206 1
1 1049 . 17 1 1 A 100 100 ILE CB C 100 36.300 38.310 -2.010 1
1 1053 . 17 1 1 A 100 100 ILE N N 100 130.500 126.515 3.985 1
1 1054 . 17 1 1 A 101 101 ARG C C 101 177.000 176.612 0.388 1
1 1055 . 17 1 1 A 102 102 LYS C C 102 178.900 176.188 2.712 1
1 1056 . 17 1 1 A 103 103 LEU HA H 103 4.230 4.174 0.056 1
1 1066 . 17 1 1 A 103 103 LEU CA C 103 54.900 56.184 -1.284 1
1 1067 . 17 1 1 A 103 103 LEU CB C 103 42.100 42.330 -0.230 1
1 1071 . 17 1 1 A 104 104 GLU HA H 104 4.010 5.150 -1.140 1
1 1075 . 17 1 1 A 104 104 GLU CA C 104 58.300 55.070 3.230 1
1 1076 . 17 1 1 A 104 104 GLU CB C 104 28.300 32.097 -3.797 1
1 1 . 18 1 1 A 10 10 GLU HA H 10 4.230 3.909 0.321 1
1 6 . 18 1 1 A 10 10 GLU C C 10 176.100 176.496 -0.396 1
1 7 . 18 1 1 A 10 10 GLU CA C 10 56.800 59.364 -2.564 1
1 8 . 18 1 1 A 10 10 GLU CB C 10 30.400 29.876 0.524 1
1 10 . 18 1 1 A 11 11 ILE H H 11 8.270 8.217 0.053 1
1 11 . 18 1 1 A 11 11 ILE HA H 11 4.100 4.125 -0.025 1
1 21 . 18 1 1 A 11 11 ILE C C 11 173.900 174.454 -0.554 1
1 22 . 18 1 1 A 11 11 ILE CA C 11 60.900 60.744 0.156 1
1 23 . 18 1 1 A 11 11 ILE CB C 11 38.300 38.137 0.163 1
1 27 . 18 1 1 A 11 11 ILE N N 11 121.800 118.480 3.320 1
1 28 . 18 1 1 A 12 12 MET H H 12 8.150 8.431 -0.281 1
1 29 . 18 1 1 A 12 12 MET HA H 12 5.250 4.842 0.408 1
1 37 . 18 1 1 A 12 12 MET C C 12 175.500 175.466 0.034 1
1 38 . 18 1 1 A 12 12 MET CA C 12 53.100 54.816 -1.716 1
1 39 . 18 1 1 A 12 12 MET CB C 12 33.600 33.196 0.404 1
1 42 . 18 1 1 A 12 12 MET N N 12 125.200 125.629 -0.429 1
1 43 . 18 1 1 A 13 13 ILE H H 13 9.200 9.006 0.194 1
1 44 . 18 1 1 A 13 13 ILE HA H 13 4.400 4.522 -0.122 1
1 54 . 18 1 1 A 13 13 ILE C C 13 173.500 174.726 -1.226 1
1 55 . 18 1 1 A 13 13 ILE CA C 13 59.600 60.704 -1.104 1
1 56 . 18 1 1 A 13 13 ILE CB C 13 40.500 38.834 1.666 1
1 60 . 18 1 1 A 13 13 ILE N N 13 123.700 124.898 -1.198 1
1 61 . 18 1 1 A 14 14 LEU H H 14 8.550 9.164 -0.614 1
1 62 . 18 1 1 A 14 14 LEU HA H 14 5.200 5.294 -0.094 1
1 72 . 18 1 1 A 14 14 LEU C C 14 176.100 176.061 0.039 1
1 73 . 18 1 1 A 14 14 LEU CA C 14 53.700 53.827 -0.127 1
1 74 . 18 1 1 A 14 14 LEU CB C 14 43.700 41.742 1.958 1
1 78 . 18 1 1 A 14 14 LEU N N 14 128.800 128.691 0.109 1
1 79 . 18 1 1 A 15 15 ILE H H 15 8.780 8.954 -0.174 1
1 80 . 18 1 1 A 15 15 ILE HA H 15 4.350 4.500 -0.150 1
1 90 . 18 1 1 A 15 15 ILE CA C 15 58.700 60.217 -1.517 1
1 91 . 18 1 1 A 15 15 ILE CB C 15 39.800 41.048 -1.248 1
1 95 . 18 1 1 A 15 15 ILE N N 15 123.000 124.197 -1.197 1
1 96 . 18 1 1 A 16 16 GLN HA H 16 3.710 4.143 -0.433 1
1 100 . 18 1 1 A 16 16 GLN CA C 16 57.700 57.511 0.189 1
1 101 . 18 1 1 A 16 16 GLN CB C 16 26.500 27.173 -0.673 1
1 103 . 18 1 1 A 17 17 ASN HA H 17 4.460 4.357 0.103 1
1 108 . 18 1 1 A 17 17 ASN C C 17 173.300 173.858 -0.558 1
1 109 . 18 1 1 A 17 17 ASN CA C 17 53.900 54.768 -0.868 1
1 110 . 18 1 1 A 17 17 ASN CB C 17 38.100 37.186 0.914 1
1 112 . 18 1 1 A 18 18 ALA H H 18 8.450 7.401 1.049 1
1 113 . 18 1 1 A 18 18 ALA HA H 18 4.250 4.864 -0.614 1
1 117 . 18 1 1 A 18 18 ALA C C 18 174.000 174.947 -0.947 1
1 118 . 18 1 1 A 18 18 ALA CA C 18 51.600 50.754 0.846 1
1 119 . 18 1 1 A 18 18 ALA CB C 18 20.500 22.608 -2.108 1
1 120 . 18 1 1 A 18 18 ALA N N 18 125.200 119.332 5.868 1
1 121 . 18 1 1 A 19 19 GLU H H 19 7.930 8.437 -0.507 1
1 122 . 18 1 1 A 19 19 GLU HA H 19 5.000 4.739 0.261 1
1 127 . 18 1 1 A 19 19 GLU C C 19 174.500 175.291 -0.791 1
1 128 . 18 1 1 A 19 19 GLU CA C 19 54.400 54.745 -0.345 1
1 129 . 18 1 1 A 19 19 GLU CB C 19 32.500 31.022 1.478 1
1 131 . 18 1 1 A 19 19 GLU N N 19 121.700 122.760 -1.060 1
1 132 . 18 1 1 A 20 20 PHE H H 20 9.110 9.317 -0.207 1
1 133 . 18 1 1 A 20 20 PHE HA H 20 5.340 5.319 0.021 1
1 141 . 18 1 1 A 20 20 PHE C C 20 173.900 174.356 -0.456 1
1 142 . 18 1 1 A 20 20 PHE CA C 20 55.800 56.800 -1.000 1
1 143 . 18 1 1 A 20 20 PHE CB C 20 44.800 42.307 2.493 1
1 147 . 18 1 1 A 20 20 PHE N N 20 120.100 125.733 -5.633 1
1 148 . 18 1 1 A 21 21 GLU H H 21 9.200 9.138 0.062 1
1 149 . 18 1 1 A 21 21 GLU HA H 21 5.040 4.987 0.053 1
1 154 . 18 1 1 A 21 21 GLU C C 21 176.200 174.799 1.401 1
1 155 . 18 1 1 A 21 21 GLU CA C 21 53.700 54.542 -0.842 1
1 156 . 18 1 1 A 21 21 GLU CB C 21 33.600 32.946 0.654 1
1 158 . 18 1 1 A 21 21 GLU N N 21 120.800 119.426 1.374 1
1 159 . 18 1 1 A 22 22 LEU H H 22 8.590 8.476 0.114 1
1 160 . 18 1 1 A 22 22 LEU HA H 22 4.420 4.339 0.081 1
1 170 . 18 1 1 A 22 22 LEU C C 22 175.200 176.942 -1.742 1
1 171 . 18 1 1 A 22 22 LEU CA C 22 54.900 54.579 0.321 1
1 172 . 18 1 1 A 22 22 LEU CB C 22 41.000 41.534 -0.534 1
1 176 . 18 1 1 A 22 22 LEU N N 22 127.900 126.293 1.607 1
1 177 . 18 1 1 A 23 23 VAL H H 23 8.350 8.685 -0.335 1
1 178 . 18 1 1 A 23 23 VAL HA H 23 4.460 4.265 0.195 1
1 186 . 18 1 1 A 23 23 VAL C C 23 175.500 175.814 -0.314 1
1 187 . 18 1 1 A 23 23 VAL CA C 23 62.100 63.032 -0.932 1
1 188 . 18 1 1 A 23 23 VAL CB C 23 32.600 32.702 -0.102 1
1 191 . 18 1 1 A 23 23 VAL N N 23 122.700 122.039 0.661 1
1 192 . 18 1 1 A 24 24 HIS H H 24 7.590 7.225 0.365 1
1 193 . 18 1 1 A 24 24 HIS HA H 24 4.750 4.849 -0.099 1
1 197 . 18 1 1 A 24 24 HIS CA C 24 56.800 55.862 0.938 1
1 198 . 18 1 1 A 24 24 HIS CB C 24 34.800 32.958 1.842 1
1 200 . 18 1 1 A 24 24 HIS N N 24 118.300 120.682 -2.382 1
1 201 . 18 1 1 A 25 25 ASN HA H 25 5.070 5.268 -0.198 1
1 206 . 18 1 1 A 25 25 ASN C C 25 172.500 173.042 -0.542 1
1 207 . 18 1 1 A 25 25 ASN CA C 25 52.000 51.759 0.241 1
1 208 . 18 1 1 A 25 25 ASN CB C 25 40.400 41.061 -0.661 1
1 210 . 18 1 1 A 26 26 PHE H H 26 9.000 8.873 0.127 1
1 211 . 18 1 1 A 26 26 PHE HA H 26 4.540 4.436 0.104 1
1 219 . 18 1 1 A 26 26 PHE C C 26 174.500 174.933 -0.433 1
1 220 . 18 1 1 A 26 26 PHE CA C 26 57.100 57.325 -0.225 1
1 221 . 18 1 1 A 26 26 PHE CB C 26 40.900 39.949 0.951 1
1 225 . 18 1 1 A 26 26 PHE N N 26 128.200 128.007 0.193 1
1 226 . 18 1 1 A 27 27 LYS H H 27 8.700 9.137 -0.437 1
1 227 . 18 1 1 A 27 27 LYS HA H 27 3.290 3.681 -0.391 1
1 236 . 18 1 1 A 27 27 LYS C C 27 174.500 175.564 -1.064 1
1 237 . 18 1 1 A 27 27 LYS CA C 27 56.800 57.302 -0.502 1
1 238 . 18 1 1 A 27 27 LYS CB C 27 29.500 29.773 -0.273 1
1 242 . 18 1 1 A 27 27 LYS N N 27 126.000 127.506 -1.506 1
1 243 . 18 1 1 A 28 28 ASP H H 28 8.560 8.334 0.226 1
1 244 . 18 1 1 A 28 28 ASP HA H 28 4.080 4.298 -0.218 1
1 247 . 18 1 1 A 28 28 ASP C C 28 174.700 177.031 -2.331 1
1 248 . 18 1 1 A 28 28 ASP CA C 28 54.800 55.579 -0.779 1
1 249 . 18 1 1 A 28 28 ASP CB C 28 39.100 39.346 -0.246 1
1 250 . 18 1 1 A 28 28 ASP N N 28 112.300 111.070 1.230 1
1 251 . 18 1 1 A 29 29 GLY H H 29 7.160 7.842 -0.682 1
1 252 . 18 1 1 A 29 29 GLY HA2 H 29 3.490 3.899 -0.409 1
1 253 . 18 1 1 A 29 29 GLY HA3 H 29 3.780 4.243 -0.463 1
1 254 . 18 1 1 A 29 29 GLY C C 29 174.800 174.607 0.193 1
1 255 . 18 1 1 A 29 29 GLY CA C 29 47.600 46.422 1.178 1
1 256 . 18 1 1 A 29 29 GLY N N 29 101.900 106.243 -4.343 1
1 257 . 18 1 1 A 30 30 PHE H H 30 9.400 8.003 1.397 1
1 258 . 18 1 1 A 30 30 PHE HA H 30 3.380 3.990 -0.610 1
1 266 . 18 1 1 A 30 30 PHE CA C 30 60.700 58.590 2.110 1
1 267 . 18 1 1 A 30 30 PHE CB C 30 37.700 39.611 -1.911 1
1 271 . 18 1 1 A 30 30 PHE N N 30 120.800 121.413 -0.613 1
1 272 . 18 1 1 A 31 31 ASN H H 31 5.090 7.868 -2.778 1
1 273 . 18 1 1 A 31 31 ASN HA H 31 4.220 4.615 -0.395 1
1 276 . 18 1 1 A 31 31 ASN CA C 31 52.400 52.611 -0.211 1
1 277 . 18 1 1 A 31 31 ASN CB C 31 41.100 40.211 0.889 1
1 278 . 18 1 1 A 31 31 ASN N N 31 125.400 123.748 1.652 1
1 279 . 18 1 1 A 32 32 GLU HA H 32 3.290 3.507 -0.217 1
1 284 . 18 1 1 A 32 32 GLU C C 32 176.900 177.898 -0.998 1
1 285 . 18 1 1 A 32 32 GLU CA C 32 60.600 59.814 0.786 1
1 286 . 18 1 1 A 32 32 GLU CB C 32 29.500 29.463 0.037 1
1 288 . 18 1 1 A 33 33 GLU H H 33 8.320 8.331 -0.011 1
1 289 . 18 1 1 A 33 33 GLU HA H 33 3.880 4.054 -0.174 1
1 294 . 18 1 1 A 33 33 GLU C C 33 179.300 178.646 0.654 1
1 295 . 18 1 1 A 33 33 GLU CA C 33 59.600 59.441 0.159 1
1 296 . 18 1 1 A 33 33 GLU CB C 33 28.700 28.853 -0.153 1
1 298 . 18 1 1 A 33 33 GLU N N 33 119.000 117.683 1.317 1
1 299 . 18 1 1 A 34 34 ALA H H 34 8.330 8.064 0.266 1
1 300 . 18 1 1 A 34 34 ALA HA H 34 4.130 4.134 -0.004 1
1 304 . 18 1 1 A 34 34 ALA C C 34 179.600 179.667 -0.067 1
1 305 . 18 1 1 A 34 34 ALA CA C 34 54.400 55.066 -0.666 1
1 306 . 18 1 1 A 34 34 ALA CB C 34 18.400 18.348 0.052 1
1 307 . 18 1 1 A 34 34 ALA N N 34 122.200 122.460 -0.260 1
1 308 . 18 1 1 A 35 35 PHE H H 35 8.040 8.210 -0.170 1
1 309 . 18 1 1 A 35 35 PHE HA H 35 4.020 4.164 -0.144 1
1 317 . 18 1 1 A 35 35 PHE C C 35 176.100 177.182 -1.082 1
1 318 . 18 1 1 A 35 35 PHE CA C 35 61.000 61.143 -0.143 1
1 319 . 18 1 1 A 35 35 PHE CB C 35 39.000 39.162 -0.162 1
1 323 . 18 1 1 A 35 35 PHE N N 35 117.100 120.073 -2.973 1
1 324 . 18 1 1 A 36 36 LYS H H 36 8.490 8.443 0.047 1
1 325 . 18 1 1 A 36 36 LYS HA H 36 3.320 3.932 -0.612 1
1 334 . 18 1 1 A 36 36 LYS C C 36 178.000 178.623 -0.623 1
1 335 . 18 1 1 A 36 36 LYS CA C 36 59.800 58.857 0.943 1
1 336 . 18 1 1 A 36 36 LYS CB C 36 32.100 32.175 -0.075 1
1 340 . 18 1 1 A 36 36 LYS N N 36 118.100 118.434 -0.334 1
1 341 . 18 1 1 A 37 37 ALA H H 37 7.450 7.182 0.268 1
1 342 . 18 1 1 A 37 37 ALA HA H 37 4.130 4.087 0.043 1
1 346 . 18 1 1 A 37 37 ALA C C 37 178.500 178.653 -0.153 1
1 347 . 18 1 1 A 37 37 ALA CA C 37 53.600 54.503 -0.903 1
1 348 . 18 1 1 A 37 37 ALA CB C 37 18.500 18.297 0.203 1
1 349 . 18 1 1 A 37 37 ALA N N 37 117.700 121.261 -3.561 1
1 350 . 18 1 1 A 38 38 ARG H H 38 7.160 7.417 -0.257 1
1 351 . 18 1 1 A 38 38 ARG HA H 38 4.340 4.439 -0.099 1
1 358 . 18 1 1 A 38 38 ARG C C 38 175.400 175.419 -0.019 1
1 359 . 18 1 1 A 38 38 ARG CA C 38 54.200 55.346 -1.146 1
1 360 . 18 1 1 A 38 38 ARG CB C 38 31.400 31.177 0.223 1
1 363 . 18 1 1 A 38 38 ARG N N 38 114.800 114.736 0.064 1
1 364 . 18 1 1 A 39 39 TYR H H 39 7.510 7.445 0.065 1
1 365 . 18 1 1 A 39 39 TYR HA H 39 3.350 4.239 -0.889 1
1 372 . 18 1 1 A 39 39 TYR C C 39 173.700 175.016 -1.316 1
1 373 . 18 1 1 A 39 39 TYR CA C 39 60.800 59.115 1.685 1
1 374 . 18 1 1 A 39 39 TYR CB C 39 38.000 38.901 -0.901 1
1 377 . 18 1 1 A 39 39 TYR N N 39 122.600 122.806 -0.206 1
1 378 . 18 1 1 A 40 40 SER H H 40 5.730 7.797 -2.067 1
1 379 . 18 1 1 A 40 40 SER HA H 40 4.470 4.806 -0.336 1
1 382 . 18 1 1 A 40 40 SER CA C 40 56.100 55.740 0.360 1
1 383 . 18 1 1 A 40 40 SER CB C 40 65.100 65.294 -0.194 1
1 384 . 18 1 1 A 40 40 SER N N 40 119.100 121.294 -2.194 1
1 385 . 18 1 1 A 41 41 ASP HA H 41 4.210 4.282 -0.072 1
1 388 . 18 1 1 A 41 41 ASP CA C 41 56.700 56.571 0.129 1
1 389 . 18 1 1 A 41 41 ASP CB C 41 40.500 40.349 0.151 1
1 390 . 18 1 1 A 42 42 ILE HA H 42 4.030 3.880 0.150 1
1 400 . 18 1 1 A 42 42 ILE C C 42 176.600 177.710 -1.110 1
1 401 . 18 1 1 A 42 42 ILE CA C 42 63.200 62.901 0.299 1
1 402 . 18 1 1 A 42 42 ILE CB C 42 37.600 37.486 0.114 1
1 406 . 18 1 1 A 43 43 LEU H H 43 7.700 7.748 -0.048 1
1 407 . 18 1 1 A 43 43 LEU HA H 43 4.560 4.370 0.190 1
1 417 . 18 1 1 A 43 43 LEU C C 43 178.000 179.185 -1.185 1
1 418 . 18 1 1 A 43 43 LEU CA C 43 54.700 56.235 -1.535 1
1 419 . 18 1 1 A 43 43 LEU CB C 43 40.800 42.225 -1.425 1
1 423 . 18 1 1 A 43 43 LEU N N 43 117.500 120.548 -3.048 1
1 424 . 18 1 1 A 44 44 ASN H H 44 7.870 8.150 -0.280 1
1 425 . 18 1 1 A 44 44 ASN HA H 44 4.480 4.790 -0.310 1
1 428 . 18 1 1 A 44 44 ASN CA C 44 55.300 56.787 -1.487 1
1 429 . 18 1 1 A 44 44 ASN CB C 44 38.200 39.119 -0.919 1
1 430 . 18 1 1 A 44 44 ASN N N 44 118.400 118.318 0.082 1
1 431 . 18 1 1 A 45 45 LYS HA H 45 4.200 4.128 0.072 1
1 440 . 18 1 1 A 45 45 LYS C C 45 176.200 177.434 -1.234 1
1 441 . 18 1 1 A 45 45 LYS CA C 45 56.500 58.353 -1.853 1
1 442 . 18 1 1 A 45 45 LYS CB C 45 32.000 31.293 0.707 1
1 446 . 18 1 1 A 46 46 TYR H H 46 6.770 7.449 -0.679 1
1 447 . 18 1 1 A 46 46 TYR HA H 46 3.900 4.387 -0.487 1
1 454 . 18 1 1 A 46 46 TYR C C 46 175.500 175.149 0.351 1
1 455 . 18 1 1 A 46 46 TYR CA C 46 59.200 58.566 0.634 1
1 456 . 18 1 1 A 46 46 TYR CB C 46 38.700 38.729 -0.029 1
1 459 . 18 1 1 A 46 46 TYR N N 46 117.400 118.438 -1.038 1
1 460 . 18 1 1 A 47 47 ASP H H 47 7.540 7.933 -0.393 1
1 461 . 18 1 1 A 47 47 ASP HA H 47 4.880 4.260 0.620 1
1 464 . 18 1 1 A 47 47 ASP C C 47 175.100 174.128 0.972 1
1 465 . 18 1 1 A 47 47 ASP CA C 47 56.100 55.581 0.519 1
1 466 . 18 1 1 A 47 47 ASP CB C 47 43.100 39.492 3.608 1
1 467 . 18 1 1 A 47 47 ASP N N 47 118.300 117.094 1.206 1
1 468 . 18 1 1 A 48 48 TYR H H 48 8.640 8.042 0.598 1
1 469 . 18 1 1 A 48 48 TYR HA H 48 5.670 5.488 0.182 1
1 476 . 18 1 1 A 48 48 TYR C C 48 174.700 174.945 -0.245 1
1 477 . 18 1 1 A 48 48 TYR CA C 48 55.900 56.664 -0.764 1
1 478 . 18 1 1 A 48 48 TYR CB C 48 43.500 42.090 1.410 1
1 481 . 18 1 1 A 48 48 TYR N N 48 116.700 118.340 -1.640 1
1 482 . 18 1 1 A 49 49 ILE H H 49 9.130 9.355 -0.225 1
1 483 . 18 1 1 A 49 49 ILE HA H 49 4.660 4.940 -0.280 1
1 493 . 18 1 1 A 49 49 ILE C C 49 173.900 174.958 -1.058 1
1 494 . 18 1 1 A 49 49 ILE CA C 49 59.400 60.072 -0.672 1
1 495 . 18 1 1 A 49 49 ILE CB C 49 40.700 39.842 0.858 1
1 499 . 18 1 1 A 49 49 ILE N N 49 119.500 124.270 -4.770 1
1 500 . 18 1 1 A 50 50 VAL H H 50 9.220 9.242 -0.022 1
1 501 . 18 1 1 A 50 50 VAL HA H 50 4.860 5.048 -0.188 1
1 509 . 18 1 1 A 50 50 VAL C C 50 175.200 175.060 0.140 1
1 510 . 18 1 1 A 50 50 VAL CA C 50 60.100 60.739 -0.639 1
1 511 . 18 1 1 A 50 50 VAL CB C 50 33.400 34.115 -0.715 1
1 514 . 18 1 1 A 50 50 VAL N N 50 128.600 129.054 -0.454 1
1 515 . 18 1 1 A 51 51 GLY H H 51 7.860 8.256 -0.396 1
1 516 . 18 1 1 A 51 51 GLY HA2 H 51 5.420 3.492 1.928 1
1 517 . 18 1 1 A 51 51 GLY HA3 H 51 2.080 3.983 -1.903 1
1 518 . 18 1 1 A 51 51 GLY C C 51 170.700 172.111 -1.411 1
1 519 . 18 1 1 A 51 51 GLY CA C 51 43.600 44.145 -0.545 1
1 520 . 18 1 1 A 51 51 GLY N N 51 116.100 114.900 1.200 1
1 521 . 18 1 1 A 52 52 ASP H H 52 8.940 8.465 0.475 1
1 522 . 18 1 1 A 52 52 ASP HA H 52 5.540 5.575 -0.035 1
1 525 . 18 1 1 A 52 52 ASP C C 52 174.200 176.010 -1.810 1
1 526 . 18 1 1 A 52 52 ASP CA C 52 53.000 52.177 0.823 1
1 527 . 18 1 1 A 52 52 ASP CB C 52 47.100 43.066 4.034 1
1 528 . 18 1 1 A 52 52 ASP N N 52 121.200 120.264 0.936 1
