data_6930_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 6930
_Entry.PDB_ID 2K3K
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 2 2 GLU HA H 2 4.372 4.902 -0.530 1
1 6 . 1 1 1 A 2 2 GLU C C 2 175.830 175.750 0.080 1
1 7 . 1 1 1 A 2 2 GLU CA C 2 56.340 54.113 2.227 1
1 8 . 1 1 1 A 2 2 GLU CB C 2 30.550 33.683 -3.133 1
1 10 . 1 1 1 A 3 3 MET H H 3 8.529 8.698 -0.169 1
1 11 . 1 1 1 A 3 3 MET HA H 3 4.534 4.610 -0.076 1
1 19 . 1 1 1 A 3 3 MET C C 3 175.350 175.257 0.093 1
1 20 . 1 1 1 A 3 3 MET CA C 3 54.950 55.037 -0.087 1
1 21 . 1 1 1 A 3 3 MET CB C 3 33.150 33.733 -0.583 1
1 24 . 1 1 1 A 3 3 MET N N 3 122.340 122.919 -0.579 1
1 25 . 1 1 1 A 4 4 LEU H H 4 8.265 7.107 1.158 1
1 26 . 1 1 1 A 4 4 LEU HA H 4 4.579 4.487 0.092 1
1 36 . 1 1 1 A 4 4 LEU CA C 4 52.620 50.843 1.777 1
1 37 . 1 1 1 A 4 4 LEU CB C 4 41.780 44.337 -2.557 1
1 41 . 1 1 1 A 4 4 LEU N N 4 125.280 122.034 3.246 1
1 42 . 1 1 1 A 5 5 PRO HA H 5 4.268 4.625 -0.357 1
1 49 . 1 1 1 A 5 5 PRO C C 5 175.390 175.064 0.326 1
1 50 . 1 1 1 A 5 5 PRO CA C 5 62.620 62.976 -0.356 1
1 51 . 1 1 1 A 5 5 PRO CB C 5 32.300 32.328 -0.028 1
1 54 . 1 1 1 A 6 6 ASN H H 6 6.913 8.951 -2.038 1
1 55 . 1 1 1 A 6 6 ASN HA H 6 4.460 5.164 -0.704 1
1 60 . 1 1 1 A 6 6 ASN C C 6 172.390 175.190 -2.800 1
1 61 . 1 1 1 A 6 6 ASN CA C 6 52.920 52.477 0.443 1
1 62 . 1 1 1 A 6 6 ASN CB C 6 41.920 42.050 -0.130 1
1 63 . 1 1 1 A 6 6 ASN N N 6 117.610 120.351 -2.741 1
1 65 . 1 1 1 A 7 7 GLN H H 7 8.465 8.803 -0.338 1
1 66 . 1 1 1 A 7 7 GLN HA H 7 4.164 4.225 -0.061 1
1 73 . 1 1 1 A 7 7 GLN C C 7 175.020 175.760 -0.740 1
1 74 . 1 1 1 A 7 7 GLN CA C 7 58.100 57.660 0.440 1
1 75 . 1 1 1 A 7 7 GLN CB C 7 29.270 29.208 0.062 1
1 77 . 1 1 1 A 7 7 GLN N N 7 116.430 122.992 -6.562 1
1 79 . 1 1 1 A 8 8 THR H H 8 8.374 7.851 0.523 1
1 80 . 1 1 1 A 8 8 THR HA H 8 5.399 5.340 0.059 1
1 85 . 1 1 1 A 8 8 THR C C 8 173.700 174.034 -0.334 1
1 86 . 1 1 1 A 8 8 THR CA C 8 62.380 61.379 1.001 1
1 87 . 1 1 1 A 8 8 THR CB C 8 69.100 72.060 -2.960 1
1 89 . 1 1 1 A 8 8 THR N N 8 118.220 111.895 6.325 1
1 90 . 1 1 1 A 9 9 ILE H H 9 8.794 9.316 -0.522 1
1 91 . 1 1 1 A 9 9 ILE HA H 9 5.085 5.343 -0.258 1
1 101 . 1 1 1 A 9 9 ILE C C 9 173.490 173.663 -0.173 1
1 102 . 1 1 1 A 9 9 ILE CA C 9 59.000 59.338 -0.338 1
1 103 . 1 1 1 A 9 9 ILE CB C 9 39.710 42.173 -2.463 1
1 107 . 1 1 1 A 9 9 ILE N N 9 118.250 121.196 -2.946 1
1 108 . 1 1 1 A 10 10 TYR H H 10 9.384 9.171 0.213 1
1 109 . 1 1 1 A 10 10 TYR HA H 10 5.032 5.077 -0.045 1
1 116 . 1 1 1 A 10 10 TYR C C 10 173.920 173.517 0.403 1
1 117 . 1 1 1 A 10 10 TYR CA C 10 55.240 55.841 -0.601 1
1 118 . 1 1 1 A 10 10 TYR CB C 10 40.700 41.587 -0.887 1
1 123 . 1 1 1 A 10 10 TYR N N 10 124.310 124.873 -0.563 1
1 124 . 1 1 1 A 11 11 ILE H H 11 9.000 8.872 0.128 1
1 125 . 1 1 1 A 11 11 ILE HA H 11 4.629 4.747 -0.118 1
1 135 . 1 1 1 A 11 11 ILE C C 11 180.280 175.284 4.996 1
1 136 . 1 1 1 A 11 11 ILE CA C 11 60.050 59.472 0.578 1
1 137 . 1 1 1 A 11 11 ILE CB C 11 40.350 40.562 -0.212 1
1 141 . 1 1 1 A 11 11 ILE N N 11 126.640 126.439 0.201 1
1 142 . 1 1 1 A 12 12 ASN H H 12 8.844 8.650 0.194 1
1 143 . 1 1 1 A 12 12 ASN HA H 12 5.267 4.865 0.402 1
1 148 . 1 1 1 A 12 12 ASN C C 12 174.640 174.719 -0.079 1
1 149 . 1 1 1 A 12 12 ASN CA C 12 50.860 51.941 -1.081 1
1 150 . 1 1 1 A 12 12 ASN CB C 12 41.400 38.973 2.427 1
1 151 . 1 1 1 A 12 12 ASN N N 12 123.520 118.950 4.570 1
1 153 . 1 1 1 A 13 13 ASN H H 13 8.689 7.739 0.950 1
1 154 . 1 1 1 A 13 13 ASN HA H 13 4.456 4.946 -0.490 1
1 159 . 1 1 1 A 13 13 ASN C C 13 176.140 174.302 1.838 1
1 160 . 1 1 1 A 13 13 ASN CA C 13 53.920 52.075 1.845 1
1 161 . 1 1 1 A 13 13 ASN CB C 13 39.360 39.540 -0.180 1
1 162 . 1 1 1 A 13 13 ASN N N 13 115.910 119.277 -3.367 1
1 164 . 1 1 1 A 14 14 LEU H H 14 8.221 7.327 0.894 1
1 165 . 1 1 1 A 14 14 LEU HA H 14 4.350 4.382 -0.032 1
1 175 . 1 1 1 A 14 14 LEU C C 14 177.880 176.985 0.895 1
1 176 . 1 1 1 A 14 14 LEU CA C 14 54.000 55.206 -1.206 1
1 177 . 1 1 1 A 14 14 LEU CB C 14 42.830 42.352 0.478 1
1 181 . 1 1 1 A 14 14 LEU N N 14 116.310 121.668 -5.358 1
1 182 . 1 1 1 A 15 15 ASN H H 15 9.226 8.420 0.806 1
1 183 . 1 1 1 A 15 15 ASN HA H 15 4.225 4.743 -0.518 1
1 188 . 1 1 1 A 15 15 ASN C C 15 176.150 176.725 -0.575 1
1 189 . 1 1 1 A 15 15 ASN CA C 15 54.210 53.403 0.807 1
1 190 . 1 1 1 A 15 15 ASN CB C 15 38.050 39.481 -1.431 1
1 191 . 1 1 1 A 15 15 ASN N N 15 120.300 121.270 -0.970 1
1 193 . 1 1 1 A 16 16 GLU H H 16 9.234 8.821 0.413 1
1 194 . 1 1 1 A 16 16 GLU HA H 16 4.110 4.024 0.086 1
1 199 . 1 1 1 A 16 16 GLU C C 16 176.510 178.242 -1.732 1
1 200 . 1 1 1 A 16 16 GLU CA C 16 57.800 58.599 -0.799 1
1 201 . 1 1 1 A 16 16 GLU CB C 16 29.300 28.976 0.324 1
1 203 . 1 1 1 A 16 16 GLU N N 16 128.160 126.142 2.018 1
1 204 . 1 1 1 A 17 17 LYS H H 17 8.421 8.115 0.306 1
1 205 . 1 1 1 A 17 17 LYS HA H 17 4.170 4.102 0.068 1
1 214 . 1 1 1 A 17 17 LYS C C 17 176.700 176.879 -0.179 1
1 215 . 1 1 1 A 17 17 LYS CA C 17 56.750 58.838 -2.088 1
1 216 . 1 1 1 A 17 17 LYS CB C 17 32.370 31.959 0.411 1
1 220 . 1 1 1 A 17 17 LYS N N 17 118.450 118.054 0.396 1
1 221 . 1 1 1 A 18 18 ILE H H 18 6.751 7.276 -0.525 1
1 222 . 1 1 1 A 18 18 ILE HA H 18 3.830 3.886 -0.056 1
1 232 . 1 1 1 A 18 18 ILE C C 18 176.560 175.788 0.772 1
1 233 . 1 1 1 A 18 18 ILE CA C 18 58.640 61.962 -3.322 1
1 234 . 1 1 1 A 18 18 ILE CB C 18 35.940 37.888 -1.948 1
1 238 . 1 1 1 A 18 18 ILE N N 18 118.790 122.204 -3.414 1
1 239 . 1 1 1 A 19 19 LYS H H 19 8.815 8.971 -0.156 1
1 240 . 1 1 1 A 19 19 LYS HA H 19 4.189 4.354 -0.165 1
1 249 . 1 1 1 A 19 19 LYS C C 19 178.340 178.130 0.210 1
1 250 . 1 1 1 A 19 19 LYS CA C 19 57.250 56.025 1.225 1
1 251 . 1 1 1 A 19 19 LYS CB C 19 32.800 33.391 -0.591 1
1 255 . 1 1 1 A 19 19 LYS N N 19 129.030 126.691 2.339 1
1 256 . 1 1 1 A 20 20 LYS H H 20 9.032 9.012 0.020 1
1 257 . 1 1 1 A 20 20 LYS HA H 20 3.854 3.895 -0.041 1
1 266 . 1 1 1 A 20 20 LYS C C 20 178.390 177.894 0.496 1
1 267 . 1 1 1 A 20 20 LYS CA C 20 59.740 60.365 -0.625 1
1 268 . 1 1 1 A 20 20 LYS CB C 20 31.390 32.034 -0.644 1
1 272 . 1 1 1 A 20 20 LYS N N 20 123.440 124.258 -0.818 1
1 273 . 1 1 1 A 21 21 GLU H H 21 9.341 8.028 1.313 1
1 274 . 1 1 1 A 21 21 GLU HA H 21 4.074 4.081 -0.007 1
1 279 . 1 1 1 A 21 21 GLU C C 21 179.120 179.399 -0.279 1
1 280 . 1 1 1 A 21 21 GLU CA C 21 60.270 59.398 0.872 1
1 281 . 1 1 1 A 21 21 GLU CB C 21 28.840 29.039 -0.199 1
1 283 . 1 1 1 A 21 21 GLU N N 21 117.890 118.278 -0.388 1
1 284 . 1 1 1 A 22 22 GLU H H 22 6.994 8.006 -1.012 1
1 285 . 1 1 1 A 22 22 GLU HA H 22 4.166 4.122 0.044 1
1 290 . 1 1 1 A 22 22 GLU C C 22 178.200 179.070 -0.870 1
1 291 . 1 1 1 A 22 22 GLU CA C 22 58.530 59.068 -0.538 1
1 292 . 1 1 1 A 22 22 GLU CB C 22 29.180 30.095 -0.915 1
1 294 . 1 1 1 A 22 22 GLU N N 22 119.810 120.261 -0.451 1
1 295 . 1 1 1 A 23 23 LEU H H 23 8.462 8.379 0.083 1
1 296 . 1 1 1 A 23 23 LEU HA H 23 3.981 4.331 -0.350 1
1 306 . 1 1 1 A 23 23 LEU C C 23 178.780 178.343 0.437 1
1 307 . 1 1 1 A 23 23 LEU CA C 23 58.840 58.136 0.704 1
1 308 . 1 1 1 A 23 23 LEU CB C 23 42.420 41.886 0.534 1
1 312 . 1 1 1 A 23 23 LEU N N 23 121.220 121.118 0.102 1
1 313 . 1 1 1 A 24 24 LYS H H 24 8.411 8.524 -0.113 1
1 314 . 1 1 1 A 24 24 LYS HA H 24 3.808 4.039 -0.231 1
1 323 . 1 1 1 A 24 24 LYS C C 24 178.200 178.871 -0.671 1
1 324 . 1 1 1 A 24 24 LYS CA C 24 61.500 59.742 1.758 1
1 325 . 1 1 1 A 24 24 LYS CB C 24 32.500 32.451 0.049 1
1 329 . 1 1 1 A 24 24 LYS N N 24 116.620 118.793 -2.173 1
1 330 . 1 1 1 A 25 25 LYS H H 25 7.592 8.202 -0.610 1
1 331 . 1 1 1 A 25 25 LYS HA H 25 4.181 4.165 0.016 1
1 340 . 1 1 1 A 25 25 LYS C C 25 180.280 179.659 0.621 1
1 341 . 1 1 1 A 25 25 LYS CA C 25 60.140 59.316 0.824 1
1 342 . 1 1 1 A 25 25 LYS CB C 25 32.690 32.318 0.372 1
1 346 . 1 1 1 A 25 25 LYS N N 25 118.830 119.313 -0.483 1
1 347 . 1 1 1 A 26 26 SER H H 26 8.845 8.678 0.167 1
1 348 . 1 1 1 A 26 26 SER HA H 26 4.570 4.268 0.302 1
1 351 . 1 1 1 A 26 26 SER C C 26 176.880 178.043 -1.163 1
1 352 . 1 1 1 A 26 26 SER CA C 26 62.210 61.648 0.562 1
1 353 . 1 1 1 A 26 26 SER CB C 26 63.320 62.391 0.929 1
1 354 . 1 1 1 A 26 26 SER N N 26 117.880 114.885 2.995 1
1 355 . 1 1 1 A 27 27 LEU H H 27 9.040 8.521 0.519 1
1 356 . 1 1 1 A 27 27 LEU HA H 27 4.190 4.157 0.033 1
1 366 . 1 1 1 A 27 27 LEU C C 27 179.100 178.995 0.105 1
1 367 . 1 1 1 A 27 27 LEU CA C 27 57.960 57.961 -0.001 1
1 368 . 1 1 1 A 27 27 LEU CB C 27 43.030 42.213 0.817 1
1 372 . 1 1 1 A 27 27 LEU N N 27 122.840 122.923 -0.083 1
1 373 . 1 1 1 A 28 28 TYR H H 28 8.535 8.570 -0.035 1
1 374 . 1 1 1 A 28 28 TYR HA H 28 3.826 4.039 -0.213 1
1 379 . 1 1 1 A 28 28 TYR C C 28 178.360 178.458 -0.098 1
1 380 . 1 1 1 A 28 28 TYR CA C 28 63.220 62.270 0.950 1
1 381 . 1 1 1 A 28 28 TYR CB C 28 38.320 38.738 -0.418 1
1 384 . 1 1 1 A 28 28 TYR N N 28 121.030 119.298 1.732 1
1 385 . 1 1 1 A 29 29 ALA H H 29 8.009 8.543 -0.534 1
1 386 . 1 1 1 A 29 29 ALA HA H 29 3.364 4.089 -0.725 1
1 390 . 1 1 1 A 29 29 ALA CA C 29 55.420 54.971 0.449 1
1 391 . 1 1 1 A 29 29 ALA CB C 29 18.920 18.820 0.100 1
1 392 . 1 1 1 A 29 29 ALA N N 29 120.570 121.609 -1.039 1
1 393 . 1 1 1 A 30 30 ILE HA H 30 4.048 4.185 -0.137 1
1 403 . 1 1 1 A 30 30 ILE C C 30 177.270 177.953 -0.683 1
1 404 . 1 1 1 A 30 30 ILE CA C 30 63.380 63.163 0.217 1
1 405 . 1 1 1 A 30 30 ILE CB C 30 38.850 39.528 -0.678 1
1 409 . 1 1 1 A 31 31 PHE H H 31 8.446 8.671 -0.225 1
1 410 . 1 1 1 A 31 31 PHE HA H 31 4.900 4.494 0.406 1
1 415 . 1 1 1 A 31 31 PHE C C 31 177.820 178.366 -0.546 1
1 416 . 1 1 1 A 31 31 PHE CA C 31 62.380 60.334 2.046 1
1 417 . 1 1 1 A 31 31 PHE CB C 31 38.900 38.154 0.746 1
1 418 . 1 1 1 A 31 31 PHE N N 31 115.770 119.712 -3.942 1
1 419 . 1 1 1 A 32 32 SER H H 32 8.392 8.027 0.365 1
1 420 . 1 1 1 A 32 32 SER HA H 32 4.365 4.336 0.029 1
1 423 . 1 1 1 A 32 32 SER C C 32 176.140 176.468 -0.328 1
1 424 . 1 1 1 A 32 32 SER CA C 32 61.680 61.954 -0.274 1
1 425 . 1 1 1 A 32 32 SER CB C 32 62.460 62.843 -0.383 1
1 426 . 1 1 1 A 32 32 SER N N 32 116.890 115.321 1.569 1
1 427 . 1 1 1 A 33 33 GLN H H 33 7.310 8.113 -0.803 1
1 428 . 1 1 1 A 33 33 GLN HA H 33 4.059 3.990 0.069 1
1 435 . 1 1 1 A 33 33 GLN C C 33 176.330 176.625 -0.295 1
1 436 . 1 1 1 A 33 33 GLN CA C 33 57.220 57.715 -0.495 1
1 437 . 1 1 1 A 33 33 GLN CB C 33 28.040 28.631 -0.591 1
1 439 . 1 1 1 A 33 33 GLN N N 33 117.530 119.578 -2.048 1
1 441 . 1 1 1 A 34 34 PHE H H 34 7.626 7.582 0.044 1
1 442 . 1 1 1 A 34 34 PHE HA H 34 4.435 4.552 -0.117 1
1 447 . 1 1 1 A 34 34 PHE C C 34 175.590 175.810 -0.220 1
1 448 . 1 1 1 A 34 34 PHE CA C 34 59.410 58.110 1.300 1
1 449 . 1 1 1 A 34 34 PHE CB C 34 39.380 39.488 -0.108 1
1 452 . 1 1 1 A 34 34 PHE N N 34 116.090 116.698 -0.608 1
1 453 . 1 1 1 A 35 35 GLY H H 35 7.595 7.530 0.065 1
1 454 . 1 1 1 A 35 35 GLY HA2 H 35 3.960 4.142 -0.182 1
1 455 . 1 1 1 A 35 35 GLY HA3 H 35 4.612 4.245 0.367 1
1 456 . 1 1 1 A 35 35 GLY C C 35 170.890 174.560 -3.670 1
1 457 . 1 1 1 A 35 35 GLY CA C 35 44.160 45.629 -1.469 1
1 458 . 1 1 1 A 35 35 GLY N N 35 107.470 105.389 2.081 1
1 459 . 1 1 1 A 36 36 GLN H H 36 8.404 8.468 -0.064 1
1 460 . 1 1 1 A 36 36 GLN HA H 36 4.275 4.053 0.222 1
1 467 . 1 1 1 A 36 36 GLN C C 36 176.650 174.736 1.914 1
1 468 . 1 1 1 A 36 36 GLN CA C 36 57.180 56.526 0.654 1
1 469 . 1 1 1 A 36 36 GLN CB C 36 29.360 27.500 1.860 1
1 471 . 1 1 1 A 36 36 GLN N N 36 116.620 118.465 -1.845 1
1 473 . 1 1 1 A 37 37 ILE H H 37 9.009 8.132 0.877 1
1 474 . 1 1 1 A 37 37 ILE HA H 37 4.068 3.305 0.763 1
1 484 . 1 1 1 A 37 37 ILE C C 37 176.530 175.684 0.846 1
1 485 . 1 1 1 A 37 37 ILE CA C 37 61.270 61.660 -0.390 1
1 486 . 1 1 1 A 37 37 ILE CB C 37 40.600 37.849 2.751 1
1 490 . 1 1 1 A 37 37 ILE N N 37 129.370 126.731 2.639 1
1 491 . 1 1 1 A 38 38 LEU H H 38 9.472 9.368 0.104 1
1 492 . 1 1 1 A 38 38 LEU HA H 38 4.291 4.535 -0.244 1
1 502 . 1 1 1 A 38 38 LEU C C 38 176.900 175.367 1.533 1
1 503 . 1 1 1 A 38 38 LEU CA C 38 56.520 55.936 0.584 1
1 504 . 1 1 1 A 38 38 LEU CB C 38 42.030 44.899 -2.869 1
1 508 . 1 1 1 A 38 38 LEU N N 38 128.180 127.519 0.661 1
1 509 . 1 1 1 A 39 39 ASP H H 39 7.493 7.740 -0.247 1
1 510 . 1 1 1 A 39 39 ASP HA H 39 4.715 4.978 -0.263 1
1 513 . 1 1 1 A 39 39 ASP C C 39 173.560 173.832 -0.272 1
1 514 . 1 1 1 A 39 39 ASP CA C 39 53.510 53.514 -0.004 1
1 515 . 1 1 1 A 39 39 ASP CB C 39 44.160 43.829 0.331 1
1 516 . 1 1 1 A 39 39 ASP N N 39 114.640 117.292 -2.652 1
1 517 . 1 1 1 A 40 40 ILE H H 40 8.537 8.561 -0.024 1
1 518 . 1 1 1 A 40 40 ILE HA H 40 4.722 4.939 -0.217 1
1 528 . 1 1 1 A 40 40 ILE C C 40 174.090 174.935 -0.845 1
1 529 . 1 1 1 A 40 40 ILE CA C 40 61.060 59.968 1.092 1
1 530 . 1 1 1 A 40 40 ILE CB C 40 41.220 42.218 -0.998 1
1 534 . 1 1 1 A 40 40 ILE N N 40 119.670 121.999 -2.329 1
1 535 . 1 1 1 A 41 41 VAL H H 41 8.807 8.922 -0.115 1
1 536 . 1 1 1 A 41 41 VAL HA H 41 4.195 4.928 -0.733 1
1 544 . 1 1 1 A 41 41 VAL C C 41 174.470 174.619 -0.149 1
1 545 . 1 1 1 A 41 41 VAL CA C 41 61.020 61.105 -0.085 1
1 546 . 1 1 1 A 41 41 VAL CB C 41 34.160 34.569 -0.409 1
1 549 . 1 1 1 A 41 41 VAL N N 41 127.000 126.088 0.912 1
1 550 . 1 1 1 A 42 42 ALA H H 42 8.708 8.875 -0.167 1
1 551 . 1 1 1 A 42 42 ALA HA H 42 4.796 5.109 -0.313 1
1 555 . 1 1 1 A 42 42 ALA C C 42 175.210 175.680 -0.470 1
1 556 . 1 1 1 A 42 42 ALA CA C 42 51.430 51.238 0.192 1
1 557 . 1 1 1 A 42 42 ALA CB C 42 19.780 24.203 -4.423 1
1 558 . 1 1 1 A 42 42 ALA N N 42 130.100 128.256 1.844 1
1 559 . 1 1 1 A 43 43 LEU H H 43 8.224 8.212 0.012 1
1 560 . 1 1 1 A 43 43 LEU HA H 43 4.575 5.022 -0.447 1
1 570 . 1 1 1 A 43 43 LEU CA C 43 54.620 53.496 1.124 1
1 571 . 1 1 1 A 43 43 LEU CB C 43 43.640 45.448 -1.808 1
1 575 . 1 1 1 A 43 43 LEU N N 43 122.270 120.222 2.048 1
1 576 . 1 1 1 A 44 44 LYS HA H 44 4.570 4.070 0.500 1
1 585 . 1 1 1 A 44 44 LYS CA C 44 56.000 58.540 -2.540 1
1 586 . 1 1 1 A 44 44 LYS CB C 44 32.940 32.685 0.255 1
1 590 . 1 1 1 A 45 45 THR H H 45 7.706 7.553 0.153 1
1 591 . 1 1 1 A 45 45 THR HA H 45 4.494 4.268 0.226 1
1 596 . 1 1 1 A 45 45 THR CA C 45 60.500 61.420 -0.920 1
1 597 . 1 1 1 A 45 45 THR CB C 45 70.450 70.177 0.273 1
1 599 . 1 1 1 A 45 45 THR N N 45 113.650 110.555 3.095 1
1 600 . 1 1 1 A 46 46 LEU HA H 46 4.142 4.058 0.084 1
1 610 . 1 1 1 A 46 46 LEU C C 46 179.030 178.450 0.580 1
1 611 . 1 1 1 A 46 46 LEU CA C 46 57.630 58.570 -0.940 1
1 612 . 1 1 1 A 46 46 LEU CB C 46 42.020 41.213 0.807 1
1 616 . 1 1 1 A 47 47 LYS H H 47 8.325 8.963 -0.638 1
1 617 . 1 1 1 A 47 47 LYS HA H 47 4.139 4.184 -0.045 1
1 626 . 1 1 1 A 47 47 LYS C C 47 176.700 176.978 -0.278 1
1 627 . 1 1 1 A 47 47 LYS CA C 47 57.800 58.529 -0.729 1
1 628 . 1 1 1 A 47 47 LYS CB C 47 32.440 31.610 0.830 1
1 632 . 1 1 1 A 47 47 LYS N N 47 116.870 116.657 0.213 1
1 633 . 1 1 1 A 48 48 MET H H 48 7.649 7.827 -0.178 1
1 634 . 1 1 1 A 48 48 MET HA H 48 4.581 4.817 -0.236 1
1 642 . 1 1 1 A 48 48 MET C C 48 175.550 176.496 -0.946 1
1 643 . 1 1 1 A 48 48 MET CA C 48 54.970 55.132 -0.162 1
1 644 . 1 1 1 A 48 48 MET CB C 48 32.770 33.752 -0.982 1
1 647 . 1 1 1 A 48 48 MET N N 48 116.090 117.842 -1.752 1
1 648 . 1 1 1 A 49 49 ARG H H 49 7.653 7.856 -0.203 1
1 649 . 1 1 1 A 49 49 ARG HA H 49 4.377 4.325 0.052 1
1 656 . 1 1 1 A 49 49 ARG C C 49 177.450 177.939 -0.489 1
1 657 . 1 1 1 A 49 49 ARG CA C 49 57.250 57.824 -0.574 1
1 658 . 1 1 1 A 49 49 ARG CB C 49 30.400 30.570 -0.170 1
1 661 . 1 1 1 A 49 49 ARG N N 49 119.580 120.159 -0.579 1
1 662 . 1 1 1 A 50 50 GLY H H 50 9.177 8.021 1.156 1
1 663 . 1 1 1 A 50 50 GLY HA2 H 50 3.960 3.956 0.004 1
1 664 . 1 1 1 A 50 50 GLY HA3 H 50 4.107 3.958 0.149 1
1 665 . 1 1 1 A 50 50 GLY C C 50 172.960 173.638 -0.678 1
1 666 . 1 1 1 A 50 50 GLY CA C 50 46.140 45.275 0.865 1
1 667 . 1 1 1 A 50 50 GLY N N 50 111.640 107.488 4.152 1
1 668 . 1 1 1 A 51 51 GLN H H 51 7.853 7.620 0.233 1
1 669 . 1 1 1 A 51 51 GLN HA H 51 5.516 4.952 0.564 1
1 675 . 1 1 1 A 51 51 GLN C C 51 174.800 174.180 0.620 1
1 676 . 1 1 1 A 51 51 GLN CA C 51 54.160 53.815 0.345 1
1 677 . 1 1 1 A 51 51 GLN CB C 51 34.330 33.426 0.904 1
1 679 . 1 1 1 A 51 51 GLN N N 51 117.000 118.805 -1.805 1
1 681 . 1 1 1 A 52 52 ALA H H 52 8.765 8.439 0.326 1
1 682 . 1 1 1 A 52 52 ALA HA H 52 5.098 5.005 0.093 1
1 686 . 1 1 1 A 52 52 ALA C C 52 174.820 175.345 -0.525 1
1 687 . 1 1 1 A 52 52 ALA CA C 52 51.170 51.336 -0.166 1
1 688 . 1 1 1 A 52 52 ALA CB C 52 23.350 23.647 -0.297 1
1 689 . 1 1 1 A 52 52 ALA N N 52 121.050 122.473 -1.423 1
1 690 . 1 1 1 A 53 53 PHE H H 53 8.840 9.086 -0.246 1
1 691 . 1 1 1 A 53 53 PHE HA H 53 5.615 5.624 -0.009 1
1 696 . 1 1 1 A 53 53 PHE C C 53 174.870 174.693 0.177 1
1 697 . 1 1 1 A 53 53 PHE CA C 53 55.770 56.715 -0.945 1
1 698 . 1 1 1 A 53 53 PHE CB C 53 41.530 43.850 -2.320 1
1 701 . 1 1 1 A 53 53 PHE N N 53 115.860 116.823 -0.963 1
1 702 . 1 1 1 A 54 54 VAL H H 54 8.766 8.862 -0.096 1
1 703 . 1 1 1 A 54 54 VAL HA H 54 4.169 4.751 -0.582 1
1 711 . 1 1 1 A 54 54 VAL C C 54 173.330 174.037 -0.707 1
1 712 . 1 1 1 A 54 54 VAL CA C 54 61.920 60.396 1.524 1
1 713 . 1 1 1 A 54 54 VAL CB C 54 32.860 35.583 -2.723 1
1 716 . 1 1 1 A 54 54 VAL N N 54 121.920 119.536 2.384 1
1 717 . 1 1 1 A 55 55 ILE H H 55 8.319 9.304 -0.985 1
1 718 . 1 1 1 A 55 55 ILE HA H 55 4.512 5.226 -0.714 1
1 728 . 1 1 1 A 55 55 ILE C C 55 173.920 174.964 -1.044 1
1 729 . 1 1 1 A 55 55 ILE CA C 55 60.880 60.228 0.652 1
1 730 . 1 1 1 A 55 55 ILE CB C 55 39.130 39.638 -0.508 1
1 734 . 1 1 1 A 55 55 ILE N N 55 126.350 128.465 -2.115 1
1 735 . 1 1 1 A 56 56 PHE H H 56 9.009 9.221 -0.212 1
1 736 . 1 1 1 A 56 56 PHE HA H 56 4.889 5.018 -0.129 1
1 741 . 1 1 1 A 56 56 PHE C C 56 175.180 176.230 -1.050 1
1 742 . 1 1 1 A 56 56 PHE CA C 56 59.030 56.980 2.050 1
1 743 . 1 1 1 A 56 56 PHE CB C 56 40.320 42.762 -2.442 1
1 744 . 1 1 1 A 56 56 PHE N N 56 126.440 126.057 0.383 1
1 745 . 1 1 1 A 57 57 LYS H H 57 8.191 8.979 -0.788 1
1 746 . 1 1 1 A 57 57 LYS HA H 57 3.969 4.070 -0.101 1
1 755 . 1 1 1 A 57 57 LYS C C 57 176.140 175.806 0.334 1
1 756 . 1 1 1 A 57 57 LYS CA C 57 59.290 59.364 -0.074 1
1 757 . 1 1 1 A 57 57 LYS CB C 57 33.850 32.770 1.080 1
1 761 . 1 1 1 A 57 57 LYS N N 57 119.130 122.824 -3.694 1
1 762 . 1 1 1 A 58 58 GLU H H 58 8.614 8.105 0.509 1
1 763 . 1 1 1 A 58 58 GLU HA H 58 4.850 4.845 0.005 1
1 768 . 1 1 1 A 58 58 GLU C C 58 177.130 176.734 0.396 1
1 769 . 1 1 1 A 58 58 GLU CA C 58 54.130 54.872 -0.742 1
1 770 . 1 1 1 A 58 58 GLU CB C 58 32.230 33.975 -1.745 1
1 772 . 1 1 1 A 58 58 GLU N N 58 114.350 115.232 -0.882 1
1 773 . 1 1 1 A 59 59 ILE H H 59 8.825 8.677 0.148 1
1 774 . 1 1 1 A 59 59 ILE HA H 59 3.499 3.834 -0.335 1
1 784 . 1 1 1 A 59 59 ILE C C 59 177.650 178.171 -0.521 1
1 785 . 1 1 1 A 59 59 ILE CA C 59 65.660 64.296 1.364 1
1 786 . 1 1 1 A 59 59 ILE CB C 59 38.040 37.685 0.355 1
1 790 . 1 1 1 A 59 59 ILE N N 59 122.940 122.521 0.419 1
1 791 . 1 1 1 A 60 60 GLY H H 60 8.875 8.480 0.395 1
1 792 . 1 1 1 A 60 60 GLY HA2 H 60 3.780 3.789 -0.009 1
1 793 . 1 1 1 A 60 60 GLY HA3 H 60 3.925 3.807 0.118 1
1 794 . 1 1 1 A 60 60 GLY C C 60 176.700 176.373 0.327 1
1 795 . 1 1 1 A 60 60 GLY CA C 60 47.070 47.611 -0.541 1
1 796 . 1 1 1 A 60 60 GLY N N 60 106.980 110.876 -3.896 1
1 797 . 1 1 1 A 61 61 SER H H 61 6.973 7.963 -0.990 1
1 798 . 1 1 1 A 61 61 SER HA H 61 4.141 4.299 -0.158 1
1 801 . 1 1 1 A 61 61 SER C C 61 174.060 176.196 -2.136 1
1 802 . 1 1 1 A 61 61 SER CA C 61 61.870 62.630 -0.760 1
1 803 . 1 1 1 A 61 61 SER CB C 61 63.150 62.947 0.203 1
1 804 . 1 1 1 A 61 61 SER N N 61 116.200 119.337 -3.137 1
1 805 . 1 1 1 A 62 62 ALA H H 62 6.786 8.403 -1.617 1
1 806 . 1 1 1 A 62 62 ALA HA H 62 3.370 3.314 0.056 1
1 810 . 1 1 1 A 62 62 ALA C C 62 178.960 179.107 -0.147 1
1 811 . 1 1 1 A 62 62 ALA CA C 62 55.370 54.987 0.383 1
1 812 . 1 1 1 A 62 62 ALA CB C 62 19.030 18.522 0.508 1
1 813 . 1 1 1 A 62 62 ALA N N 62 123.660 123.839 -0.179 1
1 814 . 1 1 1 A 63 63 SER H H 63 8.379 8.023 0.356 1
1 815 . 1 1 1 A 63 63 SER HA H 63 4.551 4.093 0.458 1
1 818 . 1 1 1 A 63 63 SER C C 63 177.040 176.031 1.009 1
1 819 . 1 1 1 A 63 63 SER CA C 63 61.000 61.751 -0.751 1
1 820 . 1 1 1 A 63 63 SER CB C 63 63.090 62.779 0.311 1
1 821 . 1 1 1 A 63 63 SER N N 63 111.560 112.890 -1.330 1
1 822 . 1 1 1 A 64 64 ASN H H 64 7.737 8.366 -0.629 1
1 823 . 1 1 1 A 64 64 ASN HA H 64 4.434 4.321 0.113 1
1 828 . 1 1 1 A 64 64 ASN C C 64 177.490 177.143 0.347 1
1 829 . 1 1 1 A 64 64 ASN CA C 64 55.410 56.236 -0.826 1
1 830 . 1 1 1 A 64 64 ASN CB C 64 37.930 38.984 -1.054 1
1 831 . 1 1 1 A 64 64 ASN N N 64 120.200 120.353 -0.153 1
1 833 . 1 1 1 A 65 65 ALA H H 65 8.085 7.829 0.256 1
1 834 . 1 1 1 A 65 65 ALA HA H 65 4.864 3.913 0.951 1
1 838 . 1 1 1 A 65 65 ALA C C 65 178.180 179.205 -1.025 1
1 839 . 1 1 1 A 65 65 ALA CA C 65 54.700 54.912 -0.212 1
1 840 . 1 1 1 A 65 65 ALA CB C 65 19.950 17.888 2.062 1
1 841 . 1 1 1 A 65 65 ALA N N 65 125.150 121.396 3.754 1
1 842 . 1 1 1 A 66 66 LEU H H 66 8.083 7.978 0.105 1
1 843 . 1 1 1 A 66 66 LEU HA H 66 3.560 4.009 -0.449 1
1 853 . 1 1 1 A 66 66 LEU C C 66 177.650 178.440 -0.790 1
1 854 . 1 1 1 A 66 66 LEU CA C 66 59.540 58.472 1.068 1
1 855 . 1 1 1 A 66 66 LEU CB C 66 42.020 41.729 0.291 1
1 859 . 1 1 1 A 66 66 LEU N N 66 118.670 119.491 -0.821 1
1 860 . 1 1 1 A 67 67 ARG H H 67 7.620 8.418 -0.798 1
1 861 . 1 1 1 A 67 67 ARG HA H 67 3.939 3.793 0.146 1
1 868 . 1 1 1 A 67 67 ARG C C 67 178.960 178.739 0.221 1
1 869 . 1 1 1 A 67 67 ARG CA C 67 58.860 59.377 -0.517 1
1 870 . 1 1 1 A 67 67 ARG CB C 67 30.570 29.751 0.819 1
1 873 . 1 1 1 A 67 67 ARG N N 67 114.570 119.075 -4.505 1
1 874 . 1 1 1 A 68 68 THR H H 68 7.850 7.991 -0.141 1
1 875 . 1 1 1 A 68 68 THR HA H 68 4.040 3.710 0.330 1
1 880 . 1 1 1 A 68 68 THR C C 68 175.960 175.762 0.198 1
1 881 . 1 1 1 A 68 68 THR CA C 68 66.160 66.603 -0.443 1
1 882 . 1 1 1 A 68 68 THR CB C 68 69.260 67.823 1.437 1
1 884 . 1 1 1 A 68 68 THR N N 68 112.630 116.848 -4.218 1
1 885 . 1 1 1 A 69 69 MET H H 69 7.934 7.736 0.198 1
1 886 . 1 1 1 A 69 69 MET HA H 69 4.734 4.167 0.567 1
1 894 . 1 1 1 A 69 69 MET C C 69 175.820 175.878 -0.058 1
1 895 . 1 1 1 A 69 69 MET CA C 69 53.560 54.805 -1.245 1
1 896 . 1 1 1 A 69 69 MET CB C 69 29.730 31.658 -1.928 1
1 899 . 1 1 1 A 69 69 MET N N 69 115.080 115.968 -0.888 1
1 900 . 1 1 1 A 70 70 GLN H H 70 7.003 7.568 -0.565 1
1 901 . 1 1 1 A 70 70 GLN HA H 70 4.043 3.928 0.115 1
1 908 . 1 1 1 A 70 70 GLN C C 70 178.020 177.308 0.712 1
1 909 . 1 1 1 A 70 70 GLN CA C 70 57.710 58.028 -0.318 1
1 910 . 1 1 1 A 70 70 GLN CB C 70 30.080 28.237 1.843 1
1 912 . 1 1 1 A 70 70 GLN N N 70 120.730 120.249 0.481 1
1 914 . 1 1 1 A 71 71 GLY H H 71 8.693 8.707 -0.014 1
1 915 . 1 1 1 A 71 71 GLY HA2 H 71 4.230 3.914 0.316 1
1 916 . 1 1 1 A 71 71 GLY HA3 H 71 3.817 3.921 -0.104 1
1 917 . 1 1 1 A 71 71 GLY C C 71 173.290 174.266 -0.976 1
1 918 . 1 1 1 A 71 71 GLY CA C 71 45.960 45.825 0.135 1
1 919 . 1 1 1 A 71 71 GLY N N 71 118.750 114.573 4.177 1
1 920 . 1 1 1 A 72 72 PHE H H 72 8.426 8.128 0.298 1
1 921 . 1 1 1 A 72 72 PHE HA H 72 4.641 4.522 0.119 1
1 926 . 1 1 1 A 72 72 PHE CA C 72 56.830 57.147 -0.317 1
1 927 . 1 1 1 A 72 72 PHE CB C 72 40.650 39.959 0.691 1
1 928 . 1 1 1 A 72 72 PHE N N 72 124.640 122.045 2.595 1
1 929 . 1 1 1 A 73 73 PRO HA H 73 4.052 4.680 -0.628 1
1 934 . 1 1 1 A 73 73 PRO C C 73 174.500 176.417 -1.917 1
1 935 . 1 1 1 A 73 73 PRO CA C 73 62.460 62.147 0.313 1
1 936 . 1 1 1 A 73 73 PRO CB C 73 30.700 28.824 1.876 1
1 939 . 1 1 1 A 74 74 PHE H H 74 8.382 8.562 -0.180 1
1 940 . 1 1 1 A 74 74 PHE HA H 74 4.235 4.433 -0.198 1
1 945 . 1 1 1 A 74 74 PHE C C 74 175.590 174.550 1.040 1
1 946 . 1 1 1 A 74 74 PHE CA C 74 56.440 61.472 -5.032 1
1 947 . 1 1 1 A 74 74 PHE CB C 74 42.540 39.908 2.632 1
1 950 . 1 1 1 A 74 74 PHE N N 74 128.220 123.354 4.866 1
1 951 . 1 1 1 A 75 75 TYR H H 75 9.185 7.954 1.231 1
1 952 . 1 1 1 A 75 75 TYR HA H 75 3.764 4.920 -1.156 1
1 957 . 1 1 1 A 75 75 TYR C C 75 175.210 175.551 -0.341 1
1 958 . 1 1 1 A 75 75 TYR CA C 75 60.780 56.916 3.864 1
1 959 . 1 1 1 A 75 75 TYR CB C 75 36.110 42.541 -6.431 1
1 962 . 1 1 1 A 75 75 TYR N N 75 128.090 115.881 12.209 1
1 963 . 1 1 1 A 76 76 ASP H H 76 8.306 9.005 -0.699 1
1 964 . 1 1 1 A 76 76 ASP HA H 76 4.075 4.676 -0.601 1
1 967 . 1 1 1 A 76 76 ASP C C 76 175.390 175.554 -0.164 1
1 968 . 1 1 1 A 76 76 ASP CA C 76 56.360 54.989 1.371 1
1 969 . 1 1 1 A 76 76 ASP CB C 76 40.510 40.733 -0.223 1
1 970 . 1 1 1 A 76 76 ASP N N 76 107.370 121.994 -14.624 1
1 971 . 1 1 1 A 77 77 LYS H H 77 7.687 7.646 0.041 1
1 972 . 1 1 1 A 77 77 LYS HA H 77 5.020 4.778 0.242 1
1 981 . 1 1 1 A 77 77 LYS CA C 77 53.450 52.840 0.610 1
1 982 . 1 1 1 A 77 77 LYS CB C 77 34.800 34.218 0.582 1
1 986 . 1 1 1 A 77 77 LYS N N 77 118.880 119.404 -0.524 1
1 987 . 1 1 1 A 78 78 PRO HA H 78 4.240 4.489 -0.249 1
1 994 . 1 1 1 A 78 78 PRO C C 78 177.470 177.193 0.277 1
1 995 . 1 1 1 A 78 78 PRO CA C 78 62.310 62.922 -0.612 1
1 996 . 1 1 1 A 78 78 PRO CB C 78 31.690 32.266 -0.576 1
1 999 . 1 1 1 A 79 79 MET H H 79 8.696 8.571 0.125 1
1 1000 . 1 1 1 A 79 79 MET HA H 79 4.289 4.633 -0.344 1
1 1008 . 1 1 1 A 79 79 MET C C 79 175.960 176.165 -0.205 1
1 1009 . 1 1 1 A 79 79 MET CA C 79 58.600 56.637 1.963 1
1 1010 . 1 1 1 A 79 79 MET CB C 79 35.200 33.387 1.813 1
1 1013 . 1 1 1 A 79 79 MET N N 79 126.540 121.989 4.551 1
1 1014 . 1 1 1 A 80 80 GLN H H 80 7.779 8.565 -0.786 1
1 1015 . 1 1 1 A 80 80 GLN HA H 80 4.855 5.389 -0.534 1
1 1022 . 1 1 1 A 80 80 GLN C C 80 174.820 174.565 0.255 1
1 1023 . 1 1 1 A 80 80 GLN CA C 80 54.550 54.377 0.173 1
1 1024 . 1 1 1 A 80 80 GLN CB C 80 29.320 31.703 -2.383 1
1 1026 . 1 1 1 A 80 80 GLN N N 80 122.810 119.377 3.433 1
1 1028 . 1 1 1 A 81 81 ILE H H 81 9.682 9.068 0.614 1
1 1029 . 1 1 1 A 81 81 ILE HA H 81 5.010 4.994 0.016 1
1 1039 . 1 1 1 A 81 81 ILE C C 81 174.710 174.440 0.270 1
1 1040 . 1 1 1 A 81 81 ILE CA C 81 60.900 59.905 0.995 1
1 1041 . 1 1 1 A 81 81 ILE CB C 81 40.120 42.492 -2.372 1
1 1045 . 1 1 1 A 81 81 ILE N N 81 126.070 123.667 2.403 1
1 1046 . 1 1 1 A 82 82 ALA H H 82 9.039 8.606 0.433 1
1 1047 . 1 1 1 A 82 82 ALA HA H 82 4.620 5.167 -0.547 1
1 1051 . 1 1 1 A 82 82 ALA C C 82 176.700 175.314 1.386 1
1 1052 . 1 1 1 A 82 82 ALA CA C 82 50.890 50.910 -0.020 1
1 1053 . 1 1 1 A 82 82 ALA CB C 82 23.420 23.856 -0.436 1
1 1054 . 1 1 1 A 82 82 ALA N N 82 130.310 125.450 4.860 1
1 1055 . 1 1 1 A 83 83 TYR H H 83 8.411 8.726 -0.315 1
1 1056 . 1 1 1 A 83 83 TYR HA H 83 4.905 4.790 0.115 1
1 1061 . 1 1 1 A 83 83 TYR C C 83 176.900 175.998 0.902 1
1 1062 . 1 1 1 A 83 83 TYR CA C 83 59.280 57.015 2.265 1
1 1063 . 1 1 1 A 83 83 TYR CB C 83 39.350 39.738 -0.388 1
1 1065 . 1 1 1 A 83 83 TYR N N 83 118.580 118.522 0.058 1
1 1066 . 1 1 1 A 84 84 SER H H 84 8.452 8.936 -0.484 1
1 1067 . 1 1 1 A 84 84 SER HA H 84 4.248 4.354 -0.106 1
1 1070 . 1 1 1 A 84 84 SER C C 84 174.220 174.979 -0.759 1
1 1071 . 1 1 1 A 84 84 SER CA C 84 58.560 58.957 -0.397 1
1 1072 . 1 1 1 A 84 84 SER CB C 84 64.100 64.123 -0.023 1
1 1073 . 1 1 1 A 84 84 SER N N 84 115.040 118.669 -3.629 1
1 1074 . 1 1 1 A 85 85 LYS H H 85 8.443 9.052 -0.609 1
1 1075 . 1 1 1 A 85 85 LYS HA H 85 4.275 3.783 0.492 1
1 1080 . 1 1 1 A 85 85 LYS C C 85 177.080 176.129 0.951 1
1 1081 . 1 1 1 A 85 85 LYS CA C 85 56.960 57.531 -0.571 1
1 1082 . 1 1 1 A 85 85 LYS CB C 85 33.150 29.661 3.489 1
1 1086 . 1 1 1 A 85 85 LYS N N 85 123.610 118.997 4.613 1
1 1087 . 1 1 1 A 86 86 SER H H 86 8.204 7.680 0.524 1
1 1088 . 1 1 1 A 86 86 SER HA H 86 4.335 4.580 -0.245 1
1 1090 . 1 1 1 A 86 86 SER C C 86 174.080 172.689 1.391 1
1 1091 . 1 1 1 A 86 86 SER CA C 86 58.400 57.283 1.117 1
1 1092 . 1 1 1 A 86 86 SER CB C 86 63.750 63.329 0.421 1
1 1093 . 1 1 1 A 86 86 SER N N 86 115.780 113.228 2.552 1
1 1094 . 1 1 1 A 87 87 ASP H H 87 8.435 7.552 0.883 1
1 1095 . 1 1 1 A 87 87 ASP HA H 87 4.578 4.684 -0.106 1
1 1098 . 1 1 1 A 87 87 ASP C C 87 176.630 176.096 0.534 1
1 1099 . 1 1 1 A 87 87 ASP CA C 87 54.260 52.477 1.783 1
1 1100 . 1 1 1 A 87 87 ASP CB C 87 40.780 43.184 -2.404 1
1 1101 . 1 1 1 A 87 87 ASP N N 87 121.910 119.079 2.831 1
1 1102 . 1 1 1 A 88 88 SER H H 88 8.061 8.483 -0.422 1
1 1103 . 1 1 1 A 88 88 SER HA H 88 4.328 4.058 0.270 1
1 1106 . 1 1 1 A 88 88 SER C C 88 174.840 176.138 -1.298 1
1 1107 . 1 1 1 A 88 88 SER CA C 88 58.800 61.333 -2.533 1
1 1108 . 1 1 1 A 88 88 SER CB C 88 63.870 62.859 1.011 1
1 1109 . 1 1 1 A 88 88 SER N N 88 116.440 115.100 1.340 1
1 1110 . 1 1 1 A 89 89 ASP H H 89 8.556 8.171 0.385 1
1 1111 . 1 1 1 A 89 89 ASP HA H 89 4.460 4.394 0.066 1
1 1114 . 1 1 1 A 89 89 ASP C C 89 177.450 178.309 -0.859 1
1 1115 . 1 1 1 A 89 89 ASP CA C 89 56.110 57.710 -1.600 1
1 1116 . 1 1 1 A 89 89 ASP CB C 89 40.500 41.495 -0.995 1
1 1117 . 1 1 1 A 89 89 ASP N N 89 123.080 120.922 2.158 1
1 1118 . 1 1 1 A 90 90 ILE H H 90 7.756 7.433 0.323 1
1 1119 . 1 1 1 A 90 90 ILE HA H 90 3.829 3.732 0.097 1
1 1129 . 1 1 1 A 90 90 ILE C C 90 177.060 178.056 -0.996 1
1 1130 . 1 1 1 A 90 90 ILE CA C 90 63.070 64.587 -1.517 1
1 1131 . 1 1 1 A 90 90 ILE CB C 90 38.290 37.405 0.885 1
1 1135 . 1 1 1 A 90 90 ILE N N 90 119.250 117.928 1.322 1
1 1136 . 1 1 1 A 91 91 VAL H H 91 7.459 8.121 -0.662 1
1 1137 . 1 1 1 A 91 91 VAL HA H 91 3.613 3.507 0.106 1
1 1145 . 1 1 1 A 91 91 VAL C C 91 177.080 177.947 -0.867 1
1 1146 . 1 1 1 A 91 91 VAL CA C 91 65.250 66.564 -1.314 1
1 1147 . 1 1 1 A 91 91 VAL CB C 91 31.970 31.518 0.452 1
1 1150 . 1 1 1 A 91 91 VAL N N 91 121.040 121.574 -0.534 1
1 1151 . 1 1 1 A 92 92 ALA H H 92 8.076 8.254 -0.178 1
1 1152 . 1 1 1 A 92 92 ALA HA H 92 4.098 4.004 0.094 1
1 1156 . 1 1 1 A 92 92 ALA C C 92 179.510 179.815 -0.305 1
1 1157 . 1 1 1 A 92 92 ALA CA C 92 54.180 55.303 -1.123 1
1 1158 . 1 1 1 A 92 92 ALA CB C 92 18.660 18.272 0.388 1
1 1159 . 1 1 1 A 92 92 ALA N N 92 122.880 121.789 1.091 1
1 1160 . 1 1 1 A 93 93 LYS H H 93 7.946 7.894 0.052 1
1 1161 . 1 1 1 A 93 93 LYS HA H 93 4.136 4.112 0.024 1
1 1170 . 1 1 1 A 93 93 LYS C C 93 178.300 179.612 -1.312 1
1 1171 . 1 1 1 A 93 93 LYS CA C 93 58.000 59.230 -1.230 1
1 1172 . 1 1 1 A 93 93 LYS CB C 93 32.550 32.200 0.350 1
1 1176 . 1 1 1 A 93 93 LYS N N 93 118.800 117.858 0.942 1
1 1177 . 1 1 1 A 94 94 ILE H H 94 7.894 7.820 0.074 1
1 1178 . 1 1 1 A 94 94 ILE HA H 94 3.906 3.893 0.013 1
1 1188 . 1 1 1 A 94 94 ILE C C 94 177.720 178.330 -0.610 1
1 1189 . 1 1 1 A 94 94 ILE CA C 94 63.200 62.699 0.501 1
1 1190 . 1 1 1 A 94 94 ILE CB C 94 38.330 37.042 1.288 1
1 1194 . 1 1 1 A 94 94 ILE N N 94 120.760 117.907 2.853 1
1 1195 . 1 1 1 A 95 95 LYS H H 95 8.310 7.808 0.502 1
1 1196 . 1 1 1 A 95 95 LYS HA H 95 4.083 4.149 -0.066 1
1 1205 . 1 1 1 A 95 95 LYS C C 95 177.660 176.811 0.849 1
1 1206 . 1 1 1 A 95 95 LYS CA C 95 57.930 56.564 1.366 1
1 1207 . 1 1 1 A 95 95 LYS CB C 95 32.860 32.897 -0.037 1
1 1211 . 1 1 1 A 95 95 LYS N N 95 121.330 120.633 0.697 1
1 1212 . 1 1 1 A 96 96 GLY H H 96 8.122 7.802 0.320 1
1 1213 . 1 1 1 A 96 96 GLY HA2 H 96 3.999 4.035 -0.036 1
1 1214 . 1 1 1 A 96 96 GLY HA3 H 96 3.999 4.060 -0.061 1
1 1215 . 1 1 1 A 96 96 GLY C C 96 174.640 175.410 -0.770 1
1 1216 . 1 1 1 A 96 96 GLY CA C 96 45.660 45.485 0.175 1
1 1217 . 1 1 1 A 96 96 GLY N N 96 107.870 107.291 0.579 1
1 1218 . 1 1 1 A 97 97 THR H H 97 7.968 8.226 -0.258 1
1 1219 . 1 1 1 A 97 97 THR HA H 97 4.294 4.122 0.172 1
1 1224 . 1 1 1 A 97 97 THR C C 97 174.590 176.487 -1.897 1
1 1225 . 1 1 1 A 97 97 THR CA C 97 62.160 65.361 -3.201 1
1 1226 . 1 1 1 A 97 97 THR CB C 97 69.630 68.974 0.656 1
1 1228 . 1 1 1 A 97 97 THR N N 97 112.820 113.898 -1.078 1
1 1229 . 1 1 1 A 98 98 PHE H H 98 7.938 8.076 -0.138 1
1 1230 . 1 1 1 A 98 98 PHE HA H 98 4.552 4.078 0.474 1
1 1235 . 1 1 1 A 98 98 PHE C C 98 175.370 176.631 -1.261 1
1 1236 . 1 1 1 A 98 98 PHE CA C 98 58.150 61.345 -3.195 1
1 1237 . 1 1 1 A 98 98 PHE CB C 98 39.550 39.531 0.019 1
1 1239 . 1 1 1 A 98 98 PHE N N 98 122.400 124.120 -1.720 1
1 1240 . 1 1 1 A 99 99 LYS H H 99 7.986 7.886 0.100 1
1 1241 . 1 1 1 A 99 99 LYS HA H 99 4.242 4.355 -0.113 1
1 1250 . 1 1 1 A 99 99 LYS C C 99 175.750 176.684 -0.934 1
1 1251 . 1 1 1 A 99 99 LYS CA C 99 56.030 56.514 -0.484 1
1 1252 . 1 1 1 A 99 99 LYS CB C 99 33.390 34.743 -1.353 1
1 1256 . 1 1 1 A 99 99 LYS N N 99 123.810 112.891 10.919 1
1 1257 . 1 1 1 A 100 100 GLU H H 100 8.247 8.269 -0.022 1
1 1258 . 1 1 1 A 100 100 GLU HA H 100 4.202 4.380 -0.178 1
1 1263 . 1 1 1 A 100 100 GLU C C 100 176.210 176.269 -0.059 1
1 1264 . 1 1 1 A 100 100 GLU CA C 100 56.270 56.757 -0.487 1
1 1265 . 1 1 1 A 100 100 GLU CB C 100 30.550 30.344 0.206 1
1 1267 . 1 1 1 A 100 100 GLU N N 100 122.270 121.103 1.167 1
1 1268 . 1 1 1 A 101 101 ARG H H 101 8.415 8.670 -0.255 1
1 1269 . 1 1 1 A 101 101 ARG HA H 101 4.590 4.404 0.186 1
1 1276 . 1 1 1 A 101 101 ARG CA C 101 53.980 54.427 -0.447 1
1 1277 . 1 1 1 A 101 101 ARG CB C 101 30.070 29.690 0.380 1
1 1280 . 1 1 1 A 101 101 ARG N N 101 123.970 122.060 1.910 1
1 1281 . 1 1 1 A 102 102 PRO HA H 102 4.421 4.421 0.000 1
1 1288 . 1 1 1 A 102 102 PRO C C 102 176.700 175.774 0.926 1
1 1289 . 1 1 1 A 102 102 PRO CA C 102 63.090 64.385 -1.295 1
1 1290 . 1 1 1 A 102 102 PRO CB C 102 32.160 32.320 -0.160 1
1 1293 . 1 1 1 A 103 103 LYS H H 103 8.445 7.194 1.251 1
1 1294 . 1 1 1 A 103 103 LYS HA H 103 4.294 4.640 -0.346 1
1 1303 . 1 1 1 A 103 103 LYS C C 103 175.690 175.805 -0.115 1
1 1304 . 1 1 1 A 103 103 LYS CA C 103 56.380 54.851 1.529 1
1 1305 . 1 1 1 A 103 103 LYS CB C 103 33.150 34.739 -1.589 1
1 1309 . 1 1 1 A 103 103 LYS N N 103 122.480 111.569 10.911 1
1 1 . 2 1 1 A 2 2 GLU HA H 2 4.372 4.333 0.039 1
1 6 . 2 1 1 A 2 2 GLU C C 2 175.830 176.891 -1.061 1
1 7 . 2 1 1 A 2 2 GLU CA C 2 56.340 57.135 -0.795 1
1 8 . 2 1 1 A 2 2 GLU CB C 2 30.550 30.216 0.334 1
1 10 . 2 1 1 A 3 3 MET H H 3 8.529 8.875 -0.346 1
1 11 . 2 1 1 A 3 3 MET HA H 3 4.534 4.401 0.133 1
1 19 . 2 1 1 A 3 3 MET C C 3 175.350 176.411 -1.061 1
1 20 . 2 1 1 A 3 3 MET CA C 3 54.950 55.671 -0.721 1
1 21 . 2 1 1 A 3 3 MET CB C 3 33.150 33.224 -0.074 1
1 24 . 2 1 1 A 3 3 MET N N 3 122.340 121.213 1.127 1
1 25 . 2 1 1 A 4 4 LEU H H 4 8.265 8.277 -0.012 1
1 26 . 2 1 1 A 4 4 LEU HA H 4 4.579 4.058 0.521 1
1 36 . 2 1 1 A 4 4 LEU CA C 4 52.620 53.650 -1.030 1
1 37 . 2 1 1 A 4 4 LEU CB C 4 41.780 41.571 0.209 1
1 41 . 2 1 1 A 4 4 LEU N N 4 125.280 123.386 1.894 1
1 42 . 2 1 1 A 5 5 PRO HA H 5 4.268 4.604 -0.336 1
1 49 . 2 1 1 A 5 5 PRO C C 5 175.390 175.068 0.322 1
1 50 . 2 1 1 A 5 5 PRO CA C 5 62.620 63.344 -0.724 1
1 51 . 2 1 1 A 5 5 PRO CB C 5 32.300 32.168 0.132 1
1 54 . 2 1 1 A 6 6 ASN H H 6 6.913 9.002 -2.089 1
1 55 . 2 1 1 A 6 6 ASN HA H 6 4.460 5.112 -0.652 1
1 60 . 2 1 1 A 6 6 ASN C C 6 172.390 175.229 -2.839 1
1 61 . 2 1 1 A 6 6 ASN CA C 6 52.920 52.513 0.407 1
1 62 . 2 1 1 A 6 6 ASN CB C 6 41.920 41.840 0.080 1
1 63 . 2 1 1 A 6 6 ASN N N 6 117.610 121.976 -4.366 1
1 65 . 2 1 1 A 7 7 GLN H H 7 8.465 8.887 -0.422 1
1 66 . 2 1 1 A 7 7 GLN HA H 7 4.164 4.211 -0.047 1
1 73 . 2 1 1 A 7 7 GLN C C 7 175.020 175.584 -0.564 1
1 74 . 2 1 1 A 7 7 GLN CA C 7 58.100 57.738 0.362 1
1 75 . 2 1 1 A 7 7 GLN CB C 7 29.270 29.199 0.071 1
1 77 . 2 1 1 A 7 7 GLN N N 7 116.430 123.062 -6.632 1
1 79 . 2 1 1 A 8 8 THR H H 8 8.374 7.711 0.663 1
1 80 . 2 1 1 A 8 8 THR HA H 8 5.399 5.493 -0.094 1
1 85 . 2 1 1 A 8 8 THR C C 8 173.700 174.212 -0.512 1
1 86 . 2 1 1 A 8 8 THR CA C 8 62.380 61.300 1.080 1
1 87 . 2 1 1 A 8 8 THR CB C 8 69.100 72.886 -3.786 1
1 89 . 2 1 1 A 8 8 THR N N 8 118.220 111.336 6.884 1
1 90 . 2 1 1 A 9 9 ILE H H 9 8.794 9.225 -0.431 1
1 91 . 2 1 1 A 9 9 ILE HA H 9 5.085 5.470 -0.385 1
1 101 . 2 1 1 A 9 9 ILE C C 9 173.490 173.968 -0.478 1
1 102 . 2 1 1 A 9 9 ILE CA C 9 59.000 59.289 -0.289 1
1 103 . 2 1 1 A 9 9 ILE CB C 9 39.710 42.344 -2.634 1
1 107 . 2 1 1 A 9 9 ILE N N 9 118.250 120.923 -2.673 1
1 108 . 2 1 1 A 10 10 TYR H H 10 9.384 9.190 0.194 1
1 109 . 2 1 1 A 10 10 TYR HA H 10 5.032 5.136 -0.104 1
1 116 . 2 1 1 A 10 10 TYR C C 10 173.920 173.359 0.561 1
1 117 . 2 1 1 A 10 10 TYR CA C 10 55.240 55.923 -0.683 1
1 118 . 2 1 1 A 10 10 TYR CB C 10 40.700 41.415 -0.715 1
1 123 . 2 1 1 A 10 10 TYR N N 10 124.310 124.444 -0.134 1
1 124 . 2 1 1 A 11 11 ILE H H 11 9.000 8.789 0.211 1
1 125 . 2 1 1 A 11 11 ILE HA H 11 4.629 4.516 0.113 1
1 135 . 2 1 1 A 11 11 ILE C C 11 180.280 176.066 4.214 1
1 136 . 2 1 1 A 11 11 ILE CA C 11 60.050 59.626 0.424 1
1 137 . 2 1 1 A 11 11 ILE CB C 11 40.350 39.380 0.970 1
1 141 . 2 1 1 A 11 11 ILE N N 11 126.640 127.130 -0.490 1
1 142 . 2 1 1 A 12 12 ASN H H 12 8.844 8.731 0.113 1
1 143 . 2 1 1 A 12 12 ASN HA H 12 5.267 4.730 0.537 1
1 148 . 2 1 1 A 12 12 ASN C C 12 174.640 174.630 0.010 1
1 149 . 2 1 1 A 12 12 ASN CA C 12 50.860 51.745 -0.885 1
1 150 . 2 1 1 A 12 12 ASN CB C 12 41.400 38.831 2.569 1
1 151 . 2 1 1 A 12 12 ASN N N 12 123.520 119.273 4.247 1
1 153 . 2 1 1 A 13 13 ASN H H 13 8.689 7.823 0.866 1
1 154 . 2 1 1 A 13 13 ASN HA H 13 4.456 4.931 -0.475 1
1 159 . 2 1 1 A 13 13 ASN C C 13 176.140 173.834 2.306 1
1 160 . 2 1 1 A 13 13 ASN CA C 13 53.920 51.894 2.026 1
1 161 . 2 1 1 A 13 13 ASN CB C 13 39.360 39.473 -0.113 1
1 162 . 2 1 1 A 13 13 ASN N N 13 115.910 118.970 -3.060 1
1 164 . 2 1 1 A 14 14 LEU H H 14 8.221 7.408 0.813 1
1 165 . 2 1 1 A 14 14 LEU HA H 14 4.350 4.333 0.017 1
1 175 . 2 1 1 A 14 14 LEU C C 14 177.880 176.098 1.782 1
1 176 . 2 1 1 A 14 14 LEU CA C 14 54.000 55.248 -1.248 1
1 177 . 2 1 1 A 14 14 LEU CB C 14 42.830 42.799 0.031 1
1 181 . 2 1 1 A 14 14 LEU N N 14 116.310 124.285 -7.975 1
1 182 . 2 1 1 A 15 15 ASN H H 15 9.226 8.771 0.455 1
1 183 . 2 1 1 A 15 15 ASN HA H 15 4.225 4.845 -0.620 1
1 188 . 2 1 1 A 15 15 ASN C C 15 176.150 176.545 -0.395 1
1 189 . 2 1 1 A 15 15 ASN CA C 15 54.210 53.184 1.026 1
1 190 . 2 1 1 A 15 15 ASN CB C 15 38.050 39.301 -1.251 1
1 191 . 2 1 1 A 15 15 ASN N N 15 120.300 124.169 -3.869 1
1 193 . 2 1 1 A 16 16 GLU H H 16 9.234 8.792 0.442 1
1 194 . 2 1 1 A 16 16 GLU HA H 16 4.110 4.203 -0.093 1
1 199 . 2 1 1 A 16 16 GLU C C 16 176.510 178.085 -1.575 1
1 200 . 2 1 1 A 16 16 GLU CA C 16 57.800 58.731 -0.931 1
1 201 . 2 1 1 A 16 16 GLU CB C 16 29.300 29.006 0.294 1
1 203 . 2 1 1 A 16 16 GLU N N 16 128.160 126.103 2.057 1
1 204 . 2 1 1 A 17 17 LYS H H 17 8.421 8.031 0.390 1
1 205 . 2 1 1 A 17 17 LYS HA H 17 4.170 4.156 0.014 1
1 214 . 2 1 1 A 17 17 LYS C C 17 176.700 176.850 -0.150 1
1 215 . 2 1 1 A 17 17 LYS CA C 17 56.750 58.535 -1.785 1
1 216 . 2 1 1 A 17 17 LYS CB C 17 32.370 31.818 0.552 1
1 220 . 2 1 1 A 17 17 LYS N N 17 118.450 116.738 1.712 1
1 221 . 2 1 1 A 18 18 ILE H H 18 6.751 7.183 -0.432 1
1 222 . 2 1 1 A 18 18 ILE HA H 18 3.830 3.801 0.029 1
1 232 . 2 1 1 A 18 18 ILE C C 18 176.560 176.064 0.496 1
1 233 . 2 1 1 A 18 18 ILE CA C 18 58.640 61.896 -3.256 1
1 234 . 2 1 1 A 18 18 ILE CB C 18 35.940 37.971 -2.031 1
1 238 . 2 1 1 A 18 18 ILE N N 18 118.790 122.603 -3.813 1
1 239 . 2 1 1 A 19 19 LYS H H 19 8.815 8.512 0.303 1
1 240 . 2 1 1 A 19 19 LYS HA H 19 4.189 4.142 0.047 1
1 249 . 2 1 1 A 19 19 LYS C C 19 178.340 177.834 0.506 1
1 250 . 2 1 1 A 19 19 LYS CA C 19 57.250 56.754 0.496 1
1 251 . 2 1 1 A 19 19 LYS CB C 19 32.800 33.480 -0.680 1
1 255 . 2 1 1 A 19 19 LYS N N 19 129.030 128.645 0.385 1
1 256 . 2 1 1 A 20 20 LYS H H 20 9.032 8.962 0.070 1
1 257 . 2 1 1 A 20 20 LYS HA H 20 3.854 3.920 -0.066 1
1 266 . 2 1 1 A 20 20 LYS C C 20 178.390 178.963 -0.573 1
1 267 . 2 1 1 A 20 20 LYS CA C 20 59.740 59.632 0.108 1
1 268 . 2 1 1 A 20 20 LYS CB C 20 31.390 32.173 -0.783 1
1 272 . 2 1 1 A 20 20 LYS N N 20 123.440 125.453 -2.013 1
1 273 . 2 1 1 A 21 21 GLU H H 21 9.341 8.081 1.260 1
1 274 . 2 1 1 A 21 21 GLU HA H 21 4.074 4.133 -0.059 1
1 279 . 2 1 1 A 21 21 GLU C C 21 179.120 179.295 -0.175 1
1 280 . 2 1 1 A 21 21 GLU CA C 21 60.270 59.281 0.989 1
1 281 . 2 1 1 A 21 21 GLU CB C 21 28.840 29.187 -0.347 1
1 283 . 2 1 1 A 21 21 GLU N N 21 117.890 119.811 -1.921 1
1 284 . 2 1 1 A 22 22 GLU H H 22 6.994 8.119 -1.125 1
1 285 . 2 1 1 A 22 22 GLU HA H 22 4.166 4.096 0.070 1
1 290 . 2 1 1 A 22 22 GLU C C 22 178.200 179.048 -0.848 1
1 291 . 2 1 1 A 22 22 GLU CA C 22 58.530 59.074 -0.544 1
1 292 . 2 1 1 A 22 22 GLU CB C 22 29.180 29.719 -0.539 1
1 294 . 2 1 1 A 22 22 GLU N N 22 119.810 120.054 -0.244 1
1 295 . 2 1 1 A 23 23 LEU H H 23 8.462 8.461 0.001 1
1 296 . 2 1 1 A 23 23 LEU HA H 23 3.981 4.177 -0.196 1
1 306 . 2 1 1 A 23 23 LEU C C 23 178.780 178.691 0.089 1
1 307 . 2 1 1 A 23 23 LEU CA C 23 58.840 58.285 0.555 1
1 308 . 2 1 1 A 23 23 LEU CB C 23 42.420 41.739 0.681 1
1 312 . 2 1 1 A 23 23 LEU N N 23 121.220 121.535 -0.315 1
1 313 . 2 1 1 A 24 24 LYS H H 24 8.411 8.322 0.089 1
1 314 . 2 1 1 A 24 24 LYS HA H 24 3.808 3.741 0.067 1
1 323 . 2 1 1 A 24 24 LYS C C 24 178.200 178.914 -0.714 1
1 324 . 2 1 1 A 24 24 LYS CA C 24 61.500 60.331 1.169 1
1 325 . 2 1 1 A 24 24 LYS CB C 24 32.500 32.390 0.110 1
1 329 . 2 1 1 A 24 24 LYS N N 24 116.620 118.686 -2.066 1
1 330 . 2 1 1 A 25 25 LYS H H 25 7.592 8.133 -0.541 1
1 331 . 2 1 1 A 25 25 LYS HA H 25 4.181 4.213 -0.032 1
1 340 . 2 1 1 A 25 25 LYS C C 25 180.280 179.062 1.218 1
1 341 . 2 1 1 A 25 25 LYS CA C 25 60.140 59.470 0.670 1
1 342 . 2 1 1 A 25 25 LYS CB C 25 32.690 32.334 0.356 1
1 346 . 2 1 1 A 25 25 LYS N N 25 118.830 120.617 -1.787 1
1 347 . 2 1 1 A 26 26 SER H H 26 8.845 8.512 0.333 1
1 348 . 2 1 1 A 26 26 SER HA H 26 4.570 4.196 0.374 1
1 351 . 2 1 1 A 26 26 SER C C 26 176.880 176.402 0.478 1
1 352 . 2 1 1 A 26 26 SER CA C 26 62.210 62.592 -0.382 1
1 353 . 2 1 1 A 26 26 SER CB C 26 63.320 63.061 0.259 1
1 354 . 2 1 1 A 26 26 SER N N 26 117.880 117.392 0.488 1
1 355 . 2 1 1 A 27 27 LEU H H 27 9.040 8.513 0.527 1
1 356 . 2 1 1 A 27 27 LEU HA H 27 4.190 4.159 0.031 1
1 366 . 2 1 1 A 27 27 LEU C C 27 179.100 178.965 0.135 1
1 367 . 2 1 1 A 27 27 LEU CA C 27 57.960 57.771 0.189 1
1 368 . 2 1 1 A 27 27 LEU CB C 27 43.030 41.864 1.166 1
1 372 . 2 1 1 A 27 27 LEU N N 27 122.840 121.098 1.742 1
1 373 . 2 1 1 A 28 28 TYR H H 28 8.535 8.365 0.170 1
1 374 . 2 1 1 A 28 28 TYR HA H 28 3.826 4.364 -0.538 1
1 379 . 2 1 1 A 28 28 TYR C C 28 178.360 177.979 0.381 1
1 380 . 2 1 1 A 28 28 TYR CA C 28 63.220 61.394 1.826 1
1 381 . 2 1 1 A 28 28 TYR CB C 28 38.320 37.383 0.937 1
1 384 . 2 1 1 A 28 28 TYR N N 28 121.030 118.084 2.946 1
1 385 . 2 1 1 A 29 29 ALA H H 29 8.009 8.241 -0.232 1
1 386 . 2 1 1 A 29 29 ALA HA H 29 3.364 4.203 -0.839 1
1 390 . 2 1 1 A 29 29 ALA CA C 29 55.420 54.925 0.495 1
1 391 . 2 1 1 A 29 29 ALA CB C 29 18.920 18.785 0.135 1
1 392 . 2 1 1 A 29 29 ALA N N 29 120.570 122.257 -1.687 1
1 393 . 2 1 1 A 30 30 ILE HA H 30 4.048 4.422 -0.374 1
1 403 . 2 1 1 A 30 30 ILE C C 30 177.270 177.836 -0.566 1
1 404 . 2 1 1 A 30 30 ILE CA C 30 63.380 61.874 1.506 1
1 405 . 2 1 1 A 30 30 ILE CB C 30 38.850 39.518 -0.668 1
1 409 . 2 1 1 A 31 31 PHE H H 31 8.446 8.561 -0.115 1
1 410 . 2 1 1 A 31 31 PHE HA H 31 4.900 4.551 0.349 1