1 529 . 18 1 1 A 53 53 TRP H H 53 7.980 9.060 -1.080 1
1 530 . 18 1 1 A 53 53 TRP HA H 53 4.950 5.091 -0.141 1
1 539 . 18 1 1 A 53 53 TRP C C 53 178.500 177.616 0.884 1
1 540 . 18 1 1 A 53 53 TRP CA C 53 56.200 56.884 -0.684 1
1 541 . 18 1 1 A 53 53 TRP CB C 53 28.500 29.655 -1.155 1
1 547 . 18 1 1 A 53 53 TRP N N 53 119.900 120.275 -0.375 1
1 549 . 18 1 1 A 54 54 GLY H H 54 10.320 8.420 1.900 1
1 550 . 18 1 1 A 54 54 GLY HA2 H 54 4.020 3.988 0.032 1
1 551 . 18 1 1 A 54 54 GLY HA3 H 54 4.020 4.069 -0.049 1
1 552 . 18 1 1 A 54 54 GLY CA C 54 48.600 47.607 0.993 1
1 553 . 18 1 1 A 54 54 GLY N N 54 115.400 109.574 5.826 1
1 554 . 18 1 1 A 55 55 TYR HA H 55 4.890 4.864 0.026 1
1 561 . 18 1 1 A 55 55 TYR CA C 55 56.800 57.522 -0.722 1
1 562 . 18 1 1 A 55 55 TYR CB C 55 38.100 38.809 -0.709 1
1 565 . 18 1 1 A 56 56 GLY HA2 H 56 3.850 4.043 -0.193 1
1 566 . 18 1 1 A 56 56 GLY HA3 H 56 4.360 4.307 0.053 1
1 567 . 18 1 1 A 56 56 GLY C C 56 173.100 174.169 -1.069 1
1 568 . 18 1 1 A 56 56 GLY CA C 56 45.600 46.798 -1.198 1
1 569 . 18 1 1 A 57 57 GLN H H 57 7.380 7.802 -0.422 1
1 570 . 18 1 1 A 57 57 GLN HA H 57 4.660 4.911 -0.251 1
1 576 . 18 1 1 A 57 57 GLN C C 57 173.800 173.823 -0.023 1
1 577 . 18 1 1 A 57 57 GLN CA C 57 53.400 54.696 -1.296 1
1 578 . 18 1 1 A 57 57 GLN CB C 57 31.600 29.726 1.874 1
1 580 . 18 1 1 A 57 57 GLN N N 57 116.300 115.186 1.114 1
1 582 . 18 1 1 A 58 58 LEU H H 58 8.100 8.574 -0.474 1
1 583 . 18 1 1 A 58 58 LEU HA H 58 3.250 3.991 -0.741 1
1 593 . 18 1 1 A 58 58 LEU C C 58 174.200 174.437 -0.237 1
1 594 . 18 1 1 A 58 58 LEU CA C 58 55.500 54.180 1.320 1
1 595 . 18 1 1 A 58 58 LEU CB C 58 39.900 41.663 -1.763 1
1 599 . 18 1 1 A 58 58 LEU N N 58 124.400 127.353 -2.953 1
1 600 . 18 1 1 A 59 59 ARG H H 59 8.360 8.500 -0.140 1
1 601 . 18 1 1 A 59 59 ARG HA H 59 4.470 4.775 -0.305 1
1 608 . 18 1 1 A 59 59 ARG C C 59 174.000 174.688 -0.688 1
1 609 . 18 1 1 A 59 59 ARG CA C 59 54.200 54.393 -0.193 1
1 610 . 18 1 1 A 59 59 ARG CB C 59 33.000 33.088 -0.088 1
1 613 . 18 1 1 A 59 59 ARG N N 59 130.500 126.780 3.720 1
1 614 . 18 1 1 A 60 60 LEU H H 60 8.480 8.976 -0.496 1
1 615 . 18 1 1 A 60 60 LEU HA H 60 5.260 4.872 0.388 1
1 625 . 18 1 1 A 60 60 LEU C C 60 176.000 175.253 0.747 1
1 626 . 18 1 1 A 60 60 LEU CA C 60 52.500 53.963 -1.463 1
1 627 . 18 1 1 A 60 60 LEU CB C 60 44.200 42.472 1.728 1
1 631 . 18 1 1 A 60 60 LEU N N 60 122.400 125.258 -2.858 1
1 632 . 18 1 1 A 61 61 LYS H H 61 8.900 9.184 -0.284 1
1 633 . 18 1 1 A 61 61 LYS HA H 61 4.160 4.788 -0.628 1
1 642 . 18 1 1 A 61 61 LYS C C 61 174.200 175.383 -1.183 1
1 643 . 18 1 1 A 61 61 LYS CA C 61 54.800 53.961 0.839 1
1 644 . 18 1 1 A 61 61 LYS CB C 61 36.600 35.280 1.320 1
1 648 . 18 1 1 A 61 61 LYS N N 61 123.800 125.843 -2.043 1
1 649 . 18 1 1 A 62 62 GLY H H 62 8.140 8.463 -0.323 1
1 650 . 18 1 1 A 62 62 GLY HA2 H 62 4.160 3.032 1.128 1
1 651 . 18 1 1 A 62 62 GLY HA3 H 62 4.160 3.793 0.367 1
1 652 . 18 1 1 A 62 62 GLY C C 62 172.000 171.984 0.016 1
1 653 . 18 1 1 A 62 62 GLY CA C 62 43.000 44.105 -1.105 1
1 654 . 18 1 1 A 62 62 GLY N N 62 114.000 112.541 1.459 1
1 655 . 18 1 1 A 63 63 PHE H H 63 8.500 8.590 -0.090 1
1 656 . 18 1 1 A 63 63 PHE HA H 63 4.800 4.957 -0.157 1
1 664 . 18 1 1 A 63 63 PHE C C 63 175.400 174.811 0.589 1
1 665 . 18 1 1 A 63 63 PHE CA C 63 55.800 56.444 -0.644 1
1 666 . 18 1 1 A 63 63 PHE CB C 63 46.200 43.388 2.812 1
1 670 . 18 1 1 A 63 63 PHE N N 63 118.600 121.432 -2.832 1
1 671 . 18 1 1 A 64 64 PHE H H 64 9.930 8.903 1.027 1
1 672 . 18 1 1 A 64 64 PHE HA H 64 5.460 5.230 0.230 1
1 679 . 18 1 1 A 64 64 PHE C C 64 175.600 175.210 0.390 1
1 680 . 18 1 1 A 64 64 PHE CA C 64 57.500 57.542 -0.042 1
1 681 . 18 1 1 A 64 64 PHE CB C 64 43.100 41.940 1.160 1
1 684 . 18 1 1 A 64 64 PHE N N 64 120.100 119.309 0.791 1
1 685 . 18 1 1 A 65 65 ASP H H 65 10.950 9.131 1.819 1
1 686 . 18 1 1 A 65 65 ASP HA H 65 4.860 4.741 0.119 1
1 689 . 18 1 1 A 65 65 ASP C C 65 177.400 175.528 1.872 1
1 690 . 18 1 1 A 65 65 ASP CA C 65 56.400 54.798 1.602 1
1 691 . 18 1 1 A 65 65 ASP CB C 65 42.800 40.885 1.915 1
1 692 . 18 1 1 A 65 65 ASP N N 65 123.200 120.699 2.501 1
1 693 . 18 1 1 A 66 66 ASP H H 66 8.470 8.755 -0.285 1
1 694 . 18 1 1 A 66 66 ASP HA H 66 4.110 4.773 -0.663 1
1 697 . 18 1 1 A 66 66 ASP C C 66 175.300 176.588 -1.288 1
1 698 . 18 1 1 A 66 66 ASP CA C 66 57.800 56.088 1.712 1
1 699 . 18 1 1 A 66 66 ASP CB C 66 42.000 42.101 -0.101 1
1 700 . 18 1 1 A 66 66 ASP N N 66 122.800 123.628 -0.828 1
1 701 . 18 1 1 A 67 67 GLN H H 67 8.500 7.605 0.895 1
1 702 . 18 1 1 A 67 67 GLN HA H 67 4.250 4.578 -0.328 1
1 707 . 18 1 1 A 67 67 GLN C C 67 175.900 175.631 0.269 1
1 708 . 18 1 1 A 67 67 GLN CA C 67 55.400 54.481 0.919 1
1 709 . 18 1 1 A 67 67 GLN CB C 67 28.300 28.663 -0.363 1
1 711 . 18 1 1 A 68 68 ASN H H 68 7.880 8.687 -0.807 1
1 712 . 18 1 1 A 68 68 ASN HA H 68 4.430 4.777 -0.347 1
1 714 . 18 1 1 A 68 68 ASN CA C 68 53.300 53.194 0.106 1
1 715 . 18 1 1 A 68 68 ASN CB C 68 39.300 38.847 0.453 1
1 716 . 18 1 1 A 68 68 ASN N N 68 121.500 120.587 0.913 1
1 722 . 18 1 1 A 73 73 PHE HA H 73 4.190 4.633 -0.443 1
1 730 . 18 1 1 A 73 73 PHE CA C 73 61.300 56.324 4.976 1
1 731 . 18 1 1 A 73 73 PHE CB C 73 38.600 37.604 0.996 1
1 735 . 18 1 1 A 74 74 GLU HA H 74 4.290 4.140 0.150 1
1 738 . 18 1 1 A 74 74 GLU CA C 74 56.800 59.095 -2.295 1
1 739 . 18 1 1 A 74 74 GLU CB C 74 29.900 29.109 0.791 1
1 741 . 18 1 1 A 75 75 THR HA H 75 4.180 4.752 -0.572 1
1 746 . 18 1 1 A 75 75 THR C C 75 174.100 174.028 0.072 1
1 747 . 18 1 1 A 75 75 THR CA C 75 60.700 60.783 -0.083 1
1 748 . 18 1 1 A 75 75 THR CB C 75 69.800 70.230 -0.430 1
1 750 . 18 1 1 A 76 76 LYS HA H 76 3.880 4.986 -1.106 1
1 759 . 18 1 1 A 76 76 LYS CA C 76 55.900 54.999 0.901 1
1 760 . 18 1 1 A 76 76 LYS CB C 76 32.100 35.543 -3.443 1
1 764 . 18 1 1 A 77 77 ILE H H 77 9.060 8.864 0.196 1
1 765 . 18 1 1 A 77 77 ILE HA H 77 3.850 4.578 -0.728 1
1 775 . 18 1 1 A 77 77 ILE C C 77 175.900 175.769 0.131 1
1 776 . 18 1 1 A 77 77 ILE CA C 77 59.600 59.853 -0.253 1
1 777 . 18 1 1 A 77 77 ILE CB C 77 38.400 40.269 -1.869 1
1 781 . 18 1 1 A 77 77 ILE N N 77 126.900 125.365 1.535 1
1 782 . 18 1 1 A 78 78 SER H H 78 8.730 9.005 -0.275 1
1 783 . 18 1 1 A 78 78 SER HA H 78 4.140 4.163 -0.023 1
1 786 . 18 1 1 A 78 78 SER C C 78 176.200 176.387 -0.187 1
1 787 . 18 1 1 A 78 78 SER CA C 78 60.800 61.475 -0.675 1
1 788 . 18 1 1 A 78 78 SER CB C 78 61.200 62.737 -1.537 1
1 789 . 18 1 1 A 78 78 SER N N 78 119.000 122.938 -3.938 1
1 790 . 18 1 1 A 79 79 THR H H 79 8.050 7.778 0.272 1
1 791 . 18 1 1 A 79 79 THR HA H 79 4.580 3.985 0.595 1
1 796 . 18 1 1 A 79 79 THR C C 79 174.400 176.195 -1.795 1
1 797 . 18 1 1 A 79 79 THR CA C 79 62.200 65.469 -3.269 1
1 798 . 18 1 1 A 79 79 THR CB C 79 69.300 68.751 0.549 1
1 800 . 18 1 1 A 79 79 THR N N 79 114.300 115.373 -1.073 1
1 801 . 18 1 1 A 80 80 LEU H H 80 7.470 7.927 -0.457 1
1 802 . 18 1 1 A 80 80 LEU HA H 80 3.580 3.478 0.102 1
1 812 . 18 1 1 A 80 80 LEU C C 80 176.500 178.160 -1.660 1
1 813 . 18 1 1 A 80 80 LEU CA C 80 58.400 58.033 0.367 1
1 814 . 18 1 1 A 80 80 LEU CB C 80 41.800 41.331 0.469 1
1 818 . 18 1 1 A 80 80 LEU N N 80 123.200 121.968 1.232 1
1 819 . 18 1 1 A 81 81 ASP H H 81 8.450 8.059 0.391 1
1 820 . 18 1 1 A 81 81 ASP HA H 81 4.060 4.111 -0.051 1
1 823 . 18 1 1 A 81 81 ASP C C 81 178.700 178.577 0.123 1
1 824 . 18 1 1 A 81 81 ASP CA C 81 57.600 57.929 -0.329 1
1 825 . 18 1 1 A 81 81 ASP CB C 81 39.500 41.692 -2.192 1
1 826 . 18 1 1 A 81 81 ASP N N 81 116.000 119.159 -3.159 1
1 827 . 18 1 1 A 82 82 GLU H H 82 7.800 8.288 -0.488 1
1 828 . 18 1 1 A 82 82 GLU HA H 82 4.030 4.029 0.001 1
1 833 . 18 1 1 A 82 82 GLU C C 82 178.500 178.094 0.406 1
1 834 . 18 1 1 A 82 82 GLU CA C 82 59.100 59.517 -0.417 1
1 835 . 18 1 1 A 82 82 GLU CB C 82 29.300 29.491 -0.191 1
1 837 . 18 1 1 A 82 82 GLU N N 82 120.400 118.036 2.364 1
1 838 . 18 1 1 A 83 83 TYR H H 83 8.190 8.115 0.075 1
1 839 . 18 1 1 A 83 83 TYR HA H 83 4.410 4.294 0.116 1
1 846 . 18 1 1 A 83 83 TYR C C 83 176.700 177.246 -0.546 1
1 847 . 18 1 1 A 83 83 TYR CA C 83 60.900 61.459 -0.559 1
1 848 . 18 1 1 A 83 83 TYR CB C 83 37.600 38.478 -0.878 1
1 851 . 18 1 1 A 83 83 TYR N N 83 122.900 121.843 1.057 1
1 852 . 18 1 1 A 84 84 ILE H H 84 8.400 8.697 -0.297 1
1 853 . 18 1 1 A 84 84 ILE HA H 84 3.240 3.573 -0.333 1
1 863 . 18 1 1 A 84 84 ILE C C 84 178.000 177.924 0.076 1
1 864 . 18 1 1 A 84 84 ILE CA C 84 60.800 65.119 -4.319 1
1 865 . 18 1 1 A 84 84 ILE CB C 84 35.500 37.498 -1.998 1
1 869 . 18 1 1 A 84 84 ILE N N 84 119.100 120.416 -1.316 1
1 870 . 18 1 1 A 85 85 TYR H H 85 7.820 8.113 -0.293 1
1 871 . 18 1 1 A 85 85 TYR HA H 85 3.910 4.008 -0.098 1
1 878 . 18 1 1 A 85 85 TYR C C 85 176.800 177.519 -0.719 1
1 879 . 18 1 1 A 85 85 TYR CA C 85 60.700 61.218 -0.518 1
1 880 . 18 1 1 A 85 85 TYR CB C 85 37.900 38.946 -1.046 1
1 883 . 18 1 1 A 85 85 TYR N N 85 119.100 121.722 -2.622 1
1 884 . 18 1 1 A 86 86 GLU H H 86 7.660 8.008 -0.348 1
1 885 . 18 1 1 A 86 86 GLU HA H 86 3.690 4.047 -0.357 1
1 890 . 18 1 1 A 86 86 GLU C C 86 177.900 176.701 1.199 1
1 891 . 18 1 1 A 86 86 GLU CA C 86 58.200 58.278 -0.078 1
1 892 . 18 1 1 A 86 86 GLU CB C 86 29.500 29.527 -0.027 1
1 894 . 18 1 1 A 86 86 GLU N N 86 116.700 118.482 -1.782 1
1 895 . 18 1 1 A 87 87 TYR H H 87 8.010 7.810 0.200 1
1 896 . 18 1 1 A 87 87 TYR HA H 87 4.090 4.373 -0.283 1
1 903 . 18 1 1 A 87 87 TYR C C 87 176.000 175.801 0.199 1
1 904 . 18 1 1 A 87 87 TYR CA C 87 60.100 59.441 0.659 1
1 905 . 18 1 1 A 87 87 TYR CB C 87 37.300 39.527 -2.227 1
1 908 . 18 1 1 A 87 87 TYR N N 87 114.900 114.286 0.614 1
1 909 . 18 1 1 A 88 88 CYS H H 88 8.300 7.891 0.409 1
1 910 . 18 1 1 A 88 88 CYS HA H 88 4.760 4.896 -0.136 1
1 913 . 18 1 1 A 88 88 CYS CA C 88 53.500 54.909 -1.409 1
1 914 . 18 1 1 A 88 88 CYS CB C 88 42.000 42.577 -0.577 1
1 915 . 18 1 1 A 88 88 CYS N N 88 119.700 117.053 2.647 1
1 916 . 18 1 1 A 89 89 ASN C C 89 176.500 176.608 -0.108 1
1 917 . 18 1 1 A 90 90 PHE HA H 90 4.590 4.935 -0.345 1
1 925 . 18 1 1 A 90 90 PHE CA C 90 57.400 59.280 -1.880 1
1 926 . 18 1 1 A 90 90 PHE CB C 90 38.200 40.305 -2.105 1
1 930 . 18 1 1 A 92 92 CYS HA H 92 4.660 5.352 -0.692 1
1 933 . 18 1 1 A 92 92 CYS C C 92 172.000 171.819 0.181 1
1 934 . 18 1 1 A 92 92 CYS CA C 92 55.000 55.986 -0.986 1
1 935 . 18 1 1 A 92 92 CYS CB C 92 47.400 47.239 0.161 1
1 936 . 18 1 1 A 93 93 ALA H H 93 8.670 8.947 -0.277 1
1 937 . 18 1 1 A 93 93 ALA HA H 93 4.520 5.483 -0.963 1
1 941 . 18 1 1 A 93 93 ALA C C 93 177.400 175.762 1.638 1
1 942 . 18 1 1 A 93 93 ALA CA C 93 52.400 51.561 0.839 1
1 943 . 18 1 1 A 93 93 ALA CB C 93 19.800 23.740 -3.940 1
1 944 . 18 1 1 A 93 93 ALA N N 93 126.000 124.363 1.637 1
1 945 . 18 1 1 A 94 94 TYR H H 94 8.460 8.577 -0.117 1
1 946 . 18 1 1 A 94 94 TYR HA H 94 5.570 5.656 -0.086 1
1 953 . 18 1 1 A 94 94 TYR C C 94 171.500 173.675 -2.175 1
1 954 . 18 1 1 A 94 94 TYR CA C 94 57.200 56.384 0.816 1
1 955 . 18 1 1 A 94 94 TYR CB C 94 39.800 40.688 -0.888 1
1 958 . 18 1 1 A 94 94 TYR N N 94 116.200 116.419 -0.219 1
1 959 . 18 1 1 A 95 95 PHE H H 95 9.220 8.729 0.491 1
1 960 . 18 1 1 A 95 95 PHE HA H 95 5.280 5.687 -0.407 1
1 967 . 18 1 1 A 95 95 PHE C C 95 172.900 172.839 0.061 1
1 968 . 18 1 1 A 95 95 PHE CA C 95 55.200 55.885 -0.685 1
1 969 . 18 1 1 A 95 95 PHE CB C 95 42.400 42.934 -0.534 1
1 972 . 18 1 1 A 95 95 PHE N N 95 114.100 116.823 -2.723 1
1 973 . 18 1 1 A 96 96 VAL H H 96 9.130 9.151 -0.021 1
1 974 . 18 1 1 A 96 96 VAL HA H 96 4.860 5.093 -0.233 1
1 982 . 18 1 1 A 96 96 VAL C C 96 174.800 174.600 0.200 1
1 983 . 18 1 1 A 96 96 VAL CA C 96 61.400 61.405 -0.005 1
1 984 . 18 1 1 A 96 96 VAL CB C 96 35.100 34.380 0.720 1
1 987 . 18 1 1 A 96 96 VAL N N 96 118.400 121.447 -3.047 1
1 988 . 18 1 1 A 97 97 LEU H H 97 9.610 9.651 -0.041 1
1 989 . 18 1 1 A 97 97 LEU HA H 97 5.380 5.433 -0.053 1
1 999 . 18 1 1 A 97 97 LEU C C 97 175.700 175.422 0.278 1
1 1000 . 18 1 1 A 97 97 LEU CA C 97 52.100 53.272 -1.172 1
1 1001 . 18 1 1 A 97 97 LEU CB C 97 44.500 44.925 -0.425 1
1 1005 . 18 1 1 A 97 97 LEU N N 97 126.100 127.216 -1.116 1
1 1006 . 18 1 1 A 98 98 LYS H H 98 9.660 8.945 0.715 1
1 1007 . 18 1 1 A 98 98 LYS HA H 98 4.740 4.818 -0.078 1
1 1016 . 18 1 1 A 98 98 LYS C C 98 175.500 175.301 0.199 1
1 1017 . 18 1 1 A 98 98 LYS CA C 98 54.400 54.590 -0.190 1
1 1018 . 18 1 1 A 98 98 LYS CB C 98 37.500 34.756 2.744 1
1 1022 . 18 1 1 A 98 98 LYS N N 98 123.900 124.605 -0.705 1
1 1023 . 18 1 1 A 99 99 ARG H H 99 8.400 8.653 -0.253 1
1 1024 . 18 1 1 A 99 99 ARG HA H 99 4.040 4.137 -0.097 1
1 1031 . 18 1 1 A 99 99 ARG C C 99 174.800 175.391 -0.591 1
1 1032 . 18 1 1 A 99 99 ARG CA C 99 55.500 55.832 -0.332 1
1 1033 . 18 1 1 A 99 99 ARG CB C 99 30.000 30.675 -0.675 1
1 1036 . 18 1 1 A 99 99 ARG N N 99 128.700 128.476 0.224 1
1 1037 . 18 1 1 A 100 100 ILE H H 100 8.660 8.745 -0.085 1
1 1038 . 18 1 1 A 100 100 ILE HA H 100 4.150 4.565 -0.415 1
1 1048 . 18 1 1 A 100 100 ILE CA C 100 59.100 59.797 -0.697 1
1 1049 . 18 1 1 A 100 100 ILE CB C 100 36.300 39.824 -3.524 1
1 1053 . 18 1 1 A 100 100 ILE N N 100 130.500 126.316 4.184 1
1 1054 . 18 1 1 A 101 101 ARG C C 101 177.000 174.965 2.035 1
1 1055 . 18 1 1 A 102 102 LYS C C 102 178.900 174.876 4.024 1
1 1056 . 18 1 1 A 103 103 LEU HA H 103 4.230 4.799 -0.569 1
1 1066 . 18 1 1 A 103 103 LEU CA C 103 54.900 54.141 0.759 1
1 1067 . 18 1 1 A 103 103 LEU CB C 103 42.100 44.683 -2.583 1
1 1071 . 18 1 1 A 104 104 GLU HA H 104 4.010 4.261 -0.251 1
1 1075 . 18 1 1 A 104 104 GLU CA C 104 58.300 57.628 0.672 1
1 1076 . 18 1 1 A 104 104 GLU CB C 104 28.300 29.475 -1.175 1
1 1 . 19 1 1 A 10 10 GLU HA H 10 4.230 4.601 -0.371 1
1 6 . 19 1 1 A 10 10 GLU C C 10 176.100 175.322 0.778 1
1 7 . 19 1 1 A 10 10 GLU CA C 10 56.800 57.588 -0.788 1
1 8 . 19 1 1 A 10 10 GLU CB C 10 30.400 31.199 -0.799 1
1 10 . 19 1 1 A 11 11 ILE H H 11 8.270 8.221 0.049 1
1 11 . 19 1 1 A 11 11 ILE HA H 11 4.100 4.190 -0.090 1
1 21 . 19 1 1 A 11 11 ILE C C 11 173.900 174.752 -0.852 1
1 22 . 19 1 1 A 11 11 ILE CA C 11 60.900 60.926 -0.026 1
1 23 . 19 1 1 A 11 11 ILE CB C 11 38.300 37.399 0.901 1
1 27 . 19 1 1 A 11 11 ILE N N 11 121.800 120.138 1.662 1
1 28 . 19 1 1 A 12 12 MET H H 12 8.150 8.676 -0.526 1
1 29 . 19 1 1 A 12 12 MET HA H 12 5.250 5.173 0.077 1
1 37 . 19 1 1 A 12 12 MET C C 12 175.500 175.575 -0.075 1
1 38 . 19 1 1 A 12 12 MET CA C 12 53.100 53.741 -0.641 1
1 39 . 19 1 1 A 12 12 MET CB C 12 33.600 34.344 -0.744 1
1 42 . 19 1 1 A 12 12 MET N N 12 125.200 125.755 -0.555 1
1 43 . 19 1 1 A 13 13 ILE H H 13 9.200 9.450 -0.250 1
1 44 . 19 1 1 A 13 13 ILE HA H 13 4.400 4.756 -0.356 1
1 54 . 19 1 1 A 13 13 ILE C C 13 173.500 174.561 -1.061 1
1 55 . 19 1 1 A 13 13 ILE CA C 13 59.600 60.717 -1.117 1
1 56 . 19 1 1 A 13 13 ILE CB C 13 40.500 39.522 0.978 1
1 60 . 19 1 1 A 13 13 ILE N N 13 123.700 123.911 -0.211 1
1 61 . 19 1 1 A 14 14 LEU H H 14 8.550 9.236 -0.686 1
1 62 . 19 1 1 A 14 14 LEU HA H 14 5.200 5.683 -0.483 1
1 72 . 19 1 1 A 14 14 LEU C C 14 176.100 176.010 0.090 1
1 73 . 19 1 1 A 14 14 LEU CA C 14 53.700 53.233 0.467 1
1 74 . 19 1 1 A 14 14 LEU CB C 14 43.700 43.126 0.574 1
1 78 . 19 1 1 A 14 14 LEU N N 14 128.800 127.950 0.850 1
1 79 . 19 1 1 A 15 15 ILE H H 15 8.780 8.728 0.052 1
1 80 . 19 1 1 A 15 15 ILE HA H 15 4.350 4.543 -0.193 1
1 90 . 19 1 1 A 15 15 ILE CA C 15 58.700 60.434 -1.734 1
1 91 . 19 1 1 A 15 15 ILE CB C 15 39.800 41.131 -1.331 1
1 95 . 19 1 1 A 15 15 ILE N N 15 123.000 123.916 -0.916 1
1 96 . 19 1 1 A 16 16 GLN HA H 16 3.710 4.086 -0.376 1
1 100 . 19 1 1 A 16 16 GLN CA C 16 57.700 57.452 0.248 1
1 101 . 19 1 1 A 16 16 GLN CB C 16 26.500 27.105 -0.605 1
1 103 . 19 1 1 A 17 17 ASN HA H 17 4.460 4.351 0.109 1
1 108 . 19 1 1 A 17 17 ASN C C 17 173.300 173.778 -0.478 1
1 109 . 19 1 1 A 17 17 ASN CA C 17 53.900 54.631 -0.731 1
1 110 . 19 1 1 A 17 17 ASN CB C 17 38.100 36.949 1.151 1
1 112 . 19 1 1 A 18 18 ALA H H 18 8.450 8.089 0.361 1
1 113 . 19 1 1 A 18 18 ALA HA H 18 4.250 4.681 -0.431 1
1 117 . 19 1 1 A 18 18 ALA C C 18 174.000 175.323 -1.323 1
1 118 . 19 1 1 A 18 18 ALA CA C 18 51.600 50.133 1.467 1
1 119 . 19 1 1 A 18 18 ALA CB C 18 20.500 22.138 -1.638 1
1 120 . 19 1 1 A 18 18 ALA N N 18 125.200 120.327 4.873 1
1 121 . 19 1 1 A 19 19 GLU H H 19 7.930 8.479 -0.549 1
1 122 . 19 1 1 A 19 19 GLU HA H 19 5.000 4.781 0.219 1
1 127 . 19 1 1 A 19 19 GLU C C 19 174.500 174.951 -0.451 1
1 128 . 19 1 1 A 19 19 GLU CA C 19 54.400 54.550 -0.150 1
1 129 . 19 1 1 A 19 19 GLU CB C 19 32.500 31.626 0.874 1
1 131 . 19 1 1 A 19 19 GLU N N 19 121.700 121.051 0.649 1
1 132 . 19 1 1 A 20 20 PHE H H 20 9.110 8.872 0.238 1
1 133 . 19 1 1 A 20 20 PHE HA H 20 5.340 5.603 -0.263 1
1 141 . 19 1 1 A 20 20 PHE C C 20 173.900 174.306 -0.406 1
1 142 . 19 1 1 A 20 20 PHE CA C 20 55.800 56.549 -0.749 1
1 143 . 19 1 1 A 20 20 PHE CB C 20 44.800 43.919 0.881 1
1 147 . 19 1 1 A 20 20 PHE N N 20 120.100 125.144 -5.044 1
1 148 . 19 1 1 A 21 21 GLU H H 21 9.200 8.838 0.362 1
1 149 . 19 1 1 A 21 21 GLU HA H 21 5.040 5.100 -0.060 1
1 154 . 19 1 1 A 21 21 GLU C C 21 176.200 174.402 1.798 1
1 155 . 19 1 1 A 21 21 GLU CA C 21 53.700 54.522 -0.822 1
1 156 . 19 1 1 A 21 21 GLU CB C 21 33.600 33.676 -0.076 1
1 158 . 19 1 1 A 21 21 GLU N N 21 120.800 118.793 2.007 1
1 159 . 19 1 1 A 22 22 LEU H H 22 8.590 8.536 0.054 1
1 160 . 19 1 1 A 22 22 LEU HA H 22 4.420 4.448 -0.028 1
1 170 . 19 1 1 A 22 22 LEU C C 22 175.200 177.069 -1.869 1
1 171 . 19 1 1 A 22 22 LEU CA C 22 54.900 54.165 0.735 1
1 172 . 19 1 1 A 22 22 LEU CB C 22 41.000 41.851 -0.851 1
1 176 . 19 1 1 A 22 22 LEU N N 22 127.900 123.612 4.288 1
1 177 . 19 1 1 A 23 23 VAL H H 23 8.350 8.703 -0.353 1
1 178 . 19 1 1 A 23 23 VAL HA H 23 4.460 4.329 0.131 1
1 186 . 19 1 1 A 23 23 VAL C C 23 175.500 175.756 -0.256 1
1 187 . 19 1 1 A 23 23 VAL CA C 23 62.100 62.831 -0.731 1
1 188 . 19 1 1 A 23 23 VAL CB C 23 32.600 32.695 -0.095 1
1 191 . 19 1 1 A 23 23 VAL N N 23 122.700 122.041 0.659 1
1 192 . 19 1 1 A 24 24 HIS H H 24 7.590 7.315 0.275 1
1 193 . 19 1 1 A 24 24 HIS HA H 24 4.750 4.812 -0.062 1
1 197 . 19 1 1 A 24 24 HIS CA C 24 56.800 56.170 0.630 1
1 198 . 19 1 1 A 24 24 HIS CB C 24 34.800 32.943 1.857 1
1 200 . 19 1 1 A 24 24 HIS N N 24 118.300 120.860 -2.560 1
1 201 . 19 1 1 A 25 25 ASN HA H 25 5.070 5.557 -0.487 1
1 206 . 19 1 1 A 25 25 ASN C C 25 172.500 173.538 -1.038 1
1 207 . 19 1 1 A 25 25 ASN CA C 25 52.000 52.354 -0.354 1
1 208 . 19 1 1 A 25 25 ASN CB C 25 40.400 42.291 -1.891 1
1 210 . 19 1 1 A 26 26 PHE H H 26 9.000 9.004 -0.004 1
1 211 . 19 1 1 A 26 26 PHE HA H 26 4.540 4.903 -0.363 1
1 219 . 19 1 1 A 26 26 PHE C C 26 174.500 175.095 -0.595 1
1 220 . 19 1 1 A 26 26 PHE CA C 26 57.100 57.271 -0.171 1
1 221 . 19 1 1 A 26 26 PHE CB C 26 40.900 42.079 -1.179 1
1 225 . 19 1 1 A 26 26 PHE N N 26 128.200 126.821 1.379 1
1 226 . 19 1 1 A 27 27 LYS H H 27 8.700 8.825 -0.125 1
1 227 . 19 1 1 A 27 27 LYS HA H 27 3.290 3.657 -0.367 1
1 236 . 19 1 1 A 27 27 LYS C C 27 174.500 175.031 -0.531 1
1 237 . 19 1 1 A 27 27 LYS CA C 27 56.800 56.984 -0.184 1
1 238 . 19 1 1 A 27 27 LYS CB C 27 29.500 31.123 -1.623 1
1 242 . 19 1 1 A 27 27 LYS N N 27 126.000 126.968 -0.968 1
1 243 . 19 1 1 A 28 28 ASP H H 28 8.560 8.450 0.110 1
1 244 . 19 1 1 A 28 28 ASP HA H 28 4.080 4.349 -0.269 1
1 247 . 19 1 1 A 28 28 ASP C C 28 174.700 176.923 -2.223 1
1 248 . 19 1 1 A 28 28 ASP CA C 28 54.800 55.621 -0.821 1
1 249 . 19 1 1 A 28 28 ASP CB C 28 39.100 38.983 0.117 1
1 250 . 19 1 1 A 28 28 ASP N N 28 112.300 112.859 -0.559 1
1 251 . 19 1 1 A 29 29 GLY H H 29 7.160 7.952 -0.792 1
1 252 . 19 1 1 A 29 29 GLY HA2 H 29 3.490 3.753 -0.263 1
1 253 . 19 1 1 A 29 29 GLY HA3 H 29 3.780 4.041 -0.261 1
1 254 . 19 1 1 A 29 29 GLY C C 29 174.800 174.587 0.213 1
1 255 . 19 1 1 A 29 29 GLY CA C 29 47.600 45.918 1.682 1
1 256 . 19 1 1 A 29 29 GLY N N 29 101.900 105.563 -3.663 1
1 257 . 19 1 1 A 30 30 PHE H H 30 9.400 7.728 1.672 1
1 258 . 19 1 1 A 30 30 PHE HA H 30 3.380 3.773 -0.393 1
1 266 . 19 1 1 A 30 30 PHE CA C 30 60.700 59.211 1.489 1
1 267 . 19 1 1 A 30 30 PHE CB C 30 37.700 39.706 -2.006 1
1 271 . 19 1 1 A 30 30 PHE N N 30 120.800 121.603 -0.803 1
1 272 . 19 1 1 A 31 31 ASN H H 31 5.090 7.854 -2.764 1
1 273 . 19 1 1 A 31 31 ASN HA H 31 4.220 4.413 -0.193 1
1 276 . 19 1 1 A 31 31 ASN CA C 31 52.400 52.535 -0.135 1
1 277 . 19 1 1 A 31 31 ASN CB C 31 41.100 40.486 0.614 1
1 278 . 19 1 1 A 31 31 ASN N N 31 125.400 124.257 1.143 1
1 279 . 19 1 1 A 32 32 GLU HA H 32 3.290 3.628 -0.338 1
1 284 . 19 1 1 A 32 32 GLU C C 32 176.900 177.918 -1.018 1
1 285 . 19 1 1 A 32 32 GLU CA C 32 60.600 59.748 0.852 1
1 286 . 19 1 1 A 32 32 GLU CB C 32 29.500 29.584 -0.084 1
1 288 . 19 1 1 A 33 33 GLU H H 33 8.320 8.059 0.261 1
1 289 . 19 1 1 A 33 33 GLU HA H 33 3.880 4.058 -0.178 1
1 294 . 19 1 1 A 33 33 GLU C C 33 179.300 178.824 0.476 1
1 295 . 19 1 1 A 33 33 GLU CA C 33 59.600 59.382 0.218 1
1 296 . 19 1 1 A 33 33 GLU CB C 33 28.700 29.422 -0.722 1
1 298 . 19 1 1 A 33 33 GLU N N 33 119.000 117.492 1.508 1
1 299 . 19 1 1 A 34 34 ALA H H 34 8.330 7.667 0.663 1
1 300 . 19 1 1 A 34 34 ALA HA H 34 4.130 4.111 0.019 1
1 304 . 19 1 1 A 34 34 ALA C C 34 179.600 179.910 -0.310 1
1 305 . 19 1 1 A 34 34 ALA CA C 34 54.400 54.885 -0.485 1
1 306 . 19 1 1 A 34 34 ALA CB C 34 18.400 18.324 0.076 1
1 307 . 19 1 1 A 34 34 ALA N N 34 122.200 121.976 0.224 1
1 308 . 19 1 1 A 35 35 PHE H H 35 8.040 7.843 0.197 1
1 309 . 19 1 1 A 35 35 PHE HA H 35 4.020 4.282 -0.262 1
1 317 . 19 1 1 A 35 35 PHE C C 35 176.100 177.725 -1.625 1
1 318 . 19 1 1 A 35 35 PHE CA C 35 61.000 61.089 -0.089 1
1 319 . 19 1 1 A 35 35 PHE CB C 35 39.000 39.211 -0.211 1
1 323 . 19 1 1 A 35 35 PHE N N 35 117.100 119.988 -2.888 1
1 324 . 19 1 1 A 36 36 LYS H H 36 8.490 8.452 0.038 1
1 325 . 19 1 1 A 36 36 LYS HA H 36 3.320 3.856 -0.536 1
1 334 . 19 1 1 A 36 36 LYS C C 36 178.000 178.417 -0.417 1
1 335 . 19 1 1 A 36 36 LYS CA C 36 59.800 58.414 1.386 1
1 336 . 19 1 1 A 36 36 LYS CB C 36 32.100 31.383 0.717 1
1 340 . 19 1 1 A 36 36 LYS N N 36 118.100 118.393 -0.293 1
1 341 . 19 1 1 A 37 37 ALA H H 37 7.450 7.870 -0.420 1
1 342 . 19 1 1 A 37 37 ALA HA H 37 4.130 4.132 -0.002 1
1 346 . 19 1 1 A 37 37 ALA C C 37 178.500 178.607 -0.107 1
1 347 . 19 1 1 A 37 37 ALA CA C 37 53.600 54.627 -1.027 1
1 348 . 19 1 1 A 37 37 ALA CB C 37 18.500 18.326 0.174 1
1 349 . 19 1 1 A 37 37 ALA N N 37 117.700 122.203 -4.503 1
1 350 . 19 1 1 A 38 38 ARG H H 38 7.160 7.109 0.051 1
1 351 . 19 1 1 A 38 38 ARG HA H 38 4.340 4.315 0.025 1
1 358 . 19 1 1 A 38 38 ARG C C 38 175.400 175.778 -0.378 1
1 359 . 19 1 1 A 38 38 ARG CA C 38 54.200 55.740 -1.540 1
1 360 . 19 1 1 A 38 38 ARG CB C 38 31.400 30.970 0.430 1
1 363 . 19 1 1 A 38 38 ARG N N 38 114.800 115.066 -0.266 1
1 364 . 19 1 1 A 39 39 TYR H H 39 7.510 7.308 0.202 1
1 365 . 19 1 1 A 39 39 TYR HA H 39 3.350 4.120 -0.770 1
1 372 . 19 1 1 A 39 39 TYR C C 39 173.700 174.562 -0.862 1
1 373 . 19 1 1 A 39 39 TYR CA C 39 60.800 59.550 1.250 1
1 374 . 19 1 1 A 39 39 TYR CB C 39 38.000 38.930 -0.930 1
1 377 . 19 1 1 A 39 39 TYR N N 39 122.600 122.847 -0.247 1
1 378 . 19 1 1 A 40 40 SER H H 40 5.730 8.082 -2.352 1
1 379 . 19 1 1 A 40 40 SER HA H 40 4.470 4.662 -0.192 1
1 382 . 19 1 1 A 40 40 SER CA C 40 56.100 57.075 -0.975 1
1 383 . 19 1 1 A 40 40 SER CB C 40 65.100 66.724 -1.624 1
1 384 . 19 1 1 A 40 40 SER N N 40 119.100 124.017 -4.917 1
1 385 . 19 1 1 A 41 41 ASP HA H 41 4.210 4.083 0.127 1
1 388 . 19 1 1 A 41 41 ASP CA C 41 56.700 57.315 -0.615 1
1 389 . 19 1 1 A 41 41 ASP CB C 41 40.500 40.519 -0.019 1
1 390 . 19 1 1 A 42 42 ILE HA H 42 4.030 3.835 0.195 1
1 400 . 19 1 1 A 42 42 ILE C C 42 176.600 177.893 -1.293 1
1 401 . 19 1 1 A 42 42 ILE CA C 42 63.200 63.178 0.022 1
1 402 . 19 1 1 A 42 42 ILE CB C 42 37.600 37.493 0.107 1
1 406 . 19 1 1 A 43 43 LEU H H 43 7.700 7.793 -0.093 1
1 407 . 19 1 1 A 43 43 LEU HA H 43 4.560 4.435 0.125 1
1 417 . 19 1 1 A 43 43 LEU C C 43 178.000 179.276 -1.276 1
1 418 . 19 1 1 A 43 43 LEU CA C 43 54.700 56.742 -2.042 1
1 419 . 19 1 1 A 43 43 LEU CB C 43 40.800 41.971 -1.171 1
1 423 . 19 1 1 A 43 43 LEU N N 43 117.500 120.547 -3.047 1
1 424 . 19 1 1 A 44 44 ASN H H 44 7.870 8.458 -0.588 1
1 425 . 19 1 1 A 44 44 ASN HA H 44 4.480 4.787 -0.307 1
1 428 . 19 1 1 A 44 44 ASN CA C 44 55.300 57.167 -1.867 1
1 429 . 19 1 1 A 44 44 ASN CB C 44 38.200 39.852 -1.652 1
1 430 . 19 1 1 A 44 44 ASN N N 44 118.400 118.386 0.014 1
1 431 . 19 1 1 A 45 45 LYS HA H 45 4.200 4.155 0.045 1
1 440 . 19 1 1 A 45 45 LYS C C 45 176.200 177.885 -1.685 1
1 441 . 19 1 1 A 45 45 LYS CA C 45 56.500 58.623 -2.123 1
1 442 . 19 1 1 A 45 45 LYS CB C 45 32.000 31.882 0.118 1
1 446 . 19 1 1 A 46 46 TYR H H 46 6.770 7.396 -0.626 1
1 447 . 19 1 1 A 46 46 TYR HA H 46 3.900 4.206 -0.306 1
1 454 . 19 1 1 A 46 46 TYR C C 46 175.500 175.332 0.168 1
1 455 . 19 1 1 A 46 46 TYR CA C 46 59.200 60.225 -1.025 1
1 456 . 19 1 1 A 46 46 TYR CB C 46 38.700 38.246 0.454 1
1 459 . 19 1 1 A 46 46 TYR N N 46 117.400 118.971 -1.571 1
1 460 . 19 1 1 A 47 47 ASP H H 47 7.540 7.994 -0.454 1
1 461 . 19 1 1 A 47 47 ASP HA H 47 4.880 4.478 0.402 1
1 464 . 19 1 1 A 47 47 ASP C C 47 175.100 174.356 0.744 1
1 465 . 19 1 1 A 47 47 ASP CA C 47 56.100 55.767 0.333 1
1 466 . 19 1 1 A 47 47 ASP CB C 47 43.100 39.679 3.421 1
1 467 . 19 1 1 A 47 47 ASP N N 47 118.300 117.241 1.059 1
1 468 . 19 1 1 A 48 48 TYR H H 48 8.640 8.119 0.521 1
1 469 . 19 1 1 A 48 48 TYR HA H 48 5.670 5.511 0.159 1
1 476 . 19 1 1 A 48 48 TYR C C 48 174.700 174.896 -0.196 1
1 477 . 19 1 1 A 48 48 TYR CA C 48 55.900 56.935 -1.035 1
1 478 . 19 1 1 A 48 48 TYR CB C 48 43.500 41.838 1.662 1
1 481 . 19 1 1 A 48 48 TYR N N 48 116.700 118.381 -1.681 1
1 482 . 19 1 1 A 49 49 ILE H H 49 9.130 9.338 -0.208 1
1 483 . 19 1 1 A 49 49 ILE HA H 49 4.660 4.853 -0.193 1
1 493 . 19 1 1 A 49 49 ILE C C 49 173.900 174.837 -0.937 1
1 494 . 19 1 1 A 49 49 ILE CA C 49 59.400 60.169 -0.769 1
1 495 . 19 1 1 A 49 49 ILE CB C 49 40.700 40.527 0.173 1
1 499 . 19 1 1 A 49 49 ILE N N 49 119.500 124.081 -4.581 1
1 500 . 19 1 1 A 50 50 VAL H H 50 9.220 9.264 -0.044 1
1 501 . 19 1 1 A 50 50 VAL HA H 50 4.860 4.889 -0.029 1
1 509 . 19 1 1 A 50 50 VAL C C 50 175.200 175.214 -0.014 1
1 510 . 19 1 1 A 50 50 VAL CA C 50 60.100 60.852 -0.752 1
1 511 . 19 1 1 A 50 50 VAL CB C 50 33.400 33.463 -0.063 1
1 514 . 19 1 1 A 50 50 VAL N N 50 128.600 129.108 -0.508 1
1 515 . 19 1 1 A 51 51 GLY H H 51 7.860 8.732 -0.872 1
1 516 . 19 1 1 A 51 51 GLY HA2 H 51 5.420 3.046 2.374 1
1 517 . 19 1 1 A 51 51 GLY HA3 H 51 2.080 3.800 -1.720 1
1 518 . 19 1 1 A 51 51 GLY C C 51 170.700 171.306 -0.606 1
1 519 . 19 1 1 A 51 51 GLY CA C 51 43.600 44.329 -0.729 1
1 520 . 19 1 1 A 51 51 GLY N N 51 116.100 114.999 1.101 1
1 521 . 19 1 1 A 52 52 ASP H H 52 8.940 8.478 0.462 1
1 522 . 19 1 1 A 52 52 ASP HA H 52 5.540 5.051 0.489 1
1 525 . 19 1 1 A 52 52 ASP C C 52 174.200 175.232 -1.032 1
1 526 . 19 1 1 A 52 52 ASP CA C 52 53.000 52.883 0.117 1
1 527 . 19 1 1 A 52 52 ASP CB C 52 47.100 42.060 5.040 1
1 528 . 19 1 1 A 52 52 ASP N N 52 121.200 123.924 -2.724 1
1 529 . 19 1 1 A 53 53 TRP H H 53 7.980 8.666 -0.686 1
1 530 . 19 1 1 A 53 53 TRP HA H 53 4.950 4.489 0.461 1
1 539 . 19 1 1 A 53 53 TRP C C 53 178.500 177.436 1.064 1
1 540 . 19 1 1 A 53 53 TRP CA C 53 56.200 60.325 -4.125 1
1 541 . 19 1 1 A 53 53 TRP CB C 53 28.500 30.179 -1.679 1
1 547 . 19 1 1 A 53 53 TRP N N 53 119.900 125.940 -6.040 1
1 549 . 19 1 1 A 54 54 GLY H H 54 10.320 8.425 1.895 1
1 550 . 19 1 1 A 54 54 GLY HA2 H 54 4.020 3.990 0.030 1
1 551 . 19 1 1 A 54 54 GLY HA3 H 54 4.020 3.998 0.022 1
1 552 . 19 1 1 A 54 54 GLY CA C 54 48.600 47.485 1.115 1
1 553 . 19 1 1 A 54 54 GLY N N 54 115.400 108.234 7.166 1
1 554 . 19 1 1 A 55 55 TYR HA H 55 4.890 4.631 0.259 1
1 561 . 19 1 1 A 55 55 TYR CA C 55 56.800 59.052 -2.252 1
1 562 . 19 1 1 A 55 55 TYR CB C 55 38.100 38.748 -0.648 1
1 565 . 19 1 1 A 56 56 GLY HA2 H 56 3.850 3.944 -0.094 1
1 566 . 19 1 1 A 56 56 GLY HA3 H 56 4.360 4.152 0.208 1
1 567 . 19 1 1 A 56 56 GLY C C 56 173.100 174.528 -1.428 1
1 568 . 19 1 1 A 56 56 GLY CA C 56 45.600 45.546 0.054 1