1 415 . 2 1 1 A 31 31 PHE C C 31 177.820 178.381 -0.561 1
1 416 . 2 1 1 A 31 31 PHE CA C 31 62.380 60.344 2.036 1
1 417 . 2 1 1 A 31 31 PHE CB C 31 38.900 38.031 0.869 1
1 418 . 2 1 1 A 31 31 PHE N N 31 115.770 121.603 -5.833 1
1 419 . 2 1 1 A 32 32 SER H H 32 8.392 8.217 0.175 1
1 420 . 2 1 1 A 32 32 SER HA H 32 4.365 4.517 -0.152 1
1 423 . 2 1 1 A 32 32 SER C C 32 176.140 176.537 -0.397 1
1 424 . 2 1 1 A 32 32 SER CA C 32 61.680 62.311 -0.631 1
1 425 . 2 1 1 A 32 32 SER CB C 32 62.460 62.985 -0.525 1
1 426 . 2 1 1 A 32 32 SER N N 32 116.890 115.692 1.198 1
1 427 . 2 1 1 A 33 33 GLN H H 33 7.310 7.862 -0.552 1
1 428 . 2 1 1 A 33 33 GLN HA H 33 4.059 4.007 0.052 1
1 435 . 2 1 1 A 33 33 GLN C C 33 176.330 176.339 -0.009 1
1 436 . 2 1 1 A 33 33 GLN CA C 33 57.220 57.309 -0.089 1
1 437 . 2 1 1 A 33 33 GLN CB C 33 28.040 28.113 -0.073 1
1 439 . 2 1 1 A 33 33 GLN N N 33 117.530 119.288 -1.758 1
1 441 . 2 1 1 A 34 34 PHE H H 34 7.626 7.597 0.029 1
1 442 . 2 1 1 A 34 34 PHE HA H 34 4.435 4.603 -0.168 1
1 447 . 2 1 1 A 34 34 PHE C C 34 175.590 175.810 -0.220 1
1 448 . 2 1 1 A 34 34 PHE CA C 34 59.410 58.086 1.324 1
1 449 . 2 1 1 A 34 34 PHE CB C 34 39.380 39.804 -0.424 1
1 452 . 2 1 1 A 34 34 PHE N N 34 116.090 116.708 -0.618 1
1 453 . 2 1 1 A 35 35 GLY H H 35 7.595 7.423 0.172 1
1 454 . 2 1 1 A 35 35 GLY HA2 H 35 3.960 4.039 -0.079 1
1 455 . 2 1 1 A 35 35 GLY HA3 H 35 4.612 4.064 0.548 1
1 456 . 2 1 1 A 35 35 GLY C C 35 170.890 174.629 -3.739 1
1 457 . 2 1 1 A 35 35 GLY CA C 35 44.160 45.529 -1.369 1
1 458 . 2 1 1 A 35 35 GLY N N 35 107.470 105.690 1.780 1
1 459 . 2 1 1 A 36 36 GLN H H 36 8.404 8.523 -0.119 1
1 460 . 2 1 1 A 36 36 GLN HA H 36 4.275 4.212 0.063 1
1 467 . 2 1 1 A 36 36 GLN C C 36 176.650 175.128 1.522 1
1 468 . 2 1 1 A 36 36 GLN CA C 36 57.180 56.623 0.557 1
1 469 . 2 1 1 A 36 36 GLN CB C 36 29.360 27.580 1.780 1
1 471 . 2 1 1 A 36 36 GLN N N 36 116.620 118.803 -2.183 1
1 473 . 2 1 1 A 37 37 ILE H H 37 9.009 8.394 0.615 1
1 474 . 2 1 1 A 37 37 ILE HA H 37 4.068 3.647 0.421 1
1 484 . 2 1 1 A 37 37 ILE C C 37 176.530 175.865 0.665 1
1 485 . 2 1 1 A 37 37 ILE CA C 37 61.270 62.260 -0.990 1
1 486 . 2 1 1 A 37 37 ILE CB C 37 40.600 37.814 2.786 1
1 490 . 2 1 1 A 37 37 ILE N N 37 129.370 127.727 1.643 1
1 491 . 2 1 1 A 38 38 LEU H H 38 9.472 9.439 0.033 1
1 492 . 2 1 1 A 38 38 LEU HA H 38 4.291 4.630 -0.339 1
1 502 . 2 1 1 A 38 38 LEU C C 38 176.900 175.345 1.555 1
1 503 . 2 1 1 A 38 38 LEU CA C 38 56.520 56.136 0.384 1
1 504 . 2 1 1 A 38 38 LEU CB C 38 42.030 44.486 -2.456 1
1 508 . 2 1 1 A 38 38 LEU N N 38 128.180 128.218 -0.038 1
1 509 . 2 1 1 A 39 39 ASP H H 39 7.493 7.713 -0.220 1
1 510 . 2 1 1 A 39 39 ASP HA H 39 4.715 5.001 -0.286 1
1 513 . 2 1 1 A 39 39 ASP C C 39 173.560 173.657 -0.097 1
1 514 . 2 1 1 A 39 39 ASP CA C 39 53.510 53.461 0.049 1
1 515 . 2 1 1 A 39 39 ASP CB C 39 44.160 44.065 0.095 1
1 516 . 2 1 1 A 39 39 ASP N N 39 114.640 117.299 -2.659 1
1 517 . 2 1 1 A 40 40 ILE H H 40 8.537 8.513 0.024 1
1 518 . 2 1 1 A 40 40 ILE HA H 40 4.722 4.741 -0.019 1
1 528 . 2 1 1 A 40 40 ILE C C 40 174.090 175.019 -0.929 1
1 529 . 2 1 1 A 40 40 ILE CA C 40 61.060 59.824 1.236 1
1 530 . 2 1 1 A 40 40 ILE CB C 40 41.220 42.119 -0.899 1
1 534 . 2 1 1 A 40 40 ILE N N 40 119.670 121.982 -2.312 1
1 535 . 2 1 1 A 41 41 VAL H H 41 8.807 8.796 0.011 1
1 536 . 2 1 1 A 41 41 VAL HA H 41 4.195 4.676 -0.481 1
1 544 . 2 1 1 A 41 41 VAL C C 41 174.470 174.742 -0.272 1
1 545 . 2 1 1 A 41 41 VAL CA C 41 61.020 61.800 -0.780 1
1 546 . 2 1 1 A 41 41 VAL CB C 41 34.160 33.819 0.341 1
1 549 . 2 1 1 A 41 41 VAL N N 41 127.000 126.485 0.515 1
1 550 . 2 1 1 A 42 42 ALA H H 42 8.708 8.848 -0.140 1
1 551 . 2 1 1 A 42 42 ALA HA H 42 4.796 5.215 -0.419 1
1 555 . 2 1 1 A 42 42 ALA C C 42 175.210 175.541 -0.331 1
1 556 . 2 1 1 A 42 42 ALA CA C 42 51.430 50.913 0.517 1
1 557 . 2 1 1 A 42 42 ALA CB C 42 19.780 22.835 -3.055 1
1 558 . 2 1 1 A 42 42 ALA N N 42 130.100 128.691 1.409 1
1 559 . 2 1 1 A 43 43 LEU H H 43 8.224 8.715 -0.491 1
1 560 . 2 1 1 A 43 43 LEU HA H 43 4.575 4.957 -0.382 1
1 570 . 2 1 1 A 43 43 LEU CA C 43 54.620 53.629 0.991 1
1 571 . 2 1 1 A 43 43 LEU CB C 43 43.640 45.687 -2.047 1
1 575 . 2 1 1 A 43 43 LEU N N 43 122.270 122.313 -0.043 1
1 576 . 2 1 1 A 44 44 LYS HA H 44 4.570 4.232 0.338 1
1 585 . 2 1 1 A 44 44 LYS CA C 44 56.000 58.080 -2.080 1
1 586 . 2 1 1 A 44 44 LYS CB C 44 32.940 32.733 0.207 1
1 590 . 2 1 1 A 45 45 THR H H 45 7.706 7.436 0.270 1
1 591 . 2 1 1 A 45 45 THR HA H 45 4.494 4.252 0.242 1
1 596 . 2 1 1 A 45 45 THR CA C 45 60.500 61.958 -1.458 1
1 597 . 2 1 1 A 45 45 THR CB C 45 70.450 70.051 0.399 1
1 599 . 2 1 1 A 45 45 THR N N 45 113.650 112.420 1.230 1
1 600 . 2 1 1 A 46 46 LEU HA H 46 4.142 3.995 0.147 1
1 610 . 2 1 1 A 46 46 LEU C C 46 179.030 178.906 0.124 1
1 611 . 2 1 1 A 46 46 LEU CA C 46 57.630 58.182 -0.552 1
1 612 . 2 1 1 A 46 46 LEU CB C 46 42.020 41.450 0.570 1
1 616 . 2 1 1 A 47 47 LYS H H 47 8.325 7.978 0.347 1
1 617 . 2 1 1 A 47 47 LYS HA H 47 4.139 4.004 0.135 1
1 626 . 2 1 1 A 47 47 LYS C C 47 176.700 177.457 -0.757 1
1 627 . 2 1 1 A 47 47 LYS CA C 47 57.800 58.526 -0.726 1
1 628 . 2 1 1 A 47 47 LYS CB C 47 32.440 32.178 0.262 1
1 632 . 2 1 1 A 47 47 LYS N N 47 116.870 119.584 -2.714 1
1 633 . 2 1 1 A 48 48 MET H H 48 7.649 7.818 -0.169 1
1 634 . 2 1 1 A 48 48 MET HA H 48 4.581 4.826 -0.245 1
1 642 . 2 1 1 A 48 48 MET C C 48 175.550 176.643 -1.093 1
1 643 . 2 1 1 A 48 48 MET CA C 48 54.970 55.021 -0.051 1
1 644 . 2 1 1 A 48 48 MET CB C 48 32.770 33.904 -1.134 1
1 647 . 2 1 1 A 48 48 MET N N 48 116.090 116.304 -0.214 1
1 648 . 2 1 1 A 49 49 ARG H H 49 7.653 7.631 0.022 1
1 649 . 2 1 1 A 49 49 ARG HA H 49 4.377 4.023 0.354 1
1 656 . 2 1 1 A 49 49 ARG C C 49 177.450 177.492 -0.042 1
1 657 . 2 1 1 A 49 49 ARG CA C 49 57.250 59.674 -2.424 1
1 658 . 2 1 1 A 49 49 ARG CB C 49 30.400 30.276 0.124 1
1 661 . 2 1 1 A 49 49 ARG N N 49 119.580 121.831 -2.251 1
1 662 . 2 1 1 A 50 50 GLY H H 50 9.177 7.702 1.475 1
1 663 . 2 1 1 A 50 50 GLY HA2 H 50 3.960 4.059 -0.099 1
1 664 . 2 1 1 A 50 50 GLY HA3 H 50 4.107 4.059 0.048 1
1 665 . 2 1 1 A 50 50 GLY C C 50 172.960 173.921 -0.961 1
1 666 . 2 1 1 A 50 50 GLY CA C 50 46.140 45.665 0.475 1
1 667 . 2 1 1 A 50 50 GLY N N 50 111.640 105.364 6.276 1
1 668 . 2 1 1 A 51 51 GLN H H 51 7.853 7.734 0.119 1
1 669 . 2 1 1 A 51 51 GLN HA H 51 5.516 4.839 0.677 1
1 675 . 2 1 1 A 51 51 GLN C C 51 174.800 173.825 0.975 1
1 676 . 2 1 1 A 51 51 GLN CA C 51 54.160 53.968 0.192 1
1 677 . 2 1 1 A 51 51 GLN CB C 51 34.330 32.665 1.665 1
1 679 . 2 1 1 A 51 51 GLN N N 51 117.000 116.541 0.459 1
1 681 . 2 1 1 A 52 52 ALA H H 52 8.765 8.165 0.600 1
1 682 . 2 1 1 A 52 52 ALA HA H 52 5.098 4.922 0.176 1
1 686 . 2 1 1 A 52 52 ALA C C 52 174.820 175.453 -0.633 1
1 687 . 2 1 1 A 52 52 ALA CA C 52 51.170 51.249 -0.079 1
1 688 . 2 1 1 A 52 52 ALA CB C 52 23.350 23.506 -0.156 1
1 689 . 2 1 1 A 52 52 ALA N N 52 121.050 120.729 0.321 1
1 690 . 2 1 1 A 53 53 PHE H H 53 8.840 8.955 -0.115 1
1 691 . 2 1 1 A 53 53 PHE HA H 53 5.615 5.620 -0.005 1
1 696 . 2 1 1 A 53 53 PHE C C 53 174.870 174.545 0.325 1
1 697 . 2 1 1 A 53 53 PHE CA C 53 55.770 56.541 -0.771 1
1 698 . 2 1 1 A 53 53 PHE CB C 53 41.530 44.004 -2.474 1
1 701 . 2 1 1 A 53 53 PHE N N 53 115.860 116.721 -0.861 1
1 702 . 2 1 1 A 54 54 VAL H H 54 8.766 8.601 0.165 1
1 703 . 2 1 1 A 54 54 VAL HA H 54 4.169 4.630 -0.461 1
1 711 . 2 1 1 A 54 54 VAL C C 54 173.330 173.478 -0.148 1
1 712 . 2 1 1 A 54 54 VAL CA C 54 61.920 60.126 1.794 1
1 713 . 2 1 1 A 54 54 VAL CB C 54 32.860 35.339 -2.479 1
1 716 . 2 1 1 A 54 54 VAL N N 54 121.920 119.062 2.858 1
1 717 . 2 1 1 A 55 55 ILE H H 55 8.319 9.039 -0.720 1
1 718 . 2 1 1 A 55 55 ILE HA H 55 4.512 5.320 -0.808 1
1 728 . 2 1 1 A 55 55 ILE C C 55 173.920 174.582 -0.662 1
1 729 . 2 1 1 A 55 55 ILE CA C 55 60.880 59.929 0.951 1
1 730 . 2 1 1 A 55 55 ILE CB C 55 39.130 40.127 -0.997 1
1 734 . 2 1 1 A 55 55 ILE N N 55 126.350 127.517 -1.167 1
1 735 . 2 1 1 A 56 56 PHE H H 56 9.009 8.913 0.096 1
1 736 . 2 1 1 A 56 56 PHE HA H 56 4.889 4.991 -0.102 1
1 741 . 2 1 1 A 56 56 PHE C C 56 175.180 176.259 -1.079 1
1 742 . 2 1 1 A 56 56 PHE CA C 56 59.030 57.067 1.963 1
1 743 . 2 1 1 A 56 56 PHE CB C 56 40.320 43.314 -2.994 1
1 744 . 2 1 1 A 56 56 PHE N N 56 126.440 125.387 1.053 1
1 745 . 2 1 1 A 57 57 LYS H H 57 8.191 8.470 -0.279 1
1 746 . 2 1 1 A 57 57 LYS HA H 57 3.969 4.108 -0.139 1
1 755 . 2 1 1 A 57 57 LYS C C 57 176.140 176.415 -0.275 1
1 756 . 2 1 1 A 57 57 LYS CA C 57 59.290 59.214 0.076 1
1 757 . 2 1 1 A 57 57 LYS CB C 57 33.850 32.814 1.036 1
1 761 . 2 1 1 A 57 57 LYS N N 57 119.130 121.436 -2.306 1
1 762 . 2 1 1 A 58 58 GLU H H 58 8.614 7.973 0.641 1
1 763 . 2 1 1 A 58 58 GLU HA H 58 4.850 4.630 0.220 1
1 768 . 2 1 1 A 58 58 GLU C C 58 177.130 176.261 0.869 1
1 769 . 2 1 1 A 58 58 GLU CA C 58 54.130 55.571 -1.441 1
1 770 . 2 1 1 A 58 58 GLU CB C 58 32.230 32.970 -0.740 1
1 772 . 2 1 1 A 58 58 GLU N N 58 114.350 115.434 -1.084 1
1 773 . 2 1 1 A 59 59 ILE H H 59 8.825 8.753 0.072 1
1 774 . 2 1 1 A 59 59 ILE HA H 59 3.499 3.828 -0.329 1
1 784 . 2 1 1 A 59 59 ILE C C 59 177.650 178.272 -0.622 1
1 785 . 2 1 1 A 59 59 ILE CA C 59 65.660 64.275 1.385 1
1 786 . 2 1 1 A 59 59 ILE CB C 59 38.040 37.711 0.329 1
1 790 . 2 1 1 A 59 59 ILE N N 59 122.940 122.994 -0.054 1
1 791 . 2 1 1 A 60 60 GLY H H 60 8.875 8.371 0.504 1
1 792 . 2 1 1 A 60 60 GLY HA2 H 60 3.780 3.811 -0.031 1
1 793 . 2 1 1 A 60 60 GLY HA3 H 60 3.925 3.822 0.103 1
1 794 . 2 1 1 A 60 60 GLY C C 60 176.700 176.790 -0.090 1
1 795 . 2 1 1 A 60 60 GLY CA C 60 47.070 47.531 -0.461 1
1 796 . 2 1 1 A 60 60 GLY N N 60 106.980 110.660 -3.680 1
1 797 . 2 1 1 A 61 61 SER H H 61 6.973 8.093 -1.120 1
1 798 . 2 1 1 A 61 61 SER HA H 61 4.141 4.252 -0.111 1
1 801 . 2 1 1 A 61 61 SER C C 61 174.060 176.207 -2.147 1
1 802 . 2 1 1 A 61 61 SER CA C 61 61.870 62.536 -0.666 1
1 803 . 2 1 1 A 61 61 SER CB C 61 63.150 62.725 0.425 1
1 804 . 2 1 1 A 61 61 SER N N 61 116.200 119.349 -3.149 1
1 805 . 2 1 1 A 62 62 ALA H H 62 6.786 8.347 -1.561 1
1 806 . 2 1 1 A 62 62 ALA HA H 62 3.370 3.360 0.010 1
1 810 . 2 1 1 A 62 62 ALA C C 62 178.960 179.562 -0.602 1
1 811 . 2 1 1 A 62 62 ALA CA C 62 55.370 54.951 0.419 1
1 812 . 2 1 1 A 62 62 ALA CB C 62 19.030 18.581 0.449 1
1 813 . 2 1 1 A 62 62 ALA N N 62 123.660 123.922 -0.262 1
1 814 . 2 1 1 A 63 63 SER H H 63 8.379 8.095 0.284 1
1 815 . 2 1 1 A 63 63 SER HA H 63 4.551 4.087 0.464 1
1 818 . 2 1 1 A 63 63 SER C C 63 177.040 176.262 0.778 1
1 819 . 2 1 1 A 63 63 SER CA C 63 61.000 61.464 -0.464 1
1 820 . 2 1 1 A 63 63 SER CB C 63 63.090 62.832 0.258 1
1 821 . 2 1 1 A 63 63 SER N N 63 111.560 113.527 -1.967 1
1 822 . 2 1 1 A 64 64 ASN H H 64 7.737 8.249 -0.512 1
1 823 . 2 1 1 A 64 64 ASN HA H 64 4.434 4.378 0.056 1
1 828 . 2 1 1 A 64 64 ASN C C 64 177.490 177.237 0.253 1
1 829 . 2 1 1 A 64 64 ASN CA C 64 55.410 56.414 -1.004 1
1 830 . 2 1 1 A 64 64 ASN CB C 64 37.930 38.662 -0.732 1
1 831 . 2 1 1 A 64 64 ASN N N 64 120.200 120.089 0.111 1
1 833 . 2 1 1 A 65 65 ALA H H 65 8.085 7.747 0.338 1
1 834 . 2 1 1 A 65 65 ALA HA H 65 4.864 3.989 0.875 1
1 838 . 2 1 1 A 65 65 ALA C C 65 178.180 179.495 -1.315 1
1 839 . 2 1 1 A 65 65 ALA CA C 65 54.700 54.977 -0.277 1
1 840 . 2 1 1 A 65 65 ALA CB C 65 19.950 17.934 2.016 1
1 841 . 2 1 1 A 65 65 ALA N N 65 125.150 121.901 3.249 1
1 842 . 2 1 1 A 66 66 LEU H H 66 8.083 8.067 0.016 1
1 843 . 2 1 1 A 66 66 LEU HA H 66 3.560 4.053 -0.493 1
1 853 . 2 1 1 A 66 66 LEU C C 66 177.650 178.357 -0.707 1
1 854 . 2 1 1 A 66 66 LEU CA C 66 59.540 58.297 1.243 1
1 855 . 2 1 1 A 66 66 LEU CB C 66 42.020 41.604 0.416 1
1 859 . 2 1 1 A 66 66 LEU N N 66 118.670 119.562 -0.892 1
1 860 . 2 1 1 A 67 67 ARG H H 67 7.620 8.478 -0.858 1
1 861 . 2 1 1 A 67 67 ARG HA H 67 3.939 3.823 0.116 1
1 868 . 2 1 1 A 67 67 ARG C C 67 178.960 178.748 0.212 1
1 869 . 2 1 1 A 67 67 ARG CA C 67 58.860 59.496 -0.636 1
1 870 . 2 1 1 A 67 67 ARG CB C 67 30.570 29.673 0.897 1
1 873 . 2 1 1 A 67 67 ARG N N 67 114.570 119.207 -4.637 1
1 874 . 2 1 1 A 68 68 THR H H 68 7.850 8.179 -0.329 1
1 875 . 2 1 1 A 68 68 THR HA H 68 4.040 3.728 0.312 1
1 880 . 2 1 1 A 68 68 THR C C 68 175.960 175.405 0.555 1
1 881 . 2 1 1 A 68 68 THR CA C 68 66.160 65.912 0.248 1
1 882 . 2 1 1 A 68 68 THR CB C 68 69.260 67.847 1.413 1
1 884 . 2 1 1 A 68 68 THR N N 68 112.630 116.140 -3.510 1
1 885 . 2 1 1 A 69 69 MET H H 69 7.934 7.791 0.143 1
1 886 . 2 1 1 A 69 69 MET HA H 69 4.734 4.256 0.478 1
1 894 . 2 1 1 A 69 69 MET C C 69 175.820 175.856 -0.036 1
1 895 . 2 1 1 A 69 69 MET CA C 69 53.560 54.770 -1.210 1
1 896 . 2 1 1 A 69 69 MET CB C 69 29.730 31.299 -1.569 1
1 899 . 2 1 1 A 69 69 MET N N 69 115.080 115.675 -0.595 1
1 900 . 2 1 1 A 70 70 GLN H H 70 7.003 7.454 -0.451 1
1 901 . 2 1 1 A 70 70 GLN HA H 70 4.043 3.922 0.121 1
1 908 . 2 1 1 A 70 70 GLN C C 70 178.020 177.327 0.693 1
1 909 . 2 1 1 A 70 70 GLN CA C 70 57.710 58.059 -0.349 1
1 910 . 2 1 1 A 70 70 GLN CB C 70 30.080 28.215 1.865 1
1 912 . 2 1 1 A 70 70 GLN N N 70 120.730 120.388 0.342 1
1 914 . 2 1 1 A 71 71 GLY H H 71 8.693 8.756 -0.063 1
1 915 . 2 1 1 A 71 71 GLY HA2 H 71 4.230 3.904 0.326 1
1 916 . 2 1 1 A 71 71 GLY HA3 H 71 3.817 3.909 -0.092 1
1 917 . 2 1 1 A 71 71 GLY C C 71 173.290 174.194 -0.904 1
1 918 . 2 1 1 A 71 71 GLY CA C 71 45.960 45.865 0.095 1
1 919 . 2 1 1 A 71 71 GLY N N 71 118.750 114.756 3.994 1
1 920 . 2 1 1 A 72 72 PHE H H 72 8.426 8.131 0.295 1
1 921 . 2 1 1 A 72 72 PHE HA H 72 4.641 4.513 0.128 1
1 926 . 2 1 1 A 72 72 PHE CA C 72 56.830 57.044 -0.214 1
1 927 . 2 1 1 A 72 72 PHE CB C 72 40.650 39.879 0.771 1
1 928 . 2 1 1 A 72 72 PHE N N 72 124.640 122.022 2.618 1
1 929 . 2 1 1 A 73 73 PRO HA H 73 4.052 4.722 -0.670 1
1 934 . 2 1 1 A 73 73 PRO C C 73 174.500 176.367 -1.867 1
1 935 . 2 1 1 A 73 73 PRO CA C 73 62.460 62.086 0.374 1
1 936 . 2 1 1 A 73 73 PRO CB C 73 30.700 28.855 1.845 1
1 939 . 2 1 1 A 74 74 PHE H H 74 8.382 8.596 -0.214 1
1 940 . 2 1 1 A 74 74 PHE HA H 74 4.235 4.318 -0.083 1
1 945 . 2 1 1 A 74 74 PHE C C 74 175.590 174.557 1.033 1
1 946 . 2 1 1 A 74 74 PHE CA C 74 56.440 61.769 -5.329 1
1 947 . 2 1 1 A 74 74 PHE CB C 74 42.540 39.782 2.758 1
1 950 . 2 1 1 A 74 74 PHE N N 74 128.220 123.534 4.686 1
1 951 . 2 1 1 A 75 75 TYR H H 75 9.185 7.896 1.289 1
1 952 . 2 1 1 A 75 75 TYR HA H 75 3.764 4.917 -1.153 1
1 957 . 2 1 1 A 75 75 TYR C C 75 175.210 175.240 -0.030 1
1 958 . 2 1 1 A 75 75 TYR CA C 75 60.780 57.054 3.726 1
1 959 . 2 1 1 A 75 75 TYR CB C 75 36.110 41.983 -5.873 1
1 962 . 2 1 1 A 75 75 TYR N N 75 128.090 115.298 12.792 1
1 963 . 2 1 1 A 76 76 ASP H H 76 8.306 9.026 -0.720 1
1 964 . 2 1 1 A 76 76 ASP HA H 76 4.075 4.707 -0.632 1
1 967 . 2 1 1 A 76 76 ASP C C 76 175.390 175.559 -0.169 1
1 968 . 2 1 1 A 76 76 ASP CA C 76 56.360 54.822 1.538 1
1 969 . 2 1 1 A 76 76 ASP CB C 76 40.510 40.744 -0.234 1
1 970 . 2 1 1 A 76 76 ASP N N 76 107.370 122.168 -14.798 1
1 971 . 2 1 1 A 77 77 LYS H H 77 7.687 7.752 -0.065 1
1 972 . 2 1 1 A 77 77 LYS HA H 77 5.020 4.776 0.244 1
1 981 . 2 1 1 A 77 77 LYS CA C 77 53.450 52.733 0.717 1
1 982 . 2 1 1 A 77 77 LYS CB C 77 34.800 34.501 0.299 1
1 986 . 2 1 1 A 77 77 LYS N N 77 118.880 119.080 -0.200 1
1 987 . 2 1 1 A 78 78 PRO HA H 78 4.240 4.575 -0.335 1
1 994 . 2 1 1 A 78 78 PRO C C 78 177.470 177.083 0.387 1
1 995 . 2 1 1 A 78 78 PRO CA C 78 62.310 62.777 -0.467 1
1 996 . 2 1 1 A 78 78 PRO CB C 78 31.690 32.188 -0.498 1
1 999 . 2 1 1 A 79 79 MET H H 79 8.696 8.550 0.146 1
1 1000 . 2 1 1 A 79 79 MET HA H 79 4.289 4.588 -0.299 1
1 1008 . 2 1 1 A 79 79 MET C C 79 175.960 176.147 -0.187 1
1 1009 . 2 1 1 A 79 79 MET CA C 79 58.600 56.572 2.028 1
1 1010 . 2 1 1 A 79 79 MET CB C 79 35.200 33.403 1.797 1
1 1013 . 2 1 1 A 79 79 MET N N 79 126.540 121.957 4.583 1
1 1014 . 2 1 1 A 80 80 GLN H H 80 7.779 8.533 -0.754 1
1 1015 . 2 1 1 A 80 80 GLN HA H 80 4.855 5.356 -0.501 1
1 1022 . 2 1 1 A 80 80 GLN C C 80 174.820 174.669 0.151 1
1 1023 . 2 1 1 A 80 80 GLN CA C 80 54.550 54.307 0.243 1
1 1024 . 2 1 1 A 80 80 GLN CB C 80 29.320 31.700 -2.380 1
1 1026 . 2 1 1 A 80 80 GLN N N 80 122.810 119.554 3.256 1
1 1028 . 2 1 1 A 81 81 ILE H H 81 9.682 8.981 0.701 1
1 1029 . 2 1 1 A 81 81 ILE HA H 81 5.010 4.990 0.020 1
1 1039 . 2 1 1 A 81 81 ILE C C 81 174.710 174.470 0.240 1
1 1040 . 2 1 1 A 81 81 ILE CA C 81 60.900 59.912 0.988 1
1 1041 . 2 1 1 A 81 81 ILE CB C 81 40.120 42.433 -2.313 1
1 1045 . 2 1 1 A 81 81 ILE N N 81 126.070 123.596 2.474 1
1 1046 . 2 1 1 A 82 82 ALA H H 82 9.039 8.215 0.824 1
1 1047 . 2 1 1 A 82 82 ALA HA H 82 4.620 4.967 -0.347 1
1 1051 . 2 1 1 A 82 82 ALA C C 82 176.700 175.812 0.888 1
1 1052 . 2 1 1 A 82 82 ALA CA C 82 50.890 51.096 -0.206 1
1 1053 . 2 1 1 A 82 82 ALA CB C 82 23.420 23.113 0.307 1
1 1054 . 2 1 1 A 82 82 ALA N N 82 130.310 125.071 5.239 1
1 1055 . 2 1 1 A 83 83 TYR H H 83 8.411 8.649 -0.238 1
1 1056 . 2 1 1 A 83 83 TYR HA H 83 4.905 4.744 0.161 1
1 1061 . 2 1 1 A 83 83 TYR C C 83 176.900 177.087 -0.187 1
1 1062 . 2 1 1 A 83 83 TYR CA C 83 59.280 57.647 1.633 1
1 1063 . 2 1 1 A 83 83 TYR CB C 83 39.350 39.666 -0.316 1
1 1065 . 2 1 1 A 83 83 TYR N N 83 118.580 119.492 -0.912 1
1 1066 . 2 1 1 A 84 84 SER H H 84 8.452 9.235 -0.783 1
1 1067 . 2 1 1 A 84 84 SER HA H 84 4.248 4.523 -0.275 1
1 1070 . 2 1 1 A 84 84 SER C C 84 174.220 176.098 -1.878 1
1 1071 . 2 1 1 A 84 84 SER CA C 84 58.560 60.849 -2.289 1
1 1072 . 2 1 1 A 84 84 SER CB C 84 64.100 63.157 0.943 1
1 1073 . 2 1 1 A 84 84 SER N N 84 115.040 116.990 -1.950 1
1 1074 . 2 1 1 A 85 85 LYS H H 85 8.443 7.890 0.553 1
1 1075 . 2 1 1 A 85 85 LYS HA H 85 4.275 4.103 0.172 1
1 1080 . 2 1 1 A 85 85 LYS C C 85 177.080 176.862 0.218 1
1 1081 . 2 1 1 A 85 85 LYS CA C 85 56.960 58.856 -1.896 1
1 1082 . 2 1 1 A 85 85 LYS CB C 85 33.150 32.729 0.421 1
1 1086 . 2 1 1 A 85 85 LYS N N 85 123.610 121.577 2.033 1
1 1087 . 2 1 1 A 86 86 SER H H 86 8.204 7.832 0.372 1
1 1088 . 2 1 1 A 86 86 SER HA H 86 4.335 4.007 0.328 1
1 1090 . 2 1 1 A 86 86 SER C C 86 174.080 172.851 1.229 1
1 1091 . 2 1 1 A 86 86 SER CA C 86 58.400 60.312 -1.912 1
1 1092 . 2 1 1 A 86 86 SER CB C 86 63.750 61.775 1.975 1
1 1093 . 2 1 1 A 86 86 SER N N 86 115.780 113.151 2.629 1
1 1094 . 2 1 1 A 87 87 ASP H H 87 8.435 8.133 0.302 1
1 1095 . 2 1 1 A 87 87 ASP HA H 87 4.578 4.845 -0.267 1
1 1098 . 2 1 1 A 87 87 ASP C C 87 176.630 175.411 1.219 1
1 1099 . 2 1 1 A 87 87 ASP CA C 87 54.260 52.685 1.575 1
1 1100 . 2 1 1 A 87 87 ASP CB C 87 40.780 43.964 -3.184 1
1 1101 . 2 1 1 A 87 87 ASP N N 87 121.910 123.832 -1.922 1
1 1102 . 2 1 1 A 88 88 SER H H 88 8.061 8.652 -0.591 1
1 1103 . 2 1 1 A 88 88 SER HA H 88 4.328 4.115 0.213 1
1 1106 . 2 1 1 A 88 88 SER C C 88 174.840 176.072 -1.232 1
1 1107 . 2 1 1 A 88 88 SER CA C 88 58.800 61.516 -2.716 1
1 1108 . 2 1 1 A 88 88 SER CB C 88 63.870 62.882 0.988 1
1 1109 . 2 1 1 A 88 88 SER N N 88 116.440 118.026 -1.586 1
1 1110 . 2 1 1 A 89 89 ASP H H 89 8.556 8.111 0.445 1
1 1111 . 2 1 1 A 89 89 ASP HA H 89 4.460 4.390 0.070 1
1 1114 . 2 1 1 A 89 89 ASP C C 89 177.450 178.287 -0.837 1
1 1115 . 2 1 1 A 89 89 ASP CA C 89 56.110 58.017 -1.907 1
1 1116 . 2 1 1 A 89 89 ASP CB C 89 40.500 41.435 -0.935 1
1 1117 . 2 1 1 A 89 89 ASP N N 89 123.080 121.254 1.826 1
1 1118 . 2 1 1 A 90 90 ILE H H 90 7.756 7.788 -0.032 1
1 1119 . 2 1 1 A 90 90 ILE HA H 90 3.829 3.800 0.029 1
1 1129 . 2 1 1 A 90 90 ILE C C 90 177.060 178.023 -0.963 1
1 1130 . 2 1 1 A 90 90 ILE CA C 90 63.070 64.578 -1.508 1
1 1131 . 2 1 1 A 90 90 ILE CB C 90 38.290 36.685 1.605 1
1 1135 . 2 1 1 A 90 90 ILE N N 90 119.250 117.853 1.397 1
1 1136 . 2 1 1 A 91 91 VAL H H 91 7.459 7.932 -0.473 1
1 1137 . 2 1 1 A 91 91 VAL HA H 91 3.613 3.496 0.117 1
1 1145 . 2 1 1 A 91 91 VAL C C 91 177.080 178.228 -1.148 1
1 1146 . 2 1 1 A 91 91 VAL CA C 91 65.250 66.486 -1.236 1
1 1147 . 2 1 1 A 91 91 VAL CB C 91 31.970 31.579 0.391 1
1 1150 . 2 1 1 A 91 91 VAL N N 91 121.040 121.515 -0.475 1
1 1151 . 2 1 1 A 92 92 ALA H H 92 8.076 8.208 -0.132 1
1 1152 . 2 1 1 A 92 92 ALA HA H 92 4.098 4.115 -0.017 1
1 1156 . 2 1 1 A 92 92 ALA C C 92 179.510 179.647 -0.137 1
1 1157 . 2 1 1 A 92 92 ALA CA C 92 54.180 55.335 -1.155 1
1 1158 . 2 1 1 A 92 92 ALA CB C 92 18.660 18.361 0.299 1
1 1159 . 2 1 1 A 92 92 ALA N N 92 122.880 121.932 0.948 1
1 1160 . 2 1 1 A 93 93 LYS H H 93 7.946 8.009 -0.063 1
1 1161 . 2 1 1 A 93 93 LYS HA H 93 4.136 3.771 0.365 1
1 1170 . 2 1 1 A 93 93 LYS C C 93 178.300 179.471 -1.171 1
1 1171 . 2 1 1 A 93 93 LYS CA C 93 58.000 59.456 -1.456 1
1 1172 . 2 1 1 A 93 93 LYS CB C 93 32.550 32.281 0.269 1
1 1176 . 2 1 1 A 93 93 LYS N N 93 118.800 117.621 1.179 1
1 1177 . 2 1 1 A 94 94 ILE H H 94 7.894 7.864 0.030 1
1 1178 . 2 1 1 A 94 94 ILE HA H 94 3.906 3.856 0.050 1
1 1188 . 2 1 1 A 94 94 ILE C C 94 177.720 177.852 -0.132 1
1 1189 . 2 1 1 A 94 94 ILE CA C 94 63.200 63.474 -0.274 1
1 1190 . 2 1 1 A 94 94 ILE CB C 94 38.330 37.129 1.201 1
1 1194 . 2 1 1 A 94 94 ILE N N 94 120.760 117.105 3.655 1
1 1195 . 2 1 1 A 95 95 LYS H H 95 8.310 7.852 0.458 1
1 1196 . 2 1 1 A 95 95 LYS HA H 95 4.083 4.252 -0.169 1
1 1205 . 2 1 1 A 95 95 LYS C C 95 177.660 176.867 0.793 1
1 1206 . 2 1 1 A 95 95 LYS CA C 95 57.930 56.158 1.772 1
1 1207 . 2 1 1 A 95 95 LYS CB C 95 32.860 32.888 -0.028 1
1 1211 . 2 1 1 A 95 95 LYS N N 95 121.330 120.468 0.862 1
1 1212 . 2 1 1 A 96 96 GLY H H 96 8.122 7.715 0.407 1
1 1213 . 2 1 1 A 96 96 GLY HA2 H 96 3.999 4.080 -0.081 1
1 1214 . 2 1 1 A 96 96 GLY HA3 H 96 3.999 4.311 -0.312 1
1 1215 . 2 1 1 A 96 96 GLY C C 96 174.640 175.393 -0.753 1
1 1216 . 2 1 1 A 96 96 GLY CA C 96 45.660 45.675 -0.015 1
1 1217 . 2 1 1 A 96 96 GLY N N 96 107.870 107.626 0.244 1
1 1218 . 2 1 1 A 97 97 THR H H 97 7.968 8.215 -0.247 1
1 1219 . 2 1 1 A 97 97 THR HA H 97 4.294 4.300 -0.006 1
1 1224 . 2 1 1 A 97 97 THR C C 97 174.590 175.778 -1.188 1
1 1225 . 2 1 1 A 97 97 THR CA C 97 62.160 64.862 -2.702 1
1 1226 . 2 1 1 A 97 97 THR CB C 97 69.630 68.731 0.899 1
1 1228 . 2 1 1 A 97 97 THR N N 97 112.820 113.869 -1.049 1
1 1229 . 2 1 1 A 98 98 PHE H H 98 7.938 8.351 -0.413 1
1 1230 . 2 1 1 A 98 98 PHE HA H 98 4.552 4.334 0.218 1
1 1235 . 2 1 1 A 98 98 PHE C C 98 175.370 176.244 -0.874 1
1 1236 . 2 1 1 A 98 98 PHE CA C 98 58.150 59.896 -1.746 1
1 1237 . 2 1 1 A 98 98 PHE CB C 98 39.550 37.693 1.857 1
1 1239 . 2 1 1 A 98 98 PHE N N 98 122.400 121.271 1.129 1
1 1240 . 2 1 1 A 99 99 LYS H H 99 7.986 7.328 0.658 1
1 1241 . 2 1 1 A 99 99 LYS HA H 99 4.242 4.369 -0.127 1
1 1250 . 2 1 1 A 99 99 LYS C C 99 175.750 176.106 -0.356 1
1 1251 . 2 1 1 A 99 99 LYS CA C 99 56.030 56.450 -0.420 1
1 1252 . 2 1 1 A 99 99 LYS CB C 99 33.390 34.232 -0.842 1
1 1256 . 2 1 1 A 99 99 LYS N N 99 123.810 113.917 9.893 1
1 1257 . 2 1 1 A 100 100 GLU H H 100 8.247 7.780 0.467 1
1 1258 . 2 1 1 A 100 100 GLU HA H 100 4.202 4.177 0.025 1
1 1263 . 2 1 1 A 100 100 GLU C C 100 176.210 175.933 0.277 1
1 1264 . 2 1 1 A 100 100 GLU CA C 100 56.270 56.401 -0.131 1
1 1265 . 2 1 1 A 100 100 GLU CB C 100 30.550 30.980 -0.430 1
1 1267 . 2 1 1 A 100 100 GLU N N 100 122.270 121.305 0.965 1
1 1268 . 2 1 1 A 101 101 ARG H H 101 8.415 8.354 0.061 1
1 1269 . 2 1 1 A 101 101 ARG HA H 101 4.590 4.746 -0.156 1
1 1276 . 2 1 1 A 101 101 ARG CA C 101 53.980 52.956 1.024 1
1 1277 . 2 1 1 A 101 101 ARG CB C 101 30.070 31.580 -1.510 1
1 1280 . 2 1 1 A 101 101 ARG N N 101 123.970 125.398 -1.428 1
1 1281 . 2 1 1 A 102 102 PRO HA H 102 4.421 4.418 0.003 1
1 1288 . 2 1 1 A 102 102 PRO C C 102 176.700 176.599 0.101 1
1 1289 . 2 1 1 A 102 102 PRO CA C 102 63.090 64.332 -1.242 1
1 1290 . 2 1 1 A 102 102 PRO CB C 102 32.160 32.270 -0.110 1
1 1293 . 2 1 1 A 103 103 LYS H H 103 8.445 7.764 0.681 1
1 1294 . 2 1 1 A 103 103 LYS HA H 103 4.294 4.740 -0.446 1
1 1303 . 2 1 1 A 103 103 LYS C C 103 175.690 175.888 -0.198 1
1 1304 . 2 1 1 A 103 103 LYS CA C 103 56.380 54.760 1.620 1
1 1305 . 2 1 1 A 103 103 LYS CB C 103 33.150 35.699 -2.549 1
1 1309 . 2 1 1 A 103 103 LYS N N 103 122.480 118.773 3.707 1
1 1 . 3 1 1 A 2 2 GLU HA H 2 4.372 4.971 -0.599 1
1 6 . 3 1 1 A 2 2 GLU C C 2 175.830 175.079 0.751 1
1 7 . 3 1 1 A 2 2 GLU CA C 2 56.340 54.544 1.796 1
1 8 . 3 1 1 A 2 2 GLU CB C 2 30.550 33.228 -2.678 1
1 10 . 3 1 1 A 3 3 MET H H 3 8.529 8.701 -0.172 1
1 11 . 3 1 1 A 3 3 MET HA H 3 4.534 4.579 -0.045 1
1 19 . 3 1 1 A 3 3 MET C C 3 175.350 175.678 -0.328 1
1 20 . 3 1 1 A 3 3 MET CA C 3 54.950 55.459 -0.509 1
1 21 . 3 1 1 A 3 3 MET CB C 3 33.150 33.417 -0.267 1
1 24 . 3 1 1 A 3 3 MET N N 3 122.340 119.177 3.163 1
1 25 . 3 1 1 A 4 4 LEU H H 4 8.265 7.896 0.369 1
1 26 . 3 1 1 A 4 4 LEU HA H 4 4.579 4.542 0.037 1
1 36 . 3 1 1 A 4 4 LEU CA C 4 52.620 50.669 1.951 1
1 37 . 3 1 1 A 4 4 LEU CB C 4 41.780 42.270 -0.490 1
1 41 . 3 1 1 A 4 4 LEU N N 4 125.280 122.219 3.061 1
1 42 . 3 1 1 A 5 5 PRO HA H 5 4.268 4.627 -0.359 1
1 49 . 3 1 1 A 5 5 PRO C C 5 175.390 175.172 0.218 1
1 50 . 3 1 1 A 5 5 PRO CA C 5 62.620 63.154 -0.534 1
1 51 . 3 1 1 A 5 5 PRO CB C 5 32.300 32.141 0.159 1
1 54 . 3 1 1 A 6 6 ASN H H 6 6.913 8.989 -2.076 1
1 55 . 3 1 1 A 6 6 ASN HA H 6 4.460 5.146 -0.686 1
1 60 . 3 1 1 A 6 6 ASN C C 6 172.390 175.253 -2.863 1
1 61 . 3 1 1 A 6 6 ASN CA C 6 52.920 52.285 0.635 1
1 62 . 3 1 1 A 6 6 ASN CB C 6 41.920 41.931 -0.011 1
1 63 . 3 1 1 A 6 6 ASN N N 6 117.610 120.454 -2.844 1
1 65 . 3 1 1 A 7 7 GLN H H 7 8.465 8.806 -0.341 1
1 66 . 3 1 1 A 7 7 GLN HA H 7 4.164 4.173 -0.009 1
1 73 . 3 1 1 A 7 7 GLN C C 7 175.020 175.804 -0.784 1
1 74 . 3 1 1 A 7 7 GLN CA C 7 58.100 57.790 0.310 1
1 75 . 3 1 1 A 7 7 GLN CB C 7 29.270 29.110 0.160 1
1 77 . 3 1 1 A 7 7 GLN N N 7 116.430 122.595 -6.165 1
1 79 . 3 1 1 A 8 8 THR H H 8 8.374 7.821 0.553 1
1 80 . 3 1 1 A 8 8 THR HA H 8 5.399 5.261 0.138 1
1 85 . 3 1 1 A 8 8 THR C C 8 173.700 174.010 -0.310 1
1 86 . 3 1 1 A 8 8 THR CA C 8 62.380 61.733 0.647 1
1 87 . 3 1 1 A 8 8 THR CB C 8 69.100 71.470 -2.370 1
1 89 . 3 1 1 A 8 8 THR N N 8 118.220 111.807 6.413 1
1 90 . 3 1 1 A 9 9 ILE H H 9 8.794 9.356 -0.562 1
1 91 . 3 1 1 A 9 9 ILE HA H 9 5.085 5.435 -0.350 1
1 101 . 3 1 1 A 9 9 ILE C C 9 173.490 173.856 -0.366 1
1 102 . 3 1 1 A 9 9 ILE CA C 9 59.000 59.318 -0.318 1
1 103 . 3 1 1 A 9 9 ILE CB C 9 39.710 42.276 -2.566 1
1 107 . 3 1 1 A 9 9 ILE N N 9 118.250 120.604 -2.354 1
1 108 . 3 1 1 A 10 10 TYR H H 10 9.384 9.233 0.151 1
1 109 . 3 1 1 A 10 10 TYR HA H 10 5.032 4.985 0.047 1
1 116 . 3 1 1 A 10 10 TYR C C 10 173.920 173.565 0.355 1
1 117 . 3 1 1 A 10 10 TYR CA C 10 55.240 55.839 -0.599 1
1 118 . 3 1 1 A 10 10 TYR CB C 10 40.700 41.774 -1.074 1
1 123 . 3 1 1 A 10 10 TYR N N 10 124.310 124.651 -0.341 1
1 124 . 3 1 1 A 11 11 ILE H H 11 9.000 9.127 -0.127 1
1 125 . 3 1 1 A 11 11 ILE HA H 11 4.629 4.500 0.129 1
1 135 . 3 1 1 A 11 11 ILE C C 11 180.280 175.220 5.060 1
1 136 . 3 1 1 A 11 11 ILE CA C 11 60.050 59.938 0.112 1
1 137 . 3 1 1 A 11 11 ILE CB C 11 40.350 39.847 0.503 1
1 141 . 3 1 1 A 11 11 ILE N N 11 126.640 127.896 -1.256 1
1 142 . 3 1 1 A 12 12 ASN H H 12 8.844 8.784 0.060 1
1 143 . 3 1 1 A 12 12 ASN HA H 12 5.267 4.779 0.488 1
1 148 . 3 1 1 A 12 12 ASN C C 12 174.640 174.870 -0.230 1
1 149 . 3 1 1 A 12 12 ASN CA C 12 50.860 52.137 -1.277 1
1 150 . 3 1 1 A 12 12 ASN CB C 12 41.400 39.579 1.821 1
1 151 . 3 1 1 A 12 12 ASN N N 12 123.520 125.572 -2.052 1
1 153 . 3 1 1 A 13 13 ASN H H 13 8.689 7.972 0.717 1
1 154 . 3 1 1 A 13 13 ASN HA H 13 4.456 4.938 -0.482 1
1 159 . 3 1 1 A 13 13 ASN C C 13 176.140 173.880 2.260 1
1 160 . 3 1 1 A 13 13 ASN CA C 13 53.920 52.013 1.907 1
1 161 . 3 1 1 A 13 13 ASN CB C 13 39.360 39.535 -0.175 1
1 162 . 3 1 1 A 13 13 ASN N N 13 115.910 118.980 -3.070 1
1 164 . 3 1 1 A 14 14 LEU H H 14 8.221 7.653 0.568 1
1 165 . 3 1 1 A 14 14 LEU HA H 14 4.350 4.338 0.012 1
1 175 . 3 1 1 A 14 14 LEU C C 14 177.880 176.461 1.419 1
1 176 . 3 1 1 A 14 14 LEU CA C 14 54.000 55.474 -1.474 1
1 177 . 3 1 1 A 14 14 LEU CB C 14 42.830 43.293 -0.463 1
1 181 . 3 1 1 A 14 14 LEU N N 14 116.310 123.842 -7.532 1
1 182 . 3 1 1 A 15 15 ASN H H 15 9.226 8.804 0.422 1
1 183 . 3 1 1 A 15 15 ASN HA H 15 4.225 4.929 -0.704 1
1 188 . 3 1 1 A 15 15 ASN C C 15 176.150 176.713 -0.563 1
1 189 . 3 1 1 A 15 15 ASN CA C 15 54.210 53.080 1.130 1
1 190 . 3 1 1 A 15 15 ASN CB C 15 38.050 39.269 -1.219 1
1 191 . 3 1 1 A 15 15 ASN N N 15 120.300 123.597 -3.297 1
1 193 . 3 1 1 A 16 16 GLU H H 16 9.234 8.826 0.408 1
1 194 . 3 1 1 A 16 16 GLU HA H 16 4.110 4.078 0.032 1
1 199 . 3 1 1 A 16 16 GLU C C 16 176.510 178.247 -1.737 1
1 200 . 3 1 1 A 16 16 GLU CA C 16 57.800 58.691 -0.891 1
1 201 . 3 1 1 A 16 16 GLU CB C 16 29.300 28.985 0.315 1
1 203 . 3 1 1 A 16 16 GLU N N 16 128.160 126.054 2.106 1
1 204 . 3 1 1 A 17 17 LYS H H 17 8.421 8.120 0.301 1
1 205 . 3 1 1 A 17 17 LYS HA H 17 4.170 4.139 0.031 1
1 214 . 3 1 1 A 17 17 LYS C C 17 176.700 177.189 -0.489 1
1 215 . 3 1 1 A 17 17 LYS CA C 17 56.750 58.779 -2.029 1
1 216 . 3 1 1 A 17 17 LYS CB C 17 32.370 31.721 0.649 1
1 220 . 3 1 1 A 17 17 LYS N N 17 118.450 118.042 0.408 1
1 221 . 3 1 1 A 18 18 ILE H H 18 6.751 7.390 -0.639 1
1 222 . 3 1 1 A 18 18 ILE HA H 18 3.830 3.943 -0.113 1
1 232 . 3 1 1 A 18 18 ILE C C 18 176.560 175.186 1.374 1
1 233 . 3 1 1 A 18 18 ILE CA C 18 58.640 61.497 -2.857 1
1 234 . 3 1 1 A 18 18 ILE CB C 18 35.940 38.145 -2.205 1
1 238 . 3 1 1 A 18 18 ILE N N 18 118.790 121.735 -2.945 1
1 239 . 3 1 1 A 19 19 LYS H H 19 8.815 8.379 0.436 1
1 240 . 3 1 1 A 19 19 LYS HA H 19 4.189 4.863 -0.674 1
1 249 . 3 1 1 A 19 19 LYS C C 19 178.340 176.556 1.784 1
1 250 . 3 1 1 A 19 19 LYS CA C 19 57.250 54.072 3.178 1
1 251 . 3 1 1 A 19 19 LYS CB C 19 32.800 35.949 -3.149 1
1 255 . 3 1 1 A 19 19 LYS N N 19 129.030 125.065 3.965 1
1 256 . 3 1 1 A 20 20 LYS H H 20 9.032 8.847 0.185 1
1 257 . 3 1 1 A 20 20 LYS HA H 20 3.854 3.921 -0.067 1
1 266 . 3 1 1 A 20 20 LYS C C 20 178.390 177.527 0.863 1
1 267 . 3 1 1 A 20 20 LYS CA C 20 59.740 60.329 -0.589 1
1 268 . 3 1 1 A 20 20 LYS CB C 20 31.390 32.020 -0.630 1
1 272 . 3 1 1 A 20 20 LYS N N 20 123.440 126.276 -2.836 1
1 273 . 3 1 1 A 21 21 GLU H H 21 9.341 7.924 1.417 1
1 274 . 3 1 1 A 21 21 GLU HA H 21 4.074 4.103 -0.029 1
1 279 . 3 1 1 A 21 21 GLU C C 21 179.120 179.358 -0.238 1
1 280 . 3 1 1 A 21 21 GLU CA C 21 60.270 59.340 0.930 1
1 281 . 3 1 1 A 21 21 GLU CB C 21 28.840 29.049 -0.209 1
1 283 . 3 1 1 A 21 21 GLU N N 21 117.890 118.159 -0.269 1
1 284 . 3 1 1 A 22 22 GLU H H 22 6.994 8.207 -1.213 1
1 285 . 3 1 1 A 22 22 GLU HA H 22 4.166 4.088 0.078 1
1 290 . 3 1 1 A 22 22 GLU C C 22 178.200 179.077 -0.877 1
1 291 . 3 1 1 A 22 22 GLU CA C 22 58.530 59.218 -0.688 1
1 292 . 3 1 1 A 22 22 GLU CB C 22 29.180 29.587 -0.407 1
1 294 . 3 1 1 A 22 22 GLU N N 22 119.810 120.552 -0.742 1
1 295 . 3 1 1 A 23 23 LEU H H 23 8.462 8.523 -0.061 1
1 296 . 3 1 1 A 23 23 LEU HA H 23 3.981 4.180 -0.199 1
1 306 . 3 1 1 A 23 23 LEU C C 23 178.780 178.436 0.344 1
1 307 . 3 1 1 A 23 23 LEU CA C 23 58.840 58.312 0.528 1
1 308 . 3 1 1 A 23 23 LEU CB C 23 42.420 42.014 0.406 1
1 312 . 3 1 1 A 23 23 LEU N N 23 121.220 122.003 -0.783 1
1 313 . 3 1 1 A 24 24 LYS H H 24 8.411 8.466 -0.055 1
1 314 . 3 1 1 A 24 24 LYS HA H 24 3.808 4.065 -0.257 1
1 323 . 3 1 1 A 24 24 LYS C C 24 178.200 178.920 -0.720 1
1 324 . 3 1 1 A 24 24 LYS CA C 24 61.500 59.786 1.714 1
1 325 . 3 1 1 A 24 24 LYS CB C 24 32.500 32.486 0.014 1
1 329 . 3 1 1 A 24 24 LYS N N 24 116.620 118.962 -2.342 1
1 330 . 3 1 1 A 25 25 LYS H H 25 7.592 8.175 -0.583 1
1 331 . 3 1 1 A 25 25 LYS HA H 25 4.181 4.148 0.033 1
1 340 . 3 1 1 A 25 25 LYS C C 25 180.280 179.033 1.247 1
1 341 . 3 1 1 A 25 25 LYS CA C 25 60.140 59.610 0.530 1
1 342 . 3 1 1 A 25 25 LYS CB C 25 32.690 32.414 0.276 1
1 346 . 3 1 1 A 25 25 LYS N N 25 118.830 120.016 -1.186 1
1 347 . 3 1 1 A 26 26 SER H H 26 8.845 8.496 0.349 1
1 348 . 3 1 1 A 26 26 SER HA H 26 4.570 4.270 0.300 1
1 351 . 3 1 1 A 26 26 SER C C 26 176.880 176.479 0.401 1
1 352 . 3 1 1 A 26 26 SER CA C 26 62.210 62.717 -0.507 1
1 353 . 3 1 1 A 26 26 SER CB C 26 63.320 63.181 0.139 1
1 354 . 3 1 1 A 26 26 SER N N 26 117.880 117.365 0.515 1
1 355 . 3 1 1 A 27 27 LEU H H 27 9.040 8.545 0.495 1
1 356 . 3 1 1 A 27 27 LEU HA H 27 4.190 4.148 0.042 1
1 366 . 3 1 1 A 27 27 LEU C C 27 179.100 178.891 0.209 1
1 367 . 3 1 1 A 27 27 LEU CA C 27 57.960 57.824 0.136 1
1 368 . 3 1 1 A 27 27 LEU CB C 27 43.030 41.902 1.128 1
1 372 . 3 1 1 A 27 27 LEU N N 27 122.840 121.303 1.537 1
1 373 . 3 1 1 A 28 28 TYR H H 28 8.535 8.461 0.074 1
1 374 . 3 1 1 A 28 28 TYR HA H 28 3.826 4.345 -0.519 1
1 379 . 3 1 1 A 28 28 TYR C C 28 178.360 178.215 0.145 1
1 380 . 3 1 1 A 28 28 TYR CA C 28 63.220 61.318 1.902 1
1 381 . 3 1 1 A 28 28 TYR CB C 28 38.320 37.419 0.901 1
1 384 . 3 1 1 A 28 28 TYR N N 28 121.030 118.034 2.996 1
1 385 . 3 1 1 A 29 29 ALA H H 29 8.009 8.240 -0.231 1
1 386 . 3 1 1 A 29 29 ALA HA H 29 3.364 4.212 -0.848 1
1 390 . 3 1 1 A 29 29 ALA CA C 29 55.420 54.849 0.571 1
1 391 . 3 1 1 A 29 29 ALA CB C 29 18.920 18.847 0.073 1
1 392 . 3 1 1 A 29 29 ALA N N 29 120.570 122.119 -1.549 1
1 393 . 3 1 1 A 30 30 ILE HA H 30 4.048 4.407 -0.359 1
1 403 . 3 1 1 A 30 30 ILE C C 30 177.270 177.794 -0.524 1
1 404 . 3 1 1 A 30 30 ILE CA C 30 63.380 61.918 1.462 1
1 405 . 3 1 1 A 30 30 ILE CB C 30 38.850 39.750 -0.900 1
1 409 . 3 1 1 A 31 31 PHE H H 31 8.446 8.542 -0.096 1
1 410 . 3 1 1 A 31 31 PHE HA H 31 4.900 4.514 0.386 1
1 415 . 3 1 1 A 31 31 PHE C C 31 177.820 178.157 -0.337 1
1 416 . 3 1 1 A 31 31 PHE CA C 31 62.380 60.317 2.063 1
1 417 . 3 1 1 A 31 31 PHE CB C 31 38.900 37.931 0.969 1
1 418 . 3 1 1 A 31 31 PHE N N 31 115.770 121.749 -5.979 1
1 419 . 3 1 1 A 32 32 SER H H 32 8.392 8.246 0.146 1
1 420 . 3 1 1 A 32 32 SER HA H 32 4.365 4.415 -0.050 1
1 423 . 3 1 1 A 32 32 SER C C 32 176.140 176.063 0.077 1
1 424 . 3 1 1 A 32 32 SER CA C 32 61.680 62.183 -0.503 1
1 425 . 3 1 1 A 32 32 SER CB C 32 62.460 63.051 -0.591 1
1 426 . 3 1 1 A 32 32 SER N N 32 116.890 115.808 1.082 1
1 427 . 3 1 1 A 33 33 GLN H H 33 7.310 7.863 -0.553 1
1 428 . 3 1 1 A 33 33 GLN HA H 33 4.059 4.032 0.027 1
1 435 . 3 1 1 A 33 33 GLN C C 33 176.330 176.505 -0.175 1
1 436 . 3 1 1 A 33 33 GLN CA C 33 57.220 56.676 0.544 1
1 437 . 3 1 1 A 33 33 GLN CB C 33 28.040 27.923 0.117 1
1 439 . 3 1 1 A 33 33 GLN N N 33 117.530 118.781 -1.251 1
1 441 . 3 1 1 A 34 34 PHE H H 34 7.626 7.816 -0.190 1
1 442 . 3 1 1 A 34 34 PHE HA H 34 4.435 4.615 -0.180 1
1 447 . 3 1 1 A 34 34 PHE C C 34 175.590 175.752 -0.162 1
1 448 . 3 1 1 A 34 34 PHE CA C 34 59.410 58.265 1.145 1
1 449 . 3 1 1 A 34 34 PHE CB C 34 39.380 40.402 -1.022 1
1 452 . 3 1 1 A 34 34 PHE N N 34 116.090 116.993 -0.903 1
1 453 . 3 1 1 A 35 35 GLY H H 35 7.595 7.532 0.063 1
1 454 . 3 1 1 A 35 35 GLY HA2 H 35 3.960 3.996 -0.036 1
1 455 . 3 1 1 A 35 35 GLY HA3 H 35 4.612 4.069 0.543 1
1 456 . 3 1 1 A 35 35 GLY C C 35 170.890 174.504 -3.614 1
1 457 . 3 1 1 A 35 35 GLY CA C 35 44.160 45.496 -1.336 1
1 458 . 3 1 1 A 35 35 GLY N N 35 107.470 105.768 1.702 1
1 459 . 3 1 1 A 36 36 GLN H H 36 8.404 8.533 -0.129 1
1 460 . 3 1 1 A 36 36 GLN HA H 36 4.275 4.181 0.094 1
1 467 . 3 1 1 A 36 36 GLN C C 36 176.650 175.149 1.501 1
1 468 . 3 1 1 A 36 36 GLN CA C 36 57.180 56.514 0.666 1
1 469 . 3 1 1 A 36 36 GLN CB C 36 29.360 27.507 1.853 1
1 471 . 3 1 1 A 36 36 GLN N N 36 116.620 118.411 -1.791 1
1 473 . 3 1 1 A 37 37 ILE H H 37 9.009 8.219 0.790 1
1 474 . 3 1 1 A 37 37 ILE HA H 37 4.068 3.634 0.434 1
1 484 . 3 1 1 A 37 37 ILE C C 37 176.530 175.799 0.731 1
1 485 . 3 1 1 A 37 37 ILE CA C 37 61.270 62.060 -0.790 1
1 486 . 3 1 1 A 37 37 ILE CB C 37 40.600 37.703 2.897 1
1 490 . 3 1 1 A 37 37 ILE N N 37 129.370 127.782 1.588 1
1 491 . 3 1 1 A 38 38 LEU H H 38 9.472 9.315 0.157 1
1 492 . 3 1 1 A 38 38 LEU HA H 38 4.291 4.550 -0.259 1
1 502 . 3 1 1 A 38 38 LEU C C 38 176.900 175.339 1.561 1
1 503 . 3 1 1 A 38 38 LEU CA C 38 56.520 55.870 0.650 1
1 504 . 3 1 1 A 38 38 LEU CB C 38 42.030 45.033 -3.003 1
1 508 . 3 1 1 A 38 38 LEU N N 38 128.180 127.511 0.669 1
1 509 . 3 1 1 A 39 39 ASP H H 39 7.493 7.641 -0.148 1
1 510 . 3 1 1 A 39 39 ASP HA H 39 4.715 4.978 -0.263 1
1 513 . 3 1 1 A 39 39 ASP C C 39 173.560 173.652 -0.092 1
1 514 . 3 1 1 A 39 39 ASP CA C 39 53.510 53.451 0.059 1
1 515 . 3 1 1 A 39 39 ASP CB C 39 44.160 43.898 0.262 1
1 516 . 3 1 1 A 39 39 ASP N N 39 114.640 117.261 -2.621 1
1 517 . 3 1 1 A 40 40 ILE H H 40 8.537 8.523 0.014 1
1 518 . 3 1 1 A 40 40 ILE HA H 40 4.722 4.800 -0.078 1
1 528 . 3 1 1 A 40 40 ILE C C 40 174.090 174.942 -0.852 1
1 529 . 3 1 1 A 40 40 ILE CA C 40 61.060 59.802 1.258 1
1 530 . 3 1 1 A 40 40 ILE CB C 40 41.220 42.333 -1.113 1
1 534 . 3 1 1 A 40 40 ILE N N 40 119.670 122.091 -2.421 1
1 535 . 3 1 1 A 41 41 VAL H H 41 8.807 8.873 -0.066 1
1 536 . 3 1 1 A 41 41 VAL HA H 41 4.195 4.747 -0.552 1
1 544 . 3 1 1 A 41 41 VAL C C 41 174.470 174.526 -0.056 1
1 545 . 3 1 1 A 41 41 VAL CA C 41 61.020 61.741 -0.721 1
1 546 . 3 1 1 A 41 41 VAL CB C 41 34.160 33.783 0.377 1
1 549 . 3 1 1 A 41 41 VAL N N 41 127.000 126.296 0.704 1
1 550 . 3 1 1 A 42 42 ALA H H 42 8.708 8.965 -0.257 1
1 551 . 3 1 1 A 42 42 ALA HA H 42 4.796 5.074 -0.278 1
1 555 . 3 1 1 A 42 42 ALA C C 42 175.210 175.463 -0.253 1
1 556 . 3 1 1 A 42 42 ALA CA C 42 51.430 51.307 0.123 1
1 557 . 3 1 1 A 42 42 ALA CB C 42 19.780 24.308 -4.528 1
1 558 . 3 1 1 A 42 42 ALA N N 42 130.100 128.430 1.670 1
1 559 . 3 1 1 A 43 43 LEU H H 43 8.224 8.887 -0.663 1
1 560 . 3 1 1 A 43 43 LEU HA H 43 4.575 4.964 -0.389 1
1 570 . 3 1 1 A 43 43 LEU CA C 43 54.620 53.587 1.033 1
1 571 . 3 1 1 A 43 43 LEU CB C 43 43.640 46.274 -2.634 1
1 575 . 3 1 1 A 43 43 LEU N N 43 122.270 119.451 2.819 1
1 576 . 3 1 1 A 44 44 LYS HA H 44 4.570 4.271 0.299 1
1 585 . 3 1 1 A 44 44 LYS CA C 44 56.000 57.555 -1.555 1
1 586 . 3 1 1 A 44 44 LYS CB C 44 32.940 32.558 0.382 1
1 590 . 3 1 1 A 45 45 THR H H 45 7.706 7.547 0.159 1
1 591 . 3 1 1 A 45 45 THR HA H 45 4.494 4.229 0.265 1
1 596 . 3 1 1 A 45 45 THR CA C 45 60.500 61.632 -1.132 1
1 597 . 3 1 1 A 45 45 THR CB C 45 70.450 70.024 0.426 1
1 599 . 3 1 1 A 45 45 THR N N 45 113.650 111.973 1.677 1
1 600 . 3 1 1 A 46 46 LEU HA H 46 4.142 4.088 0.054 1
1 610 . 3 1 1 A 46 46 LEU C C 46 179.030 178.510 0.520 1
1 611 . 3 1 1 A 46 46 LEU CA C 46 57.630 58.642 -1.012 1
1 612 . 3 1 1 A 46 46 LEU CB C 46 42.020 41.071 0.949 1
1 616 . 3 1 1 A 47 47 LYS H H 47 8.325 8.939 -0.614 1
1 617 . 3 1 1 A 47 47 LYS HA H 47 4.139 4.189 -0.050 1
1 626 . 3 1 1 A 47 47 LYS C C 47 176.700 176.972 -0.272 1
1 627 . 3 1 1 A 47 47 LYS CA C 47 57.800 58.324 -0.524 1
1 628 . 3 1 1 A 47 47 LYS CB C 47 32.440 31.335 1.105 1
1 632 . 3 1 1 A 47 47 LYS N N 47 116.870 116.689 0.181 1
1 633 . 3 1 1 A 48 48 MET H H 48 7.649 7.923 -0.274 1
1 634 . 3 1 1 A 48 48 MET HA H 48 4.581 4.914 -0.333 1
1 642 . 3 1 1 A 48 48 MET C C 48 175.550 176.287 -0.737 1
1 643 . 3 1 1 A 48 48 MET CA C 48 54.970 55.264 -0.294 1
1 644 . 3 1 1 A 48 48 MET CB C 48 32.770 33.929 -1.159 1
1 647 . 3 1 1 A 48 48 MET N N 48 116.090 118.045 -1.955 1
1 648 . 3 1 1 A 49 49 ARG H H 49 7.653 8.024 -0.371 1
1 649 . 3 1 1 A 49 49 ARG HA H 49 4.377 4.530 -0.153 1
1 656 . 3 1 1 A 49 49 ARG C C 49 177.450 178.404 -0.954 1
1 657 . 3 1 1 A 49 49 ARG CA C 49 57.250 56.260 0.990 1
1 658 . 3 1 1 A 49 49 ARG CB C 49 30.400 32.189 -1.789 1
1 661 . 3 1 1 A 49 49 ARG N N 49 119.580 118.830 0.750 1
1 662 . 3 1 1 A 50 50 GLY H H 50 9.177 8.088 1.089 1
1 663 . 3 1 1 A 50 50 GLY HA2 H 50 3.960 3.984 -0.024 1
1 664 . 3 1 1 A 50 50 GLY HA3 H 50 4.107 3.993 0.114 1
1 665 . 3 1 1 A 50 50 GLY C C 50 172.960 173.990 -1.030 1
1 666 . 3 1 1 A 50 50 GLY CA C 50 46.140 45.556 0.584 1
1 667 . 3 1 1 A 50 50 GLY N N 50 111.640 107.792 3.848 1
1 668 . 3 1 1 A 51 51 GLN H H 51 7.853 7.724 0.129 1
1 669 . 3 1 1 A 51 51 GLN HA H 51 5.516 4.848 0.668 1
1 675 . 3 1 1 A 51 51 GLN C C 51 174.800 173.898 0.902 1
1 676 . 3 1 1 A 51 51 GLN CA C 51 54.160 54.118 0.042 1
1 677 . 3 1 1 A 51 51 GLN CB C 51 34.330 32.115 2.215 1
1 679 . 3 1 1 A 51 51 GLN N N 51 117.000 116.029 0.971 1
1 681 . 3 1 1 A 52 52 ALA H H 52 8.765 8.311 0.454 1
1 682 . 3 1 1 A 52 52 ALA HA H 52 5.098 4.859 0.239 1
1 686 . 3 1 1 A 52 52 ALA C C 52 174.820 175.147 -0.327 1
1 687 . 3 1 1 A 52 52 ALA CA C 52 51.170 51.466 -0.296 1
1 688 . 3 1 1 A 52 52 ALA CB C 52 23.350 23.702 -0.352 1
1 689 . 3 1 1 A 52 52 ALA N N 52 121.050 120.931 0.119 1
1 690 . 3 1 1 A 53 53 PHE H H 53 8.840 8.848 -0.008 1
1 691 . 3 1 1 A 53 53 PHE HA H 53 5.615 5.606 0.009 1
1 696 . 3 1 1 A 53 53 PHE C C 53 174.870 174.555 0.315 1
1 697 . 3 1 1 A 53 53 PHE CA C 53 55.770 56.512 -0.742 1
1 698 . 3 1 1 A 53 53 PHE CB C 53 41.530 44.005 -2.475 1
1 701 . 3 1 1 A 53 53 PHE N N 53 115.860 116.108 -0.248 1
1 702 . 3 1 1 A 54 54 VAL H H 54 8.766 8.672 0.094 1
1 703 . 3 1 1 A 54 54 VAL HA H 54 4.169 4.621 -0.452 1
1 711 . 3 1 1 A 54 54 VAL C C 54 173.330 173.127 0.203 1
1 712 . 3 1 1 A 54 54 VAL CA C 54 61.920 60.091 1.829 1
1 713 . 3 1 1 A 54 54 VAL CB C 54 32.860 35.325 -2.465 1
1 716 . 3 1 1 A 54 54 VAL N N 54 121.920 118.864 3.056 1
1 717 . 3 1 1 A 55 55 ILE H H 55 8.319 8.939 -0.620 1
1 718 . 3 1 1 A 55 55 ILE HA H 55 4.512 5.391 -0.879 1
1 728 . 3 1 1 A 55 55 ILE C C 55 173.920 174.695 -0.775 1
1 729 . 3 1 1 A 55 55 ILE CA C 55 60.880 59.892 0.988 1
1 730 . 3 1 1 A 55 55 ILE CB C 55 39.130 40.602 -1.472 1
1 734 . 3 1 1 A 55 55 ILE N N 55 126.350 126.978 -0.628 1
1 735 . 3 1 1 A 56 56 PHE H H 56 9.009 8.927 0.082 1
1 736 . 3 1 1 A 56 56 PHE HA H 56 4.889 4.870 0.019 1
1 741 . 3 1 1 A 56 56 PHE C C 56 175.180 176.212 -1.032 1
1 742 . 3 1 1 A 56 56 PHE CA C 56 59.030 56.981 2.049 1
1 743 . 3 1 1 A 56 56 PHE CB C 56 40.320 43.162 -2.842 1
1 744 . 3 1 1 A 56 56 PHE N N 56 126.440 125.056 1.384 1
1 745 . 3 1 1 A 57 57 LYS H H 57 8.191 8.823 -0.632 1
1 746 . 3 1 1 A 57 57 LYS HA H 57 3.969 4.181 -0.212 1
1 755 . 3 1 1 A 57 57 LYS C C 57 176.140 176.942 -0.802 1
1 756 . 3 1 1 A 57 57 LYS CA C 57 59.290 58.442 0.848 1
1 757 . 3 1 1 A 57 57 LYS CB C 57 33.850 32.876 0.974 1
1 761 . 3 1 1 A 57 57 LYS N N 57 119.130 121.036 -1.906 1
1 762 . 3 1 1 A 58 58 GLU H H 58 8.614 7.935 0.679 1
1 763 . 3 1 1 A 58 58 GLU HA H 58 4.850 4.698 0.152 1
1 768 . 3 1 1 A 58 58 GLU C C 58 177.130 176.187 0.943 1
1 769 . 3 1 1 A 58 58 GLU CA C 58 54.130 55.359 -1.229 1
1 770 . 3 1 1 A 58 58 GLU CB C 58 32.230 33.752 -1.522 1
1 772 . 3 1 1 A 58 58 GLU N N 58 114.350 117.313 -2.963 1
1 773 . 3 1 1 A 59 59 ILE H H 59 8.825 8.708 0.117 1
1 774 . 3 1 1 A 59 59 ILE HA H 59 3.499 3.827 -0.328 1
1 784 . 3 1 1 A 59 59 ILE C C 59 177.650 178.179 -0.529 1
1 785 . 3 1 1 A 59 59 ILE CA C 59 65.660 64.302 1.358 1
1 786 . 3 1 1 A 59 59 ILE CB C 59 38.040 37.745 0.295 1
1 790 . 3 1 1 A 59 59 ILE N N 59 122.940 123.300 -0.360 1
1 791 . 3 1 1 A 60 60 GLY H H 60 8.875 8.468 0.407 1
1 792 . 3 1 1 A 60 60 GLY HA2 H 60 3.780 3.803 -0.023 1