1 569 . 19 1 1 A 57 57 GLN H H 57 7.380 7.637 -0.257 1
1 570 . 19 1 1 A 57 57 GLN HA H 57 4.660 4.484 0.176 1
1 576 . 19 1 1 A 57 57 GLN C C 57 173.800 175.256 -1.456 1
1 577 . 19 1 1 A 57 57 GLN CA C 57 53.400 54.196 -0.796 1
1 578 . 19 1 1 A 57 57 GLN CB C 57 31.600 27.830 3.770 1
1 580 . 19 1 1 A 57 57 GLN N N 57 116.300 120.327 -4.027 1
1 582 . 19 1 1 A 58 58 LEU H H 58 8.100 8.629 -0.529 1
1 583 . 19 1 1 A 58 58 LEU HA H 58 3.250 4.589 -1.339 1
1 593 . 19 1 1 A 58 58 LEU C C 58 174.200 175.014 -0.814 1
1 594 . 19 1 1 A 58 58 LEU CA C 58 55.500 55.620 -0.120 1
1 595 . 19 1 1 A 58 58 LEU CB C 58 39.900 41.418 -1.518 1
1 599 . 19 1 1 A 58 58 LEU N N 58 124.400 128.211 -3.811 1
1 600 . 19 1 1 A 59 59 ARG H H 59 8.360 8.442 -0.082 1
1 601 . 19 1 1 A 59 59 ARG HA H 59 4.470 5.050 -0.580 1
1 608 . 19 1 1 A 59 59 ARG C C 59 174.000 174.508 -0.508 1
1 609 . 19 1 1 A 59 59 ARG CA C 59 54.200 54.157 0.043 1
1 610 . 19 1 1 A 59 59 ARG CB C 59 33.000 34.132 -1.132 1
1 613 . 19 1 1 A 59 59 ARG N N 59 130.500 125.748 4.752 1
1 614 . 19 1 1 A 60 60 LEU H H 60 8.480 9.023 -0.543 1
1 615 . 19 1 1 A 60 60 LEU HA H 60 5.260 5.017 0.243 1
1 625 . 19 1 1 A 60 60 LEU C C 60 176.000 174.974 1.026 1
1 626 . 19 1 1 A 60 60 LEU CA C 60 52.500 53.671 -1.171 1
1 627 . 19 1 1 A 60 60 LEU CB C 60 44.200 42.839 1.361 1
1 631 . 19 1 1 A 60 60 LEU N N 60 122.400 122.793 -0.393 1
1 632 . 19 1 1 A 61 61 LYS H H 61 8.900 9.221 -0.321 1
1 633 . 19 1 1 A 61 61 LYS HA H 61 4.160 4.667 -0.507 1
1 642 . 19 1 1 A 61 61 LYS C C 61 174.200 175.470 -1.270 1
1 643 . 19 1 1 A 61 61 LYS CA C 61 54.800 54.270 0.530 1
1 644 . 19 1 1 A 61 61 LYS CB C 61 36.600 34.245 2.355 1
1 648 . 19 1 1 A 61 61 LYS N N 61 123.800 125.368 -1.568 1
1 649 . 19 1 1 A 62 62 GLY H H 62 8.140 8.361 -0.221 1
1 650 . 19 1 1 A 62 62 GLY HA2 H 62 4.160 2.853 1.307 1
1 651 . 19 1 1 A 62 62 GLY HA3 H 62 4.160 3.729 0.431 1
1 652 . 19 1 1 A 62 62 GLY C C 62 172.000 172.281 -0.281 1
1 653 . 19 1 1 A 62 62 GLY CA C 62 43.000 43.892 -0.892 1
1 654 . 19 1 1 A 62 62 GLY N N 62 114.000 112.228 1.772 1
1 655 . 19 1 1 A 63 63 PHE H H 63 8.500 8.713 -0.213 1
1 656 . 19 1 1 A 63 63 PHE HA H 63 4.800 4.971 -0.171 1
1 664 . 19 1 1 A 63 63 PHE C C 63 175.400 174.388 1.012 1
1 665 . 19 1 1 A 63 63 PHE CA C 63 55.800 55.847 -0.047 1
1 666 . 19 1 1 A 63 63 PHE CB C 63 46.200 43.655 2.545 1
1 670 . 19 1 1 A 63 63 PHE N N 63 118.600 121.699 -3.099 1
1 671 . 19 1 1 A 64 64 PHE H H 64 9.930 8.918 1.012 1
1 672 . 19 1 1 A 64 64 PHE HA H 64 5.460 5.232 0.228 1
1 679 . 19 1 1 A 64 64 PHE C C 64 175.600 174.952 0.648 1
1 680 . 19 1 1 A 64 64 PHE CA C 64 57.500 57.098 0.402 1
1 681 . 19 1 1 A 64 64 PHE CB C 64 43.100 43.209 -0.109 1
1 684 . 19 1 1 A 64 64 PHE N N 64 120.100 118.713 1.387 1
1 685 . 19 1 1 A 65 65 ASP H H 65 10.950 8.873 2.077 1
1 686 . 19 1 1 A 65 65 ASP HA H 65 4.860 4.229 0.631 1
1 689 . 19 1 1 A 65 65 ASP C C 65 177.400 175.440 1.960 1
1 690 . 19 1 1 A 65 65 ASP CA C 65 56.400 54.549 1.851 1
1 691 . 19 1 1 A 65 65 ASP CB C 65 42.800 41.492 1.308 1
1 692 . 19 1 1 A 65 65 ASP N N 65 123.200 121.068 2.132 1
1 693 . 19 1 1 A 66 66 ASP H H 66 8.470 8.857 -0.387 1
1 694 . 19 1 1 A 66 66 ASP HA H 66 4.110 4.609 -0.499 1
1 697 . 19 1 1 A 66 66 ASP C C 66 175.300 176.201 -0.901 1
1 698 . 19 1 1 A 66 66 ASP CA C 66 57.800 56.103 1.697 1
1 699 . 19 1 1 A 66 66 ASP CB C 66 42.000 41.151 0.849 1
1 700 . 19 1 1 A 66 66 ASP N N 66 122.800 127.983 -5.183 1
1 701 . 19 1 1 A 67 67 GLN H H 67 8.500 7.851 0.649 1
1 702 . 19 1 1 A 67 67 GLN HA H 67 4.250 4.575 -0.325 1
1 707 . 19 1 1 A 67 67 GLN C C 67 175.900 175.736 0.164 1
1 708 . 19 1 1 A 67 67 GLN CA C 67 55.400 54.369 1.031 1
1 709 . 19 1 1 A 67 67 GLN CB C 67 28.300 26.738 1.562 1
1 711 . 19 1 1 A 68 68 ASN H H 68 7.880 8.634 -0.754 1
1 712 . 19 1 1 A 68 68 ASN HA H 68 4.430 4.758 -0.328 1
1 714 . 19 1 1 A 68 68 ASN CA C 68 53.300 54.407 -1.107 1
1 715 . 19 1 1 A 68 68 ASN CB C 68 39.300 39.759 -0.459 1
1 716 . 19 1 1 A 68 68 ASN N N 68 121.500 123.482 -1.982 1
1 722 . 19 1 1 A 73 73 PHE HA H 73 4.190 4.751 -0.561 1
1 730 . 19 1 1 A 73 73 PHE CA C 73 61.300 58.171 3.129 1
1 731 . 19 1 1 A 73 73 PHE CB C 73 38.600 41.475 -2.875 1
1 735 . 19 1 1 A 74 74 GLU HA H 74 4.290 3.967 0.323 1
1 738 . 19 1 1 A 74 74 GLU CA C 74 56.800 58.412 -1.612 1
1 739 . 19 1 1 A 74 74 GLU CB C 74 29.900 28.775 1.125 1
1 741 . 19 1 1 A 75 75 THR HA H 75 4.180 4.841 -0.661 1
1 746 . 19 1 1 A 75 75 THR C C 75 174.100 172.388 1.712 1
1 747 . 19 1 1 A 75 75 THR CA C 75 60.700 61.179 -0.479 1
1 748 . 19 1 1 A 75 75 THR CB C 75 69.800 71.184 -1.384 1
1 750 . 19 1 1 A 76 76 LYS HA H 76 3.880 4.893 -1.013 1
1 759 . 19 1 1 A 76 76 LYS CA C 76 55.900 55.993 -0.093 1
1 760 . 19 1 1 A 76 76 LYS CB C 76 32.100 36.968 -4.868 1
1 764 . 19 1 1 A 77 77 ILE H H 77 9.060 8.803 0.257 1
1 765 . 19 1 1 A 77 77 ILE HA H 77 3.850 4.487 -0.637 1
1 775 . 19 1 1 A 77 77 ILE C C 77 175.900 175.766 0.134 1
1 776 . 19 1 1 A 77 77 ILE CA C 77 59.600 60.221 -0.621 1
1 777 . 19 1 1 A 77 77 ILE CB C 77 38.400 39.722 -1.322 1
1 781 . 19 1 1 A 77 77 ILE N N 77 126.900 125.400 1.500 1
1 782 . 19 1 1 A 78 78 SER H H 78 8.730 9.077 -0.347 1
1 783 . 19 1 1 A 78 78 SER HA H 78 4.140 4.110 0.030 1
1 786 . 19 1 1 A 78 78 SER C C 78 176.200 176.711 -0.511 1
1 787 . 19 1 1 A 78 78 SER CA C 78 60.800 61.172 -0.372 1
1 788 . 19 1 1 A 78 78 SER CB C 78 61.200 63.014 -1.814 1
1 789 . 19 1 1 A 78 78 SER N N 78 119.000 123.907 -4.907 1
1 790 . 19 1 1 A 79 79 THR H H 79 8.050 7.807 0.243 1
1 791 . 19 1 1 A 79 79 THR HA H 79 4.580 4.029 0.551 1
1 796 . 19 1 1 A 79 79 THR C C 79 174.400 176.048 -1.648 1
1 797 . 19 1 1 A 79 79 THR CA C 79 62.200 64.792 -2.592 1
1 798 . 19 1 1 A 79 79 THR CB C 79 69.300 68.632 0.668 1
1 800 . 19 1 1 A 79 79 THR N N 79 114.300 115.082 -0.782 1
1 801 . 19 1 1 A 80 80 LEU H H 80 7.470 7.805 -0.335 1
1 802 . 19 1 1 A 80 80 LEU HA H 80 3.580 3.656 -0.076 1
1 812 . 19 1 1 A 80 80 LEU C C 80 176.500 177.779 -1.279 1
1 813 . 19 1 1 A 80 80 LEU CA C 80 58.400 57.948 0.452 1
1 814 . 19 1 1 A 80 80 LEU CB C 80 41.800 41.418 0.382 1
1 818 . 19 1 1 A 80 80 LEU N N 80 123.200 121.712 1.488 1
1 819 . 19 1 1 A 81 81 ASP H H 81 8.450 7.690 0.760 1
1 820 . 19 1 1 A 81 81 ASP HA H 81 4.060 4.172 -0.112 1
1 823 . 19 1 1 A 81 81 ASP C C 81 178.700 178.515 0.185 1
1 824 . 19 1 1 A 81 81 ASP CA C 81 57.600 57.983 -0.383 1
1 825 . 19 1 1 A 81 81 ASP CB C 81 39.500 41.890 -2.390 1
1 826 . 19 1 1 A 81 81 ASP N N 81 116.000 119.003 -3.003 1
1 827 . 19 1 1 A 82 82 GLU H H 82 7.800 7.635 0.165 1
1 828 . 19 1 1 A 82 82 GLU HA H 82 4.030 3.997 0.033 1
1 833 . 19 1 1 A 82 82 GLU C C 82 178.500 178.567 -0.067 1
1 834 . 19 1 1 A 82 82 GLU CA C 82 59.100 59.227 -0.127 1
1 835 . 19 1 1 A 82 82 GLU CB C 82 29.300 29.472 -0.172 1
1 837 . 19 1 1 A 82 82 GLU N N 82 120.400 118.685 1.715 1
1 838 . 19 1 1 A 83 83 TYR H H 83 8.190 8.230 -0.040 1
1 839 . 19 1 1 A 83 83 TYR HA H 83 4.410 4.354 0.056 1
1 846 . 19 1 1 A 83 83 TYR C C 83 176.700 177.304 -0.604 1
1 847 . 19 1 1 A 83 83 TYR CA C 83 60.900 61.340 -0.440 1
1 848 . 19 1 1 A 83 83 TYR CB C 83 37.600 38.708 -1.108 1
1 851 . 19 1 1 A 83 83 TYR N N 83 122.900 121.983 0.917 1
1 852 . 19 1 1 A 84 84 ILE H H 84 8.400 8.660 -0.260 1
1 853 . 19 1 1 A 84 84 ILE HA H 84 3.240 3.483 -0.243 1
1 863 . 19 1 1 A 84 84 ILE C C 84 178.000 177.537 0.463 1
1 864 . 19 1 1 A 84 84 ILE CA C 84 60.800 65.588 -4.788 1
1 865 . 19 1 1 A 84 84 ILE CB C 84 35.500 37.476 -1.976 1
1 869 . 19 1 1 A 84 84 ILE N N 84 119.100 120.241 -1.141 1
1 870 . 19 1 1 A 85 85 TYR H H 85 7.820 8.093 -0.273 1
1 871 . 19 1 1 A 85 85 TYR HA H 85 3.910 4.048 -0.138 1
1 878 . 19 1 1 A 85 85 TYR C C 85 176.800 177.824 -1.024 1
1 879 . 19 1 1 A 85 85 TYR CA C 85 60.700 61.377 -0.677 1
1 880 . 19 1 1 A 85 85 TYR CB C 85 37.900 38.750 -0.850 1
1 883 . 19 1 1 A 85 85 TYR N N 85 119.100 120.424 -1.324 1
1 884 . 19 1 1 A 86 86 GLU H H 86 7.660 7.890 -0.230 1
1 885 . 19 1 1 A 86 86 GLU HA H 86 3.690 4.148 -0.458 1
1 890 . 19 1 1 A 86 86 GLU C C 86 177.900 178.087 -0.187 1
1 891 . 19 1 1 A 86 86 GLU CA C 86 58.200 58.850 -0.650 1
1 892 . 19 1 1 A 86 86 GLU CB C 86 29.500 30.028 -0.528 1
1 894 . 19 1 1 A 86 86 GLU N N 86 116.700 118.988 -2.288 1
1 895 . 19 1 1 A 87 87 TYR H H 87 8.010 7.798 0.212 1
1 896 . 19 1 1 A 87 87 TYR HA H 87 4.090 4.259 -0.169 1
1 903 . 19 1 1 A 87 87 TYR C C 87 176.000 176.628 -0.628 1
1 904 . 19 1 1 A 87 87 TYR CA C 87 60.100 60.072 0.028 1
1 905 . 19 1 1 A 87 87 TYR CB C 87 37.300 38.682 -1.382 1
1 908 . 19 1 1 A 87 87 TYR N N 87 114.900 117.994 -3.094 1
1 909 . 19 1 1 A 88 88 CYS H H 88 8.300 7.982 0.318 1
1 910 . 19 1 1 A 88 88 CYS HA H 88 4.760 4.758 0.002 1
1 913 . 19 1 1 A 88 88 CYS CA C 88 53.500 55.319 -1.819 1
1 914 . 19 1 1 A 88 88 CYS CB C 88 42.000 41.387 0.613 1
1 915 . 19 1 1 A 88 88 CYS N N 88 119.700 116.392 3.308 1
1 916 . 19 1 1 A 89 89 ASN C C 89 176.500 175.222 1.278 1
1 917 . 19 1 1 A 90 90 PHE HA H 90 4.590 4.509 0.081 1
1 925 . 19 1 1 A 90 90 PHE CA C 90 57.400 58.418 -1.018 1
1 926 . 19 1 1 A 90 90 PHE CB C 90 38.200 38.791 -0.591 1
1 930 . 19 1 1 A 92 92 CYS HA H 92 4.660 4.927 -0.267 1
1 933 . 19 1 1 A 92 92 CYS C C 92 172.000 171.833 0.167 1
1 934 . 19 1 1 A 92 92 CYS CA C 92 55.000 55.483 -0.483 1
1 935 . 19 1 1 A 92 92 CYS CB C 92 47.400 44.807 2.593 1
1 936 . 19 1 1 A 93 93 ALA H H 93 8.670 8.893 -0.223 1
1 937 . 19 1 1 A 93 93 ALA HA H 93 4.520 5.715 -1.195 1
1 941 . 19 1 1 A 93 93 ALA C C 93 177.400 175.801 1.599 1
1 942 . 19 1 1 A 93 93 ALA CA C 93 52.400 50.686 1.714 1
1 943 . 19 1 1 A 93 93 ALA CB C 93 19.800 23.948 -4.148 1
1 944 . 19 1 1 A 93 93 ALA N N 93 126.000 122.345 3.655 1
1 945 . 19 1 1 A 94 94 TYR H H 94 8.460 8.579 -0.119 1
1 946 . 19 1 1 A 94 94 TYR HA H 94 5.570 5.795 -0.225 1
1 953 . 19 1 1 A 94 94 TYR C C 94 171.500 173.557 -2.057 1
1 954 . 19 1 1 A 94 94 TYR CA C 94 57.200 56.398 0.802 1
1 955 . 19 1 1 A 94 94 TYR CB C 94 39.800 40.816 -1.016 1
1 958 . 19 1 1 A 94 94 TYR N N 94 116.200 115.949 0.251 1
1 959 . 19 1 1 A 95 95 PHE H H 95 9.220 8.743 0.477 1
1 960 . 19 1 1 A 95 95 PHE HA H 95 5.280 5.766 -0.486 1
1 967 . 19 1 1 A 95 95 PHE C C 95 172.900 173.078 -0.178 1
1 968 . 19 1 1 A 95 95 PHE CA C 95 55.200 55.542 -0.342 1
1 969 . 19 1 1 A 95 95 PHE CB C 95 42.400 43.396 -0.996 1
1 972 . 19 1 1 A 95 95 PHE N N 95 114.100 116.931 -2.831 1
1 973 . 19 1 1 A 96 96 VAL H H 96 9.130 9.214 -0.084 1
1 974 . 19 1 1 A 96 96 VAL HA H 96 4.860 5.065 -0.205 1
1 982 . 19 1 1 A 96 96 VAL C C 96 174.800 174.690 0.110 1
1 983 . 19 1 1 A 96 96 VAL CA C 96 61.400 61.343 0.057 1
1 984 . 19 1 1 A 96 96 VAL CB C 96 35.100 34.660 0.440 1
1 987 . 19 1 1 A 96 96 VAL N N 96 118.400 120.566 -2.166 1
1 988 . 19 1 1 A 97 97 LEU H H 97 9.610 9.583 0.027 1
1 989 . 19 1 1 A 97 97 LEU HA H 97 5.380 5.475 -0.095 1
1 999 . 19 1 1 A 97 97 LEU C C 97 175.700 175.291 0.409 1
1 1000 . 19 1 1 A 97 97 LEU CA C 97 52.100 53.268 -1.168 1
1 1001 . 19 1 1 A 97 97 LEU CB C 97 44.500 45.000 -0.500 1
1 1005 . 19 1 1 A 97 97 LEU N N 97 126.100 127.342 -1.242 1
1 1006 . 19 1 1 A 98 98 LYS H H 98 9.660 9.032 0.628 1
1 1007 . 19 1 1 A 98 98 LYS HA H 98 4.740 5.084 -0.344 1
1 1016 . 19 1 1 A 98 98 LYS C C 98 175.500 175.351 0.149 1
1 1017 . 19 1 1 A 98 98 LYS CA C 98 54.400 54.231 0.169 1
1 1018 . 19 1 1 A 98 98 LYS CB C 98 37.500 36.139 1.361 1
1 1022 . 19 1 1 A 98 98 LYS N N 98 123.900 123.254 0.646 1
1 1023 . 19 1 1 A 99 99 ARG H H 99 8.400 8.856 -0.456 1
1 1024 . 19 1 1 A 99 99 ARG HA H 99 4.040 4.368 -0.328 1
1 1031 . 19 1 1 A 99 99 ARG C C 99 174.800 175.958 -1.158 1
1 1032 . 19 1 1 A 99 99 ARG CA C 99 55.500 56.850 -1.350 1
1 1033 . 19 1 1 A 99 99 ARG CB C 99 30.000 30.558 -0.558 1
1 1036 . 19 1 1 A 99 99 ARG N N 99 128.700 126.598 2.102 1
1 1037 . 19 1 1 A 100 100 ILE H H 100 8.660 8.655 0.005 1
1 1038 . 19 1 1 A 100 100 ILE HA H 100 4.150 3.917 0.233 1
1 1048 . 19 1 1 A 100 100 ILE CA C 100 59.100 63.596 -4.496 1
1 1049 . 19 1 1 A 100 100 ILE CB C 100 36.300 37.899 -1.599 1
1 1053 . 19 1 1 A 100 100 ILE N N 100 130.500 127.329 3.171 1
1 1054 . 19 1 1 A 101 101 ARG C C 101 177.000 176.236 0.764 1
1 1055 . 19 1 1 A 102 102 LYS C C 102 178.900 174.656 4.244 1
1 1056 . 19 1 1 A 103 103 LEU HA H 103 4.230 4.239 -0.009 1
1 1066 . 19 1 1 A 103 103 LEU CA C 103 54.900 54.359 0.541 1
1 1067 . 19 1 1 A 103 103 LEU CB C 103 42.100 41.001 1.099 1
1 1071 . 19 1 1 A 104 104 GLU HA H 104 4.010 4.174 -0.164 1
1 1075 . 19 1 1 A 104 104 GLU CA C 104 58.300 55.341 2.959 1
1 1076 . 19 1 1 A 104 104 GLU CB C 104 28.300 29.126 -0.826 1
1 1 . 20 1 1 A 10 10 GLU HA H 10 4.230 4.486 -0.256 1
1 6 . 20 1 1 A 10 10 GLU C C 10 176.100 174.609 1.491 1
1 7 . 20 1 1 A 10 10 GLU CA C 10 56.800 57.555 -0.755 1
1 8 . 20 1 1 A 10 10 GLU CB C 10 30.400 31.097 -0.697 1
1 10 . 20 1 1 A 11 11 ILE H H 11 8.270 7.905 0.365 1
1 11 . 20 1 1 A 11 11 ILE HA H 11 4.100 4.189 -0.089 1
1 21 . 20 1 1 A 11 11 ILE C C 11 173.900 174.774 -0.874 1
1 22 . 20 1 1 A 11 11 ILE CA C 11 60.900 60.782 0.118 1
1 23 . 20 1 1 A 11 11 ILE CB C 11 38.300 39.211 -0.911 1
1 27 . 20 1 1 A 11 11 ILE N N 11 121.800 118.777 3.023 1
1 28 . 20 1 1 A 12 12 MET H H 12 8.150 8.621 -0.471 1
1 29 . 20 1 1 A 12 12 MET HA H 12 5.250 5.188 0.062 1
1 37 . 20 1 1 A 12 12 MET C C 12 175.500 175.416 0.084 1
1 38 . 20 1 1 A 12 12 MET CA C 12 53.100 53.292 -0.192 1
1 39 . 20 1 1 A 12 12 MET CB C 12 33.600 34.610 -1.010 1
1 42 . 20 1 1 A 12 12 MET N N 12 125.200 125.184 0.016 1
1 43 . 20 1 1 A 13 13 ILE H H 13 9.200 9.559 -0.359 1
1 44 . 20 1 1 A 13 13 ILE HA H 13 4.400 4.674 -0.274 1
1 54 . 20 1 1 A 13 13 ILE C C 13 173.500 175.017 -1.517 1
1 55 . 20 1 1 A 13 13 ILE CA C 13 59.600 60.727 -1.127 1
1 56 . 20 1 1 A 13 13 ILE CB C 13 40.500 39.203 1.297 1
1 60 . 20 1 1 A 13 13 ILE N N 13 123.700 123.780 -0.080 1
1 61 . 20 1 1 A 14 14 LEU H H 14 8.550 9.142 -0.592 1
1 62 . 20 1 1 A 14 14 LEU HA H 14 5.200 4.880 0.320 1
1 72 . 20 1 1 A 14 14 LEU C C 14 176.100 175.894 0.206 1
1 73 . 20 1 1 A 14 14 LEU CA C 14 53.700 54.089 -0.389 1
1 74 . 20 1 1 A 14 14 LEU CB C 14 43.700 41.271 2.429 1
1 78 . 20 1 1 A 14 14 LEU N N 14 128.800 128.784 0.016 1
1 79 . 20 1 1 A 15 15 ILE H H 15 8.780 9.068 -0.288 1
1 80 . 20 1 1 A 15 15 ILE HA H 15 4.350 4.536 -0.186 1
1 90 . 20 1 1 A 15 15 ILE CA C 15 58.700 60.290 -1.590 1
1 91 . 20 1 1 A 15 15 ILE CB C 15 39.800 41.041 -1.241 1
1 95 . 20 1 1 A 15 15 ILE N N 15 123.000 124.938 -1.938 1
1 96 . 20 1 1 A 16 16 GLN HA H 16 3.710 4.073 -0.363 1
1 100 . 20 1 1 A 16 16 GLN CA C 16 57.700 57.441 0.259 1
1 101 . 20 1 1 A 16 16 GLN CB C 16 26.500 26.903 -0.403 1
1 103 . 20 1 1 A 17 17 ASN HA H 17 4.460 4.337 0.123 1
1 108 . 20 1 1 A 17 17 ASN C C 17 173.300 173.603 -0.303 1
1 109 . 20 1 1 A 17 17 ASN CA C 17 53.900 54.761 -0.861 1
1 110 . 20 1 1 A 17 17 ASN CB C 17 38.100 37.013 1.087 1
1 112 . 20 1 1 A 18 18 ALA H H 18 8.450 7.781 0.669 1
1 113 . 20 1 1 A 18 18 ALA HA H 18 4.250 4.639 -0.389 1
1 117 . 20 1 1 A 18 18 ALA C C 18 174.000 175.173 -1.173 1
1 118 . 20 1 1 A 18 18 ALA CA C 18 51.600 50.419 1.181 1
1 119 . 20 1 1 A 18 18 ALA CB C 18 20.500 21.642 -1.142 1
1 120 . 20 1 1 A 18 18 ALA N N 18 125.200 119.553 5.647 1
1 121 . 20 1 1 A 19 19 GLU H H 19 7.930 8.653 -0.723 1
1 122 . 20 1 1 A 19 19 GLU HA H 19 5.000 5.027 -0.027 1
1 127 . 20 1 1 A 19 19 GLU C C 19 174.500 174.835 -0.335 1
1 128 . 20 1 1 A 19 19 GLU CA C 19 54.400 55.154 -0.754 1
1 129 . 20 1 1 A 19 19 GLU CB C 19 32.500 31.243 1.257 1
1 131 . 20 1 1 A 19 19 GLU N N 19 121.700 123.080 -1.380 1
1 132 . 20 1 1 A 20 20 PHE H H 20 9.110 9.199 -0.089 1
1 133 . 20 1 1 A 20 20 PHE HA H 20 5.340 5.349 -0.009 1
1 141 . 20 1 1 A 20 20 PHE C C 20 173.900 174.807 -0.907 1
1 142 . 20 1 1 A 20 20 PHE CA C 20 55.800 55.918 -0.118 1
1 143 . 20 1 1 A 20 20 PHE CB C 20 44.800 42.551 2.249 1
1 147 . 20 1 1 A 20 20 PHE N N 20 120.100 124.785 -4.685 1
1 148 . 20 1 1 A 21 21 GLU H H 21 9.200 9.080 0.120 1
1 149 . 20 1 1 A 21 21 GLU HA H 21 5.040 4.827 0.213 1
1 154 . 20 1 1 A 21 21 GLU C C 21 176.200 175.442 0.758 1
1 155 . 20 1 1 A 21 21 GLU CA C 21 53.700 55.410 -1.710 1
1 156 . 20 1 1 A 21 21 GLU CB C 21 33.600 31.009 2.591 1
1 158 . 20 1 1 A 21 21 GLU N N 21 120.800 122.121 -1.321 1
1 159 . 20 1 1 A 22 22 LEU H H 22 8.590 8.513 0.077 1
1 160 . 20 1 1 A 22 22 LEU HA H 22 4.420 4.396 0.024 1
1 170 . 20 1 1 A 22 22 LEU C C 22 175.200 177.002 -1.802 1
1 171 . 20 1 1 A 22 22 LEU CA C 22 54.900 55.083 -0.183 1
1 172 . 20 1 1 A 22 22 LEU CB C 22 41.000 41.703 -0.703 1
1 176 . 20 1 1 A 22 22 LEU N N 22 127.900 126.342 1.558 1
1 177 . 20 1 1 A 23 23 VAL H H 23 8.350 8.787 -0.437 1
1 178 . 20 1 1 A 23 23 VAL HA H 23 4.460 4.367 0.093 1
1 186 . 20 1 1 A 23 23 VAL C C 23 175.500 175.828 -0.328 1
1 187 . 20 1 1 A 23 23 VAL CA C 23 62.100 62.617 -0.517 1
1 188 . 20 1 1 A 23 23 VAL CB C 23 32.600 32.702 -0.102 1
1 191 . 20 1 1 A 23 23 VAL N N 23 122.700 121.953 0.747 1
1 192 . 20 1 1 A 24 24 HIS H H 24 7.590 7.250 0.340 1
1 193 . 20 1 1 A 24 24 HIS HA H 24 4.750 4.851 -0.101 1
1 197 . 20 1 1 A 24 24 HIS CA C 24 56.800 56.218 0.582 1
1 198 . 20 1 1 A 24 24 HIS CB C 24 34.800 32.899 1.901 1
1 200 . 20 1 1 A 24 24 HIS N N 24 118.300 120.741 -2.441 1
1 201 . 20 1 1 A 25 25 ASN HA H 25 5.070 5.340 -0.270 1
1 206 . 20 1 1 A 25 25 ASN C C 25 172.500 173.307 -0.807 1
1 207 . 20 1 1 A 25 25 ASN CA C 25 52.000 52.249 -0.249 1
1 208 . 20 1 1 A 25 25 ASN CB C 25 40.400 42.271 -1.871 1
1 210 . 20 1 1 A 26 26 PHE H H 26 9.000 9.012 -0.012 1
1 211 . 20 1 1 A 26 26 PHE HA H 26 4.540 4.754 -0.214 1
1 219 . 20 1 1 A 26 26 PHE C C 26 174.500 174.733 -0.233 1
1 220 . 20 1 1 A 26 26 PHE CA C 26 57.100 57.189 -0.089 1
1 221 . 20 1 1 A 26 26 PHE CB C 26 40.900 41.679 -0.779 1
1 225 . 20 1 1 A 26 26 PHE N N 26 128.200 126.721 1.479 1
1 226 . 20 1 1 A 27 27 LYS H H 27 8.700 9.303 -0.603 1
1 227 . 20 1 1 A 27 27 LYS HA H 27 3.290 3.756 -0.466 1
1 236 . 20 1 1 A 27 27 LYS C C 27 174.500 175.581 -1.081 1
1 237 . 20 1 1 A 27 27 LYS CA C 27 56.800 57.404 -0.604 1
1 238 . 20 1 1 A 27 27 LYS CB C 27 29.500 29.912 -0.412 1
1 242 . 20 1 1 A 27 27 LYS N N 27 126.000 127.826 -1.826 1
1 243 . 20 1 1 A 28 28 ASP H H 28 8.560 8.438 0.122 1
1 244 . 20 1 1 A 28 28 ASP HA H 28 4.080 4.392 -0.312 1
1 247 . 20 1 1 A 28 28 ASP C C 28 174.700 177.203 -2.503 1
1 248 . 20 1 1 A 28 28 ASP CA C 28 54.800 55.598 -0.798 1
1 249 . 20 1 1 A 28 28 ASP CB C 28 39.100 38.944 0.156 1
1 250 . 20 1 1 A 28 28 ASP N N 28 112.300 111.172 1.128 1
1 251 . 20 1 1 A 29 29 GLY H H 29 7.160 7.772 -0.612 1
1 252 . 20 1 1 A 29 29 GLY HA2 H 29 3.490 4.040 -0.550 1
1 253 . 20 1 1 A 29 29 GLY HA3 H 29 3.780 4.308 -0.528 1
1 254 . 20 1 1 A 29 29 GLY C C 29 174.800 175.005 -0.205 1
1 255 . 20 1 1 A 29 29 GLY CA C 29 47.600 47.337 0.263 1
1 256 . 20 1 1 A 29 29 GLY N N 29 101.900 106.058 -4.158 1
1 257 . 20 1 1 A 30 30 PHE H H 30 9.400 7.794 1.606 1
1 258 . 20 1 1 A 30 30 PHE HA H 30 3.380 3.434 -0.054 1
1 266 . 20 1 1 A 30 30 PHE CA C 30 60.700 58.941 1.759 1
1 267 . 20 1 1 A 30 30 PHE CB C 30 37.700 39.689 -1.989 1
1 271 . 20 1 1 A 30 30 PHE N N 30 120.800 121.532 -0.732 1
1 272 . 20 1 1 A 31 31 ASN H H 31 5.090 7.923 -2.833 1
1 273 . 20 1 1 A 31 31 ASN HA H 31 4.220 4.519 -0.299 1
1 276 . 20 1 1 A 31 31 ASN CA C 31 52.400 52.416 -0.016 1
1 277 . 20 1 1 A 31 31 ASN CB C 31 41.100 39.995 1.105 1
1 278 . 20 1 1 A 31 31 ASN N N 31 125.400 123.807 1.593 1
1 279 . 20 1 1 A 32 32 GLU HA H 32 3.290 3.693 -0.403 1
1 284 . 20 1 1 A 32 32 GLU C C 32 176.900 177.944 -1.044 1
1 285 . 20 1 1 A 32 32 GLU CA C 32 60.600 59.691 0.909 1
1 286 . 20 1 1 A 32 32 GLU CB C 32 29.500 29.537 -0.037 1
1 288 . 20 1 1 A 33 33 GLU H H 33 8.320 8.349 -0.029 1
1 289 . 20 1 1 A 33 33 GLU HA H 33 3.880 4.064 -0.184 1
1 294 . 20 1 1 A 33 33 GLU C C 33 179.300 178.669 0.631 1
1 295 . 20 1 1 A 33 33 GLU CA C 33 59.600 59.434 0.166 1
1 296 . 20 1 1 A 33 33 GLU CB C 33 28.700 29.057 -0.357 1
1 298 . 20 1 1 A 33 33 GLU N N 33 119.000 117.658 1.342 1
1 299 . 20 1 1 A 34 34 ALA H H 34 8.330 7.794 0.536 1
1 300 . 20 1 1 A 34 34 ALA HA H 34 4.130 4.126 0.004 1
1 304 . 20 1 1 A 34 34 ALA C C 34 179.600 179.686 -0.086 1
1 305 . 20 1 1 A 34 34 ALA CA C 34 54.400 55.073 -0.673 1
1 306 . 20 1 1 A 34 34 ALA CB C 34 18.400 18.466 -0.066 1
1 307 . 20 1 1 A 34 34 ALA N N 34 122.200 122.495 -0.295 1
1 308 . 20 1 1 A 35 35 PHE H H 35 8.040 8.536 -0.496 1
1 309 . 20 1 1 A 35 35 PHE HA H 35 4.020 4.183 -0.163 1
1 317 . 20 1 1 A 35 35 PHE C C 35 176.100 177.439 -1.339 1
1 318 . 20 1 1 A 35 35 PHE CA C 35 61.000 61.294 -0.294 1
1 319 . 20 1 1 A 35 35 PHE CB C 35 39.000 39.421 -0.421 1
1 323 . 20 1 1 A 35 35 PHE N N 35 117.100 119.910 -2.810 1
1 324 . 20 1 1 A 36 36 LYS H H 36 8.490 8.658 -0.168 1
1 325 . 20 1 1 A 36 36 LYS HA H 36 3.320 3.964 -0.644 1
1 334 . 20 1 1 A 36 36 LYS C C 36 178.000 177.939 0.061 1
1 335 . 20 1 1 A 36 36 LYS CA C 36 59.800 58.869 0.931 1
1 336 . 20 1 1 A 36 36 LYS CB C 36 32.100 32.047 0.053 1
1 340 . 20 1 1 A 36 36 LYS N N 36 118.100 118.364 -0.264 1
1 341 . 20 1 1 A 37 37 ALA H H 37 7.450 7.720 -0.270 1
1 342 . 20 1 1 A 37 37 ALA HA H 37 4.130 4.210 -0.080 1
1 346 . 20 1 1 A 37 37 ALA C C 37 178.500 177.801 0.699 1
1 347 . 20 1 1 A 37 37 ALA CA C 37 53.600 53.676 -0.076 1
1 348 . 20 1 1 A 37 37 ALA CB C 37 18.500 18.770 -0.270 1
1 349 . 20 1 1 A 37 37 ALA N N 37 117.700 120.827 -3.127 1
1 350 . 20 1 1 A 38 38 ARG H H 38 7.160 7.763 -0.603 1
1 351 . 20 1 1 A 38 38 ARG HA H 38 4.340 4.440 -0.100 1
1 358 . 20 1 1 A 38 38 ARG C C 38 175.400 175.738 -0.338 1
1 359 . 20 1 1 A 38 38 ARG CA C 38 54.200 55.355 -1.155 1
1 360 . 20 1 1 A 38 38 ARG CB C 38 31.400 31.210 0.190 1
1 363 . 20 1 1 A 38 38 ARG N N 38 114.800 115.422 -0.622 1
1 364 . 20 1 1 A 39 39 TYR H H 39 7.510 7.555 -0.045 1
1 365 . 20 1 1 A 39 39 TYR HA H 39 3.350 4.239 -0.889 1
1 372 . 20 1 1 A 39 39 TYR C C 39 173.700 174.891 -1.191 1
1 373 . 20 1 1 A 39 39 TYR CA C 39 60.800 58.225 2.575 1
1 374 . 20 1 1 A 39 39 TYR CB C 39 38.000 38.365 -0.365 1
1 377 . 20 1 1 A 39 39 TYR N N 39 122.600 123.258 -0.658 1
1 378 . 20 1 1 A 40 40 SER H H 40 5.730 8.464 -2.734 1
1 379 . 20 1 1 A 40 40 SER HA H 40 4.470 4.323 0.147 1
1 382 . 20 1 1 A 40 40 SER CA C 40 56.100 58.775 -2.675 1
1 383 . 20 1 1 A 40 40 SER CB C 40 65.100 63.513 1.587 1
1 384 . 20 1 1 A 40 40 SER N N 40 119.100 124.531 -5.431 1
1 385 . 20 1 1 A 41 41 ASP HA H 41 4.210 4.242 -0.032 1
1 388 . 20 1 1 A 41 41 ASP CA C 41 56.700 57.170 -0.470 1
1 389 . 20 1 1 A 41 41 ASP CB C 41 40.500 40.208 0.292 1
1 390 . 20 1 1 A 42 42 ILE HA H 42 4.030 3.806 0.224 1
1 400 . 20 1 1 A 42 42 ILE C C 42 176.600 177.941 -1.341 1
1 401 . 20 1 1 A 42 42 ILE CA C 42 63.200 63.157 0.043 1
1 402 . 20 1 1 A 42 42 ILE CB C 42 37.600 37.470 0.130 1
1 406 . 20 1 1 A 43 43 LEU H H 43 7.700 7.962 -0.262 1
1 407 . 20 1 1 A 43 43 LEU HA H 43 4.560 4.351 0.209 1
1 417 . 20 1 1 A 43 43 LEU C C 43 178.000 179.233 -1.233 1
1 418 . 20 1 1 A 43 43 LEU CA C 43 54.700 56.716 -2.016 1
1 419 . 20 1 1 A 43 43 LEU CB C 43 40.800 41.188 -0.388 1
1 423 . 20 1 1 A 43 43 LEU N N 43 117.500 120.517 -3.017 1
1 424 . 20 1 1 A 44 44 ASN H H 44 7.870 8.280 -0.410 1
1 425 . 20 1 1 A 44 44 ASN HA H 44 4.480 4.768 -0.288 1
1 428 . 20 1 1 A 44 44 ASN CA C 44 55.300 55.847 -0.547 1
1 429 . 20 1 1 A 44 44 ASN CB C 44 38.200 39.312 -1.112 1
1 430 . 20 1 1 A 44 44 ASN N N 44 118.400 118.257 0.143 1
1 431 . 20 1 1 A 45 45 LYS HA H 45 4.200 4.081 0.119 1
1 440 . 20 1 1 A 45 45 LYS C C 45 176.200 178.470 -2.270 1
1 441 . 20 1 1 A 45 45 LYS CA C 45 56.500 58.846 -2.346 1
1 442 . 20 1 1 A 45 45 LYS CB C 45 32.000 31.700 0.300 1
1 446 . 20 1 1 A 46 46 TYR H H 46 6.770 7.552 -0.782 1
1 447 . 20 1 1 A 46 46 TYR HA H 46 3.900 3.843 0.057 1
1 454 . 20 1 1 A 46 46 TYR C C 46 175.500 175.430 0.070 1
1 455 . 20 1 1 A 46 46 TYR CA C 46 59.200 59.681 -0.481 1
1 456 . 20 1 1 A 46 46 TYR CB C 46 38.700 38.611 0.089 1
1 459 . 20 1 1 A 46 46 TYR N N 46 117.400 116.695 0.705 1
1 460 . 20 1 1 A 47 47 ASP H H 47 7.540 7.696 -0.156 1
1 461 . 20 1 1 A 47 47 ASP HA H 47 4.880 4.662 0.218 1
1 464 . 20 1 1 A 47 47 ASP C C 47 175.100 174.333 0.767 1
1 465 . 20 1 1 A 47 47 ASP CA C 47 56.100 55.778 0.322 1
1 466 . 20 1 1 A 47 47 ASP CB C 47 43.100 39.705 3.395 1
1 467 . 20 1 1 A 47 47 ASP N N 47 118.300 117.101 1.199 1
1 468 . 20 1 1 A 48 48 TYR H H 48 8.640 8.075 0.565 1
1 469 . 20 1 1 A 48 48 TYR HA H 48 5.670 5.481 0.189 1
1 476 . 20 1 1 A 48 48 TYR C C 48 174.700 174.632 0.068 1
1 477 . 20 1 1 A 48 48 TYR CA C 48 55.900 56.838 -0.938 1
1 478 . 20 1 1 A 48 48 TYR CB C 48 43.500 40.821 2.679 1
1 481 . 20 1 1 A 48 48 TYR N N 48 116.700 119.161 -2.461 1
1 482 . 20 1 1 A 49 49 ILE H H 49 9.130 8.897 0.233 1
1 483 . 20 1 1 A 49 49 ILE HA H 49 4.660 4.874 -0.214 1
1 493 . 20 1 1 A 49 49 ILE C C 49 173.900 174.856 -0.956 1
1 494 . 20 1 1 A 49 49 ILE CA C 49 59.400 59.751 -0.351 1
1 495 . 20 1 1 A 49 49 ILE CB C 49 40.700 39.842 0.858 1
1 499 . 20 1 1 A 49 49 ILE N N 49 119.500 123.989 -4.489 1
1 500 . 20 1 1 A 50 50 VAL H H 50 9.220 9.037 0.183 1
1 501 . 20 1 1 A 50 50 VAL HA H 50 4.860 4.933 -0.073 1
1 509 . 20 1 1 A 50 50 VAL C C 50 175.200 174.805 0.395 1
1 510 . 20 1 1 A 50 50 VAL CA C 50 60.100 60.634 -0.534 1
1 511 . 20 1 1 A 50 50 VAL CB C 50 33.400 34.415 -1.015 1
1 514 . 20 1 1 A 50 50 VAL N N 50 128.600 128.611 -0.011 1
1 515 . 20 1 1 A 51 51 GLY H H 51 7.860 8.533 -0.673 1
1 516 . 20 1 1 A 51 51 GLY HA2 H 51 5.420 3.419 2.001 1
1 517 . 20 1 1 A 51 51 GLY HA3 H 51 2.080 3.997 -1.917 1
1 518 . 20 1 1 A 51 51 GLY C C 51 170.700 171.406 -0.706 1
1 519 . 20 1 1 A 51 51 GLY CA C 51 43.600 44.186 -0.586 1
1 520 . 20 1 1 A 51 51 GLY N N 51 116.100 115.214 0.886 1
1 521 . 20 1 1 A 52 52 ASP H H 52 8.940 9.201 -0.261 1
1 522 . 20 1 1 A 52 52 ASP HA H 52 5.540 5.537 0.003 1
1 525 . 20 1 1 A 52 52 ASP C C 52 174.200 175.494 -1.294 1
1 526 . 20 1 1 A 52 52 ASP CA C 52 53.000 53.081 -0.081 1
1 527 . 20 1 1 A 52 52 ASP CB C 52 47.100 43.688 3.412 1
1 528 . 20 1 1 A 52 52 ASP N N 52 121.200 124.746 -3.546 1
1 529 . 20 1 1 A 53 53 TRP H H 53 7.980 8.954 -0.974 1
1 530 . 20 1 1 A 53 53 TRP HA H 53 4.950 4.575 0.375 1
1 539 . 20 1 1 A 53 53 TRP C C 53 178.500 177.209 1.291 1
1 540 . 20 1 1 A 53 53 TRP CA C 53 56.200 60.273 -4.073 1
1 541 . 20 1 1 A 53 53 TRP CB C 53 28.500 30.281 -1.781 1
1 547 . 20 1 1 A 53 53 TRP N N 53 119.900 123.643 -3.743 1
1 549 . 20 1 1 A 54 54 GLY H H 54 10.320 8.357 1.963 1
1 550 . 20 1 1 A 54 54 GLY HA2 H 54 4.020 4.075 -0.055 1
1 551 . 20 1 1 A 54 54 GLY HA3 H 54 4.020 4.077 -0.057 1
1 552 . 20 1 1 A 54 54 GLY CA C 54 48.600 47.441 1.159 1
1 553 . 20 1 1 A 54 54 GLY N N 54 115.400 107.802 7.598 1
1 554 . 20 1 1 A 55 55 TYR HA H 55 4.890 4.809 0.081 1
1 561 . 20 1 1 A 55 55 TYR CA C 55 56.800 57.444 -0.644 1
1 562 . 20 1 1 A 55 55 TYR CB C 55 38.100 40.044 -1.944 1
1 565 . 20 1 1 A 56 56 GLY HA2 H 56 3.850 3.671 0.179 1
1 566 . 20 1 1 A 56 56 GLY HA3 H 56 4.360 3.841 0.519 1
1 567 . 20 1 1 A 56 56 GLY C C 56 173.100 173.196 -0.096 1
1 568 . 20 1 1 A 56 56 GLY CA C 56 45.600 45.699 -0.099 1
1 569 . 20 1 1 A 57 57 GLN H H 57 7.380 7.620 -0.240 1
1 570 . 20 1 1 A 57 57 GLN HA H 57 4.660 4.858 -0.198 1
1 576 . 20 1 1 A 57 57 GLN C C 57 173.800 173.578 0.222 1
1 577 . 20 1 1 A 57 57 GLN CA C 57 53.400 53.866 -0.466 1
1 578 . 20 1 1 A 57 57 GLN CB C 57 31.600 32.817 -1.217 1
1 580 . 20 1 1 A 57 57 GLN N N 57 116.300 117.730 -1.430 1
1 582 . 20 1 1 A 58 58 LEU H H 58 8.100 8.469 -0.369 1
1 583 . 20 1 1 A 58 58 LEU HA H 58 3.250 4.484 -1.234 1
1 593 . 20 1 1 A 58 58 LEU C C 58 174.200 175.253 -1.053 1
1 594 . 20 1 1 A 58 58 LEU CA C 58 55.500 53.861 1.639 1
1 595 . 20 1 1 A 58 58 LEU CB C 58 39.900 42.396 -2.496 1
1 599 . 20 1 1 A 58 58 LEU N N 58 124.400 124.824 -0.424 1
1 600 . 20 1 1 A 59 59 ARG H H 59 8.360 9.027 -0.667 1
1 601 . 20 1 1 A 59 59 ARG HA H 59 4.470 4.858 -0.388 1
1 608 . 20 1 1 A 59 59 ARG C C 59 174.000 174.765 -0.765 1
1 609 . 20 1 1 A 59 59 ARG CA C 59 54.200 55.099 -0.899 1
1 610 . 20 1 1 A 59 59 ARG CB C 59 33.000 31.667 1.333 1
1 613 . 20 1 1 A 59 59 ARG N N 59 130.500 127.452 3.048 1