1 793 . 3 1 1 A 60 60 GLY HA3 H 60 3.925 3.816 0.109 1
1 794 . 3 1 1 A 60 60 GLY C C 60 176.700 176.441 0.259 1
1 795 . 3 1 1 A 60 60 GLY CA C 60 47.070 47.526 -0.456 1
1 796 . 3 1 1 A 60 60 GLY N N 60 106.980 110.896 -3.916 1
1 797 . 3 1 1 A 61 61 SER H H 61 6.973 7.948 -0.975 1
1 798 . 3 1 1 A 61 61 SER HA H 61 4.141 4.289 -0.148 1
1 801 . 3 1 1 A 61 61 SER C C 61 174.060 176.267 -2.207 1
1 802 . 3 1 1 A 61 61 SER CA C 61 61.870 62.585 -0.715 1
1 803 . 3 1 1 A 61 61 SER CB C 61 63.150 62.845 0.305 1
1 804 . 3 1 1 A 61 61 SER N N 61 116.200 119.341 -3.141 1
1 805 . 3 1 1 A 62 62 ALA H H 62 6.786 8.428 -1.642 1
1 806 . 3 1 1 A 62 62 ALA HA H 62 3.370 3.108 0.262 1
1 810 . 3 1 1 A 62 62 ALA C C 62 178.960 179.025 -0.065 1
1 811 . 3 1 1 A 62 62 ALA CA C 62 55.370 54.912 0.458 1
1 812 . 3 1 1 A 62 62 ALA CB C 62 19.030 18.517 0.513 1
1 813 . 3 1 1 A 62 62 ALA N N 62 123.660 123.805 -0.145 1
1 814 . 3 1 1 A 63 63 SER H H 63 8.379 8.034 0.345 1
1 815 . 3 1 1 A 63 63 SER HA H 63 4.551 4.111 0.440 1
1 818 . 3 1 1 A 63 63 SER C C 63 177.040 176.202 0.838 1
1 819 . 3 1 1 A 63 63 SER CA C 63 61.000 61.603 -0.603 1
1 820 . 3 1 1 A 63 63 SER CB C 63 63.090 62.782 0.308 1
1 821 . 3 1 1 A 63 63 SER N N 63 111.560 112.801 -1.241 1
1 822 . 3 1 1 A 64 64 ASN H H 64 7.737 8.341 -0.604 1
1 823 . 3 1 1 A 64 64 ASN HA H 64 4.434 4.362 0.072 1
1 828 . 3 1 1 A 64 64 ASN C C 64 177.490 177.270 0.220 1
1 829 . 3 1 1 A 64 64 ASN CA C 64 55.410 56.418 -1.008 1
1 830 . 3 1 1 A 64 64 ASN CB C 64 37.930 38.609 -0.679 1
1 831 . 3 1 1 A 64 64 ASN N N 64 120.200 120.368 -0.168 1
1 833 . 3 1 1 A 65 65 ALA H H 65 8.085 7.719 0.366 1
1 834 . 3 1 1 A 65 65 ALA HA H 65 4.864 3.993 0.871 1
1 838 . 3 1 1 A 65 65 ALA C C 65 178.180 179.584 -1.404 1
1 839 . 3 1 1 A 65 65 ALA CA C 65 54.700 54.986 -0.286 1
1 840 . 3 1 1 A 65 65 ALA CB C 65 19.950 17.987 1.963 1
1 841 . 3 1 1 A 65 65 ALA N N 65 125.150 121.908 3.242 1
1 842 . 3 1 1 A 66 66 LEU H H 66 8.083 8.102 -0.019 1
1 843 . 3 1 1 A 66 66 LEU HA H 66 3.560 4.079 -0.519 1
1 853 . 3 1 1 A 66 66 LEU C C 66 177.650 178.386 -0.736 1
1 854 . 3 1 1 A 66 66 LEU CA C 66 59.540 58.311 1.229 1
1 855 . 3 1 1 A 66 66 LEU CB C 66 42.020 41.534 0.486 1
1 859 . 3 1 1 A 66 66 LEU N N 66 118.670 119.536 -0.866 1
1 860 . 3 1 1 A 67 67 ARG H H 67 7.620 8.395 -0.775 1
1 861 . 3 1 1 A 67 67 ARG HA H 67 3.939 3.819 0.120 1
1 868 . 3 1 1 A 67 67 ARG C C 67 178.960 178.800 0.160 1
1 869 . 3 1 1 A 67 67 ARG CA C 67 58.860 59.458 -0.598 1
1 870 . 3 1 1 A 67 67 ARG CB C 67 30.570 29.675 0.895 1
1 873 . 3 1 1 A 67 67 ARG N N 67 114.570 119.321 -4.751 1
1 874 . 3 1 1 A 68 68 THR H H 68 7.850 8.246 -0.396 1
1 875 . 3 1 1 A 68 68 THR HA H 68 4.040 3.766 0.274 1
1 880 . 3 1 1 A 68 68 THR C C 68 175.960 175.563 0.397 1
1 881 . 3 1 1 A 68 68 THR CA C 68 66.160 66.231 -0.071 1
1 882 . 3 1 1 A 68 68 THR CB C 68 69.260 68.022 1.238 1
1 884 . 3 1 1 A 68 68 THR N N 68 112.630 115.684 -3.054 1
1 885 . 3 1 1 A 69 69 MET H H 69 7.934 7.862 0.072 1
1 886 . 3 1 1 A 69 69 MET HA H 69 4.734 4.245 0.489 1
1 894 . 3 1 1 A 69 69 MET C C 69 175.820 175.872 -0.052 1
1 895 . 3 1 1 A 69 69 MET CA C 69 53.560 54.790 -1.230 1
1 896 . 3 1 1 A 69 69 MET CB C 69 29.730 31.691 -1.961 1
1 899 . 3 1 1 A 69 69 MET N N 69 115.080 115.952 -0.872 1
1 900 . 3 1 1 A 70 70 GLN H H 70 7.003 7.463 -0.460 1
1 901 . 3 1 1 A 70 70 GLN HA H 70 4.043 3.925 0.118 1
1 908 . 3 1 1 A 70 70 GLN C C 70 178.020 177.311 0.709 1
1 909 . 3 1 1 A 70 70 GLN CA C 70 57.710 58.034 -0.324 1
1 910 . 3 1 1 A 70 70 GLN CB C 70 30.080 28.231 1.849 1
1 912 . 3 1 1 A 70 70 GLN N N 70 120.730 120.278 0.452 1
1 914 . 3 1 1 A 71 71 GLY H H 71 8.693 8.787 -0.094 1
1 915 . 3 1 1 A 71 71 GLY HA2 H 71 4.230 3.898 0.332 1
1 916 . 3 1 1 A 71 71 GLY HA3 H 71 3.817 3.905 -0.088 1
1 917 . 3 1 1 A 71 71 GLY C C 71 173.290 174.226 -0.936 1
1 918 . 3 1 1 A 71 71 GLY CA C 71 45.960 45.835 0.125 1
1 919 . 3 1 1 A 71 71 GLY N N 71 118.750 114.770 3.980 1
1 920 . 3 1 1 A 72 72 PHE H H 72 8.426 8.180 0.246 1
1 921 . 3 1 1 A 72 72 PHE HA H 72 4.641 4.479 0.162 1
1 926 . 3 1 1 A 72 72 PHE CA C 72 56.830 57.015 -0.185 1
1 927 . 3 1 1 A 72 72 PHE CB C 72 40.650 39.808 0.842 1
1 928 . 3 1 1 A 72 72 PHE N N 72 124.640 122.060 2.580 1
1 929 . 3 1 1 A 73 73 PRO HA H 73 4.052 4.898 -0.846 1
1 934 . 3 1 1 A 73 73 PRO C C 73 174.500 176.312 -1.812 1
1 935 . 3 1 1 A 73 73 PRO CA C 73 62.460 62.083 0.377 1
1 936 . 3 1 1 A 73 73 PRO CB C 73 30.700 29.022 1.678 1
1 939 . 3 1 1 A 74 74 PHE H H 74 8.382 8.590 -0.208 1
1 940 . 3 1 1 A 74 74 PHE HA H 74 4.235 4.383 -0.148 1
1 945 . 3 1 1 A 74 74 PHE C C 74 175.590 175.611 -0.021 1
1 946 . 3 1 1 A 74 74 PHE CA C 74 56.440 61.785 -5.345 1
1 947 . 3 1 1 A 74 74 PHE CB C 74 42.540 40.036 2.504 1
1 950 . 3 1 1 A 74 74 PHE N N 74 128.220 123.766 4.454 1
1 951 . 3 1 1 A 75 75 TYR H H 75 9.185 7.885 1.300 1
1 952 . 3 1 1 A 75 75 TYR HA H 75 3.764 5.015 -1.251 1
1 957 . 3 1 1 A 75 75 TYR C C 75 175.210 174.993 0.217 1
1 958 . 3 1 1 A 75 75 TYR CA C 75 60.780 55.842 4.938 1
1 959 . 3 1 1 A 75 75 TYR CB C 75 36.110 38.716 -2.606 1
1 962 . 3 1 1 A 75 75 TYR N N 75 128.090 115.161 12.929 1
1 963 . 3 1 1 A 76 76 ASP H H 76 8.306 8.463 -0.157 1
1 964 . 3 1 1 A 76 76 ASP HA H 76 4.075 4.378 -0.303 1
1 967 . 3 1 1 A 76 76 ASP C C 76 175.390 175.259 0.131 1
1 968 . 3 1 1 A 76 76 ASP CA C 76 56.360 55.889 0.471 1
1 969 . 3 1 1 A 76 76 ASP CB C 76 40.510 40.475 0.035 1
1 970 . 3 1 1 A 76 76 ASP N N 76 107.370 119.423 -12.053 1
1 971 . 3 1 1 A 77 77 LYS H H 77 7.687 8.035 -0.348 1
1 972 . 3 1 1 A 77 77 LYS HA H 77 5.020 4.481 0.539 1
1 981 . 3 1 1 A 77 77 LYS CA C 77 53.450 54.647 -1.197 1
1 982 . 3 1 1 A 77 77 LYS CB C 77 34.800 32.799 2.001 1
1 986 . 3 1 1 A 77 77 LYS N N 77 118.880 121.068 -2.188 1
1 987 . 3 1 1 A 78 78 PRO HA H 78 4.240 4.549 -0.309 1
1 994 . 3 1 1 A 78 78 PRO C C 78 177.470 177.217 0.253 1
1 995 . 3 1 1 A 78 78 PRO CA C 78 62.310 63.022 -0.712 1
1 996 . 3 1 1 A 78 78 PRO CB C 78 31.690 31.907 -0.217 1
1 999 . 3 1 1 A 79 79 MET H H 79 8.696 8.598 0.098 1
1 1000 . 3 1 1 A 79 79 MET HA H 79 4.289 4.587 -0.298 1
1 1008 . 3 1 1 A 79 79 MET C C 79 175.960 175.995 -0.035 1
1 1009 . 3 1 1 A 79 79 MET CA C 79 58.600 56.593 2.007 1
1 1010 . 3 1 1 A 79 79 MET CB C 79 35.200 33.369 1.831 1
1 1013 . 3 1 1 A 79 79 MET N N 79 126.540 122.217 4.323 1
1 1014 . 3 1 1 A 80 80 GLN H H 80 7.779 8.536 -0.757 1
1 1015 . 3 1 1 A 80 80 GLN HA H 80 4.855 5.375 -0.520 1
1 1022 . 3 1 1 A 80 80 GLN C C 80 174.820 174.575 0.245 1
1 1023 . 3 1 1 A 80 80 GLN CA C 80 54.550 54.295 0.255 1
1 1024 . 3 1 1 A 80 80 GLN CB C 80 29.320 31.695 -2.375 1
1 1026 . 3 1 1 A 80 80 GLN N N 80 122.810 119.333 3.477 1
1 1028 . 3 1 1 A 81 81 ILE H H 81 9.682 9.037 0.645 1
1 1029 . 3 1 1 A 81 81 ILE HA H 81 5.010 4.942 0.068 1
1 1039 . 3 1 1 A 81 81 ILE C C 81 174.710 174.360 0.350 1
1 1040 . 3 1 1 A 81 81 ILE CA C 81 60.900 59.983 0.917 1
1 1041 . 3 1 1 A 81 81 ILE CB C 81 40.120 42.278 -2.158 1
1 1045 . 3 1 1 A 81 81 ILE N N 81 126.070 123.612 2.458 1
1 1046 . 3 1 1 A 82 82 ALA H H 82 9.039 8.521 0.518 1
1 1047 . 3 1 1 A 82 82 ALA HA H 82 4.620 5.186 -0.566 1
1 1051 . 3 1 1 A 82 82 ALA C C 82 176.700 175.798 0.902 1
1 1052 . 3 1 1 A 82 82 ALA CA C 82 50.890 50.730 0.160 1
1 1053 . 3 1 1 A 82 82 ALA CB C 82 23.420 23.786 -0.366 1
1 1054 . 3 1 1 A 82 82 ALA N N 82 130.310 125.456 4.854 1
1 1055 . 3 1 1 A 83 83 TYR H H 83 8.411 8.706 -0.295 1
1 1056 . 3 1 1 A 83 83 TYR HA H 83 4.905 4.988 -0.083 1
1 1061 . 3 1 1 A 83 83 TYR C C 83 176.900 174.830 2.070 1
1 1062 . 3 1 1 A 83 83 TYR CA C 83 59.280 56.819 2.461 1
1 1063 . 3 1 1 A 83 83 TYR CB C 83 39.350 40.467 -1.117 1
1 1065 . 3 1 1 A 83 83 TYR N N 83 118.580 119.188 -0.608 1
1 1066 . 3 1 1 A 84 84 SER H H 84 8.452 8.689 -0.237 1
1 1067 . 3 1 1 A 84 84 SER HA H 84 4.248 4.986 -0.738 1
1 1070 . 3 1 1 A 84 84 SER C C 84 174.220 173.533 0.687 1
1 1071 . 3 1 1 A 84 84 SER CA C 84 58.560 57.370 1.190 1
1 1072 . 3 1 1 A 84 84 SER CB C 84 64.100 67.135 -3.035 1
1 1073 . 3 1 1 A 84 84 SER N N 84 115.040 115.757 -0.717 1
1 1074 . 3 1 1 A 85 85 LYS H H 85 8.443 8.373 0.070 1
1 1075 . 3 1 1 A 85 85 LYS HA H 85 4.275 4.515 -0.240 1
1 1080 . 3 1 1 A 85 85 LYS C C 85 177.080 177.281 -0.201 1
1 1081 . 3 1 1 A 85 85 LYS CA C 85 56.960 56.167 0.793 1
1 1082 . 3 1 1 A 85 85 LYS CB C 85 33.150 33.087 0.063 1
1 1086 . 3 1 1 A 85 85 LYS N N 85 123.610 121.895 1.715 1
1 1087 . 3 1 1 A 86 86 SER H H 86 8.204 8.868 -0.664 1
1 1088 . 3 1 1 A 86 86 SER HA H 86 4.335 4.561 -0.226 1
1 1090 . 3 1 1 A 86 86 SER C C 86 174.080 175.182 -1.102 1
1 1091 . 3 1 1 A 86 86 SER CA C 86 58.400 58.310 0.090 1
1 1092 . 3 1 1 A 86 86 SER CB C 86 63.750 64.302 -0.552 1
1 1093 . 3 1 1 A 86 86 SER N N 86 115.780 117.092 -1.312 1
1 1094 . 3 1 1 A 87 87 ASP H H 87 8.435 8.961 -0.526 1
1 1095 . 3 1 1 A 87 87 ASP HA H 87 4.578 4.197 0.381 1
1 1098 . 3 1 1 A 87 87 ASP C C 87 176.630 178.006 -1.376 1
1 1099 . 3 1 1 A 87 87 ASP CA C 87 54.260 57.427 -3.167 1
1 1100 . 3 1 1 A 87 87 ASP CB C 87 40.780 41.079 -0.299 1
1 1101 . 3 1 1 A 87 87 ASP N N 87 121.910 125.090 -3.180 1
1 1102 . 3 1 1 A 88 88 SER H H 88 8.061 7.924 0.137 1
1 1103 . 3 1 1 A 88 88 SER HA H 88 4.328 3.982 0.346 1
1 1106 . 3 1 1 A 88 88 SER C C 88 174.840 174.809 0.031 1
1 1107 . 3 1 1 A 88 88 SER CA C 88 58.800 61.014 -2.214 1
1 1108 . 3 1 1 A 88 88 SER CB C 88 63.870 62.665 1.205 1
1 1109 . 3 1 1 A 88 88 SER N N 88 116.440 115.395 1.045 1
1 1110 . 3 1 1 A 89 89 ASP H H 89 8.556 7.786 0.770 1
1 1111 . 3 1 1 A 89 89 ASP HA H 89 4.460 4.935 -0.475 1
1 1114 . 3 1 1 A 89 89 ASP C C 89 177.450 177.790 -0.340 1
1 1115 . 3 1 1 A 89 89 ASP CA C 89 56.110 55.273 0.837 1
1 1116 . 3 1 1 A 89 89 ASP CB C 89 40.500 42.027 -1.527 1
1 1117 . 3 1 1 A 89 89 ASP N N 89 123.080 119.402 3.678 1
1 1118 . 3 1 1 A 90 90 ILE H H 90 7.756 7.883 -0.127 1
1 1119 . 3 1 1 A 90 90 ILE HA H 90 3.829 3.682 0.147 1
1 1129 . 3 1 1 A 90 90 ILE C C 90 177.060 178.036 -0.976 1
1 1130 . 3 1 1 A 90 90 ILE CA C 90 63.070 64.376 -1.306 1
1 1131 . 3 1 1 A 90 90 ILE CB C 90 38.290 37.295 0.995 1
1 1135 . 3 1 1 A 90 90 ILE N N 90 119.250 119.440 -0.190 1
1 1136 . 3 1 1 A 91 91 VAL H H 91 7.459 7.971 -0.512 1
1 1137 . 3 1 1 A 91 91 VAL HA H 91 3.613 3.433 0.180 1
1 1145 . 3 1 1 A 91 91 VAL C C 91 177.080 177.882 -0.802 1
1 1146 . 3 1 1 A 91 91 VAL CA C 91 65.250 66.422 -1.172 1
1 1147 . 3 1 1 A 91 91 VAL CB C 91 31.970 31.507 0.463 1
1 1150 . 3 1 1 A 91 91 VAL N N 91 121.040 121.980 -0.940 1
1 1151 . 3 1 1 A 92 92 ALA H H 92 8.076 8.042 0.034 1
1 1152 . 3 1 1 A 92 92 ALA HA H 92 4.098 3.921 0.177 1
1 1156 . 3 1 1 A 92 92 ALA C C 92 179.510 178.882 0.628 1
1 1157 . 3 1 1 A 92 92 ALA CA C 92 54.180 55.568 -1.388 1
1 1158 . 3 1 1 A 92 92 ALA CB C 92 18.660 18.114 0.546 1
1 1159 . 3 1 1 A 92 92 ALA N N 92 122.880 121.761 1.119 1
1 1160 . 3 1 1 A 93 93 LYS H H 93 7.946 7.988 -0.042 1
1 1161 . 3 1 1 A 93 93 LYS HA H 93 4.136 3.910 0.226 1
1 1170 . 3 1 1 A 93 93 LYS C C 93 178.300 179.079 -0.779 1
1 1171 . 3 1 1 A 93 93 LYS CA C 93 58.000 59.847 -1.847 1
1 1172 . 3 1 1 A 93 93 LYS CB C 93 32.550 31.992 0.558 1
1 1176 . 3 1 1 A 93 93 LYS N N 93 118.800 117.834 0.966 1
1 1177 . 3 1 1 A 94 94 ILE H H 94 7.894 7.740 0.154 1
1 1178 . 3 1 1 A 94 94 ILE HA H 94 3.906 3.955 -0.049 1
1 1188 . 3 1 1 A 94 94 ILE C C 94 177.720 176.605 1.115 1
1 1189 . 3 1 1 A 94 94 ILE CA C 94 63.200 63.214 -0.014 1
1 1190 . 3 1 1 A 94 94 ILE CB C 94 38.330 38.282 0.048 1
1 1194 . 3 1 1 A 94 94 ILE N N 94 120.760 116.102 4.658 1
1 1195 . 3 1 1 A 95 95 LYS H H 95 8.310 7.961 0.349 1
1 1196 . 3 1 1 A 95 95 LYS HA H 95 4.083 4.618 -0.535 1
1 1205 . 3 1 1 A 95 95 LYS C C 95 177.660 175.981 1.679 1
1 1206 . 3 1 1 A 95 95 LYS CA C 95 57.930 57.715 0.215 1
1 1207 . 3 1 1 A 95 95 LYS CB C 95 32.860 35.065 -2.205 1
1 1211 . 3 1 1 A 95 95 LYS N N 95 121.330 120.365 0.965 1
1 1212 . 3 1 1 A 96 96 GLY H H 96 8.122 7.395 0.727 1
1 1213 . 3 1 1 A 96 96 GLY HA2 H 96 3.999 4.092 -0.093 1
1 1214 . 3 1 1 A 96 96 GLY HA3 H 96 3.999 4.101 -0.102 1
1 1215 . 3 1 1 A 96 96 GLY C C 96 174.640 173.062 1.578 1
1 1216 . 3 1 1 A 96 96 GLY CA C 96 45.660 45.099 0.561 1
1 1217 . 3 1 1 A 96 96 GLY N N 96 107.870 105.420 2.450 1
1 1218 . 3 1 1 A 97 97 THR H H 97 7.968 8.690 -0.722 1
1 1219 . 3 1 1 A 97 97 THR HA H 97 4.294 3.880 0.414 1
1 1224 . 3 1 1 A 97 97 THR C C 97 174.590 173.534 1.056 1
1 1225 . 3 1 1 A 97 97 THR CA C 97 62.160 62.267 -0.107 1
1 1226 . 3 1 1 A 97 97 THR CB C 97 69.630 67.290 2.340 1
1 1228 . 3 1 1 A 97 97 THR N N 97 112.820 112.648 0.172 1
1 1229 . 3 1 1 A 98 98 PHE H H 98 7.938 8.118 -0.180 1
1 1230 . 3 1 1 A 98 98 PHE HA H 98 4.552 4.355 0.197 1
1 1235 . 3 1 1 A 98 98 PHE C C 98 175.370 176.460 -1.090 1
1 1236 . 3 1 1 A 98 98 PHE CA C 98 58.150 59.591 -1.441 1
1 1237 . 3 1 1 A 98 98 PHE CB C 98 39.550 38.942 0.608 1
1 1239 . 3 1 1 A 98 98 PHE N N 98 122.400 120.811 1.589 1
1 1240 . 3 1 1 A 99 99 LYS H H 99 7.986 8.264 -0.278 1
1 1241 . 3 1 1 A 99 99 LYS HA H 99 4.242 3.614 0.628 1
1 1250 . 3 1 1 A 99 99 LYS C C 99 175.750 176.145 -0.395 1
1 1251 . 3 1 1 A 99 99 LYS CA C 99 56.030 56.587 -0.557 1
1 1252 . 3 1 1 A 99 99 LYS CB C 99 33.390 30.807 2.583 1
1 1256 . 3 1 1 A 99 99 LYS N N 99 123.810 125.499 -1.689 1
1 1257 . 3 1 1 A 100 100 GLU H H 100 8.247 7.828 0.419 1
1 1258 . 3 1 1 A 100 100 GLU HA H 100 4.202 4.253 -0.051 1
1 1263 . 3 1 1 A 100 100 GLU C C 100 176.210 176.230 -0.020 1
1 1264 . 3 1 1 A 100 100 GLU CA C 100 56.270 57.053 -0.783 1
1 1265 . 3 1 1 A 100 100 GLU CB C 100 30.550 30.831 -0.281 1
1 1267 . 3 1 1 A 100 100 GLU N N 100 122.270 121.876 0.394 1
1 1268 . 3 1 1 A 101 101 ARG H H 101 8.415 8.285 0.130 1
1 1269 . 3 1 1 A 101 101 ARG HA H 101 4.590 4.951 -0.361 1
1 1276 . 3 1 1 A 101 101 ARG CA C 101 53.980 53.582 0.398 1
1 1277 . 3 1 1 A 101 101 ARG CB C 101 30.070 30.786 -0.716 1
1 1280 . 3 1 1 A 101 101 ARG N N 101 123.970 126.465 -2.495 1
1 1281 . 3 1 1 A 102 102 PRO HA H 102 4.421 4.409 0.012 1
1 1288 . 3 1 1 A 102 102 PRO C C 102 176.700 177.527 -0.827 1
1 1289 . 3 1 1 A 102 102 PRO CA C 102 63.090 64.749 -1.659 1
1 1290 . 3 1 1 A 102 102 PRO CB C 102 32.160 31.817 0.343 1
1 1293 . 3 1 1 A 103 103 LYS H H 103 8.445 8.040 0.405 1
1 1294 . 3 1 1 A 103 103 LYS HA H 103 4.294 4.606 -0.312 1
1 1303 . 3 1 1 A 103 103 LYS C C 103 175.690 175.541 0.149 1
1 1304 . 3 1 1 A 103 103 LYS CA C 103 56.380 55.543 0.837 1
1 1305 . 3 1 1 A 103 103 LYS CB C 103 33.150 32.962 0.188 1
1 1309 . 3 1 1 A 103 103 LYS N N 103 122.480 114.037 8.443 1
1 1 . 4 1 1 A 2 2 GLU HA H 2 4.372 4.166 0.206 1
1 6 . 4 1 1 A 2 2 GLU C C 2 175.830 176.225 -0.395 1
1 7 . 4 1 1 A 2 2 GLU CA C 2 56.340 58.713 -2.373 1
1 8 . 4 1 1 A 2 2 GLU CB C 2 30.550 28.478 2.072 1
1 10 . 4 1 1 A 3 3 MET H H 3 8.529 8.293 0.236 1
1 11 . 4 1 1 A 3 3 MET HA H 3 4.534 4.657 -0.123 1
1 19 . 4 1 1 A 3 3 MET C C 3 175.350 175.172 0.178 1
1 20 . 4 1 1 A 3 3 MET CA C 3 54.950 55.210 -0.260 1
1 21 . 4 1 1 A 3 3 MET CB C 3 33.150 34.097 -0.947 1
1 24 . 4 1 1 A 3 3 MET N N 3 122.340 119.729 2.611 1
1 25 . 4 1 1 A 4 4 LEU H H 4 8.265 7.917 0.348 1
1 26 . 4 1 1 A 4 4 LEU HA H 4 4.579 4.527 0.052 1
1 36 . 4 1 1 A 4 4 LEU CA C 4 52.620 50.629 1.991 1
1 37 . 4 1 1 A 4 4 LEU CB C 4 41.780 43.968 -2.188 1
1 41 . 4 1 1 A 4 4 LEU N N 4 125.280 120.384 4.896 1
1 42 . 4 1 1 A 5 5 PRO HA H 5 4.268 4.588 -0.320 1
1 49 . 4 1 1 A 5 5 PRO C C 5 175.390 175.105 0.285 1
1 50 . 4 1 1 A 5 5 PRO CA C 5 62.620 63.346 -0.726 1
1 51 . 4 1 1 A 5 5 PRO CB C 5 32.300 32.136 0.164 1
1 54 . 4 1 1 A 6 6 ASN H H 6 6.913 9.050 -2.137 1
1 55 . 4 1 1 A 6 6 ASN HA H 6 4.460 5.113 -0.653 1
1 60 . 4 1 1 A 6 6 ASN C C 6 172.390 175.204 -2.814 1
1 61 . 4 1 1 A 6 6 ASN CA C 6 52.920 52.786 0.134 1
1 62 . 4 1 1 A 6 6 ASN CB C 6 41.920 41.841 0.079 1
1 63 . 4 1 1 A 6 6 ASN N N 6 117.610 121.797 -4.187 1
1 65 . 4 1 1 A 7 7 GLN H H 7 8.465 8.829 -0.364 1
1 66 . 4 1 1 A 7 7 GLN HA H 7 4.164 4.250 -0.086 1
1 73 . 4 1 1 A 7 7 GLN C C 7 175.020 175.608 -0.588 1
1 74 . 4 1 1 A 7 7 GLN CA C 7 58.100 57.680 0.420 1
1 75 . 4 1 1 A 7 7 GLN CB C 7 29.270 29.364 -0.094 1
1 77 . 4 1 1 A 7 7 GLN N N 7 116.430 123.068 -6.638 1
1 79 . 4 1 1 A 8 8 THR H H 8 8.374 7.791 0.583 1
1 80 . 4 1 1 A 8 8 THR HA H 8 5.399 5.514 -0.115 1
1 85 . 4 1 1 A 8 8 THR C C 8 173.700 173.933 -0.233 1
1 86 . 4 1 1 A 8 8 THR CA C 8 62.380 61.500 0.880 1
1 87 . 4 1 1 A 8 8 THR CB C 8 69.100 72.736 -3.636 1
1 89 . 4 1 1 A 8 8 THR N N 8 118.220 111.373 6.847 1
1 90 . 4 1 1 A 9 9 ILE H H 9 8.794 9.268 -0.474 1
1 91 . 4 1 1 A 9 9 ILE HA H 9 5.085 5.438 -0.353 1
1 101 . 4 1 1 A 9 9 ILE C C 9 173.490 173.895 -0.405 1
1 102 . 4 1 1 A 9 9 ILE CA C 9 59.000 59.373 -0.373 1
1 103 . 4 1 1 A 9 9 ILE CB C 9 39.710 42.293 -2.583 1
1 107 . 4 1 1 A 9 9 ILE N N 9 118.250 120.553 -2.303 1
1 108 . 4 1 1 A 10 10 TYR H H 10 9.384 9.328 0.056 1
1 109 . 4 1 1 A 10 10 TYR HA H 10 5.032 5.313 -0.281 1
1 116 . 4 1 1 A 10 10 TYR C C 10 173.920 173.731 0.189 1
1 117 . 4 1 1 A 10 10 TYR CA C 10 55.240 55.656 -0.416 1
1 118 . 4 1 1 A 10 10 TYR CB C 10 40.700 41.736 -1.036 1
1 123 . 4 1 1 A 10 10 TYR N N 10 124.310 124.986 -0.676 1
1 124 . 4 1 1 A 11 11 ILE H H 11 9.000 9.151 -0.151 1
1 125 . 4 1 1 A 11 11 ILE HA H 11 4.629 4.314 0.315 1
1 135 . 4 1 1 A 11 11 ILE C C 11 180.280 175.492 4.788 1
1 136 . 4 1 1 A 11 11 ILE CA C 11 60.050 59.926 0.124 1
1 137 . 4 1 1 A 11 11 ILE CB C 11 40.350 38.753 1.597 1
1 141 . 4 1 1 A 11 11 ILE N N 11 126.640 127.995 -1.355 1
1 142 . 4 1 1 A 12 12 ASN H H 12 8.844 8.949 -0.105 1
1 143 . 4 1 1 A 12 12 ASN HA H 12 5.267 4.697 0.570 1
1 148 . 4 1 1 A 12 12 ASN C C 12 174.640 175.161 -0.521 1
1 149 . 4 1 1 A 12 12 ASN CA C 12 50.860 52.029 -1.169 1
1 150 . 4 1 1 A 12 12 ASN CB C 12 41.400 40.102 1.298 1
1 151 . 4 1 1 A 12 12 ASN N N 12 123.520 125.593 -2.073 1
1 153 . 4 1 1 A 13 13 ASN H H 13 8.689 7.835 0.854 1
1 154 . 4 1 1 A 13 13 ASN HA H 13 4.456 4.931 -0.475 1
1 159 . 4 1 1 A 13 13 ASN C C 13 176.140 173.892 2.248 1
1 160 . 4 1 1 A 13 13 ASN CA C 13 53.920 51.993 1.927 1
1 161 . 4 1 1 A 13 13 ASN CB C 13 39.360 39.572 -0.212 1
1 162 . 4 1 1 A 13 13 ASN N N 13 115.910 118.012 -2.102 1
1 164 . 4 1 1 A 14 14 LEU H H 14 8.221 7.500 0.721 1
1 165 . 4 1 1 A 14 14 LEU HA H 14 4.350 4.236 0.114 1
1 175 . 4 1 1 A 14 14 LEU C C 14 177.880 176.174 1.706 1
1 176 . 4 1 1 A 14 14 LEU CA C 14 54.000 55.526 -1.526 1
1 177 . 4 1 1 A 14 14 LEU CB C 14 42.830 43.029 -0.199 1
1 181 . 4 1 1 A 14 14 LEU N N 14 116.310 124.085 -7.775 1
1 182 . 4 1 1 A 15 15 ASN H H 15 9.226 8.830 0.396 1
1 183 . 4 1 1 A 15 15 ASN HA H 15 4.225 4.870 -0.645 1
1 188 . 4 1 1 A 15 15 ASN C C 15 176.150 176.779 -0.629 1
1 189 . 4 1 1 A 15 15 ASN CA C 15 54.210 52.864 1.346 1
1 190 . 4 1 1 A 15 15 ASN CB C 15 38.050 39.051 -1.001 1
1 191 . 4 1 1 A 15 15 ASN N N 15 120.300 124.131 -3.831 1
1 193 . 4 1 1 A 16 16 GLU H H 16 9.234 8.812 0.422 1
1 194 . 4 1 1 A 16 16 GLU HA H 16 4.110 4.101 0.009 1
1 199 . 4 1 1 A 16 16 GLU C C 16 176.510 178.155 -1.645 1
1 200 . 4 1 1 A 16 16 GLU CA C 16 57.800 58.485 -0.685 1
1 201 . 4 1 1 A 16 16 GLU CB C 16 29.300 29.044 0.256 1
1 203 . 4 1 1 A 16 16 GLU N N 16 128.160 126.300 1.860 1
1 204 . 4 1 1 A 17 17 LYS H H 17 8.421 8.115 0.306 1
1 205 . 4 1 1 A 17 17 LYS HA H 17 4.170 4.131 0.039 1
1 214 . 4 1 1 A 17 17 LYS C C 17 176.700 176.840 -0.140 1
1 215 . 4 1 1 A 17 17 LYS CA C 17 56.750 58.845 -2.095 1
1 216 . 4 1 1 A 17 17 LYS CB C 17 32.370 32.021 0.349 1
1 220 . 4 1 1 A 17 17 LYS N N 17 118.450 118.507 -0.057 1
1 221 . 4 1 1 A 18 18 ILE H H 18 6.751 7.358 -0.607 1
1 222 . 4 1 1 A 18 18 ILE HA H 18 3.830 3.895 -0.065 1
1 232 . 4 1 1 A 18 18 ILE C C 18 176.560 175.537 1.023 1
1 233 . 4 1 1 A 18 18 ILE CA C 18 58.640 61.679 -3.039 1
1 234 . 4 1 1 A 18 18 ILE CB C 18 35.940 38.099 -2.159 1
1 238 . 4 1 1 A 18 18 ILE N N 18 118.790 122.168 -3.378 1
1 239 . 4 1 1 A 19 19 LYS H H 19 8.815 8.641 0.174 1
1 240 . 4 1 1 A 19 19 LYS HA H 19 4.189 4.220 -0.031 1
1 249 . 4 1 1 A 19 19 LYS C C 19 178.340 177.788 0.552 1
1 250 . 4 1 1 A 19 19 LYS CA C 19 57.250 55.993 1.257 1
1 251 . 4 1 1 A 19 19 LYS CB C 19 32.800 33.755 -0.955 1
1 255 . 4 1 1 A 19 19 LYS N N 19 129.030 128.868 0.162 1
1 256 . 4 1 1 A 20 20 LYS H H 20 9.032 9.015 0.017 1
1 257 . 4 1 1 A 20 20 LYS HA H 20 3.854 3.880 -0.026 1
1 266 . 4 1 1 A 20 20 LYS C C 20 178.390 177.858 0.532 1
1 267 . 4 1 1 A 20 20 LYS CA C 20 59.740 60.467 -0.727 1
1 268 . 4 1 1 A 20 20 LYS CB C 20 31.390 32.055 -0.665 1
1 272 . 4 1 1 A 20 20 LYS N N 20 123.440 126.846 -3.406 1
1 273 . 4 1 1 A 21 21 GLU H H 21 9.341 7.924 1.417 1
1 274 . 4 1 1 A 21 21 GLU HA H 21 4.074 4.096 -0.022 1
1 279 . 4 1 1 A 21 21 GLU C C 21 179.120 179.415 -0.295 1
1 280 . 4 1 1 A 21 21 GLU CA C 21 60.270 59.363 0.907 1
1 281 . 4 1 1 A 21 21 GLU CB C 21 28.840 29.075 -0.235 1
1 283 . 4 1 1 A 21 21 GLU N N 21 117.890 118.208 -0.318 1
1 284 . 4 1 1 A 22 22 GLU H H 22 6.994 8.043 -1.049 1
1 285 . 4 1 1 A 22 22 GLU HA H 22 4.166 4.079 0.087 1
1 290 . 4 1 1 A 22 22 GLU C C 22 178.200 179.072 -0.872 1
1 291 . 4 1 1 A 22 22 GLU CA C 22 58.530 59.167 -0.637 1
1 292 . 4 1 1 A 22 22 GLU CB C 22 29.180 29.591 -0.411 1
1 294 . 4 1 1 A 22 22 GLU N N 22 119.810 120.226 -0.416 1
1 295 . 4 1 1 A 23 23 LEU H H 23 8.462 8.518 -0.056 1
1 296 . 4 1 1 A 23 23 LEU HA H 23 3.981 4.187 -0.206 1
1 306 . 4 1 1 A 23 23 LEU C C 23 178.780 178.619 0.161 1
1 307 . 4 1 1 A 23 23 LEU CA C 23 58.840 58.269 0.571 1
1 308 . 4 1 1 A 23 23 LEU CB C 23 42.420 41.987 0.433 1
1 312 . 4 1 1 A 23 23 LEU N N 23 121.220 122.021 -0.801 1
1 313 . 4 1 1 A 24 24 LYS H H 24 8.411 8.260 0.151 1
1 314 . 4 1 1 A 24 24 LYS HA H 24 3.808 3.841 -0.033 1
1 323 . 4 1 1 A 24 24 LYS C C 24 178.200 179.057 -0.857 1
1 324 . 4 1 1 A 24 24 LYS CA C 24 61.500 60.410 1.090 1
1 325 . 4 1 1 A 24 24 LYS CB C 24 32.500 32.307 0.193 1
1 329 . 4 1 1 A 24 24 LYS N N 24 116.620 118.856 -2.236 1
1 330 . 4 1 1 A 25 25 LYS H H 25 7.592 8.100 -0.508 1
1 331 . 4 1 1 A 25 25 LYS HA H 25 4.181 4.152 0.029 1
1 340 . 4 1 1 A 25 25 LYS C C 25 180.280 179.131 1.149 1
1 341 . 4 1 1 A 25 25 LYS CA C 25 60.140 59.305 0.835 1
1 342 . 4 1 1 A 25 25 LYS CB C 25 32.690 32.297 0.393 1
1 346 . 4 1 1 A 25 25 LYS N N 25 118.830 120.466 -1.636 1
1 347 . 4 1 1 A 26 26 SER H H 26 8.845 8.524 0.321 1
1 348 . 4 1 1 A 26 26 SER HA H 26 4.570 4.281 0.289 1
1 351 . 4 1 1 A 26 26 SER C C 26 176.880 176.432 0.448 1
1 352 . 4 1 1 A 26 26 SER CA C 26 62.210 62.693 -0.483 1
1 353 . 4 1 1 A 26 26 SER CB C 26 63.320 63.275 0.045 1
1 354 . 4 1 1 A 26 26 SER N N 26 117.880 117.394 0.486 1
1 355 . 4 1 1 A 27 27 LEU H H 27 9.040 8.508 0.532 1
1 356 . 4 1 1 A 27 27 LEU HA H 27 4.190 4.117 0.073 1
1 366 . 4 1 1 A 27 27 LEU C C 27 179.100 178.994 0.106 1
1 367 . 4 1 1 A 27 27 LEU CA C 27 57.960 57.836 0.124 1
1 368 . 4 1 1 A 27 27 LEU CB C 27 43.030 41.987 1.043 1
1 372 . 4 1 1 A 27 27 LEU N N 27 122.840 121.129 1.711 1
1 373 . 4 1 1 A 28 28 TYR H H 28 8.535 8.568 -0.033 1
1 374 . 4 1 1 A 28 28 TYR HA H 28 3.826 4.092 -0.266 1
1 379 . 4 1 1 A 28 28 TYR C C 28 178.360 177.905 0.455 1
1 380 . 4 1 1 A 28 28 TYR CA C 28 63.220 61.671 1.549 1
1 381 . 4 1 1 A 28 28 TYR CB C 28 38.320 38.804 -0.484 1
1 384 . 4 1 1 A 28 28 TYR N N 28 121.030 119.197 1.833 1
1 385 . 4 1 1 A 29 29 ALA H H 29 8.009 8.019 -0.010 1
1 386 . 4 1 1 A 29 29 ALA HA H 29 3.364 4.237 -0.873 1
1 390 . 4 1 1 A 29 29 ALA CA C 29 55.420 54.456 0.964 1
1 391 . 4 1 1 A 29 29 ALA CB C 29 18.920 19.202 -0.282 1
1 392 . 4 1 1 A 29 29 ALA N N 29 120.570 121.379 -0.809 1
1 393 . 4 1 1 A 30 30 ILE HA H 30 4.048 4.360 -0.312 1
1 403 . 4 1 1 A 30 30 ILE C C 30 177.270 177.638 -0.368 1
1 404 . 4 1 1 A 30 30 ILE CA C 30 63.380 61.815 1.565 1
1 405 . 4 1 1 A 30 30 ILE CB C 30 38.850 39.541 -0.691 1
1 409 . 4 1 1 A 31 31 PHE H H 31 8.446 8.724 -0.278 1
1 410 . 4 1 1 A 31 31 PHE HA H 31 4.900 4.515 0.385 1
1 415 . 4 1 1 A 31 31 PHE C C 31 177.820 178.392 -0.572 1
1 416 . 4 1 1 A 31 31 PHE CA C 31 62.380 60.333 2.047 1
1 417 . 4 1 1 A 31 31 PHE CB C 31 38.900 38.117 0.783 1
1 418 . 4 1 1 A 31 31 PHE N N 31 115.770 121.729 -5.959 1
1 419 . 4 1 1 A 32 32 SER H H 32 8.392 8.382 0.010 1
1 420 . 4 1 1 A 32 32 SER HA H 32 4.365 4.671 -0.306 1
1 423 . 4 1 1 A 32 32 SER C C 32 176.140 176.810 -0.670 1
1 424 . 4 1 1 A 32 32 SER CA C 32 61.680 61.589 0.091 1
1 425 . 4 1 1 A 32 32 SER CB C 32 62.460 62.507 -0.047 1
1 426 . 4 1 1 A 32 32 SER N N 32 116.890 116.206 0.684 1
1 427 . 4 1 1 A 33 33 GLN H H 33 7.310 7.651 -0.341 1
1 428 . 4 1 1 A 33 33 GLN HA H 33 4.059 3.934 0.125 1
1 435 . 4 1 1 A 33 33 GLN C C 33 176.330 176.270 0.060 1
1 436 . 4 1 1 A 33 33 GLN CA C 33 57.220 57.303 -0.083 1
1 437 . 4 1 1 A 33 33 GLN CB C 33 28.040 28.073 -0.033 1
1 439 . 4 1 1 A 33 33 GLN N N 33 117.530 119.486 -1.956 1
1 441 . 4 1 1 A 34 34 PHE H H 34 7.626 7.816 -0.190 1
1 442 . 4 1 1 A 34 34 PHE HA H 34 4.435 4.677 -0.242 1
1 447 . 4 1 1 A 34 34 PHE C C 34 175.590 176.046 -0.456 1
1 448 . 4 1 1 A 34 34 PHE CA C 34 59.410 58.774 0.636 1
1 449 . 4 1 1 A 34 34 PHE CB C 34 39.380 41.041 -1.661 1
1 452 . 4 1 1 A 34 34 PHE N N 34 116.090 115.212 0.878 1
1 453 . 4 1 1 A 35 35 GLY H H 35 7.595 7.753 -0.158 1
1 454 . 4 1 1 A 35 35 GLY HA2 H 35 3.960 4.147 -0.187 1
1 455 . 4 1 1 A 35 35 GLY HA3 H 35 4.612 4.189 0.423 1
1 456 . 4 1 1 A 35 35 GLY C C 35 170.890 173.046 -2.156 1
1 457 . 4 1 1 A 35 35 GLY CA C 35 44.160 45.428 -1.268 1
1 458 . 4 1 1 A 35 35 GLY N N 35 107.470 104.553 2.917 1
1 459 . 4 1 1 A 36 36 GLN H H 36 8.404 8.657 -0.253 1
1 460 . 4 1 1 A 36 36 GLN HA H 36 4.275 4.340 -0.065 1
1 467 . 4 1 1 A 36 36 GLN C C 36 176.650 176.179 0.471 1
1 468 . 4 1 1 A 36 36 GLN CA C 36 57.180 56.505 0.675 1
1 469 . 4 1 1 A 36 36 GLN CB C 36 29.360 29.080 0.280 1
1 471 . 4 1 1 A 36 36 GLN N N 36 116.620 124.226 -7.606 1
1 473 . 4 1 1 A 37 37 ILE H H 37 9.009 8.890 0.119 1
1 474 . 4 1 1 A 37 37 ILE HA H 37 4.068 3.833 0.235 1
1 484 . 4 1 1 A 37 37 ILE C C 37 176.530 175.924 0.606 1
1 485 . 4 1 1 A 37 37 ILE CA C 37 61.270 62.403 -1.133 1
1 486 . 4 1 1 A 37 37 ILE CB C 37 40.600 38.123 2.477 1
1 490 . 4 1 1 A 37 37 ILE N N 37 129.370 127.511 1.859 1
1 491 . 4 1 1 A 38 38 LEU H H 38 9.472 9.218 0.254 1
1 492 . 4 1 1 A 38 38 LEU HA H 38 4.291 4.524 -0.233 1
1 502 . 4 1 1 A 38 38 LEU C C 38 176.900 175.398 1.502 1
1 503 . 4 1 1 A 38 38 LEU CA C 38 56.520 55.888 0.632 1
1 504 . 4 1 1 A 38 38 LEU CB C 38 42.030 45.184 -3.154 1
1 508 . 4 1 1 A 38 38 LEU N N 38 128.180 128.495 -0.315 1
1 509 . 4 1 1 A 39 39 ASP H H 39 7.493 7.665 -0.172 1
1 510 . 4 1 1 A 39 39 ASP HA H 39 4.715 4.947 -0.232 1
1 513 . 4 1 1 A 39 39 ASP C C 39 173.560 173.761 -0.201 1
1 514 . 4 1 1 A 39 39 ASP CA C 39 53.510 53.459 0.051 1
1 515 . 4 1 1 A 39 39 ASP CB C 39 44.160 43.921 0.239 1
1 516 . 4 1 1 A 39 39 ASP N N 39 114.640 117.302 -2.662 1
1 517 . 4 1 1 A 40 40 ILE H H 40 8.537 8.525 0.012 1
1 518 . 4 1 1 A 40 40 ILE HA H 40 4.722 4.832 -0.110 1
1 528 . 4 1 1 A 40 40 ILE C C 40 174.090 174.821 -0.731 1
1 529 . 4 1 1 A 40 40 ILE CA C 40 61.060 59.919 1.141 1
1 530 . 4 1 1 A 40 40 ILE CB C 40 41.220 42.244 -1.024 1
1 534 . 4 1 1 A 40 40 ILE N N 40 119.670 121.890 -2.220 1
1 535 . 4 1 1 A 41 41 VAL H H 41 8.807 8.814 -0.007 1
1 536 . 4 1 1 A 41 41 VAL HA H 41 4.195 4.904 -0.709 1
1 544 . 4 1 1 A 41 41 VAL C C 41 174.470 174.476 -0.006 1
1 545 . 4 1 1 A 41 41 VAL CA C 41 61.020 61.023 -0.003 1
1 546 . 4 1 1 A 41 41 VAL CB C 41 34.160 34.507 -0.347 1
1 549 . 4 1 1 A 41 41 VAL N N 41 127.000 126.010 0.990 1
1 550 . 4 1 1 A 42 42 ALA H H 42 8.708 8.798 -0.090 1
1 551 . 4 1 1 A 42 42 ALA HA H 42 4.796 5.027 -0.231 1
1 555 . 4 1 1 A 42 42 ALA C C 42 175.210 175.430 -0.220 1
1 556 . 4 1 1 A 42 42 ALA CA C 42 51.430 51.271 0.159 1
1 557 . 4 1 1 A 42 42 ALA CB C 42 19.780 24.186 -4.406 1
1 558 . 4 1 1 A 42 42 ALA N N 42 130.100 128.042 2.058 1
1 559 . 4 1 1 A 43 43 LEU H H 43 8.224 8.949 -0.725 1
1 560 . 4 1 1 A 43 43 LEU HA H 43 4.575 4.949 -0.374 1
1 570 . 4 1 1 A 43 43 LEU CA C 43 54.620 53.559 1.061 1
1 571 . 4 1 1 A 43 43 LEU CB C 43 43.640 45.646 -2.006 1
1 575 . 4 1 1 A 43 43 LEU N N 43 122.270 119.000 3.270 1
1 576 . 4 1 1 A 44 44 LYS HA H 44 4.570 4.202 0.368 1
1 585 . 4 1 1 A 44 44 LYS CA C 44 56.000 58.423 -2.423 1
1 586 . 4 1 1 A 44 44 LYS CB C 44 32.940 32.699 0.241 1
1 590 . 4 1 1 A 45 45 THR H H 45 7.706 7.474 0.232 1
1 591 . 4 1 1 A 45 45 THR HA H 45 4.494 4.151 0.343 1
1 596 . 4 1 1 A 45 45 THR CA C 45 60.500 64.409 -3.909 1
1 597 . 4 1 1 A 45 45 THR CB C 45 70.450 69.314 1.136 1
1 599 . 4 1 1 A 45 45 THR N N 45 113.650 115.007 -1.357 1
1 600 . 4 1 1 A 46 46 LEU HA H 46 4.142 4.014 0.128 1
1 610 . 4 1 1 A 46 46 LEU C C 46 179.030 178.318 0.712 1
1 611 . 4 1 1 A 46 46 LEU CA C 46 57.630 58.702 -1.072 1
1 612 . 4 1 1 A 46 46 LEU CB C 46 42.020 41.485 0.535 1
1 616 . 4 1 1 A 47 47 LYS H H 47 8.325 8.647 -0.322 1
1 617 . 4 1 1 A 47 47 LYS HA H 47 4.139 4.144 -0.005 1
1 626 . 4 1 1 A 47 47 LYS C C 47 176.700 176.911 -0.211 1
1 627 . 4 1 1 A 47 47 LYS CA C 47 57.800 58.491 -0.691 1
1 628 . 4 1 1 A 47 47 LYS CB C 47 32.440 31.575 0.865 1
1 632 . 4 1 1 A 47 47 LYS N N 47 116.870 116.812 0.058 1
1 633 . 4 1 1 A 48 48 MET H H 48 7.649 8.165 -0.516 1
1 634 . 4 1 1 A 48 48 MET HA H 48 4.581 4.707 -0.126 1
1 642 . 4 1 1 A 48 48 MET C C 48 175.550 176.611 -1.061 1
1 643 . 4 1 1 A 48 48 MET CA C 48 54.970 54.383 0.587 1
1 644 . 4 1 1 A 48 48 MET CB C 48 32.770 33.140 -0.370 1
1 647 . 4 1 1 A 48 48 MET N N 48 116.090 119.556 -3.466 1
1 648 . 4 1 1 A 49 49 ARG H H 49 7.653 8.353 -0.700 1
1 649 . 4 1 1 A 49 49 ARG HA H 49 4.377 4.566 -0.189 1
1 656 . 4 1 1 A 49 49 ARG C C 49 177.450 177.908 -0.458 1
1 657 . 4 1 1 A 49 49 ARG CA C 49 57.250 56.893 0.357 1
1 658 . 4 1 1 A 49 49 ARG CB C 49 30.400 32.314 -1.914 1
1 661 . 4 1 1 A 49 49 ARG N N 49 119.580 121.282 -1.702 1
1 662 . 4 1 1 A 50 50 GLY H H 50 9.177 8.039 1.138 1
1 663 . 4 1 1 A 50 50 GLY HA2 H 50 3.960 3.940 0.020 1
1 664 . 4 1 1 A 50 50 GLY HA3 H 50 4.107 3.950 0.157 1
1 665 . 4 1 1 A 50 50 GLY C C 50 172.960 173.643 -0.683 1
1 666 . 4 1 1 A 50 50 GLY CA C 50 46.140 45.328 0.812 1
1 667 . 4 1 1 A 50 50 GLY N N 50 111.640 106.654 4.986 1
1 668 . 4 1 1 A 51 51 GLN H H 51 7.853 7.607 0.246 1
1 669 . 4 1 1 A 51 51 GLN HA H 51 5.516 4.778 0.738 1
1 675 . 4 1 1 A 51 51 GLN C C 51 174.800 173.949 0.851 1
1 676 . 4 1 1 A 51 51 GLN CA C 51 54.160 54.082 0.078 1
1 677 . 4 1 1 A 51 51 GLN CB C 51 34.330 33.115 1.215 1
1 679 . 4 1 1 A 51 51 GLN N N 51 117.000 118.278 -1.278 1
1 681 . 4 1 1 A 52 52 ALA H H 52 8.765 8.307 0.458 1
1 682 . 4 1 1 A 52 52 ALA HA H 52 5.098 4.863 0.235 1
1 686 . 4 1 1 A 52 52 ALA C C 52 174.820 175.414 -0.594 1
1 687 . 4 1 1 A 52 52 ALA CA C 52 51.170 51.242 -0.072 1
1 688 . 4 1 1 A 52 52 ALA CB C 52 23.350 23.659 -0.309 1
1 689 . 4 1 1 A 52 52 ALA N N 52 121.050 122.268 -1.218 1
1 690 . 4 1 1 A 53 53 PHE H H 53 8.840 8.980 -0.140 1
1 691 . 4 1 1 A 53 53 PHE HA H 53 5.615 5.559 0.056 1
1 696 . 4 1 1 A 53 53 PHE C C 53 174.870 174.530 0.340 1
1 697 . 4 1 1 A 53 53 PHE CA C 53 55.770 56.644 -0.874 1
1 698 . 4 1 1 A 53 53 PHE CB C 53 41.530 43.895 -2.365 1
1 701 . 4 1 1 A 53 53 PHE N N 53 115.860 116.846 -0.986 1
1 702 . 4 1 1 A 54 54 VAL H H 54 8.766 8.747 0.019 1
1 703 . 4 1 1 A 54 54 VAL HA H 54 4.169 4.716 -0.547 1
1 711 . 4 1 1 A 54 54 VAL C C 54 173.330 173.731 -0.401 1
1 712 . 4 1 1 A 54 54 VAL CA C 54 61.920 60.147 1.773 1
1 713 . 4 1 1 A 54 54 VAL CB C 54 32.860 35.536 -2.676 1
1 716 . 4 1 1 A 54 54 VAL N N 54 121.920 118.939 2.981 1
1 717 . 4 1 1 A 55 55 ILE H H 55 8.319 9.087 -0.768 1
1 718 . 4 1 1 A 55 55 ILE HA H 55 4.512 5.174 -0.662 1
1 728 . 4 1 1 A 55 55 ILE C C 55 173.920 174.670 -0.750 1
1 729 . 4 1 1 A 55 55 ILE CA C 55 60.880 59.992 0.888 1
1 730 . 4 1 1 A 55 55 ILE CB C 55 39.130 39.626 -0.496 1
1 734 . 4 1 1 A 55 55 ILE N N 55 126.350 127.971 -1.621 1
1 735 . 4 1 1 A 56 56 PHE H H 56 9.009 9.098 -0.089 1
1 736 . 4 1 1 A 56 56 PHE HA H 56 4.889 4.958 -0.069 1
1 741 . 4 1 1 A 56 56 PHE C C 56 175.180 176.429 -1.249 1
1 742 . 4 1 1 A 56 56 PHE CA C 56 59.030 56.831 2.199 1
1 743 . 4 1 1 A 56 56 PHE CB C 56 40.320 43.104 -2.784 1
1 744 . 4 1 1 A 56 56 PHE N N 56 126.440 125.186 1.254 1
1 745 . 4 1 1 A 57 57 LYS H H 57 8.191 8.846 -0.655 1
1 746 . 4 1 1 A 57 57 LYS HA H 57 3.969 4.141 -0.172 1
1 755 . 4 1 1 A 57 57 LYS C C 57 176.140 176.433 -0.293 1
1 756 . 4 1 1 A 57 57 LYS CA C 57 59.290 58.505 0.785 1
1 757 . 4 1 1 A 57 57 LYS CB C 57 33.850 32.657 1.193 1
1 761 . 4 1 1 A 57 57 LYS N N 57 119.130 121.350 -2.220 1
1 762 . 4 1 1 A 58 58 GLU H H 58 8.614 7.917 0.697 1
1 763 . 4 1 1 A 58 58 GLU HA H 58 4.850 4.706 0.144 1
1 768 . 4 1 1 A 58 58 GLU C C 58 177.130 176.295 0.835 1
1 769 . 4 1 1 A 58 58 GLU CA C 58 54.130 55.845 -1.715 1
1 770 . 4 1 1 A 58 58 GLU CB C 58 32.230 32.937 -0.707 1
1 772 . 4 1 1 A 58 58 GLU N N 58 114.350 116.952 -2.602 1
1 773 . 4 1 1 A 59 59 ILE H H 59 8.825 8.668 0.157 1
1 774 . 4 1 1 A 59 59 ILE HA H 59 3.499 3.828 -0.329 1
1 784 . 4 1 1 A 59 59 ILE C C 59 177.650 178.106 -0.456 1
1 785 . 4 1 1 A 59 59 ILE CA C 59 65.660 64.281 1.379 1
1 786 . 4 1 1 A 59 59 ILE CB C 59 38.040 37.606 0.434 1
1 790 . 4 1 1 A 59 59 ILE N N 59 122.940 123.458 -0.518 1
1 791 . 4 1 1 A 60 60 GLY H H 60 8.875 8.468 0.407 1
1 792 . 4 1 1 A 60 60 GLY HA2 H 60 3.780 3.799 -0.019 1
1 793 . 4 1 1 A 60 60 GLY HA3 H 60 3.925 3.813 0.112 1
1 794 . 4 1 1 A 60 60 GLY C C 60 176.700 176.657 0.043 1
1 795 . 4 1 1 A 60 60 GLY CA C 60 47.070 47.479 -0.409 1
1 796 . 4 1 1 A 60 60 GLY N N 60 106.980 111.084 -4.104 1
1 797 . 4 1 1 A 61 61 SER H H 61 6.973 8.000 -1.027 1
1 798 . 4 1 1 A 61 61 SER HA H 61 4.141 4.268 -0.127 1
1 801 . 4 1 1 A 61 61 SER C C 61 174.060 176.225 -2.165 1
1 802 . 4 1 1 A 61 61 SER CA C 61 61.870 62.498 -0.628 1
1 803 . 4 1 1 A 61 61 SER CB C 61 63.150 62.744 0.406 1
1 804 . 4 1 1 A 61 61 SER N N 61 116.200 119.331 -3.131 1
1 805 . 4 1 1 A 62 62 ALA H H 62 6.786 8.224 -1.438 1
1 806 . 4 1 1 A 62 62 ALA HA H 62 3.370 2.854 0.516 1
1 810 . 4 1 1 A 62 62 ALA C C 62 178.960 179.186 -0.226 1
1 811 . 4 1 1 A 62 62 ALA CA C 62 55.370 54.819 0.551 1
1 812 . 4 1 1 A 62 62 ALA CB C 62 19.030 18.461 0.569 1
1 813 . 4 1 1 A 62 62 ALA N N 62 123.660 123.716 -0.056 1
1 814 . 4 1 1 A 63 63 SER H H 63 8.379 8.002 0.377 1
1 815 . 4 1 1 A 63 63 SER HA H 63 4.551 4.121 0.430 1
1 818 . 4 1 1 A 63 63 SER C C 63 177.040 176.088 0.952 1
1 819 . 4 1 1 A 63 63 SER CA C 63 61.000 61.543 -0.543 1
1 820 . 4 1 1 A 63 63 SER CB C 63 63.090 62.809 0.281 1
1 821 . 4 1 1 A 63 63 SER N N 63 111.560 112.942 -1.382 1
1 822 . 4 1 1 A 64 64 ASN H H 64 7.737 8.329 -0.592 1
1 823 . 4 1 1 A 64 64 ASN HA H 64 4.434 4.365 0.069 1
1 828 . 4 1 1 A 64 64 ASN C C 64 177.490 177.067 0.423 1
1 829 . 4 1 1 A 64 64 ASN CA C 64 55.410 56.199 -0.789 1
1 830 . 4 1 1 A 64 64 ASN CB C 64 37.930 38.716 -0.786 1
1 831 . 4 1 1 A 64 64 ASN N N 64 120.200 120.437 -0.237 1
1 833 . 4 1 1 A 65 65 ALA H H 65 8.085 8.034 0.051 1
1 834 . 4 1 1 A 65 65 ALA HA H 65 4.864 4.054 0.810 1
1 838 . 4 1 1 A 65 65 ALA C C 65 178.180 179.651 -1.471 1
1 839 . 4 1 1 A 65 65 ALA CA C 65 54.700 55.032 -0.332 1
1 840 . 4 1 1 A 65 65 ALA CB C 65 19.950 18.122 1.828 1
1 841 . 4 1 1 A 65 65 ALA N N 65 125.150 121.843 3.307 1
1 842 . 4 1 1 A 66 66 LEU H H 66 8.083 8.058 0.025 1
1 843 . 4 1 1 A 66 66 LEU HA H 66 3.560 4.097 -0.537 1
1 853 . 4 1 1 A 66 66 LEU C C 66 177.650 178.489 -0.839 1
1 854 . 4 1 1 A 66 66 LEU CA C 66 59.540 58.116 1.424 1
1 855 . 4 1 1 A 66 66 LEU CB C 66 42.020 41.503 0.517 1
1 859 . 4 1 1 A 66 66 LEU N N 66 118.670 119.525 -0.855 1
1 860 . 4 1 1 A 67 67 ARG H H 67 7.620 8.408 -0.788 1
1 861 . 4 1 1 A 67 67 ARG HA H 67 3.939 3.814 0.125 1
1 868 . 4 1 1 A 67 67 ARG C C 67 178.960 178.694 0.266 1
1 869 . 4 1 1 A 67 67 ARG CA C 67 58.860 59.452 -0.592 1
1 870 . 4 1 1 A 67 67 ARG CB C 67 30.570 29.678 0.892 1
1 873 . 4 1 1 A 67 67 ARG N N 67 114.570 119.346 -4.776 1
1 874 . 4 1 1 A 68 68 THR H H 68 7.850 8.217 -0.367 1
1 875 . 4 1 1 A 68 68 THR HA H 68 4.040 3.679 0.361 1
1 880 . 4 1 1 A 68 68 THR C C 68 175.960 175.566 0.394 1
1 881 . 4 1 1 A 68 68 THR CA C 68 66.160 66.284 -0.124 1
1 882 . 4 1 1 A 68 68 THR CB C 68 69.260 67.591 1.669 1
1 884 . 4 1 1 A 68 68 THR N N 68 112.630 115.900 -3.270 1
1 885 . 4 1 1 A 69 69 MET H H 69 7.934 7.805 0.129 1
1 886 . 4 1 1 A 69 69 MET HA H 69 4.734 4.324 0.410 1
1 894 . 4 1 1 A 69 69 MET C C 69 175.820 175.907 -0.087 1
1 895 . 4 1 1 A 69 69 MET CA C 69 53.560 54.909 -1.349 1
1 896 . 4 1 1 A 69 69 MET CB C 69 29.730 31.728 -1.998 1
1 899 . 4 1 1 A 69 69 MET N N 69 115.080 115.933 -0.853 1
1 900 . 4 1 1 A 70 70 GLN H H 70 7.003 7.561 -0.558 1
1 901 . 4 1 1 A 70 70 GLN HA H 70 4.043 3.945 0.098 1
1 908 . 4 1 1 A 70 70 GLN C C 70 178.020 177.342 0.678 1
1 909 . 4 1 1 A 70 70 GLN CA C 70 57.710 58.054 -0.344 1
1 910 . 4 1 1 A 70 70 GLN CB C 70 30.080 28.265 1.815 1
1 912 . 4 1 1 A 70 70 GLN N N 70 120.730 120.401 0.329 1
1 914 . 4 1 1 A 71 71 GLY H H 71 8.693 8.714 -0.021 1
1 915 . 4 1 1 A 71 71 GLY HA2 H 71 4.230 3.915 0.315 1
1 916 . 4 1 1 A 71 71 GLY HA3 H 71 3.817 3.921 -0.104 1
1 917 . 4 1 1 A 71 71 GLY C C 71 173.290 174.237 -0.947 1
1 918 . 4 1 1 A 71 71 GLY CA C 71 45.960 45.869 0.091 1
1 919 . 4 1 1 A 71 71 GLY N N 71 118.750 114.777 3.973 1
1 920 . 4 1 1 A 72 72 PHE H H 72 8.426 8.131 0.295 1
1 921 . 4 1 1 A 72 72 PHE HA H 72 4.641 4.522 0.119 1
1 926 . 4 1 1 A 72 72 PHE CA C 72 56.830 57.062 -0.232 1
1 927 . 4 1 1 A 72 72 PHE CB C 72 40.650 39.899 0.751 1
1 928 . 4 1 1 A 72 72 PHE N N 72 124.640 122.045 2.595 1
1 929 . 4 1 1 A 73 73 PRO HA H 73 4.052 4.832 -0.780 1
1 934 . 4 1 1 A 73 73 PRO C C 73 174.500 176.447 -1.947 1
1 935 . 4 1 1 A 73 73 PRO CA C 73 62.460 62.185 0.275 1
1 936 . 4 1 1 A 73 73 PRO CB C 73 30.700 28.748 1.952 1
1 939 . 4 1 1 A 74 74 PHE H H 74 8.382 8.671 -0.289 1
1 940 . 4 1 1 A 74 74 PHE HA H 74 4.235 4.412 -0.177 1
1 945 . 4 1 1 A 74 74 PHE C C 74 175.590 175.504 0.086 1
1 946 . 4 1 1 A 74 74 PHE CA C 74 56.440 61.923 -5.483 1
1 947 . 4 1 1 A 74 74 PHE CB C 74 42.540 39.824 2.716 1
1 950 . 4 1 1 A 74 74 PHE N N 74 128.220 122.817 5.403 1
1 951 . 4 1 1 A 75 75 TYR H H 75 9.185 7.971 1.214 1
1 952 . 4 1 1 A 75 75 TYR HA H 75 3.764 4.962 -1.198 1
1 957 . 4 1 1 A 75 75 TYR C C 75 175.210 175.352 -0.142 1
1 958 . 4 1 1 A 75 75 TYR CA C 75 60.780 56.003 4.777 1
1 959 . 4 1 1 A 75 75 TYR CB C 75 36.110 38.810 -2.700 1
1 962 . 4 1 1 A 75 75 TYR N N 75 128.090 114.835 13.255 1
1 963 . 4 1 1 A 76 76 ASP H H 76 8.306 8.607 -0.301 1
1 964 . 4 1 1 A 76 76 ASP HA H 76 4.075 4.161 -0.086 1
1 967 . 4 1 1 A 76 76 ASP C C 76 175.390 175.116 0.274 1
1 968 . 4 1 1 A 76 76 ASP CA C 76 56.360 55.158 1.202 1
1 969 . 4 1 1 A 76 76 ASP CB C 76 40.510 39.974 0.536 1
1 970 . 4 1 1 A 76 76 ASP N N 76 107.370 120.785 -13.415 1
1 971 . 4 1 1 A 77 77 LYS H H 77 7.687 7.718 -0.031 1
1 972 . 4 1 1 A 77 77 LYS HA H 77 5.020 4.813 0.207 1
1 981 . 4 1 1 A 77 77 LYS CA C 77 53.450 53.064 0.386 1
1 982 . 4 1 1 A 77 77 LYS CB C 77 34.800 35.637 -0.837 1
1 986 . 4 1 1 A 77 77 LYS N N 77 118.880 118.657 0.223 1
1 987 . 4 1 1 A 78 78 PRO HA H 78 4.240 4.629 -0.389 1
1 994 . 4 1 1 A 78 78 PRO C C 78 177.470 177.183 0.287 1
1 995 . 4 1 1 A 78 78 PRO CA C 78 62.310 62.853 -0.543 1
1 996 . 4 1 1 A 78 78 PRO CB C 78 31.690 32.030 -0.340 1
1 999 . 4 1 1 A 79 79 MET H H 79 8.696 8.570 0.126 1
1 1000 . 4 1 1 A 79 79 MET HA H 79 4.289 4.602 -0.313 1
1 1008 . 4 1 1 A 79 79 MET C C 79 175.960 175.712 0.248 1
1 1009 . 4 1 1 A 79 79 MET CA C 79 58.600 56.584 2.016 1
1 1010 . 4 1 1 A 79 79 MET CB C 79 35.200 33.633 1.567 1
1 1013 . 4 1 1 A 79 79 MET N N 79 126.540 122.042 4.498 1
1 1014 . 4 1 1 A 80 80 GLN H H 80 7.779 8.557 -0.778 1
1 1015 . 4 1 1 A 80 80 GLN HA H 80 4.855 5.283 -0.428 1
1 1022 . 4 1 1 A 80 80 GLN C C 80 174.820 174.542 0.278 1
1 1023 . 4 1 1 A 80 80 GLN CA C 80 54.550 54.398 0.152 1
1 1024 . 4 1 1 A 80 80 GLN CB C 80 29.320 32.418 -3.098 1
1 1026 . 4 1 1 A 80 80 GLN N N 80 122.810 121.585 1.225 1
1 1028 . 4 1 1 A 81 81 ILE H H 81 9.682 8.868 0.814 1
1 1029 . 4 1 1 A 81 81 ILE HA H 81 5.010 4.929 0.081 1
1 1039 . 4 1 1 A 81 81 ILE C C 81 174.710 174.248 0.462 1
1 1040 . 4 1 1 A 81 81 ILE CA C 81 60.900 60.015 0.885 1
1 1041 . 4 1 1 A 81 81 ILE CB C 81 40.120 42.286 -2.166 1
1 1045 . 4 1 1 A 81 81 ILE N N 81 126.070 126.127 -0.057 1
1 1046 . 4 1 1 A 82 82 ALA H H 82 9.039 8.636 0.403 1
1 1047 . 4 1 1 A 82 82 ALA HA H 82 4.620 5.264 -0.644 1
1 1051 . 4 1 1 A 82 82 ALA C C 82 176.700 175.644 1.056 1
1 1052 . 4 1 1 A 82 82 ALA CA C 82 50.890 50.655 0.235 1
1 1053 . 4 1 1 A 82 82 ALA CB C 82 23.420 23.724 -0.304 1
1 1054 . 4 1 1 A 82 82 ALA N N 82 130.310 125.545 4.765 1
1 1055 . 4 1 1 A 83 83 TYR H H 83 8.411 8.807 -0.396 1
1 1056 . 4 1 1 A 83 83 TYR HA H 83 4.905 4.906 -0.001 1
1 1061 . 4 1 1 A 83 83 TYR C C 83 176.900 175.535 1.365 1
1 1062 . 4 1 1 A 83 83 TYR CA C 83 59.280 57.183 2.097 1
1 1063 . 4 1 1 A 83 83 TYR CB C 83 39.350 39.954 -0.604 1
1 1065 . 4 1 1 A 83 83 TYR N N 83 118.580 119.430 -0.850 1
1 1066 . 4 1 1 A 84 84 SER H H 84 8.452 9.082 -0.630 1
1 1067 . 4 1 1 A 84 84 SER HA H 84 4.248 4.502 -0.254 1
1 1070 . 4 1 1 A 84 84 SER C C 84 174.220 174.239 -0.019 1
1 1071 . 4 1 1 A 84 84 SER CA C 84 58.560 58.221 0.339 1
1 1072 . 4 1 1 A 84 84 SER CB C 84 64.100 61.351 2.749 1
1 1073 . 4 1 1 A 84 84 SER N N 84 115.040 119.253 -4.213 1
1 1074 . 4 1 1 A 85 85 LYS H H 85 8.443 8.087 0.356 1
1 1075 . 4 1 1 A 85 85 LYS HA H 85 4.275 4.206 0.069 1
1 1080 . 4 1 1 A 85 85 LYS C C 85 177.080 176.754 0.326 1
1 1081 . 4 1 1 A 85 85 LYS CA C 85 56.960 58.420 -1.460 1
1 1082 . 4 1 1 A 85 85 LYS CB C 85 33.150 32.029 1.121 1
1 1086 . 4 1 1 A 85 85 LYS N N 85 123.610 127.274 -3.664 1
1 1087 . 4 1 1 A 86 86 SER H H 86 8.204 7.547 0.657 1
1 1088 . 4 1 1 A 86 86 SER HA H 86 4.335 4.855 -0.520 1
1 1090 . 4 1 1 A 86 86 SER C C 86 174.080 174.668 -0.588 1
1 1091 . 4 1 1 A 86 86 SER CA C 86 58.400 57.639 0.761 1
1 1092 . 4 1 1 A 86 86 SER CB C 86 63.750 63.864 -0.114 1
1 1093 . 4 1 1 A 86 86 SER N N 86 115.780 112.722 3.058 1
1 1094 . 4 1 1 A 87 87 ASP H H 87 8.435 7.945 0.490 1
1 1095 . 4 1 1 A 87 87 ASP HA H 87 4.578 4.085 0.493 1
1 1098 . 4 1 1 A 87 87 ASP C C 87 176.630 178.406 -1.776 1
1 1099 . 4 1 1 A 87 87 ASP CA C 87 54.260 57.904 -3.644 1
1 1100 . 4 1 1 A 87 87 ASP CB C 87 40.780 41.873 -1.093 1
1 1101 . 4 1 1 A 87 87 ASP N N 87 121.910 123.714 -1.804 1
1 1102 . 4 1 1 A 88 88 SER H H 88 8.061 8.048 0.013 1
1 1103 . 4 1 1 A 88 88 SER HA H 88 4.328 4.074 0.254 1
1 1106 . 4 1 1 A 88 88 SER C C 88 174.840 175.836 -0.996 1
1 1107 . 4 1 1 A 88 88 SER CA C 88 58.800 61.759 -2.959 1
1 1108 . 4 1 1 A 88 88 SER CB C 88 63.870 62.806 1.064 1
1 1109 . 4 1 1 A 88 88 SER N N 88 116.440 115.982 0.458 1