1 614 . 20 1 1 A 60 60 LEU H H 60 8.480 9.118 -0.638 1
1 615 . 20 1 1 A 60 60 LEU HA H 60 5.260 5.144 0.116 1
1 625 . 20 1 1 A 60 60 LEU C C 60 176.000 174.918 1.082 1
1 626 . 20 1 1 A 60 60 LEU CA C 60 52.500 53.491 -0.991 1
1 627 . 20 1 1 A 60 60 LEU CB C 60 44.200 42.849 1.351 1
1 631 . 20 1 1 A 60 60 LEU N N 60 122.400 127.968 -5.568 1
1 632 . 20 1 1 A 61 61 LYS H H 61 8.900 9.247 -0.347 1
1 633 . 20 1 1 A 61 61 LYS HA H 61 4.160 4.791 -0.631 1
1 642 . 20 1 1 A 61 61 LYS C C 61 174.200 175.116 -0.916 1
1 643 . 20 1 1 A 61 61 LYS CA C 61 54.800 53.691 1.109 1
1 644 . 20 1 1 A 61 61 LYS CB C 61 36.600 35.500 1.100 1
1 648 . 20 1 1 A 61 61 LYS N N 61 123.800 125.816 -2.016 1
1 649 . 20 1 1 A 62 62 GLY H H 62 8.140 8.237 -0.097 1
1 650 . 20 1 1 A 62 62 GLY HA2 H 62 4.160 3.128 1.032 1
1 651 . 20 1 1 A 62 62 GLY HA3 H 62 4.160 3.805 0.355 1
1 652 . 20 1 1 A 62 62 GLY C C 62 172.000 171.713 0.287 1
1 653 . 20 1 1 A 62 62 GLY CA C 62 43.000 43.308 -0.308 1
1 654 . 20 1 1 A 62 62 GLY N N 62 114.000 111.797 2.203 1
1 655 . 20 1 1 A 63 63 PHE H H 63 8.500 8.616 -0.116 1
1 656 . 20 1 1 A 63 63 PHE HA H 63 4.800 5.028 -0.228 1
1 664 . 20 1 1 A 63 63 PHE C C 63 175.400 174.293 1.107 1
1 665 . 20 1 1 A 63 63 PHE CA C 63 55.800 56.229 -0.429 1
1 666 . 20 1 1 A 63 63 PHE CB C 63 46.200 43.746 2.454 1
1 670 . 20 1 1 A 63 63 PHE N N 63 118.600 121.218 -2.618 1
1 671 . 20 1 1 A 64 64 PHE H H 64 9.930 8.885 1.045 1
1 672 . 20 1 1 A 64 64 PHE HA H 64 5.460 5.171 0.289 1
1 679 . 20 1 1 A 64 64 PHE C C 64 175.600 175.292 0.308 1
1 680 . 20 1 1 A 64 64 PHE CA C 64 57.500 56.757 0.743 1
1 681 . 20 1 1 A 64 64 PHE CB C 64 43.100 42.197 0.903 1
1 684 . 20 1 1 A 64 64 PHE N N 64 120.100 118.887 1.213 1
1 685 . 20 1 1 A 65 65 ASP H H 65 10.950 8.850 2.100 1
1 686 . 20 1 1 A 65 65 ASP HA H 65 4.860 4.333 0.527 1
1 689 . 20 1 1 A 65 65 ASP C C 65 177.400 175.017 2.383 1
1 690 . 20 1 1 A 65 65 ASP CA C 65 56.400 54.062 2.338 1
1 691 . 20 1 1 A 65 65 ASP CB C 65 42.800 41.454 1.346 1
1 692 . 20 1 1 A 65 65 ASP N N 65 123.200 120.899 2.301 1
1 693 . 20 1 1 A 66 66 ASP H H 66 8.470 8.944 -0.474 1
1 694 . 20 1 1 A 66 66 ASP HA H 66 4.110 4.760 -0.650 1
1 697 . 20 1 1 A 66 66 ASP C C 66 175.300 177.608 -2.308 1
1 698 . 20 1 1 A 66 66 ASP CA C 66 57.800 55.696 2.104 1
1 699 . 20 1 1 A 66 66 ASP CB C 66 42.000 43.166 -1.166 1
1 700 . 20 1 1 A 66 66 ASP N N 66 122.800 122.461 0.339 1
1 701 . 20 1 1 A 67 67 GLN H H 67 8.500 7.710 0.790 1
1 702 . 20 1 1 A 67 67 GLN HA H 67 4.250 4.225 0.025 1
1 707 . 20 1 1 A 67 67 GLN C C 67 175.900 176.549 -0.649 1
1 708 . 20 1 1 A 67 67 GLN CA C 67 55.400 57.621 -2.221 1
1 709 . 20 1 1 A 67 67 GLN CB C 67 28.300 29.314 -1.014 1
1 711 . 20 1 1 A 68 68 ASN H H 68 7.880 7.989 -0.109 1
1 712 . 20 1 1 A 68 68 ASN HA H 68 4.430 4.703 -0.273 1
1 714 . 20 1 1 A 68 68 ASN CA C 68 53.300 55.464 -2.164 1
1 715 . 20 1 1 A 68 68 ASN CB C 68 39.300 37.294 2.006 1
1 716 . 20 1 1 A 68 68 ASN N N 68 121.500 116.004 5.496 1
1 722 . 20 1 1 A 73 73 PHE HA H 73 4.190 4.796 -0.606 1
1 730 . 20 1 1 A 73 73 PHE CA C 73 61.300 55.440 5.860 1
1 731 . 20 1 1 A 73 73 PHE CB C 73 38.600 40.778 -2.178 1
1 735 . 20 1 1 A 74 74 GLU HA H 74 4.290 4.520 -0.230 1
1 738 . 20 1 1 A 74 74 GLU CA C 74 56.800 57.796 -0.996 1
1 739 . 20 1 1 A 74 74 GLU CB C 74 29.900 31.485 -1.585 1
1 741 . 20 1 1 A 75 75 THR HA H 75 4.180 4.426 -0.246 1
1 746 . 20 1 1 A 75 75 THR C C 75 174.100 173.582 0.518 1
1 747 . 20 1 1 A 75 75 THR CA C 75 60.700 61.376 -0.676 1
1 748 . 20 1 1 A 75 75 THR CB C 75 69.800 68.261 1.539 1
1 750 . 20 1 1 A 76 76 LYS HA H 76 3.880 4.830 -0.950 1
1 759 . 20 1 1 A 76 76 LYS CA C 76 55.900 55.913 -0.013 1
1 760 . 20 1 1 A 76 76 LYS CB C 76 32.100 36.158 -4.058 1
1 764 . 20 1 1 A 77 77 ILE H H 77 9.060 8.657 0.403 1
1 765 . 20 1 1 A 77 77 ILE HA H 77 3.850 4.664 -0.814 1
1 775 . 20 1 1 A 77 77 ILE C C 77 175.900 175.941 -0.041 1
1 776 . 20 1 1 A 77 77 ILE CA C 77 59.600 60.040 -0.440 1
1 777 . 20 1 1 A 77 77 ILE CB C 77 38.400 40.474 -2.074 1
1 781 . 20 1 1 A 77 77 ILE N N 77 126.900 127.360 -0.460 1
1 782 . 20 1 1 A 78 78 SER H H 78 8.730 9.037 -0.307 1
1 783 . 20 1 1 A 78 78 SER HA H 78 4.140 4.040 0.100 1
1 786 . 20 1 1 A 78 78 SER C C 78 176.200 176.287 -0.087 1
1 787 . 20 1 1 A 78 78 SER CA C 78 60.800 61.682 -0.882 1
1 788 . 20 1 1 A 78 78 SER CB C 78 61.200 62.968 -1.768 1
1 789 . 20 1 1 A 78 78 SER N N 78 119.000 123.724 -4.724 1
1 790 . 20 1 1 A 79 79 THR H H 79 8.050 7.554 0.496 1
1 791 . 20 1 1 A 79 79 THR HA H 79 4.580 4.000 0.580 1
1 796 . 20 1 1 A 79 79 THR C C 79 174.400 176.010 -1.610 1
1 797 . 20 1 1 A 79 79 THR CA C 79 62.200 64.623 -2.423 1
1 798 . 20 1 1 A 79 79 THR CB C 79 69.300 68.781 0.519 1
1 800 . 20 1 1 A 79 79 THR N N 79 114.300 114.864 -0.564 1
1 801 . 20 1 1 A 80 80 LEU H H 80 7.470 7.686 -0.216 1
1 802 . 20 1 1 A 80 80 LEU HA H 80 3.580 3.536 0.044 1
1 812 . 20 1 1 A 80 80 LEU C C 80 176.500 177.947 -1.447 1
1 813 . 20 1 1 A 80 80 LEU CA C 80 58.400 57.796 0.604 1
1 814 . 20 1 1 A 80 80 LEU CB C 80 41.800 41.414 0.386 1
1 818 . 20 1 1 A 80 80 LEU N N 80 123.200 121.915 1.285 1
1 819 . 20 1 1 A 81 81 ASP H H 81 8.450 7.886 0.564 1
1 820 . 20 1 1 A 81 81 ASP HA H 81 4.060 4.177 -0.117 1
1 823 . 20 1 1 A 81 81 ASP C C 81 178.700 178.492 0.208 1
1 824 . 20 1 1 A 81 81 ASP CA C 81 57.600 57.916 -0.316 1
1 825 . 20 1 1 A 81 81 ASP CB C 81 39.500 41.354 -1.854 1
1 826 . 20 1 1 A 81 81 ASP N N 81 116.000 119.149 -3.149 1
1 827 . 20 1 1 A 82 82 GLU H H 82 7.800 7.620 0.180 1
1 828 . 20 1 1 A 82 82 GLU HA H 82 4.030 3.975 0.055 1
1 833 . 20 1 1 A 82 82 GLU C C 82 178.500 178.486 0.014 1
1 834 . 20 1 1 A 82 82 GLU CA C 82 59.100 59.348 -0.248 1
1 835 . 20 1 1 A 82 82 GLU CB C 82 29.300 29.504 -0.204 1
1 837 . 20 1 1 A 82 82 GLU N N 82 120.400 118.817 1.583 1
1 838 . 20 1 1 A 83 83 TYR H H 83 8.190 8.188 0.002 1
1 839 . 20 1 1 A 83 83 TYR HA H 83 4.410 4.304 0.106 1
1 846 . 20 1 1 A 83 83 TYR C C 83 176.700 177.206 -0.506 1
1 847 . 20 1 1 A 83 83 TYR CA C 83 60.900 61.331 -0.431 1
1 848 . 20 1 1 A 83 83 TYR CB C 83 37.600 38.571 -0.971 1
1 851 . 20 1 1 A 83 83 TYR N N 83 122.900 121.812 1.088 1
1 852 . 20 1 1 A 84 84 ILE H H 84 8.400 8.523 -0.123 1
1 853 . 20 1 1 A 84 84 ILE HA H 84 3.240 3.295 -0.055 1
1 863 . 20 1 1 A 84 84 ILE C C 84 178.000 177.335 0.665 1
1 864 . 20 1 1 A 84 84 ILE CA C 84 60.800 65.163 -4.363 1
1 865 . 20 1 1 A 84 84 ILE CB C 84 35.500 37.598 -2.098 1
1 869 . 20 1 1 A 84 84 ILE N N 84 119.100 120.452 -1.352 1
1 870 . 20 1 1 A 85 85 TYR H H 85 7.820 8.176 -0.356 1
1 871 . 20 1 1 A 85 85 TYR HA H 85 3.910 3.930 -0.020 1
1 878 . 20 1 1 A 85 85 TYR C C 85 176.800 177.918 -1.118 1
1 879 . 20 1 1 A 85 85 TYR CA C 85 60.700 61.175 -0.475 1
1 880 . 20 1 1 A 85 85 TYR CB C 85 37.900 38.493 -0.593 1
1 883 . 20 1 1 A 85 85 TYR N N 85 119.100 120.957 -1.857 1
1 884 . 20 1 1 A 86 86 GLU H H 86 7.660 8.512 -0.852 1
1 885 . 20 1 1 A 86 86 GLU HA H 86 3.690 3.824 -0.134 1
1 890 . 20 1 1 A 86 86 GLU C C 86 177.900 178.088 -0.188 1
1 891 . 20 1 1 A 86 86 GLU CA C 86 58.200 58.875 -0.675 1
1 892 . 20 1 1 A 86 86 GLU CB C 86 29.500 28.824 0.676 1
1 894 . 20 1 1 A 86 86 GLU N N 86 116.700 117.948 -1.248 1
1 895 . 20 1 1 A 87 87 TYR H H 87 8.010 7.380 0.630 1
1 896 . 20 1 1 A 87 87 TYR HA H 87 4.090 4.406 -0.316 1
1 903 . 20 1 1 A 87 87 TYR C C 87 176.000 176.045 -0.045 1
1 904 . 20 1 1 A 87 87 TYR CA C 87 60.100 59.217 0.883 1
1 905 . 20 1 1 A 87 87 TYR CB C 87 37.300 39.805 -2.505 1
1 908 . 20 1 1 A 87 87 TYR N N 87 114.900 116.203 -1.303 1
1 909 . 20 1 1 A 88 88 CYS H H 88 8.300 7.727 0.573 1
1 910 . 20 1 1 A 88 88 CYS HA H 88 4.760 4.894 -0.134 1
1 913 . 20 1 1 A 88 88 CYS CA C 88 53.500 55.010 -1.510 1
1 914 . 20 1 1 A 88 88 CYS CB C 88 42.000 43.269 -1.269 1
1 915 . 20 1 1 A 88 88 CYS N N 88 119.700 117.908 1.792 1
1 916 . 20 1 1 A 89 89 ASN C C 89 176.500 177.340 -0.840 1
1 917 . 20 1 1 A 90 90 PHE HA H 90 4.590 4.181 0.409 1
1 925 . 20 1 1 A 90 90 PHE CA C 90 57.400 60.453 -3.053 1
1 926 . 20 1 1 A 90 90 PHE CB C 90 38.200 39.194 -0.994 1
1 930 . 20 1 1 A 92 92 CYS HA H 92 4.660 5.639 -0.979 1
1 933 . 20 1 1 A 92 92 CYS C C 92 172.000 172.649 -0.649 1
1 934 . 20 1 1 A 92 92 CYS CA C 92 55.000 54.714 0.286 1
1 935 . 20 1 1 A 92 92 CYS CB C 92 47.400 46.410 0.990 1
1 936 . 20 1 1 A 93 93 ALA H H 93 8.670 8.667 0.003 1
1 937 . 20 1 1 A 93 93 ALA HA H 93 4.520 5.031 -0.511 1
1 941 . 20 1 1 A 93 93 ALA C C 93 177.400 177.204 0.196 1
1 942 . 20 1 1 A 93 93 ALA CA C 93 52.400 52.562 -0.162 1
1 943 . 20 1 1 A 93 93 ALA CB C 93 19.800 19.378 0.422 1
1 944 . 20 1 1 A 93 93 ALA N N 93 126.000 124.459 1.541 1
1 945 . 20 1 1 A 94 94 TYR H H 94 8.460 8.653 -0.193 1
1 946 . 20 1 1 A 94 94 TYR HA H 94 5.570 6.102 -0.532 1
1 953 . 20 1 1 A 94 94 TYR C C 94 171.500 173.632 -2.132 1
1 954 . 20 1 1 A 94 94 TYR CA C 94 57.200 56.176 1.024 1
1 955 . 20 1 1 A 94 94 TYR CB C 94 39.800 41.578 -1.778 1
1 958 . 20 1 1 A 94 94 TYR N N 94 116.200 117.638 -1.438 1
1 959 . 20 1 1 A 95 95 PHE H H 95 9.220 8.951 0.269 1
1 960 . 20 1 1 A 95 95 PHE HA H 95 5.280 5.691 -0.411 1
1 967 . 20 1 1 A 95 95 PHE C C 95 172.900 172.976 -0.076 1
1 968 . 20 1 1 A 95 95 PHE CA C 95 55.200 56.172 -0.972 1
1 969 . 20 1 1 A 95 95 PHE CB C 95 42.400 42.204 0.196 1
1 972 . 20 1 1 A 95 95 PHE N N 95 114.100 116.530 -2.430 1
1 973 . 20 1 1 A 96 96 VAL H H 96 9.130 8.902 0.228 1
1 974 . 20 1 1 A 96 96 VAL HA H 96 4.860 5.207 -0.347 1
1 982 . 20 1 1 A 96 96 VAL C C 96 174.800 174.904 -0.104 1
1 983 . 20 1 1 A 96 96 VAL CA C 96 61.400 61.118 0.282 1
1 984 . 20 1 1 A 96 96 VAL CB C 96 35.100 35.375 -0.275 1
1 987 . 20 1 1 A 96 96 VAL N N 96 118.400 120.755 -2.355 1
1 988 . 20 1 1 A 97 97 LEU H H 97 9.610 9.501 0.109 1
1 989 . 20 1 1 A 97 97 LEU HA H 97 5.380 5.416 -0.036 1
1 999 . 20 1 1 A 97 97 LEU C C 97 175.700 175.083 0.617 1
1 1000 . 20 1 1 A 97 97 LEU CA C 97 52.100 53.319 -1.219 1
1 1001 . 20 1 1 A 97 97 LEU CB C 97 44.500 45.077 -0.577 1
1 1005 . 20 1 1 A 97 97 LEU N N 97 126.100 126.854 -0.754 1
1 1006 . 20 1 1 A 98 98 LYS H H 98 9.660 9.093 0.567 1
1 1007 . 20 1 1 A 98 98 LYS HA H 98 4.740 4.711 0.029 1
1 1016 . 20 1 1 A 98 98 LYS C C 98 175.500 175.326 0.174 1
1 1017 . 20 1 1 A 98 98 LYS CA C 98 54.400 54.260 0.140 1
1 1018 . 20 1 1 A 98 98 LYS CB C 98 37.500 35.998 1.502 1
1 1022 . 20 1 1 A 98 98 LYS N N 98 123.900 123.377 0.523 1
1 1023 . 20 1 1 A 99 99 ARG H H 99 8.400 7.922 0.478 1
1 1024 . 20 1 1 A 99 99 ARG HA H 99 4.040 4.324 -0.284 1
1 1031 . 20 1 1 A 99 99 ARG C C 99 174.800 175.911 -1.111 1
1 1032 . 20 1 1 A 99 99 ARG CA C 99 55.500 56.876 -1.376 1
1 1033 . 20 1 1 A 99 99 ARG CB C 99 30.000 30.845 -0.845 1
1 1036 . 20 1 1 A 99 99 ARG N N 99 128.700 127.543 1.157 1
1 1037 . 20 1 1 A 100 100 ILE H H 100 8.660 8.764 -0.104 1
1 1038 . 20 1 1 A 100 100 ILE HA H 100 4.150 4.335 -0.185 1
1 1048 . 20 1 1 A 100 100 ILE CA C 100 59.100 60.386 -1.286 1
1 1049 . 20 1 1 A 100 100 ILE CB C 100 36.300 39.006 -2.706 1
1 1053 . 20 1 1 A 100 100 ILE N N 100 130.500 126.179 4.321 1
1 1054 . 20 1 1 A 101 101 ARG C C 101 177.000 175.595 1.405 1
1 1055 . 20 1 1 A 102 102 LYS C C 102 178.900 175.290 3.610 1
1 1056 . 20 1 1 A 103 103 LEU HA H 103 4.230 4.509 -0.279 1
1 1066 . 20 1 1 A 103 103 LEU CA C 103 54.900 53.933 0.967 1
1 1067 . 20 1 1 A 103 103 LEU CB C 103 42.100 42.490 -0.390 1
1 1071 . 20 1 1 A 104 104 GLU HA H 104 4.010 4.255 -0.245 1
1 1075 . 20 1 1 A 104 104 GLU CA C 104 58.300 56.405 1.895 1
1 1076 . 20 1 1 A 104 104 GLU CB C 104 28.300 30.950 -2.650 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 1.203 1
2 1 1 1 "RMS(OBS, PRED)" CA 87 1.472 1
3 1 1 1 "RMS(OBS, PRED)" CB 82 1.333 1
4 1 1 1 "RMS(OBS, PRED)" H 69 0.767 1
5 1 1 1 "RMS(OBS, PRED)" HA 92 0.422 1
6 1 1 1 "RMS(OBS, PRED)" N 68 2.402 1
7 1 2 1 "RMS(OBS, PRED)" C 71 1.120 1
8 1 2 1 "RMS(OBS, PRED)" CA 87 1.262 1
9 1 2 1 "RMS(OBS, PRED)" CB 82 1.364 1
10 1 2 1 "RMS(OBS, PRED)" H 69 0.746 1
11 1 2 1 "RMS(OBS, PRED)" HA 92 0.421 1
12 1 2 1 "RMS(OBS, PRED)" N 68 2.694 1
13 1 3 1 "RMS(OBS, PRED)" C 71 1.092 1
14 1 3 1 "RMS(OBS, PRED)" CA 87 1.579 1
15 1 3 1 "RMS(OBS, PRED)" CB 82 1.665 1
16 1 3 1 "RMS(OBS, PRED)" H 69 0.770 1
17 1 3 1 "RMS(OBS, PRED)" HA 92 0.452 1
18 1 3 1 "RMS(OBS, PRED)" N 68 2.621 1
19 1 4 1 "RMS(OBS, PRED)" C 71 1.239 1
20 1 4 1 "RMS(OBS, PRED)" CA 87 1.408 1
21 1 4 1 "RMS(OBS, PRED)" CB 82 1.615 1
22 1 4 1 "RMS(OBS, PRED)" H 69 0.744 1
23 1 4 1 "RMS(OBS, PRED)" HA 92 0.434 1
24 1 4 1 "RMS(OBS, PRED)" N 68 2.736 1
25 1 5 1 "RMS(OBS, PRED)" C 71 1.068 1
26 1 5 1 "RMS(OBS, PRED)" CA 87 1.621 1
27 1 5 1 "RMS(OBS, PRED)" CB 82 1.475 1
28 1 5 1 "RMS(OBS, PRED)" H 69 0.721 1
29 1 5 1 "RMS(OBS, PRED)" HA 92 0.462 1
30 1 5 1 "RMS(OBS, PRED)" N 68 2.627 1
31 1 6 1 "RMS(OBS, PRED)" C 71 1.187 1
32 1 6 1 "RMS(OBS, PRED)" CA 87 1.292 1
33 1 6 1 "RMS(OBS, PRED)" CB 82 1.399 1
34 1 6 1 "RMS(OBS, PRED)" H 69 0.805 1
35 1 6 1 "RMS(OBS, PRED)" HA 92 0.415 1
36 1 6 1 "RMS(OBS, PRED)" N 68 2.550 1
37 1 7 1 "RMS(OBS, PRED)" C 71 1.082 1
38 1 7 1 "RMS(OBS, PRED)" CA 87 1.619 1
39 1 7 1 "RMS(OBS, PRED)" CB 82 1.524 1
40 1 7 1 "RMS(OBS, PRED)" H 69 0.720 1
41 1 7 1 "RMS(OBS, PRED)" HA 92 0.450 1
42 1 7 1 "RMS(OBS, PRED)" N 68 2.615 1
43 1 8 1 "RMS(OBS, PRED)" C 71 1.128 1
44 1 8 1 "RMS(OBS, PRED)" CA 87 1.459 1
45 1 8 1 "RMS(OBS, PRED)" CB 82 1.506 1
46 1 8 1 "RMS(OBS, PRED)" H 69 0.758 1
47 1 8 1 "RMS(OBS, PRED)" HA 92 0.464 1
48 1 8 1 "RMS(OBS, PRED)" N 68 2.615 1
49 1 9 1 "RMS(OBS, PRED)" C 71 1.069 1
50 1 9 1 "RMS(OBS, PRED)" CA 87 1.527 1
51 1 9 1 "RMS(OBS, PRED)" CB 82 1.497 1
52 1 9 1 "RMS(OBS, PRED)" H 69 0.769 1
53 1 9 1 "RMS(OBS, PRED)" HA 92 0.476 1
54 1 9 1 "RMS(OBS, PRED)" N 68 2.559 1
55 1 10 1 "RMS(OBS, PRED)" C 71 1.075 1
56 1 10 1 "RMS(OBS, PRED)" CA 87 1.347 1
57 1 10 1 "RMS(OBS, PRED)" CB 82 1.511 1
58 1 10 1 "RMS(OBS, PRED)" H 69 0.727 1
59 1 10 1 "RMS(OBS, PRED)" HA 92 0.444 1
60 1 10 1 "RMS(OBS, PRED)" N 68 2.555 1
61 1 11 1 "RMS(OBS, PRED)" C 71 1.258 1
62 1 11 1 "RMS(OBS, PRED)" CA 87 1.498 1
63 1 11 1 "RMS(OBS, PRED)" CB 82 1.761 1