1 1110 . 4 1 1 A 89 89 ASP H H 89 8.556 7.870 0.686 1
1 1111 . 4 1 1 A 89 89 ASP HA H 89 4.460 4.370 0.090 1
1 1114 . 4 1 1 A 89 89 ASP C C 89 177.450 178.212 -0.762 1
1 1115 . 4 1 1 A 89 89 ASP CA C 89 56.110 57.487 -1.377 1
1 1116 . 4 1 1 A 89 89 ASP CB C 89 40.500 41.002 -0.502 1
1 1117 . 4 1 1 A 89 89 ASP N N 89 123.080 121.586 1.494 1
1 1118 . 4 1 1 A 90 90 ILE H H 90 7.756 7.545 0.211 1
1 1119 . 4 1 1 A 90 90 ILE HA H 90 3.829 3.644 0.185 1
1 1129 . 4 1 1 A 90 90 ILE C C 90 177.060 177.965 -0.905 1
1 1130 . 4 1 1 A 90 90 ILE CA C 90 63.070 64.351 -1.281 1
1 1131 . 4 1 1 A 90 90 ILE CB C 90 38.290 37.198 1.092 1
1 1135 . 4 1 1 A 90 90 ILE N N 90 119.250 118.142 1.108 1
1 1136 . 4 1 1 A 91 91 VAL H H 91 7.459 8.547 -1.088 1
1 1137 . 4 1 1 A 91 91 VAL HA H 91 3.613 3.475 0.138 1
1 1145 . 4 1 1 A 91 91 VAL C C 91 177.080 178.134 -1.054 1
1 1146 . 4 1 1 A 91 91 VAL CA C 91 65.250 66.535 -1.285 1
1 1147 . 4 1 1 A 91 91 VAL CB C 91 31.970 31.510 0.460 1
1 1150 . 4 1 1 A 91 91 VAL N N 91 121.040 121.989 -0.949 1
1 1151 . 4 1 1 A 92 92 ALA H H 92 8.076 8.062 0.014 1
1 1152 . 4 1 1 A 92 92 ALA HA H 92 4.098 4.123 -0.025 1
1 1156 . 4 1 1 A 92 92 ALA C C 92 179.510 179.272 0.238 1
1 1157 . 4 1 1 A 92 92 ALA CA C 92 54.180 55.190 -1.010 1
1 1158 . 4 1 1 A 92 92 ALA CB C 92 18.660 18.243 0.417 1
1 1159 . 4 1 1 A 92 92 ALA N N 92 122.880 121.706 1.174 1
1 1160 . 4 1 1 A 93 93 LYS H H 93 7.946 7.941 0.005 1
1 1161 . 4 1 1 A 93 93 LYS HA H 93 4.136 3.352 0.784 1
1 1170 . 4 1 1 A 93 93 LYS C C 93 178.300 179.271 -0.971 1
1 1171 . 4 1 1 A 93 93 LYS CA C 93 58.000 59.714 -1.714 1
1 1172 . 4 1 1 A 93 93 LYS CB C 93 32.550 31.738 0.812 1
1 1176 . 4 1 1 A 93 93 LYS N N 93 118.800 117.785 1.015 1
1 1177 . 4 1 1 A 94 94 ILE H H 94 7.894 7.643 0.251 1
1 1178 . 4 1 1 A 94 94 ILE HA H 94 3.906 3.860 0.046 1
1 1188 . 4 1 1 A 94 94 ILE C C 94 177.720 178.027 -0.307 1
1 1189 . 4 1 1 A 94 94 ILE CA C 94 63.200 62.431 0.769 1
1 1190 . 4 1 1 A 94 94 ILE CB C 94 38.330 36.987 1.343 1
1 1194 . 4 1 1 A 94 94 ILE N N 94 120.760 117.963 2.797 1
1 1195 . 4 1 1 A 95 95 LYS H H 95 8.310 8.054 0.256 1
1 1196 . 4 1 1 A 95 95 LYS HA H 95 4.083 4.279 -0.196 1
1 1205 . 4 1 1 A 95 95 LYS C C 95 177.660 176.660 1.000 1
1 1206 . 4 1 1 A 95 95 LYS CA C 95 57.930 57.665 0.265 1
1 1207 . 4 1 1 A 95 95 LYS CB C 95 32.860 33.453 -0.593 1
1 1211 . 4 1 1 A 95 95 LYS N N 95 121.330 121.508 -0.178 1
1 1212 . 4 1 1 A 96 96 GLY H H 96 8.122 8.123 -0.001 1
1 1213 . 4 1 1 A 96 96 GLY HA2 H 96 3.999 4.070 -0.071 1
1 1214 . 4 1 1 A 96 96 GLY HA3 H 96 3.999 4.274 -0.275 1
1 1215 . 4 1 1 A 96 96 GLY C C 96 174.640 175.420 -0.780 1
1 1216 . 4 1 1 A 96 96 GLY CA C 96 45.660 45.492 0.168 1
1 1217 . 4 1 1 A 96 96 GLY N N 96 107.870 107.581 0.289 1
1 1218 . 4 1 1 A 97 97 THR H H 97 7.968 8.264 -0.296 1
1 1219 . 4 1 1 A 97 97 THR HA H 97 4.294 4.022 0.272 1
1 1224 . 4 1 1 A 97 97 THR C C 97 174.590 175.937 -1.347 1
1 1225 . 4 1 1 A 97 97 THR CA C 97 62.160 65.361 -3.201 1
1 1226 . 4 1 1 A 97 97 THR CB C 97 69.630 68.759 0.871 1
1 1228 . 4 1 1 A 97 97 THR N N 97 112.820 114.185 -1.365 1
1 1229 . 4 1 1 A 98 98 PHE H H 98 7.938 8.317 -0.379 1
1 1230 . 4 1 1 A 98 98 PHE HA H 98 4.552 4.314 0.238 1
1 1235 . 4 1 1 A 98 98 PHE C C 98 175.370 176.176 -0.806 1
1 1236 . 4 1 1 A 98 98 PHE CA C 98 58.150 60.000 -1.850 1
1 1237 . 4 1 1 A 98 98 PHE CB C 98 39.550 37.611 1.939 1
1 1239 . 4 1 1 A 98 98 PHE N N 98 122.400 119.949 2.451 1
1 1240 . 4 1 1 A 99 99 LYS H H 99 7.986 7.500 0.486 1
1 1241 . 4 1 1 A 99 99 LYS HA H 99 4.242 4.334 -0.092 1
1 1250 . 4 1 1 A 99 99 LYS C C 99 175.750 178.584 -2.834 1
1 1251 . 4 1 1 A 99 99 LYS CA C 99 56.030 56.782 -0.752 1
1 1252 . 4 1 1 A 99 99 LYS CB C 99 33.390 33.903 -0.513 1
1 1256 . 4 1 1 A 99 99 LYS N N 99 123.810 116.163 7.647 1
1 1257 . 4 1 1 A 100 100 GLU H H 100 8.247 8.091 0.156 1
1 1258 . 4 1 1 A 100 100 GLU HA H 100 4.202 4.065 0.137 1
1 1263 . 4 1 1 A 100 100 GLU C C 100 176.210 176.880 -0.670 1
1 1264 . 4 1 1 A 100 100 GLU CA C 100 56.270 58.535 -2.265 1
1 1265 . 4 1 1 A 100 100 GLU CB C 100 30.550 30.547 0.003 1
1 1267 . 4 1 1 A 100 100 GLU N N 100 122.270 119.893 2.377 1
1 1268 . 4 1 1 A 101 101 ARG H H 101 8.415 7.689 0.726 1
1 1269 . 4 1 1 A 101 101 ARG HA H 101 4.590 4.818 -0.228 1
1 1276 . 4 1 1 A 101 101 ARG CA C 101 53.980 53.685 0.295 1
1 1277 . 4 1 1 A 101 101 ARG CB C 101 30.070 30.886 -0.816 1
1 1280 . 4 1 1 A 101 101 ARG N N 101 123.970 117.927 6.043 1
1 1281 . 4 1 1 A 102 102 PRO HA H 102 4.421 4.566 -0.145 1
1 1288 . 4 1 1 A 102 102 PRO C C 102 176.700 176.472 0.228 1
1 1289 . 4 1 1 A 102 102 PRO CA C 102 63.090 64.184 -1.094 1
1 1290 . 4 1 1 A 102 102 PRO CB C 102 32.160 32.153 0.007 1
1 1293 . 4 1 1 A 103 103 LYS H H 103 8.445 7.616 0.829 1
1 1294 . 4 1 1 A 103 103 LYS HA H 103 4.294 4.762 -0.468 1
1 1303 . 4 1 1 A 103 103 LYS C C 103 175.690 175.009 0.681 1
1 1304 . 4 1 1 A 103 103 LYS CA C 103 56.380 55.606 0.774 1
1 1305 . 4 1 1 A 103 103 LYS CB C 103 33.150 35.510 -2.360 1
1 1309 . 4 1 1 A 103 103 LYS N N 103 122.480 116.453 6.027 1
1 1 . 5 1 1 A 2 2 GLU HA H 2 4.372 4.212 0.160 1
1 6 . 5 1 1 A 2 2 GLU C C 2 175.830 176.883 -1.053 1
1 7 . 5 1 1 A 2 2 GLU CA C 2 56.340 58.172 -1.832 1
1 8 . 5 1 1 A 2 2 GLU CB C 2 30.550 29.871 0.679 1
1 10 . 5 1 1 A 3 3 MET H H 3 8.529 7.591 0.938 1
1 11 . 5 1 1 A 3 3 MET HA H 3 4.534 4.628 -0.094 1
1 19 . 5 1 1 A 3 3 MET C C 3 175.350 175.802 -0.452 1
1 20 . 5 1 1 A 3 3 MET CA C 3 54.950 55.480 -0.530 1
1 21 . 5 1 1 A 3 3 MET CB C 3 33.150 33.913 -0.763 1
1 24 . 5 1 1 A 3 3 MET N N 3 122.340 119.048 3.292 1
1 25 . 5 1 1 A 4 4 LEU H H 4 8.265 8.646 -0.381 1
1 26 . 5 1 1 A 4 4 LEU HA H 4 4.579 4.961 -0.382 1
1 36 . 5 1 1 A 4 4 LEU CA C 4 52.620 50.836 1.784 1
1 37 . 5 1 1 A 4 4 LEU CB C 4 41.780 44.300 -2.520 1
1 41 . 5 1 1 A 4 4 LEU N N 4 125.280 117.167 8.113 1
1 42 . 5 1 1 A 5 5 PRO HA H 5 4.268 4.698 -0.430 1
1 49 . 5 1 1 A 5 5 PRO C C 5 175.390 175.025 0.365 1
1 50 . 5 1 1 A 5 5 PRO CA C 5 62.620 63.041 -0.421 1
1 51 . 5 1 1 A 5 5 PRO CB C 5 32.300 32.287 0.013 1
1 54 . 5 1 1 A 6 6 ASN H H 6 6.913 8.974 -2.061 1
1 55 . 5 1 1 A 6 6 ASN HA H 6 4.460 5.149 -0.689 1
1 60 . 5 1 1 A 6 6 ASN C C 6 172.390 175.164 -2.774 1
1 61 . 5 1 1 A 6 6 ASN CA C 6 52.920 52.436 0.484 1
1 62 . 5 1 1 A 6 6 ASN CB C 6 41.920 42.045 -0.125 1
1 63 . 5 1 1 A 6 6 ASN N N 6 117.610 120.218 -2.608 1
1 65 . 5 1 1 A 7 7 GLN H H 7 8.465 8.893 -0.428 1
1 66 . 5 1 1 A 7 7 GLN HA H 7 4.164 4.225 -0.061 1
1 73 . 5 1 1 A 7 7 GLN C C 7 175.020 175.592 -0.572 1
1 74 . 5 1 1 A 7 7 GLN CA C 7 58.100 57.835 0.265 1
1 75 . 5 1 1 A 7 7 GLN CB C 7 29.270 29.361 -0.091 1
1 77 . 5 1 1 A 7 7 GLN N N 7 116.430 122.382 -5.952 1
1 79 . 5 1 1 A 8 8 THR H H 8 8.374 7.726 0.648 1
1 80 . 5 1 1 A 8 8 THR HA H 8 5.399 5.552 -0.153 1
1 85 . 5 1 1 A 8 8 THR C C 8 173.700 174.174 -0.474 1
1 86 . 5 1 1 A 8 8 THR CA C 8 62.380 61.334 1.046 1
1 87 . 5 1 1 A 8 8 THR CB C 8 69.100 72.957 -3.857 1
1 89 . 5 1 1 A 8 8 THR N N 8 118.220 111.220 7.000 1
1 90 . 5 1 1 A 9 9 ILE H H 9 8.794 9.286 -0.492 1
1 91 . 5 1 1 A 9 9 ILE HA H 9 5.085 5.401 -0.316 1
1 101 . 5 1 1 A 9 9 ILE C C 9 173.490 173.984 -0.494 1
1 102 . 5 1 1 A 9 9 ILE CA C 9 59.000 59.374 -0.374 1
1 103 . 5 1 1 A 9 9 ILE CB C 9 39.710 42.285 -2.575 1
1 107 . 5 1 1 A 9 9 ILE N N 9 118.250 120.828 -2.578 1
1 108 . 5 1 1 A 10 10 TYR H H 10 9.384 9.336 0.048 1
1 109 . 5 1 1 A 10 10 TYR HA H 10 5.032 5.253 -0.221 1
1 116 . 5 1 1 A 10 10 TYR C C 10 173.920 173.601 0.319 1
1 117 . 5 1 1 A 10 10 TYR CA C 10 55.240 55.990 -0.750 1
1 118 . 5 1 1 A 10 10 TYR CB C 10 40.700 41.860 -1.160 1
1 123 . 5 1 1 A 10 10 TYR N N 10 124.310 124.932 -0.622 1
1 124 . 5 1 1 A 11 11 ILE H H 11 9.000 9.215 -0.215 1
1 125 . 5 1 1 A 11 11 ILE HA H 11 4.629 4.428 0.201 1
1 135 . 5 1 1 A 11 11 ILE C C 11 180.280 175.365 4.915 1
1 136 . 5 1 1 A 11 11 ILE CA C 11 60.050 59.794 0.256 1
1 137 . 5 1 1 A 11 11 ILE CB C 11 40.350 38.722 1.628 1
1 141 . 5 1 1 A 11 11 ILE N N 11 126.640 128.272 -1.632 1
1 142 . 5 1 1 A 12 12 ASN H H 12 8.844 9.119 -0.275 1
1 143 . 5 1 1 A 12 12 ASN HA H 12 5.267 4.823 0.444 1
1 148 . 5 1 1 A 12 12 ASN C C 12 174.640 174.813 -0.173 1
1 149 . 5 1 1 A 12 12 ASN CA C 12 50.860 52.701 -1.841 1
1 150 . 5 1 1 A 12 12 ASN CB C 12 41.400 39.563 1.837 1
1 151 . 5 1 1 A 12 12 ASN N N 12 123.520 124.652 -1.132 1
1 153 . 5 1 1 A 13 13 ASN H H 13 8.689 7.964 0.725 1
1 154 . 5 1 1 A 13 13 ASN HA H 13 4.456 4.925 -0.469 1
1 159 . 5 1 1 A 13 13 ASN C C 13 176.140 173.789 2.351 1
1 160 . 5 1 1 A 13 13 ASN CA C 13 53.920 52.025 1.895 1
1 161 . 5 1 1 A 13 13 ASN CB C 13 39.360 39.492 -0.132 1
1 162 . 5 1 1 A 13 13 ASN N N 13 115.910 118.339 -2.429 1
1 164 . 5 1 1 A 14 14 LEU H H 14 8.221 7.864 0.357 1
1 165 . 5 1 1 A 14 14 LEU HA H 14 4.350 4.304 0.046 1
1 175 . 5 1 1 A 14 14 LEU C C 14 177.880 176.214 1.666 1
1 176 . 5 1 1 A 14 14 LEU CA C 14 54.000 55.447 -1.447 1
1 177 . 5 1 1 A 14 14 LEU CB C 14 42.830 43.347 -0.517 1
1 181 . 5 1 1 A 14 14 LEU N N 14 116.310 124.360 -8.050 1
1 182 . 5 1 1 A 15 15 ASN H H 15 9.226 8.672 0.554 1
1 183 . 5 1 1 A 15 15 ASN HA H 15 4.225 4.842 -0.617 1
1 188 . 5 1 1 A 15 15 ASN C C 15 176.150 176.431 -0.281 1
1 189 . 5 1 1 A 15 15 ASN CA C 15 54.210 52.457 1.753 1
1 190 . 5 1 1 A 15 15 ASN CB C 15 38.050 38.462 -0.412 1
1 191 . 5 1 1 A 15 15 ASN N N 15 120.300 123.810 -3.510 1
1 193 . 5 1 1 A 16 16 GLU H H 16 9.234 8.801 0.433 1
1 194 . 5 1 1 A 16 16 GLU HA H 16 4.110 4.091 0.019 1
1 199 . 5 1 1 A 16 16 GLU C C 16 176.510 178.113 -1.603 1
1 200 . 5 1 1 A 16 16 GLU CA C 16 57.800 58.468 -0.668 1
1 201 . 5 1 1 A 16 16 GLU CB C 16 29.300 29.053 0.247 1
1 203 . 5 1 1 A 16 16 GLU N N 16 128.160 126.021 2.139 1
1 204 . 5 1 1 A 17 17 LYS H H 17 8.421 8.123 0.298 1
1 205 . 5 1 1 A 17 17 LYS HA H 17 4.170 4.098 0.072 1
1 214 . 5 1 1 A 17 17 LYS C C 17 176.700 176.802 -0.102 1
1 215 . 5 1 1 A 17 17 LYS CA C 17 56.750 58.612 -1.862 1
1 216 . 5 1 1 A 17 17 LYS CB C 17 32.370 31.914 0.456 1
1 220 . 5 1 1 A 17 17 LYS N N 17 118.450 118.375 0.075 1
1 221 . 5 1 1 A 18 18 ILE H H 18 6.751 7.363 -0.612 1
1 222 . 5 1 1 A 18 18 ILE HA H 18 3.830 3.865 -0.035 1
1 232 . 5 1 1 A 18 18 ILE C C 18 176.560 175.628 0.932 1
1 233 . 5 1 1 A 18 18 ILE CA C 18 58.640 61.402 -2.762 1
1 234 . 5 1 1 A 18 18 ILE CB C 18 35.940 37.785 -1.845 1
1 238 . 5 1 1 A 18 18 ILE N N 18 118.790 122.145 -3.355 1
1 239 . 5 1 1 A 19 19 LYS H H 19 8.815 8.471 0.344 1
1 240 . 5 1 1 A 19 19 LYS HA H 19 4.189 4.433 -0.244 1
1 249 . 5 1 1 A 19 19 LYS C C 19 178.340 177.536 0.804 1
1 250 . 5 1 1 A 19 19 LYS CA C 19 57.250 55.909 1.341 1
1 251 . 5 1 1 A 19 19 LYS CB C 19 32.800 33.289 -0.489 1
1 255 . 5 1 1 A 19 19 LYS N N 19 129.030 127.607 1.423 1
1 256 . 5 1 1 A 20 20 LYS H H 20 9.032 8.810 0.222 1
1 257 . 5 1 1 A 20 20 LYS HA H 20 3.854 3.879 -0.025 1
1 266 . 5 1 1 A 20 20 LYS C C 20 178.390 179.091 -0.701 1
1 267 . 5 1 1 A 20 20 LYS CA C 20 59.740 59.969 -0.229 1
1 268 . 5 1 1 A 20 20 LYS CB C 20 31.390 32.111 -0.721 1
1 272 . 5 1 1 A 20 20 LYS N N 20 123.440 119.878 3.562 1
1 273 . 5 1 1 A 21 21 GLU H H 21 9.341 8.058 1.283 1
1 274 . 5 1 1 A 21 21 GLU HA H 21 4.074 4.093 -0.019 1
1 279 . 5 1 1 A 21 21 GLU C C 21 179.120 179.292 -0.172 1
1 280 . 5 1 1 A 21 21 GLU CA C 21 60.270 59.310 0.960 1
1 281 . 5 1 1 A 21 21 GLU CB C 21 28.840 29.077 -0.237 1
1 283 . 5 1 1 A 21 21 GLU N N 21 117.890 119.809 -1.919 1
1 284 . 5 1 1 A 22 22 GLU H H 22 6.994 8.180 -1.186 1
1 285 . 5 1 1 A 22 22 GLU HA H 22 4.166 4.095 0.071 1
1 290 . 5 1 1 A 22 22 GLU C C 22 178.200 179.038 -0.838 1
1 291 . 5 1 1 A 22 22 GLU CA C 22 58.530 59.178 -0.648 1
1 292 . 5 1 1 A 22 22 GLU CB C 22 29.180 29.613 -0.433 1
1 294 . 5 1 1 A 22 22 GLU N N 22 119.810 120.327 -0.517 1
1 295 . 5 1 1 A 23 23 LEU H H 23 8.462 8.433 0.029 1
1 296 . 5 1 1 A 23 23 LEU HA H 23 3.981 4.143 -0.162 1
1 306 . 5 1 1 A 23 23 LEU C C 23 178.780 178.614 0.166 1
1 307 . 5 1 1 A 23 23 LEU CA C 23 58.840 58.368 0.472 1
1 308 . 5 1 1 A 23 23 LEU CB C 23 42.420 41.877 0.543 1
1 312 . 5 1 1 A 23 23 LEU N N 23 121.220 121.853 -0.633 1
1 313 . 5 1 1 A 24 24 LYS H H 24 8.411 8.224 0.187 1
1 314 . 5 1 1 A 24 24 LYS HA H 24 3.808 3.607 0.201 1
1 323 . 5 1 1 A 24 24 LYS C C 24 178.200 178.874 -0.674 1
1 324 . 5 1 1 A 24 24 LYS CA C 24 61.500 60.275 1.225 1
1 325 . 5 1 1 A 24 24 LYS CB C 24 32.500 32.235 0.265 1
1 329 . 5 1 1 A 24 24 LYS N N 24 116.620 118.451 -1.831 1
1 330 . 5 1 1 A 25 25 LYS H H 25 7.592 7.952 -0.360 1
1 331 . 5 1 1 A 25 25 LYS HA H 25 4.181 4.266 -0.085 1
1 340 . 5 1 1 A 25 25 LYS C C 25 180.280 179.130 1.150 1
1 341 . 5 1 1 A 25 25 LYS CA C 25 60.140 59.389 0.751 1
1 342 . 5 1 1 A 25 25 LYS CB C 25 32.690 32.269 0.421 1
1 346 . 5 1 1 A 25 25 LYS N N 25 118.830 120.405 -1.575 1
1 347 . 5 1 1 A 26 26 SER H H 26 8.845 8.419 0.426 1
1 348 . 5 1 1 A 26 26 SER HA H 26 4.570 4.311 0.259 1
1 351 . 5 1 1 A 26 26 SER C C 26 176.880 176.683 0.197 1
1 352 . 5 1 1 A 26 26 SER CA C 26 62.210 62.725 -0.515 1
1 353 . 5 1 1 A 26 26 SER CB C 26 63.320 63.205 0.115 1
1 354 . 5 1 1 A 26 26 SER N N 26 117.880 117.451 0.429 1
1 355 . 5 1 1 A 27 27 LEU H H 27 9.040 8.356 0.684 1
1 356 . 5 1 1 A 27 27 LEU HA H 27 4.190 3.992 0.198 1
1 366 . 5 1 1 A 27 27 LEU C C 27 179.100 178.748 0.352 1
1 367 . 5 1 1 A 27 27 LEU CA C 27 57.960 57.762 0.198 1
1 368 . 5 1 1 A 27 27 LEU CB C 27 43.030 41.796 1.234 1
1 372 . 5 1 1 A 27 27 LEU N N 27 122.840 120.983 1.857 1
1 373 . 5 1 1 A 28 28 TYR H H 28 8.535 8.118 0.417 1
1 374 . 5 1 1 A 28 28 TYR HA H 28 3.826 4.336 -0.510 1
1 379 . 5 1 1 A 28 28 TYR C C 28 178.360 178.162 0.198 1
1 380 . 5 1 1 A 28 28 TYR CA C 28 63.220 61.306 1.914 1
1 381 . 5 1 1 A 28 28 TYR CB C 28 38.320 37.455 0.865 1
1 384 . 5 1 1 A 28 28 TYR N N 28 121.030 118.441 2.589 1
1 385 . 5 1 1 A 29 29 ALA H H 29 8.009 8.204 -0.195 1
1 386 . 5 1 1 A 29 29 ALA HA H 29 3.364 4.209 -0.845 1
1 390 . 5 1 1 A 29 29 ALA CA C 29 55.420 54.892 0.528 1
1 391 . 5 1 1 A 29 29 ALA CB C 29 18.920 18.923 -0.003 1
1 392 . 5 1 1 A 29 29 ALA N N 29 120.570 122.276 -1.706 1
1 393 . 5 1 1 A 30 30 ILE HA H 30 4.048 4.410 -0.362 1
1 403 . 5 1 1 A 30 30 ILE C C 30 177.270 177.322 -0.052 1
1 404 . 5 1 1 A 30 30 ILE CA C 30 63.380 62.110 1.270 1
1 405 . 5 1 1 A 30 30 ILE CB C 30 38.850 39.286 -0.436 1
1 409 . 5 1 1 A 31 31 PHE H H 31 8.446 8.367 0.079 1
1 410 . 5 1 1 A 31 31 PHE HA H 31 4.900 3.626 1.274 1
1 415 . 5 1 1 A 31 31 PHE C C 31 177.820 177.934 -0.114 1
1 416 . 5 1 1 A 31 31 PHE CA C 31 62.380 59.835 2.545 1
1 417 . 5 1 1 A 31 31 PHE CB C 31 38.900 38.177 0.723 1
1 418 . 5 1 1 A 31 31 PHE N N 31 115.770 121.146 -5.376 1
1 419 . 5 1 1 A 32 32 SER H H 32 8.392 8.039 0.353 1
1 420 . 5 1 1 A 32 32 SER HA H 32 4.365 4.446 -0.081 1
1 423 . 5 1 1 A 32 32 SER C C 32 176.140 175.909 0.231 1
1 424 . 5 1 1 A 32 32 SER CA C 32 61.680 62.154 -0.474 1
1 425 . 5 1 1 A 32 32 SER CB C 32 62.460 63.321 -0.861 1
1 426 . 5 1 1 A 32 32 SER N N 32 116.890 115.622 1.268 1
1 427 . 5 1 1 A 33 33 GLN H H 33 7.310 7.735 -0.425 1
1 428 . 5 1 1 A 33 33 GLN HA H 33 4.059 4.112 -0.053 1
1 435 . 5 1 1 A 33 33 GLN C C 33 176.330 176.760 -0.430 1
1 436 . 5 1 1 A 33 33 GLN CA C 33 57.220 56.982 0.238 1
1 437 . 5 1 1 A 33 33 GLN CB C 33 28.040 28.191 -0.151 1
1 439 . 5 1 1 A 33 33 GLN N N 33 117.530 118.639 -1.109 1
1 441 . 5 1 1 A 34 34 PHE H H 34 7.626 7.044 0.582 1
1 442 . 5 1 1 A 34 34 PHE HA H 34 4.435 4.815 -0.380 1
1 447 . 5 1 1 A 34 34 PHE C C 34 175.590 175.070 0.520 1
1 448 . 5 1 1 A 34 34 PHE CA C 34 59.410 56.391 3.019 1
1 449 . 5 1 1 A 34 34 PHE CB C 34 39.380 39.971 -0.591 1
1 452 . 5 1 1 A 34 34 PHE N N 34 116.090 113.248 2.842 1
1 453 . 5 1 1 A 35 35 GLY H H 35 7.595 7.134 0.461 1
1 454 . 5 1 1 A 35 35 GLY HA2 H 35 3.960 4.065 -0.105 1
1 455 . 5 1 1 A 35 35 GLY HA3 H 35 4.612 4.086 0.526 1
1 456 . 5 1 1 A 35 35 GLY C C 35 170.890 172.876 -1.986 1
1 457 . 5 1 1 A 35 35 GLY CA C 35 44.160 45.819 -1.659 1
1 458 . 5 1 1 A 35 35 GLY N N 35 107.470 107.826 -0.356 1
1 459 . 5 1 1 A 36 36 GLN H H 36 8.404 8.707 -0.303 1
1 460 . 5 1 1 A 36 36 GLN HA H 36 4.275 4.343 -0.068 1
1 467 . 5 1 1 A 36 36 GLN C C 36 176.650 176.059 0.591 1
1 468 . 5 1 1 A 36 36 GLN CA C 36 57.180 56.460 0.720 1
1 469 . 5 1 1 A 36 36 GLN CB C 36 29.360 29.081 0.279 1
1 471 . 5 1 1 A 36 36 GLN N N 36 116.620 125.216 -8.596 1
1 473 . 5 1 1 A 37 37 ILE H H 37 9.009 8.859 0.150 1
1 474 . 5 1 1 A 37 37 ILE HA H 37 4.068 3.906 0.162 1
1 484 . 5 1 1 A 37 37 ILE C C 37 176.530 175.889 0.641 1
1 485 . 5 1 1 A 37 37 ILE CA C 37 61.270 61.882 -0.612 1
1 486 . 5 1 1 A 37 37 ILE CB C 37 40.600 37.967 2.633 1
1 490 . 5 1 1 A 37 37 ILE N N 37 129.370 127.463 1.907 1
1 491 . 5 1 1 A 38 38 LEU H H 38 9.472 9.370 0.102 1
1 492 . 5 1 1 A 38 38 LEU HA H 38 4.291 4.607 -0.316 1
1 502 . 5 1 1 A 38 38 LEU C C 38 176.900 175.400 1.500 1
1 503 . 5 1 1 A 38 38 LEU CA C 38 56.520 56.185 0.335 1
1 504 . 5 1 1 A 38 38 LEU CB C 38 42.030 44.656 -2.626 1
1 508 . 5 1 1 A 38 38 LEU N N 38 128.180 128.123 0.057 1
1 509 . 5 1 1 A 39 39 ASP H H 39 7.493 7.761 -0.268 1
1 510 . 5 1 1 A 39 39 ASP HA H 39 4.715 5.006 -0.291 1
1 513 . 5 1 1 A 39 39 ASP C C 39 173.560 173.663 -0.103 1
1 514 . 5 1 1 A 39 39 ASP CA C 39 53.510 53.465 0.045 1
1 515 . 5 1 1 A 39 39 ASP CB C 39 44.160 44.100 0.060 1
1 516 . 5 1 1 A 39 39 ASP N N 39 114.640 117.384 -2.744 1
1 517 . 5 1 1 A 40 40 ILE H H 40 8.537 8.525 0.012 1
1 518 . 5 1 1 A 40 40 ILE HA H 40 4.722 4.745 -0.023 1
1 528 . 5 1 1 A 40 40 ILE C C 40 174.090 174.900 -0.810 1
1 529 . 5 1 1 A 40 40 ILE CA C 40 61.060 60.027 1.033 1
1 530 . 5 1 1 A 40 40 ILE CB C 40 41.220 42.183 -0.963 1
1 534 . 5 1 1 A 40 40 ILE N N 40 119.670 122.006 -2.336 1
1 535 . 5 1 1 A 41 41 VAL H H 41 8.807 8.830 -0.023 1
1 536 . 5 1 1 A 41 41 VAL HA H 41 4.195 4.793 -0.598 1
1 544 . 5 1 1 A 41 41 VAL C C 41 174.470 174.776 -0.306 1
1 545 . 5 1 1 A 41 41 VAL CA C 41 61.020 61.517 -0.497 1
1 546 . 5 1 1 A 41 41 VAL CB C 41 34.160 34.300 -0.140 1
1 549 . 5 1 1 A 41 41 VAL N N 41 127.000 126.539 0.461 1
1 550 . 5 1 1 A 42 42 ALA H H 42 8.708 8.964 -0.256 1
1 551 . 5 1 1 A 42 42 ALA HA H 42 4.796 5.264 -0.468 1
1 555 . 5 1 1 A 42 42 ALA C C 42 175.210 175.465 -0.255 1
1 556 . 5 1 1 A 42 42 ALA CA C 42 51.430 50.297 1.133 1
1 557 . 5 1 1 A 42 42 ALA CB C 42 19.780 23.411 -3.631 1
1 558 . 5 1 1 A 42 42 ALA N N 42 130.100 129.006 1.094 1
1 559 . 5 1 1 A 43 43 LEU H H 43 8.224 8.957 -0.733 1
1 560 . 5 1 1 A 43 43 LEU HA H 43 4.575 4.880 -0.305 1
1 570 . 5 1 1 A 43 43 LEU CA C 43 54.620 53.462 1.158 1
1 571 . 5 1 1 A 43 43 LEU CB C 43 43.640 46.463 -2.823 1
1 575 . 5 1 1 A 43 43 LEU N N 43 122.270 121.091 1.179 1
1 576 . 5 1 1 A 44 44 LYS HA H 44 4.570 4.376 0.194 1
1 585 . 5 1 1 A 44 44 LYS CA C 44 56.000 56.423 -0.423 1
1 586 . 5 1 1 A 44 44 LYS CB C 44 32.940 32.681 0.259 1
1 590 . 5 1 1 A 45 45 THR H H 45 7.706 7.397 0.309 1
1 591 . 5 1 1 A 45 45 THR HA H 45 4.494 4.188 0.306 1
1 596 . 5 1 1 A 45 45 THR CA C 45 60.500 61.806 -1.306 1
1 597 . 5 1 1 A 45 45 THR CB C 45 70.450 70.022 0.428 1
1 599 . 5 1 1 A 45 45 THR N N 45 113.650 112.662 0.988 1
1 600 . 5 1 1 A 46 46 LEU HA H 46 4.142 4.044 0.098 1
1 610 . 5 1 1 A 46 46 LEU C C 46 179.030 177.840 1.190 1
1 611 . 5 1 1 A 46 46 LEU CA C 46 57.630 58.627 -0.997 1
1 612 . 5 1 1 A 46 46 LEU CB C 46 42.020 41.190 0.830 1
1 616 . 5 1 1 A 47 47 LYS H H 47 8.325 8.128 0.197 1
1 617 . 5 1 1 A 47 47 LYS HA H 47 4.139 4.118 0.021 1
1 626 . 5 1 1 A 47 47 LYS C C 47 176.700 177.743 -1.043 1
1 627 . 5 1 1 A 47 47 LYS CA C 47 57.800 58.902 -1.102 1
1 628 . 5 1 1 A 47 47 LYS CB C 47 32.440 32.215 0.225 1
1 632 . 5 1 1 A 47 47 LYS N N 47 116.870 119.344 -2.474 1
1 633 . 5 1 1 A 48 48 MET H H 48 7.649 7.728 -0.079 1
1 634 . 5 1 1 A 48 48 MET HA H 48 4.581 4.754 -0.173 1
1 642 . 5 1 1 A 48 48 MET C C 48 175.550 176.466 -0.916 1
1 643 . 5 1 1 A 48 48 MET CA C 48 54.970 54.681 0.289 1
1 644 . 5 1 1 A 48 48 MET CB C 48 32.770 33.286 -0.516 1
1 647 . 5 1 1 A 48 48 MET N N 48 116.090 116.912 -0.822 1
1 648 . 5 1 1 A 49 49 ARG H H 49 7.653 7.823 -0.170 1
1 649 . 5 1 1 A 49 49 ARG HA H 49 4.377 3.955 0.422 1
1 656 . 5 1 1 A 49 49 ARG C C 49 177.450 177.640 -0.190 1
1 657 . 5 1 1 A 49 49 ARG CA C 49 57.250 59.764 -2.514 1
1 658 . 5 1 1 A 49 49 ARG CB C 49 30.400 29.721 0.679 1
1 661 . 5 1 1 A 49 49 ARG N N 49 119.580 122.172 -2.592 1
1 662 . 5 1 1 A 50 50 GLY H H 50 9.177 7.873 1.304 1
1 663 . 5 1 1 A 50 50 GLY HA2 H 50 3.960 4.027 -0.067 1
1 664 . 5 1 1 A 50 50 GLY HA3 H 50 4.107 4.035 0.072 1
1 665 . 5 1 1 A 50 50 GLY C C 50 172.960 172.714 0.246 1
1 666 . 5 1 1 A 50 50 GLY CA C 50 46.140 45.641 0.499 1
1 667 . 5 1 1 A 50 50 GLY N N 50 111.640 105.825 5.815 1
1 668 . 5 1 1 A 51 51 GLN H H 51 7.853 7.630 0.223 1
1 669 . 5 1 1 A 51 51 GLN HA H 51 5.516 4.952 0.564 1
1 675 . 5 1 1 A 51 51 GLN C C 51 174.800 174.236 0.564 1
1 676 . 5 1 1 A 51 51 GLN CA C 51 54.160 53.944 0.216 1
1 677 . 5 1 1 A 51 51 GLN CB C 51 34.330 33.851 0.479 1
1 679 . 5 1 1 A 51 51 GLN N N 51 117.000 117.740 -0.740 1
1 681 . 5 1 1 A 52 52 ALA H H 52 8.765 8.243 0.522 1
1 682 . 5 1 1 A 52 52 ALA HA H 52 5.098 4.944 0.154 1
1 686 . 5 1 1 A 52 52 ALA C C 52 174.820 175.522 -0.702 1
1 687 . 5 1 1 A 52 52 ALA CA C 52 51.170 51.188 -0.018 1
1 688 . 5 1 1 A 52 52 ALA CB C 52 23.350 23.785 -0.435 1
1 689 . 5 1 1 A 52 52 ALA N N 52 121.050 121.560 -0.510 1
1 690 . 5 1 1 A 53 53 PHE H H 53 8.840 8.972 -0.132 1
1 691 . 5 1 1 A 53 53 PHE HA H 53 5.615 5.656 -0.041 1
1 696 . 5 1 1 A 53 53 PHE C C 53 174.870 174.510 0.360 1
1 697 . 5 1 1 A 53 53 PHE CA C 53 55.770 56.664 -0.894 1
1 698 . 5 1 1 A 53 53 PHE CB C 53 41.530 43.969 -2.439 1
1 701 . 5 1 1 A 53 53 PHE N N 53 115.860 116.866 -1.006 1
1 702 . 5 1 1 A 54 54 VAL H H 54 8.766 8.723 0.043 1
1 703 . 5 1 1 A 54 54 VAL HA H 54 4.169 4.672 -0.503 1
1 711 . 5 1 1 A 54 54 VAL C C 54 173.330 173.692 -0.362 1
1 712 . 5 1 1 A 54 54 VAL CA C 54 61.920 60.136 1.784 1
1 713 . 5 1 1 A 54 54 VAL CB C 54 32.860 35.440 -2.580 1
1 716 . 5 1 1 A 54 54 VAL N N 54 121.920 119.057 2.863 1
1 717 . 5 1 1 A 55 55 ILE H H 55 8.319 9.125 -0.806 1
1 718 . 5 1 1 A 55 55 ILE HA H 55 4.512 5.084 -0.572 1
1 728 . 5 1 1 A 55 55 ILE C C 55 173.920 174.667 -0.747 1
1 729 . 5 1 1 A 55 55 ILE CA C 55 60.880 60.153 0.727 1
1 730 . 5 1 1 A 55 55 ILE CB C 55 39.130 39.540 -0.410 1
1 734 . 5 1 1 A 55 55 ILE N N 55 126.350 128.374 -2.024 1
1 735 . 5 1 1 A 56 56 PHE H H 56 9.009 9.157 -0.148 1
1 736 . 5 1 1 A 56 56 PHE HA H 56 4.889 5.006 -0.117 1
1 741 . 5 1 1 A 56 56 PHE C C 56 175.180 176.399 -1.219 1
1 742 . 5 1 1 A 56 56 PHE CA C 56 59.030 56.693 2.337 1
1 743 . 5 1 1 A 56 56 PHE CB C 56 40.320 42.864 -2.544 1
1 744 . 5 1 1 A 56 56 PHE N N 56 126.440 125.541 0.899 1
1 745 . 5 1 1 A 57 57 LYS H H 57 8.191 8.934 -0.743 1
1 746 . 5 1 1 A 57 57 LYS HA H 57 3.969 4.157 -0.188 1
1 755 . 5 1 1 A 57 57 LYS C C 57 176.140 176.968 -0.828 1
1 756 . 5 1 1 A 57 57 LYS CA C 57 59.290 58.437 0.853 1
1 757 . 5 1 1 A 57 57 LYS CB C 57 33.850 32.835 1.015 1
1 761 . 5 1 1 A 57 57 LYS N N 57 119.130 121.331 -2.201 1
1 762 . 5 1 1 A 58 58 GLU H H 58 8.614 7.979 0.635 1
1 763 . 5 1 1 A 58 58 GLU HA H 58 4.850 4.796 0.054 1
1 768 . 5 1 1 A 58 58 GLU C C 58 177.130 176.820 0.310 1
1 769 . 5 1 1 A 58 58 GLU CA C 58 54.130 54.851 -0.721 1
1 770 . 5 1 1 A 58 58 GLU CB C 58 32.230 33.813 -1.583 1
1 772 . 5 1 1 A 58 58 GLU N N 58 114.350 115.866 -1.516 1
1 773 . 5 1 1 A 59 59 ILE H H 59 8.825 8.649 0.176 1
1 774 . 5 1 1 A 59 59 ILE HA H 59 3.499 3.809 -0.310 1
1 784 . 5 1 1 A 59 59 ILE C C 59 177.650 178.018 -0.368 1
1 785 . 5 1 1 A 59 59 ILE CA C 59 65.660 64.240 1.420 1
1 786 . 5 1 1 A 59 59 ILE CB C 59 38.040 37.706 0.334 1
1 790 . 5 1 1 A 59 59 ILE N N 59 122.940 123.076 -0.136 1
1 791 . 5 1 1 A 60 60 GLY H H 60 8.875 8.387 0.488 1
1 792 . 5 1 1 A 60 60 GLY HA2 H 60 3.780 3.802 -0.022 1
1 793 . 5 1 1 A 60 60 GLY HA3 H 60 3.925 3.816 0.109 1
1 794 . 5 1 1 A 60 60 GLY C C 60 176.700 176.315 0.385 1
1 795 . 5 1 1 A 60 60 GLY CA C 60 47.070 47.514 -0.444 1
1 796 . 5 1 1 A 60 60 GLY N N 60 106.980 111.097 -4.117 1
1 797 . 5 1 1 A 61 61 SER H H 61 6.973 7.975 -1.002 1
1 798 . 5 1 1 A 61 61 SER HA H 61 4.141 4.277 -0.136 1
1 801 . 5 1 1 A 61 61 SER C C 61 174.060 176.194 -2.134 1
1 802 . 5 1 1 A 61 61 SER CA C 61 61.870 62.521 -0.651 1
1 803 . 5 1 1 A 61 61 SER CB C 61 63.150 62.780 0.370 1
1 804 . 5 1 1 A 61 61 SER N N 61 116.200 119.328 -3.128 1
1 805 . 5 1 1 A 62 62 ALA H H 62 6.786 8.139 -1.353 1
1 806 . 5 1 1 A 62 62 ALA HA H 62 3.370 2.751 0.619 1
1 810 . 5 1 1 A 62 62 ALA C C 62 178.960 179.182 -0.222 1
1 811 . 5 1 1 A 62 62 ALA CA C 62 55.370 54.758 0.612 1
1 812 . 5 1 1 A 62 62 ALA CB C 62 19.030 18.485 0.545 1
1 813 . 5 1 1 A 62 62 ALA N N 62 123.660 123.675 -0.015 1
1 814 . 5 1 1 A 63 63 SER H H 63 8.379 8.048 0.331 1
1 815 . 5 1 1 A 63 63 SER HA H 63 4.551 4.140 0.411 1
1 818 . 5 1 1 A 63 63 SER C C 63 177.040 176.126 0.914 1
1 819 . 5 1 1 A 63 63 SER CA C 63 61.000 61.722 -0.722 1
1 820 . 5 1 1 A 63 63 SER CB C 63 63.090 62.828 0.262 1
1 821 . 5 1 1 A 63 63 SER N N 63 111.560 112.893 -1.333 1
1 822 . 5 1 1 A 64 64 ASN H H 64 7.737 8.317 -0.580 1
1 823 . 5 1 1 A 64 64 ASN HA H 64 4.434 4.382 0.052 1
1 828 . 5 1 1 A 64 64 ASN C C 64 177.490 177.109 0.381 1
1 829 . 5 1 1 A 64 64 ASN CA C 64 55.410 56.323 -0.913 1
1 830 . 5 1 1 A 64 64 ASN CB C 64 37.930 38.718 -0.788 1
1 831 . 5 1 1 A 64 64 ASN N N 64 120.200 120.560 -0.360 1
1 833 . 5 1 1 A 65 65 ALA H H 65 8.085 7.992 0.093 1
1 834 . 5 1 1 A 65 65 ALA HA H 65 4.864 4.289 0.575 1
1 838 . 5 1 1 A 65 65 ALA C C 65 178.180 179.713 -1.533 1
1 839 . 5 1 1 A 65 65 ALA CA C 65 54.700 55.151 -0.451 1
1 840 . 5 1 1 A 65 65 ALA CB C 65 19.950 18.060 1.890 1
1 841 . 5 1 1 A 65 65 ALA N N 65 125.150 121.882 3.268 1
1 842 . 5 1 1 A 66 66 LEU H H 66 8.083 8.103 -0.020 1
1 843 . 5 1 1 A 66 66 LEU HA H 66 3.560 4.117 -0.557 1
1 853 . 5 1 1 A 66 66 LEU C C 66 177.650 178.433 -0.783 1
1 854 . 5 1 1 A 66 66 LEU CA C 66 59.540 58.370 1.170 1
1 855 . 5 1 1 A 66 66 LEU CB C 66 42.020 41.635 0.385 1
1 859 . 5 1 1 A 66 66 LEU N N 66 118.670 119.610 -0.940 1
1 860 . 5 1 1 A 67 67 ARG H H 67 7.620 8.338 -0.718 1
1 861 . 5 1 1 A 67 67 ARG HA H 67 3.939 3.816 0.123 1
1 868 . 5 1 1 A 67 67 ARG C C 67 178.960 178.852 0.108 1
1 869 . 5 1 1 A 67 67 ARG CA C 67 58.860 59.507 -0.647 1
1 870 . 5 1 1 A 67 67 ARG CB C 67 30.570 29.721 0.849 1
1 873 . 5 1 1 A 67 67 ARG N N 67 114.570 119.232 -4.662 1
1 874 . 5 1 1 A 68 68 THR H H 68 7.850 8.250 -0.400 1
1 875 . 5 1 1 A 68 68 THR HA H 68 4.040 3.729 0.311 1
1 880 . 5 1 1 A 68 68 THR C C 68 175.960 175.146 0.814 1
1 881 . 5 1 1 A 68 68 THR CA C 68 66.160 66.172 -0.012 1
1 882 . 5 1 1 A 68 68 THR CB C 68 69.260 68.031 1.229 1
1 884 . 5 1 1 A 68 68 THR N N 68 112.630 116.607 -3.977 1
1 885 . 5 1 1 A 69 69 MET H H 69 7.934 7.744 0.190 1
1 886 . 5 1 1 A 69 69 MET HA H 69 4.734 4.421 0.313 1
1 894 . 5 1 1 A 69 69 MET C C 69 175.820 176.109 -0.289 1
1 895 . 5 1 1 A 69 69 MET CA C 69 53.560 54.441 -0.881 1
1 896 . 5 1 1 A 69 69 MET CB C 69 29.730 32.445 -2.715 1
1 899 . 5 1 1 A 69 69 MET N N 69 115.080 115.771 -0.691 1
1 900 . 5 1 1 A 70 70 GLN H H 70 7.003 7.605 -0.602 1
1 901 . 5 1 1 A 70 70 GLN HA H 70 4.043 3.970 0.073 1
1 908 . 5 1 1 A 70 70 GLN C C 70 178.020 177.340 0.680 1
1 909 . 5 1 1 A 70 70 GLN CA C 70 57.710 58.137 -0.427 1
1 910 . 5 1 1 A 70 70 GLN CB C 70 30.080 28.280 1.800 1
1 912 . 5 1 1 A 70 70 GLN N N 70 120.730 120.486 0.244 1
1 914 . 5 1 1 A 71 71 GLY H H 71 8.693 8.799 -0.106 1
1 915 . 5 1 1 A 71 71 GLY HA2 H 71 4.230 3.918 0.312 1
1 916 . 5 1 1 A 71 71 GLY HA3 H 71 3.817 3.921 -0.104 1
1 917 . 5 1 1 A 71 71 GLY C C 71 173.290 174.166 -0.876 1
1 918 . 5 1 1 A 71 71 GLY CA C 71 45.960 45.819 0.141 1
1 919 . 5 1 1 A 71 71 GLY N N 71 118.750 114.793 3.957 1
1 920 . 5 1 1 A 72 72 PHE H H 72 8.426 8.139 0.287 1
1 921 . 5 1 1 A 72 72 PHE HA H 72 4.641 4.536 0.105 1
1 926 . 5 1 1 A 72 72 PHE CA C 72 56.830 57.048 -0.218 1
1 927 . 5 1 1 A 72 72 PHE CB C 72 40.650 39.963 0.687 1
1 928 . 5 1 1 A 72 72 PHE N N 72 124.640 122.022 2.618 1
1 929 . 5 1 1 A 73 73 PRO HA H 73 4.052 4.708 -0.656 1
1 934 . 5 1 1 A 73 73 PRO C C 73 174.500 176.399 -1.899 1
1 935 . 5 1 1 A 73 73 PRO CA C 73 62.460 62.094 0.366 1
1 936 . 5 1 1 A 73 73 PRO CB C 73 30.700 28.869 1.831 1
1 939 . 5 1 1 A 74 74 PHE H H 74 8.382 8.611 -0.229 1
1 940 . 5 1 1 A 74 74 PHE HA H 74 4.235 4.271 -0.036 1
1 945 . 5 1 1 A 74 74 PHE C C 74 175.590 174.540 1.050 1
1 946 . 5 1 1 A 74 74 PHE CA C 74 56.440 61.808 -5.368 1
1 947 . 5 1 1 A 74 74 PHE CB C 74 42.540 39.833 2.707 1
1 950 . 5 1 1 A 74 74 PHE N N 74 128.220 123.535 4.685 1
1 951 . 5 1 1 A 75 75 TYR H H 75 9.185 7.847 1.338 1
1 952 . 5 1 1 A 75 75 TYR HA H 75 3.764 4.862 -1.098 1
1 957 . 5 1 1 A 75 75 TYR C C 75 175.210 175.252 -0.042 1
1 958 . 5 1 1 A 75 75 TYR CA C 75 60.780 57.034 3.746 1
1 959 . 5 1 1 A 75 75 TYR CB C 75 36.110 41.686 -5.576 1
1 962 . 5 1 1 A 75 75 TYR N N 75 128.090 115.193 12.897 1
1 963 . 5 1 1 A 76 76 ASP H H 76 8.306 8.995 -0.689 1
1 964 . 5 1 1 A 76 76 ASP HA H 76 4.075 4.701 -0.626 1
1 967 . 5 1 1 A 76 76 ASP C C 76 175.390 175.435 -0.045 1
1 968 . 5 1 1 A 76 76 ASP CA C 76 56.360 54.652 1.708 1
1 969 . 5 1 1 A 76 76 ASP CB C 76 40.510 40.615 -0.105 1
1 970 . 5 1 1 A 76 76 ASP N N 76 107.370 122.319 -14.949 1
1 971 . 5 1 1 A 77 77 LYS H H 77 7.687 7.747 -0.060 1
1 972 . 5 1 1 A 77 77 LYS HA H 77 5.020 4.793 0.227 1
1 981 . 5 1 1 A 77 77 LYS CA C 77 53.450 52.809 0.641 1
1 982 . 5 1 1 A 77 77 LYS CB C 77 34.800 34.315 0.485 1
1 986 . 5 1 1 A 77 77 LYS N N 77 118.880 119.294 -0.414 1
1 987 . 5 1 1 A 78 78 PRO HA H 78 4.240 4.642 -0.402 1
1 994 . 5 1 1 A 78 78 PRO C C 78 177.470 177.102 0.368 1
1 995 . 5 1 1 A 78 78 PRO CA C 78 62.310 62.733 -0.423 1
1 996 . 5 1 1 A 78 78 PRO CB C 78 31.690 32.186 -0.496 1
1 999 . 5 1 1 A 79 79 MET H H 79 8.696 8.629 0.067 1
1 1000 . 5 1 1 A 79 79 MET HA H 79 4.289 4.589 -0.300 1
1 1008 . 5 1 1 A 79 79 MET C C 79 175.960 176.266 -0.306 1
1 1009 . 5 1 1 A 79 79 MET CA C 79 58.600 56.614 1.986 1
1 1010 . 5 1 1 A 79 79 MET CB C 79 35.200 33.410 1.790 1
1 1013 . 5 1 1 A 79 79 MET N N 79 126.540 122.217 4.323 1
1 1014 . 5 1 1 A 80 80 GLN H H 80 7.779 8.586 -0.807 1
1 1015 . 5 1 1 A 80 80 GLN HA H 80 4.855 5.352 -0.497 1
1 1022 . 5 1 1 A 80 80 GLN C C 80 174.820 174.615 0.205 1
1 1023 . 5 1 1 A 80 80 GLN CA C 80 54.550 54.323 0.227 1
1 1024 . 5 1 1 A 80 80 GLN CB C 80 29.320 31.966 -2.646 1
1 1026 . 5 1 1 A 80 80 GLN N N 80 122.810 119.766 3.044 1
1 1028 . 5 1 1 A 81 81 ILE H H 81 9.682 8.929 0.753 1
1 1029 . 5 1 1 A 81 81 ILE HA H 81 5.010 4.977 0.033 1
1 1039 . 5 1 1 A 81 81 ILE C C 81 174.710 174.261 0.449 1
1 1040 . 5 1 1 A 81 81 ILE CA C 81 60.900 60.012 0.888 1
1 1041 . 5 1 1 A 81 81 ILE CB C 81 40.120 42.586 -2.466 1
1 1045 . 5 1 1 A 81 81 ILE N N 81 126.070 123.359 2.711 1
1 1046 . 5 1 1 A 82 82 ALA H H 82 9.039 8.496 0.543 1
1 1047 . 5 1 1 A 82 82 ALA HA H 82 4.620 5.155 -0.535 1
1 1051 . 5 1 1 A 82 82 ALA C C 82 176.700 175.641 1.059 1
1 1052 . 5 1 1 A 82 82 ALA CA C 82 50.890 50.816 0.074 1
1 1053 . 5 1 1 A 82 82 ALA CB C 82 23.420 23.485 -0.065 1
1 1054 . 5 1 1 A 82 82 ALA N N 82 130.310 125.609 4.701 1
1 1055 . 5 1 1 A 83 83 TYR H H 83 8.411 8.747 -0.336 1
1 1056 . 5 1 1 A 83 83 TYR HA H 83 4.905 4.713 0.192 1
1 1061 . 5 1 1 A 83 83 TYR C C 83 176.900 175.835 1.065 1
1 1062 . 5 1 1 A 83 83 TYR CA C 83 59.280 57.571 1.709 1
1 1063 . 5 1 1 A 83 83 TYR CB C 83 39.350 39.245 0.105 1
1 1065 . 5 1 1 A 83 83 TYR N N 83 118.580 119.301 -0.721 1
1 1066 . 5 1 1 A 84 84 SER H H 84 8.452 8.564 -0.112 1
1 1067 . 5 1 1 A 84 84 SER HA H 84 4.248 4.638 -0.390 1
1 1070 . 5 1 1 A 84 84 SER C C 84 174.220 174.468 -0.248 1
1 1071 . 5 1 1 A 84 84 SER CA C 84 58.560 59.365 -0.805 1
1 1072 . 5 1 1 A 84 84 SER CB C 84 64.100 64.134 -0.034 1
1 1073 . 5 1 1 A 84 84 SER N N 84 115.040 119.425 -4.385 1
1 1074 . 5 1 1 A 85 85 LYS H H 85 8.443 8.748 -0.305 1
1 1075 . 5 1 1 A 85 85 LYS HA H 85 4.275 4.895 -0.620 1
1 1080 . 5 1 1 A 85 85 LYS C C 85 177.080 176.435 0.645 1
1 1081 . 5 1 1 A 85 85 LYS CA C 85 56.960 54.263 2.697 1
1 1082 . 5 1 1 A 85 85 LYS CB C 85 33.150 36.524 -3.374 1
1 1086 . 5 1 1 A 85 85 LYS N N 85 123.610 122.256 1.354 1
1 1087 . 5 1 1 A 86 86 SER H H 86 8.204 8.504 -0.300 1
1 1088 . 5 1 1 A 86 86 SER HA H 86 4.335 4.388 -0.053 1
1 1090 . 5 1 1 A 86 86 SER C C 86 174.080 174.253 -0.173 1
1 1091 . 5 1 1 A 86 86 SER CA C 86 58.400 60.012 -1.612 1
1 1092 . 5 1 1 A 86 86 SER CB C 86 63.750 63.542 0.208 1
1 1093 . 5 1 1 A 86 86 SER N N 86 115.780 116.505 -0.725 1
1 1094 . 5 1 1 A 87 87 ASP H H 87 8.435 8.643 -0.208 1
1 1095 . 5 1 1 A 87 87 ASP HA H 87 4.578 4.978 -0.400 1
1 1098 . 5 1 1 A 87 87 ASP C C 87 176.630 175.977 0.653 1
1 1099 . 5 1 1 A 87 87 ASP CA C 87 54.260 53.855 0.405 1
1 1100 . 5 1 1 A 87 87 ASP CB C 87 40.780 43.666 -2.886 1
1 1101 . 5 1 1 A 87 87 ASP N N 87 121.910 124.927 -3.017 1
1 1102 . 5 1 1 A 88 88 SER H H 88 8.061 9.090 -1.029 1
1 1103 . 5 1 1 A 88 88 SER HA H 88 4.328 4.152 0.176 1
1 1106 . 5 1 1 A 88 88 SER C C 88 174.840 175.717 -0.877 1
1 1107 . 5 1 1 A 88 88 SER CA C 88 58.800 61.129 -2.329 1
1 1108 . 5 1 1 A 88 88 SER CB C 88 63.870 62.794 1.076 1
1 1109 . 5 1 1 A 88 88 SER N N 88 116.440 121.006 -4.566 1
1 1110 . 5 1 1 A 89 89 ASP H H 89 8.556 8.157 0.399 1
1 1111 . 5 1 1 A 89 89 ASP HA H 89 4.460 4.481 -0.021 1
1 1114 . 5 1 1 A 89 89 ASP C C 89 177.450 178.313 -0.863 1
1 1115 . 5 1 1 A 89 89 ASP CA C 89 56.110 57.015 -0.905 1
1 1116 . 5 1 1 A 89 89 ASP CB C 89 40.500 41.310 -0.810 1
1 1117 . 5 1 1 A 89 89 ASP N N 89 123.080 121.137 1.943 1
1 1118 . 5 1 1 A 90 90 ILE H H 90 7.756 7.447 0.309 1
1 1119 . 5 1 1 A 90 90 ILE HA H 90 3.829 3.731 0.098 1
1 1129 . 5 1 1 A 90 90 ILE C C 90 177.060 178.045 -0.985 1
1 1130 . 5 1 1 A 90 90 ILE CA C 90 63.070 64.498 -1.428 1
1 1131 . 5 1 1 A 90 90 ILE CB C 90 38.290 36.957 1.333 1
1 1135 . 5 1 1 A 90 90 ILE N N 90 119.250 118.123 1.127 1
1 1136 . 5 1 1 A 91 91 VAL H H 91 7.459 8.506 -1.047 1
1 1137 . 5 1 1 A 91 91 VAL HA H 91 3.613 3.442 0.171 1
1 1145 . 5 1 1 A 91 91 VAL C C 91 177.080 178.000 -0.920 1
1 1146 . 5 1 1 A 91 91 VAL CA C 91 65.250 66.479 -1.229 1
1 1147 . 5 1 1 A 91 91 VAL CB C 91 31.970 31.610 0.360 1
1 1150 . 5 1 1 A 91 91 VAL N N 91 121.040 121.585 -0.545 1
1 1151 . 5 1 1 A 92 92 ALA H H 92 8.076 7.576 0.500 1
1 1152 . 5 1 1 A 92 92 ALA HA H 92 4.098 3.859 0.239 1
1 1156 . 5 1 1 A 92 92 ALA C C 92 179.510 178.881 0.629 1
1 1157 . 5 1 1 A 92 92 ALA CA C 92 54.180 55.373 -1.193 1
1 1158 . 5 1 1 A 92 92 ALA CB C 92 18.660 18.066 0.594 1
1 1159 . 5 1 1 A 92 92 ALA N N 92 122.880 121.734 1.146 1
1 1160 . 5 1 1 A 93 93 LYS H H 93 7.946 7.939 0.007 1
1 1161 . 5 1 1 A 93 93 LYS HA H 93 4.136 3.229 0.907 1
1 1170 . 5 1 1 A 93 93 LYS C C 93 178.300 178.903 -0.603 1
1 1171 . 5 1 1 A 93 93 LYS CA C 93 58.000 59.673 -1.673 1
1 1172 . 5 1 1 A 93 93 LYS CB C 93 32.550 31.917 0.633 1
1 1176 . 5 1 1 A 93 93 LYS N N 93 118.800 117.883 0.917 1
1 1177 . 5 1 1 A 94 94 ILE H H 94 7.894 7.493 0.401 1
1 1178 . 5 1 1 A 94 94 ILE HA H 94 3.906 3.817 0.089 1
1 1188 . 5 1 1 A 94 94 ILE C C 94 177.720 177.785 -0.065 1
1 1189 . 5 1 1 A 94 94 ILE CA C 94 63.200 62.504 0.696 1
1 1190 . 5 1 1 A 94 94 ILE CB C 94 38.330 36.876 1.454 1
1 1194 . 5 1 1 A 94 94 ILE N N 94 120.760 117.755 3.005 1
1 1195 . 5 1 1 A 95 95 LYS H H 95 8.310 7.735 0.575 1
1 1196 . 5 1 1 A 95 95 LYS HA H 95 4.083 4.002 0.081 1
1 1205 . 5 1 1 A 95 95 LYS C C 95 177.660 176.442 1.218 1
1 1206 . 5 1 1 A 95 95 LYS CA C 95 57.930 58.892 -0.962 1
1 1207 . 5 1 1 A 95 95 LYS CB C 95 32.860 32.931 -0.071 1
1 1211 . 5 1 1 A 95 95 LYS N N 95 121.330 121.783 -0.453 1
1 1212 . 5 1 1 A 96 96 GLY H H 96 8.122 7.894 0.228 1
1 1213 . 5 1 1 A 96 96 GLY HA2 H 96 3.999 3.932 0.067 1
1 1214 . 5 1 1 A 96 96 GLY HA3 H 96 3.999 3.973 0.026 1
1 1215 . 5 1 1 A 96 96 GLY C C 96 174.640 173.643 0.997 1
1 1216 . 5 1 1 A 96 96 GLY CA C 96 45.660 45.259 0.401 1
1 1217 . 5 1 1 A 96 96 GLY N N 96 107.870 107.246 0.624 1
1 1218 . 5 1 1 A 97 97 THR H H 97 7.968 7.517 0.451 1
1 1219 . 5 1 1 A 97 97 THR HA H 97 4.294 4.639 -0.345 1
1 1224 . 5 1 1 A 97 97 THR C C 97 174.590 174.377 0.213 1
1 1225 . 5 1 1 A 97 97 THR CA C 97 62.160 61.500 0.660 1
1 1226 . 5 1 1 A 97 97 THR CB C 97 69.630 70.977 -1.347 1
1 1228 . 5 1 1 A 97 97 THR N N 97 112.820 115.241 -2.421 1
1 1229 . 5 1 1 A 98 98 PHE H H 98 7.938 8.827 -0.889 1
1 1230 . 5 1 1 A 98 98 PHE HA H 98 4.552 4.169 0.383 1
1 1235 . 5 1 1 A 98 98 PHE C C 98 175.370 178.056 -2.686 1
1 1236 . 5 1 1 A 98 98 PHE CA C 98 58.150 60.820 -2.670 1
1 1237 . 5 1 1 A 98 98 PHE CB C 98 39.550 38.534 1.016 1
1 1239 . 5 1 1 A 98 98 PHE N N 98 122.400 125.092 -2.692 1
1 1240 . 5 1 1 A 99 99 LYS H H 99 7.986 8.075 -0.089 1
1 1241 . 5 1 1 A 99 99 LYS HA H 99 4.242 4.085 0.157 1
1 1250 . 5 1 1 A 99 99 LYS C C 99 175.750 177.405 -1.655 1
1 1251 . 5 1 1 A 99 99 LYS CA C 99 56.030 59.628 -3.598 1
1 1252 . 5 1 1 A 99 99 LYS CB C 99 33.390 32.008 1.382 1
1 1256 . 5 1 1 A 99 99 LYS N N 99 123.810 120.065 3.745 1
1 1257 . 5 1 1 A 100 100 GLU H H 100 8.247 7.697 0.550 1
1 1258 . 5 1 1 A 100 100 GLU HA H 100 4.202 4.471 -0.269 1
1 1263 . 5 1 1 A 100 100 GLU C C 100 176.210 176.367 -0.157 1
1 1264 . 5 1 1 A 100 100 GLU CA C 100 56.270 56.267 0.003 1
1 1265 . 5 1 1 A 100 100 GLU CB C 100 30.550 30.561 -0.011 1
1 1267 . 5 1 1 A 100 100 GLU N N 100 122.270 119.413 2.857 1
1 1268 . 5 1 1 A 101 101 ARG H H 101 8.415 8.642 -0.227 1
1 1269 . 5 1 1 A 101 101 ARG HA H 101 4.590 4.316 0.274 1
1 1276 . 5 1 1 A 101 101 ARG CA C 101 53.980 54.744 -0.764 1
1 1277 . 5 1 1 A 101 101 ARG CB C 101 30.070 29.949 0.121 1
1 1280 . 5 1 1 A 101 101 ARG N N 101 123.970 127.369 -3.399 1
1 1281 . 5 1 1 A 102 102 PRO HA H 102 4.421 4.322 0.099 1
1 1288 . 5 1 1 A 102 102 PRO C C 102 176.700 177.277 -0.577 1
1 1289 . 5 1 1 A 102 102 PRO CA C 102 63.090 65.540 -2.450 1
1 1290 . 5 1 1 A 102 102 PRO CB C 102 32.160 31.814 0.346 1
1 1293 . 5 1 1 A 103 103 LYS H H 103 8.445 7.961 0.484 1
1 1294 . 5 1 1 A 103 103 LYS HA H 103 4.294 4.616 -0.322 1
1 1303 . 5 1 1 A 103 103 LYS C C 103 175.690 176.258 -0.568 1
1 1304 . 5 1 1 A 103 103 LYS CA C 103 56.380 55.127 1.253 1
1 1305 . 5 1 1 A 103 103 LYS CB C 103 33.150 33.385 -0.235 1
1 1309 . 5 1 1 A 103 103 LYS N N 103 122.480 116.750 5.730 1
1 1 . 6 1 1 A 2 2 GLU HA H 2 4.372 5.064 -0.692 1
1 6 . 6 1 1 A 2 2 GLU C C 2 175.830 174.888 0.942 1
1 7 . 6 1 1 A 2 2 GLU CA C 2 56.340 54.669 1.671 1
1 8 . 6 1 1 A 2 2 GLU CB C 2 30.550 33.644 -3.094 1
1 10 . 6 1 1 A 3 3 MET H H 3 8.529 8.747 -0.218 1
1 11 . 6 1 1 A 3 3 MET HA H 3 4.534 4.921 -0.387 1
1 19 . 6 1 1 A 3 3 MET C C 3 175.350 176.517 -1.167 1
1 20 . 6 1 1 A 3 3 MET CA C 3 54.950 54.440 0.510 1
1 21 . 6 1 1 A 3 3 MET CB C 3 33.150 32.085 1.065 1
1 24 . 6 1 1 A 3 3 MET N N 3 122.340 122.620 -0.280 1
1 25 . 6 1 1 A 4 4 LEU H H 4 8.265 8.594 -0.329 1
1 26 . 6 1 1 A 4 4 LEU HA H 4 4.579 4.366 0.213 1
1 36 . 6 1 1 A 4 4 LEU CA C 4 52.620 53.543 -0.923 1
1 37 . 6 1 1 A 4 4 LEU CB C 4 41.780 41.081 0.699 1
1 41 . 6 1 1 A 4 4 LEU N N 4 125.280 125.561 -0.281 1
1 42 . 6 1 1 A 5 5 PRO HA H 5 4.268 4.624 -0.356 1
1 49 . 6 1 1 A 5 5 PRO C C 5 175.390 175.174 0.216 1
1 50 . 6 1 1 A 5 5 PRO CA C 5 62.620 63.062 -0.442 1
1 51 . 6 1 1 A 5 5 PRO CB C 5 32.300 32.241 0.059 1
1 54 . 6 1 1 A 6 6 ASN H H 6 6.913 8.971 -2.058 1
1 55 . 6 1 1 A 6 6 ASN HA H 6 4.460 5.126 -0.666 1
1 60 . 6 1 1 A 6 6 ASN C C 6 172.390 174.952 -2.562 1
1 61 . 6 1 1 A 6 6 ASN CA C 6 52.920 52.402 0.518 1
1 62 . 6 1 1 A 6 6 ASN CB C 6 41.920 42.084 -0.164 1
1 63 . 6 1 1 A 6 6 ASN N N 6 117.610 120.550 -2.940 1
1 65 . 6 1 1 A 7 7 GLN H H 7 8.465 8.797 -0.332 1
1 66 . 6 1 1 A 7 7 GLN HA H 7 4.164 4.278 -0.114 1
1 73 . 6 1 1 A 7 7 GLN C C 7 175.020 175.345 -0.325 1
1 74 . 6 1 1 A 7 7 GLN CA C 7 58.100 57.470 0.630 1
1 75 . 6 1 1 A 7 7 GLN CB C 7 29.270 29.246 0.024 1
1 77 . 6 1 1 A 7 7 GLN N N 7 116.430 122.129 -5.699 1
1 79 . 6 1 1 A 8 8 THR H H 8 8.374 7.663 0.711 1
1 80 . 6 1 1 A 8 8 THR HA H 8 5.399 5.481 -0.082 1
1 85 . 6 1 1 A 8 8 THR C C 8 173.700 174.225 -0.525 1
1 86 . 6 1 1 A 8 8 THR CA C 8 62.380 61.184 1.196 1
1 87 . 6 1 1 A 8 8 THR CB C 8 69.100 72.996 -3.896 1
1 89 . 6 1 1 A 8 8 THR N N 8 118.220 112.194 6.026 1
1 90 . 6 1 1 A 9 9 ILE H H 9 8.794 9.385 -0.591 1
1 91 . 6 1 1 A 9 9 ILE HA H 9 5.085 5.316 -0.231 1
1 101 . 6 1 1 A 9 9 ILE C C 9 173.490 173.949 -0.459 1
1 102 . 6 1 1 A 9 9 ILE CA C 9 59.000 59.351 -0.351 1
1 103 . 6 1 1 A 9 9 ILE CB C 9 39.710 42.073 -2.363 1
1 107 . 6 1 1 A 9 9 ILE N N 9 118.250 121.216 -2.966 1
1 108 . 6 1 1 A 10 10 TYR H H 10 9.384 9.359 0.025 1
1 109 . 6 1 1 A 10 10 TYR HA H 10 5.032 5.361 -0.329 1
1 116 . 6 1 1 A 10 10 TYR C C 10 173.920 173.784 0.136 1
1 117 . 6 1 1 A 10 10 TYR CA C 10 55.240 55.514 -0.274 1
1 118 . 6 1 1 A 10 10 TYR CB C 10 40.700 41.560 -0.860 1
1 123 . 6 1 1 A 10 10 TYR N N 10 124.310 125.029 -0.719 1
1 124 . 6 1 1 A 11 11 ILE H H 11 9.000 9.103 -0.103 1
1 125 . 6 1 1 A 11 11 ILE HA H 11 4.629 4.748 -0.119 1
1 135 . 6 1 1 A 11 11 ILE C C 11 180.280 174.798 5.482 1
1 136 . 6 1 1 A 11 11 ILE CA C 11 60.050 59.782 0.268 1
1 137 . 6 1 1 A 11 11 ILE CB C 11 40.350 39.902 0.448 1
1 141 . 6 1 1 A 11 11 ILE N N 11 126.640 129.161 -2.521 1
1 142 . 6 1 1 A 12 12 ASN H H 12 8.844 8.880 -0.036 1
1 143 . 6 1 1 A 12 12 ASN HA H 12 5.267 4.959 0.308 1
1 148 . 6 1 1 A 12 12 ASN C C 12 174.640 175.013 -0.373 1
1 149 . 6 1 1 A 12 12 ASN CA C 12 50.860 51.117 -0.257 1
1 150 . 6 1 1 A 12 12 ASN CB C 12 41.400 41.924 -0.524 1
1 151 . 6 1 1 A 12 12 ASN N N 12 123.520 124.170 -0.650 1
1 153 . 6 1 1 A 13 13 ASN H H 13 8.689 8.860 -0.171 1
1 154 . 6 1 1 A 13 13 ASN HA H 13 4.456 4.286 0.170 1
1 159 . 6 1 1 A 13 13 ASN C C 13 176.140 175.238 0.902 1
1 160 . 6 1 1 A 13 13 ASN CA C 13 53.920 54.136 -0.216 1
1 161 . 6 1 1 A 13 13 ASN CB C 13 39.360 37.881 1.479 1
1 162 . 6 1 1 A 13 13 ASN N N 13 115.910 120.067 -4.157 1
1 164 . 6 1 1 A 14 14 LEU H H 14 8.221 8.209 0.012 1
1 165 . 6 1 1 A 14 14 LEU HA H 14 4.350 4.266 0.084 1
1 175 . 6 1 1 A 14 14 LEU C C 14 177.880 175.841 2.039 1
1 176 . 6 1 1 A 14 14 LEU CA C 14 54.000 55.312 -1.312 1
1 177 . 6 1 1 A 14 14 LEU CB C 14 42.830 42.967 -0.137 1
1 181 . 6 1 1 A 14 14 LEU N N 14 116.310 120.115 -3.805 1
1 182 . 6 1 1 A 15 15 ASN H H 15 9.226 8.743 0.483 1
1 183 . 6 1 1 A 15 15 ASN HA H 15 4.225 4.816 -0.591 1
1 188 . 6 1 1 A 15 15 ASN C C 15 176.150 176.810 -0.660 1
1 189 . 6 1 1 A 15 15 ASN CA C 15 54.210 53.237 0.973 1
1 190 . 6 1 1 A 15 15 ASN CB C 15 38.050 39.339 -1.289 1
1 191 . 6 1 1 A 15 15 ASN N N 15 120.300 124.495 -4.195 1
1 193 . 6 1 1 A 16 16 GLU H H 16 9.234 8.757 0.477 1
1 194 . 6 1 1 A 16 16 GLU HA H 16 4.110 4.053 0.057 1
1 199 . 6 1 1 A 16 16 GLU C C 16 176.510 177.893 -1.383 1
1 200 . 6 1 1 A 16 16 GLU CA C 16 57.800 58.484 -0.684 1
1 201 . 6 1 1 A 16 16 GLU CB C 16 29.300 29.029 0.271 1
1 203 . 6 1 1 A 16 16 GLU N N 16 128.160 125.953 2.207 1
1 204 . 6 1 1 A 17 17 LYS H H 17 8.421 8.299 0.122 1
1 205 . 6 1 1 A 17 17 LYS HA H 17 4.170 4.119 0.051 1
1 214 . 6 1 1 A 17 17 LYS C C 17 176.700 176.766 -0.066 1
1 215 . 6 1 1 A 17 17 LYS CA C 17 56.750 58.721 -1.971 1
1 216 . 6 1 1 A 17 17 LYS CB C 17 32.370 31.932 0.438 1
1 220 . 6 1 1 A 17 17 LYS N N 17 118.450 118.473 -0.023 1
1 221 . 6 1 1 A 18 18 ILE H H 18 6.751 7.410 -0.659 1
1 222 . 6 1 1 A 18 18 ILE HA H 18 3.830 3.918 -0.088 1
1 232 . 6 1 1 A 18 18 ILE C C 18 176.560 175.270 1.290 1
1 233 . 6 1 1 A 18 18 ILE CA C 18 58.640 61.322 -2.682 1
1 234 . 6 1 1 A 18 18 ILE CB C 18 35.940 37.672 -1.732 1
1 238 . 6 1 1 A 18 18 ILE N N 18 118.790 121.686 -2.896 1
1 239 . 6 1 1 A 19 19 LYS H H 19 8.815 8.692 0.123 1
1 240 . 6 1 1 A 19 19 LYS HA H 19 4.189 4.474 -0.285 1
1 249 . 6 1 1 A 19 19 LYS C C 19 178.340 176.517 1.823 1
1 250 . 6 1 1 A 19 19 LYS CA C 19 57.250 55.383 1.867 1
1 251 . 6 1 1 A 19 19 LYS CB C 19 32.800 33.252 -0.452 1
1 255 . 6 1 1 A 19 19 LYS N N 19 129.030 127.772 1.258 1
1 256 . 6 1 1 A 20 20 LYS H H 20 9.032 8.998 0.034 1
1 257 . 6 1 1 A 20 20 LYS HA H 20 3.854 3.877 -0.023 1
1 266 . 6 1 1 A 20 20 LYS C C 20 178.390 177.877 0.513 1
1 267 . 6 1 1 A 20 20 LYS CA C 20 59.740 60.354 -0.614 1
1 268 . 6 1 1 A 20 20 LYS CB C 20 31.390 32.023 -0.633 1
1 272 . 6 1 1 A 20 20 LYS N N 20 123.440 120.119 3.321 1
1 273 . 6 1 1 A 21 21 GLU H H 21 9.341 8.125 1.216 1
1 274 . 6 1 1 A 21 21 GLU HA H 21 4.074 4.062 0.012 1
1 279 . 6 1 1 A 21 21 GLU C C 21 179.120 179.308 -0.188 1
1 280 . 6 1 1 A 21 21 GLU CA C 21 60.270 59.442 0.828 1
1 281 . 6 1 1 A 21 21 GLU CB C 21 28.840 28.959 -0.119 1
1 283 . 6 1 1 A 21 21 GLU N N 21 117.890 118.486 -0.596 1
1 284 . 6 1 1 A 22 22 GLU H H 22 6.994 8.157 -1.163 1
1 285 . 6 1 1 A 22 22 GLU HA H 22 4.166 4.096 0.070 1
1 290 . 6 1 1 A 22 22 GLU C C 22 178.200 179.112 -0.912 1
1 291 . 6 1 1 A 22 22 GLU CA C 22 58.530 59.171 -0.641 1
1 292 . 6 1 1 A 22 22 GLU CB C 22 29.180 29.694 -0.514 1
1 294 . 6 1 1 A 22 22 GLU N N 22 119.810 120.278 -0.468 1
1 295 . 6 1 1 A 23 23 LEU H H 23 8.462 8.439 0.023 1
1 296 . 6 1 1 A 23 23 LEU HA H 23 3.981 4.213 -0.232 1
1 306 . 6 1 1 A 23 23 LEU C C 23 178.780 178.638 0.142 1
1 307 . 6 1 1 A 23 23 LEU CA C 23 58.840 58.295 0.545 1
1 308 . 6 1 1 A 23 23 LEU CB C 23 42.420 42.020 0.400 1
1 312 . 6 1 1 A 23 23 LEU N N 23 121.220 121.520 -0.300 1
1 313 . 6 1 1 A 24 24 LYS H H 24 8.411 8.405 0.006 1
1 314 . 6 1 1 A 24 24 LYS HA H 24 3.808 3.887 -0.079 1
1 323 . 6 1 1 A 24 24 LYS C C 24 178.200 178.919 -0.719 1
1 324 . 6 1 1 A 24 24 LYS CA C 24 61.500 60.398 1.102 1
1 325 . 6 1 1 A 24 24 LYS CB C 24 32.500 32.291 0.209 1
1 329 . 6 1 1 A 24 24 LYS N N 24 116.620 118.890 -2.270 1
1 330 . 6 1 1 A 25 25 LYS H H 25 7.592 8.008 -0.416 1
1 331 . 6 1 1 A 25 25 LYS HA H 25 4.181 4.121 0.060 1
1 340 . 6 1 1 A 25 25 LYS C C 25 180.280 179.101 1.179 1
1 341 . 6 1 1 A 25 25 LYS CA C 25 60.140 59.492 0.648 1
1 342 . 6 1 1 A 25 25 LYS CB C 25 32.690 32.269 0.421 1
1 346 . 6 1 1 A 25 25 LYS N N 25 118.830 120.799 -1.969 1
1 347 . 6 1 1 A 26 26 SER H H 26 8.845 8.519 0.326 1
1 348 . 6 1 1 A 26 26 SER HA H 26 4.570 4.177 0.393 1
1 351 . 6 1 1 A 26 26 SER C C 26 176.880 176.312 0.568 1
1 352 . 6 1 1 A 26 26 SER CA C 26 62.210 62.462 -0.252 1
1 353 . 6 1 1 A 26 26 SER CB C 26 63.320 63.217 0.103 1
1 354 . 6 1 1 A 26 26 SER N N 26 117.880 117.245 0.635 1
1 355 . 6 1 1 A 27 27 LEU H H 27 9.040 8.589 0.451 1
1 356 . 6 1 1 A 27 27 LEU HA H 27 4.190 4.172 0.018 1
1 366 . 6 1 1 A 27 27 LEU C C 27 179.100 178.889 0.211 1
1 367 . 6 1 1 A 27 27 LEU CA C 27 57.960 57.861 0.099 1
1 368 . 6 1 1 A 27 27 LEU CB C 27 43.030 41.822 1.208 1
1 372 . 6 1 1 A 27 27 LEU N N 27 122.840 121.370 1.470 1
1 373 . 6 1 1 A 28 28 TYR H H 28 8.535 8.610 -0.075 1
1 374 . 6 1 1 A 28 28 TYR HA H 28 3.826 4.101 -0.275 1
1 379 . 6 1 1 A 28 28 TYR C C 28 178.360 178.040 0.320 1
1 380 . 6 1 1 A 28 28 TYR CA C 28 63.220 61.904 1.316 1
1 381 . 6 1 1 A 28 28 TYR CB C 28 38.320 38.771 -0.451 1
1 384 . 6 1 1 A 28 28 TYR N N 28 121.030 119.437 1.593 1
1 385 . 6 1 1 A 29 29 ALA H H 29 8.009 8.155 -0.146 1
1 386 . 6 1 1 A 29 29 ALA HA H 29 3.364 4.204 -0.840 1
1 390 . 6 1 1 A 29 29 ALA CA C 29 55.420 54.611 0.809 1
1 391 . 6 1 1 A 29 29 ALA CB C 29 18.920 18.686 0.234 1
1 392 . 6 1 1 A 29 29 ALA N N 29 120.570 121.506 -0.936 1
1 393 . 6 1 1 A 30 30 ILE HA H 30 4.048 4.495 -0.447 1
1 403 . 6 1 1 A 30 30 ILE C C 30 177.270 177.714 -0.444 1
1 404 . 6 1 1 A 30 30 ILE CA C 30 63.380 61.898 1.482 1
1 405 . 6 1 1 A 30 30 ILE CB C 30 38.850 39.824 -0.974 1
1 409 . 6 1 1 A 31 31 PHE H H 31 8.446 8.738 -0.292 1
1 410 . 6 1 1 A 31 31 PHE HA H 31 4.900 4.598 0.302 1
1 415 . 6 1 1 A 31 31 PHE C C 31 177.820 178.203 -0.383 1
1 416 . 6 1 1 A 31 31 PHE CA C 31 62.380 60.215 2.165 1
1 417 . 6 1 1 A 31 31 PHE CB C 31 38.900 38.078 0.822 1
1 418 . 6 1 1 A 31 31 PHE N N 31 115.770 121.746 -5.976 1
1 419 . 6 1 1 A 32 32 SER H H 32 8.392 7.994 0.398 1
1 420 . 6 1 1 A 32 32 SER HA H 32 4.365 4.310 0.055 1
1 423 . 6 1 1 A 32 32 SER C C 32 176.140 176.414 -0.274 1
1 424 . 6 1 1 A 32 32 SER CA C 32 61.680 62.146 -0.466 1
1 425 . 6 1 1 A 32 32 SER CB C 32 62.460 62.695 -0.235 1
1 426 . 6 1 1 A 32 32 SER N N 32 116.890 115.483 1.407 1
1 427 . 6 1 1 A 33 33 GLN H H 33 7.310 7.797 -0.487 1
1 428 . 6 1 1 A 33 33 GLN HA H 33 4.059 3.987 0.072 1
1 435 . 6 1 1 A 33 33 GLN C C 33 176.330 176.693 -0.363 1
1 436 . 6 1 1 A 33 33 GLN CA C 33 57.220 57.660 -0.440 1
1 437 . 6 1 1 A 33 33 GLN CB C 33 28.040 28.288 -0.248 1
1 439 . 6 1 1 A 33 33 GLN N N 33 117.530 119.929 -2.399 1
1 441 . 6 1 1 A 34 34 PHE H H 34 7.626 7.709 -0.083 1
1 442 . 6 1 1 A 34 34 PHE HA H 34 4.435 4.534 -0.099 1
1 447 . 6 1 1 A 34 34 PHE C C 34 175.590 175.713 -0.123 1
1 448 . 6 1 1 A 34 34 PHE CA C 34 59.410 58.057 1.353 1
1 449 . 6 1 1 A 34 34 PHE CB C 34 39.380 39.472 -0.092 1
1 452 . 6 1 1 A 34 34 PHE N N 34 116.090 116.494 -0.404 1
1 453 . 6 1 1 A 35 35 GLY H H 35 7.595 7.625 -0.030 1
1 454 . 6 1 1 A 35 35 GLY HA2 H 35 3.960 4.128 -0.168 1
1 455 . 6 1 1 A 35 35 GLY HA3 H 35 4.612 4.191 0.421 1
1 456 . 6 1 1 A 35 35 GLY C C 35 170.890 174.622 -3.732 1
1 457 . 6 1 1 A 35 35 GLY CA C 35 44.160 45.599 -1.439 1
1 458 . 6 1 1 A 35 35 GLY N N 35 107.470 105.300 2.170 1
1 459 . 6 1 1 A 36 36 GLN H H 36 8.404 8.642 -0.238 1
1 460 . 6 1 1 A 36 36 GLN HA H 36 4.275 4.009 0.266 1
1 467 . 6 1 1 A 36 36 GLN C C 36 176.650 174.890 1.760 1
1 468 . 6 1 1 A 36 36 GLN CA C 36 57.180 56.531 0.649 1
1 469 . 6 1 1 A 36 36 GLN CB C 36 29.360 27.366 1.994 1
1 471 . 6 1 1 A 36 36 GLN N N 36 116.620 118.452 -1.832 1
1 473 . 6 1 1 A 37 37 ILE H H 37 9.009 7.983 1.026 1
1 474 . 6 1 1 A 37 37 ILE HA H 37 4.068 3.202 0.866 1
1 484 . 6 1 1 A 37 37 ILE C C 37 176.530 175.670 0.860 1
1 485 . 6 1 1 A 37 37 ILE CA C 37 61.270 62.271 -1.001 1
1 486 . 6 1 1 A 37 37 ILE CB C 37 40.600 37.757 2.843 1
1 490 . 6 1 1 A 37 37 ILE N N 37 129.370 127.175 2.195 1
1 491 . 6 1 1 A 38 38 LEU H H 38 9.472 9.359 0.113 1
1 492 . 6 1 1 A 38 38 LEU HA H 38 4.291 4.580 -0.289 1
1 502 . 6 1 1 A 38 38 LEU C C 38 176.900 175.371 1.529 1
1 503 . 6 1 1 A 38 38 LEU CA C 38 56.520 55.929 0.591 1
1 504 . 6 1 1 A 38 38 LEU CB C 38 42.030 44.691 -2.661 1
1 508 . 6 1 1 A 38 38 LEU N N 38 128.180 128.794 -0.614 1
1 509 . 6 1 1 A 39 39 ASP H H 39 7.493 7.721 -0.228 1
1 510 . 6 1 1 A 39 39 ASP HA H 39 4.715 4.988 -0.273 1
1 513 . 6 1 1 A 39 39 ASP C C 39 173.560 173.780 -0.220 1
1 514 . 6 1 1 A 39 39 ASP CA C 39 53.510 53.430 0.080 1
1 515 . 6 1 1 A 39 39 ASP CB C 39 44.160 43.987 0.173 1
1 516 . 6 1 1 A 39 39 ASP N N 39 114.640 117.250 -2.610 1
1 517 . 6 1 1 A 40 40 ILE H H 40 8.537 8.541 -0.004 1
1 518 . 6 1 1 A 40 40 ILE HA H 40 4.722 4.820 -0.098 1
1 528 . 6 1 1 A 40 40 ILE C C 40 174.090 175.137 -1.047 1
1 529 . 6 1 1 A 40 40 ILE CA C 40 61.060 60.112 0.948 1
1 530 . 6 1 1 A 40 40 ILE CB C 40 41.220 42.164 -0.944 1
1 534 . 6 1 1 A 40 40 ILE N N 40 119.670 121.869 -2.199 1
1 535 . 6 1 1 A 41 41 VAL H H 41 8.807 8.908 -0.101 1
1 536 . 6 1 1 A 41 41 VAL HA H 41 4.195 4.736 -0.541 1
1 544 . 6 1 1 A 41 41 VAL C C 41 174.470 174.587 -0.117 1
1 545 . 6 1 1 A 41 41 VAL CA C 41 61.020 61.901 -0.881 1
1 546 . 6 1 1 A 41 41 VAL CB C 41 34.160 33.586 0.574 1
1 549 . 6 1 1 A 41 41 VAL N N 41 127.000 126.497 0.503 1
1 550 . 6 1 1 A 42 42 ALA H H 42 8.708 8.921 -0.213 1
1 551 . 6 1 1 A 42 42 ALA HA H 42 4.796 5.130 -0.334 1
1 555 . 6 1 1 A 42 42 ALA C C 42 175.210 175.485 -0.275 1
1 556 . 6 1 1 A 42 42 ALA CA C 42 51.430 50.876 0.554 1
1 557 . 6 1 1 A 42 42 ALA CB C 42 19.780 24.011 -4.231 1
1 558 . 6 1 1 A 42 42 ALA N N 42 130.100 128.346 1.754 1
1 559 . 6 1 1 A 43 43 LEU H H 43 8.224 8.934 -0.710 1
1 560 . 6 1 1 A 43 43 LEU HA H 43 4.575 4.886 -0.311 1
1 570 . 6 1 1 A 43 43 LEU CA C 43 54.620 53.543 1.077 1
1 571 . 6 1 1 A 43 43 LEU CB C 43 43.640 45.261 -1.621 1
1 575 . 6 1 1 A 43 43 LEU N N 43 122.270 119.589 2.681 1
1 576 . 6 1 1 A 44 44 LYS HA H 44 4.570 4.097 0.473 1
1 585 . 6 1 1 A 44 44 LYS CA C 44 56.000 58.349 -2.349 1
1 586 . 6 1 1 A 44 44 LYS CB C 44 32.940 32.148 0.792 1
1 590 . 6 1 1 A 45 45 THR H H 45 7.706 7.507 0.199 1
1 591 . 6 1 1 A 45 45 THR HA H 45 4.494 4.184 0.310 1
1 596 . 6 1 1 A 45 45 THR CA C 45 60.500 62.138 -1.638 1
1 597 . 6 1 1 A 45 45 THR CB C 45 70.450 69.613 0.837 1
1 599 . 6 1 1 A 45 45 THR N N 45 113.650 113.095 0.555 1
1 600 . 6 1 1 A 46 46 LEU HA H 46 4.142 4.013 0.129 1
1 610 . 6 1 1 A 46 46 LEU C C 46 179.030 177.809 1.221 1
1 611 . 6 1 1 A 46 46 LEU CA C 46 57.630 58.651 -1.021 1
1 612 . 6 1 1 A 46 46 LEU CB C 46 42.020 41.182 0.838 1
1 616 . 6 1 1 A 47 47 LYS H H 47 8.325 7.979 0.346 1
1 617 . 6 1 1 A 47 47 LYS HA H 47 4.139 4.097 0.042 1
1 626 . 6 1 1 A 47 47 LYS C C 47 176.700 177.354 -0.654 1
1 627 . 6 1 1 A 47 47 LYS CA C 47 57.800 58.545 -0.745 1
1 628 . 6 1 1 A 47 47 LYS CB C 47 32.440 32.307 0.133 1
1 632 . 6 1 1 A 47 47 LYS N N 47 116.870 119.509 -2.639 1
1 633 . 6 1 1 A 48 48 MET H H 48 7.649 7.874 -0.225 1
1 634 . 6 1 1 A 48 48 MET HA H 48 4.581 4.791 -0.210 1
1 642 . 6 1 1 A 48 48 MET C C 48 175.550 176.562 -1.012 1
1 643 . 6 1 1 A 48 48 MET CA C 48 54.970 55.099 -0.129 1
1 644 . 6 1 1 A 48 48 MET CB C 48 32.770 33.579 -0.809 1
1 647 . 6 1 1 A 48 48 MET N N 48 116.090 116.211 -0.121 1
1 648 . 6 1 1 A 49 49 ARG H H 49 7.653 8.395 -0.742 1
1 649 . 6 1 1 A 49 49 ARG HA H 49 4.377 4.597 -0.220 1
1 656 . 6 1 1 A 49 49 ARG C C 49 177.450 177.982 -0.532 1
1 657 . 6 1 1 A 49 49 ARG CA C 49 57.250 56.888 0.362 1
1 658 . 6 1 1 A 49 49 ARG CB C 49 30.400 32.652 -2.252 1
1 661 . 6 1 1 A 49 49 ARG N N 49 119.580 120.867 -1.287 1
1 662 . 6 1 1 A 50 50 GLY H H 50 9.177 8.209 0.968 1
1 663 . 6 1 1 A 50 50 GLY HA2 H 50 3.960 3.935 0.025 1
1 664 . 6 1 1 A 50 50 GLY HA3 H 50 4.107 3.941 0.166 1
1 665 . 6 1 1 A 50 50 GLY C C 50 172.960 173.840 -0.880 1
1 666 . 6 1 1 A 50 50 GLY CA C 50 46.140 45.608 0.532 1
1 667 . 6 1 1 A 50 50 GLY N N 50 111.640 107.118 4.522 1
1 668 . 6 1 1 A 51 51 GLN H H 51 7.853 7.742 0.111 1
1 669 . 6 1 1 A 51 51 GLN HA H 51 5.516 4.687 0.829 1
1 675 . 6 1 1 A 51 51 GLN C C 51 174.800 173.570 1.230 1
1 676 . 6 1 1 A 51 51 GLN CA C 51 54.160 54.053 0.107 1
1 677 . 6 1 1 A 51 51 GLN CB C 51 34.330 32.160 2.170 1
1 679 . 6 1 1 A 51 51 GLN N N 51 117.000 116.398 0.602 1
1 681 . 6 1 1 A 52 52 ALA H H 52 8.765 8.472 0.293 1
1 682 . 6 1 1 A 52 52 ALA HA H 52 5.098 4.862 0.236 1
1 686 . 6 1 1 A 52 52 ALA C C 52 174.820 175.383 -0.563 1
1 687 . 6 1 1 A 52 52 ALA CA C 52 51.170 51.234 -0.064 1
1 688 . 6 1 1 A 52 52 ALA CB C 52 23.350 23.588 -0.238 1
1 689 . 6 1 1 A 52 52 ALA N N 52 121.050 120.690 0.360 1
1 690 . 6 1 1 A 53 53 PHE H H 53 8.840 8.791 0.049 1
1 691 . 6 1 1 A 53 53 PHE HA H 53 5.615 5.615 0.000 1
1 696 . 6 1 1 A 53 53 PHE C C 53 174.870 174.650 0.220 1
1 697 . 6 1 1 A 53 53 PHE CA C 53 55.770 56.505 -0.735 1
1 698 . 6 1 1 A 53 53 PHE CB C 53 41.530 43.228 -1.698 1
1 701 . 6 1 1 A 53 53 PHE N N 53 115.860 116.422 -0.562 1
1 702 . 6 1 1 A 54 54 VAL H H 54 8.766 9.033 -0.267 1
1 703 . 6 1 1 A 54 54 VAL HA H 54 4.169 4.897 -0.728 1
1 711 . 6 1 1 A 54 54 VAL C C 54 173.330 174.028 -0.698 1
1 712 . 6 1 1 A 54 54 VAL CA C 54 61.920 59.908 2.012 1
1 713 . 6 1 1 A 54 54 VAL CB C 54 32.860 35.852 -2.992 1
1 716 . 6 1 1 A 54 54 VAL N N 54 121.920 116.277 5.643 1
1 717 . 6 1 1 A 55 55 ILE H H 55 8.319 9.171 -0.852 1
1 718 . 6 1 1 A 55 55 ILE HA H 55 4.512 5.041 -0.529 1
1 728 . 6 1 1 A 55 55 ILE C C 55 173.920 175.072 -1.152 1
1 729 . 6 1 1 A 55 55 ILE CA C 55 60.880 60.279 0.601 1
1 730 . 6 1 1 A 55 55 ILE CB C 55 39.130 39.725 -0.595 1
1 734 . 6 1 1 A 55 55 ILE N N 55 126.350 125.923 0.427 1
1 735 . 6 1 1 A 56 56 PHE H H 56 9.009 9.242 -0.233 1
1 736 . 6 1 1 A 56 56 PHE HA H 56 4.889 5.016 -0.127 1
1 741 . 6 1 1 A 56 56 PHE C C 56 175.180 176.367 -1.187 1
1 742 . 6 1 1 A 56 56 PHE CA C 56 59.030 57.120 1.910 1
1 743 . 6 1 1 A 56 56 PHE CB C 56 40.320 42.707 -2.387 1
1 744 . 6 1 1 A 56 56 PHE N N 56 126.440 125.793 0.647 1
1 745 . 6 1 1 A 57 57 LYS H H 57 8.191 8.816 -0.625 1
1 746 . 6 1 1 A 57 57 LYS HA H 57 3.969 4.120 -0.151 1
1 755 . 6 1 1 A 57 57 LYS C C 57 176.140 175.928 0.212 1
1 756 . 6 1 1 A 57 57 LYS CA C 57 59.290 59.139 0.151 1
1 757 . 6 1 1 A 57 57 LYS CB C 57 33.850 32.883 0.967 1
1 761 . 6 1 1 A 57 57 LYS N N 57 119.130 122.508 -3.378 1
1 762 . 6 1 1 A 58 58 GLU H H 58 8.614 7.997 0.617 1
1 763 . 6 1 1 A 58 58 GLU HA H 58 4.850 4.683 0.167 1
1 768 . 6 1 1 A 58 58 GLU C C 58 177.130 176.002 1.128 1
1 769 . 6 1 1 A 58 58 GLU CA C 58 54.130 55.344 -1.214 1
1 770 . 6 1 1 A 58 58 GLU CB C 58 32.230 33.710 -1.480 1
1 772 . 6 1 1 A 58 58 GLU N N 58 114.350 116.719 -2.369 1
1 773 . 6 1 1 A 59 59 ILE H H 59 8.825 8.697 0.128 1
1 774 . 6 1 1 A 59 59 ILE HA H 59 3.499 3.827 -0.328 1
1 784 . 6 1 1 A 59 59 ILE C C 59 177.650 178.185 -0.535 1
1 785 . 6 1 1 A 59 59 ILE CA C 59 65.660 64.296 1.364 1
1 786 . 6 1 1 A 59 59 ILE CB C 59 38.040 37.687 0.353 1
1 790 . 6 1 1 A 59 59 ILE N N 59 122.940 122.624 0.316 1
1 791 . 6 1 1 A 60 60 GLY H H 60 8.875 8.501 0.374 1
1 792 . 6 1 1 A 60 60 GLY HA2 H 60 3.780 3.799 -0.019 1
1 793 . 6 1 1 A 60 60 GLY HA3 H 60 3.925 3.812 0.113 1
1 794 . 6 1 1 A 60 60 GLY C C 60 176.700 176.391 0.309 1
1 795 . 6 1 1 A 60 60 GLY CA C 60 47.070 47.498 -0.428 1
1 796 . 6 1 1 A 60 60 GLY N N 60 106.980 110.570 -3.590 1
1 797 . 6 1 1 A 61 61 SER H H 61 6.973 7.965 -0.992 1
1 798 . 6 1 1 A 61 61 SER HA H 61 4.141 4.289 -0.148 1
1 801 . 6 1 1 A 61 61 SER C C 61 174.060 176.239 -2.179 1
1 802 . 6 1 1 A 61 61 SER CA C 61 61.870 62.544 -0.674 1
1 803 . 6 1 1 A 61 61 SER CB C 61 63.150 62.890 0.260 1
1 804 . 6 1 1 A 61 61 SER N N 61 116.200 119.344 -3.144 1
1 805 . 6 1 1 A 62 62 ALA H H 62 6.786 8.470 -1.684 1
1 806 . 6 1 1 A 62 62 ALA HA H 62 3.370 3.399 -0.029 1
1 810 . 6 1 1 A 62 62 ALA C C 62 178.960 179.097 -0.137 1
1 811 . 6 1 1 A 62 62 ALA CA C 62 55.370 54.971 0.399 1
1 812 . 6 1 1 A 62 62 ALA CB C 62 19.030 18.494 0.536 1
1 813 . 6 1 1 A 62 62 ALA N N 62 123.660 123.774 -0.114 1
1 814 . 6 1 1 A 63 63 SER H H 63 8.379 8.064 0.315 1
1 815 . 6 1 1 A 63 63 SER HA H 63 4.551 4.134 0.417 1
1 818 . 6 1 1 A 63 63 SER C C 63 177.040 176.091 0.949 1
1 819 . 6 1 1 A 63 63 SER CA C 63 61.000 61.798 -0.798 1
1 820 . 6 1 1 A 63 63 SER CB C 63 63.090 62.854 0.236 1
1 821 . 6 1 1 A 63 63 SER N N 63 111.560 113.077 -1.517 1
1 822 . 6 1 1 A 64 64 ASN H H 64 7.737 8.537 -0.800 1
1 823 . 6 1 1 A 64 64 ASN HA H 64 4.434 4.338 0.096 1
1 828 . 6 1 1 A 64 64 ASN C C 64 177.490 177.234 0.256 1
1 829 . 6 1 1 A 64 64 ASN CA C 64 55.410 56.389 -0.979 1
1 830 . 6 1 1 A 64 64 ASN CB C 64 37.930 38.935 -1.005 1
1 831 . 6 1 1 A 64 64 ASN N N 64 120.200 120.348 -0.148 1
1 833 . 6 1 1 A 65 65 ALA H H 65 8.085 7.778 0.307 1
1 834 . 6 1 1 A 65 65 ALA HA H 65 4.864 3.933 0.931 1
1 838 . 6 1 1 A 65 65 ALA C C 65 178.180 179.423 -1.243 1
1 839 . 6 1 1 A 65 65 ALA CA C 65 54.700 54.926 -0.226 1
1 840 . 6 1 1 A 65 65 ALA CB C 65 19.950 17.895 2.055 1
1 841 . 6 1 1 A 65 65 ALA N N 65 125.150 121.672 3.478 1
1 842 . 6 1 1 A 66 66 LEU H H 66 8.083 8.083 0.000 1
1 843 . 6 1 1 A 66 66 LEU HA H 66 3.560 4.058 -0.498 1
1 853 . 6 1 1 A 66 66 LEU C C 66 177.650 178.363 -0.713 1
1 854 . 6 1 1 A 66 66 LEU CA C 66 59.540 58.252 1.288 1
1 855 . 6 1 1 A 66 66 LEU CB C 66 42.020 41.557 0.463 1
1 859 . 6 1 1 A 66 66 LEU N N 66 118.670 119.566 -0.896 1
1 860 . 6 1 1 A 67 67 ARG H H 67 7.620 8.331 -0.711 1
1 861 . 6 1 1 A 67 67 ARG HA H 67 3.939 3.939 0.000 1
1 868 . 6 1 1 A 67 67 ARG C C 67 178.960 179.218 -0.258 1
1 869 . 6 1 1 A 67 67 ARG CA C 67 58.860 59.557 -0.697 1
1 870 . 6 1 1 A 67 67 ARG CB C 67 30.570 29.833 0.737 1
1 873 . 6 1 1 A 67 67 ARG N N 67 114.570 117.738 -3.168 1
1 874 . 6 1 1 A 68 68 THR H H 68 7.850 7.873 -0.023 1
1 875 . 6 1 1 A 68 68 THR HA H 68 4.040 3.841 0.199 1
1 880 . 6 1 1 A 68 68 THR C C 68 175.960 175.943 0.017 1
1 881 . 6 1 1 A 68 68 THR CA C 68 66.160 66.670 -0.510 1
1 882 . 6 1 1 A 68 68 THR CB C 68 69.260 67.993 1.267 1
1 884 . 6 1 1 A 68 68 THR N N 68 112.630 118.271 -5.641 1
1 885 . 6 1 1 A 69 69 MET H H 69 7.934 7.882 0.052 1
1 886 . 6 1 1 A 69 69 MET HA H 69 4.734 4.184 0.550 1
1 894 . 6 1 1 A 69 69 MET C C 69 175.820 176.197 -0.377 1
1 895 . 6 1 1 A 69 69 MET CA C 69 53.560 55.138 -1.578 1
1 896 . 6 1 1 A 69 69 MET CB C 69 29.730 31.793 -2.063 1
1 899 . 6 1 1 A 69 69 MET N N 69 115.080 116.809 -1.729 1
1 900 . 6 1 1 A 70 70 GLN H H 70 7.003 7.432 -0.429 1
1 901 . 6 1 1 A 70 70 GLN HA H 70 4.043 4.074 -0.031 1
1 908 . 6 1 1 A 70 70 GLN C C 70 178.020 177.042 0.978 1
1 909 . 6 1 1 A 70 70 GLN CA C 70 57.710 58.154 -0.444 1
1 910 . 6 1 1 A 70 70 GLN CB C 70 30.080 28.516 1.564 1
1 912 . 6 1 1 A 70 70 GLN N N 70 120.730 119.669 1.061 1
1 914 . 6 1 1 A 71 71 GLY H H 71 8.693 8.896 -0.203 1
1 915 . 6 1 1 A 71 71 GLY HA2 H 71 4.230 3.907 0.323 1
1 916 . 6 1 1 A 71 71 GLY HA3 H 71 3.817 3.910 -0.093 1
1 917 . 6 1 1 A 71 71 GLY C C 71 173.290 174.278 -0.988 1
1 918 . 6 1 1 A 71 71 GLY CA C 71 45.960 45.629 0.331 1
1 919 . 6 1 1 A 71 71 GLY N N 71 118.750 113.350 5.400 1
1 920 . 6 1 1 A 72 72 PHE H H 72 8.426 8.162 0.264 1
1 921 . 6 1 1 A 72 72 PHE HA H 72 4.641 4.512 0.129 1
1 926 . 6 1 1 A 72 72 PHE CA C 72 56.830 57.034 -0.204 1
1 927 . 6 1 1 A 72 72 PHE CB C 72 40.650 39.853 0.797 1
1 928 . 6 1 1 A 72 72 PHE N N 72 124.640 121.966 2.674 1
1 929 . 6 1 1 A 73 73 PRO HA H 73 4.052 4.724 -0.672 1
1 934 . 6 1 1 A 73 73 PRO C C 73 174.500 176.403 -1.903 1
1 935 . 6 1 1 A 73 73 PRO CA C 73 62.460 62.060 0.400 1
1 936 . 6 1 1 A 73 73 PRO CB C 73 30.700 28.924 1.776 1
1 939 . 6 1 1 A 74 74 PHE H H 74 8.382 8.577 -0.195 1
1 940 . 6 1 1 A 74 74 PHE HA H 74 4.235 4.354 -0.119 1
1 945 . 6 1 1 A 74 74 PHE C C 74 175.590 174.653 0.937 1
1 946 . 6 1 1 A 74 74 PHE CA C 74 56.440 61.843 -5.403 1
1 947 . 6 1 1 A 74 74 PHE CB C 74 42.540 39.877 2.663 1
1 950 . 6 1 1 A 74 74 PHE N N 74 128.220 123.530 4.690 1
1 951 . 6 1 1 A 75 75 TYR H H 75 9.185 7.904 1.281 1
1 952 . 6 1 1 A 75 75 TYR HA H 75 3.764 4.906 -1.142 1
1 957 . 6 1 1 A 75 75 TYR C C 75 175.210 175.339 -0.129 1
1 958 . 6 1 1 A 75 75 TYR CA C 75 60.780 57.056 3.724 1
1 959 . 6 1 1 A 75 75 TYR CB C 75 36.110 42.359 -6.249 1
1 962 . 6 1 1 A 75 75 TYR N N 75 128.090 115.315 12.775 1
1 963 . 6 1 1 A 76 76 ASP H H 76 8.306 9.037 -0.731 1
1 964 . 6 1 1 A 76 76 ASP HA H 76 4.075 4.706 -0.631 1
1 967 . 6 1 1 A 76 76 ASP C C 76 175.390 175.551 -0.161 1
1 968 . 6 1 1 A 76 76 ASP CA C 76 56.360 54.830 1.530 1
1 969 . 6 1 1 A 76 76 ASP CB C 76 40.510 40.721 -0.211 1
1 970 . 6 1 1 A 76 76 ASP N N 76 107.370 122.019 -14.649 1
1 971 . 6 1 1 A 77 77 LYS H H 77 7.687 7.740 -0.053 1
1 972 . 6 1 1 A 77 77 LYS HA H 77 5.020 4.795 0.225 1
1 981 . 6 1 1 A 77 77 LYS CA C 77 53.450 52.788 0.662 1
1 982 . 6 1 1 A 77 77 LYS CB C 77 34.800 34.223 0.577 1
1 986 . 6 1 1 A 77 77 LYS N N 77 118.880 119.306 -0.426 1
1 987 . 6 1 1 A 78 78 PRO HA H 78 4.240 4.498 -0.258 1
1 994 . 6 1 1 A 78 78 PRO C C 78 177.470 177.090 0.380 1
1 995 . 6 1 1 A 78 78 PRO CA C 78 62.310 62.866 -0.556 1
1 996 . 6 1 1 A 78 78 PRO CB C 78 31.690 32.359 -0.669 1
1 999 . 6 1 1 A 79 79 MET H H 79 8.696 8.509 0.187 1
1 1000 . 6 1 1 A 79 79 MET HA H 79 4.289 4.559 -0.270 1
1 1008 . 6 1 1 A 79 79 MET C C 79 175.960 176.045 -0.085 1
1 1009 . 6 1 1 A 79 79 MET CA C 79 58.600 56.491 2.109 1
1 1010 . 6 1 1 A 79 79 MET CB C 79 35.200 33.380 1.820 1
1 1013 . 6 1 1 A 79 79 MET N N 79 126.540 121.940 4.600 1
1 1014 . 6 1 1 A 80 80 GLN H H 80 7.779 8.453 -0.674 1
1 1015 . 6 1 1 A 80 80 GLN HA H 80 4.855 5.214 -0.359 1
1 1022 . 6 1 1 A 80 80 GLN C C 80 174.820 174.795 0.025 1
1 1023 . 6 1 1 A 80 80 GLN CA C 80 54.550 54.265 0.285 1
1 1024 . 6 1 1 A 80 80 GLN CB C 80 29.320 31.879 -2.559 1
1 1026 . 6 1 1 A 80 80 GLN N N 80 122.810 119.785 3.025 1
1 1028 . 6 1 1 A 81 81 ILE H H 81 9.682 8.724 0.958 1
1 1029 . 6 1 1 A 81 81 ILE HA H 81 5.010 5.051 -0.041 1
1 1039 . 6 1 1 A 81 81 ILE C C 81 174.710 174.460 0.250 1
1 1040 . 6 1 1 A 81 81 ILE CA C 81 60.900 59.991 0.909 1
1 1041 . 6 1 1 A 81 81 ILE CB C 81 40.120 42.457 -2.337 1
1 1045 . 6 1 1 A 81 81 ILE N N 81 126.070 122.951 3.119 1
1 1046 . 6 1 1 A 82 82 ALA H H 82 9.039 8.354 0.685 1
1 1047 . 6 1 1 A 82 82 ALA HA H 82 4.620 5.098 -0.478 1
1 1051 . 6 1 1 A 82 82 ALA C C 82 176.700 175.767 0.933 1
1 1052 . 6 1 1 A 82 82 ALA CA C 82 50.890 50.915 -0.025 1
1 1053 . 6 1 1 A 82 82 ALA CB C 82 23.420 23.599 -0.179 1
1 1054 . 6 1 1 A 82 82 ALA N N 82 130.310 126.160 4.150 1
1 1055 . 6 1 1 A 83 83 TYR H H 83 8.411 8.633 -0.222 1
1 1056 . 6 1 1 A 83 83 TYR HA H 83 4.905 4.766 0.139 1
1 1061 . 6 1 1 A 83 83 TYR C C 83 176.900 175.864 1.036 1
1 1062 . 6 1 1 A 83 83 TYR CA C 83 59.280 57.470 1.810 1
1 1063 . 6 1 1 A 83 83 TYR CB C 83 39.350 39.619 -0.269 1
1 1065 . 6 1 1 A 83 83 TYR N N 83 118.580 119.220 -0.640 1
1 1066 . 6 1 1 A 84 84 SER H H 84 8.452 8.712 -0.260 1
1 1067 . 6 1 1 A 84 84 SER HA H 84 4.248 4.659 -0.411 1
1 1070 . 6 1 1 A 84 84 SER C C 84 174.220 174.577 -0.357 1
1 1071 . 6 1 1 A 84 84 SER CA C 84 58.560 59.285 -0.725 1
1 1072 . 6 1 1 A 84 84 SER CB C 84 64.100 64.275 -0.175 1
1 1073 . 6 1 1 A 84 84 SER N N 84 115.040 118.744 -3.704 1
1 1074 . 6 1 1 A 85 85 LYS H H 85 8.443 8.765 -0.322 1
1 1075 . 6 1 1 A 85 85 LYS HA H 85 4.275 4.847 -0.572 1
1 1080 . 6 1 1 A 85 85 LYS C C 85 177.080 176.162 0.918 1
1 1081 . 6 1 1 A 85 85 LYS CA C 85 56.960 54.223 2.737 1
1 1082 . 6 1 1 A 85 85 LYS CB C 85 33.150 36.554 -3.404 1
1 1086 . 6 1 1 A 85 85 LYS N N 85 123.610 123.491 0.119 1
1 1087 . 6 1 1 A 86 86 SER H H 86 8.204 8.485 -0.281 1
1 1088 . 6 1 1 A 86 86 SER HA H 86 4.335 4.494 -0.159 1
1 1090 . 6 1 1 A 86 86 SER C C 86 174.080 174.130 -0.050 1
1 1091 . 6 1 1 A 86 86 SER CA C 86 58.400 59.124 -0.724 1
1 1092 . 6 1 1 A 86 86 SER CB C 86 63.750 63.880 -0.130 1
1 1093 . 6 1 1 A 86 86 SER N N 86 115.780 116.292 -0.512 1
1 1094 . 6 1 1 A 87 87 ASP H H 87 8.435 8.602 -0.167 1
1 1095 . 6 1 1 A 87 87 ASP HA H 87 4.578 5.048 -0.470 1
1 1098 . 6 1 1 A 87 87 ASP C C 87 176.630 176.020 0.610 1
1 1099 . 6 1 1 A 87 87 ASP CA C 87 54.260 53.703 0.557 1
1 1100 . 6 1 1 A 87 87 ASP CB C 87 40.780 43.932 -3.152 1
1 1101 . 6 1 1 A 87 87 ASP N N 87 121.910 123.378 -1.468 1
1 1102 . 6 1 1 A 88 88 SER H H 88 8.061 9.009 -0.948 1
1 1103 . 6 1 1 A 88 88 SER HA H 88 4.328 4.106 0.222 1
1 1106 . 6 1 1 A 88 88 SER C C 88 174.840 176.119 -1.279 1
1 1107 . 6 1 1 A 88 88 SER CA C 88 58.800 61.809 -3.009 1
1 1108 . 6 1 1 A 88 88 SER CB C 88 63.870 63.046 0.824 1
1 1109 . 6 1 1 A 88 88 SER N N 88 116.440 120.629 -4.189 1
1 1110 . 6 1 1 A 89 89 ASP H H 89 8.556 8.307 0.249 1
1 1111 . 6 1 1 A 89 89 ASP HA H 89 4.460 4.465 -0.005 1
1 1114 . 6 1 1 A 89 89 ASP C C 89 177.450 178.393 -0.943 1
1 1115 . 6 1 1 A 89 89 ASP CA C 89 56.110 57.878 -1.768 1
1 1116 . 6 1 1 A 89 89 ASP CB C 89 40.500 41.449 -0.949 1
1 1117 . 6 1 1 A 89 89 ASP N N 89 123.080 121.216 1.864 1
1 1118 . 6 1 1 A 90 90 ILE H H 90 7.756 7.905 -0.149 1
1 1119 . 6 1 1 A 90 90 ILE HA H 90 3.829 3.825 0.004 1
1 1129 . 6 1 1 A 90 90 ILE C C 90 177.060 178.123 -1.063 1
1 1130 . 6 1 1 A 90 90 ILE CA C 90 63.070 64.645 -1.575 1
1 1131 . 6 1 1 A 90 90 ILE CB C 90 38.290 37.391 0.899 1
1 1135 . 6 1 1 A 90 90 ILE N N 90 119.250 118.190 1.060 1
1 1136 . 6 1 1 A 91 91 VAL H H 91 7.459 8.564 -1.105 1
1 1137 . 6 1 1 A 91 91 VAL HA H 91 3.613 3.523 0.090 1
1 1145 . 6 1 1 A 91 91 VAL C C 91 177.080 178.006 -0.926 1
1 1146 . 6 1 1 A 91 91 VAL CA C 91 65.250 66.547 -1.297 1
1 1147 . 6 1 1 A 91 91 VAL CB C 91 31.970 31.540 0.430 1
1 1150 . 6 1 1 A 91 91 VAL N N 91 121.040 121.960 -0.920 1
1 1151 . 6 1 1 A 92 92 ALA H H 92 8.076 8.281 -0.205 1
1 1152 . 6 1 1 A 92 92 ALA HA H 92 4.098 3.961 0.137 1
1 1156 . 6 1 1 A 92 92 ALA C C 92 179.510 180.011 -0.501 1
1 1157 . 6 1 1 A 92 92 ALA CA C 92 54.180 55.809 -1.629 1
1 1158 . 6 1 1 A 92 92 ALA CB C 92 18.660 18.622 0.038 1
1 1159 . 6 1 1 A 92 92 ALA N N 92 122.880 121.965 0.915 1
1 1160 . 6 1 1 A 93 93 LYS H H 93 7.946 8.149 -0.203 1
1 1161 . 6 1 1 A 93 93 LYS HA H 93 4.136 3.944 0.192 1
1 1170 . 6 1 1 A 93 93 LYS C C 93 178.300 179.324 -1.024 1
1 1171 . 6 1 1 A 93 93 LYS CA C 93 58.000 59.527 -1.527 1
1 1172 . 6 1 1 A 93 93 LYS CB C 93 32.550 32.474 0.076 1
1 1176 . 6 1 1 A 93 93 LYS N N 93 118.800 116.923 1.877 1
1 1177 . 6 1 1 A 94 94 ILE H H 94 7.894 7.721 0.173 1
1 1178 . 6 1 1 A 94 94 ILE HA H 94 3.906 3.895 0.011 1
1 1188 . 6 1 1 A 94 94 ILE C C 94 177.720 178.202 -0.482 1
1 1189 . 6 1 1 A 94 94 ILE CA C 94 63.200 62.556 0.644 1
1 1190 . 6 1 1 A 94 94 ILE CB C 94 38.330 37.042 1.288 1
1 1194 . 6 1 1 A 94 94 ILE N N 94 120.760 117.942 2.818 1
1 1195 . 6 1 1 A 95 95 LYS H H 95 8.310 7.822 0.488 1
1 1196 . 6 1 1 A 95 95 LYS HA H 95 4.083 4.083 0.000 1
1 1205 . 6 1 1 A 95 95 LYS C C 95 177.660 177.738 -0.078 1
1 1206 . 6 1 1 A 95 95 LYS CA C 95 57.930 58.519 -0.589 1
1 1207 . 6 1 1 A 95 95 LYS CB C 95 32.860 33.088 -0.228 1
1 1211 . 6 1 1 A 95 95 LYS N N 95 121.330 120.400 0.930 1
1 1212 . 6 1 1 A 96 96 GLY H H 96 8.122 7.753 0.369 1
1 1213 . 6 1 1 A 96 96 GLY HA2 H 96 3.999 4.063 -0.064 1
1 1214 . 6 1 1 A 96 96 GLY HA3 H 96 3.999 4.064 -0.065 1
1 1215 . 6 1 1 A 96 96 GLY C C 96 174.640 174.218 0.422 1
1 1216 . 6 1 1 A 96 96 GLY CA C 96 45.660 45.531 0.129 1
1 1217 . 6 1 1 A 96 96 GLY N N 96 107.870 104.603 3.267 1
1 1218 . 6 1 1 A 97 97 THR H H 97 7.968 8.216 -0.248 1
1 1219 . 6 1 1 A 97 97 THR HA H 97 4.294 4.340 -0.046 1
1 1224 . 6 1 1 A 97 97 THR C C 97 174.590 174.185 0.405 1
1 1225 . 6 1 1 A 97 97 THR CA C 97 62.160 63.999 -1.839 1
1 1226 . 6 1 1 A 97 97 THR CB C 97 69.630 67.477 2.153 1
1 1228 . 6 1 1 A 97 97 THR N N 97 112.820 109.447 3.373 1
1 1229 . 6 1 1 A 98 98 PHE H H 98 7.938 8.615 -0.677 1
1 1230 . 6 1 1 A 98 98 PHE HA H 98 4.552 4.317 0.235 1
1 1235 . 6 1 1 A 98 98 PHE C C 98 175.370 175.519 -0.149 1
1 1236 . 6 1 1 A 98 98 PHE CA C 98 58.150 60.502 -2.352 1
1 1237 . 6 1 1 A 98 98 PHE CB C 98 39.550 38.349 1.201 1
1 1239 . 6 1 1 A 98 98 PHE N N 98 122.400 121.671 0.729 1
1 1240 . 6 1 1 A 99 99 LYS H H 99 7.986 6.997 0.989 1
1 1241 . 6 1 1 A 99 99 LYS HA H 99 4.242 4.566 -0.324 1
1 1250 . 6 1 1 A 99 99 LYS C C 99 175.750 176.124 -0.374 1
1 1251 . 6 1 1 A 99 99 LYS CA C 99 56.030 54.538 1.492 1
1 1252 . 6 1 1 A 99 99 LYS CB C 99 33.390 35.643 -2.253 1
1 1256 . 6 1 1 A 99 99 LYS N N 99 123.810 117.670 6.140 1
1 1257 . 6 1 1 A 100 100 GLU H H 100 8.247 8.859 -0.612 1
1 1258 . 6 1 1 A 100 100 GLU HA H 100 4.202 4.120 0.082 1
1 1263 . 6 1 1 A 100 100 GLU C C 100 176.210 177.069 -0.859 1
1 1264 . 6 1 1 A 100 100 GLU CA C 100 56.270 59.013 -2.743 1
1 1265 . 6 1 1 A 100 100 GLU CB C 100 30.550 29.688 0.862 1
1 1267 . 6 1 1 A 100 100 GLU N N 100 122.270 124.388 -2.118 1
1 1268 . 6 1 1 A 101 101 ARG H H 101 8.415 7.369 1.046 1
1 1269 . 6 1 1 A 101 101 ARG HA H 101 4.590 4.449 0.141 1
1 1276 . 6 1 1 A 101 101 ARG CA C 101 53.980 54.561 -0.581 1
1 1277 . 6 1 1 A 101 101 ARG CB C 101 30.070 29.853 0.217 1
1 1280 . 6 1 1 A 101 101 ARG N N 101 123.970 119.544 4.426 1
1 1281 . 6 1 1 A 102 102 PRO HA H 102 4.421 4.391 0.030 1
1 1288 . 6 1 1 A 102 102 PRO C C 102 176.700 176.000 0.700 1
1 1289 . 6 1 1 A 102 102 PRO CA C 102 63.090 64.746 -1.656 1
1 1290 . 6 1 1 A 102 102 PRO CB C 102 32.160 31.968 0.192 1
1 1293 . 6 1 1 A 103 103 LYS H H 103 8.445 7.214 1.231 1
1 1294 . 6 1 1 A 103 103 LYS HA H 103 4.294 4.765 -0.471 1
1 1303 . 6 1 1 A 103 103 LYS C C 103 175.690 175.680 0.010 1
1 1304 . 6 1 1 A 103 103 LYS CA C 103 56.380 55.128 1.252 1
1 1305 . 6 1 1 A 103 103 LYS CB C 103 33.150 34.522 -1.372 1
1 1309 . 6 1 1 A 103 103 LYS N N 103 122.480 110.728 11.752 1
1 1 . 7 1 1 A 2 2 GLU HA H 2 4.372 4.878 -0.506 1
1 6 . 7 1 1 A 2 2 GLU C C 2 175.830 176.322 -0.492 1
1 7 . 7 1 1 A 2 2 GLU CA C 2 56.340 54.335 2.005 1
1 8 . 7 1 1 A 2 2 GLU CB C 2 30.550 33.684 -3.134 1
1 10 . 7 1 1 A 3 3 MET H H 3 8.529 8.647 -0.118 1
1 11 . 7 1 1 A 3 3 MET HA H 3 4.534 4.570 -0.036 1
1 19 . 7 1 1 A 3 3 MET C C 3 175.350 176.812 -1.462 1
1 20 . 7 1 1 A 3 3 MET CA C 3 54.950 55.894 -0.944 1
1 21 . 7 1 1 A 3 3 MET CB C 3 33.150 32.634 0.516 1
1 24 . 7 1 1 A 3 3 MET N N 3 122.340 120.095 2.245 1
1 25 . 7 1 1 A 4 4 LEU H H 4 8.265 8.754 -0.489 1
1 26 . 7 1 1 A 4 4 LEU HA H 4 4.579 4.553 0.026 1
1 36 . 7 1 1 A 4 4 LEU CA C 4 52.620 53.689 -1.069 1
1 37 . 7 1 1 A 4 4 LEU CB C 4 41.780 40.797 0.983 1
1 41 . 7 1 1 A 4 4 LEU N N 4 125.280 124.752 0.528 1
1 42 . 7 1 1 A 5 5 PRO HA H 5 4.268 4.686 -0.418 1
1 49 . 7 1 1 A 5 5 PRO C C 5 175.390 175.152 0.238 1
1 50 . 7 1 1 A 5 5 PRO CA C 5 62.620 63.189 -0.569 1
1 51 . 7 1 1 A 5 5 PRO CB C 5 32.300 32.345 -0.045 1
1 54 . 7 1 1 A 6 6 ASN H H 6 6.913 9.010 -2.097 1
1 55 . 7 1 1 A 6 6 ASN HA H 6 4.460 5.095 -0.635 1
1 60 . 7 1 1 A 6 6 ASN C C 6 172.390 175.229 -2.839 1
1 61 . 7 1 1 A 6 6 ASN CA C 6 52.920 52.847 0.073 1
1 62 . 7 1 1 A 6 6 ASN CB C 6 41.920 41.695 0.225 1
1 63 . 7 1 1 A 6 6 ASN N N 6 117.610 120.459 -2.849 1
1 65 . 7 1 1 A 7 7 GLN H H 7 8.465 8.839 -0.374 1
1 66 . 7 1 1 A 7 7 GLN HA H 7 4.164 4.199 -0.035 1
1 73 . 7 1 1 A 7 7 GLN C C 7 175.020 175.697 -0.677 1
1 74 . 7 1 1 A 7 7 GLN CA C 7 58.100 58.011 0.089 1
1 75 . 7 1 1 A 7 7 GLN CB C 7 29.270 28.799 0.471 1
1 77 . 7 1 1 A 7 7 GLN N N 7 116.430 123.416 -6.986 1
1 79 . 7 1 1 A 8 8 THR H H 8 8.374 7.924 0.450 1
1 80 . 7 1 1 A 8 8 THR HA H 8 5.399 5.381 0.018 1
1 85 . 7 1 1 A 8 8 THR C C 8 173.700 174.642 -0.942 1
1 86 . 7 1 1 A 8 8 THR CA C 8 62.380 61.885 0.495 1
1 87 . 7 1 1 A 8 8 THR CB C 8 69.100 71.513 -2.413 1
1 89 . 7 1 1 A 8 8 THR N N 8 118.220 111.938 6.282 1
1 90 . 7 1 1 A 9 9 ILE H H 9 8.794 9.542 -0.748 1
1 91 . 7 1 1 A 9 9 ILE HA H 9 5.085 5.425 -0.340 1
1 101 . 7 1 1 A 9 9 ILE C C 9 173.490 174.176 -0.686 1
1 102 . 7 1 1 A 9 9 ILE CA C 9 59.000 59.474 -0.474 1
1 103 . 7 1 1 A 9 9 ILE CB C 9 39.710 42.082 -2.372 1
1 107 . 7 1 1 A 9 9 ILE N N 9 118.250 122.637 -4.387 1
1 108 . 7 1 1 A 10 10 TYR H H 10 9.384 9.185 0.199 1
1 109 . 7 1 1 A 10 10 TYR HA H 10 5.032 5.148 -0.116 1
1 116 . 7 1 1 A 10 10 TYR C C 10 173.920 173.653 0.267 1
1 117 . 7 1 1 A 10 10 TYR CA C 10 55.240 56.383 -1.143 1
1 118 . 7 1 1 A 10 10 TYR CB C 10 40.700 41.728 -1.028 1
1 123 . 7 1 1 A 10 10 TYR N N 10 124.310 124.079 0.231 1
1 124 . 7 1 1 A 11 11 ILE H H 11 9.000 8.985 0.015 1
1 125 . 7 1 1 A 11 11 ILE HA H 11 4.629 4.250 0.379 1
1 135 . 7 1 1 A 11 11 ILE C C 11 180.280 175.235 5.045 1
1 136 . 7 1 1 A 11 11 ILE CA C 11 60.050 59.893 0.157 1
1 137 . 7 1 1 A 11 11 ILE CB C 11 40.350 39.050 1.300 1
1 141 . 7 1 1 A 11 11 ILE N N 11 126.640 127.710 -1.070 1
1 142 . 7 1 1 A 12 12 ASN H H 12 8.844 9.142 -0.298 1
1 143 . 7 1 1 A 12 12 ASN HA H 12 5.267 4.545 0.722 1
1 148 . 7 1 1 A 12 12 ASN C C 12 174.640 175.018 -0.378 1
1 149 . 7 1 1 A 12 12 ASN CA C 12 50.860 52.450 -1.590 1
1 150 . 7 1 1 A 12 12 ASN CB C 12 41.400 40.424 0.976 1
1 151 . 7 1 1 A 12 12 ASN N N 12 123.520 126.088 -2.568 1
1 153 . 7 1 1 A 13 13 ASN H H 13 8.689 7.896 0.793 1
1 154 . 7 1 1 A 13 13 ASN HA H 13 4.456 4.954 -0.498 1
1 159 . 7 1 1 A 13 13 ASN C C 13 176.140 174.139 2.001 1
1 160 . 7 1 1 A 13 13 ASN CA C 13 53.920 51.954 1.966 1
1 161 . 7 1 1 A 13 13 ASN CB C 13 39.360 39.574 -0.214 1
1 162 . 7 1 1 A 13 13 ASN N N 13 115.910 118.802 -2.892 1
1 164 . 7 1 1 A 14 14 LEU H H 14 8.221 7.568 0.653 1
1 165 . 7 1 1 A 14 14 LEU HA H 14 4.350 4.302 0.048 1
1 175 . 7 1 1 A 14 14 LEU C C 14 177.880 176.266 1.614 1
1 176 . 7 1 1 A 14 14 LEU CA C 14 54.000 55.431 -1.431 1
1 177 . 7 1 1 A 14 14 LEU CB C 14 42.830 43.186 -0.356 1
1 181 . 7 1 1 A 14 14 LEU N N 14 116.310 123.633 -7.323 1
1 182 . 7 1 1 A 15 15 ASN H H 15 9.226 8.656 0.570 1
1 183 . 7 1 1 A 15 15 ASN HA H 15 4.225 4.822 -0.597 1
1 188 . 7 1 1 A 15 15 ASN C C 15 176.150 176.780 -0.630 1
1 189 . 7 1 1 A 15 15 ASN CA C 15 54.210 53.199 1.011 1
1 190 . 7 1 1 A 15 15 ASN CB C 15 38.050 39.273 -1.223 1
1 191 . 7 1 1 A 15 15 ASN N N 15 120.300 123.705 -3.405 1
1 193 . 7 1 1 A 16 16 GLU H H 16 9.234 8.753 0.481 1
1 194 . 7 1 1 A 16 16 GLU HA H 16 4.110 4.049 0.061 1
1 199 . 7 1 1 A 16 16 GLU C C 16 176.510 177.896 -1.386 1
1 200 . 7 1 1 A 16 16 GLU CA C 16 57.800 58.478 -0.678 1
1 201 . 7 1 1 A 16 16 GLU CB C 16 29.300 29.044 0.256 1
1 203 . 7 1 1 A 16 16 GLU N N 16 128.160 125.874 2.286 1
1 204 . 7 1 1 A 17 17 LYS H H 17 8.421 8.192 0.229 1
1 205 . 7 1 1 A 17 17 LYS HA H 17 4.170 4.131 0.039 1
1 214 . 7 1 1 A 17 17 LYS C C 17 176.700 177.006 -0.306 1
1 215 . 7 1 1 A 17 17 LYS CA C 17 56.750 58.703 -1.953 1
1 216 . 7 1 1 A 17 17 LYS CB C 17 32.370 32.091 0.279 1
1 220 . 7 1 1 A 17 17 LYS N N 17 118.450 117.951 0.499 1
1 221 . 7 1 1 A 18 18 ILE H H 18 6.751 7.299 -0.548 1
1 222 . 7 1 1 A 18 18 ILE HA H 18 3.830 3.804 0.026 1
1 232 . 7 1 1 A 18 18 ILE C C 18 176.560 176.105 0.455 1
1 233 . 7 1 1 A 18 18 ILE CA C 18 58.640 62.113 -3.473 1
1 234 . 7 1 1 A 18 18 ILE CB C 18 35.940 37.760 -1.820 1
1 238 . 7 1 1 A 18 18 ILE N N 18 118.790 122.212 -3.422 1
1 239 . 7 1 1 A 19 19 LYS H H 19 8.815 8.180 0.635 1
1 240 . 7 1 1 A 19 19 LYS HA H 19 4.189 4.255 -0.066 1
1 249 . 7 1 1 A 19 19 LYS C C 19 178.340 177.688 0.652 1
1 250 . 7 1 1 A 19 19 LYS CA C 19 57.250 56.259 0.991 1
1 251 . 7 1 1 A 19 19 LYS CB C 19 32.800 33.826 -1.026 1
1 255 . 7 1 1 A 19 19 LYS N N 19 129.030 128.149 0.881 1
1 256 . 7 1 1 A 20 20 LYS H H 20 9.032 9.043 -0.011 1
1 257 . 7 1 1 A 20 20 LYS HA H 20 3.854 3.877 -0.023 1
1 266 . 7 1 1 A 20 20 LYS C C 20 178.390 177.885 0.505 1
1 267 . 7 1 1 A 20 20 LYS CA C 20 59.740 60.465 -0.725 1
1 268 . 7 1 1 A 20 20 LYS CB C 20 31.390 32.087 -0.697 1
1 272 . 7 1 1 A 20 20 LYS N N 20 123.440 127.067 -3.627 1
1 273 . 7 1 1 A 21 21 GLU H H 21 9.341 8.029 1.312 1
1 274 . 7 1 1 A 21 21 GLU HA H 21 4.074 4.086 -0.012 1
1 279 . 7 1 1 A 21 21 GLU C C 21 179.120 179.298 -0.178 1
1 280 . 7 1 1 A 21 21 GLU CA C 21 60.270 59.372 0.898 1
1 281 . 7 1 1 A 21 21 GLU CB C 21 28.840 29.053 -0.213 1
1 283 . 7 1 1 A 21 21 GLU N N 21 117.890 118.181 -0.291 1
1 284 . 7 1 1 A 22 22 GLU H H 22 6.994 7.977 -0.983 1
1 285 . 7 1 1 A 22 22 GLU HA H 22 4.166 4.109 0.057 1
1 290 . 7 1 1 A 22 22 GLU C C 22 178.200 179.123 -0.923 1
1 291 . 7 1 1 A 22 22 GLU CA C 22 58.530 59.069 -0.539 1
1 292 . 7 1 1 A 22 22 GLU CB C 22 29.180 29.561 -0.381 1
1 294 . 7 1 1 A 22 22 GLU N N 22 119.810 120.441 -0.631 1
1 295 . 7 1 1 A 23 23 LEU H H 23 8.462 8.452 0.010 1
1 296 . 7 1 1 A 23 23 LEU HA H 23 3.981 4.224 -0.243 1
1 306 . 7 1 1 A 23 23 LEU C C 23 178.780 178.443 0.337 1
1 307 . 7 1 1 A 23 23 LEU CA C 23 58.840 58.345 0.495 1
1 308 . 7 1 1 A 23 23 LEU CB C 23 42.420 42.019 0.401 1
1 312 . 7 1 1 A 23 23 LEU N N 23 121.220 122.256 -1.036 1
1 313 . 7 1 1 A 24 24 LYS H H 24 8.411 8.520 -0.109 1
1 314 . 7 1 1 A 24 24 LYS HA H 24 3.808 4.012 -0.204 1
1 323 . 7 1 1 A 24 24 LYS C C 24 178.200 178.905 -0.705 1
1 324 . 7 1 1 A 24 24 LYS CA C 24 61.500 59.651 1.849 1
1 325 . 7 1 1 A 24 24 LYS CB C 24 32.500 32.464 0.036 1
1 329 . 7 1 1 A 24 24 LYS N N 24 116.620 118.963 -2.343 1
1 330 . 7 1 1 A 25 25 LYS H H 25 7.592 8.222 -0.630 1
1 331 . 7 1 1 A 25 25 LYS HA H 25 4.181 4.144 0.037 1
1 340 . 7 1 1 A 25 25 LYS C C 25 180.280 179.146 1.134 1
1 341 . 7 1 1 A 25 25 LYS CA C 25 60.140 59.362 0.778 1
1 342 . 7 1 1 A 25 25 LYS CB C 25 32.690 32.273 0.417 1
1 346 . 7 1 1 A 25 25 LYS N N 25 118.830 119.847 -1.017 1
1 347 . 7 1 1 A 26 26 SER H H 26 8.845 8.449 0.396 1
1 348 . 7 1 1 A 26 26 SER HA H 26 4.570 4.155 0.415 1
1 351 . 7 1 1 A 26 26 SER C C 26 176.880 176.384 0.496 1
1 352 . 7 1 1 A 26 26 SER CA C 26 62.210 62.603 -0.393 1
1 353 . 7 1 1 A 26 26 SER CB C 26 63.320 62.977 0.343 1
1 354 . 7 1 1 A 26 26 SER N N 26 117.880 117.383 0.497 1
1 355 . 7 1 1 A 27 27 LEU H H 27 9.040 8.567 0.473 1
1 356 . 7 1 1 A 27 27 LEU HA H 27 4.190 4.109 0.081 1
1 366 . 7 1 1 A 27 27 LEU C C 27 179.100 178.939 0.161 1
1 367 . 7 1 1 A 27 27 LEU CA C 27 57.960 57.815 0.145 1
1 368 . 7 1 1 A 27 27 LEU CB C 27 43.030 42.032 0.998 1
1 372 . 7 1 1 A 27 27 LEU N N 27 122.840 121.126 1.714 1
1 373 . 7 1 1 A 28 28 TYR H H 28 8.535 8.613 -0.078 1
1 374 . 7 1 1 A 28 28 TYR HA H 28 3.826 4.154 -0.328 1
1 379 . 7 1 1 A 28 28 TYR C C 28 178.360 178.283 0.077 1
1 380 . 7 1 1 A 28 28 TYR CA C 28 63.220 62.215 1.005 1
1 381 . 7 1 1 A 28 28 TYR CB C 28 38.320 38.730 -0.410 1
1 384 . 7 1 1 A 28 28 TYR N N 28 121.030 119.307 1.723 1
1 385 . 7 1 1 A 29 29 ALA H H 29 8.009 8.388 -0.379 1
1 386 . 7 1 1 A 29 29 ALA HA H 29 3.364 4.155 -0.791 1
1 390 . 7 1 1 A 29 29 ALA CA C 29 55.420 54.896 0.524 1
1 391 . 7 1 1 A 29 29 ALA CB C 29 18.920 19.073 -0.153 1
1 392 . 7 1 1 A 29 29 ALA N N 29 120.570 121.519 -0.949 1
1 393 . 7 1 1 A 30 30 ILE HA H 30 4.048 4.386 -0.338 1
1 403 . 7 1 1 A 30 30 ILE C C 30 177.270 177.737 -0.467 1
1 404 . 7 1 1 A 30 30 ILE CA C 30 63.380 61.702 1.678 1
1 405 . 7 1 1 A 30 30 ILE CB C 30 38.850 39.635 -0.785 1
1 409 . 7 1 1 A 31 31 PHE H H 31 8.446 8.484 -0.038 1
1 410 . 7 1 1 A 31 31 PHE HA H 31 4.900 4.522 0.378 1
1 415 . 7 1 1 A 31 31 PHE C C 31 177.820 178.111 -0.291 1
1 416 . 7 1 1 A 31 31 PHE CA C 31 62.380 60.326 2.054 1
1 417 . 7 1 1 A 31 31 PHE CB C 31 38.900 38.153 0.747 1
1 418 . 7 1 1 A 31 31 PHE N N 31 115.770 121.967 -6.197 1
1 419 . 7 1 1 A 32 32 SER H H 32 8.392 7.944 0.448 1
1 420 . 7 1 1 A 32 32 SER HA H 32 4.365 4.384 -0.019 1
1 423 . 7 1 1 A 32 32 SER C C 32 176.140 176.307 -0.167 1
1 424 . 7 1 1 A 32 32 SER CA C 32 61.680 62.165 -0.485 1
1 425 . 7 1 1 A 32 32 SER CB C 32 62.460 62.910 -0.450 1
1 426 . 7 1 1 A 32 32 SER N N 32 116.890 115.735 1.155 1
1 427 . 7 1 1 A 33 33 GLN H H 33 7.310 7.896 -0.586 1
1 428 . 7 1 1 A 33 33 GLN HA H 33 4.059 3.906 0.153 1
1 435 . 7 1 1 A 33 33 GLN C C 33 176.330 176.567 -0.237 1
1 436 . 7 1 1 A 33 33 GLN CA C 33 57.220 57.977 -0.757 1
1 437 . 7 1 1 A 33 33 GLN CB C 33 28.040 28.383 -0.343 1
1 439 . 7 1 1 A 33 33 GLN N N 33 117.530 120.120 -2.590 1
1 441 . 7 1 1 A 34 34 PHE H H 34 7.626 7.781 -0.155 1
1 442 . 7 1 1 A 34 34 PHE HA H 34 4.435 4.690 -0.255 1
1 447 . 7 1 1 A 34 34 PHE C C 34 175.590 176.140 -0.550 1
1 448 . 7 1 1 A 34 34 PHE CA C 34 59.410 58.627 0.783 1
1 449 . 7 1 1 A 34 34 PHE CB C 34 39.380 41.384 -2.004 1
1 452 . 7 1 1 A 34 34 PHE N N 34 116.090 114.186 1.904 1
1 453 . 7 1 1 A 35 35 GLY H H 35 7.595 7.912 -0.317 1
1 454 . 7 1 1 A 35 35 GLY HA2 H 35 3.960 4.106 -0.146 1
1 455 . 7 1 1 A 35 35 GLY HA3 H 35 4.612 4.185 0.427 1
1 456 . 7 1 1 A 35 35 GLY C C 35 170.890 173.200 -2.310 1
1 457 . 7 1 1 A 35 35 GLY CA C 35 44.160 45.040 -0.880 1
1 458 . 7 1 1 A 35 35 GLY N N 35 107.470 104.058 3.412 1
1 459 . 7 1 1 A 36 36 GLN H H 36 8.404 8.657 -0.253 1
1 460 . 7 1 1 A 36 36 GLN HA H 36 4.275 4.336 -0.061 1
1 467 . 7 1 1 A 36 36 GLN C C 36 176.650 176.198 0.452 1
1 468 . 7 1 1 A 36 36 GLN CA C 36 57.180 56.574 0.606 1
1 469 . 7 1 1 A 36 36 GLN CB C 36 29.360 29.101 0.259 1
1 471 . 7 1 1 A 36 36 GLN N N 36 116.620 124.364 -7.744 1
1 473 . 7 1 1 A 37 37 ILE H H 37 9.009 8.831 0.178 1
1 474 . 7 1 1 A 37 37 ILE HA H 37 4.068 3.818 0.250 1
1 484 . 7 1 1 A 37 37 ILE C C 37 176.530 175.894 0.636 1
1 485 . 7 1 1 A 37 37 ILE CA C 37 61.270 62.395 -1.125 1
1 486 . 7 1 1 A 37 37 ILE CB C 37 40.600 38.075 2.525 1
1 490 . 7 1 1 A 37 37 ILE N N 37 129.370 127.476 1.894 1
1 491 . 7 1 1 A 38 38 LEU H H 38 9.472 9.231 0.241 1
1 492 . 7 1 1 A 38 38 LEU HA H 38 4.291 4.538 -0.247 1
1 502 . 7 1 1 A 38 38 LEU C C 38 176.900 175.403 1.497 1
1 503 . 7 1 1 A 38 38 LEU CA C 38 56.520 55.898 0.622 1
1 504 . 7 1 1 A 38 38 LEU CB C 38 42.030 45.173 -3.143 1
1 508 . 7 1 1 A 38 38 LEU N N 38 128.180 128.565 -0.385 1
1 509 . 7 1 1 A 39 39 ASP H H 39 7.493 7.648 -0.155 1
1 510 . 7 1 1 A 39 39 ASP HA H 39 4.715 4.953 -0.238 1
1 513 . 7 1 1 A 39 39 ASP C C 39 173.560 173.770 -0.210 1
1 514 . 7 1 1 A 39 39 ASP CA C 39 53.510 53.472 0.038 1
1 515 . 7 1 1 A 39 39 ASP CB C 39 44.160 43.814 0.346 1
1 516 . 7 1 1 A 39 39 ASP N N 39 114.640 117.299 -2.659 1
1 517 . 7 1 1 A 40 40 ILE H H 40 8.537 8.530 0.007 1
1 518 . 7 1 1 A 40 40 ILE HA H 40 4.722 4.830 -0.108 1
1 528 . 7 1 1 A 40 40 ILE C C 40 174.090 174.816 -0.726 1
1 529 . 7 1 1 A 40 40 ILE CA C 40 61.060 59.925 1.135 1
1 530 . 7 1 1 A 40 40 ILE CB C 40 41.220 42.359 -1.139 1
1 534 . 7 1 1 A 40 40 ILE N N 40 119.670 122.110 -2.440 1
1 535 . 7 1 1 A 41 41 VAL H H 41 8.807 8.823 -0.016 1
1 536 . 7 1 1 A 41 41 VAL HA H 41 4.195 4.912 -0.717 1
1 544 . 7 1 1 A 41 41 VAL C C 41 174.470 174.638 -0.168 1
1 545 . 7 1 1 A 41 41 VAL CA C 41 61.020 60.894 0.126 1
1 546 . 7 1 1 A 41 41 VAL CB C 41 34.160 34.765 -0.605 1
1 549 . 7 1 1 A 41 41 VAL N N 41 127.000 125.983 1.017 1
1 550 . 7 1 1 A 42 42 ALA H H 42 8.708 8.800 -0.092 1
1 551 . 7 1 1 A 42 42 ALA HA H 42 4.796 5.058 -0.262 1
1 555 . 7 1 1 A 42 42 ALA C C 42 175.210 175.476 -0.266 1
1 556 . 7 1 1 A 42 42 ALA CA C 42 51.430 51.245 0.185 1
1 557 . 7 1 1 A 42 42 ALA CB C 42 19.780 24.183 -4.403 1
1 558 . 7 1 1 A 42 42 ALA N N 42 130.100 128.258 1.842 1
1 559 . 7 1 1 A 43 43 LEU H H 43 8.224 9.060 -0.836 1
1 560 . 7 1 1 A 43 43 LEU HA H 43 4.575 4.908 -0.333 1
1 570 . 7 1 1 A 43 43 LEU CA C 43 54.620 53.466 1.154 1
1 571 . 7 1 1 A 43 43 LEU CB C 43 43.640 46.128 -2.488 1
1 575 . 7 1 1 A 43 43 LEU N N 43 122.270 119.035 3.235 1
1 576 . 7 1 1 A 44 44 LYS HA H 44 4.570 4.144 0.426 1
1 585 . 7 1 1 A 44 44 LYS CA C 44 56.000 58.423 -2.423 1
1 586 . 7 1 1 A 44 44 LYS CB C 44 32.940 32.665 0.275 1
1 590 . 7 1 1 A 45 45 THR H H 45 7.706 7.508 0.198 1