64 1 11 1 "RMS(OBS, PRED)" H 69 0.738 1
65 1 11 1 "RMS(OBS, PRED)" HA 92 0.448 1
66 1 11 1 "RMS(OBS, PRED)" N 68 2.471 1
67 1 12 1 "RMS(OBS, PRED)" C 71 1.182 1
68 1 12 1 "RMS(OBS, PRED)" CA 87 1.563 1
69 1 12 1 "RMS(OBS, PRED)" CB 82 1.591 1
70 1 12 1 "RMS(OBS, PRED)" H 69 0.786 1
71 1 12 1 "RMS(OBS, PRED)" HA 92 0.452 1
72 1 12 1 "RMS(OBS, PRED)" N 68 2.661 1
73 1 13 1 "RMS(OBS, PRED)" C 71 1.116 1
74 1 13 1 "RMS(OBS, PRED)" CA 87 1.553 1
75 1 13 1 "RMS(OBS, PRED)" CB 82 1.612 1
76 1 13 1 "RMS(OBS, PRED)" H 69 0.773 1
77 1 13 1 "RMS(OBS, PRED)" HA 92 0.400 1
78 1 13 1 "RMS(OBS, PRED)" N 68 2.603 1
79 1 14 1 "RMS(OBS, PRED)" C 71 1.106 1
80 1 14 1 "RMS(OBS, PRED)" CA 87 1.446 1
81 1 14 1 "RMS(OBS, PRED)" CB 82 1.660 1
82 1 14 1 "RMS(OBS, PRED)" H 69 0.727 1
83 1 14 1 "RMS(OBS, PRED)" HA 92 0.442 1
84 1 14 1 "RMS(OBS, PRED)" N 68 2.904 1
85 1 15 1 "RMS(OBS, PRED)" C 71 1.035 1
86 1 15 1 "RMS(OBS, PRED)" CA 87 1.402 1
87 1 15 1 "RMS(OBS, PRED)" CB 82 1.343 1
88 1 15 1 "RMS(OBS, PRED)" H 69 0.712 1
89 1 15 1 "RMS(OBS, PRED)" HA 92 0.442 1
90 1 15 1 "RMS(OBS, PRED)" N 68 2.660 1
91 1 16 1 "RMS(OBS, PRED)" C 71 1.116 1
92 1 16 1 "RMS(OBS, PRED)" CA 87 1.358 1
93 1 16 1 "RMS(OBS, PRED)" CB 82 1.496 1
94 1 16 1 "RMS(OBS, PRED)" H 69 0.766 1
95 1 16 1 "RMS(OBS, PRED)" HA 92 0.444 1
96 1 16 1 "RMS(OBS, PRED)" N 68 2.672 1
97 1 17 1 "RMS(OBS, PRED)" C 71 1.021 1
98 1 17 1 "RMS(OBS, PRED)" CA 87 1.278 1
99 1 17 1 "RMS(OBS, PRED)" CB 82 1.415 1
100 1 17 1 "RMS(OBS, PRED)" H 69 0.751 1
101 1 17 1 "RMS(OBS, PRED)" HA 92 0.430 1
102 1 17 1 "RMS(OBS, PRED)" N 68 2.452 1
103 1 18 1 "RMS(OBS, PRED)" C 71 1.066 1
104 1 18 1 "RMS(OBS, PRED)" CA 87 1.251 1
105 1 18 1 "RMS(OBS, PRED)" CB 82 1.501 1
106 1 18 1 "RMS(OBS, PRED)" H 69 0.690 1
107 1 18 1 "RMS(OBS, PRED)" HA 92 0.437 1
108 1 18 1 "RMS(OBS, PRED)" N 68 2.349 1
109 1 19 1 "RMS(OBS, PRED)" C 71 1.107 1
110 1 19 1 "RMS(OBS, PRED)" CA 87 1.374 1
111 1 19 1 "RMS(OBS, PRED)" CB 82 1.589 1
112 1 19 1 "RMS(OBS, PRED)" H 69 0.716 1
113 1 19 1 "RMS(OBS, PRED)" HA 92 0.446 1
114 1 19 1 "RMS(OBS, PRED)" N 68 2.760 1
115 1 20 1 "RMS(OBS, PRED)" C 71 1.103 1
116 1 20 1 "RMS(OBS, PRED)" CA 87 1.432 1
117 1 20 1 "RMS(OBS, PRED)" CB 82 1.520 1
118 1 20 1 "RMS(OBS, PRED)" H 69 0.762 1
119 1 20 1 "RMS(OBS, PRED)" HA 92 0.430 1
120 1 20 1 "RMS(OBS, PRED)" N 68 2.622 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 10 10 GLU HA H 10 4.230 4.335 -0.105 2
1 6 . 1 1 A 10 10 GLU C C 10 176.100 175.614 0.486 2
1 7 . 1 1 A 10 10 GLU CA C 10 56.800 58.292 -1.492 2
1 8 . 1 1 A 10 10 GLU CB C 10 30.400 30.856 -0.456 2
1 10 . 1 1 A 11 11 ILE H H 11 8.270 8.053 0.217 2
1 11 . 1 1 A 11 11 ILE HA H 11 4.100 4.299 -0.199 2
1 21 . 1 1 A 11 11 ILE C C 11 173.900 174.559 -0.659 2
1 22 . 1 1 A 11 11 ILE CA C 11 60.900 60.784 0.116 2
1 23 . 1 1 A 11 11 ILE CB C 11 38.300 39.080 -0.780 2
1 27 . 1 1 A 11 11 ILE N N 11 121.800 118.909 2.891 2
1 28 . 1 1 A 12 12 MET H H 12 8.150 8.746 -0.596 2
1 29 . 1 1 A 12 12 MET HA H 12 5.250 5.270 -0.020 2
1 37 . 1 1 A 12 12 MET C C 12 175.500 175.239 0.261 2
1 38 . 1 1 A 12 12 MET CA C 12 53.100 53.884 -0.784 2
1 39 . 1 1 A 12 12 MET CB C 12 33.600 33.936 -0.336 2
1 42 . 1 1 A 12 12 MET N N 12 125.200 125.761 -0.561 2
1 43 . 1 1 A 13 13 ILE H H 13 9.200 9.476 -0.276 2
1 44 . 1 1 A 13 13 ILE HA H 13 4.400 4.712 -0.312 2
1 54 . 1 1 A 13 13 ILE C C 13 173.500 174.760 -1.260 2
1 55 . 1 1 A 13 13 ILE CA C 13 59.600 60.636 -1.036 2
1 56 . 1 1 A 13 13 ILE CB C 13 40.500 38.828 1.672 2
1 60 . 1 1 A 13 13 ILE N N 13 123.700 125.076 -1.375 2
1 61 . 1 1 A 14 14 LEU H H 14 8.550 9.197 -0.647 2
1 62 . 1 1 A 14 14 LEU HA H 14 5.200 5.313 -0.113 2
1 72 . 1 1 A 14 14 LEU C C 14 176.100 175.867 0.233 2
1 73 . 1 1 A 14 14 LEU CA C 14 53.700 53.694 0.006 2
1 74 . 1 1 A 14 14 LEU CB C 14 43.700 42.342 1.358 2
1 78 . 1 1 A 14 14 LEU N N 14 128.800 128.581 0.219 2
1 79 . 1 1 A 15 15 ILE H H 15 8.780 9.008 -0.228 2
1 80 . 1 1 A 15 15 ILE HA H 15 4.350 4.520 -0.170 2
1 90 . 1 1 A 15 15 ILE CA C 15 58.700 60.066 -1.366 2
1 91 . 1 1 A 15 15 ILE CB C 15 39.800 40.955 -1.155 2
1 95 . 1 1 A 15 15 ILE N N 15 123.000 124.309 -1.309 2
1 96 . 1 1 A 16 16 GLN HA H 16 3.710 4.083 -0.373 2
1 100 . 1 1 A 16 16 GLN CA C 16 57.700 57.447 0.253 2
1 101 . 1 1 A 16 16 GLN CB C 16 26.500 27.169 -0.669 2
1 103 . 1 1 A 17 17 ASN HA H 17 4.460 4.294 0.166 2
1 108 . 1 1 A 17 17 ASN C C 17 173.300 173.793 -0.493 2
1 109 . 1 1 A 17 17 ASN CA C 17 53.900 54.781 -0.881 2
1 110 . 1 1 A 17 17 ASN CB C 17 38.100 37.116 0.984 2
1 112 . 1 1 A 18 18 ALA H H 18 8.450 7.700 0.750 2
1 113 . 1 1 A 18 18 ALA HA H 18 4.250 4.704 -0.453 2
1 117 . 1 1 A 18 18 ALA C C 18 174.000 175.098 -1.098 2
1 118 . 1 1 A 18 18 ALA CA C 18 51.600 50.488 1.112 2
1 119 . 1 1 A 18 18 ALA CB C 18 20.500 21.845 -1.345 2
1 120 . 1 1 A 18 18 ALA N N 18 125.200 119.881 5.319 2
1 121 . 1 1 A 19 19 GLU H H 19 7.930 8.613 -0.683 2
1 122 . 1 1 A 19 19 GLU HA H 19 5.000 4.862 0.138 2
1 127 . 1 1 A 19 19 GLU C C 19 174.500 175.099 -0.599 2
1 128 . 1 1 A 19 19 GLU CA C 19 54.400 54.935 -0.535 2
1 129 . 1 1 A 19 19 GLU CB C 19 32.500 31.468 1.032 2
1 131 . 1 1 A 19 19 GLU N N 19 121.700 122.910 -1.210 2
1 132 . 1 1 A 20 20 PHE H H 20 9.110 9.188 -0.078 2
1 133 . 1 1 A 20 20 PHE HA H 20 5.340 5.507 -0.167 2
1 141 . 1 1 A 20 20 PHE C C 20 173.900 174.331 -0.431 2
1 142 . 1 1 A 20 20 PHE CA C 20 55.800 56.680 -0.880 2
1 143 . 1 1 A 20 20 PHE CB C 20 44.800 43.581 1.219 2
1 147 . 1 1 A 20 20 PHE N N 20 120.100 125.040 -4.940 2
1 148 . 1 1 A 21 21 GLU H H 21 9.200 8.974 0.226 2
1 149 . 1 1 A 21 21 GLU HA H 21 5.040 5.154 -0.114 2
1 154 . 1 1 A 21 21 GLU C C 21 176.200 174.706 1.494 2
1 155 . 1 1 A 21 21 GLU CA C 21 53.700 54.700 -1.000 2
1 156 . 1 1 A 21 21 GLU CB C 21 33.600 33.389 0.211 2
1 158 . 1 1 A 21 21 GLU N N 21 120.800 119.093 1.707 2
1 159 . 1 1 A 22 22 LEU H H 22 8.590 8.599 -0.009 2
1 160 . 1 1 A 22 22 LEU HA H 22 4.420 4.344 0.076 2
1 170 . 1 1 A 22 22 LEU C C 22 175.200 176.931 -1.731 2
1 171 . 1 1 A 22 22 LEU CA C 22 54.900 54.729 0.171 2
1 172 . 1 1 A 22 22 LEU CB C 22 41.000 41.656 -0.656 2
1 176 . 1 1 A 22 22 LEU N N 22 127.900 125.267 2.633 2
1 177 . 1 1 A 23 23 VAL H H 23 8.350 8.689 -0.339 2
1 178 . 1 1 A 23 23 VAL HA H 23 4.460 4.316 0.144 2
1 186 . 1 1 A 23 23 VAL C C 23 175.500 175.797 -0.297 2
1 187 . 1 1 A 23 23 VAL CA C 23 62.100 62.761 -0.661 2
1 188 . 1 1 A 23 23 VAL CB C 23 32.600 32.740 -0.140 2
1 191 . 1 1 A 23 23 VAL N N 23 122.700 122.028 0.672 2
1 192 . 1 1 A 24 24 HIS H H 24 7.590 7.258 0.332 2
1 193 . 1 1 A 24 24 HIS HA H 24 4.750 4.867 -0.117 2
1 197 . 1 1 A 24 24 HIS CA C 24 56.800 55.914 0.886 2
1 198 . 1 1 A 24 24 HIS CB C 24 34.800 33.094 1.706 2
1 200 . 1 1 A 24 24 HIS N N 24 118.300 120.674 -2.373 2
1 201 . 1 1 A 25 25 ASN HA H 25 5.070 5.347 -0.277 2
1 206 . 1 1 A 25 25 ASN C C 25 172.500 173.181 -0.681 2
1 207 . 1 1 A 25 25 ASN CA C 25 52.000 52.170 -0.170 2
1 208 . 1 1 A 25 25 ASN CB C 25 40.400 42.165 -1.765 2
1 210 . 1 1 A 26 26 PHE H H 26 9.000 8.895 0.106 2
1 211 . 1 1 A 26 26 PHE HA H 26 4.540 4.695 -0.155 2
1 219 . 1 1 A 26 26 PHE C C 26 174.500 174.876 -0.376 2
1 220 . 1 1 A 26 26 PHE CA C 26 57.100 57.291 -0.191 2
1 221 . 1 1 A 26 26 PHE CB C 26 40.900 41.531 -0.631 2
1 225 . 1 1 A 26 26 PHE N N 26 128.200 126.481 1.719 2
1 226 . 1 1 A 27 27 LYS H H 27 8.700 9.075 -0.375 2
1 227 . 1 1 A 27 27 LYS HA H 27 3.290 3.725 -0.435 2
1 236 . 1 1 A 27 27 LYS C C 27 174.500 175.336 -0.836 2
1 237 . 1 1 A 27 27 LYS CA C 27 56.800 57.202 -0.402 2
1 238 . 1 1 A 27 27 LYS CB C 27 29.500 30.512 -1.012 2
1 242 . 1 1 A 27 27 LYS N N 27 126.000 127.127 -1.127 2
1 243 . 1 1 A 28 28 ASP H H 28 8.560 8.404 0.156 2
1 244 . 1 1 A 28 28 ASP HA H 28 4.080 4.338 -0.258 2
1 247 . 1 1 A 28 28 ASP C C 28 174.700 176.959 -2.259 2
1 248 . 1 1 A 28 28 ASP CA C 28 54.800 55.556 -0.756 2
1 249 . 1 1 A 28 28 ASP CB C 28 39.100 39.090 0.010 2
1 250 . 1 1 A 28 28 ASP N N 28 112.300 112.507 -0.207 2
1 251 . 1 1 A 29 29 GLY H H 29 7.160 7.853 -0.693 2
1 252 . 1 1 A 29 29 GLY HA2 H 29 3.490 3.881 -0.391 2
1 253 . 1 1 A 29 29 GLY HA3 H 29 3.780 4.155 -0.375 2
1 254 . 1 1 A 29 29 GLY C C 29 174.800 174.752 0.048 2
1 255 . 1 1 A 29 29 GLY CA C 29 47.600 46.371 1.229 2
1 256 . 1 1 A 29 29 GLY N N 29 101.900 106.143 -4.243 2
1 257 . 1 1 A 30 30 PHE H H 30 9.400 7.703 1.697 2
1 258 . 1 1 A 30 30 PHE HA H 30 3.380 3.851 -0.471 2
1 266 . 1 1 A 30 30 PHE CA C 30 60.700 57.662 3.038 2
1 267 . 1 1 A 30 30 PHE CB C 30 37.700 38.985 -1.285 2
1 271 . 1 1 A 30 30 PHE N N 30 120.800 121.622 -0.822 2
1 272 . 1 1 A 31 31 ASN H H 31 5.090 8.057 -2.967 2
1 273 . 1 1 A 31 31 ASN HA H 31 4.220 4.742 -0.522 2
1 276 . 1 1 A 31 31 ASN CA C 31 52.400 51.741 0.659 2
1 277 . 1 1 A 31 31 ASN CB C 31 41.100 39.801 1.299 2
1 278 . 1 1 A 31 31 ASN N N 31 125.400 125.329 0.071 2
1 279 . 1 1 A 32 32 GLU HA H 32 3.290 3.475 -0.185 2
1 284 . 1 1 A 32 32 GLU C C 32 176.900 177.973 -1.073 2
1 285 . 1 1 A 32 32 GLU CA C 32 60.600 59.773 0.827 2
1 286 . 1 1 A 32 32 GLU CB C 32 29.500 29.380 0.120 2
1 288 . 1 1 A 33 33 GLU H H 33 8.320 8.305 0.015 2
1 289 . 1 1 A 33 33 GLU HA H 33 3.880 4.063 -0.183 2
1 294 . 1 1 A 33 33 GLU C C 33 179.300 178.663 0.637 2
1 295 . 1 1 A 33 33 GLU CA C 33 59.600 59.267 0.333 2
1 296 . 1 1 A 33 33 GLU CB C 33 28.700 29.304 -0.604 2
1 298 . 1 1 A 33 33 GLU N N 33 119.000 117.540 1.460 2
1 299 . 1 1 A 34 34 ALA H H 34 8.330 7.740 0.590 2
1 300 . 1 1 A 34 34 ALA HA H 34 4.130 4.136 -0.006 2
1 304 . 1 1 A 34 34 ALA C C 34 179.600 179.655 -0.055 2
1 305 . 1 1 A 34 34 ALA CA C 34 54.400 54.983 -0.583 2
1 306 . 1 1 A 34 34 ALA CB C 34 18.400 18.443 -0.043 2
1 307 . 1 1 A 34 34 ALA N N 34 122.200 122.242 -0.042 2
1 308 . 1 1 A 35 35 PHE H H 35 8.040 8.279 -0.239 2
1 309 . 1 1 A 35 35 PHE HA H 35 4.020 4.198 -0.178 2
1 317 . 1 1 A 35 35 PHE C C 35 176.100 177.511 -1.410 2
1 318 . 1 1 A 35 35 PHE CA C 35 61.000 61.301 -0.301 2
1 319 . 1 1 A 35 35 PHE CB C 35 39.000 39.336 -0.336 2
1 323 . 1 1 A 35 35 PHE N N 35 117.100 120.254 -3.154 2
1 324 . 1 1 A 36 36 LYS H H 36 8.490 8.575 -0.085 2
1 325 . 1 1 A 36 36 LYS HA H 36 3.320 3.908 -0.588 2
1 334 . 1 1 A 36 36 LYS C C 36 178.000 178.387 -0.387 2
1 335 . 1 1 A 36 36 LYS CA C 36 59.800 58.732 1.068 2
1 336 . 1 1 A 36 36 LYS CB C 36 32.100 31.642 0.458 2
1 340 . 1 1 A 36 36 LYS N N 36 118.100 118.367 -0.267 2
1 341 . 1 1 A 37 37 ALA H H 37 7.450 7.676 -0.226 2
1 342 . 1 1 A 37 37 ALA HA H 37 4.130 4.130 0.000 2
1 346 . 1 1 A 37 37 ALA C C 37 178.500 178.575 -0.075 2
1 347 . 1 1 A 37 37 ALA CA C 37 53.600 54.374 -0.774 2
1 348 . 1 1 A 37 37 ALA CB C 37 18.500 18.480 0.020 2
1 349 . 1 1 A 37 37 ALA N N 37 117.700 121.694 -3.994 2
1 350 . 1 1 A 38 38 ARG H H 38 7.160 7.440 -0.280 2
1 351 . 1 1 A 38 38 ARG HA H 38 4.340 4.372 -0.032 2
1 358 . 1 1 A 38 38 ARG C C 38 175.400 175.673 -0.273 2
1 359 . 1 1 A 38 38 ARG CA C 38 54.200 55.686 -1.486 2
1 360 . 1 1 A 38 38 ARG CB C 38 31.400 31.092 0.308 2
1 363 . 1 1 A 38 38 ARG N N 38 114.800 115.150 -0.350 2
1 364 . 1 1 A 39 39 TYR H H 39 7.510 7.453 0.057 2
1 365 . 1 1 A 39 39 TYR HA H 39 3.350 4.202 -0.852 2
1 372 . 1 1 A 39 39 TYR C C 39 173.700 174.844 -1.144 2
1 373 . 1 1 A 39 39 TYR CA C 39 60.800 59.282 1.518 2
1 374 . 1 1 A 39 39 TYR CB C 39 38.000 38.825 -0.825 2
1 377 . 1 1 A 39 39 TYR N N 39 122.600 122.853 -0.253 2
1 378 . 1 1 A 40 40 SER H H 40 5.730 7.937 -2.207 2
1 379 . 1 1 A 40 40 SER HA H 40 4.470 4.718 -0.248 2
1 382 . 1 1 A 40 40 SER CA C 40 56.100 56.486 -0.386 2
1 383 . 1 1 A 40 40 SER CB C 40 65.100 65.257 -0.157 2
1 384 . 1 1 A 40 40 SER N N 40 119.100 122.775 -3.675 2
1 385 . 1 1 A 41 41 ASP HA H 41 4.210 4.239 -0.029 2
1 388 . 1 1 A 41 41 ASP CA C 41 56.700 57.175 -0.475 2
1 389 . 1 1 A 41 41 ASP CB C 41 40.500 40.316 0.184 2
1 390 . 1 1 A 42 42 ILE HA H 42 4.030 3.827 0.203 2
1 400 . 1 1 A 42 42 ILE C C 42 176.600 177.846 -1.246 2
1 401 . 1 1 A 42 42 ILE CA C 42 63.200 63.240 -0.040 2
1 402 . 1 1 A 42 42 ILE CB C 42 37.600 37.565 0.035 2
1 406 . 1 1 A 43 43 LEU H H 43 7.700 7.813 -0.113 2
1 407 . 1 1 A 43 43 LEU HA H 43 4.560 4.348 0.212 2
1 417 . 1 1 A 43 43 LEU C C 43 178.000 179.336 -1.336 2
1 418 . 1 1 A 43 43 LEU CA C 43 54.700 57.038 -2.338 2
1 419 . 1 1 A 43 43 LEU CB C 43 40.800 41.260 -0.460 2
1 423 . 1 1 A 43 43 LEU N N 43 117.500 120.684 -3.184 2
1 424 . 1 1 A 44 44 ASN H H 44 7.870 8.244 -0.374 2
1 425 . 1 1 A 44 44 ASN HA H 44 4.480 4.824 -0.344 2
1 428 . 1 1 A 44 44 ASN CA C 44 55.300 56.246 -0.946 2
1 429 . 1 1 A 44 44 ASN CB C 44 38.200 39.348 -1.148 2
1 430 . 1 1 A 44 44 ASN N N 44 118.400 118.292 0.108 2
1 431 . 1 1 A 45 45 LYS HA H 45 4.200 4.121 0.079 2
1 440 . 1 1 A 45 45 LYS C C 45 176.200 177.921 -1.721 2
1 441 . 1 1 A 45 45 LYS CA C 45 56.500 58.532 -2.032 2
1 442 . 1 1 A 45 45 LYS CB C 45 32.000 31.644 0.356 2
1 446 . 1 1 A 46 46 TYR H H 46 6.770 7.531 -0.761 2
1 447 . 1 1 A 46 46 TYR HA H 46 3.900 4.212 -0.312 2
1 454 . 1 1 A 46 46 TYR C C 46 175.500 175.300 0.200 2
1 455 . 1 1 A 46 46 TYR CA C 46 59.200 59.210 -0.010 2
1 456 . 1 1 A 46 46 TYR CB C 46 38.700 38.677 0.023 2
1 459 . 1 1 A 46 46 TYR N N 46 117.400 117.836 -0.436 2
1 460 . 1 1 A 47 47 ASP H H 47 7.540 8.075 -0.535 2
1 461 . 1 1 A 47 47 ASP HA H 47 4.880 4.421 0.459 2
1 464 . 1 1 A 47 47 ASP C C 47 175.100 174.194 0.906 2
1 465 . 1 1 A 47 47 ASP CA C 47 56.100 55.687 0.413 2
1 466 . 1 1 A 47 47 ASP CB C 47 43.100 39.645 3.455 2
1 467 . 1 1 A 47 47 ASP N N 47 118.300 117.750 0.550 2
1 468 . 1 1 A 48 48 TYR H H 48 8.640 8.102 0.538 2
1 469 . 1 1 A 48 48 TYR HA H 48 5.670 5.532 0.138 2
1 476 . 1 1 A 48 48 TYR C C 48 174.700 174.865 -0.165 2
1 477 . 1 1 A 48 48 TYR CA C 48 55.900 56.820 -0.920 2
1 478 . 1 1 A 48 48 TYR CB C 48 43.500 41.918 1.582 2
1 481 . 1 1 A 48 48 TYR N N 48 116.700 118.715 -2.015 2
1 482 . 1 1 A 49 49 ILE H H 49 9.130 9.262 -0.132 2
1 483 . 1 1 A 49 49 ILE HA H 49 4.660 4.868 -0.208 2
1 493 . 1 1 A 49 49 ILE C C 49 173.900 174.874 -0.974 2
1 494 . 1 1 A 49 49 ILE CA C 49 59.400 60.053 -0.653 2