1 591 . 7 1 1 A 45 45 THR HA H 45 4.494 4.211 0.283 1
1 596 . 7 1 1 A 45 45 THR CA C 45 60.500 64.416 -3.916 1
1 597 . 7 1 1 A 45 45 THR CB C 45 70.450 69.274 1.176 1
1 599 . 7 1 1 A 45 45 THR N N 45 113.650 114.700 -1.050 1
1 600 . 7 1 1 A 46 46 LEU HA H 46 4.142 3.995 0.147 1
1 610 . 7 1 1 A 46 46 LEU C C 46 179.030 177.911 1.119 1
1 611 . 7 1 1 A 46 46 LEU CA C 46 57.630 58.744 -1.114 1
1 612 . 7 1 1 A 46 46 LEU CB C 46 42.020 41.573 0.447 1
1 616 . 7 1 1 A 47 47 LYS H H 47 8.325 7.959 0.366 1
1 617 . 7 1 1 A 47 47 LYS HA H 47 4.139 4.105 0.034 1
1 626 . 7 1 1 A 47 47 LYS C C 47 176.700 177.552 -0.852 1
1 627 . 7 1 1 A 47 47 LYS CA C 47 57.800 58.581 -0.781 1
1 628 . 7 1 1 A 47 47 LYS CB C 47 32.440 32.244 0.196 1
1 632 . 7 1 1 A 47 47 LYS N N 47 116.870 119.233 -2.363 1
1 633 . 7 1 1 A 48 48 MET H H 48 7.649 7.891 -0.242 1
1 634 . 7 1 1 A 48 48 MET HA H 48 4.581 4.833 -0.252 1
1 642 . 7 1 1 A 48 48 MET C C 48 175.550 176.569 -1.019 1
1 643 . 7 1 1 A 48 48 MET CA C 48 54.970 55.167 -0.197 1
1 644 . 7 1 1 A 48 48 MET CB C 48 32.770 33.862 -1.092 1
1 647 . 7 1 1 A 48 48 MET N N 48 116.090 116.282 -0.192 1
1 648 . 7 1 1 A 49 49 ARG H H 49 7.653 8.403 -0.750 1
1 649 . 7 1 1 A 49 49 ARG HA H 49 4.377 4.617 -0.240 1
1 656 . 7 1 1 A 49 49 ARG C C 49 177.450 177.925 -0.475 1
1 657 . 7 1 1 A 49 49 ARG CA C 49 57.250 56.843 0.407 1
1 658 . 7 1 1 A 49 49 ARG CB C 49 30.400 32.520 -2.120 1
1 661 . 7 1 1 A 49 49 ARG N N 49 119.580 120.765 -1.185 1
1 662 . 7 1 1 A 50 50 GLY H H 50 9.177 8.255 0.922 1
1 663 . 7 1 1 A 50 50 GLY HA2 H 50 3.960 3.929 0.031 1
1 664 . 7 1 1 A 50 50 GLY HA3 H 50 4.107 3.944 0.163 1
1 665 . 7 1 1 A 50 50 GLY C C 50 172.960 173.700 -0.740 1
1 666 . 7 1 1 A 50 50 GLY CA C 50 46.140 45.343 0.797 1
1 667 . 7 1 1 A 50 50 GLY N N 50 111.640 107.125 4.515 1
1 668 . 7 1 1 A 51 51 GLN H H 51 7.853 7.567 0.286 1
1 669 . 7 1 1 A 51 51 GLN HA H 51 5.516 4.809 0.707 1
1 675 . 7 1 1 A 51 51 GLN C C 51 174.800 174.165 0.635 1
1 676 . 7 1 1 A 51 51 GLN CA C 51 54.160 53.706 0.454 1
1 677 . 7 1 1 A 51 51 GLN CB C 51 34.330 33.301 1.029 1
1 679 . 7 1 1 A 51 51 GLN N N 51 117.000 118.264 -1.264 1
1 681 . 7 1 1 A 52 52 ALA H H 52 8.765 8.256 0.509 1
1 682 . 7 1 1 A 52 52 ALA HA H 52 5.098 4.968 0.130 1
1 686 . 7 1 1 A 52 52 ALA C C 52 174.820 175.561 -0.741 1
1 687 . 7 1 1 A 52 52 ALA CA C 52 51.170 51.220 -0.050 1
1 688 . 7 1 1 A 52 52 ALA CB C 52 23.350 23.752 -0.402 1
1 689 . 7 1 1 A 52 52 ALA N N 52 121.050 120.933 0.117 1
1 690 . 7 1 1 A 53 53 PHE H H 53 8.840 8.957 -0.117 1
1 691 . 7 1 1 A 53 53 PHE HA H 53 5.615 5.699 -0.084 1
1 696 . 7 1 1 A 53 53 PHE C C 53 174.870 174.654 0.216 1
1 697 . 7 1 1 A 53 53 PHE CA C 53 55.770 56.737 -0.967 1
1 698 . 7 1 1 A 53 53 PHE CB C 53 41.530 44.025 -2.495 1
1 701 . 7 1 1 A 53 53 PHE N N 53 115.860 116.720 -0.860 1
1 702 . 7 1 1 A 54 54 VAL H H 54 8.766 8.732 0.034 1
1 703 . 7 1 1 A 54 54 VAL HA H 54 4.169 4.705 -0.536 1
1 711 . 7 1 1 A 54 54 VAL C C 54 173.330 173.464 -0.134 1
1 712 . 7 1 1 A 54 54 VAL CA C 54 61.920 60.147 1.773 1
1 713 . 7 1 1 A 54 54 VAL CB C 54 32.860 35.521 -2.661 1
1 716 . 7 1 1 A 54 54 VAL N N 54 121.920 119.140 2.780 1
1 717 . 7 1 1 A 55 55 ILE H H 55 8.319 9.035 -0.716 1
1 718 . 7 1 1 A 55 55 ILE HA H 55 4.512 5.388 -0.876 1
1 728 . 7 1 1 A 55 55 ILE C C 55 173.920 174.699 -0.779 1
1 729 . 7 1 1 A 55 55 ILE CA C 55 60.880 59.917 0.963 1
1 730 . 7 1 1 A 55 55 ILE CB C 55 39.130 40.182 -1.052 1
1 734 . 7 1 1 A 55 55 ILE N N 55 126.350 127.611 -1.261 1
1 735 . 7 1 1 A 56 56 PHE H H 56 9.009 8.983 0.026 1
1 736 . 7 1 1 A 56 56 PHE HA H 56 4.889 4.938 -0.049 1
1 741 . 7 1 1 A 56 56 PHE C C 56 175.180 176.296 -1.116 1
1 742 . 7 1 1 A 56 56 PHE CA C 56 59.030 56.985 2.045 1
1 743 . 7 1 1 A 56 56 PHE CB C 56 40.320 43.160 -2.840 1
1 744 . 7 1 1 A 56 56 PHE N N 56 126.440 125.220 1.220 1
1 745 . 7 1 1 A 57 57 LYS H H 57 8.191 8.718 -0.527 1
1 746 . 7 1 1 A 57 57 LYS HA H 57 3.969 4.160 -0.191 1
1 755 . 7 1 1 A 57 57 LYS C C 57 176.140 176.504 -0.364 1
1 756 . 7 1 1 A 57 57 LYS CA C 57 59.290 58.533 0.757 1
1 757 . 7 1 1 A 57 57 LYS CB C 57 33.850 32.834 1.016 1
1 761 . 7 1 1 A 57 57 LYS N N 57 119.130 121.200 -2.070 1
1 762 . 7 1 1 A 58 58 GLU H H 58 8.614 7.904 0.710 1
1 763 . 7 1 1 A 58 58 GLU HA H 58 4.850 4.708 0.142 1
1 768 . 7 1 1 A 58 58 GLU C C 58 177.130 176.166 0.964 1
1 769 . 7 1 1 A 58 58 GLU CA C 58 54.130 55.671 -1.541 1
1 770 . 7 1 1 A 58 58 GLU CB C 58 32.230 33.104 -0.874 1
1 772 . 7 1 1 A 58 58 GLU N N 58 114.350 116.957 -2.607 1
1 773 . 7 1 1 A 59 59 ILE H H 59 8.825 8.663 0.162 1
1 774 . 7 1 1 A 59 59 ILE HA H 59 3.499 3.844 -0.345 1
1 784 . 7 1 1 A 59 59 ILE C C 59 177.650 178.132 -0.482 1
1 785 . 7 1 1 A 59 59 ILE CA C 59 65.660 64.300 1.360 1
1 786 . 7 1 1 A 59 59 ILE CB C 59 38.040 37.691 0.349 1
1 790 . 7 1 1 A 59 59 ILE N N 59 122.940 123.580 -0.640 1
1 791 . 7 1 1 A 60 60 GLY H H 60 8.875 8.486 0.389 1
1 792 . 7 1 1 A 60 60 GLY HA2 H 60 3.780 3.815 -0.035 1
1 793 . 7 1 1 A 60 60 GLY HA3 H 60 3.925 3.824 0.101 1
1 794 . 7 1 1 A 60 60 GLY C C 60 176.700 176.435 0.265 1
1 795 . 7 1 1 A 60 60 GLY CA C 60 47.070 47.533 -0.463 1
1 796 . 7 1 1 A 60 60 GLY N N 60 106.980 111.088 -4.108 1
1 797 . 7 1 1 A 61 61 SER H H 61 6.973 7.959 -0.986 1
1 798 . 7 1 1 A 61 61 SER HA H 61 4.141 4.290 -0.149 1
1 801 . 7 1 1 A 61 61 SER C C 61 174.060 176.163 -2.103 1
1 802 . 7 1 1 A 61 61 SER CA C 61 61.870 62.611 -0.741 1
1 803 . 7 1 1 A 61 61 SER CB C 61 63.150 62.904 0.246 1
1 804 . 7 1 1 A 61 61 SER N N 61 116.200 119.354 -3.154 1
1 805 . 7 1 1 A 62 62 ALA H H 62 6.786 8.274 -1.488 1
1 806 . 7 1 1 A 62 62 ALA HA H 62 3.370 3.015 0.355 1
1 810 . 7 1 1 A 62 62 ALA C C 62 178.960 179.064 -0.104 1
1 811 . 7 1 1 A 62 62 ALA CA C 62 55.370 54.868 0.502 1
1 812 . 7 1 1 A 62 62 ALA CB C 62 19.030 18.182 0.848 1
1 813 . 7 1 1 A 62 62 ALA N N 62 123.660 123.750 -0.090 1
1 814 . 7 1 1 A 63 63 SER H H 63 8.379 8.140 0.239 1
1 815 . 7 1 1 A 63 63 SER HA H 63 4.551 4.151 0.400 1
1 818 . 7 1 1 A 63 63 SER C C 63 177.040 176.006 1.034 1
1 819 . 7 1 1 A 63 63 SER CA C 63 61.000 61.776 -0.776 1
1 820 . 7 1 1 A 63 63 SER CB C 63 63.090 62.861 0.229 1
1 821 . 7 1 1 A 63 63 SER N N 63 111.560 112.788 -1.228 1
1 822 . 7 1 1 A 64 64 ASN H H 64 7.737 8.347 -0.610 1
1 823 . 7 1 1 A 64 64 ASN HA H 64 4.434 4.398 0.036 1
1 828 . 7 1 1 A 64 64 ASN C C 64 177.490 177.121 0.369 1
1 829 . 7 1 1 A 64 64 ASN CA C 64 55.410 56.266 -0.856 1
1 830 . 7 1 1 A 64 64 ASN CB C 64 37.930 38.847 -0.917 1
1 831 . 7 1 1 A 64 64 ASN N N 64 120.200 120.218 -0.018 1
1 833 . 7 1 1 A 65 65 ALA H H 65 8.085 8.038 0.047 1
1 834 . 7 1 1 A 65 65 ALA HA H 65 4.864 3.973 0.891 1
1 838 . 7 1 1 A 65 65 ALA C C 65 178.180 179.348 -1.168 1
1 839 . 7 1 1 A 65 65 ALA CA C 65 54.700 54.987 -0.287 1
1 840 . 7 1 1 A 65 65 ALA CB C 65 19.950 18.248 1.702 1
1 841 . 7 1 1 A 65 65 ALA N N 65 125.150 121.832 3.318 1
1 842 . 7 1 1 A 66 66 LEU H H 66 8.083 8.082 0.001 1
1 843 . 7 1 1 A 66 66 LEU HA H 66 3.560 4.067 -0.507 1
1 853 . 7 1 1 A 66 66 LEU C C 66 177.650 178.383 -0.733 1
1 854 . 7 1 1 A 66 66 LEU CA C 66 59.540 58.163 1.377 1
1 855 . 7 1 1 A 66 66 LEU CB C 66 42.020 41.459 0.561 1
1 859 . 7 1 1 A 66 66 LEU N N 66 118.670 119.573 -0.903 1
1 860 . 7 1 1 A 67 67 ARG H H 67 7.620 8.401 -0.781 1
1 861 . 7 1 1 A 67 67 ARG HA H 67 3.939 3.951 -0.012 1
1 868 . 7 1 1 A 67 67 ARG C C 67 178.960 178.954 0.006 1
1 869 . 7 1 1 A 67 67 ARG CA C 67 58.860 59.581 -0.721 1
1 870 . 7 1 1 A 67 67 ARG CB C 67 30.570 29.925 0.645 1
1 873 . 7 1 1 A 67 67 ARG N N 67 114.570 117.791 -3.221 1
1 874 . 7 1 1 A 68 68 THR H H 68 7.850 8.025 -0.175 1
1 875 . 7 1 1 A 68 68 THR HA H 68 4.040 3.694 0.346 1
1 880 . 7 1 1 A 68 68 THR C C 68 175.960 175.673 0.287 1
1 881 . 7 1 1 A 68 68 THR CA C 68 66.160 66.491 -0.331 1
1 882 . 7 1 1 A 68 68 THR CB C 68 69.260 67.825 1.435 1
1 884 . 7 1 1 A 68 68 THR N N 68 112.630 118.490 -5.860 1
1 885 . 7 1 1 A 69 69 MET H H 69 7.934 7.860 0.074 1
1 886 . 7 1 1 A 69 69 MET HA H 69 4.734 4.295 0.439 1
1 894 . 7 1 1 A 69 69 MET C C 69 175.820 176.191 -0.371 1
1 895 . 7 1 1 A 69 69 MET CA C 69 53.560 54.995 -1.435 1
1 896 . 7 1 1 A 69 69 MET CB C 69 29.730 32.003 -2.273 1
1 899 . 7 1 1 A 69 69 MET N N 69 115.080 116.042 -0.962 1
1 900 . 7 1 1 A 70 70 GLN H H 70 7.003 7.413 -0.410 1
1 901 . 7 1 1 A 70 70 GLN HA H 70 4.043 4.092 -0.049 1
1 908 . 7 1 1 A 70 70 GLN C C 70 178.020 177.057 0.963 1
1 909 . 7 1 1 A 70 70 GLN CA C 70 57.710 58.222 -0.512 1
1 910 . 7 1 1 A 70 70 GLN CB C 70 30.080 28.521 1.559 1
1 912 . 7 1 1 A 70 70 GLN N N 70 120.730 119.699 1.031 1
1 914 . 7 1 1 A 71 71 GLY H H 71 8.693 8.809 -0.116 1
1 915 . 7 1 1 A 71 71 GLY HA2 H 71 4.230 3.937 0.293 1
1 916 . 7 1 1 A 71 71 GLY HA3 H 71 3.817 3.946 -0.129 1
1 917 . 7 1 1 A 71 71 GLY C C 71 173.290 174.303 -1.013 1
1 918 . 7 1 1 A 71 71 GLY CA C 71 45.960 45.675 0.285 1
1 919 . 7 1 1 A 71 71 GLY N N 71 118.750 113.112 5.638 1
1 920 . 7 1 1 A 72 72 PHE H H 72 8.426 8.149 0.277 1
1 921 . 7 1 1 A 72 72 PHE HA H 72 4.641 4.539 0.102 1
1 926 . 7 1 1 A 72 72 PHE CA C 72 56.830 57.151 -0.321 1
1 927 . 7 1 1 A 72 72 PHE CB C 72 40.650 39.996 0.654 1
1 928 . 7 1 1 A 72 72 PHE N N 72 124.640 121.972 2.668 1
1 929 . 7 1 1 A 73 73 PRO HA H 73 4.052 4.692 -0.640 1
1 934 . 7 1 1 A 73 73 PRO C C 73 174.500 176.436 -1.936 1
1 935 . 7 1 1 A 73 73 PRO CA C 73 62.460 62.095 0.365 1
1 936 . 7 1 1 A 73 73 PRO CB C 73 30.700 28.833 1.867 1
1 939 . 7 1 1 A 74 74 PHE H H 74 8.382 8.617 -0.235 1
1 940 . 7 1 1 A 74 74 PHE HA H 74 4.235 4.445 -0.210 1
1 945 . 7 1 1 A 74 74 PHE C C 74 175.590 174.629 0.961 1
1 946 . 7 1 1 A 74 74 PHE CA C 74 56.440 61.798 -5.358 1
1 947 . 7 1 1 A 74 74 PHE CB C 74 42.540 39.895 2.645 1
1 950 . 7 1 1 A 74 74 PHE N N 74 128.220 123.252 4.968 1
1 951 . 7 1 1 A 75 75 TYR H H 75 9.185 7.903 1.282 1
1 952 . 7 1 1 A 75 75 TYR HA H 75 3.764 4.935 -1.171 1
1 957 . 7 1 1 A 75 75 TYR C C 75 175.210 175.253 -0.043 1
1 958 . 7 1 1 A 75 75 TYR CA C 75 60.780 57.019 3.761 1
1 959 . 7 1 1 A 75 75 TYR CB C 75 36.110 42.497 -6.387 1
1 962 . 7 1 1 A 75 75 TYR N N 75 128.090 115.426 12.664 1
1 963 . 7 1 1 A 76 76 ASP H H 76 8.306 9.042 -0.736 1
1 964 . 7 1 1 A 76 76 ASP HA H 76 4.075 4.722 -0.647 1
1 967 . 7 1 1 A 76 76 ASP C C 76 175.390 175.554 -0.164 1
1 968 . 7 1 1 A 76 76 ASP CA C 76 56.360 54.670 1.690 1
1 969 . 7 1 1 A 76 76 ASP CB C 76 40.510 40.645 -0.135 1
1 970 . 7 1 1 A 76 76 ASP N N 76 107.370 121.902 -14.532 1
1 971 . 7 1 1 A 77 77 LYS H H 77 7.687 7.757 -0.070 1
1 972 . 7 1 1 A 77 77 LYS HA H 77 5.020 4.809 0.211 1
1 981 . 7 1 1 A 77 77 LYS CA C 77 53.450 52.794 0.656 1
1 982 . 7 1 1 A 77 77 LYS CB C 77 34.800 34.326 0.474 1
1 986 . 7 1 1 A 77 77 LYS N N 77 118.880 119.318 -0.438 1
1 987 . 7 1 1 A 78 78 PRO HA H 78 4.240 4.524 -0.284 1
1 994 . 7 1 1 A 78 78 PRO C C 78 177.470 177.098 0.372 1
1 995 . 7 1 1 A 78 78 PRO CA C 78 62.310 62.834 -0.524 1
1 996 . 7 1 1 A 78 78 PRO CB C 78 31.690 32.310 -0.620 1
1 999 . 7 1 1 A 79 79 MET H H 79 8.696 8.562 0.134 1
1 1000 . 7 1 1 A 79 79 MET HA H 79 4.289 4.604 -0.315 1
1 1008 . 7 1 1 A 79 79 MET C C 79 175.960 176.163 -0.203 1
1 1009 . 7 1 1 A 79 79 MET CA C 79 58.600 56.334 2.266 1
1 1010 . 7 1 1 A 79 79 MET CB C 79 35.200 33.663 1.537 1
1 1013 . 7 1 1 A 79 79 MET N N 79 126.540 121.952 4.588 1
1 1014 . 7 1 1 A 80 80 GLN H H 80 7.779 8.510 -0.731 1
1 1015 . 7 1 1 A 80 80 GLN HA H 80 4.855 5.330 -0.475 1
1 1022 . 7 1 1 A 80 80 GLN C C 80 174.820 174.731 0.089 1
1 1023 . 7 1 1 A 80 80 GLN CA C 80 54.550 54.356 0.194 1
1 1024 . 7 1 1 A 80 80 GLN CB C 80 29.320 32.188 -2.868 1
1 1026 . 7 1 1 A 80 80 GLN N N 80 122.810 119.152 3.658 1
1 1028 . 7 1 1 A 81 81 ILE H H 81 9.682 8.744 0.938 1
1 1029 . 7 1 1 A 81 81 ILE HA H 81 5.010 4.965 0.045 1
1 1039 . 7 1 1 A 81 81 ILE C C 81 174.710 174.478 0.232 1
1 1040 . 7 1 1 A 81 81 ILE CA C 81 60.900 60.008 0.892 1
1 1041 . 7 1 1 A 81 81 ILE CB C 81 40.120 42.392 -2.272 1
1 1045 . 7 1 1 A 81 81 ILE N N 81 126.070 122.848 3.222 1
1 1046 . 7 1 1 A 82 82 ALA H H 82 9.039 8.274 0.765 1
1 1047 . 7 1 1 A 82 82 ALA HA H 82 4.620 4.830 -0.210 1
1 1051 . 7 1 1 A 82 82 ALA C C 82 176.700 176.031 0.669 1
1 1052 . 7 1 1 A 82 82 ALA CA C 82 50.890 51.076 -0.186 1
1 1053 . 7 1 1 A 82 82 ALA CB C 82 23.420 23.214 0.206 1
1 1054 . 7 1 1 A 82 82 ALA N N 82 130.310 125.303 5.007 1
1 1055 . 7 1 1 A 83 83 TYR H H 83 8.411 8.338 0.073 1
1 1056 . 7 1 1 A 83 83 TYR HA H 83 4.905 4.693 0.212 1
1 1061 . 7 1 1 A 83 83 TYR C C 83 176.900 175.590 1.310 1
1 1062 . 7 1 1 A 83 83 TYR CA C 83 59.280 57.585 1.695 1
1 1063 . 7 1 1 A 83 83 TYR CB C 83 39.350 39.934 -0.584 1
1 1065 . 7 1 1 A 83 83 TYR N N 83 118.580 119.360 -0.780 1
1 1066 . 7 1 1 A 84 84 SER H H 84 8.452 8.613 -0.161 1
1 1067 . 7 1 1 A 84 84 SER HA H 84 4.248 4.663 -0.415 1
1 1070 . 7 1 1 A 84 84 SER C C 84 174.220 174.152 0.068 1
1 1071 . 7 1 1 A 84 84 SER CA C 84 58.560 59.336 -0.776 1
1 1072 . 7 1 1 A 84 84 SER CB C 84 64.100 63.694 0.406 1
1 1073 . 7 1 1 A 84 84 SER N N 84 115.040 116.348 -1.308 1
1 1074 . 7 1 1 A 85 85 LYS H H 85 8.443 8.547 -0.104 1
1 1075 . 7 1 1 A 85 85 LYS HA H 85 4.275 5.181 -0.906 1
1 1080 . 7 1 1 A 85 85 LYS C C 85 177.080 175.159 1.921 1
1 1081 . 7 1 1 A 85 85 LYS CA C 85 56.960 54.967 1.993 1
1 1082 . 7 1 1 A 85 85 LYS CB C 85 33.150 36.386 -3.236 1
1 1086 . 7 1 1 A 85 85 LYS N N 85 123.610 124.437 -0.827 1
1 1087 . 7 1 1 A 86 86 SER H H 86 8.204 8.972 -0.768 1
1 1088 . 7 1 1 A 86 86 SER HA H 86 4.335 4.762 -0.427 1
1 1090 . 7 1 1 A 86 86 SER C C 86 174.080 173.797 0.283 1
1 1091 . 7 1 1 A 86 86 SER CA C 86 58.400 57.695 0.705 1
1 1092 . 7 1 1 A 86 86 SER CB C 86 63.750 64.686 -0.936 1
1 1093 . 7 1 1 A 86 86 SER N N 86 115.780 115.636 0.144 1
1 1094 . 7 1 1 A 87 87 ASP H H 87 8.435 8.224 0.211 1
1 1095 . 7 1 1 A 87 87 ASP HA H 87 4.578 5.024 -0.446 1
1 1098 . 7 1 1 A 87 87 ASP C C 87 176.630 177.608 -0.978 1
1 1099 . 7 1 1 A 87 87 ASP CA C 87 54.260 55.751 -1.491 1
1 1100 . 7 1 1 A 87 87 ASP CB C 87 40.780 42.593 -1.813 1
1 1101 . 7 1 1 A 87 87 ASP N N 87 121.910 122.485 -0.575 1
1 1102 . 7 1 1 A 88 88 SER H H 88 8.061 8.848 -0.787 1
1 1103 . 7 1 1 A 88 88 SER HA H 88 4.328 4.114 0.214 1
1 1106 . 7 1 1 A 88 88 SER C C 88 174.840 175.933 -1.093 1
1 1107 . 7 1 1 A 88 88 SER CA C 88 58.800 62.038 -3.238 1
1 1108 . 7 1 1 A 88 88 SER CB C 88 63.870 62.822 1.048 1
1 1109 . 7 1 1 A 88 88 SER N N 88 116.440 117.156 -0.716 1
1 1110 . 7 1 1 A 89 89 ASP H H 89 8.556 8.096 0.460 1
1 1111 . 7 1 1 A 89 89 ASP HA H 89 4.460 4.412 0.048 1
1 1114 . 7 1 1 A 89 89 ASP C C 89 177.450 178.388 -0.938 1
1 1115 . 7 1 1 A 89 89 ASP CA C 89 56.110 57.900 -1.790 1
1 1116 . 7 1 1 A 89 89 ASP CB C 89 40.500 41.605 -1.105 1
1 1117 . 7 1 1 A 89 89 ASP N N 89 123.080 121.403 1.677 1
1 1118 . 7 1 1 A 90 90 ILE H H 90 7.756 7.914 -0.158 1
1 1119 . 7 1 1 A 90 90 ILE HA H 90 3.829 3.785 0.044 1
1 1129 . 7 1 1 A 90 90 ILE C C 90 177.060 178.008 -0.948 1
1 1130 . 7 1 1 A 90 90 ILE CA C 90 63.070 64.557 -1.487 1
1 1131 . 7 1 1 A 90 90 ILE CB C 90 38.290 37.408 0.882 1
1 1135 . 7 1 1 A 90 90 ILE N N 90 119.250 118.191 1.059 1
1 1136 . 7 1 1 A 91 91 VAL H H 91 7.459 8.366 -0.907 1
1 1137 . 7 1 1 A 91 91 VAL HA H 91 3.613 3.532 0.081 1
1 1145 . 7 1 1 A 91 91 VAL C C 91 177.080 177.989 -0.909 1
1 1146 . 7 1 1 A 91 91 VAL CA C 91 65.250 66.704 -1.454 1
1 1147 . 7 1 1 A 91 91 VAL CB C 91 31.970 31.580 0.390 1
1 1150 . 7 1 1 A 91 91 VAL N N 91 121.040 121.940 -0.900 1
1 1151 . 7 1 1 A 92 92 ALA H H 92 8.076 8.091 -0.015 1
1 1152 . 7 1 1 A 92 92 ALA HA H 92 4.098 4.118 -0.020 1
1 1156 . 7 1 1 A 92 92 ALA C C 92 179.510 179.570 -0.060 1
1 1157 . 7 1 1 A 92 92 ALA CA C 92 54.180 55.188 -1.008 1
1 1158 . 7 1 1 A 92 92 ALA CB C 92 18.660 18.361 0.299 1
1 1159 . 7 1 1 A 92 92 ALA N N 92 122.880 121.495 1.385 1
1 1160 . 7 1 1 A 93 93 LYS H H 93 7.946 7.971 -0.025 1
1 1161 . 7 1 1 A 93 93 LYS HA H 93 4.136 4.095 0.041 1
1 1170 . 7 1 1 A 93 93 LYS C C 93 178.300 179.365 -1.065 1
1 1171 . 7 1 1 A 93 93 LYS CA C 93 58.000 59.598 -1.598 1
1 1172 . 7 1 1 A 93 93 LYS CB C 93 32.550 32.340 0.210 1
1 1176 . 7 1 1 A 93 93 LYS N N 93 118.800 117.329 1.471 1
1 1177 . 7 1 1 A 94 94 ILE H H 94 7.894 7.806 0.088 1
1 1178 . 7 1 1 A 94 94 ILE HA H 94 3.906 3.883 0.023 1
1 1188 . 7 1 1 A 94 94 ILE C C 94 177.720 178.221 -0.501 1
1 1189 . 7 1 1 A 94 94 ILE CA C 94 63.200 63.556 -0.356 1
1 1190 . 7 1 1 A 94 94 ILE CB C 94 38.330 37.238 1.092 1
1 1194 . 7 1 1 A 94 94 ILE N N 94 120.760 118.469 2.291 1
1 1195 . 7 1 1 A 95 95 LYS H H 95 8.310 7.824 0.486 1
1 1196 . 7 1 1 A 95 95 LYS HA H 95 4.083 4.163 -0.080 1
1 1205 . 7 1 1 A 95 95 LYS C C 95 177.660 176.727 0.933 1
1 1206 . 7 1 1 A 95 95 LYS CA C 95 57.930 56.613 1.317 1
1 1207 . 7 1 1 A 95 95 LYS CB C 95 32.860 32.925 -0.065 1
1 1211 . 7 1 1 A 95 95 LYS N N 95 121.330 120.450 0.880 1
1 1212 . 7 1 1 A 96 96 GLY H H 96 8.122 7.909 0.213 1
1 1213 . 7 1 1 A 96 96 GLY HA2 H 96 3.999 4.058 -0.059 1
1 1214 . 7 1 1 A 96 96 GLY HA3 H 96 3.999 4.094 -0.095 1
1 1215 . 7 1 1 A 96 96 GLY C C 96 174.640 175.423 -0.783 1
1 1216 . 7 1 1 A 96 96 GLY CA C 96 45.660 45.611 0.049 1
1 1217 . 7 1 1 A 96 96 GLY N N 96 107.870 106.793 1.077 1
1 1218 . 7 1 1 A 97 97 THR H H 97 7.968 8.249 -0.281 1
1 1219 . 7 1 1 A 97 97 THR HA H 97 4.294 4.284 0.010 1
1 1224 . 7 1 1 A 97 97 THR C C 97 174.590 176.518 -1.928 1
1 1225 . 7 1 1 A 97 97 THR CA C 97 62.160 65.267 -3.107 1
1 1226 . 7 1 1 A 97 97 THR CB C 97 69.630 69.083 0.547 1
1 1228 . 7 1 1 A 97 97 THR N N 97 112.820 114.330 -1.510 1
1 1229 . 7 1 1 A 98 98 PHE H H 98 7.938 7.990 -0.052 1
1 1230 . 7 1 1 A 98 98 PHE HA H 98 4.552 4.104 0.448 1
1 1235 . 7 1 1 A 98 98 PHE C C 98 175.370 176.486 -1.116 1
1 1236 . 7 1 1 A 98 98 PHE CA C 98 58.150 61.543 -3.393 1
1 1237 . 7 1 1 A 98 98 PHE CB C 98 39.550 39.466 0.084 1
1 1239 . 7 1 1 A 98 98 PHE N N 98 122.400 123.787 -1.387 1
1 1240 . 7 1 1 A 99 99 LYS H H 99 7.986 7.759 0.227 1
1 1241 . 7 1 1 A 99 99 LYS HA H 99 4.242 4.318 -0.076 1
1 1250 . 7 1 1 A 99 99 LYS C C 99 175.750 178.046 -2.296 1
1 1251 . 7 1 1 A 99 99 LYS CA C 99 56.030 56.813 -0.783 1
1 1252 . 7 1 1 A 99 99 LYS CB C 99 33.390 34.750 -1.360 1
1 1256 . 7 1 1 A 99 99 LYS N N 99 123.810 114.567 9.243 1
1 1257 . 7 1 1 A 100 100 GLU H H 100 8.247 8.423 -0.176 1
1 1258 . 7 1 1 A 100 100 GLU HA H 100 4.202 4.138 0.064 1
1 1263 . 7 1 1 A 100 100 GLU C C 100 176.210 175.694 0.516 1
1 1264 . 7 1 1 A 100 100 GLU CA C 100 56.270 58.901 -2.631 1
1 1265 . 7 1 1 A 100 100 GLU CB C 100 30.550 30.509 0.041 1
1 1267 . 7 1 1 A 100 100 GLU N N 100 122.270 119.549 2.721 1
1 1268 . 7 1 1 A 101 101 ARG H H 101 8.415 7.883 0.532 1
1 1269 . 7 1 1 A 101 101 ARG HA H 101 4.590 4.732 -0.142 1
1 1276 . 7 1 1 A 101 101 ARG CA C 101 53.980 52.859 1.121 1
1 1277 . 7 1 1 A 101 101 ARG CB C 101 30.070 32.019 -1.949 1
1 1280 . 7 1 1 A 101 101 ARG N N 101 123.970 117.214 6.756 1
1 1281 . 7 1 1 A 102 102 PRO HA H 102 4.421 4.434 -0.013 1
1 1288 . 7 1 1 A 102 102 PRO C C 102 176.700 176.626 0.074 1
1 1289 . 7 1 1 A 102 102 PRO CA C 102 63.090 64.706 -1.616 1
1 1290 . 7 1 1 A 102 102 PRO CB C 102 32.160 32.123 0.037 1
1 1293 . 7 1 1 A 103 103 LYS H H 103 8.445 7.655 0.790 1
1 1294 . 7 1 1 A 103 103 LYS HA H 103 4.294 4.536 -0.242 1
1 1303 . 7 1 1 A 103 103 LYS C C 103 175.690 174.941 0.749 1
1 1304 . 7 1 1 A 103 103 LYS CA C 103 56.380 55.409 0.971 1
1 1305 . 7 1 1 A 103 103 LYS CB C 103 33.150 32.948 0.202 1
1 1309 . 7 1 1 A 103 103 LYS N N 103 122.480 116.357 6.123 1
1 1 . 8 1 1 A 2 2 GLU HA H 2 4.372 4.154 0.218 1
1 6 . 8 1 1 A 2 2 GLU C C 2 175.830 176.894 -1.064 1
1 7 . 8 1 1 A 2 2 GLU CA C 2 56.340 58.888 -2.548 1
1 8 . 8 1 1 A 2 2 GLU CB C 2 30.550 29.818 0.732 1
1 10 . 8 1 1 A 3 3 MET H H 3 8.529 7.945 0.584 1
1 11 . 8 1 1 A 3 3 MET HA H 3 4.534 4.719 -0.185 1
1 19 . 8 1 1 A 3 3 MET C C 3 175.350 176.478 -1.128 1
1 20 . 8 1 1 A 3 3 MET CA C 3 54.950 55.107 -0.157 1
1 21 . 8 1 1 A 3 3 MET CB C 3 33.150 33.605 -0.455 1
1 24 . 8 1 1 A 3 3 MET N N 3 122.340 118.646 3.694 1
1 25 . 8 1 1 A 4 4 LEU H H 4 8.265 8.360 -0.095 1
1 26 . 8 1 1 A 4 4 LEU HA H 4 4.579 4.235 0.344 1
1 36 . 8 1 1 A 4 4 LEU CA C 4 52.620 53.366 -0.746 1
1 37 . 8 1 1 A 4 4 LEU CB C 4 41.780 40.790 0.990 1
1 41 . 8 1 1 A 4 4 LEU N N 4 125.280 123.103 2.177 1
1 42 . 8 1 1 A 5 5 PRO HA H 5 4.268 4.741 -0.473 1
1 49 . 8 1 1 A 5 5 PRO C C 5 175.390 176.345 -0.955 1
1 50 . 8 1 1 A 5 5 PRO CA C 5 62.620 63.783 -1.163 1
1 51 . 8 1 1 A 5 5 PRO CB C 5 32.300 32.799 -0.499 1
1 54 . 8 1 1 A 6 6 ASN H H 6 6.913 7.707 -0.794 1
1 55 . 8 1 1 A 6 6 ASN HA H 6 4.460 4.516 -0.056 1
1 60 . 8 1 1 A 6 6 ASN C C 6 172.390 176.802 -4.412 1
1 61 . 8 1 1 A 6 6 ASN CA C 6 52.920 54.077 -1.157 1
1 62 . 8 1 1 A 6 6 ASN CB C 6 41.920 40.158 1.762 1
1 63 . 8 1 1 A 6 6 ASN N N 6 117.610 120.276 -2.666 1
1 65 . 8 1 1 A 7 7 GLN H H 7 8.465 8.734 -0.269 1
1 66 . 8 1 1 A 7 7 GLN HA H 7 4.164 4.163 0.001 1
1 73 . 8 1 1 A 7 7 GLN C C 7 175.020 176.259 -1.239 1
1 74 . 8 1 1 A 7 7 GLN CA C 7 58.100 57.658 0.442 1
1 75 . 8 1 1 A 7 7 GLN CB C 7 29.270 28.170 1.100 1
1 77 . 8 1 1 A 7 7 GLN N N 7 116.430 123.702 -7.272 1
1 79 . 8 1 1 A 8 8 THR H H 8 8.374 7.864 0.510 1
1 80 . 8 1 1 A 8 8 THR HA H 8 5.399 4.612 0.787 1
1 85 . 8 1 1 A 8 8 THR C C 8 173.700 174.647 -0.947 1
1 86 . 8 1 1 A 8 8 THR CA C 8 62.380 62.554 -0.174 1
1 87 . 8 1 1 A 8 8 THR CB C 8 69.100 69.993 -0.893 1
1 89 . 8 1 1 A 8 8 THR N N 8 118.220 115.543 2.677 1
1 90 . 8 1 1 A 9 9 ILE H H 9 8.794 9.529 -0.735 1
1 91 . 8 1 1 A 9 9 ILE HA H 9 5.085 5.343 -0.258 1
1 101 . 8 1 1 A 9 9 ILE C C 9 173.490 174.049 -0.559 1
1 102 . 8 1 1 A 9 9 ILE CA C 9 59.000 59.328 -0.328 1
1 103 . 8 1 1 A 9 9 ILE CB C 9 39.710 42.050 -2.340 1
1 107 . 8 1 1 A 9 9 ILE N N 9 118.250 123.509 -5.259 1
1 108 . 8 1 1 A 10 10 TYR H H 10 9.384 9.197 0.187 1
1 109 . 8 1 1 A 10 10 TYR HA H 10 5.032 5.332 -0.300 1
1 116 . 8 1 1 A 10 10 TYR C C 10 173.920 173.487 0.433 1
1 117 . 8 1 1 A 10 10 TYR CA C 10 55.240 56.163 -0.923 1
1 118 . 8 1 1 A 10 10 TYR CB C 10 40.700 41.852 -1.152 1
1 123 . 8 1 1 A 10 10 TYR N N 10 124.310 124.675 -0.365 1
1 124 . 8 1 1 A 11 11 ILE H H 11 9.000 9.146 -0.146 1
1 125 . 8 1 1 A 11 11 ILE HA H 11 4.629 4.894 -0.265 1
1 135 . 8 1 1 A 11 11 ILE C C 11 180.280 174.614 5.666 1
1 136 . 8 1 1 A 11 11 ILE CA C 11 60.050 59.403 0.647 1
1 137 . 8 1 1 A 11 11 ILE CB C 11 40.350 40.246 0.104 1
1 141 . 8 1 1 A 11 11 ILE N N 11 126.640 127.986 -1.346 1
1 142 . 8 1 1 A 12 12 ASN H H 12 8.844 9.038 -0.194 1
1 143 . 8 1 1 A 12 12 ASN HA H 12 5.267 4.786 0.481 1
1 148 . 8 1 1 A 12 12 ASN C C 12 174.640 174.168 0.472 1
1 149 . 8 1 1 A 12 12 ASN CA C 12 50.860 51.238 -0.378 1
1 150 . 8 1 1 A 12 12 ASN CB C 12 41.400 41.992 -0.592 1
1 151 . 8 1 1 A 12 12 ASN N N 12 123.520 123.279 0.241 1
1 153 . 8 1 1 A 13 13 ASN H H 13 8.689 8.842 -0.153 1
1 154 . 8 1 1 A 13 13 ASN HA H 13 4.456 4.275 0.181 1
1 159 . 8 1 1 A 13 13 ASN C C 13 176.140 175.171 0.969 1
1 160 . 8 1 1 A 13 13 ASN CA C 13 53.920 53.930 -0.010 1
1 161 . 8 1 1 A 13 13 ASN CB C 13 39.360 37.693 1.667 1
1 162 . 8 1 1 A 13 13 ASN N N 13 115.910 120.117 -4.207 1
1 164 . 8 1 1 A 14 14 LEU H H 14 8.221 8.036 0.185 1
1 165 . 8 1 1 A 14 14 LEU HA H 14 4.350 4.133 0.217 1
1 175 . 8 1 1 A 14 14 LEU C C 14 177.880 175.788 2.092 1
1 176 . 8 1 1 A 14 14 LEU CA C 14 54.000 55.291 -1.291 1
1 177 . 8 1 1 A 14 14 LEU CB C 14 42.830 42.934 -0.104 1
1 181 . 8 1 1 A 14 14 LEU N N 14 116.310 120.249 -3.939 1
1 182 . 8 1 1 A 15 15 ASN H H 15 9.226 8.800 0.426 1
1 183 . 8 1 1 A 15 15 ASN HA H 15 4.225 4.879 -0.654 1
1 188 . 8 1 1 A 15 15 ASN C C 15 176.150 176.847 -0.697 1
1 189 . 8 1 1 A 15 15 ASN CA C 15 54.210 52.995 1.215 1
1 190 . 8 1 1 A 15 15 ASN CB C 15 38.050 39.063 -1.013 1
1 191 . 8 1 1 A 15 15 ASN N N 15 120.300 124.388 -4.088 1
1 193 . 8 1 1 A 16 16 GLU H H 16 9.234 8.788 0.446 1
1 194 . 8 1 1 A 16 16 GLU HA H 16 4.110 4.094 0.016 1
1 199 . 8 1 1 A 16 16 GLU C C 16 176.510 177.921 -1.411 1
1 200 . 8 1 1 A 16 16 GLU CA C 16 57.800 58.523 -0.723 1
1 201 . 8 1 1 A 16 16 GLU CB C 16 29.300 29.051 0.249 1
1 203 . 8 1 1 A 16 16 GLU N N 16 128.160 126.058 2.102 1
1 204 . 8 1 1 A 17 17 LYS H H 17 8.421 8.239 0.182 1
1 205 . 8 1 1 A 17 17 LYS HA H 17 4.170 4.150 0.020 1
1 214 . 8 1 1 A 17 17 LYS C C 17 176.700 176.860 -0.160 1
1 215 . 8 1 1 A 17 17 LYS CA C 17 56.750 58.766 -2.016 1
1 216 . 8 1 1 A 17 17 LYS CB C 17 32.370 31.893 0.477 1
1 220 . 8 1 1 A 17 17 LYS N N 17 118.450 118.240 0.210 1
1 221 . 8 1 1 A 18 18 ILE H H 18 6.751 7.409 -0.658 1
1 222 . 8 1 1 A 18 18 ILE HA H 18 3.830 3.897 -0.067 1
1 232 . 8 1 1 A 18 18 ILE C C 18 176.560 175.584 0.976 1
1 233 . 8 1 1 A 18 18 ILE CA C 18 58.640 61.726 -3.086 1
1 234 . 8 1 1 A 18 18 ILE CB C 18 35.940 38.086 -2.146 1
1 238 . 8 1 1 A 18 18 ILE N N 18 118.790 122.217 -3.427 1
1 239 . 8 1 1 A 19 19 LYS H H 19 8.815 8.695 0.120 1
1 240 . 8 1 1 A 19 19 LYS HA H 19 4.189 4.187 0.002 1
1 249 . 8 1 1 A 19 19 LYS C C 19 178.340 177.832 0.508 1
1 250 . 8 1 1 A 19 19 LYS CA C 19 57.250 56.238 1.012 1
1 251 . 8 1 1 A 19 19 LYS CB C 19 32.800 33.817 -1.017 1
1 255 . 8 1 1 A 19 19 LYS N N 19 129.030 128.938 0.092 1
1 256 . 8 1 1 A 20 20 LYS H H 20 9.032 9.026 0.006 1
1 257 . 8 1 1 A 20 20 LYS HA H 20 3.854 3.852 0.002 1
1 266 . 8 1 1 A 20 20 LYS C C 20 178.390 177.949 0.441 1
1 267 . 8 1 1 A 20 20 LYS CA C 20 59.740 60.441 -0.701 1
1 268 . 8 1 1 A 20 20 LYS CB C 20 31.390 32.109 -0.719 1
1 272 . 8 1 1 A 20 20 LYS N N 20 123.440 126.974 -3.534 1
1 273 . 8 1 1 A 21 21 GLU H H 21 9.341 8.093 1.248 1
1 274 . 8 1 1 A 21 21 GLU HA H 21 4.074 4.096 -0.022 1
1 279 . 8 1 1 A 21 21 GLU C C 21 179.120 179.332 -0.212 1
1 280 . 8 1 1 A 21 21 GLU CA C 21 60.270 59.448 0.822 1
1 281 . 8 1 1 A 21 21 GLU CB C 21 28.840 29.007 -0.167 1
1 283 . 8 1 1 A 21 21 GLU N N 21 117.890 118.301 -0.411 1
1 284 . 8 1 1 A 22 22 GLU H H 22 6.994 8.155 -1.161 1
1 285 . 8 1 1 A 22 22 GLU HA H 22 4.166 4.082 0.084 1
1 290 . 8 1 1 A 22 22 GLU C C 22 178.200 179.033 -0.833 1
1 291 . 8 1 1 A 22 22 GLU CA C 22 58.530 59.238 -0.708 1
1 292 . 8 1 1 A 22 22 GLU CB C 22 29.180 29.602 -0.422 1
1 294 . 8 1 1 A 22 22 GLU N N 22 119.810 120.465 -0.655 1
1 295 . 8 1 1 A 23 23 LEU H H 23 8.462 8.475 -0.013 1
1 296 . 8 1 1 A 23 23 LEU HA H 23 3.981 4.199 -0.218 1
1 306 . 8 1 1 A 23 23 LEU C C 23 178.780 178.579 0.201 1
1 307 . 8 1 1 A 23 23 LEU CA C 23 58.840 58.298 0.542 1
1 308 . 8 1 1 A 23 23 LEU CB C 23 42.420 41.991 0.429 1
1 312 . 8 1 1 A 23 23 LEU N N 23 121.220 122.048 -0.828 1
1 313 . 8 1 1 A 24 24 LYS H H 24 8.411 8.247 0.164 1
1 314 . 8 1 1 A 24 24 LYS HA H 24 3.808 3.656 0.152 1
1 323 . 8 1 1 A 24 24 LYS C C 24 178.200 178.784 -0.584 1
1 324 . 8 1 1 A 24 24 LYS CA C 24 61.500 60.344 1.156 1
1 325 . 8 1 1 A 24 24 LYS CB C 24 32.500 32.272 0.228 1
1 329 . 8 1 1 A 24 24 LYS N N 24 116.620 118.766 -2.146 1
1 330 . 8 1 1 A 25 25 LYS H H 25 7.592 8.062 -0.470 1
1 331 . 8 1 1 A 25 25 LYS HA H 25 4.181 4.199 -0.018 1
1 340 . 8 1 1 A 25 25 LYS C C 25 180.280 179.098 1.182 1
1 341 . 8 1 1 A 25 25 LYS CA C 25 60.140 59.455 0.685 1
1 342 . 8 1 1 A 25 25 LYS CB C 25 32.690 32.311 0.379 1
1 346 . 8 1 1 A 25 25 LYS N N 25 118.830 121.123 -2.293 1
1 347 . 8 1 1 A 26 26 SER H H 26 8.845 8.514 0.331 1
1 348 . 8 1 1 A 26 26 SER HA H 26 4.570 4.213 0.357 1
1 351 . 8 1 1 A 26 26 SER C C 26 176.880 176.333 0.547 1
1 352 . 8 1 1 A 26 26 SER CA C 26 62.210 62.440 -0.230 1
1 353 . 8 1 1 A 26 26 SER CB C 26 63.320 63.364 -0.044 1
1 354 . 8 1 1 A 26 26 SER N N 26 117.880 117.292 0.588 1
1 355 . 8 1 1 A 27 27 LEU H H 27 9.040 8.384 0.656 1
1 356 . 8 1 1 A 27 27 LEU HA H 27 4.190 4.024 0.166 1
1 366 . 8 1 1 A 27 27 LEU C C 27 179.100 178.701 0.399 1
1 367 . 8 1 1 A 27 27 LEU CA C 27 57.960 57.706 0.254 1
1 368 . 8 1 1 A 27 27 LEU CB C 27 43.030 41.909 1.121 1
1 372 . 8 1 1 A 27 27 LEU N N 27 122.840 121.299 1.541 1
1 373 . 8 1 1 A 28 28 TYR H H 28 8.535 8.251 0.284 1
1 374 . 8 1 1 A 28 28 TYR HA H 28 3.826 4.312 -0.486 1
1 379 . 8 1 1 A 28 28 TYR C C 28 178.360 178.162 0.198 1
1 380 . 8 1 1 A 28 28 TYR CA C 28 63.220 61.279 1.941 1
1 381 . 8 1 1 A 28 28 TYR CB C 28 38.320 37.400 0.920 1
1 384 . 8 1 1 A 28 28 TYR N N 28 121.030 118.142 2.888 1
1 385 . 8 1 1 A 29 29 ALA H H 29 8.009 8.208 -0.199 1
1 386 . 8 1 1 A 29 29 ALA HA H 29 3.364 4.197 -0.833 1
1 390 . 8 1 1 A 29 29 ALA CA C 29 55.420 54.983 0.437 1
1 391 . 8 1 1 A 29 29 ALA CB C 29 18.920 18.782 0.138 1
1 392 . 8 1 1 A 29 29 ALA N N 29 120.570 122.277 -1.707 1
1 393 . 8 1 1 A 30 30 ILE HA H 30 4.048 4.489 -0.441 1
1 403 . 8 1 1 A 30 30 ILE C C 30 177.270 178.176 -0.906 1
1 404 . 8 1 1 A 30 30 ILE CA C 30 63.380 62.208 1.172 1
1 405 . 8 1 1 A 30 30 ILE CB C 30 38.850 39.340 -0.490 1
1 409 . 8 1 1 A 31 31 PHE H H 31 8.446 8.532 -0.086 1
1 410 . 8 1 1 A 31 31 PHE HA H 31 4.900 4.594 0.306 1
1 415 . 8 1 1 A 31 31 PHE C C 31 177.820 178.598 -0.778 1
1 416 . 8 1 1 A 31 31 PHE CA C 31 62.380 60.462 1.918 1
1 417 . 8 1 1 A 31 31 PHE CB C 31 38.900 38.039 0.861 1
1 418 . 8 1 1 A 31 31 PHE N N 31 115.770 121.323 -5.553 1
1 419 . 8 1 1 A 32 32 SER H H 32 8.392 8.282 0.110 1
1 420 . 8 1 1 A 32 32 SER HA H 32 4.365 4.511 -0.146 1
1 423 . 8 1 1 A 32 32 SER C C 32 176.140 176.747 -0.607 1
1 424 . 8 1 1 A 32 32 SER CA C 32 61.680 62.188 -0.508 1
1 425 . 8 1 1 A 32 32 SER CB C 32 62.460 63.188 -0.728 1
1 426 . 8 1 1 A 32 32 SER N N 32 116.890 115.734 1.156 1
1 427 . 8 1 1 A 33 33 GLN H H 33 7.310 8.275 -0.965 1
1 428 . 8 1 1 A 33 33 GLN HA H 33 4.059 4.142 -0.083 1
1 435 . 8 1 1 A 33 33 GLN C C 33 176.330 177.265 -0.935 1
1 436 . 8 1 1 A 33 33 GLN CA C 33 57.220 58.217 -0.997 1
1 437 . 8 1 1 A 33 33 GLN CB C 33 28.040 28.986 -0.946 1
1 439 . 8 1 1 A 33 33 GLN N N 33 117.530 120.383 -2.853 1
1 441 . 8 1 1 A 34 34 PHE H H 34 7.626 7.867 -0.241 1
1 442 . 8 1 1 A 34 34 PHE HA H 34 4.435 4.540 -0.105 1
1 447 . 8 1 1 A 34 34 PHE C C 34 175.590 175.456 0.134 1
1 448 . 8 1 1 A 34 34 PHE CA C 34 59.410 57.986 1.424 1
1 449 . 8 1 1 A 34 34 PHE CB C 34 39.380 39.393 -0.013 1
1 452 . 8 1 1 A 34 34 PHE N N 34 116.090 116.436 -0.346 1
1 453 . 8 1 1 A 35 35 GLY H H 35 7.595 7.763 -0.168 1
1 454 . 8 1 1 A 35 35 GLY HA2 H 35 3.960 4.178 -0.218 1
1 455 . 8 1 1 A 35 35 GLY HA3 H 35 4.612 4.205 0.407 1
1 456 . 8 1 1 A 35 35 GLY C C 35 170.890 174.487 -3.597 1
1 457 . 8 1 1 A 35 35 GLY CA C 35 44.160 45.169 -1.009 1
1 458 . 8 1 1 A 35 35 GLY N N 35 107.470 106.284 1.186 1
1 459 . 8 1 1 A 36 36 GLN H H 36 8.404 8.730 -0.326 1
1 460 . 8 1 1 A 36 36 GLN HA H 36 4.275 4.107 0.168 1
1 467 . 8 1 1 A 36 36 GLN C C 36 176.650 174.868 1.782 1
1 468 . 8 1 1 A 36 36 GLN CA C 36 57.180 56.650 0.530 1
1 469 . 8 1 1 A 36 36 GLN CB C 36 29.360 27.549 1.811 1
1 471 . 8 1 1 A 36 36 GLN N N 36 116.620 118.040 -1.420 1
1 473 . 8 1 1 A 37 37 ILE H H 37 9.009 8.242 0.767 1
1 474 . 8 1 1 A 37 37 ILE HA H 37 4.068 3.394 0.674 1
1 484 . 8 1 1 A 37 37 ILE C C 37 176.530 175.890 0.640 1
1 485 . 8 1 1 A 37 37 ILE CA C 37 61.270 62.183 -0.913 1
1 486 . 8 1 1 A 37 37 ILE CB C 37 40.600 37.657 2.943 1
1 490 . 8 1 1 A 37 37 ILE N N 37 129.370 126.930 2.440 1
1 491 . 8 1 1 A 38 38 LEU H H 38 9.472 9.427 0.045 1
1 492 . 8 1 1 A 38 38 LEU HA H 38 4.291 4.583 -0.292 1
1 502 . 8 1 1 A 38 38 LEU C C 38 176.900 175.346 1.554 1
1 503 . 8 1 1 A 38 38 LEU CA C 38 56.520 56.095 0.425 1
1 504 . 8 1 1 A 38 38 LEU CB C 38 42.030 44.178 -2.148 1
1 508 . 8 1 1 A 38 38 LEU N N 38 128.180 128.328 -0.148 1
1 509 . 8 1 1 A 39 39 ASP H H 39 7.493 7.781 -0.288 1
1 510 . 8 1 1 A 39 39 ASP HA H 39 4.715 5.030 -0.315 1
1 513 . 8 1 1 A 39 39 ASP C C 39 173.560 173.833 -0.273 1
1 514 . 8 1 1 A 39 39 ASP CA C 39 53.510 53.451 0.059 1
1 515 . 8 1 1 A 39 39 ASP CB C 39 44.160 43.943 0.217 1
1 516 . 8 1 1 A 39 39 ASP N N 39 114.640 117.344 -2.704 1
1 517 . 8 1 1 A 40 40 ILE H H 40 8.537 8.574 -0.037 1
1 518 . 8 1 1 A 40 40 ILE HA H 40 4.722 4.723 -0.001 1
1 528 . 8 1 1 A 40 40 ILE C C 40 174.090 174.777 -0.687 1
1 529 . 8 1 1 A 40 40 ILE CA C 40 61.060 59.872 1.188 1
1 530 . 8 1 1 A 40 40 ILE CB C 40 41.220 42.307 -1.087 1
1 534 . 8 1 1 A 40 40 ILE N N 40 119.670 121.881 -2.211 1
1 535 . 8 1 1 A 41 41 VAL H H 41 8.807 8.778 0.029 1
1 536 . 8 1 1 A 41 41 VAL HA H 41 4.195 4.843 -0.648 1
1 544 . 8 1 1 A 41 41 VAL C C 41 174.470 174.634 -0.164 1
1 545 . 8 1 1 A 41 41 VAL CA C 41 61.020 61.242 -0.222 1
1 546 . 8 1 1 A 41 41 VAL CB C 41 34.160 34.405 -0.245 1
1 549 . 8 1 1 A 41 41 VAL N N 41 127.000 125.900 1.100 1
1 550 . 8 1 1 A 42 42 ALA H H 42 8.708 8.932 -0.224 1
1 551 . 8 1 1 A 42 42 ALA HA H 42 4.796 5.088 -0.292 1
1 555 . 8 1 1 A 42 42 ALA C C 42 175.210 175.499 -0.289 1
1 556 . 8 1 1 A 42 42 ALA CA C 42 51.430 50.900 0.530 1
1 557 . 8 1 1 A 42 42 ALA CB C 42 19.780 24.280 -4.500 1
1 558 . 8 1 1 A 42 42 ALA N N 42 130.100 128.261 1.839 1
1 559 . 8 1 1 A 43 43 LEU H H 43 8.224 8.769 -0.545 1
1 560 . 8 1 1 A 43 43 LEU HA H 43 4.575 4.926 -0.351 1
1 570 . 8 1 1 A 43 43 LEU CA C 43 54.620 53.289 1.331 1
1 571 . 8 1 1 A 43 43 LEU CB C 43 43.640 44.332 -0.692 1
1 575 . 8 1 1 A 43 43 LEU N N 43 122.270 120.244 2.026 1
1 576 . 8 1 1 A 44 44 LYS HA H 44 4.570 4.190 0.380 1
1 585 . 8 1 1 A 44 44 LYS CA C 44 56.000 58.354 -2.354 1
1 586 . 8 1 1 A 44 44 LYS CB C 44 32.940 32.794 0.146 1
1 590 . 8 1 1 A 45 45 THR H H 45 7.706 7.517 0.189 1
1 591 . 8 1 1 A 45 45 THR HA H 45 4.494 4.237 0.257 1
1 596 . 8 1 1 A 45 45 THR CA C 45 60.500 61.994 -1.494 1
1 597 . 8 1 1 A 45 45 THR CB C 45 70.450 69.959 0.491 1
1 599 . 8 1 1 A 45 45 THR N N 45 113.650 112.206 1.444 1
1 600 . 8 1 1 A 46 46 LEU HA H 46 4.142 3.930 0.212 1
1 610 . 8 1 1 A 46 46 LEU C C 46 179.030 178.775 0.255 1
1 611 . 8 1 1 A 46 46 LEU CA C 46 57.630 58.296 -0.666 1
1 612 . 8 1 1 A 46 46 LEU CB C 46 42.020 41.532 0.488 1
1 616 . 8 1 1 A 47 47 LYS H H 47 8.325 7.977 0.348 1
1 617 . 8 1 1 A 47 47 LYS HA H 47 4.139 4.055 0.084 1
1 626 . 8 1 1 A 47 47 LYS C C 47 176.700 177.158 -0.458 1
1 627 . 8 1 1 A 47 47 LYS CA C 47 57.800 58.979 -1.179 1
1 628 . 8 1 1 A 47 47 LYS CB C 47 32.440 32.296 0.144 1
1 632 . 8 1 1 A 47 47 LYS N N 47 116.870 119.618 -2.748 1
1 633 . 8 1 1 A 48 48 MET H H 48 7.649 7.848 -0.199 1
1 634 . 8 1 1 A 48 48 MET HA H 48 4.581 4.696 -0.115 1
1 642 . 8 1 1 A 48 48 MET C C 48 175.550 176.529 -0.979 1
1 643 . 8 1 1 A 48 48 MET CA C 48 54.970 54.975 -0.005 1
1 644 . 8 1 1 A 48 48 MET CB C 48 32.770 33.657 -0.887 1
1 647 . 8 1 1 A 48 48 MET N N 48 116.090 116.042 0.048 1
1 648 . 8 1 1 A 49 49 ARG H H 49 7.653 8.104 -0.451 1
1 649 . 8 1 1 A 49 49 ARG HA H 49 4.377 4.604 -0.227 1
1 656 . 8 1 1 A 49 49 ARG C C 49 177.450 177.860 -0.410 1
1 657 . 8 1 1 A 49 49 ARG CA C 49 57.250 56.755 0.495 1
1 658 . 8 1 1 A 49 49 ARG CB C 49 30.400 32.902 -2.502 1
1 661 . 8 1 1 A 49 49 ARG N N 49 119.580 121.098 -1.518 1
1 662 . 8 1 1 A 50 50 GLY H H 50 9.177 8.076 1.101 1
1 663 . 8 1 1 A 50 50 GLY HA2 H 50 3.960 3.938 0.022 1
1 664 . 8 1 1 A 50 50 GLY HA3 H 50 4.107 3.941 0.166 1
1 665 . 8 1 1 A 50 50 GLY C C 50 172.960 173.826 -0.866 1
1 666 . 8 1 1 A 50 50 GLY CA C 50 46.140 45.359 0.781 1
1 667 . 8 1 1 A 50 50 GLY N N 50 111.640 106.596 5.044 1
1 668 . 8 1 1 A 51 51 GLN H H 51 7.853 7.682 0.171 1
1 669 . 8 1 1 A 51 51 GLN HA H 51 5.516 4.550 0.966 1
1 675 . 8 1 1 A 51 51 GLN C C 51 174.800 173.605 1.195 1
1 676 . 8 1 1 A 51 51 GLN CA C 51 54.160 54.257 -0.097 1
1 677 . 8 1 1 A 51 51 GLN CB C 51 34.330 31.827 2.503 1
1 679 . 8 1 1 A 51 51 GLN N N 51 117.000 116.430 0.570 1
1 681 . 8 1 1 A 52 52 ALA H H 52 8.765 8.335 0.430 1
1 682 . 8 1 1 A 52 52 ALA HA H 52 5.098 4.797 0.301 1
1 686 . 8 1 1 A 52 52 ALA C C 52 174.820 175.256 -0.436 1
1 687 . 8 1 1 A 52 52 ALA CA C 52 51.170 51.171 -0.001 1
1 688 . 8 1 1 A 52 52 ALA CB C 52 23.350 23.501 -0.151 1
1 689 . 8 1 1 A 52 52 ALA N N 52 121.050 120.823 0.227 1
1 690 . 8 1 1 A 53 53 PHE H H 53 8.840 8.828 0.012 1
1 691 . 8 1 1 A 53 53 PHE HA H 53 5.615 5.591 0.024 1
1 696 . 8 1 1 A 53 53 PHE C C 53 174.870 174.673 0.197 1
1 697 . 8 1 1 A 53 53 PHE CA C 53 55.770 56.505 -0.735 1
1 698 . 8 1 1 A 53 53 PHE CB C 53 41.530 43.974 -2.444 1
1 701 . 8 1 1 A 53 53 PHE N N 53 115.860 116.530 -0.670 1
1 702 . 8 1 1 A 54 54 VAL H H 54 8.766 8.898 -0.132 1
1 703 . 8 1 1 A 54 54 VAL HA H 54 4.169 4.777 -0.608 1
1 711 . 8 1 1 A 54 54 VAL C C 54 173.330 173.527 -0.197 1
1 712 . 8 1 1 A 54 54 VAL CA C 54 61.920 59.993 1.927 1
1 713 . 8 1 1 A 54 54 VAL CB C 54 32.860 35.799 -2.939 1
1 716 . 8 1 1 A 54 54 VAL N N 54 121.920 119.951 1.969 1
1 717 . 8 1 1 A 55 55 ILE H H 55 8.319 9.051 -0.732 1
1 718 . 8 1 1 A 55 55 ILE HA H 55 4.512 5.223 -0.711 1
1 728 . 8 1 1 A 55 55 ILE C C 55 173.920 175.092 -1.172 1
1 729 . 8 1 1 A 55 55 ILE CA C 55 60.880 60.299 0.581 1
1 730 . 8 1 1 A 55 55 ILE CB C 55 39.130 40.951 -1.821 1
1 734 . 8 1 1 A 55 55 ILE N N 55 126.350 125.839 0.511 1
1 735 . 8 1 1 A 56 56 PHE H H 56 9.009 9.139 -0.130 1
1 736 . 8 1 1 A 56 56 PHE HA H 56 4.889 4.931 -0.042 1
1 741 . 8 1 1 A 56 56 PHE C C 56 175.180 177.138 -1.958 1
1 742 . 8 1 1 A 56 56 PHE CA C 56 59.030 57.769 1.261 1
1 743 . 8 1 1 A 56 56 PHE CB C 56 40.320 41.153 -0.833 1
1 744 . 8 1 1 A 56 56 PHE N N 56 126.440 126.776 -0.336 1
1 745 . 8 1 1 A 57 57 LYS H H 57 8.191 8.715 -0.524 1
1 746 . 8 1 1 A 57 57 LYS HA H 57 3.969 4.206 -0.237 1
1 755 . 8 1 1 A 57 57 LYS C C 57 176.140 176.444 -0.304 1
1 756 . 8 1 1 A 57 57 LYS CA C 57 59.290 58.715 0.575 1
1 757 . 8 1 1 A 57 57 LYS CB C 57 33.850 32.247 1.603 1
1 761 . 8 1 1 A 57 57 LYS N N 57 119.130 121.348 -2.218 1
1 762 . 8 1 1 A 58 58 GLU H H 58 8.614 8.071 0.543 1
1 763 . 8 1 1 A 58 58 GLU HA H 58 4.850 4.836 0.014 1
1 768 . 8 1 1 A 58 58 GLU C C 58 177.130 176.704 0.426 1
1 769 . 8 1 1 A 58 58 GLU CA C 58 54.130 54.885 -0.755 1
1 770 . 8 1 1 A 58 58 GLU CB C 58 32.230 33.772 -1.542 1
1 772 . 8 1 1 A 58 58 GLU N N 58 114.350 118.309 -3.959 1
1 773 . 8 1 1 A 59 59 ILE H H 59 8.825 8.655 0.170 1
1 774 . 8 1 1 A 59 59 ILE HA H 59 3.499 3.833 -0.334 1
1 784 . 8 1 1 A 59 59 ILE C C 59 177.650 178.201 -0.551 1
1 785 . 8 1 1 A 59 59 ILE CA C 59 65.660 64.349 1.311 1
1 786 . 8 1 1 A 59 59 ILE CB C 59 38.040 37.714 0.326 1
1 790 . 8 1 1 A 59 59 ILE N N 59 122.940 122.878 0.062 1
1 791 . 8 1 1 A 60 60 GLY H H 60 8.875 8.303 0.572 1
1 792 . 8 1 1 A 60 60 GLY HA2 H 60 3.780 3.789 -0.009 1
1 793 . 8 1 1 A 60 60 GLY HA3 H 60 3.925 3.802 0.123 1
1 794 . 8 1 1 A 60 60 GLY C C 60 176.700 176.554 0.146 1
1 795 . 8 1 1 A 60 60 GLY CA C 60 47.070 47.440 -0.370 1
1 796 . 8 1 1 A 60 60 GLY N N 60 106.980 110.865 -3.885 1
1 797 . 8 1 1 A 61 61 SER H H 61 6.973 7.962 -0.989 1
1 798 . 8 1 1 A 61 61 SER HA H 61 4.141 4.277 -0.136 1
1 801 . 8 1 1 A 61 61 SER C C 61 174.060 175.890 -1.830 1
1 802 . 8 1 1 A 61 61 SER CA C 61 61.870 62.424 -0.554 1
1 803 . 8 1 1 A 61 61 SER CB C 61 63.150 63.021 0.129 1
1 804 . 8 1 1 A 61 61 SER N N 61 116.200 119.519 -3.319 1
1 805 . 8 1 1 A 62 62 ALA H H 62 6.786 8.079 -1.293 1
1 806 . 8 1 1 A 62 62 ALA HA H 62 3.370 3.553 -0.183 1
1 810 . 8 1 1 A 62 62 ALA C C 62 178.960 179.262 -0.302 1
1 811 . 8 1 1 A 62 62 ALA CA C 62 55.370 55.017 0.353 1
1 812 . 8 1 1 A 62 62 ALA CB C 62 19.030 18.125 0.905 1
1 813 . 8 1 1 A 62 62 ALA N N 62 123.660 123.696 -0.036 1
1 814 . 8 1 1 A 63 63 SER H H 63 8.379 8.222 0.157 1
1 815 . 8 1 1 A 63 63 SER HA H 63 4.551 4.096 0.455 1
1 818 . 8 1 1 A 63 63 SER C C 63 177.040 175.955 1.085 1
1 819 . 8 1 1 A 63 63 SER CA C 63 61.000 62.031 -1.031 1
1 820 . 8 1 1 A 63 63 SER CB C 63 63.090 62.766 0.324 1
1 821 . 8 1 1 A 63 63 SER N N 63 111.560 113.460 -1.900 1
1 822 . 8 1 1 A 64 64 ASN H H 64 7.737 8.368 -0.631 1
1 823 . 8 1 1 A 64 64 ASN HA H 64 4.434 4.365 0.069 1
1 828 . 8 1 1 A 64 64 ASN C C 64 177.490 177.212 0.278 1
1 829 . 8 1 1 A 64 64 ASN CA C 64 55.410 56.444 -1.034 1
1 830 . 8 1 1 A 64 64 ASN CB C 64 37.930 39.142 -1.212 1
1 831 . 8 1 1 A 64 64 ASN N N 64 120.200 120.441 -0.241 1
1 833 . 8 1 1 A 65 65 ALA H H 65 8.085 7.753 0.332 1
1 834 . 8 1 1 A 65 65 ALA HA H 65 4.864 3.541 1.323 1
1 838 . 8 1 1 A 65 65 ALA C C 65 178.180 179.131 -0.951 1
1 839 . 8 1 1 A 65 65 ALA CA C 65 54.700 54.807 -0.107 1
1 840 . 8 1 1 A 65 65 ALA CB C 65 19.950 18.066 1.884 1
1 841 . 8 1 1 A 65 65 ALA N N 65 125.150 121.630 3.520 1
1 842 . 8 1 1 A 66 66 LEU H H 66 8.083 8.076 0.007 1
1 843 . 8 1 1 A 66 66 LEU HA H 66 3.560 4.023 -0.463 1
1 853 . 8 1 1 A 66 66 LEU C C 66 177.650 178.375 -0.725 1
1 854 . 8 1 1 A 66 66 LEU CA C 66 59.540 58.464 1.076 1
1 855 . 8 1 1 A 66 66 LEU CB C 66 42.020 41.798 0.222 1
1 859 . 8 1 1 A 66 66 LEU N N 66 118.670 119.520 -0.850 1
1 860 . 8 1 1 A 67 67 ARG H H 67 7.620 8.333 -0.713 1
1 861 . 8 1 1 A 67 67 ARG HA H 67 3.939 3.871 0.068 1
1 868 . 8 1 1 A 67 67 ARG C C 67 178.960 178.802 0.158 1
1 869 . 8 1 1 A 67 67 ARG CA C 67 58.860 59.426 -0.566 1
1 870 . 8 1 1 A 67 67 ARG CB C 67 30.570 29.442 1.128 1
1 873 . 8 1 1 A 67 67 ARG N N 67 114.570 119.109 -4.539 1
1 874 . 8 1 1 A 68 68 THR H H 68 7.850 7.663 0.187 1
1 875 . 8 1 1 A 68 68 THR HA H 68 4.040 4.089 -0.049 1
1 880 . 8 1 1 A 68 68 THR C C 68 175.960 175.971 -0.011 1
1 881 . 8 1 1 A 68 68 THR CA C 68 66.160 65.635 0.525 1
1 882 . 8 1 1 A 68 68 THR CB C 68 69.260 68.588 0.672 1
1 884 . 8 1 1 A 68 68 THR N N 68 112.630 115.475 -2.845 1
1 885 . 8 1 1 A 69 69 MET H H 69 7.934 7.668 0.266 1
1 886 . 8 1 1 A 69 69 MET HA H 69 4.734 4.271 0.463 1
1 894 . 8 1 1 A 69 69 MET C C 69 175.820 176.257 -0.437 1
1 895 . 8 1 1 A 69 69 MET CA C 69 53.560 54.870 -1.310 1
1 896 . 8 1 1 A 69 69 MET CB C 69 29.730 31.676 -1.946 1
1 899 . 8 1 1 A 69 69 MET N N 69 115.080 115.991 -0.911 1
1 900 . 8 1 1 A 70 70 GLN H H 70 7.003 7.287 -0.284 1
1 901 . 8 1 1 A 70 70 GLN HA H 70 4.043 4.147 -0.104 1
1 908 . 8 1 1 A 70 70 GLN C C 70 178.020 176.958 1.062 1
1 909 . 8 1 1 A 70 70 GLN CA C 70 57.710 57.940 -0.230 1
1 910 . 8 1 1 A 70 70 GLN CB C 70 30.080 28.595 1.485 1
1 912 . 8 1 1 A 70 70 GLN N N 70 120.730 119.252 1.478 1
1 914 . 8 1 1 A 71 71 GLY H H 71 8.693 8.847 -0.154 1
1 915 . 8 1 1 A 71 71 GLY HA2 H 71 4.230 3.888 0.342 1
1 916 . 8 1 1 A 71 71 GLY HA3 H 71 3.817 3.889 -0.072 1
1 917 . 8 1 1 A 71 71 GLY C C 71 173.290 174.352 -1.062 1
1 918 . 8 1 1 A 71 71 GLY CA C 71 45.960 45.685 0.275 1
1 919 . 8 1 1 A 71 71 GLY N N 71 118.750 112.690 6.060 1
1 920 . 8 1 1 A 72 72 PHE H H 72 8.426 8.158 0.268 1
1 921 . 8 1 1 A 72 72 PHE HA H 72 4.641 4.492 0.149 1
1 926 . 8 1 1 A 72 72 PHE CA C 72 56.830 57.090 -0.260 1
1 927 . 8 1 1 A 72 72 PHE CB C 72 40.650 39.646 1.004 1
1 928 . 8 1 1 A 72 72 PHE N N 72 124.640 122.156 2.484 1
1 929 . 8 1 1 A 73 73 PRO HA H 73 4.052 4.607 -0.555 1
1 934 . 8 1 1 A 73 73 PRO C C 73 174.500 177.035 -2.535 1
1 935 . 8 1 1 A 73 73 PRO CA C 73 62.460 62.118 0.342 1
1 936 . 8 1 1 A 73 73 PRO CB C 73 30.700 30.276 0.424 1
1 939 . 8 1 1 A 74 74 PHE H H 74 8.382 8.748 -0.366 1
1 940 . 8 1 1 A 74 74 PHE HA H 74 4.235 4.323 -0.088 1
1 945 . 8 1 1 A 74 74 PHE C C 74 175.590 175.074 0.516 1
1 946 . 8 1 1 A 74 74 PHE CA C 74 56.440 61.784 -5.344 1
1 947 . 8 1 1 A 74 74 PHE CB C 74 42.540 39.893 2.647 1
1 950 . 8 1 1 A 74 74 PHE N N 74 128.220 125.075 3.145 1
1 951 . 8 1 1 A 75 75 TYR H H 75 9.185 7.937 1.248 1
1 952 . 8 1 1 A 75 75 TYR HA H 75 3.764 4.954 -1.190 1
1 957 . 8 1 1 A 75 75 TYR C C 75 175.210 175.403 -0.193 1
1 958 . 8 1 1 A 75 75 TYR CA C 75 60.780 56.177 4.603 1
1 959 . 8 1 1 A 75 75 TYR CB C 75 36.110 39.159 -3.049 1
1 962 . 8 1 1 A 75 75 TYR N N 75 128.090 114.583 13.507 1
1 963 . 8 1 1 A 76 76 ASP H H 76 8.306 8.785 -0.479 1
1 964 . 8 1 1 A 76 76 ASP HA H 76 4.075 4.211 -0.136 1
1 967 . 8 1 1 A 76 76 ASP C C 76 175.390 174.580 0.810 1
1 968 . 8 1 1 A 76 76 ASP CA C 76 56.360 55.259 1.101 1
1 969 . 8 1 1 A 76 76 ASP CB C 76 40.510 40.151 0.359 1
1 970 . 8 1 1 A 76 76 ASP N N 76 107.370 121.225 -13.855 1
1 971 . 8 1 1 A 77 77 LYS H H 77 7.687 7.737 -0.050 1
1 972 . 8 1 1 A 77 77 LYS HA H 77 5.020 4.784 0.236 1
1 981 . 8 1 1 A 77 77 LYS CA C 77 53.450 52.935 0.515 1
1 982 . 8 1 1 A 77 77 LYS CB C 77 34.800 34.637 0.163 1
1 986 . 8 1 1 A 77 77 LYS N N 77 118.880 118.582 0.298 1
1 987 . 8 1 1 A 78 78 PRO HA H 78 4.240 4.721 -0.481 1
1 994 . 8 1 1 A 78 78 PRO C C 78 177.470 177.074 0.396 1
1 995 . 8 1 1 A 78 78 PRO CA C 78 62.310 62.798 -0.488 1
1 996 . 8 1 1 A 78 78 PRO CB C 78 31.690 32.392 -0.702 1
1 999 . 8 1 1 A 79 79 MET H H 79 8.696 8.632 0.064 1
1 1000 . 8 1 1 A 79 79 MET HA H 79 4.289 4.495 -0.206 1
1 1008 . 8 1 1 A 79 79 MET C C 79 175.960 176.076 -0.116 1
1 1009 . 8 1 1 A 79 79 MET CA C 79 58.600 56.555 2.045 1
1 1010 . 8 1 1 A 79 79 MET CB C 79 35.200 33.427 1.773 1
1 1013 . 8 1 1 A 79 79 MET N N 79 126.540 121.943 4.597 1
1 1014 . 8 1 1 A 80 80 GLN H H 80 7.779 8.423 -0.644 1
1 1015 . 8 1 1 A 80 80 GLN HA H 80 4.855 5.194 -0.339 1
1 1022 . 8 1 1 A 80 80 GLN C C 80 174.820 174.631 0.189 1
1 1023 . 8 1 1 A 80 80 GLN CA C 80 54.550 54.265 0.285 1
1 1024 . 8 1 1 A 80 80 GLN CB C 80 29.320 31.874 -2.554 1
1 1026 . 8 1 1 A 80 80 GLN N N 80 122.810 120.449 2.361 1
1 1028 . 8 1 1 A 81 81 ILE H H 81 9.682 9.034 0.648 1
1 1029 . 8 1 1 A 81 81 ILE HA H 81 5.010 4.979 0.031 1
1 1039 . 8 1 1 A 81 81 ILE C C 81 174.710 174.589 0.121 1
1 1040 . 8 1 1 A 81 81 ILE CA C 81 60.900 59.503 1.397 1
1 1041 . 8 1 1 A 81 81 ILE CB C 81 40.120 42.567 -2.447 1
1 1045 . 8 1 1 A 81 81 ILE N N 81 126.070 123.190 2.880 1
1 1046 . 8 1 1 A 82 82 ALA H H 82 9.039 8.145 0.894 1
1 1047 . 8 1 1 A 82 82 ALA HA H 82 4.620 4.777 -0.157 1
1 1051 . 8 1 1 A 82 82 ALA C C 82 176.700 175.672 1.028 1
1 1052 . 8 1 1 A 82 82 ALA CA C 82 50.890 51.419 -0.529 1
1 1053 . 8 1 1 A 82 82 ALA CB C 82 23.420 22.801 0.619 1
1 1054 . 8 1 1 A 82 82 ALA N N 82 130.310 123.653 6.657 1
1 1055 . 8 1 1 A 83 83 TYR H H 83 8.411 8.349 0.062 1
1 1056 . 8 1 1 A 83 83 TYR HA H 83 4.905 4.761 0.144 1
1 1061 . 8 1 1 A 83 83 TYR C C 83 176.900 175.783 1.117 1
1 1062 . 8 1 1 A 83 83 TYR CA C 83 59.280 57.445 1.835 1
1 1063 . 8 1 1 A 83 83 TYR CB C 83 39.350 39.860 -0.510 1
1 1065 . 8 1 1 A 83 83 TYR N N 83 118.580 119.331 -0.751 1
1 1066 . 8 1 1 A 84 84 SER H H 84 8.452 8.851 -0.399 1
1 1067 . 8 1 1 A 84 84 SER HA H 84 4.248 4.583 -0.335 1
1 1070 . 8 1 1 A 84 84 SER C C 84 174.220 174.418 -0.198 1
1 1071 . 8 1 1 A 84 84 SER CA C 84 58.560 59.654 -1.094 1
1 1072 . 8 1 1 A 84 84 SER CB C 84 64.100 64.104 -0.004 1
1 1073 . 8 1 1 A 84 84 SER N N 84 115.040 118.325 -3.285 1
1 1074 . 8 1 1 A 85 85 LYS H H 85 8.443 8.357 0.086 1
1 1075 . 8 1 1 A 85 85 LYS HA H 85 4.275 4.731 -0.456 1
1 1080 . 8 1 1 A 85 85 LYS C C 85 177.080 176.760 0.320 1
1 1081 . 8 1 1 A 85 85 LYS CA C 85 56.960 55.278 1.682 1
1 1082 . 8 1 1 A 85 85 LYS CB C 85 33.150 33.405 -0.255 1
1 1086 . 8 1 1 A 85 85 LYS N N 85 123.610 125.040 -1.430 1
1 1087 . 8 1 1 A 86 86 SER H H 86 8.204 7.896 0.308 1
1 1088 . 8 1 1 A 86 86 SER HA H 86 4.335 4.401 -0.066 1
1 1090 . 8 1 1 A 86 86 SER C C 86 174.080 174.357 -0.277 1
1 1091 . 8 1 1 A 86 86 SER CA C 86 58.400 59.452 -1.052 1
1 1092 . 8 1 1 A 86 86 SER CB C 86 63.750 62.443 1.307 1
1 1093 . 8 1 1 A 86 86 SER N N 86 115.780 115.475 0.305 1
1 1094 . 8 1 1 A 87 87 ASP H H 87 8.435 7.937 0.498 1
1 1095 . 8 1 1 A 87 87 ASP HA H 87 4.578 4.156 0.422 1
1 1098 . 8 1 1 A 87 87 ASP C C 87 176.630 178.484 -1.854 1
1 1099 . 8 1 1 A 87 87 ASP CA C 87 54.260 57.907 -3.647 1
1 1100 . 8 1 1 A 87 87 ASP CB C 87 40.780 41.939 -1.159 1
1 1101 . 8 1 1 A 87 87 ASP N N 87 121.910 123.532 -1.622 1
1 1102 . 8 1 1 A 88 88 SER H H 88 8.061 8.089 -0.028 1
1 1103 . 8 1 1 A 88 88 SER HA H 88 4.328 4.169 0.159 1
1 1106 . 8 1 1 A 88 88 SER C C 88 174.840 175.853 -1.013 1
1 1107 . 8 1 1 A 88 88 SER CA C 88 58.800 61.513 -2.713 1
1 1108 . 8 1 1 A 88 88 SER CB C 88 63.870 62.866 1.004 1
1 1109 . 8 1 1 A 88 88 SER N N 88 116.440 115.965 0.475 1
1 1110 . 8 1 1 A 89 89 ASP H H 89 8.556 7.852 0.704 1
1 1111 . 8 1 1 A 89 89 ASP HA H 89 4.460 4.430 0.030 1
1 1114 . 8 1 1 A 89 89 ASP C C 89 177.450 178.371 -0.921 1
1 1115 . 8 1 1 A 89 89 ASP CA C 89 56.110 57.443 -1.333 1
1 1116 . 8 1 1 A 89 89 ASP CB C 89 40.500 41.050 -0.550 1
1 1117 . 8 1 1 A 89 89 ASP N N 89 123.080 121.374 1.706 1
1 1118 . 8 1 1 A 90 90 ILE H H 90 7.756 7.876 -0.120 1
1 1119 . 8 1 1 A 90 90 ILE HA H 90 3.829 3.805 0.024 1
1 1129 . 8 1 1 A 90 90 ILE C C 90 177.060 178.013 -0.953 1
1 1130 . 8 1 1 A 90 90 ILE CA C 90 63.070 64.586 -1.516 1
1 1131 . 8 1 1 A 90 90 ILE CB C 90 38.290 37.355 0.935 1
1 1135 . 8 1 1 A 90 90 ILE N N 90 119.250 118.252 0.998 1
1 1136 . 8 1 1 A 91 91 VAL H H 91 7.459 8.431 -0.972 1
1 1137 . 8 1 1 A 91 91 VAL HA H 91 3.613 3.543 0.070 1
1 1145 . 8 1 1 A 91 91 VAL C C 91 177.080 177.806 -0.726 1
1 1146 . 8 1 1 A 91 91 VAL CA C 91 65.250 66.602 -1.352 1
1 1147 . 8 1 1 A 91 91 VAL CB C 91 31.970 31.578 0.392 1
1 1150 . 8 1 1 A 91 91 VAL N N 91 121.040 121.921 -0.881 1
1 1151 . 8 1 1 A 92 92 ALA H H 92 8.076 8.149 -0.073 1
1 1152 . 8 1 1 A 92 92 ALA HA H 92 4.098 3.893 0.205 1
1 1156 . 8 1 1 A 92 92 ALA C C 92 179.510 179.802 -0.292 1
1 1157 . 8 1 1 A 92 92 ALA CA C 92 54.180 55.662 -1.482 1
1 1158 . 8 1 1 A 92 92 ALA CB C 92 18.660 18.553 0.107 1
1 1159 . 8 1 1 A 92 92 ALA N N 92 122.880 121.753 1.127 1
1 1160 . 8 1 1 A 93 93 LYS H H 93 7.946 8.238 -0.292 1
1 1161 . 8 1 1 A 93 93 LYS HA H 93 4.136 3.988 0.148 1
1 1170 . 8 1 1 A 93 93 LYS C C 93 178.300 179.354 -1.054 1
1 1171 . 8 1 1 A 93 93 LYS CA C 93 58.000 59.569 -1.569 1
1 1172 . 8 1 1 A 93 93 LYS CB C 93 32.550 32.376 0.174 1
1 1176 . 8 1 1 A 93 93 LYS N N 93 118.800 117.429 1.371 1
1 1177 . 8 1 1 A 94 94 ILE H H 94 7.894 7.738 0.156 1
1 1178 . 8 1 1 A 94 94 ILE HA H 94 3.906 3.927 -0.021 1
1 1188 . 8 1 1 A 94 94 ILE C C 94 177.720 178.217 -0.497 1
1 1189 . 8 1 1 A 94 94 ILE CA C 94 63.200 62.323 0.877 1
1 1190 . 8 1 1 A 94 94 ILE CB C 94 38.330 36.929 1.401 1
1 1194 . 8 1 1 A 94 94 ILE N N 94 120.760 117.322 3.438 1
1 1195 . 8 1 1 A 95 95 LYS H H 95 8.310 8.146 0.164 1
1 1196 . 8 1 1 A 95 95 LYS HA H 95 4.083 4.084 -0.001 1
1 1205 . 8 1 1 A 95 95 LYS C C 95 177.660 177.223 0.437 1
1 1206 . 8 1 1 A 95 95 LYS CA C 95 57.930 58.275 -0.345 1
1 1207 . 8 1 1 A 95 95 LYS CB C 95 32.860 32.923 -0.063 1
1 1211 . 8 1 1 A 95 95 LYS N N 95 121.330 121.119 0.211 1
1 1212 . 8 1 1 A 96 96 GLY H H 96 8.122 7.545 0.577 1
1 1213 . 8 1 1 A 96 96 GLY HA2 H 96 3.999 4.003 -0.004 1
1 1214 . 8 1 1 A 96 96 GLY HA3 H 96 3.999 4.012 -0.013 1
1 1215 . 8 1 1 A 96 96 GLY C C 96 174.640 173.322 1.318 1
1 1216 . 8 1 1 A 96 96 GLY CA C 96 45.660 45.798 -0.138 1
1 1217 . 8 1 1 A 96 96 GLY N N 96 107.870 105.101 2.769 1
1 1218 . 8 1 1 A 97 97 THR H H 97 7.968 7.291 0.677 1
1 1219 . 8 1 1 A 97 97 THR HA H 97 4.294 4.818 -0.524 1
1 1224 . 8 1 1 A 97 97 THR C C 97 174.590 174.509 0.081 1
1 1225 . 8 1 1 A 97 97 THR CA C 97 62.160 61.029 1.131 1
1 1226 . 8 1 1 A 97 97 THR CB C 97 69.630 72.293 -2.663 1
1 1228 . 8 1 1 A 97 97 THR N N 97 112.820 111.649 1.171 1
1 1229 . 8 1 1 A 98 98 PHE H H 98 7.938 8.893 -0.955 1
1 1230 . 8 1 1 A 98 98 PHE HA H 98 4.552 4.310 0.242 1
1 1235 . 8 1 1 A 98 98 PHE C C 98 175.370 175.823 -0.453 1
1 1236 . 8 1 1 A 98 98 PHE CA C 98 58.150 59.551 -1.401 1
1 1237 . 8 1 1 A 98 98 PHE CB C 98 39.550 37.972 1.578 1
1 1239 . 8 1 1 A 98 98 PHE N N 98 122.400 122.669 -0.269 1
1 1240 . 8 1 1 A 99 99 LYS H H 99 7.986 7.485 0.501 1
1 1241 . 8 1 1 A 99 99 LYS HA H 99 4.242 4.473 -0.231 1
1 1250 . 8 1 1 A 99 99 LYS C C 99 175.750 175.552 0.198 1
1 1251 . 8 1 1 A 99 99 LYS CA C 99 56.030 55.616 0.414 1
1 1252 . 8 1 1 A 99 99 LYS CB C 99 33.390 33.637 -0.247 1
1 1256 . 8 1 1 A 99 99 LYS N N 99 123.810 113.712 10.098 1
1 1257 . 8 1 1 A 100 100 GLU H H 100 8.247 7.324 0.923 1
1 1258 . 8 1 1 A 100 100 GLU HA H 100 4.202 4.926 -0.724 1
1 1263 . 8 1 1 A 100 100 GLU C C 100 176.210 175.001 1.209 1
1 1264 . 8 1 1 A 100 100 GLU CA C 100 56.270 54.866 1.404 1
1 1265 . 8 1 1 A 100 100 GLU CB C 100 30.550 33.353 -2.803 1
1 1267 . 8 1 1 A 100 100 GLU N N 100 122.270 120.896 1.374 1
1 1268 . 8 1 1 A 101 101 ARG H H 101 8.415 8.584 -0.169 1
1 1269 . 8 1 1 A 101 101 ARG HA H 101 4.590 4.368 0.222 1
1 1276 . 8 1 1 A 101 101 ARG CA C 101 53.980 54.622 -0.642 1
1 1277 . 8 1 1 A 101 101 ARG CB C 101 30.070 29.741 0.329 1
1 1280 . 8 1 1 A 101 101 ARG N N 101 123.970 125.699 -1.729 1
1 1281 . 8 1 1 A 102 102 PRO HA H 102 4.421 4.448 -0.027 1
1 1288 . 8 1 1 A 102 102 PRO C C 102 176.700 176.836 -0.136 1
1 1289 . 8 1 1 A 102 102 PRO CA C 102 63.090 64.763 -1.673 1
1 1290 . 8 1 1 A 102 102 PRO CB C 102 32.160 32.213 -0.053 1
1 1293 . 8 1 1 A 103 103 LYS H H 103 8.445 7.671 0.774 1
1 1294 . 8 1 1 A 103 103 LYS HA H 103 4.294 4.859 -0.565 1
1 1303 . 8 1 1 A 103 103 LYS C C 103 175.690 175.758 -0.068 1
1 1304 . 8 1 1 A 103 103 LYS CA C 103 56.380 54.770 1.610 1
1 1305 . 8 1 1 A 103 103 LYS CB C 103 33.150 36.919 -3.769 1
1 1309 . 8 1 1 A 103 103 LYS N N 103 122.480 117.956 4.524 1
1 1 . 9 1 1 A 2 2 GLU HA H 2 4.372 4.540 -0.168 1
1 6 . 9 1 1 A 2 2 GLU C C 2 175.830 174.936 0.894 1
1 7 . 9 1 1 A 2 2 GLU CA C 2 56.340 57.785 -1.445 1
1 8 . 9 1 1 A 2 2 GLU CB C 2 30.550 33.044 -2.494 1
1 10 . 9 1 1 A 3 3 MET H H 3 8.529 7.920 0.609 1
1 11 . 9 1 1 A 3 3 MET HA H 3 4.534 4.963 -0.429 1
1 19 . 9 1 1 A 3 3 MET C C 3 175.350 175.786 -0.436 1
1 20 . 9 1 1 A 3 3 MET CA C 3 54.950 54.072 0.878 1
1 21 . 9 1 1 A 3 3 MET CB C 3 33.150 36.040 -2.890 1
1 24 . 9 1 1 A 3 3 MET N N 3 122.340 118.419 3.921 1
1 25 . 9 1 1 A 4 4 LEU H H 4 8.265 8.201 0.064 1
1 26 . 9 1 1 A 4 4 LEU HA H 4 4.579 4.251 0.328 1
1 36 . 9 1 1 A 4 4 LEU CA C 4 52.620 53.708 -1.088 1
1 37 . 9 1 1 A 4 4 LEU CB C 4 41.780 41.911 -0.131 1
1 41 . 9 1 1 A 4 4 LEU N N 4 125.280 123.385 1.895 1
1 42 . 9 1 1 A 5 5 PRO HA H 5 4.268 4.676 -0.408 1
1 49 . 9 1 1 A 5 5 PRO C C 5 175.390 175.235 0.155 1
1 50 . 9 1 1 A 5 5 PRO CA C 5 62.620 63.137 -0.517 1
1 51 . 9 1 1 A 5 5 PRO CB C 5 32.300 32.121 0.179 1
1 54 . 9 1 1 A 6 6 ASN H H 6 6.913 9.046 -2.133 1
1 55 . 9 1 1 A 6 6 ASN HA H 6 4.460 5.183 -0.723 1
1 60 . 9 1 1 A 6 6 ASN C C 6 172.390 174.907 -2.517 1
1 61 . 9 1 1 A 6 6 ASN CA C 6 52.920 52.479 0.441 1
1 62 . 9 1 1 A 6 6 ASN CB C 6 41.920 41.896 0.024 1
1 63 . 9 1 1 A 6 6 ASN N N 6 117.610 120.691 -3.081 1
1 65 . 9 1 1 A 7 7 GLN H H 7 8.465 8.473 -0.008 1
1 66 . 9 1 1 A 7 7 GLN HA H 7 4.164 4.309 -0.145 1
1 73 . 9 1 1 A 7 7 GLN C C 7 175.020 176.004 -0.984 1
1 74 . 9 1 1 A 7 7 GLN CA C 7 58.100 58.517 -0.417 1
1 75 . 9 1 1 A 7 7 GLN CB C 7 29.270 28.906 0.364 1
1 77 . 9 1 1 A 7 7 GLN N N 7 116.430 121.998 -5.568 1
1 79 . 9 1 1 A 8 8 THR H H 8 8.374 8.159 0.215 1
1 80 . 9 1 1 A 8 8 THR HA H 8 5.399 5.158 0.241 1
1 85 . 9 1 1 A 8 8 THR C C 8 173.700 174.277 -0.577 1
1 86 . 9 1 1 A 8 8 THR CA C 8 62.380 62.035 0.345 1
1 87 . 9 1 1 A 8 8 THR CB C 8 69.100 71.075 -1.975 1
1 89 . 9 1 1 A 8 8 THR N N 8 118.220 114.041 4.179 1
1 90 . 9 1 1 A 9 9 ILE H H 9 8.794 9.459 -0.665 1
1 91 . 9 1 1 A 9 9 ILE HA H 9 5.085 5.489 -0.404 1
1 101 . 9 1 1 A 9 9 ILE C C 9 173.490 173.816 -0.326 1
1 102 . 9 1 1 A 9 9 ILE CA C 9 59.000 59.331 -0.331 1
1 103 . 9 1 1 A 9 9 ILE CB C 9 39.710 42.470 -2.760 1
1 107 . 9 1 1 A 9 9 ILE N N 9 118.250 121.237 -2.987 1
1 108 . 9 1 1 A 10 10 TYR H H 10 9.384 9.158 0.226 1
1 109 . 9 1 1 A 10 10 TYR HA H 10 5.032 5.110 -0.078 1
1 116 . 9 1 1 A 10 10 TYR C C 10 173.920 173.468 0.452 1
1 117 . 9 1 1 A 10 10 TYR CA C 10 55.240 56.152 -0.912 1
1 118 . 9 1 1 A 10 10 TYR CB C 10 40.700 42.035 -1.335 1
1 123 . 9 1 1 A 10 10 TYR N N 10 124.310 124.620 -0.310 1
1 124 . 9 1 1 A 11 11 ILE H H 11 9.000 8.881 0.119 1
1 125 . 9 1 1 A 11 11 ILE HA H 11 4.629 4.998 -0.369 1
1 135 . 9 1 1 A 11 11 ILE C C 11 180.280 174.239 6.041 1
1 136 . 9 1 1 A 11 11 ILE CA C 11 60.050 59.044 1.006 1
1 137 . 9 1 1 A 11 11 ILE CB C 11 40.350 40.730 -0.380 1
1 141 . 9 1 1 A 11 11 ILE N N 11 126.640 126.567 0.073 1
1 142 . 9 1 1 A 12 12 ASN H H 12 8.844 8.954 -0.110 1
1 143 . 9 1 1 A 12 12 ASN HA H 12 5.267 4.845 0.422 1
1 148 . 9 1 1 A 12 12 ASN C C 12 174.640 174.429 0.211 1
1 149 . 9 1 1 A 12 12 ASN CA C 12 50.860 51.176 -0.316 1
1 150 . 9 1 1 A 12 12 ASN CB C 12 41.400 42.437 -1.037 1
1 151 . 9 1 1 A 12 12 ASN N N 12 123.520 123.305 0.215 1
1 153 . 9 1 1 A 13 13 ASN H H 13 8.689 8.887 -0.198 1
1 154 . 9 1 1 A 13 13 ASN HA H 13 4.456 4.313 0.143 1
1 159 . 9 1 1 A 13 13 ASN C C 13 176.140 175.056 1.084 1
1 160 . 9 1 1 A 13 13 ASN CA C 13 53.920 53.978 -0.058 1
1 161 . 9 1 1 A 13 13 ASN CB C 13 39.360 37.444 1.916 1
1 162 . 9 1 1 A 13 13 ASN N N 13 115.910 119.129 -3.219 1
1 164 . 9 1 1 A 14 14 LEU H H 14 8.221 7.923 0.298 1
1 165 . 9 1 1 A 14 14 LEU HA H 14 4.350 4.367 -0.017 1
1 175 . 9 1 1 A 14 14 LEU C C 14 177.880 176.703 1.177 1
1 176 . 9 1 1 A 14 14 LEU CA C 14 54.000 55.366 -1.366 1
1 177 . 9 1 1 A 14 14 LEU CB C 14 42.830 43.257 -0.427 1
1 181 . 9 1 1 A 14 14 LEU N N 14 116.310 120.562 -4.252 1
1 182 . 9 1 1 A 15 15 ASN H H 15 9.226 8.807 0.419 1
1 183 . 9 1 1 A 15 15 ASN HA H 15 4.225 4.642 -0.417 1
1 188 . 9 1 1 A 15 15 ASN C C 15 176.150 177.161 -1.011 1
1 189 . 9 1 1 A 15 15 ASN CA C 15 54.210 53.605 0.605 1
1 190 . 9 1 1 A 15 15 ASN CB C 15 38.050 38.309 -0.259 1
1 191 . 9 1 1 A 15 15 ASN N N 15 120.300 124.357 -4.057 1
1 193 . 9 1 1 A 16 16 GLU H H 16 9.234 8.832 0.402 1
1 194 . 9 1 1 A 16 16 GLU HA H 16 4.110 4.055 0.055 1
1 199 . 9 1 1 A 16 16 GLU C C 16 176.510 178.170 -1.660 1
1 200 . 9 1 1 A 16 16 GLU CA C 16 57.800 59.446 -1.646 1
1 201 . 9 1 1 A 16 16 GLU CB C 16 29.300 29.032 0.268 1
1 203 . 9 1 1 A 16 16 GLU N N 16 128.160 125.027 3.133 1
1 204 . 9 1 1 A 17 17 LYS H H 17 8.421 8.292 0.129 1
1 205 . 9 1 1 A 17 17 LYS HA H 17 4.170 4.143 0.027 1
1 214 . 9 1 1 A 17 17 LYS C C 17 176.700 176.825 -0.125 1
1 215 . 9 1 1 A 17 17 LYS CA C 17 56.750 58.537 -1.787 1
1 216 . 9 1 1 A 17 17 LYS CB C 17 32.370 31.845 0.525 1
1 220 . 9 1 1 A 17 17 LYS N N 17 118.450 116.608 1.842 1
1 221 . 9 1 1 A 18 18 ILE H H 18 6.751 7.432 -0.681 1
1 222 . 9 1 1 A 18 18 ILE HA H 18 3.830 3.848 -0.018 1
1 232 . 9 1 1 A 18 18 ILE C C 18 176.560 175.669 0.891 1
1 233 . 9 1 1 A 18 18 ILE CA C 18 58.640 61.927 -3.287 1
1 234 . 9 1 1 A 18 18 ILE CB C 18 35.940 37.861 -1.921 1
1 238 . 9 1 1 A 18 18 ILE N N 18 118.790 122.620 -3.830 1
1 239 . 9 1 1 A 19 19 LYS H H 19 8.815 8.664 0.151 1
1 240 . 9 1 1 A 19 19 LYS HA H 19 4.189 4.182 0.007 1
1 249 . 9 1 1 A 19 19 LYS C C 19 178.340 177.700 0.640 1
1 250 . 9 1 1 A 19 19 LYS CA C 19 57.250 56.412 0.838 1
1 251 . 9 1 1 A 19 19 LYS CB C 19 32.800 33.846 -1.046 1
1 255 . 9 1 1 A 19 19 LYS N N 19 129.030 128.509 0.521 1
1 256 . 9 1 1 A 20 20 LYS H H 20 9.032 9.064 -0.032 1
1 257 . 9 1 1 A 20 20 LYS HA H 20 3.854 3.875 -0.021 1
1 266 . 9 1 1 A 20 20 LYS C C 20 178.390 177.927 0.463 1
1 267 . 9 1 1 A 20 20 LYS CA C 20 59.740 60.408 -0.668 1
1 268 . 9 1 1 A 20 20 LYS CB C 20 31.390 32.082 -0.692 1
1 272 . 9 1 1 A 20 20 LYS N N 20 123.440 127.025 -3.585 1
1 273 . 9 1 1 A 21 21 GLU H H 21 9.341 8.077 1.264 1
1 274 . 9 1 1 A 21 21 GLU HA H 21 4.074 4.073 0.001 1
1 279 . 9 1 1 A 21 21 GLU C C 21 179.120 179.335 -0.215 1
1 280 . 9 1 1 A 21 21 GLU CA C 21 60.270 59.416 0.854 1
1 281 . 9 1 1 A 21 21 GLU CB C 21 28.840 28.986 -0.146 1
1 283 . 9 1 1 A 21 21 GLU N N 21 117.890 118.206 -0.316 1
1 284 . 9 1 1 A 22 22 GLU H H 22 6.994 8.141 -1.147 1
1 285 . 9 1 1 A 22 22 GLU HA H 22 4.166 4.113 0.053 1
1 290 . 9 1 1 A 22 22 GLU C C 22 178.200 179.049 -0.849 1
1 291 . 9 1 1 A 22 22 GLU CA C 22 58.530 59.069 -0.539 1
1 292 . 9 1 1 A 22 22 GLU CB C 22 29.180 30.032 -0.852 1
1 294 . 9 1 1 A 22 22 GLU N N 22 119.810 120.116 -0.306 1
1 295 . 9 1 1 A 23 23 LEU H H 23 8.462 8.462 0.000 1
1 296 . 9 1 1 A 23 23 LEU HA H 23 3.981 4.238 -0.257 1
1 306 . 9 1 1 A 23 23 LEU C C 23 178.780 178.464 0.316 1
1 307 . 9 1 1 A 23 23 LEU CA C 23 58.840 58.270 0.570 1
1 308 . 9 1 1 A 23 23 LEU CB C 23 42.420 41.811 0.609 1
1 312 . 9 1 1 A 23 23 LEU N N 23 121.220 121.339 -0.119 1
1 313 . 9 1 1 A 24 24 LYS H H 24 8.411 8.484 -0.073 1
1 314 . 9 1 1 A 24 24 LYS HA H 24 3.808 4.016 -0.208 1
1 323 . 9 1 1 A 24 24 LYS C C 24 178.200 178.888 -0.688 1
1 324 . 9 1 1 A 24 24 LYS CA C 24 61.500 59.649 1.851 1
1 325 . 9 1 1 A 24 24 LYS CB C 24 32.500 32.427 0.073 1
1 329 . 9 1 1 A 24 24 LYS N N 24 116.620 118.907 -2.287 1
1 330 . 9 1 1 A 25 25 LYS H H 25 7.592 8.086 -0.494 1
1 331 . 9 1 1 A 25 25 LYS HA H 25 4.181 4.160 0.021 1
1 340 . 9 1 1 A 25 25 LYS C C 25 180.280 179.202 1.078 1
1 341 . 9 1 1 A 25 25 LYS CA C 25 60.140 59.358 0.782 1
1 342 . 9 1 1 A 25 25 LYS CB C 25 32.690 32.293 0.397 1
1 346 . 9 1 1 A 25 25 LYS N N 25 118.830 119.859 -1.029 1
1 347 . 9 1 1 A 26 26 SER H H 26 8.845 8.472 0.373 1
1 348 . 9 1 1 A 26 26 SER HA H 26 4.570 4.178 0.392 1
1 351 . 9 1 1 A 26 26 SER C C 26 176.880 176.359 0.521 1
1 352 . 9 1 1 A 26 26 SER CA C 26 62.210 62.386 -0.176 1
1 353 . 9 1 1 A 26 26 SER CB C 26 63.320 63.318 0.002 1
1 354 . 9 1 1 A 26 26 SER N N 26 117.880 117.276 0.604 1
1 355 . 9 1 1 A 27 27 LEU H H 27 9.040 8.602 0.438 1
1 356 . 9 1 1 A 27 27 LEU HA H 27 4.190 4.175 0.015 1
1 366 . 9 1 1 A 27 27 LEU C C 27 179.100 178.998 0.102 1
1 367 . 9 1 1 A 27 27 LEU CA C 27 57.960 57.864 0.096 1
1 368 . 9 1 1 A 27 27 LEU CB C 27 43.030 42.119 0.911 1
1 372 . 9 1 1 A 27 27 LEU N N 27 122.840 121.404 1.436 1
1 373 . 9 1 1 A 28 28 TYR H H 28 8.535 8.683 -0.148 1
1 374 . 9 1 1 A 28 28 TYR HA H 28 3.826 4.118 -0.292 1
1 379 . 9 1 1 A 28 28 TYR C C 28 178.360 178.505 -0.145 1
1 380 . 9 1 1 A 28 28 TYR CA C 28 63.220 62.264 0.956 1
1 381 . 9 1 1 A 28 28 TYR CB C 28 38.320 38.721 -0.401 1
1 384 . 9 1 1 A 28 28 TYR N N 28 121.030 119.380 1.650 1
1 385 . 9 1 1 A 29 29 ALA H H 29 8.009 8.382 -0.373 1
1 386 . 9 1 1 A 29 29 ALA HA H 29 3.364 4.129 -0.765 1
1 390 . 9 1 1 A 29 29 ALA CA C 29 55.420 54.967 0.453 1
1 391 . 9 1 1 A 29 29 ALA CB C 29 18.920 18.927 -0.007 1
1 392 . 9 1 1 A 29 29 ALA N N 29 120.570 121.496 -0.926 1
1 393 . 9 1 1 A 30 30 ILE HA H 30 4.048 4.187 -0.139 1
1 403 . 9 1 1 A 30 30 ILE C C 30 177.270 177.856 -0.586 1
1 404 . 9 1 1 A 30 30 ILE CA C 30 63.380 63.172 0.208 1
1 405 . 9 1 1 A 30 30 ILE CB C 30 38.850 39.740 -0.890 1
1 409 . 9 1 1 A 31 31 PHE H H 31 8.446 8.909 -0.463 1
1 410 . 9 1 1 A 31 31 PHE HA H 31 4.900 4.463 0.437 1
1 415 . 9 1 1 A 31 31 PHE C C 31 177.820 178.174 -0.354 1
1 416 . 9 1 1 A 31 31 PHE CA C 31 62.380 60.769 1.611 1
1 417 . 9 1 1 A 31 31 PHE CB C 31 38.900 38.256 0.644 1
1 418 . 9 1 1 A 31 31 PHE N N 31 115.770 119.693 -3.923 1
1 419 . 9 1 1 A 32 32 SER H H 32 8.392 7.979 0.413 1
1 420 . 9 1 1 A 32 32 SER HA H 32 4.365 4.344 0.021 1
1 423 . 9 1 1 A 32 32 SER C C 32 176.140 176.633 -0.493 1
1 424 . 9 1 1 A 32 32 SER CA C 32 61.680 62.095 -0.415 1
1 425 . 9 1 1 A 32 32 SER CB C 32 62.460 62.731 -0.271 1
1 426 . 9 1 1 A 32 32 SER N N 32 116.890 115.713 1.177 1
1 427 . 9 1 1 A 33 33 GLN H H 33 7.310 7.929 -0.619 1
1 428 . 9 1 1 A 33 33 GLN HA H 33 4.059 4.007 0.052 1
1 435 . 9 1 1 A 33 33 GLN C C 33 176.330 176.773 -0.443 1
1 436 . 9 1 1 A 33 33 GLN CA C 33 57.220 57.730 -0.510 1
1 437 . 9 1 1 A 33 33 GLN CB C 33 28.040 28.619 -0.579 1
1 439 . 9 1 1 A 33 33 GLN N N 33 117.530 119.660 -2.130 1
1 441 . 9 1 1 A 34 34 PHE H H 34 7.626 7.630 -0.004 1
1 442 . 9 1 1 A 34 34 PHE HA H 34 4.435 4.528 -0.093 1
1 447 . 9 1 1 A 34 34 PHE C C 34 175.590 175.839 -0.249 1
1 448 . 9 1 1 A 34 34 PHE CA C 34 59.410 58.119 1.291 1
1 449 . 9 1 1 A 34 34 PHE CB C 34 39.380 39.731 -0.351 1
1 452 . 9 1 1 A 34 34 PHE N N 34 116.090 116.231 -0.141 1
1 453 . 9 1 1 A 35 35 GLY H H 35 7.595 7.403 0.192 1
1 454 . 9 1 1 A 35 35 GLY HA2 H 35 3.960 3.989 -0.029 1
1 455 . 9 1 1 A 35 35 GLY HA3 H 35 4.612 4.065 0.547 1
1 456 . 9 1 1 A 35 35 GLY C C 35 170.890 174.511 -3.621 1
1 457 . 9 1 1 A 35 35 GLY CA C 35 44.160 45.521 -1.361 1
1 458 . 9 1 1 A 35 35 GLY N N 35 107.470 105.823 1.647 1
1 459 . 9 1 1 A 36 36 GLN H H 36 8.404 8.460 -0.056 1
1 460 . 9 1 1 A 36 36 GLN HA H 36 4.275 4.134 0.141 1
1 467 . 9 1 1 A 36 36 GLN C C 36 176.650 175.225 1.425 1
1 468 . 9 1 1 A 36 36 GLN CA C 36 57.180 56.554 0.626 1
1 469 . 9 1 1 A 36 36 GLN CB C 36 29.360 27.529 1.831 1
1 471 . 9 1 1 A 36 36 GLN N N 36 116.620 118.389 -1.769 1
1 473 . 9 1 1 A 37 37 ILE H H 37 9.009 8.000 1.009 1
1 474 . 9 1 1 A 37 37 ILE HA H 37 4.068 3.688 0.380 1
1 484 . 9 1 1 A 37 37 ILE C C 37 176.530 175.970 0.560 1
1 485 . 9 1 1 A 37 37 ILE CA C 37 61.270 62.176 -0.906 1
1 486 . 9 1 1 A 37 37 ILE CB C 37 40.600 38.086 2.514 1
1 490 . 9 1 1 A 37 37 ILE N N 37 129.370 128.040 1.330 1
1 491 . 9 1 1 A 38 38 LEU H H 38 9.472 9.406 0.066 1
1 492 . 9 1 1 A 38 38 LEU HA H 38 4.291 4.541 -0.250 1
1 502 . 9 1 1 A 38 38 LEU C C 38 176.900 175.369 1.531 1
1 503 . 9 1 1 A 38 38 LEU CA C 38 56.520 55.844 0.676 1
1 504 . 9 1 1 A 38 38 LEU CB C 38 42.030 44.979 -2.949 1
1 508 . 9 1 1 A 38 38 LEU N N 38 128.180 128.021 0.159 1
1 509 . 9 1 1 A 39 39 ASP H H 39 7.493 7.650 -0.157 1
1 510 . 9 1 1 A 39 39 ASP HA H 39 4.715 4.955 -0.240 1
1 513 . 9 1 1 A 39 39 ASP C C 39 173.560 173.755 -0.195 1
1 514 . 9 1 1 A 39 39 ASP CA C 39 53.510 53.473 0.037 1
1 515 . 9 1 1 A 39 39 ASP CB C 39 44.160 43.796 0.364 1
1 516 . 9 1 1 A 39 39 ASP N N 39 114.640 117.187 -2.547 1
1 517 . 9 1 1 A 40 40 ILE H H 40 8.537 8.510 0.027 1
1 518 . 9 1 1 A 40 40 ILE HA H 40 4.722 4.861 -0.139 1
1 528 . 9 1 1 A 40 40 ILE C C 40 174.090 174.844 -0.754 1
1 529 . 9 1 1 A 40 40 ILE CA C 40 61.060 59.874 1.186 1
1 530 . 9 1 1 A 40 40 ILE CB C 40 41.220 42.145 -0.925 1
1 534 . 9 1 1 A 40 40 ILE N N 40 119.670 121.920 -2.250 1
1 535 . 9 1 1 A 41 41 VAL H H 41 8.807 8.875 -0.068 1
1 536 . 9 1 1 A 41 41 VAL HA H 41 4.195 4.926 -0.731 1
1 544 . 9 1 1 A 41 41 VAL C C 41 174.470 174.499 -0.029 1
1 545 . 9 1 1 A 41 41 VAL CA C 41 61.020 61.020 0.000 1
1 546 . 9 1 1 A 41 41 VAL CB C 41 34.160 34.518 -0.358 1
1 549 . 9 1 1 A 41 41 VAL N N 41 127.000 126.033 0.967 1
1 550 . 9 1 1 A 42 42 ALA H H 42 8.708 8.776 -0.068 1
1 551 . 9 1 1 A 42 42 ALA HA H 42 4.796 5.027 -0.231 1
1 555 . 9 1 1 A 42 42 ALA C C 42 175.210 175.657 -0.447 1
1 556 . 9 1 1 A 42 42 ALA CA C 42 51.430 51.411 0.019 1
1 557 . 9 1 1 A 42 42 ALA CB C 42 19.780 24.023 -4.243 1
1 558 . 9 1 1 A 42 42 ALA N N 42 130.100 128.049 2.051 1
1 559 . 9 1 1 A 43 43 LEU H H 43 8.224 8.426 -0.202 1
1 560 . 9 1 1 A 43 43 LEU HA H 43 4.575 4.914 -0.339 1
1 570 . 9 1 1 A 43 43 LEU CA C 43 54.620 53.471 1.149 1
1 571 . 9 1 1 A 43 43 LEU CB C 43 43.640 46.276 -2.636 1
1 575 . 9 1 1 A 43 43 LEU N N 43 122.270 119.647 2.623 1
1 576 . 9 1 1 A 44 44 LYS HA H 44 4.570 4.171 0.399 1
1 585 . 9 1 1 A 44 44 LYS CA C 44 56.000 58.388 -2.388 1
1 586 . 9 1 1 A 44 44 LYS CB C 44 32.940 32.524 0.416 1
1 590 . 9 1 1 A 45 45 THR H H 45 7.706 7.468 0.238 1
1 591 . 9 1 1 A 45 45 THR HA H 45 4.494 4.215 0.279 1
1 596 . 9 1 1 A 45 45 THR CA C 45 60.500 62.035 -1.535 1
1 597 . 9 1 1 A 45 45 THR CB C 45 70.450 69.914 0.536 1
1 599 . 9 1 1 A 45 45 THR N N 45 113.650 112.353 1.297 1
1 600 . 9 1 1 A 46 46 LEU HA H 46 4.142 4.090 0.052 1
1 610 . 9 1 1 A 46 46 LEU C C 46 179.030 178.465 0.565 1
1 611 . 9 1 1 A 46 46 LEU CA C 46 57.630 58.598 -0.968 1
1 612 . 9 1 1 A 46 46 LEU CB C 46 42.020 41.021 0.999 1
1 616 . 9 1 1 A 47 47 LYS H H 47 8.325 8.835 -0.510 1
1 617 . 9 1 1 A 47 47 LYS HA H 47 4.139 4.167 -0.028 1
1 626 . 9 1 1 A 47 47 LYS C C 47 176.700 177.113 -0.413 1
1 627 . 9 1 1 A 47 47 LYS CA C 47 57.800 58.392 -0.592 1
1 628 . 9 1 1 A 47 47 LYS CB C 47 32.440 31.497 0.943 1
1 632 . 9 1 1 A 47 47 LYS N N 47 116.870 116.842 0.028 1
1 633 . 9 1 1 A 48 48 MET H H 48 7.649 7.950 -0.301 1
1 634 . 9 1 1 A 48 48 MET HA H 48 4.581 4.820 -0.239 1
1 642 . 9 1 1 A 48 48 MET C C 48 175.550 176.233 -0.683 1
1 643 . 9 1 1 A 48 48 MET CA C 48 54.970 55.090 -0.120 1
1 644 . 9 1 1 A 48 48 MET CB C 48 32.770 34.080 -1.310 1
1 647 . 9 1 1 A 48 48 MET N N 48 116.090 118.282 -2.192 1
1 648 . 9 1 1 A 49 49 ARG H H 49 7.653 8.063 -0.410 1
1 649 . 9 1 1 A 49 49 ARG HA H 49 4.377 4.522 -0.145 1
1 656 . 9 1 1 A 49 49 ARG C C 49 177.450 178.388 -0.938 1
1 657 . 9 1 1 A 49 49 ARG CA C 49 57.250 56.312 0.938 1
1 658 . 9 1 1 A 49 49 ARG CB C 49 30.400 32.072 -1.672 1
1 661 . 9 1 1 A 49 49 ARG N N 49 119.580 118.607 0.973 1
1 662 . 9 1 1 A 50 50 GLY H H 50 9.177 8.233 0.944 1
1 663 . 9 1 1 A 50 50 GLY HA2 H 50 3.960 3.958 0.002 1
1 664 . 9 1 1 A 50 50 GLY HA3 H 50 4.107 3.961 0.146 1
1 665 . 9 1 1 A 50 50 GLY C C 50 172.960 173.761 -0.801 1
1 666 . 9 1 1 A 50 50 GLY CA C 50 46.140 45.497 0.643 1
1 667 . 9 1 1 A 50 50 GLY N N 50 111.640 107.506 4.134 1
1 668 . 9 1 1 A 51 51 GLN H H 51 7.853 7.607 0.246 1
1 669 . 9 1 1 A 51 51 GLN HA H 51 5.516 4.802 0.714 1
1 675 . 9 1 1 A 51 51 GLN C C 51 174.800 174.014 0.786 1
1 676 . 9 1 1 A 51 51 GLN CA C 51 54.160 53.962 0.198 1
1 677 . 9 1 1 A 51 51 GLN CB C 51 34.330 33.586 0.744 1
1 679 . 9 1 1 A 51 51 GLN N N 51 117.000 118.493 -1.493 1
1 681 . 9 1 1 A 52 52 ALA H H 52 8.765 8.214 0.551 1
1 682 . 9 1 1 A 52 52 ALA HA H 52 5.098 4.936 0.162 1
1 686 . 9 1 1 A 52 52 ALA C C 52 174.820 175.125 -0.305 1
1 687 . 9 1 1 A 52 52 ALA CA C 52 51.170 51.328 -0.158 1
1 688 . 9 1 1 A 52 52 ALA CB C 52 23.350 23.647 -0.297 1
1 689 . 9 1 1 A 52 52 ALA N N 52 121.050 121.405 -0.355 1
1 690 . 9 1 1 A 53 53 PHE H H 53 8.840 8.785 0.055 1
1 691 . 9 1 1 A 53 53 PHE HA H 53 5.615 5.547 0.068 1
1 696 . 9 1 1 A 53 53 PHE C C 53 174.870 174.561 0.309 1
1 697 . 9 1 1 A 53 53 PHE CA C 53 55.770 56.498 -0.728 1
1 698 . 9 1 1 A 53 53 PHE CB C 53 41.530 43.591 -2.061 1
1 701 . 9 1 1 A 53 53 PHE N N 53 115.860 115.761 0.099 1
1 702 . 9 1 1 A 54 54 VAL H H 54 8.766 8.658 0.108 1
1 703 . 9 1 1 A 54 54 VAL HA H 54 4.169 4.675 -0.506 1
1 711 . 9 1 1 A 54 54 VAL C C 54 173.330 173.223 0.107 1
1 712 . 9 1 1 A 54 54 VAL CA C 54 61.920 60.143 1.777 1
1 713 . 9 1 1 A 54 54 VAL CB C 54 32.860 35.396 -2.536 1
1 716 . 9 1 1 A 54 54 VAL N N 54 121.920 118.861 3.059 1
1 717 . 9 1 1 A 55 55 ILE H H 55 8.319 9.057 -0.738 1
1 718 . 9 1 1 A 55 55 ILE HA H 55 4.512 5.398 -0.886 1
1 728 . 9 1 1 A 55 55 ILE C C 55 173.920 174.748 -0.828 1
1 729 . 9 1 1 A 55 55 ILE CA C 55 60.880 59.906 0.974 1
1 730 . 9 1 1 A 55 55 ILE CB C 55 39.130 40.576 -1.446 1
1 734 . 9 1 1 A 55 55 ILE N N 55 126.350 126.957 -0.607 1
1 735 . 9 1 1 A 56 56 PHE H H 56 9.009 9.075 -0.066 1
1 736 . 9 1 1 A 56 56 PHE HA H 56 4.889 4.953 -0.064 1
1 741 . 9 1 1 A 56 56 PHE C C 56 175.180 176.528 -1.348 1
1 742 . 9 1 1 A 56 56 PHE CA C 56 59.030 56.881 2.149 1
1 743 . 9 1 1 A 56 56 PHE CB C 56 40.320 43.274 -2.954 1
1 744 . 9 1 1 A 56 56 PHE N N 56 126.440 125.048 1.392 1
1 745 . 9 1 1 A 57 57 LYS H H 57 8.191 9.035 -0.844 1
1 746 . 9 1 1 A 57 57 LYS HA H 57 3.969 4.197 -0.228 1
1 755 . 9 1 1 A 57 57 LYS C C 57 176.140 176.332 -0.192 1
1 756 . 9 1 1 A 57 57 LYS CA C 57 59.290 58.986 0.304 1
1 757 . 9 1 1 A 57 57 LYS CB C 57 33.850 32.202 1.648 1
1 761 . 9 1 1 A 57 57 LYS N N 57 119.130 121.204 -2.074 1
1 762 . 9 1 1 A 58 58 GLU H H 58 8.614 8.054 0.560 1
1 763 . 9 1 1 A 58 58 GLU HA H 58 4.850 4.829 0.021 1
1 768 . 9 1 1 A 58 58 GLU C C 58 177.130 176.594 0.536 1
1 769 . 9 1 1 A 58 58 GLU CA C 58 54.130 54.955 -0.825 1
1 770 . 9 1 1 A 58 58 GLU CB C 58 32.230 33.829 -1.599 1
1 772 . 9 1 1 A 58 58 GLU N N 58 114.350 118.482 -4.132 1
1 773 . 9 1 1 A 59 59 ILE H H 59 8.825 8.677 0.148 1
1 774 . 9 1 1 A 59 59 ILE HA H 59 3.499 3.831 -0.332 1
1 784 . 9 1 1 A 59 59 ILE C C 59 177.650 178.184 -0.534 1
1 785 . 9 1 1 A 59 59 ILE CA C 59 65.660 64.311 1.349 1
1 786 . 9 1 1 A 59 59 ILE CB C 59 38.040 37.716 0.324 1
1 790 . 9 1 1 A 59 59 ILE N N 59 122.940 123.324 -0.384 1
1 791 . 9 1 1 A 60 60 GLY H H 60 8.875 8.522 0.353 1
1 792 . 9 1 1 A 60 60 GLY HA2 H 60 3.780 3.805 -0.025 1
1 793 . 9 1 1 A 60 60 GLY HA3 H 60 3.925 3.814 0.111 1
1 794 . 9 1 1 A 60 60 GLY C C 60 176.700 176.469 0.231 1
1 795 . 9 1 1 A 60 60 GLY CA C 60 47.070 47.527 -0.457 1
1 796 . 9 1 1 A 60 60 GLY N N 60 106.980 110.567 -3.587 1
1 797 . 9 1 1 A 61 61 SER H H 61 6.973 7.954 -0.981 1
1 798 . 9 1 1 A 61 61 SER HA H 61 4.141 4.286 -0.145 1
1 801 . 9 1 1 A 61 61 SER C C 61 174.060 176.343 -2.283 1
1 802 . 9 1 1 A 61 61 SER CA C 61 61.870 62.616 -0.746 1
1 803 . 9 1 1 A 61 61 SER CB C 61 63.150 62.908 0.242 1
1 804 . 9 1 1 A 61 61 SER N N 61 116.200 119.327 -3.127 1
1 805 . 9 1 1 A 62 62 ALA H H 62 6.786 8.422 -1.636 1
1 806 . 9 1 1 A 62 62 ALA HA H 62 3.370 3.301 0.069 1
1 810 . 9 1 1 A 62 62 ALA C C 62 178.960 179.299 -0.339 1
1 811 . 9 1 1 A 62 62 ALA CA C 62 55.370 54.990 0.380 1
1 812 . 9 1 1 A 62 62 ALA CB C 62 19.030 18.732 0.298 1
1 813 . 9 1 1 A 62 62 ALA N N 62 123.660 123.875 -0.215 1
1 814 . 9 1 1 A 63 63 SER H H 63 8.379 8.094 0.285 1
1 815 . 9 1 1 A 63 63 SER HA H 63 4.551 4.129 0.422 1
1 818 . 9 1 1 A 63 63 SER C C 63 177.040 176.075 0.965 1
1 819 . 9 1 1 A 63 63 SER CA C 63 61.000 61.567 -0.567 1
1 820 . 9 1 1 A 63 63 SER CB C 63 63.090 62.700 0.390 1
1 821 . 9 1 1 A 63 63 SER N N 63 111.560 112.879 -1.319 1
1 822 . 9 1 1 A 64 64 ASN H H 64 7.737 8.311 -0.574 1
1 823 . 9 1 1 A 64 64 ASN HA H 64 4.434 4.337 0.097 1
1 828 . 9 1 1 A 64 64 ASN C C 64 177.490 177.282 0.208 1
1 829 . 9 1 1 A 64 64 ASN CA C 64 55.410 56.321 -0.911 1
1 830 . 9 1 1 A 64 64 ASN CB C 64 37.930 38.743 -0.813 1
1 831 . 9 1 1 A 64 64 ASN N N 64 120.200 120.349 -0.149 1
1 833 . 9 1 1 A 65 65 ALA H H 65 8.085 7.806 0.279 1
1 834 . 9 1 1 A 65 65 ALA HA H 65 4.864 3.916 0.948 1
1 838 . 9 1 1 A 65 65 ALA C C 65 178.180 179.397 -1.217 1
1 839 . 9 1 1 A 65 65 ALA CA C 65 54.700 54.925 -0.225 1
1 840 . 9 1 1 A 65 65 ALA CB C 65 19.950 17.903 2.047 1
1 841 . 9 1 1 A 65 65 ALA N N 65 125.150 121.608 3.542 1
1 842 . 9 1 1 A 66 66 LEU H H 66 8.083 8.065 0.018 1
1 843 . 9 1 1 A 66 66 LEU HA H 66 3.560 4.057 -0.497 1
1 853 . 9 1 1 A 66 66 LEU C C 66 177.650 178.344 -0.694 1
1 854 . 9 1 1 A 66 66 LEU CA C 66 59.540 58.296 1.244 1
1 855 . 9 1 1 A 66 66 LEU CB C 66 42.020 41.571 0.449 1
1 859 . 9 1 1 A 66 66 LEU N N 66 118.670 119.506 -0.836 1
1 860 . 9 1 1 A 67 67 ARG H H 67 7.620 8.296 -0.676 1
1 861 . 9 1 1 A 67 67 ARG HA H 67 3.939 3.987 -0.048 1
1 868 . 9 1 1 A 67 67 ARG C C 67 178.960 178.841 0.119 1
1 869 . 9 1 1 A 67 67 ARG CA C 67 58.860 59.170 -0.310 1
1 870 . 9 1 1 A 67 67 ARG CB C 67 30.570 29.846 0.724 1
1 873 . 9 1 1 A 67 67 ARG N N 67 114.570 119.103 -4.533 1
1 874 . 9 1 1 A 68 68 THR H H 68 7.850 8.078 -0.228 1
1 875 . 9 1 1 A 68 68 THR HA H 68 4.040 3.707 0.333 1
1 880 . 9 1 1 A 68 68 THR C C 68 175.960 175.419 0.541 1
1 881 . 9 1 1 A 68 68 THR CA C 68 66.160 66.298 -0.138 1
1 882 . 9 1 1 A 68 68 THR CB C 68 69.260 67.670 1.590 1
1 884 . 9 1 1 A 68 68 THR N N 68 112.630 117.156 -4.526 1
1 885 . 9 1 1 A 69 69 MET H H 69 7.934 7.637 0.297 1
1 886 . 9 1 1 A 69 69 MET HA H 69 4.734 4.180 0.554 1
1 894 . 9 1 1 A 69 69 MET C C 69 175.820 175.789 0.031 1
1 895 . 9 1 1 A 69 69 MET CA C 69 53.560 54.636 -1.076 1
1 896 . 9 1 1 A 69 69 MET CB C 69 29.730 31.224 -1.494 1
1 899 . 9 1 1 A 69 69 MET N N 69 115.080 115.909 -0.829 1
1 900 . 9 1 1 A 70 70 GLN H H 70 7.003 7.362 -0.359 1
1 901 . 9 1 1 A 70 70 GLN HA H 70 4.043 3.914 0.129 1
1 908 . 9 1 1 A 70 70 GLN C C 70 178.020 177.291 0.729 1
1 909 . 9 1 1 A 70 70 GLN CA C 70 57.710 58.005 -0.295 1
1 910 . 9 1 1 A 70 70 GLN CB C 70 30.080 28.260 1.820 1
1 912 . 9 1 1 A 70 70 GLN N N 70 120.730 120.458 0.272 1
1 914 . 9 1 1 A 71 71 GLY H H 71 8.693 8.671 0.022 1
1 915 . 9 1 1 A 71 71 GLY HA2 H 71 4.230 3.894 0.336 1
1 916 . 9 1 1 A 71 71 GLY HA3 H 71 3.817 3.898 -0.081 1
1 917 . 9 1 1 A 71 71 GLY C C 71 173.290 174.193 -0.903 1
1 918 . 9 1 1 A 71 71 GLY CA C 71 45.960 45.740 0.220 1
1 919 . 9 1 1 A 71 71 GLY N N 71 118.750 114.570 4.180 1
1 920 . 9 1 1 A 72 72 PHE H H 72 8.426 8.086 0.340 1
1 921 . 9 1 1 A 72 72 PHE HA H 72 4.641 4.510 0.131 1
1 926 . 9 1 1 A 72 72 PHE CA C 72 56.830 57.018 -0.188 1
1 927 . 9 1 1 A 72 72 PHE CB C 72 40.650 39.868 0.782 1
1 928 . 9 1 1 A 72 72 PHE N N 72 124.640 121.996 2.644 1
1 929 . 9 1 1 A 73 73 PRO HA H 73 4.052 4.815 -0.763 1
1 934 . 9 1 1 A 73 73 PRO C C 73 174.500 176.345 -1.845 1
1 935 . 9 1 1 A 73 73 PRO CA C 73 62.460 62.107 0.353 1
1 936 . 9 1 1 A 73 73 PRO CB C 73 30.700 28.860 1.840 1
1 939 . 9 1 1 A 74 74 PHE H H 74 8.382 8.535 -0.153 1
1 940 . 9 1 1 A 74 74 PHE HA H 74 4.235 4.403 -0.168 1
1 945 . 9 1 1 A 74 74 PHE C C 74 175.590 174.432 1.158 1
1 946 . 9 1 1 A 74 74 PHE CA C 74 56.440 61.256 -4.816 1
1 947 . 9 1 1 A 74 74 PHE CB C 74 42.540 39.836 2.704 1
1 950 . 9 1 1 A 74 74 PHE N N 74 128.220 123.297 4.923 1
1 951 . 9 1 1 A 75 75 TYR H H 75 9.185 8.047 1.138 1
1 952 . 9 1 1 A 75 75 TYR HA H 75 3.764 4.901 -1.137 1
1 957 . 9 1 1 A 75 75 TYR C C 75 175.210 175.828 -0.618 1
1 958 . 9 1 1 A 75 75 TYR CA C 75 60.780 57.120 3.660 1
1 959 . 9 1 1 A 75 75 TYR CB C 75 36.110 42.154 -6.044 1
1 962 . 9 1 1 A 75 75 TYR N N 75 128.090 116.357 11.733 1
1 963 . 9 1 1 A 76 76 ASP H H 76 8.306 9.034 -0.728 1
1 964 . 9 1 1 A 76 76 ASP HA H 76 4.075 4.704 -0.629 1
1 967 . 9 1 1 A 76 76 ASP C C 76 175.390 175.511 -0.121 1
1 968 . 9 1 1 A 76 76 ASP CA C 76 56.360 54.841 1.519 1
1 969 . 9 1 1 A 76 76 ASP CB C 76 40.510 40.782 -0.272 1
1 970 . 9 1 1 A 76 76 ASP N N 76 107.370 121.851 -14.481 1
1 971 . 9 1 1 A 77 77 LYS H H 77 7.687 7.542 0.145 1
1 972 . 9 1 1 A 77 77 LYS HA H 77 5.020 4.751 0.269 1
1 981 . 9 1 1 A 77 77 LYS CA C 77 53.450 52.933 0.517 1
1 982 . 9 1 1 A 77 77 LYS CB C 77 34.800 34.763 0.037 1
1 986 . 9 1 1 A 77 77 LYS N N 77 118.880 118.980 -0.100 1
1 987 . 9 1 1 A 78 78 PRO HA H 78 4.240 4.739 -0.499 1
1 994 . 9 1 1 A 78 78 PRO C C 78 177.470 177.137 0.333 1
1 995 . 9 1 1 A 78 78 PRO CA C 78 62.310 62.806 -0.496 1
1 996 . 9 1 1 A 78 78 PRO CB C 78 31.690 31.694 -0.004 1
1 999 . 9 1 1 A 79 79 MET H H 79 8.696 8.543 0.153 1
1 1000 . 9 1 1 A 79 79 MET HA H 79 4.289 4.654 -0.365 1
1 1008 . 9 1 1 A 79 79 MET C C 79 175.960 176.209 -0.249 1
1 1009 . 9 1 1 A 79 79 MET CA C 79 58.600 56.488 2.112 1
1 1010 . 9 1 1 A 79 79 MET CB C 79 35.200 33.630 1.570 1
1 1013 . 9 1 1 A 79 79 MET N N 79 126.540 122.780 3.760 1
1 1014 . 9 1 1 A 80 80 GLN H H 80 7.779 8.781 -1.002 1
1 1015 . 9 1 1 A 80 80 GLN HA H 80 4.855 5.083 -0.228 1
1 1022 . 9 1 1 A 80 80 GLN C C 80 174.820 174.854 -0.034 1
1 1023 . 9 1 1 A 80 80 GLN CA C 80 54.550 54.410 0.140 1
1 1024 . 9 1 1 A 80 80 GLN CB C 80 29.320 31.773 -2.453 1
1 1026 . 9 1 1 A 80 80 GLN N N 80 122.810 120.295 2.515 1
1 1028 . 9 1 1 A 81 81 ILE H H 81 9.682 8.853 0.829 1
1 1029 . 9 1 1 A 81 81 ILE HA H 81 5.010 4.910 0.100 1
1 1039 . 9 1 1 A 81 81 ILE C C 81 174.710 174.450 0.260 1
1 1040 . 9 1 1 A 81 81 ILE CA C 81 60.900 59.966 0.934 1
1 1041 . 9 1 1 A 81 81 ILE CB C 81 40.120 42.257 -2.137 1
1 1045 . 9 1 1 A 81 81 ILE N N 81 126.070 122.492 3.578 1
1 1046 . 9 1 1 A 82 82 ALA H H 82 9.039 8.429 0.610 1
1 1047 . 9 1 1 A 82 82 ALA HA H 82 4.620 5.097 -0.477 1
1 1051 . 9 1 1 A 82 82 ALA C C 82 176.700 175.959 0.741 1
1 1052 . 9 1 1 A 82 82 ALA CA C 82 50.890 50.912 -0.022 1
1 1053 . 9 1 1 A 82 82 ALA CB C 82 23.420 23.491 -0.071 1
1 1054 . 9 1 1 A 82 82 ALA N N 82 130.310 125.140 5.170 1
1 1055 . 9 1 1 A 83 83 TYR H H 83 8.411 8.776 -0.365 1
1 1056 . 9 1 1 A 83 83 TYR HA H 83 4.905 4.951 -0.046 1
1 1061 . 9 1 1 A 83 83 TYR C C 83 176.900 174.840 2.060 1
1 1062 . 9 1 1 A 83 83 TYR CA C 83 59.280 57.076 2.204 1
1 1063 . 9 1 1 A 83 83 TYR CB C 83 39.350 40.103 -0.753 1
1 1065 . 9 1 1 A 83 83 TYR N N 83 118.580 119.428 -0.848 1
1 1066 . 9 1 1 A 84 84 SER H H 84 8.452 8.529 -0.077 1
1 1067 . 9 1 1 A 84 84 SER HA H 84 4.248 5.147 -0.899 1
1 1070 . 9 1 1 A 84 84 SER C C 84 174.220 172.882 1.338 1
1 1071 . 9 1 1 A 84 84 SER CA C 84 58.560 57.309 1.251 1
1 1072 . 9 1 1 A 84 84 SER CB C 84 64.100 67.319 -3.219 1
1 1073 . 9 1 1 A 84 84 SER N N 84 115.040 115.744 -0.704 1
1 1074 . 9 1 1 A 85 85 LYS H H 85 8.443 8.565 -0.122 1
1 1075 . 9 1 1 A 85 85 LYS HA H 85 4.275 4.982 -0.707 1
1 1080 . 9 1 1 A 85 85 LYS C C 85 177.080 176.763 0.317 1
1 1081 . 9 1 1 A 85 85 LYS CA C 85 56.960 54.432 2.528 1
1 1082 . 9 1 1 A 85 85 LYS CB C 85 33.150 35.735 -2.585 1
1 1086 . 9 1 1 A 85 85 LYS N N 85 123.610 120.498 3.112 1
1 1087 . 9 1 1 A 86 86 SER H H 86 8.204 8.448 -0.244 1
1 1088 . 9 1 1 A 86 86 SER HA H 86 4.335 4.439 -0.104 1
1 1090 . 9 1 1 A 86 86 SER C C 86 174.080 174.104 -0.024 1
1 1091 . 9 1 1 A 86 86 SER CA C 86 58.400 59.233 -0.833 1
1 1092 . 9 1 1 A 86 86 SER CB C 86 63.750 63.682 0.068 1
1 1093 . 9 1 1 A 86 86 SER N N 86 115.780 117.369 -1.589 1
1 1094 . 9 1 1 A 87 87 ASP H H 87 8.435 8.781 -0.346 1
1 1095 . 9 1 1 A 87 87 ASP HA H 87 4.578 4.238 0.340 1
1 1098 . 9 1 1 A 87 87 ASP C C 87 176.630 176.743 -0.113 1
1 1099 . 9 1 1 A 87 87 ASP CA C 87 54.260 54.943 -0.683 1
1 1100 . 9 1 1 A 87 87 ASP CB C 87 40.780 41.285 -0.505 1
1 1101 . 9 1 1 A 87 87 ASP N N 87 121.910 125.782 -3.872 1
1 1102 . 9 1 1 A 88 88 SER H H 88 8.061 8.748 -0.687 1
1 1103 . 9 1 1 A 88 88 SER HA H 88 4.328 4.055 0.273 1
1 1106 . 9 1 1 A 88 88 SER C C 88 174.840 174.193 0.647 1
1 1107 . 9 1 1 A 88 88 SER CA C 88 58.800 61.168 -2.368 1
1 1108 . 9 1 1 A 88 88 SER CB C 88 63.870 60.883 2.987 1
1 1109 . 9 1 1 A 88 88 SER N N 88 116.440 115.449 0.991 1
1 1110 . 9 1 1 A 89 89 ASP H H 89 8.556 8.434 0.122 1
1 1111 . 9 1 1 A 89 89 ASP HA H 89 4.460 4.484 -0.024 1
1 1114 . 9 1 1 A 89 89 ASP C C 89 177.450 178.322 -0.872 1
1 1115 . 9 1 1 A 89 89 ASP CA C 89 56.110 57.671 -1.561 1
1 1116 . 9 1 1 A 89 89 ASP CB C 89 40.500 41.280 -0.780 1
1 1117 . 9 1 1 A 89 89 ASP N N 89 123.080 121.142 1.938 1
1 1118 . 9 1 1 A 90 90 ILE H H 90 7.756 7.810 -0.054 1
1 1119 . 9 1 1 A 90 90 ILE HA H 90 3.829 3.708 0.121 1
1 1129 . 9 1 1 A 90 90 ILE C C 90 177.060 177.946 -0.886 1
1 1130 . 9 1 1 A 90 90 ILE CA C 90 63.070 64.417 -1.347 1
1 1131 . 9 1 1 A 90 90 ILE CB C 90 38.290 37.342 0.948 1
1 1135 . 9 1 1 A 90 90 ILE N N 90 119.250 118.001 1.249 1
1 1136 . 9 1 1 A 91 91 VAL H H 91 7.459 8.350 -0.891 1
1 1137 . 9 1 1 A 91 91 VAL HA H 91 3.613 3.472 0.141 1
1 1145 . 9 1 1 A 91 91 VAL C C 91 177.080 177.791 -0.711 1
1 1146 . 9 1 1 A 91 91 VAL CA C 91 65.250 66.590 -1.340 1
1 1147 . 9 1 1 A 91 91 VAL CB C 91 31.970 31.534 0.436 1
1 1150 . 9 1 1 A 91 91 VAL N N 91 121.040 122.032 -0.992 1
1 1151 . 9 1 1 A 92 92 ALA H H 92 8.076 8.308 -0.232 1
1 1152 . 9 1 1 A 92 92 ALA HA H 92 4.098 4.002 0.096 1
1 1156 . 9 1 1 A 92 92 ALA C C 92 179.510 179.066 0.444 1
1 1157 . 9 1 1 A 92 92 ALA CA C 92 54.180 55.386 -1.206 1
1 1158 . 9 1 1 A 92 92 ALA CB C 92 18.660 18.328 0.332 1
1 1159 . 9 1 1 A 92 92 ALA N N 92 122.880 121.798 1.082 1
1 1160 . 9 1 1 A 93 93 LYS H H 93 7.946 7.952 -0.006 1
1 1161 . 9 1 1 A 93 93 LYS HA H 93 4.136 3.885 0.251 1
1 1170 . 9 1 1 A 93 93 LYS C C 93 178.300 179.307 -1.007 1
1 1171 . 9 1 1 A 93 93 LYS CA C 93 58.000 60.070 -2.070 1
1 1172 . 9 1 1 A 93 93 LYS CB C 93 32.550 32.035 0.515 1
1 1176 . 9 1 1 A 93 93 LYS N N 93 118.800 118.169 0.631 1
1 1177 . 9 1 1 A 94 94 ILE H H 94 7.894 7.728 0.166 1
1 1178 . 9 1 1 A 94 94 ILE HA H 94 3.906 3.855 0.051 1
1 1188 . 9 1 1 A 94 94 ILE C C 94 177.720 177.985 -0.265 1
1 1189 . 9 1 1 A 94 94 ILE CA C 94 63.200 62.830 0.370 1
1 1190 . 9 1 1 A 94 94 ILE CB C 94 38.330 37.010 1.320 1
1 1194 . 9 1 1 A 94 94 ILE N N 94 120.760 117.999 2.761 1
1 1195 . 9 1 1 A 95 95 LYS H H 95 8.310 8.073 0.237 1
1 1196 . 9 1 1 A 95 95 LYS HA H 95 4.083 4.197 -0.114 1
1 1205 . 9 1 1 A 95 95 LYS C C 95 177.660 176.734 0.926 1
1 1206 . 9 1 1 A 95 95 LYS CA C 95 57.930 57.932 -0.002 1
1 1207 . 9 1 1 A 95 95 LYS CB C 95 32.860 33.313 -0.453 1
1 1211 . 9 1 1 A 95 95 LYS N N 95 121.330 121.865 -0.535 1
1 1212 . 9 1 1 A 96 96 GLY H H 96 8.122 7.926 0.196 1
1 1213 . 9 1 1 A 96 96 GLY HA2 H 96 3.999 3.995 0.004 1
1 1214 . 9 1 1 A 96 96 GLY HA3 H 96 3.999 4.015 -0.016 1
1 1215 . 9 1 1 A 96 96 GLY C C 96 174.640 175.150 -0.510 1
1 1216 . 9 1 1 A 96 96 GLY CA C 96 45.660 46.451 -0.791 1
1 1217 . 9 1 1 A 96 96 GLY N N 96 107.870 107.507 0.363 1
1 1218 . 9 1 1 A 97 97 THR H H 97 7.968 7.857 0.111 1
1 1219 . 9 1 1 A 97 97 THR HA H 97 4.294 4.845 -0.551 1
1 1224 . 9 1 1 A 97 97 THR C C 97 174.590 175.434 -0.844 1
1 1225 . 9 1 1 A 97 97 THR CA C 97 62.160 61.117 1.043 1
1 1226 . 9 1 1 A 97 97 THR CB C 97 69.630 70.302 -0.672 1
1 1228 . 9 1 1 A 97 97 THR N N 97 112.820 110.459 2.361 1
1 1229 . 9 1 1 A 98 98 PHE H H 98 7.938 7.639 0.299 1
1 1230 . 9 1 1 A 98 98 PHE HA H 98 4.552 4.156 0.396 1
1 1235 . 9 1 1 A 98 98 PHE C C 98 175.370 175.555 -0.185 1
1 1236 . 9 1 1 A 98 98 PHE CA C 98 58.150 61.270 -3.120 1
1 1237 . 9 1 1 A 98 98 PHE CB C 98 39.550 39.719 -0.169 1
1 1239 . 9 1 1 A 98 98 PHE N N 98 122.400 122.859 -0.459 1
1 1240 . 9 1 1 A 99 99 LYS H H 99 7.986 7.805 0.181 1
1 1241 . 9 1 1 A 99 99 LYS HA H 99 4.242 4.446 -0.204 1
1 1250 . 9 1 1 A 99 99 LYS C C 99 175.750 174.253 1.497 1
1 1251 . 9 1 1 A 99 99 LYS CA C 99 56.030 55.386 0.644 1
1 1252 . 9 1 1 A 99 99 LYS CB C 99 33.390 32.579 0.811 1
1 1256 . 9 1 1 A 99 99 LYS N N 99 123.810 118.265 5.545 1
1 1257 . 9 1 1 A 100 100 GLU H H 100 8.247 8.264 -0.017 1
1 1258 . 9 1 1 A 100 100 GLU HA H 100 4.202 4.874 -0.672 1
1 1263 . 9 1 1 A 100 100 GLU C C 100 176.210 175.830 0.380 1
1 1264 . 9 1 1 A 100 100 GLU CA C 100 56.270 54.541 1.729 1
1 1265 . 9 1 1 A 100 100 GLU CB C 100 30.550 34.464 -3.914 1
1 1267 . 9 1 1 A 100 100 GLU N N 100 122.270 124.655 -2.385 1
1 1268 . 9 1 1 A 101 101 ARG H H 101 8.415 8.485 -0.070 1
1 1269 . 9 1 1 A 101 101 ARG HA H 101 4.590 4.381 0.209 1
1 1276 . 9 1 1 A 101 101 ARG CA C 101 53.980 54.658 -0.678 1
1 1277 . 9 1 1 A 101 101 ARG CB C 101 30.070 29.695 0.375 1