1 495 . 1 1 A 49 49 ILE CB C 49 40.700 40.028 0.672 2
1 499 . 1 1 A 49 49 ILE N N 49 119.500 124.044 -4.544 2
1 500 . 1 1 A 50 50 VAL H H 50 9.220 9.114 0.106 2
1 501 . 1 1 A 50 50 VAL HA H 50 4.860 4.997 -0.137 2
1 509 . 1 1 A 50 50 VAL C C 50 175.200 174.834 0.366 2
1 510 . 1 1 A 50 50 VAL CA C 50 60.100 60.664 -0.564 2
1 511 . 1 1 A 50 50 VAL CB C 50 33.400 33.867 -0.467 2
1 514 . 1 1 A 50 50 VAL N N 50 128.600 128.983 -0.383 2
1 515 . 1 1 A 51 51 GLY H H 51 7.860 8.329 -0.469 2
1 516 . 1 1 A 51 51 GLY HA2 H 51 5.420 3.427 1.993 2
1 517 . 1 1 A 51 51 GLY HA3 H 51 2.080 3.952 -1.872 2
1 518 . 1 1 A 51 51 GLY C C 51 170.700 171.842 -1.142 2
1 519 . 1 1 A 51 51 GLY CA C 51 43.600 44.190 -0.590 2
1 520 . 1 1 A 51 51 GLY N N 51 116.100 114.810 1.290 2
1 521 . 1 1 A 52 52 ASP H H 52 8.940 8.696 0.244 2
1 522 . 1 1 A 52 52 ASP HA H 52 5.540 5.496 0.044 2
1 525 . 1 1 A 52 52 ASP C C 52 174.200 175.980 -1.780 2
1 526 . 1 1 A 52 52 ASP CA C 52 53.000 52.513 0.487 2
1 527 . 1 1 A 52 52 ASP CB C 52 47.100 43.441 3.659 2
1 528 . 1 1 A 52 52 ASP N N 52 121.200 122.084 -0.884 2
1 529 . 1 1 A 53 53 TRP H H 53 7.980 8.899 -0.919 2
1 530 . 1 1 A 53 53 TRP HA H 53 4.950 4.828 0.122 2
1 539 . 1 1 A 53 53 TRP C C 53 178.500 177.372 1.128 2
1 540 . 1 1 A 53 53 TRP CA C 53 56.200 58.064 -1.864 2
1 541 . 1 1 A 53 53 TRP CB C 53 28.500 29.634 -1.134 2
1 547 . 1 1 A 53 53 TRP N N 53 119.900 122.514 -2.614 2
1 549 . 1 1 A 54 54 GLY H H 54 10.320 8.339 1.981 2
1 550 . 1 1 A 54 54 GLY HA2 H 54 4.020 3.832 0.188 2
1 551 . 1 1 A 54 54 GLY HA3 H 54 4.020 3.918 0.102 2
1 552 . 1 1 A 54 54 GLY CA C 54 48.600 47.299 1.301 2
1 553 . 1 1 A 54 54 GLY N N 54 115.400 108.930 6.470 2
1 554 . 1 1 A 55 55 TYR HA H 55 4.890 4.634 0.256 2
1 561 . 1 1 A 55 55 TYR CA C 55 56.800 59.152 -2.352 2
1 562 . 1 1 A 55 55 TYR CB C 55 38.100 39.111 -1.011 2
1 565 . 1 1 A 56 56 GLY HA2 H 56 3.850 4.018 -0.168 2
1 566 . 1 1 A 56 56 GLY HA3 H 56 4.360 4.161 0.199 2
1 567 . 1 1 A 56 56 GLY C C 56 173.100 174.410 -1.310 2
1 568 . 1 1 A 56 56 GLY CA C 56 45.600 45.730 -0.130 2
1 569 . 1 1 A 57 57 GLN H H 57 7.380 7.920 -0.540 2
1 570 . 1 1 A 57 57 GLN HA H 57 4.660 4.563 0.097 2
1 576 . 1 1 A 57 57 GLN C C 57 173.800 174.938 -1.138 2
1 577 . 1 1 A 57 57 GLN CA C 57 53.400 55.016 -1.616 2
1 578 . 1 1 A 57 57 GLN CB C 57 31.600 29.666 1.934 2
1 580 . 1 1 A 57 57 GLN N N 57 116.300 120.050 -3.750 2
1 582 . 1 1 A 58 58 LEU H H 58 8.100 8.352 -0.252 2
1 583 . 1 1 A 58 58 LEU HA H 58 3.250 4.255 -1.005 2
1 593 . 1 1 A 58 58 LEU C C 58 174.200 175.172 -0.972 2
1 594 . 1 1 A 58 58 LEU CA C 58 55.500 54.899 0.601 2
1 595 . 1 1 A 58 58 LEU CB C 58 39.900 41.794 -1.894 2
1 599 . 1 1 A 58 58 LEU N N 58 124.400 126.880 -2.480 2
1 600 . 1 1 A 59 59 ARG H H 59 8.360 8.623 -0.263 2
1 601 . 1 1 A 59 59 ARG HA H 59 4.470 4.882 -0.412 2
1 608 . 1 1 A 59 59 ARG C C 59 174.000 174.581 -0.581 2
1 609 . 1 1 A 59 59 ARG CA C 59 54.200 54.468 -0.268 2
1 610 . 1 1 A 59 59 ARG CB C 59 33.000 33.163 -0.163 2
1 613 . 1 1 A 59 59 ARG N N 59 130.500 127.012 3.488 2
1 614 . 1 1 A 60 60 LEU H H 60 8.480 8.887 -0.407 2
1 615 . 1 1 A 60 60 LEU HA H 60 5.260 4.969 0.291 2
1 625 . 1 1 A 60 60 LEU C C 60 176.000 175.200 0.800 2
1 626 . 1 1 A 60 60 LEU CA C 60 52.500 53.698 -1.198 2
1 627 . 1 1 A 60 60 LEU CB C 60 44.200 42.837 1.363 2
1 631 . 1 1 A 60 60 LEU N N 60 122.400 126.157 -3.757 2
1 632 . 1 1 A 61 61 LYS H H 61 8.900 9.150 -0.250 2
1 633 . 1 1 A 61 61 LYS HA H 61 4.160 4.722 -0.562 2
1 642 . 1 1 A 61 61 LYS C C 61 174.200 175.275 -1.075 2
1 643 . 1 1 A 61 61 LYS CA C 61 54.800 54.101 0.699 2
1 644 . 1 1 A 61 61 LYS CB C 61 36.600 34.969 1.631 2
1 648 . 1 1 A 61 61 LYS N N 61 123.800 125.138 -1.338 2
1 649 . 1 1 A 62 62 GLY H H 62 8.140 8.313 -0.173 2
1 650 . 1 1 A 62 62 GLY HA2 H 62 4.160 2.997 1.163 2
1 651 . 1 1 A 62 62 GLY HA3 H 62 4.160 3.789 0.371 2
1 652 . 1 1 A 62 62 GLY C C 62 172.000 171.965 0.035 2
1 653 . 1 1 A 62 62 GLY CA C 62 43.000 43.940 -0.940 2
1 654 . 1 1 A 62 62 GLY N N 62 114.000 112.085 1.915 2
1 655 . 1 1 A 63 63 PHE H H 63 8.500 8.526 -0.026 2
1 656 . 1 1 A 63 63 PHE HA H 63 4.800 4.996 -0.196 2
1 664 . 1 1 A 63 63 PHE C C 63 175.400 174.503 0.897 2
1 665 . 1 1 A 63 63 PHE CA C 63 55.800 56.260 -0.460 2
1 666 . 1 1 A 63 63 PHE CB C 63 46.200 43.576 2.624 2
1 670 . 1 1 A 63 63 PHE N N 63 118.600 121.371 -2.771 2
1 671 . 1 1 A 64 64 PHE H H 64 9.930 8.942 0.988 2
1 672 . 1 1 A 64 64 PHE HA H 64 5.460 5.220 0.240 2
1 679 . 1 1 A 64 64 PHE C C 64 175.600 175.114 0.486 2
1 680 . 1 1 A 64 64 PHE CA C 64 57.500 57.155 0.345 2
1 681 . 1 1 A 64 64 PHE CB C 64 43.100 42.161 0.939 2
1 684 . 1 1 A 64 64 PHE N N 64 120.100 119.167 0.933 2
1 685 . 1 1 A 65 65 ASP H H 65 10.950 8.909 2.041 2
1 686 . 1 1 A 65 65 ASP HA H 65 4.860 4.535 0.325 2
1 689 . 1 1 A 65 65 ASP C C 65 177.400 175.775 1.625 2
1 690 . 1 1 A 65 65 ASP CA C 65 56.400 54.603 1.797 2
1 691 . 1 1 A 65 65 ASP CB C 65 42.800 41.034 1.766 2
1 692 . 1 1 A 65 65 ASP N N 65 123.200 121.581 1.619 2
1 693 . 1 1 A 66 66 ASP H H 66 8.470 8.859 -0.389 2
1 694 . 1 1 A 66 66 ASP HA H 66 4.110 4.742 -0.632 2
1 697 . 1 1 A 66 66 ASP C C 66 175.300 176.189 -0.889 2
1 698 . 1 1 A 66 66 ASP CA C 66 57.800 55.237 2.563 2
1 699 . 1 1 A 66 66 ASP CB C 66 42.000 42.260 -0.260 2
1 700 . 1 1 A 66 66 ASP N N 66 122.800 124.358 -1.558 2
1 701 . 1 1 A 67 67 GLN H H 67 8.500 8.004 0.496 2
1 702 . 1 1 A 67 67 GLN HA H 67 4.250 4.333 -0.083 2
1 707 . 1 1 A 67 67 GLN C C 67 175.900 175.477 0.423 2
1 708 . 1 1 A 67 67 GLN CA C 67 55.400 55.926 -0.527 2
1 709 . 1 1 A 67 67 GLN CB C 67 28.300 27.819 0.481 2
1 711 . 1 1 A 68 68 ASN H H 68 7.880 8.440 -0.560 2
1 712 . 1 1 A 68 68 ASN HA H 68 4.430 4.797 -0.367 2
1 714 . 1 1 A 68 68 ASN CA C 68 53.300 53.566 -0.266 2
1 715 . 1 1 A 68 68 ASN CB C 68 39.300 38.488 0.812 2
1 716 . 1 1 A 68 68 ASN N N 68 121.500 120.556 0.944 2
1 722 . 1 1 A 73 73 PHE HA H 73 4.190 4.832 -0.642 2
1 730 . 1 1 A 73 73 PHE CA C 73 61.300 57.011 4.289 2
1 731 . 1 1 A 73 73 PHE CB C 73 38.600 40.361 -1.761 2
1 735 . 1 1 A 74 74 GLU HA H 74 4.290 4.325 -0.035 2
1 738 . 1 1 A 74 74 GLU CA C 74 56.800 57.719 -0.919 2
1 739 . 1 1 A 74 74 GLU CB C 74 29.900 29.764 0.136 2
1 741 . 1 1 A 75 75 THR HA H 75 4.180 4.628 -0.448 2
1 746 . 1 1 A 75 75 THR C C 75 174.100 173.896 0.204 2
1 747 . 1 1 A 75 75 THR CA C 75 60.700 61.938 -1.238 2
1 748 . 1 1 A 75 75 THR CB C 75 69.800 69.368 0.432 2
1 750 . 1 1 A 76 76 LYS HA H 76 3.880 4.630 -0.750 2
1 759 . 1 1 A 76 76 LYS CA C 76 55.900 55.460 0.440 2
1 760 . 1 1 A 76 76 LYS CB C 76 32.100 33.959 -1.859 2
1 764 . 1 1 A 77 77 ILE H H 77 9.060 8.524 0.536 2
1 765 . 1 1 A 77 77 ILE HA H 77 3.850 4.326 -0.476 2
1 775 . 1 1 A 77 77 ILE C C 77 175.900 175.991 -0.091 2
1 776 . 1 1 A 77 77 ILE CA C 77 59.600 60.750 -1.150 2
1 777 . 1 1 A 77 77 ILE CB C 77 38.400 38.815 -0.414 2
1 781 . 1 1 A 77 77 ILE N N 77 126.900 126.358 0.542 2
1 782 . 1 1 A 78 78 SER H H 78 8.730 8.966 -0.236 2
1 783 . 1 1 A 78 78 SER HA H 78 4.140 4.065 0.075 2
1 786 . 1 1 A 78 78 SER C C 78 176.200 176.513 -0.313 2
1 787 . 1 1 A 78 78 SER CA C 78 60.800 61.687 -0.887 2
1 788 . 1 1 A 78 78 SER CB C 78 61.200 62.952 -1.752 2
1 789 . 1 1 A 78 78 SER N N 78 119.000 123.022 -4.022 2
1 790 . 1 1 A 79 79 THR H H 79 8.050 7.734 0.316 2
1 791 . 1 1 A 79 79 THR HA H 79 4.580 4.055 0.525 2
1 796 . 1 1 A 79 79 THR C C 79 174.400 176.174 -1.774 2
1 797 . 1 1 A 79 79 THR CA C 79 62.200 65.224 -3.024 2
1 798 . 1 1 A 79 79 THR CB C 79 69.300 68.690 0.610 2
1 800 . 1 1 A 79 79 THR N N 79 114.300 115.397 -1.097 2
1 801 . 1 1 A 80 80 LEU H H 80 7.470 7.791 -0.321 2
1 802 . 1 1 A 80 80 LEU HA H 80 3.580 3.493 0.087 2
1 812 . 1 1 A 80 80 LEU C C 80 176.500 177.910 -1.410 2
1 813 . 1 1 A 80 80 LEU CA C 80 58.400 57.733 0.667 2
1 814 . 1 1 A 80 80 LEU CB C 80 41.800 41.417 0.383 2
1 818 . 1 1 A 80 80 LEU N N 80 123.200 121.819 1.381 2
1 819 . 1 1 A 81 81 ASP H H 81 8.450 7.970 0.480 2
1 820 . 1 1 A 81 81 ASP HA H 81 4.060 4.203 -0.143 2
1 823 . 1 1 A 81 81 ASP C C 81 178.700 178.488 0.212 2
1 824 . 1 1 A 81 81 ASP CA C 81 57.600 57.736 -0.136 2
1 825 . 1 1 A 81 81 ASP CB C 81 39.500 41.750 -2.250 2
1 826 . 1 1 A 81 81 ASP N N 81 116.000 118.909 -2.909 2
1 827 . 1 1 A 82 82 GLU H H 82 7.800 7.812 -0.012 2
1 828 . 1 1 A 82 82 GLU HA H 82 4.030 4.030 -0.000 2
1 833 . 1 1 A 82 82 GLU C C 82 178.500 178.686 -0.186 2
1 834 . 1 1 A 82 82 GLU CA C 82 59.100 59.203 -0.103 2
1 835 . 1 1 A 82 82 GLU CB C 82 29.300 29.526 -0.226 2
1 837 . 1 1 A 82 82 GLU N N 82 120.400 118.856 1.544 2
1 838 . 1 1 A 83 83 TYR H H 83 8.190 7.991 0.199 2
1 839 . 1 1 A 83 83 TYR HA H 83 4.410 4.281 0.129 2
1 846 . 1 1 A 83 83 TYR C C 83 176.700 177.245 -0.545 2
1 847 . 1 1 A 83 83 TYR CA C 83 60.900 61.400 -0.500 2
1 848 . 1 1 A 83 83 TYR CB C 83 37.600 38.684 -1.084 2
1 851 . 1 1 A 83 83 TYR N N 83 122.900 121.943 0.957 2
1 852 . 1 1 A 84 84 ILE H H 84 8.400 8.613 -0.213 2
1 853 . 1 1 A 84 84 ILE HA H 84 3.240 3.490 -0.250 2
1 863 . 1 1 A 84 84 ILE C C 84 178.000 177.637 0.363 2
1 864 . 1 1 A 84 84 ILE CA C 84 60.800 65.276 -4.476 2
1 865 . 1 1 A 84 84 ILE CB C 84 35.500 37.530 -2.030 2
1 869 . 1 1 A 84 84 ILE N N 84 119.100 120.544 -1.444 2
1 870 . 1 1 A 85 85 TYR H H 85 7.820 8.251 -0.431 2
1 871 . 1 1 A 85 85 TYR HA H 85 3.910 4.022 -0.112 2
1 878 . 1 1 A 85 85 TYR C C 85 176.800 177.799 -0.999 2
1 879 . 1 1 A 85 85 TYR CA C 85 60.700 61.243 -0.543 2
1 880 . 1 1 A 85 85 TYR CB C 85 37.900 38.764 -0.864 2
1 883 . 1 1 A 85 85 TYR N N 85 119.100 121.024 -1.924 2
1 884 . 1 1 A 86 86 GLU H H 86 7.660 8.064 -0.404 2
1 885 . 1 1 A 86 86 GLU HA H 86 3.690 3.907 -0.217 2
1 890 . 1 1 A 86 86 GLU C C 86 177.900 177.494 0.406 2
1 891 . 1 1 A 86 86 GLU CA C 86 58.200 58.703 -0.503 2
1 892 . 1 1 A 86 86 GLU CB C 86 29.500 29.441 0.059 2
1 894 . 1 1 A 86 86 GLU N N 86 116.700 118.341 -1.641 2
1 895 . 1 1 A 87 87 TYR H H 87 8.010 7.569 0.441 2
1 896 . 1 1 A 87 87 TYR HA H 87 4.090 4.329 -0.239 2
1 903 . 1 1 A 87 87 TYR C C 87 176.000 176.342 -0.342 2
1 904 . 1 1 A 87 87 TYR CA C 87 60.100 59.529 0.571 2
1 905 . 1 1 A 87 87 TYR CB C 87 37.300 39.305 -2.005 2
1 908 . 1 1 A 87 87 TYR N N 87 114.900 115.857 -0.957 2
1 909 . 1 1 A 88 88 CYS H H 88 8.300 7.937 0.363 2
1 910 . 1 1 A 88 88 CYS HA H 88 4.760 4.764 -0.004 2
1 913 . 1 1 A 88 88 CYS CA C 88 53.500 55.287 -1.787 2
1 914 . 1 1 A 88 88 CYS CB C 88 42.000 42.322 -0.322 2
1 915 . 1 1 A 88 88 CYS N N 88 119.700 116.798 2.902 2
1 916 . 1 1 A 89 89 ASN C C 89 176.500 175.643 0.857 2
1 917 . 1 1 A 90 90 PHE HA H 90 4.590 4.672 -0.082 2
1 925 . 1 1 A 90 90 PHE CA C 90 57.400 58.316 -0.916 2
1 926 . 1 1 A 90 90 PHE CB C 90 38.200 40.548 -2.348 2
1 930 . 1 1 A 92 92 CYS HA H 92 4.660 5.071 -0.411 2
1 933 . 1 1 A 92 92 CYS C C 92 172.000 172.608 -0.608 2
1 934 . 1 1 A 92 92 CYS CA C 92 55.000 55.562 -0.562 2
1 935 . 1 1 A 92 92 CYS CB C 92 47.400 45.125 2.275 2
1 936 . 1 1 A 93 93 ALA H H 93 8.670 8.629 0.041 2
1 937 . 1 1 A 93 93 ALA HA H 93 4.520 5.335 -0.815 2
1 941 . 1 1 A 93 93 ALA C C 93 177.400 175.938 1.462 2
1 942 . 1 1 A 93 93 ALA CA C 93 52.400 51.531 0.869 2
1 943 . 1 1 A 93 93 ALA CB C 93 19.800 22.198 -2.398 2
1 944 . 1 1 A 93 93 ALA N N 93 126.000 123.142 2.858 2
1 945 . 1 1 A 94 94 TYR H H 94 8.460 8.687 -0.227 2
1 946 . 1 1 A 94 94 TYR HA H 94 5.570 5.838 -0.268 2
1 953 . 1 1 A 94 94 TYR C C 94 171.500 173.541 -2.041 2
1 954 . 1 1 A 94 94 TYR CA C 94 57.200 56.249 0.951 2
1 955 . 1 1 A 94 94 TYR CB C 94 39.800 41.045 -1.245 2
1 958 . 1 1 A 94 94 TYR N N 94 116.200 117.501 -1.301 2
1 959 . 1 1 A 95 95 PHE H H 95 9.220 8.854 0.366 2
1 960 . 1 1 A 95 95 PHE HA H 95 5.280 5.657 -0.377 2
1 967 . 1 1 A 95 95 PHE C C 95 172.900 172.952 -0.052 2
1 968 . 1 1 A 95 95 PHE CA C 95 55.200 55.767 -0.567 2
1 969 . 1 1 A 95 95 PHE CB C 95 42.400 42.853 -0.453 2
1 972 . 1 1 A 95 95 PHE N N 95 114.100 116.869 -2.769 2
1 973 . 1 1 A 96 96 VAL H H 96 9.130 9.141 -0.011 2
1 974 . 1 1 A 96 96 VAL HA H 96 4.860 5.018 -0.158 2
1 982 . 1 1 A 96 96 VAL C C 96 174.800 174.663 0.137 2
1 983 . 1 1 A 96 96 VAL CA C 96 61.400 61.360 0.040 2
1 984 . 1 1 A 96 96 VAL CB C 96 35.100 34.481 0.619 2
1 987 . 1 1 A 96 96 VAL N N 96 118.400 120.942 -2.542 2
1 988 . 1 1 A 97 97 LEU H H 97 9.610 9.511 0.099 2
1 989 . 1 1 A 97 97 LEU HA H 97 5.380 5.458 -0.078 2
1 999 . 1 1 A 97 97 LEU C C 97 175.700 175.323 0.377 2
1 1000 . 1 1 A 97 97 LEU CA C 97 52.100 53.197 -1.097 2
1 1001 . 1 1 A 97 97 LEU CB C 97 44.500 44.612 -0.112 2
1 1005 . 1 1 A 97 97 LEU N N 97 126.100 127.352 -1.251 2
1 1006 . 1 1 A 98 98 LYS H H 98 9.660 8.943 0.717 2
1 1007 . 1 1 A 98 98 LYS HA H 98 4.740 4.958 -0.218 2
1 1016 . 1 1 A 98 98 LYS C C 98 175.500 175.636 -0.136 2
1 1017 . 1 1 A 98 98 LYS CA C 98 54.400 54.467 -0.067 2
1 1018 . 1 1 A 98 98 LYS CB C 98 37.500 35.484 2.016 2
1 1022 . 1 1 A 98 98 LYS N N 98 123.900 124.515 -0.615 2
1 1023 . 1 1 A 99 99 ARG H H 99 8.400 8.546 -0.146 2
1 1024 . 1 1 A 99 99 ARG HA H 99 4.040 4.309 -0.269 2
1 1031 . 1 1 A 99 99 ARG C C 99 174.800 175.927 -1.127 2
1 1032 . 1 1 A 99 99 ARG CA C 99 55.500 56.369 -0.869 2
1 1033 . 1 1 A 99 99 ARG CB C 99 30.000 30.593 -0.592 2
1 1036 . 1 1 A 99 99 ARG N N 99 128.700 127.502 1.198 2
1 1037 . 1 1 A 100 100 ILE H H 100 8.660 8.741 -0.081 2
1 1038 . 1 1 A 100 100 ILE HA H 100 4.150 4.128 0.022 2
1 1048 . 1 1 A 100 100 ILE CA C 100 59.100 61.595 -2.495 2
1 1049 . 1 1 A 100 100 ILE CB C 100 36.300 38.262 -1.962 2
1 1053 . 1 1 A 100 100 ILE N N 100 130.500 127.198 3.302 2
1 1054 . 1 1 A 101 101 ARG C C 101 177.000 175.563 1.437 2
1 1055 . 1 1 A 102 102 LYS C C 102 178.900 175.219 3.681 2
1 1056 . 1 1 A 103 103 LEU HA H 103 4.230 4.482 -0.252 2
1 1066 . 1 1 A 103 103 LEU CA C 103 54.900 54.720 0.180 2
1 1067 . 1 1 A 103 103 LEU CB C 103 42.100 43.081 -0.981 2
1 1071 . 1 1 A 104 104 GLU HA H 104 4.010 4.552 -0.542 2
1 1075 . 1 1 A 104 104 GLU CA C 104 58.300 55.894 2.406 2
1 1076 . 1 1 A 104 104 GLU CB C 104 28.300 30.426 -2.126 2
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