1 1280 . 9 1 1 A 101 101 ARG N N 101 123.970 121.337 2.633 1
1 1281 . 9 1 1 A 102 102 PRO HA H 102 4.421 4.453 -0.032 1
1 1288 . 9 1 1 A 102 102 PRO C C 102 176.700 175.852 0.848 1
1 1289 . 9 1 1 A 102 102 PRO CA C 102 63.090 63.887 -0.797 1
1 1290 . 9 1 1 A 102 102 PRO CB C 102 32.160 31.834 0.326 1
1 1293 . 9 1 1 A 103 103 LYS H H 103 8.445 7.576 0.869 1
1 1294 . 9 1 1 A 103 103 LYS HA H 103 4.294 4.960 -0.666 1
1 1303 . 9 1 1 A 103 103 LYS C C 103 175.690 174.515 1.175 1
1 1304 . 9 1 1 A 103 103 LYS CA C 103 56.380 54.543 1.837 1
1 1305 . 9 1 1 A 103 103 LYS CB C 103 33.150 36.291 -3.141 1
1 1309 . 9 1 1 A 103 103 LYS N N 103 122.480 119.536 2.944 1
1 1 . 10 1 1 A 2 2 GLU HA H 2 4.372 4.927 -0.555 1
1 6 . 10 1 1 A 2 2 GLU C C 2 175.830 174.674 1.156 1
1 7 . 10 1 1 A 2 2 GLU CA C 2 56.340 55.509 0.831 1
1 8 . 10 1 1 A 2 2 GLU CB C 2 30.550 33.779 -3.229 1
1 10 . 10 1 1 A 3 3 MET H H 3 8.529 8.795 -0.266 1
1 11 . 10 1 1 A 3 3 MET HA H 3 4.534 5.190 -0.656 1
1 19 . 10 1 1 A 3 3 MET C C 3 175.350 174.998 0.352 1
1 20 . 10 1 1 A 3 3 MET CA C 3 54.950 54.582 0.368 1
1 21 . 10 1 1 A 3 3 MET CB C 3 33.150 36.967 -3.817 1
1 24 . 10 1 1 A 3 3 MET N N 3 122.340 123.822 -1.482 1
1 25 . 10 1 1 A 4 4 LEU H H 4 8.265 8.102 0.163 1
1 26 . 10 1 1 A 4 4 LEU HA H 4 4.579 4.407 0.172 1
1 36 . 10 1 1 A 4 4 LEU CA C 4 52.620 52.715 -0.095 1
1 37 . 10 1 1 A 4 4 LEU CB C 4 41.780 40.658 1.122 1
1 41 . 10 1 1 A 4 4 LEU N N 4 125.280 123.275 2.005 1
1 42 . 10 1 1 A 5 5 PRO HA H 5 4.268 4.649 -0.381 1
1 49 . 10 1 1 A 5 5 PRO C C 5 175.390 175.158 0.232 1
1 50 . 10 1 1 A 5 5 PRO CA C 5 62.620 63.013 -0.393 1
1 51 . 10 1 1 A 5 5 PRO CB C 5 32.300 32.246 0.054 1
1 54 . 10 1 1 A 6 6 ASN H H 6 6.913 8.960 -2.047 1
1 55 . 10 1 1 A 6 6 ASN HA H 6 4.460 5.167 -0.707 1
1 60 . 10 1 1 A 6 6 ASN C C 6 172.390 175.176 -2.786 1
1 61 . 10 1 1 A 6 6 ASN CA C 6 52.920 52.471 0.449 1
1 62 . 10 1 1 A 6 6 ASN CB C 6 41.920 42.017 -0.097 1
1 63 . 10 1 1 A 6 6 ASN N N 6 117.610 120.555 -2.945 1
1 65 . 10 1 1 A 7 7 GLN H H 7 8.465 8.859 -0.394 1
1 66 . 10 1 1 A 7 7 GLN HA H 7 4.164 4.196 -0.032 1
1 73 . 10 1 1 A 7 7 GLN C C 7 175.020 175.629 -0.609 1
1 74 . 10 1 1 A 7 7 GLN CA C 7 58.100 57.804 0.296 1
1 75 . 10 1 1 A 7 7 GLN CB C 7 29.270 29.313 -0.043 1
1 77 . 10 1 1 A 7 7 GLN N N 7 116.430 122.235 -5.805 1
1 79 . 10 1 1 A 8 8 THR H H 8 8.374 7.710 0.664 1
1 80 . 10 1 1 A 8 8 THR HA H 8 5.399 5.475 -0.076 1
1 85 . 10 1 1 A 8 8 THR C C 8 173.700 174.257 -0.557 1
1 86 . 10 1 1 A 8 8 THR CA C 8 62.380 61.316 1.064 1
1 87 . 10 1 1 A 8 8 THR CB C 8 69.100 72.579 -3.479 1
1 89 . 10 1 1 A 8 8 THR N N 8 118.220 111.227 6.993 1
1 90 . 10 1 1 A 9 9 ILE H H 9 8.794 9.340 -0.546 1
1 91 . 10 1 1 A 9 9 ILE HA H 9 5.085 5.364 -0.279 1
1 101 . 10 1 1 A 9 9 ILE C C 9 173.490 173.766 -0.276 1
1 102 . 10 1 1 A 9 9 ILE CA C 9 59.000 59.367 -0.367 1
1 103 . 10 1 1 A 9 9 ILE CB C 9 39.710 42.250 -2.540 1
1 107 . 10 1 1 A 9 9 ILE N N 9 118.250 121.502 -3.252 1
1 108 . 10 1 1 A 10 10 TYR H H 10 9.384 9.251 0.133 1
1 109 . 10 1 1 A 10 10 TYR HA H 10 5.032 5.232 -0.200 1
1 116 . 10 1 1 A 10 10 TYR C C 10 173.920 173.581 0.339 1
1 117 . 10 1 1 A 10 10 TYR CA C 10 55.240 56.028 -0.788 1
1 118 . 10 1 1 A 10 10 TYR CB C 10 40.700 41.875 -1.175 1
1 123 . 10 1 1 A 10 10 TYR N N 10 124.310 124.957 -0.647 1
1 124 . 10 1 1 A 11 11 ILE H H 11 9.000 9.050 -0.050 1
1 125 . 10 1 1 A 11 11 ILE HA H 11 4.629 4.983 -0.354 1
1 135 . 10 1 1 A 11 11 ILE C C 11 180.280 174.306 5.974 1
1 136 . 10 1 1 A 11 11 ILE CA C 11 60.050 59.001 1.049 1
1 137 . 10 1 1 A 11 11 ILE CB C 11 40.350 40.760 -0.410 1
1 141 . 10 1 1 A 11 11 ILE N N 11 126.640 126.615 0.025 1
1 142 . 10 1 1 A 12 12 ASN H H 12 8.844 8.970 -0.126 1
1 143 . 10 1 1 A 12 12 ASN HA H 12 5.267 4.859 0.408 1
1 148 . 10 1 1 A 12 12 ASN C C 12 174.640 174.543 0.097 1
1 149 . 10 1 1 A 12 12 ASN CA C 12 50.860 51.075 -0.215 1
1 150 . 10 1 1 A 12 12 ASN CB C 12 41.400 42.552 -1.152 1
1 151 . 10 1 1 A 12 12 ASN N N 12 123.520 123.115 0.405 1
1 153 . 10 1 1 A 13 13 ASN H H 13 8.689 8.924 -0.235 1
1 154 . 10 1 1 A 13 13 ASN HA H 13 4.456 4.324 0.132 1
1 159 . 10 1 1 A 13 13 ASN C C 13 176.140 175.165 0.975 1
1 160 . 10 1 1 A 13 13 ASN CA C 13 53.920 54.072 -0.152 1
1 161 . 10 1 1 A 13 13 ASN CB C 13 39.360 37.812 1.548 1
1 162 . 10 1 1 A 13 13 ASN N N 13 115.910 119.227 -3.317 1
1 164 . 10 1 1 A 14 14 LEU H H 14 8.221 8.101 0.120 1
1 165 . 10 1 1 A 14 14 LEU HA H 14 4.350 4.260 0.090 1
1 175 . 10 1 1 A 14 14 LEU C C 14 177.880 175.695 2.185 1
1 176 . 10 1 1 A 14 14 LEU CA C 14 54.000 55.312 -1.312 1
1 177 . 10 1 1 A 14 14 LEU CB C 14 42.830 43.299 -0.469 1
1 181 . 10 1 1 A 14 14 LEU N N 14 116.310 120.052 -3.742 1
1 182 . 10 1 1 A 15 15 ASN H H 15 9.226 8.584 0.642 1
1 183 . 10 1 1 A 15 15 ASN HA H 15 4.225 4.806 -0.581 1
1 188 . 10 1 1 A 15 15 ASN C C 15 176.150 176.714 -0.564 1
1 189 . 10 1 1 A 15 15 ASN CA C 15 54.210 53.256 0.954 1
1 190 . 10 1 1 A 15 15 ASN CB C 15 38.050 39.336 -1.286 1
1 191 . 10 1 1 A 15 15 ASN N N 15 120.300 122.800 -2.500 1
1 193 . 10 1 1 A 16 16 GLU H H 16 9.234 8.750 0.484 1
1 194 . 10 1 1 A 16 16 GLU HA H 16 4.110 4.057 0.053 1
1 199 . 10 1 1 A 16 16 GLU C C 16 176.510 178.108 -1.598 1
1 200 . 10 1 1 A 16 16 GLU CA C 16 57.800 58.492 -0.692 1
1 201 . 10 1 1 A 16 16 GLU CB C 16 29.300 29.064 0.236 1
1 203 . 10 1 1 A 16 16 GLU N N 16 128.160 125.998 2.162 1
1 204 . 10 1 1 A 17 17 LYS H H 17 8.421 8.192 0.229 1
1 205 . 10 1 1 A 17 17 LYS HA H 17 4.170 4.090 0.080 1
1 214 . 10 1 1 A 17 17 LYS C C 17 176.700 176.872 -0.172 1
1 215 . 10 1 1 A 17 17 LYS CA C 17 56.750 58.941 -2.191 1
1 216 . 10 1 1 A 17 17 LYS CB C 17 32.370 31.798 0.572 1
1 220 . 10 1 1 A 17 17 LYS N N 17 118.450 118.401 0.049 1
1 221 . 10 1 1 A 18 18 ILE H H 18 6.751 7.287 -0.536 1
1 222 . 10 1 1 A 18 18 ILE HA H 18 3.830 3.837 -0.007 1
1 232 . 10 1 1 A 18 18 ILE C C 18 176.560 175.858 0.702 1
1 233 . 10 1 1 A 18 18 ILE CA C 18 58.640 61.897 -3.257 1
1 234 . 10 1 1 A 18 18 ILE CB C 18 35.940 37.741 -1.801 1
1 238 . 10 1 1 A 18 18 ILE N N 18 118.790 122.237 -3.447 1
1 239 . 10 1 1 A 19 19 LYS H H 19 8.815 8.763 0.052 1
1 240 . 10 1 1 A 19 19 LYS HA H 19 4.189 4.211 -0.022 1
1 249 . 10 1 1 A 19 19 LYS C C 19 178.340 177.823 0.517 1
1 250 . 10 1 1 A 19 19 LYS CA C 19 57.250 56.031 1.219 1
1 251 . 10 1 1 A 19 19 LYS CB C 19 32.800 33.880 -1.080 1
1 255 . 10 1 1 A 19 19 LYS N N 19 129.030 128.724 0.306 1
1 256 . 10 1 1 A 20 20 LYS H H 20 9.032 8.999 0.033 1
1 257 . 10 1 1 A 20 20 LYS HA H 20 3.854 3.894 -0.040 1
1 266 . 10 1 1 A 20 20 LYS C C 20 178.390 177.907 0.483 1
1 267 . 10 1 1 A 20 20 LYS CA C 20 59.740 60.478 -0.738 1
1 268 . 10 1 1 A 20 20 LYS CB C 20 31.390 32.068 -0.678 1
1 272 . 10 1 1 A 20 20 LYS N N 20 123.440 126.878 -3.438 1
1 273 . 10 1 1 A 21 21 GLU H H 21 9.341 7.996 1.345 1
1 274 . 10 1 1 A 21 21 GLU HA H 21 4.074 4.081 -0.007 1
1 279 . 10 1 1 A 21 21 GLU C C 21 179.120 179.333 -0.213 1
1 280 . 10 1 1 A 21 21 GLU CA C 21 60.270 59.318 0.952 1
1 281 . 10 1 1 A 21 21 GLU CB C 21 28.840 29.081 -0.241 1
1 283 . 10 1 1 A 21 21 GLU N N 21 117.890 118.159 -0.269 1
1 284 . 10 1 1 A 22 22 GLU H H 22 6.994 8.167 -1.173 1
1 285 . 10 1 1 A 22 22 GLU HA H 22 4.166 4.099 0.067 1
1 290 . 10 1 1 A 22 22 GLU C C 22 178.200 179.001 -0.801 1
1 291 . 10 1 1 A 22 22 GLU CA C 22 58.530 59.069 -0.539 1
1 292 . 10 1 1 A 22 22 GLU CB C 22 29.180 29.948 -0.768 1
1 294 . 10 1 1 A 22 22 GLU N N 22 119.810 120.240 -0.430 1
1 295 . 10 1 1 A 23 23 LEU H H 23 8.462 8.492 -0.030 1
1 296 . 10 1 1 A 23 23 LEU HA H 23 3.981 4.192 -0.211 1
1 306 . 10 1 1 A 23 23 LEU C C 23 178.780 178.433 0.347 1
1 307 . 10 1 1 A 23 23 LEU CA C 23 58.840 58.222 0.618 1
1 308 . 10 1 1 A 23 23 LEU CB C 23 42.420 41.796 0.624 1
1 312 . 10 1 1 A 23 23 LEU N N 23 121.220 121.318 -0.098 1
1 313 . 10 1 1 A 24 24 LYS H H 24 8.411 8.447 -0.036 1
1 314 . 10 1 1 A 24 24 LYS HA H 24 3.808 4.027 -0.219 1
1 323 . 10 1 1 A 24 24 LYS C C 24 178.200 178.713 -0.513 1
1 324 . 10 1 1 A 24 24 LYS CA C 24 61.500 59.693 1.807 1
1 325 . 10 1 1 A 24 24 LYS CB C 24 32.500 32.442 0.058 1
1 329 . 10 1 1 A 24 24 LYS N N 24 116.620 118.841 -2.221 1
1 330 . 10 1 1 A 25 25 LYS H H 25 7.592 8.202 -0.610 1
1 331 . 10 1 1 A 25 25 LYS HA H 25 4.181 4.106 0.075 1
1 340 . 10 1 1 A 25 25 LYS C C 25 180.280 179.698 0.582 1
1 341 . 10 1 1 A 25 25 LYS CA C 25 60.140 59.400 0.740 1
1 342 . 10 1 1 A 25 25 LYS CB C 25 32.690 32.239 0.451 1
1 346 . 10 1 1 A 25 25 LYS N N 25 118.830 119.207 -0.377 1
1 347 . 10 1 1 A 26 26 SER H H 26 8.845 8.442 0.403 1
1 348 . 10 1 1 A 26 26 SER HA H 26 4.570 4.182 0.388 1
1 351 . 10 1 1 A 26 26 SER C C 26 176.880 176.643 0.237 1
1 352 . 10 1 1 A 26 26 SER CA C 26 62.210 62.751 -0.541 1
1 353 . 10 1 1 A 26 26 SER CB C 26 63.320 62.944 0.376 1
1 354 . 10 1 1 A 26 26 SER N N 26 117.880 117.226 0.654 1
1 355 . 10 1 1 A 27 27 LEU H H 27 9.040 8.626 0.414 1
1 356 . 10 1 1 A 27 27 LEU HA H 27 4.190 4.248 -0.058 1
1 366 . 10 1 1 A 27 27 LEU C C 27 179.100 179.017 0.083 1
1 367 . 10 1 1 A 27 27 LEU CA C 27 57.960 57.910 0.050 1
1 368 . 10 1 1 A 27 27 LEU CB C 27 43.030 42.233 0.797 1
1 372 . 10 1 1 A 27 27 LEU N N 27 122.840 121.503 1.337 1
1 373 . 10 1 1 A 28 28 TYR H H 28 8.535 8.626 -0.091 1
1 374 . 10 1 1 A 28 28 TYR HA H 28 3.826 4.116 -0.290 1
1 379 . 10 1 1 A 28 28 TYR C C 28 178.360 178.392 -0.032 1
1 380 . 10 1 1 A 28 28 TYR CA C 28 63.220 62.264 0.956 1
1 381 . 10 1 1 A 28 28 TYR CB C 28 38.320 38.691 -0.371 1
1 384 . 10 1 1 A 28 28 TYR N N 28 121.030 119.382 1.648 1
1 385 . 10 1 1 A 29 29 ALA H H 29 8.009 8.546 -0.537 1
1 386 . 10 1 1 A 29 29 ALA HA H 29 3.364 4.137 -0.773 1
1 390 . 10 1 1 A 29 29 ALA CA C 29 55.420 54.945 0.475 1
1 391 . 10 1 1 A 29 29 ALA CB C 29 18.920 18.703 0.217 1
1 392 . 10 1 1 A 29 29 ALA N N 29 120.570 121.688 -1.118 1
1 393 . 10 1 1 A 30 30 ILE HA H 30 4.048 4.195 -0.147 1
1 403 . 10 1 1 A 30 30 ILE C C 30 177.270 177.473 -0.203 1
1 404 . 10 1 1 A 30 30 ILE CA C 30 63.380 63.102 0.278 1
1 405 . 10 1 1 A 30 30 ILE CB C 30 38.850 39.674 -0.824 1
1 409 . 10 1 1 A 31 31 PHE H H 31 8.446 8.836 -0.390 1
1 410 . 10 1 1 A 31 31 PHE HA H 31 4.900 4.470 0.430 1
1 415 . 10 1 1 A 31 31 PHE C C 31 177.820 178.158 -0.338 1
1 416 . 10 1 1 A 31 31 PHE CA C 31 62.380 60.306 2.074 1
1 417 . 10 1 1 A 31 31 PHE CB C 31 38.900 38.194 0.706 1
1 418 . 10 1 1 A 31 31 PHE N N 31 115.770 119.699 -3.929 1
1 419 . 10 1 1 A 32 32 SER H H 32 8.392 8.128 0.264 1
1 420 . 10 1 1 A 32 32 SER HA H 32 4.365 4.351 0.014 1
1 423 . 10 1 1 A 32 32 SER C C 32 176.140 176.507 -0.367 1
1 424 . 10 1 1 A 32 32 SER CA C 32 61.680 62.127 -0.447 1
1 425 . 10 1 1 A 32 32 SER CB C 32 62.460 62.857 -0.397 1
1 426 . 10 1 1 A 32 32 SER N N 32 116.890 115.307 1.583 1
1 427 . 10 1 1 A 33 33 GLN H H 33 7.310 7.822 -0.512 1
1 428 . 10 1 1 A 33 33 GLN HA H 33 4.059 3.980 0.079 1
1 435 . 10 1 1 A 33 33 GLN C C 33 176.330 176.475 -0.145 1
1 436 . 10 1 1 A 33 33 GLN CA C 33 57.220 57.653 -0.433 1
1 437 . 10 1 1 A 33 33 GLN CB C 33 28.040 28.272 -0.232 1
1 439 . 10 1 1 A 33 33 GLN N N 33 117.530 119.595 -2.065 1
1 441 . 10 1 1 A 34 34 PHE H H 34 7.626 7.661 -0.035 1
1 442 . 10 1 1 A 34 34 PHE HA H 34 4.435 4.631 -0.196 1
1 447 . 10 1 1 A 34 34 PHE C C 34 175.590 175.837 -0.247 1
1 448 . 10 1 1 A 34 34 PHE CA C 34 59.410 58.207 1.203 1
1 449 . 10 1 1 A 34 34 PHE CB C 34 39.380 40.023 -0.643 1
1 452 . 10 1 1 A 34 34 PHE N N 34 116.090 116.535 -0.445 1
1 453 . 10 1 1 A 35 35 GLY H H 35 7.595 7.399 0.196 1
1 454 . 10 1 1 A 35 35 GLY HA2 H 35 3.960 3.990 -0.030 1
1 455 . 10 1 1 A 35 35 GLY HA3 H 35 4.612 4.064 0.548 1
1 456 . 10 1 1 A 35 35 GLY C C 35 170.890 174.507 -3.617 1
1 457 . 10 1 1 A 35 35 GLY CA C 35 44.160 45.529 -1.369 1
1 458 . 10 1 1 A 35 35 GLY N N 35 107.470 106.029 1.441 1
1 459 . 10 1 1 A 36 36 GLN H H 36 8.404 8.381 0.023 1
1 460 . 10 1 1 A 36 36 GLN HA H 36 4.275 4.139 0.136 1
1 467 . 10 1 1 A 36 36 GLN C C 36 176.650 175.169 1.481 1
1 468 . 10 1 1 A 36 36 GLN CA C 36 57.180 56.538 0.642 1
1 469 . 10 1 1 A 36 36 GLN CB C 36 29.360 27.554 1.806 1
1 471 . 10 1 1 A 36 36 GLN N N 36 116.620 118.398 -1.778 1
1 473 . 10 1 1 A 37 37 ILE H H 37 9.009 8.082 0.927 1
1 474 . 10 1 1 A 37 37 ILE HA H 37 4.068 3.708 0.360 1
1 484 . 10 1 1 A 37 37 ILE C C 37 176.530 175.845 0.685 1
1 485 . 10 1 1 A 37 37 ILE CA C 37 61.270 62.143 -0.873 1
1 486 . 10 1 1 A 37 37 ILE CB C 37 40.600 37.886 2.714 1
1 490 . 10 1 1 A 37 37 ILE N N 37 129.370 128.188 1.182 1
1 491 . 10 1 1 A 38 38 LEU H H 38 9.472 9.319 0.153 1
1 492 . 10 1 1 A 38 38 LEU HA H 38 4.291 4.556 -0.265 1
1 502 . 10 1 1 A 38 38 LEU C C 38 176.900 175.333 1.567 1
1 503 . 10 1 1 A 38 38 LEU CA C 38 56.520 55.998 0.522 1
1 504 . 10 1 1 A 38 38 LEU CB C 38 42.030 44.822 -2.792 1
1 508 . 10 1 1 A 38 38 LEU N N 38 128.180 127.959 0.221 1
1 509 . 10 1 1 A 39 39 ASP H H 39 7.493 7.761 -0.268 1
1 510 . 10 1 1 A 39 39 ASP HA H 39 4.715 4.949 -0.234 1
1 513 . 10 1 1 A 39 39 ASP C C 39 173.560 173.691 -0.131 1
1 514 . 10 1 1 A 39 39 ASP CA C 39 53.510 53.464 0.046 1
1 515 . 10 1 1 A 39 39 ASP CB C 39 44.160 43.975 0.185 1
1 516 . 10 1 1 A 39 39 ASP N N 39 114.640 117.357 -2.717 1
1 517 . 10 1 1 A 40 40 ILE H H 40 8.537 8.519 0.018 1
1 518 . 10 1 1 A 40 40 ILE HA H 40 4.722 4.861 -0.139 1
1 528 . 10 1 1 A 40 40 ILE C C 40 174.090 175.099 -1.009 1
1 529 . 10 1 1 A 40 40 ILE CA C 40 61.060 59.870 1.190 1
1 530 . 10 1 1 A 40 40 ILE CB C 40 41.220 42.266 -1.046 1
1 534 . 10 1 1 A 40 40 ILE N N 40 119.670 121.815 -2.145 1
1 535 . 10 1 1 A 41 41 VAL H H 41 8.807 8.872 -0.065 1
1 536 . 10 1 1 A 41 41 VAL HA H 41 4.195 4.869 -0.674 1
1 544 . 10 1 1 A 41 41 VAL C C 41 174.470 174.609 -0.139 1
1 545 . 10 1 1 A 41 41 VAL CA C 41 61.020 61.461 -0.441 1
1 546 . 10 1 1 A 41 41 VAL CB C 41 34.160 34.189 -0.029 1
1 549 . 10 1 1 A 41 41 VAL N N 41 127.000 126.267 0.733 1
1 550 . 10 1 1 A 42 42 ALA H H 42 8.708 8.960 -0.252 1
1 551 . 10 1 1 A 42 42 ALA HA H 42 4.796 5.091 -0.295 1
1 555 . 10 1 1 A 42 42 ALA C C 42 175.210 175.497 -0.287 1
1 556 . 10 1 1 A 42 42 ALA CA C 42 51.430 51.296 0.134 1
1 557 . 10 1 1 A 42 42 ALA CB C 42 19.780 24.243 -4.463 1
1 558 . 10 1 1 A 42 42 ALA N N 42 130.100 128.323 1.777 1
1 559 . 10 1 1 A 43 43 LEU H H 43 8.224 8.329 -0.105 1
1 560 . 10 1 1 A 43 43 LEU HA H 43 4.575 5.028 -0.453 1
1 570 . 10 1 1 A 43 43 LEU CA C 43 54.620 53.352 1.268 1
1 571 . 10 1 1 A 43 43 LEU CB C 43 43.640 45.010 -1.370 1
1 575 . 10 1 1 A 43 43 LEU N N 43 122.270 120.280 1.990 1
1 576 . 10 1 1 A 44 44 LYS HA H 44 4.570 4.206 0.364 1
1 585 . 10 1 1 A 44 44 LYS CA C 44 56.000 58.026 -2.026 1
1 586 . 10 1 1 A 44 44 LYS CB C 44 32.940 32.634 0.306 1
1 590 . 10 1 1 A 45 45 THR H H 45 7.706 7.532 0.174 1
1 591 . 10 1 1 A 45 45 THR HA H 45 4.494 4.258 0.236 1
1 596 . 10 1 1 A 45 45 THR CA C 45 60.500 61.809 -1.309 1
1 597 . 10 1 1 A 45 45 THR CB C 45 70.450 69.926 0.524 1
1 599 . 10 1 1 A 45 45 THR N N 45 113.650 111.901 1.749 1
1 600 . 10 1 1 A 46 46 LEU HA H 46 4.142 3.910 0.232 1
1 610 . 10 1 1 A 46 46 LEU C C 46 179.030 178.590 0.440 1
1 611 . 10 1 1 A 46 46 LEU CA C 46 57.630 58.168 -0.538 1
1 612 . 10 1 1 A 46 46 LEU CB C 46 42.020 41.411 0.609 1
1 616 . 10 1 1 A 47 47 LYS H H 47 8.325 8.931 -0.606 1
1 617 . 10 1 1 A 47 47 LYS HA H 47 4.139 4.154 -0.015 1
1 626 . 10 1 1 A 47 47 LYS C C 47 176.700 177.122 -0.422 1
1 627 . 10 1 1 A 47 47 LYS CA C 47 57.800 58.648 -0.848 1
1 628 . 10 1 1 A 47 47 LYS CB C 47 32.440 31.581 0.859 1
1 632 . 10 1 1 A 47 47 LYS N N 47 116.870 120.815 -3.945 1
1 633 . 10 1 1 A 48 48 MET H H 48 7.649 7.960 -0.311 1
1 634 . 10 1 1 A 48 48 MET HA H 48 4.581 4.805 -0.224 1
1 642 . 10 1 1 A 48 48 MET C C 48 175.550 176.439 -0.889 1
1 643 . 10 1 1 A 48 48 MET CA C 48 54.970 55.295 -0.325 1
1 644 . 10 1 1 A 48 48 MET CB C 48 32.770 33.937 -1.167 1
1 647 . 10 1 1 A 48 48 MET N N 48 116.090 118.333 -2.243 1
1 648 . 10 1 1 A 49 49 ARG H H 49 7.653 8.014 -0.361 1
1 649 . 10 1 1 A 49 49 ARG HA H 49 4.377 4.447 -0.070 1
1 656 . 10 1 1 A 49 49 ARG C C 49 177.450 179.041 -1.591 1
1 657 . 10 1 1 A 49 49 ARG CA C 49 57.250 57.153 0.097 1
1 658 . 10 1 1 A 49 49 ARG CB C 49 30.400 30.859 -0.459 1
1 661 . 10 1 1 A 49 49 ARG N N 49 119.580 119.214 0.366 1
1 662 . 10 1 1 A 50 50 GLY H H 50 9.177 7.886 1.291 1
1 663 . 10 1 1 A 50 50 GLY HA2 H 50 3.960 3.941 0.019 1
1 664 . 10 1 1 A 50 50 GLY HA3 H 50 4.107 3.947 0.160 1
1 665 . 10 1 1 A 50 50 GLY C C 50 172.960 173.873 -0.913 1
1 666 . 10 1 1 A 50 50 GLY CA C 50 46.140 45.676 0.464 1
1 667 . 10 1 1 A 50 50 GLY N N 50 111.640 107.548 4.092 1
1 668 . 10 1 1 A 51 51 GLN H H 51 7.853 7.749 0.104 1
1 669 . 10 1 1 A 51 51 GLN HA H 51 5.516 4.691 0.825 1
1 675 . 10 1 1 A 51 51 GLN C C 51 174.800 173.922 0.878 1
1 676 . 10 1 1 A 51 51 GLN CA C 51 54.160 54.229 -0.069 1
1 677 . 10 1 1 A 51 51 GLN CB C 51 34.330 32.121 2.209 1
1 679 . 10 1 1 A 51 51 GLN N N 51 117.000 116.281 0.719 1
1 681 . 10 1 1 A 52 52 ALA H H 52 8.765 8.108 0.657 1
1 682 . 10 1 1 A 52 52 ALA HA H 52 5.098 4.813 0.285 1
1 686 . 10 1 1 A 52 52 ALA C C 52 174.820 174.968 -0.148 1
1 687 . 10 1 1 A 52 52 ALA CA C 52 51.170 51.421 -0.251 1
1 688 . 10 1 1 A 52 52 ALA CB C 52 23.350 23.720 -0.370 1
1 689 . 10 1 1 A 52 52 ALA N N 52 121.050 120.462 0.588 1
1 690 . 10 1 1 A 53 53 PHE H H 53 8.840 8.916 -0.076 1
1 691 . 10 1 1 A 53 53 PHE HA H 53 5.615 5.541 0.074 1
1 696 . 10 1 1 A 53 53 PHE C C 53 174.870 174.588 0.282 1
1 697 . 10 1 1 A 53 53 PHE CA C 53 55.770 56.525 -0.755 1
1 698 . 10 1 1 A 53 53 PHE CB C 53 41.530 43.657 -2.127 1
1 701 . 10 1 1 A 53 53 PHE N N 53 115.860 115.837 0.023 1
1 702 . 10 1 1 A 54 54 VAL H H 54 8.766 8.692 0.074 1
1 703 . 10 1 1 A 54 54 VAL HA H 54 4.169 4.642 -0.473 1
1 711 . 10 1 1 A 54 54 VAL C C 54 173.330 173.694 -0.364 1
1 712 . 10 1 1 A 54 54 VAL CA C 54 61.920 60.300 1.620 1
1 713 . 10 1 1 A 54 54 VAL CB C 54 32.860 35.137 -2.277 1
1 716 . 10 1 1 A 54 54 VAL N N 54 121.920 118.861 3.059 1
1 717 . 10 1 1 A 55 55 ILE H H 55 8.319 9.074 -0.755 1
1 718 . 10 1 1 A 55 55 ILE HA H 55 4.512 5.279 -0.767 1
1 728 . 10 1 1 A 55 55 ILE C C 55 173.920 174.694 -0.774 1
1 729 . 10 1 1 A 55 55 ILE CA C 55 60.880 59.960 0.920 1
1 730 . 10 1 1 A 55 55 ILE CB C 55 39.130 39.961 -0.831 1
1 734 . 10 1 1 A 55 55 ILE N N 55 126.350 127.903 -1.553 1
1 735 . 10 1 1 A 56 56 PHE H H 56 9.009 9.097 -0.088 1
1 736 . 10 1 1 A 56 56 PHE HA H 56 4.889 4.942 -0.053 1
1 741 . 10 1 1 A 56 56 PHE C C 56 175.180 176.076 -0.896 1
1 742 . 10 1 1 A 56 56 PHE CA C 56 59.030 57.082 1.948 1
1 743 . 10 1 1 A 56 56 PHE CB C 56 40.320 43.103 -2.783 1
1 744 . 10 1 1 A 56 56 PHE N N 56 126.440 125.747 0.693 1
1 745 . 10 1 1 A 57 57 LYS H H 57 8.191 9.074 -0.883 1
1 746 . 10 1 1 A 57 57 LYS HA H 57 3.969 4.082 -0.113 1
1 755 . 10 1 1 A 57 57 LYS C C 57 176.140 175.704 0.436 1
1 756 . 10 1 1 A 57 57 LYS CA C 57 59.290 59.187 0.103 1
1 757 . 10 1 1 A 57 57 LYS CB C 57 33.850 32.825 1.025 1
1 761 . 10 1 1 A 57 57 LYS N N 57 119.130 122.437 -3.307 1
1 762 . 10 1 1 A 58 58 GLU H H 58 8.614 7.976 0.638 1
1 763 . 10 1 1 A 58 58 GLU HA H 58 4.850 4.629 0.221 1
1 768 . 10 1 1 A 58 58 GLU C C 58 177.130 176.189 0.941 1
1 769 . 10 1 1 A 58 58 GLU CA C 58 54.130 55.884 -1.754 1
1 770 . 10 1 1 A 58 58 GLU CB C 58 32.230 33.087 -0.857 1
1 772 . 10 1 1 A 58 58 GLU N N 58 114.350 117.704 -3.354 1
1 773 . 10 1 1 A 59 59 ILE H H 59 8.825 8.678 0.147 1
1 774 . 10 1 1 A 59 59 ILE HA H 59 3.499 3.833 -0.334 1
1 784 . 10 1 1 A 59 59 ILE C C 59 177.650 178.118 -0.468 1
1 785 . 10 1 1 A 59 59 ILE CA C 59 65.660 64.291 1.369 1
1 786 . 10 1 1 A 59 59 ILE CB C 59 38.040 37.640 0.400 1
1 790 . 10 1 1 A 59 59 ILE N N 59 122.940 123.061 -0.121 1
1 791 . 10 1 1 A 60 60 GLY H H 60 8.875 8.471 0.404 1
1 792 . 10 1 1 A 60 60 GLY HA2 H 60 3.780 3.796 -0.016 1
1 793 . 10 1 1 A 60 60 GLY HA3 H 60 3.925 3.810 0.115 1
1 794 . 10 1 1 A 60 60 GLY C C 60 176.700 176.369 0.331 1
1 795 . 10 1 1 A 60 60 GLY CA C 60 47.070 47.496 -0.426 1
1 796 . 10 1 1 A 60 60 GLY N N 60 106.980 110.875 -3.895 1
1 797 . 10 1 1 A 61 61 SER H H 61 6.973 7.949 -0.976 1
1 798 . 10 1 1 A 61 61 SER HA H 61 4.141 4.278 -0.137 1
1 801 . 10 1 1 A 61 61 SER C C 61 174.060 176.274 -2.214 1
1 802 . 10 1 1 A 61 61 SER CA C 61 61.870 62.491 -0.621 1
1 803 . 10 1 1 A 61 61 SER CB C 61 63.150 62.892 0.258 1
1 804 . 10 1 1 A 61 61 SER N N 61 116.200 119.296 -3.096 1
1 805 . 10 1 1 A 62 62 ALA H H 62 6.786 8.470 -1.684 1
1 806 . 10 1 1 A 62 62 ALA HA H 62 3.370 3.226 0.144 1
1 810 . 10 1 1 A 62 62 ALA C C 62 178.960 179.132 -0.172 1
1 811 . 10 1 1 A 62 62 ALA CA C 62 55.370 54.982 0.388 1
1 812 . 10 1 1 A 62 62 ALA CB C 62 19.030 18.558 0.472 1
1 813 . 10 1 1 A 62 62 ALA N N 62 123.660 123.850 -0.190 1
1 814 . 10 1 1 A 63 63 SER H H 63 8.379 8.083 0.296 1
1 815 . 10 1 1 A 63 63 SER HA H 63 4.551 4.105 0.446 1
1 818 . 10 1 1 A 63 63 SER C C 63 177.040 176.048 0.992 1
1 819 . 10 1 1 A 63 63 SER CA C 63 61.000 61.747 -0.747 1
1 820 . 10 1 1 A 63 63 SER CB C 63 63.090 62.756 0.334 1
1 821 . 10 1 1 A 63 63 SER N N 63 111.560 112.846 -1.286 1
1 822 . 10 1 1 A 64 64 ASN H H 64 7.737 8.291 -0.554 1
1 823 . 10 1 1 A 64 64 ASN HA H 64 4.434 4.340 0.094 1
1 828 . 10 1 1 A 64 64 ASN C C 64 177.490 177.223 0.267 1
1 829 . 10 1 1 A 64 64 ASN CA C 64 55.410 56.394 -0.984 1
1 830 . 10 1 1 A 64 64 ASN CB C 64 37.930 38.580 -0.650 1
1 831 . 10 1 1 A 64 64 ASN N N 64 120.200 120.373 -0.173 1
1 833 . 10 1 1 A 65 65 ALA H H 65 8.085 7.826 0.259 1
1 834 . 10 1 1 A 65 65 ALA HA H 65 4.864 3.971 0.893 1
1 838 . 10 1 1 A 65 65 ALA C C 65 178.180 179.340 -1.160 1
1 839 . 10 1 1 A 65 65 ALA CA C 65 54.700 54.961 -0.261 1
1 840 . 10 1 1 A 65 65 ALA CB C 65 19.950 18.072 1.878 1
1 841 . 10 1 1 A 65 65 ALA N N 65 125.150 121.774 3.376 1
1 842 . 10 1 1 A 66 66 LEU H H 66 8.083 8.130 -0.047 1
1 843 . 10 1 1 A 66 66 LEU HA H 66 3.560 4.090 -0.530 1
1 853 . 10 1 1 A 66 66 LEU C C 66 177.650 178.415 -0.765 1
1 854 . 10 1 1 A 66 66 LEU CA C 66 59.540 58.218 1.322 1
1 855 . 10 1 1 A 66 66 LEU CB C 66 42.020 41.639 0.381 1
1 859 . 10 1 1 A 66 66 LEU N N 66 118.670 119.556 -0.886 1
1 860 . 10 1 1 A 67 67 ARG H H 67 7.620 8.312 -0.692 1
1 861 . 10 1 1 A 67 67 ARG HA H 67 3.939 4.000 -0.061 1
1 868 . 10 1 1 A 67 67 ARG C C 67 178.960 178.817 0.143 1
1 869 . 10 1 1 A 67 67 ARG CA C 67 58.860 59.047 -0.187 1
1 870 . 10 1 1 A 67 67 ARG CB C 67 30.570 29.872 0.698 1
1 873 . 10 1 1 A 67 67 ARG N N 67 114.570 119.098 -4.528 1
1 874 . 10 1 1 A 68 68 THR H H 68 7.850 8.003 -0.153 1
1 875 . 10 1 1 A 68 68 THR HA H 68 4.040 3.690 0.350 1
1 880 . 10 1 1 A 68 68 THR C C 68 175.960 175.690 0.270 1
1 881 . 10 1 1 A 68 68 THR CA C 68 66.160 66.363 -0.203 1
1 882 . 10 1 1 A 68 68 THR CB C 68 69.260 67.677 1.583 1
1 884 . 10 1 1 A 68 68 THR N N 68 112.630 117.462 -4.832 1
1 885 . 10 1 1 A 69 69 MET H H 69 7.934 7.744 0.190 1
1 886 . 10 1 1 A 69 69 MET HA H 69 4.734 4.194 0.540 1
1 894 . 10 1 1 A 69 69 MET C C 69 175.820 175.894 -0.074 1
1 895 . 10 1 1 A 69 69 MET CA C 69 53.560 54.814 -1.254 1
1 896 . 10 1 1 A 69 69 MET CB C 69 29.730 31.713 -1.983 1
1 899 . 10 1 1 A 69 69 MET N N 69 115.080 116.240 -1.160 1
1 900 . 10 1 1 A 70 70 GLN H H 70 7.003 7.499 -0.496 1
1 901 . 10 1 1 A 70 70 GLN HA H 70 4.043 3.934 0.109 1
1 908 . 10 1 1 A 70 70 GLN C C 70 178.020 177.313 0.707 1
1 909 . 10 1 1 A 70 70 GLN CA C 70 57.710 58.032 -0.322 1
1 910 . 10 1 1 A 70 70 GLN CB C 70 30.080 28.243 1.837 1
1 912 . 10 1 1 A 70 70 GLN N N 70 120.730 120.265 0.465 1
1 914 . 10 1 1 A 71 71 GLY H H 71 8.693 8.799 -0.106 1
1 915 . 10 1 1 A 71 71 GLY HA2 H 71 4.230 3.906 0.324 1
1 916 . 10 1 1 A 71 71 GLY HA3 H 71 3.817 3.912 -0.095 1
1 917 . 10 1 1 A 71 71 GLY C C 71 173.290 174.206 -0.916 1
1 918 . 10 1 1 A 71 71 GLY CA C 71 45.960 45.834 0.126 1
1 919 . 10 1 1 A 71 71 GLY N N 71 118.750 114.742 4.008 1
1 920 . 10 1 1 A 72 72 PHE H H 72 8.426 8.145 0.281 1
1 921 . 10 1 1 A 72 72 PHE HA H 72 4.641 4.516 0.125 1
1 926 . 10 1 1 A 72 72 PHE CA C 72 56.830 57.044 -0.214 1
1 927 . 10 1 1 A 72 72 PHE CB C 72 40.650 39.943 0.707 1
1 928 . 10 1 1 A 72 72 PHE N N 72 124.640 122.004 2.636 1
1 929 . 10 1 1 A 73 73 PRO HA H 73 4.052 4.687 -0.635 1
1 934 . 10 1 1 A 73 73 PRO C C 73 174.500 176.414 -1.914 1
1 935 . 10 1 1 A 73 73 PRO CA C 73 62.460 62.087 0.373 1
1 936 . 10 1 1 A 73 73 PRO CB C 73 30.700 28.852 1.848 1
1 939 . 10 1 1 A 74 74 PHE H H 74 8.382 8.598 -0.216 1
1 940 . 10 1 1 A 74 74 PHE HA H 74 4.235 4.387 -0.152 1
1 945 . 10 1 1 A 74 74 PHE C C 74 175.590 174.595 0.995 1
1 946 . 10 1 1 A 74 74 PHE CA C 74 56.440 61.755 -5.315 1
1 947 . 10 1 1 A 74 74 PHE CB C 74 42.540 39.878 2.662 1
1 950 . 10 1 1 A 74 74 PHE N N 74 128.220 123.293 4.927 1
1 951 . 10 1 1 A 75 75 TYR H H 75 9.185 7.957 1.228 1
1 952 . 10 1 1 A 75 75 TYR HA H 75 3.764 4.954 -1.190 1
1 957 . 10 1 1 A 75 75 TYR C C 75 175.210 175.586 -0.376 1
1 958 . 10 1 1 A 75 75 TYR CA C 75 60.780 56.939 3.841 1
1 959 . 10 1 1 A 75 75 TYR CB C 75 36.110 42.448 -6.338 1
1 962 . 10 1 1 A 75 75 TYR N N 75 128.090 115.472 12.618 1
1 963 . 10 1 1 A 76 76 ASP H H 76 8.306 9.036 -0.730 1
1 964 . 10 1 1 A 76 76 ASP HA H 76 4.075 4.705 -0.630 1
1 967 . 10 1 1 A 76 76 ASP C C 76 175.390 175.547 -0.157 1
1 968 . 10 1 1 A 76 76 ASP CA C 76 56.360 54.834 1.526 1
1 969 . 10 1 1 A 76 76 ASP CB C 76 40.510 40.729 -0.219 1
1 970 . 10 1 1 A 76 76 ASP N N 76 107.370 122.093 -14.723 1
1 971 . 10 1 1 A 77 77 LYS H H 77 7.687 7.728 -0.041 1
1 972 . 10 1 1 A 77 77 LYS HA H 77 5.020 4.778 0.242 1
1 981 . 10 1 1 A 77 77 LYS CA C 77 53.450 52.877 0.573 1
1 982 . 10 1 1 A 77 77 LYS CB C 77 34.800 34.383 0.417 1
1 986 . 10 1 1 A 77 77 LYS N N 77 118.880 119.278 -0.398 1
1 987 . 10 1 1 A 78 78 PRO HA H 78 4.240 4.515 -0.275 1
1 994 . 10 1 1 A 78 78 PRO C C 78 177.470 177.104 0.366 1
1 995 . 10 1 1 A 78 78 PRO CA C 78 62.310 62.786 -0.476 1
1 996 . 10 1 1 A 78 78 PRO CB C 78 31.690 32.192 -0.502 1
1 999 . 10 1 1 A 79 79 MET H H 79 8.696 8.513 0.183 1
1 1000 . 10 1 1 A 79 79 MET HA H 79 4.289 4.528 -0.239 1
1 1008 . 10 1 1 A 79 79 MET C C 79 175.960 175.968 -0.008 1
1 1009 . 10 1 1 A 79 79 MET CA C 79 58.600 56.711 1.889 1
1 1010 . 10 1 1 A 79 79 MET CB C 79 35.200 33.415 1.785 1
1 1013 . 10 1 1 A 79 79 MET N N 79 126.540 121.987 4.553 1
1 1014 . 10 1 1 A 80 80 GLN H H 80 7.779 8.614 -0.835 1
1 1015 . 10 1 1 A 80 80 GLN HA H 80 4.855 5.186 -0.331 1
1 1022 . 10 1 1 A 80 80 GLN C C 80 174.820 174.717 0.103 1
1 1023 . 10 1 1 A 80 80 GLN CA C 80 54.550 54.240 0.310 1
1 1024 . 10 1 1 A 80 80 GLN CB C 80 29.320 31.531 -2.211 1
1 1026 . 10 1 1 A 80 80 GLN N N 80 122.810 121.016 1.794 1
1 1028 . 10 1 1 A 81 81 ILE H H 81 9.682 8.986 0.696 1
1 1029 . 10 1 1 A 81 81 ILE HA H 81 5.010 4.933 0.077 1
1 1039 . 10 1 1 A 81 81 ILE C C 81 174.710 174.421 0.289 1
1 1040 . 10 1 1 A 81 81 ILE CA C 81 60.900 59.994 0.906 1
1 1041 . 10 1 1 A 81 81 ILE CB C 81 40.120 42.270 -2.150 1
1 1045 . 10 1 1 A 81 81 ILE N N 81 126.070 123.561 2.509 1
1 1046 . 10 1 1 A 82 82 ALA H H 82 9.039 8.616 0.423 1
1 1047 . 10 1 1 A 82 82 ALA HA H 82 4.620 5.249 -0.629 1
1 1051 . 10 1 1 A 82 82 ALA C C 82 176.700 175.350 1.350 1
1 1052 . 10 1 1 A 82 82 ALA CA C 82 50.890 50.789 0.101 1
1 1053 . 10 1 1 A 82 82 ALA CB C 82 23.420 23.854 -0.434 1
1 1054 . 10 1 1 A 82 82 ALA N N 82 130.310 125.678 4.632 1
1 1055 . 10 1 1 A 83 83 TYR H H 83 8.411 8.786 -0.375 1
1 1056 . 10 1 1 A 83 83 TYR HA H 83 4.905 4.917 -0.012 1
1 1061 . 10 1 1 A 83 83 TYR C C 83 176.900 175.667 1.233 1
1 1062 . 10 1 1 A 83 83 TYR CA C 83 59.280 57.043 2.237 1
1 1063 . 10 1 1 A 83 83 TYR CB C 83 39.350 39.834 -0.484 1
1 1065 . 10 1 1 A 83 83 TYR N N 83 118.580 118.882 -0.302 1
1 1066 . 10 1 1 A 84 84 SER H H 84 8.452 9.235 -0.783 1
1 1067 . 10 1 1 A 84 84 SER HA H 84 4.248 4.474 -0.226 1
1 1070 . 10 1 1 A 84 84 SER C C 84 174.220 174.879 -0.659 1
1 1071 . 10 1 1 A 84 84 SER CA C 84 58.560 58.084 0.476 1
1 1072 . 10 1 1 A 84 84 SER CB C 84 64.100 61.120 2.980 1
1 1073 . 10 1 1 A 84 84 SER N N 84 115.040 119.292 -4.252 1
1 1074 . 10 1 1 A 85 85 LYS H H 85 8.443 8.174 0.269 1
1 1075 . 10 1 1 A 85 85 LYS HA H 85 4.275 4.036 0.239 1
1 1080 . 10 1 1 A 85 85 LYS C C 85 177.080 175.828 1.252 1
1 1081 . 10 1 1 A 85 85 LYS CA C 85 56.960 59.017 -2.057 1
1 1082 . 10 1 1 A 85 85 LYS CB C 85 33.150 32.642 0.508 1
1 1086 . 10 1 1 A 85 85 LYS N N 85 123.610 128.149 -4.539 1
1 1087 . 10 1 1 A 86 86 SER H H 86 8.204 7.730 0.474 1
1 1088 . 10 1 1 A 86 86 SER HA H 86 4.335 4.902 -0.567 1
1 1090 . 10 1 1 A 86 86 SER C C 86 174.080 171.720 2.360 1
1 1091 . 10 1 1 A 86 86 SER CA C 86 58.400 57.603 0.797 1
1 1092 . 10 1 1 A 86 86 SER CB C 86 63.750 67.303 -3.553 1
1 1093 . 10 1 1 A 86 86 SER N N 86 115.780 111.259 4.521 1
1 1094 . 10 1 1 A 87 87 ASP H H 87 8.435 8.807 -0.372 1
1 1095 . 10 1 1 A 87 87 ASP HA H 87 4.578 4.997 -0.419 1
1 1098 . 10 1 1 A 87 87 ASP C C 87 176.630 174.312 2.318 1
1 1099 . 10 1 1 A 87 87 ASP CA C 87 54.260 53.602 0.658 1
1 1100 . 10 1 1 A 87 87 ASP CB C 87 40.780 45.027 -4.247 1
1 1101 . 10 1 1 A 87 87 ASP N N 87 121.910 122.644 -0.734 1
1 1102 . 10 1 1 A 88 88 SER H H 88 8.061 8.845 -0.784 1
1 1103 . 10 1 1 A 88 88 SER HA H 88 4.328 4.776 -0.448 1
1 1106 . 10 1 1 A 88 88 SER C C 88 174.840 173.821 1.019 1
1 1107 . 10 1 1 A 88 88 SER CA C 88 58.800 57.676 1.124 1
1 1108 . 10 1 1 A 88 88 SER CB C 88 63.870 64.326 -0.456 1
1 1109 . 10 1 1 A 88 88 SER N N 88 116.440 118.439 -1.999 1
1 1110 . 10 1 1 A 89 89 ASP H H 89 8.556 8.389 0.167 1
1 1111 . 10 1 1 A 89 89 ASP HA H 89 4.460 4.984 -0.524 1
1 1114 . 10 1 1 A 89 89 ASP C C 89 177.450 177.218 0.232 1
1 1115 . 10 1 1 A 89 89 ASP CA C 89 56.110 55.485 0.625 1
1 1116 . 10 1 1 A 89 89 ASP CB C 89 40.500 43.383 -2.883 1
1 1117 . 10 1 1 A 89 89 ASP N N 89 123.080 121.377 1.703 1
1 1118 . 10 1 1 A 90 90 ILE H H 90 7.756 8.106 -0.350 1
1 1119 . 10 1 1 A 90 90 ILE HA H 90 3.829 3.750 0.079 1
1 1129 . 10 1 1 A 90 90 ILE C C 90 177.060 177.975 -0.915 1
1 1130 . 10 1 1 A 90 90 ILE CA C 90 63.070 64.182 -1.112 1
1 1131 . 10 1 1 A 90 90 ILE CB C 90 38.290 37.239 1.051 1
1 1135 . 10 1 1 A 90 90 ILE N N 90 119.250 118.659 0.591 1
1 1136 . 10 1 1 A 91 91 VAL H H 91 7.459 8.360 -0.901 1
1 1137 . 10 1 1 A 91 91 VAL HA H 91 3.613 3.497 0.116 1
1 1145 . 10 1 1 A 91 91 VAL C C 91 177.080 178.075 -0.995 1
1 1146 . 10 1 1 A 91 91 VAL CA C 91 65.250 66.495 -1.245 1
1 1147 . 10 1 1 A 91 91 VAL CB C 91 31.970 31.430 0.540 1
1 1150 . 10 1 1 A 91 91 VAL N N 91 121.040 121.983 -0.943 1
1 1151 . 10 1 1 A 92 92 ALA H H 92 8.076 7.877 0.199 1
1 1152 . 10 1 1 A 92 92 ALA HA H 92 4.098 3.840 0.258 1
1 1156 . 10 1 1 A 92 92 ALA C C 92 179.510 179.127 0.383 1
1 1157 . 10 1 1 A 92 92 ALA CA C 92 54.180 55.474 -1.294 1
1 1158 . 10 1 1 A 92 92 ALA CB C 92 18.660 17.993 0.667 1
1 1159 . 10 1 1 A 92 92 ALA N N 92 122.880 121.681 1.199 1
1 1160 . 10 1 1 A 93 93 LYS H H 93 7.946 8.077 -0.131 1
1 1161 . 10 1 1 A 93 93 LYS HA H 93 4.136 3.936 0.200 1
1 1170 . 10 1 1 A 93 93 LYS C C 93 178.300 179.729 -1.429 1
1 1171 . 10 1 1 A 93 93 LYS CA C 93 58.000 60.214 -2.214 1
1 1172 . 10 1 1 A 93 93 LYS CB C 93 32.550 32.231 0.319 1
1 1176 . 10 1 1 A 93 93 LYS N N 93 118.800 117.920 0.880 1
1 1177 . 10 1 1 A 94 94 ILE H H 94 7.894 7.555 0.339 1
1 1178 . 10 1 1 A 94 94 ILE HA H 94 3.906 3.914 -0.008 1
1 1188 . 10 1 1 A 94 94 ILE C C 94 177.720 178.062 -0.342 1
1 1189 . 10 1 1 A 94 94 ILE CA C 94 63.200 62.262 0.938 1
1 1190 . 10 1 1 A 94 94 ILE CB C 94 38.330 36.888 1.442 1
1 1194 . 10 1 1 A 94 94 ILE N N 94 120.760 118.248 2.512 1
1 1195 . 10 1 1 A 95 95 LYS H H 95 8.310 7.886 0.424 1
1 1196 . 10 1 1 A 95 95 LYS HA H 95 4.083 4.032 0.051 1
1 1205 . 10 1 1 A 95 95 LYS C C 95 177.660 177.368 0.292 1
1 1206 . 10 1 1 A 95 95 LYS CA C 95 57.930 58.882 -0.952 1
1 1207 . 10 1 1 A 95 95 LYS CB C 95 32.860 32.713 0.147 1
1 1211 . 10 1 1 A 95 95 LYS N N 95 121.330 121.456 -0.126 1
1 1212 . 10 1 1 A 96 96 GLY H H 96 8.122 7.703 0.419 1
1 1213 . 10 1 1 A 96 96 GLY HA2 H 96 3.999 4.024 -0.025 1
1 1214 . 10 1 1 A 96 96 GLY HA3 H 96 3.999 4.025 -0.026 1
1 1215 . 10 1 1 A 96 96 GLY C C 96 174.640 173.351 1.289 1
1 1216 . 10 1 1 A 96 96 GLY CA C 96 45.660 46.079 -0.419 1
1 1217 . 10 1 1 A 96 96 GLY N N 96 107.870 104.483 3.387 1
1 1218 . 10 1 1 A 97 97 THR H H 97 7.968 8.325 -0.357 1
1 1219 . 10 1 1 A 97 97 THR HA H 97 4.294 4.609 -0.315 1
1 1224 . 10 1 1 A 97 97 THR C C 97 174.590 174.454 0.136 1
1 1225 . 10 1 1 A 97 97 THR CA C 97 62.160 62.222 -0.062 1
1 1226 . 10 1 1 A 97 97 THR CB C 97 69.630 69.577 0.053 1
1 1228 . 10 1 1 A 97 97 THR N N 97 112.820 110.744 2.076 1
1 1229 . 10 1 1 A 98 98 PHE H H 98 7.938 8.165 -0.227 1
1 1230 . 10 1 1 A 98 98 PHE HA H 98 4.552 4.478 0.074 1
1 1235 . 10 1 1 A 98 98 PHE C C 98 175.370 174.732 0.638 1
1 1236 . 10 1 1 A 98 98 PHE CA C 98 58.150 59.116 -0.966 1
1 1237 . 10 1 1 A 98 98 PHE CB C 98 39.550 40.542 -0.992 1
1 1239 . 10 1 1 A 98 98 PHE N N 98 122.400 122.672 -0.272 1
1 1240 . 10 1 1 A 99 99 LYS H H 99 7.986 7.344 0.642 1
1 1241 . 10 1 1 A 99 99 LYS HA H 99 4.242 4.702 -0.460 1
1 1250 . 10 1 1 A 99 99 LYS C C 99 175.750 177.066 -1.316 1
1 1251 . 10 1 1 A 99 99 LYS CA C 99 56.030 54.287 1.743 1
1 1252 . 10 1 1 A 99 99 LYS CB C 99 33.390 35.584 -2.194 1
1 1256 . 10 1 1 A 99 99 LYS N N 99 123.810 117.075 6.735 1
1 1257 . 10 1 1 A 100 100 GLU H H 100 8.247 8.916 -0.669 1
1 1258 . 10 1 1 A 100 100 GLU HA H 100 4.202 4.140 0.062 1
1 1263 . 10 1 1 A 100 100 GLU C C 100 176.210 176.993 -0.783 1
1 1264 . 10 1 1 A 100 100 GLU CA C 100 56.270 58.514 -2.244 1
1 1265 . 10 1 1 A 100 100 GLU CB C 100 30.550 29.095 1.455 1
1 1267 . 10 1 1 A 100 100 GLU N N 100 122.270 120.406 1.864 1
1 1268 . 10 1 1 A 101 101 ARG H H 101 8.415 7.401 1.014 1
1 1269 . 10 1 1 A 101 101 ARG HA H 101 4.590 4.466 0.124 1
1 1276 . 10 1 1 A 101 101 ARG CA C 101 53.980 54.525 -0.545 1
1 1277 . 10 1 1 A 101 101 ARG CB C 101 30.070 29.793 0.277 1
1 1280 . 10 1 1 A 101 101 ARG N N 101 123.970 122.093 1.877 1
1 1281 . 10 1 1 A 102 102 PRO HA H 102 4.421 4.461 -0.040 1
1 1288 . 10 1 1 A 102 102 PRO C C 102 176.700 176.407 0.293 1
1 1289 . 10 1 1 A 102 102 PRO CA C 102 63.090 64.096 -1.006 1
1 1290 . 10 1 1 A 102 102 PRO CB C 102 32.160 31.775 0.385 1
1 1293 . 10 1 1 A 103 103 LYS H H 103 8.445 7.512 0.933 1
1 1294 . 10 1 1 A 103 103 LYS HA H 103 4.294 4.791 -0.497 1
1 1303 . 10 1 1 A 103 103 LYS C C 103 175.690 175.243 0.447 1
1 1304 . 10 1 1 A 103 103 LYS CA C 103 56.380 55.585 0.795 1
1 1305 . 10 1 1 A 103 103 LYS CB C 103 33.150 35.393 -2.243 1
1 1309 . 10 1 1 A 103 103 LYS N N 103 122.480 118.779 3.701 1
1 1 . 11 1 1 A 2 2 GLU HA H 2 4.372 4.671 -0.299 1
1 6 . 11 1 1 A 2 2 GLU C C 2 175.830 175.178 0.652 1
1 7 . 11 1 1 A 2 2 GLU CA C 2 56.340 54.832 1.508 1
1 8 . 11 1 1 A 2 2 GLU CB C 2 30.550 32.660 -2.110 1
1 10 . 11 1 1 A 3 3 MET H H 3 8.529 8.576 -0.047 1
1 11 . 11 1 1 A 3 3 MET HA H 3 4.534 4.677 -0.143 1
1 19 . 11 1 1 A 3 3 MET C C 3 175.350 175.972 -0.622 1
1 20 . 11 1 1 A 3 3 MET CA C 3 54.950 55.924 -0.974 1
1 21 . 11 1 1 A 3 3 MET CB C 3 33.150 33.807 -0.657 1
1 24 . 11 1 1 A 3 3 MET N N 3 122.340 120.635 1.705 1
1 25 . 11 1 1 A 4 4 LEU H H 4 8.265 8.531 -0.266 1
1 26 . 11 1 1 A 4 4 LEU HA H 4 4.579 4.725 -0.146 1
1 36 . 11 1 1 A 4 4 LEU CA C 4 52.620 52.092 0.528 1
1 37 . 11 1 1 A 4 4 LEU CB C 4 41.780 42.401 -0.621 1
1 41 . 11 1 1 A 4 4 LEU N N 4 125.280 122.112 3.168 1
1 42 . 11 1 1 A 5 5 PRO HA H 5 4.268 4.416 -0.148 1
1 49 . 11 1 1 A 5 5 PRO C C 5 175.390 175.101 0.289 1
1 50 . 11 1 1 A 5 5 PRO CA C 5 62.620 63.118 -0.498 1
1 51 . 11 1 1 A 5 5 PRO CB C 5 32.300 32.410 -0.110 1
1 54 . 11 1 1 A 6 6 ASN H H 6 6.913 9.016 -2.103 1
1 55 . 11 1 1 A 6 6 ASN HA H 6 4.460 5.087 -0.627 1
1 60 . 11 1 1 A 6 6 ASN C C 6 172.390 175.167 -2.777 1
1 61 . 11 1 1 A 6 6 ASN CA C 6 52.920 52.606 0.314 1
1 62 . 11 1 1 A 6 6 ASN CB C 6 41.920 41.729 0.191 1
1 63 . 11 1 1 A 6 6 ASN N N 6 117.610 120.303 -2.693 1
1 65 . 11 1 1 A 7 7 GLN H H 7 8.465 8.831 -0.366 1
1 66 . 11 1 1 A 7 7 GLN HA H 7 4.164 4.180 -0.016 1
1 73 . 11 1 1 A 7 7 GLN C C 7 175.020 175.559 -0.539 1
1 74 . 11 1 1 A 7 7 GLN CA C 7 58.100 57.917 0.183 1
1 75 . 11 1 1 A 7 7 GLN CB C 7 29.270 29.189 0.081 1
1 77 . 11 1 1 A 7 7 GLN N N 7 116.430 122.823 -6.393 1
1 79 . 11 1 1 A 8 8 THR H H 8 8.374 7.711 0.663 1
1 80 . 11 1 1 A 8 8 THR HA H 8 5.399 5.580 -0.181 1
1 85 . 11 1 1 A 8 8 THR C C 8 173.700 174.260 -0.560 1
1 86 . 11 1 1 A 8 8 THR CA C 8 62.380 61.270 1.110 1
1 87 . 11 1 1 A 8 8 THR CB C 8 69.100 73.014 -3.914 1
1 89 . 11 1 1 A 8 8 THR N N 8 118.220 111.158 7.062 1
1 90 . 11 1 1 A 9 9 ILE H H 9 8.794 9.253 -0.459 1
1 91 . 11 1 1 A 9 9 ILE HA H 9 5.085 5.387 -0.302 1
1 101 . 11 1 1 A 9 9 ILE C C 9 173.490 173.986 -0.496 1
1 102 . 11 1 1 A 9 9 ILE CA C 9 59.000 59.302 -0.302 1
1 103 . 11 1 1 A 9 9 ILE CB C 9 39.710 42.266 -2.556 1
1 107 . 11 1 1 A 9 9 ILE N N 9 118.250 120.763 -2.513 1
1 108 . 11 1 1 A 10 10 TYR H H 10 9.384 9.273 0.111 1
1 109 . 11 1 1 A 10 10 TYR HA H 10 5.032 5.521 -0.489 1
1 116 . 11 1 1 A 10 10 TYR C C 10 173.920 173.648 0.272 1
1 117 . 11 1 1 A 10 10 TYR CA C 10 55.240 56.194 -0.954 1
1 118 . 11 1 1 A 10 10 TYR CB C 10 40.700 41.926 -1.226 1
1 123 . 11 1 1 A 10 10 TYR N N 10 124.310 124.710 -0.400 1
1 124 . 11 1 1 A 11 11 ILE H H 11 9.000 9.477 -0.477 1
1 125 . 11 1 1 A 11 11 ILE HA H 11 4.629 4.825 -0.196 1
1 135 . 11 1 1 A 11 11 ILE C C 11 180.280 175.098 5.182 1
1 136 . 11 1 1 A 11 11 ILE CA C 11 60.050 59.995 0.055 1
1 137 . 11 1 1 A 11 11 ILE CB C 11 40.350 39.971 0.379 1
1 141 . 11 1 1 A 11 11 ILE N N 11 126.640 127.427 -0.787 1
1 142 . 11 1 1 A 12 12 ASN H H 12 8.844 8.795 0.049 1
1 143 . 11 1 1 A 12 12 ASN HA H 12 5.267 4.829 0.438 1
1 148 . 11 1 1 A 12 12 ASN C C 12 174.640 174.676 -0.036 1
1 149 . 11 1 1 A 12 12 ASN CA C 12 50.860 52.208 -1.348 1
1 150 . 11 1 1 A 12 12 ASN CB C 12 41.400 39.196 2.204 1
1 151 . 11 1 1 A 12 12 ASN N N 12 123.520 125.680 -2.160 1
1 153 . 11 1 1 A 13 13 ASN H H 13 8.689 7.795 0.894 1
1 154 . 11 1 1 A 13 13 ASN HA H 13 4.456 4.961 -0.505 1
1 159 . 11 1 1 A 13 13 ASN C C 13 176.140 174.305 1.835 1
1 160 . 11 1 1 A 13 13 ASN CA C 13 53.920 52.032 1.888 1
1 161 . 11 1 1 A 13 13 ASN CB C 13 39.360 39.470 -0.110 1
1 162 . 11 1 1 A 13 13 ASN N N 13 115.910 119.150 -3.240 1
1 164 . 11 1 1 A 14 14 LEU H H 14 8.221 7.389 0.832 1
1 165 . 11 1 1 A 14 14 LEU HA H 14 4.350 4.376 -0.026 1
1 175 . 11 1 1 A 14 14 LEU C C 14 177.880 176.681 1.199 1
1 176 . 11 1 1 A 14 14 LEU CA C 14 54.000 54.649 -0.649 1
1 177 . 11 1 1 A 14 14 LEU CB C 14 42.830 42.455 0.375 1
1 181 . 11 1 1 A 14 14 LEU N N 14 116.310 121.543 -5.233 1
1 182 . 11 1 1 A 15 15 ASN H H 15 9.226 8.656 0.570 1
1 183 . 11 1 1 A 15 15 ASN HA H 15 4.225 4.763 -0.538 1
1 188 . 11 1 1 A 15 15 ASN C C 15 176.150 176.336 -0.186 1
1 189 . 11 1 1 A 15 15 ASN CA C 15 54.210 53.761 0.449 1
1 190 . 11 1 1 A 15 15 ASN CB C 15 38.050 40.162 -2.112 1
1 191 . 11 1 1 A 15 15 ASN N N 15 120.300 123.088 -2.788 1
1 193 . 11 1 1 A 16 16 GLU H H 16 9.234 8.848 0.386 1
1 194 . 11 1 1 A 16 16 GLU HA H 16 4.110 4.225 -0.115 1
1 199 . 11 1 1 A 16 16 GLU C C 16 176.510 178.200 -1.690 1
1 200 . 11 1 1 A 16 16 GLU CA C 16 57.800 58.929 -1.129 1
1 201 . 11 1 1 A 16 16 GLU CB C 16 29.300 29.024 0.276 1
1 203 . 11 1 1 A 16 16 GLU N N 16 128.160 125.910 2.250 1
1 204 . 11 1 1 A 17 17 LYS H H 17 8.421 8.035 0.386 1
1 205 . 11 1 1 A 17 17 LYS HA H 17 4.170 4.117 0.053 1
1 214 . 11 1 1 A 17 17 LYS C C 17 176.700 176.851 -0.151 1
1 215 . 11 1 1 A 17 17 LYS CA C 17 56.750 58.622 -1.872 1
1 216 . 11 1 1 A 17 17 LYS CB C 17 32.370 31.712 0.658 1
1 220 . 11 1 1 A 17 17 LYS N N 17 118.450 117.345 1.105 1
1 221 . 11 1 1 A 18 18 ILE H H 18 6.751 7.450 -0.699 1
1 222 . 11 1 1 A 18 18 ILE HA H 18 3.830 3.794 0.036 1
1 232 . 11 1 1 A 18 18 ILE C C 18 176.560 175.843 0.717 1
1 233 . 11 1 1 A 18 18 ILE CA C 18 58.640 61.701 -3.061 1
1 234 . 11 1 1 A 18 18 ILE CB C 18 35.940 38.059 -2.119 1
1 238 . 11 1 1 A 18 18 ILE N N 18 118.790 122.794 -4.004 1
1 239 . 11 1 1 A 19 19 LYS H H 19 8.815 8.332 0.483 1
1 240 . 11 1 1 A 19 19 LYS HA H 19 4.189 4.087 0.102 1
1 249 . 11 1 1 A 19 19 LYS C C 19 178.340 177.609 0.731 1
1 250 . 11 1 1 A 19 19 LYS CA C 19 57.250 56.996 0.254 1
1 251 . 11 1 1 A 19 19 LYS CB C 19 32.800 33.137 -0.337 1
1 255 . 11 1 1 A 19 19 LYS N N 19 129.030 128.748 0.282 1
1 256 . 11 1 1 A 20 20 LYS H H 20 9.032 8.917 0.115 1
1 257 . 11 1 1 A 20 20 LYS HA H 20 3.854 4.098 -0.244 1
1 266 . 11 1 1 A 20 20 LYS C C 20 178.390 178.696 -0.306 1
1 267 . 11 1 1 A 20 20 LYS CA C 20 59.740 58.684 1.056 1
1 268 . 11 1 1 A 20 20 LYS CB C 20 31.390 32.207 -0.817 1
1 272 . 11 1 1 A 20 20 LYS N N 20 123.440 125.383 -1.943 1
1 273 . 11 1 1 A 21 21 GLU H H 21 9.341 8.015 1.326 1
1 274 . 11 1 1 A 21 21 GLU HA H 21 4.074 4.106 -0.032 1
1 279 . 11 1 1 A 21 21 GLU C C 21 179.120 179.415 -0.295 1
1 280 . 11 1 1 A 21 21 GLU CA C 21 60.270 59.209 1.061 1
1 281 . 11 1 1 A 21 21 GLU CB C 21 28.840 29.206 -0.366 1
1 283 . 11 1 1 A 21 21 GLU N N 21 117.890 120.305 -2.415 1
1 284 . 11 1 1 A 22 22 GLU H H 22 6.994 8.013 -1.019 1
1 285 . 11 1 1 A 22 22 GLU HA H 22 4.166 4.112 0.054 1
1 290 . 11 1 1 A 22 22 GLU C C 22 178.200 179.151 -0.951 1
1 291 . 11 1 1 A 22 22 GLU CA C 22 58.530 59.108 -0.578 1
1 292 . 11 1 1 A 22 22 GLU CB C 22 29.180 29.467 -0.287 1
1 294 . 11 1 1 A 22 22 GLU N N 22 119.810 119.913 -0.103 1
1 295 . 11 1 1 A 23 23 LEU H H 23 8.462 8.098 0.364 1
1 296 . 11 1 1 A 23 23 LEU HA H 23 3.981 4.225 -0.244 1
1 306 . 11 1 1 A 23 23 LEU C C 23 178.780 178.567 0.213 1
1 307 . 11 1 1 A 23 23 LEU CA C 23 58.840 58.220 0.620 1
1 308 . 11 1 1 A 23 23 LEU CB C 23 42.420 41.822 0.598 1
1 312 . 11 1 1 A 23 23 LEU N N 23 121.220 122.258 -1.038 1
1 313 . 11 1 1 A 24 24 LYS H H 24 8.411 8.345 0.066 1
1 314 . 11 1 1 A 24 24 LYS HA H 24 3.808 3.733 0.075 1
1 323 . 11 1 1 A 24 24 LYS C C 24 178.200 179.945 -1.745 1
1 324 . 11 1 1 A 24 24 LYS CA C 24 61.500 60.288 1.212 1
1 325 . 11 1 1 A 24 24 LYS CB C 24 32.500 32.411 0.089 1
1 329 . 11 1 1 A 24 24 LYS N N 24 116.620 118.996 -2.376 1
1 330 . 11 1 1 A 25 25 LYS H H 25 7.592 8.330 -0.738 1
1 331 . 11 1 1 A 25 25 LYS HA H 25 4.181 4.197 -0.016 1
1 340 . 11 1 1 A 25 25 LYS C C 25 180.280 179.465 0.815 1
1 341 . 11 1 1 A 25 25 LYS CA C 25 60.140 59.316 0.824 1
1 342 . 11 1 1 A 25 25 LYS CB C 25 32.690 32.094 0.596 1
1 346 . 11 1 1 A 25 25 LYS N N 25 118.830 120.171 -1.341 1
1 347 . 11 1 1 A 26 26 SER H H 26 8.845 8.404 0.441 1
1 348 . 11 1 1 A 26 26 SER HA H 26 4.570 4.131 0.439 1
1 351 . 11 1 1 A 26 26 SER C C 26 176.880 176.399 0.481 1
1 352 . 11 1 1 A 26 26 SER CA C 26 62.210 62.625 -0.415 1
1 353 . 11 1 1 A 26 26 SER CB C 26 63.320 62.895 0.425 1
1 354 . 11 1 1 A 26 26 SER N N 26 117.880 116.834 1.046 1
1 355 . 11 1 1 A 27 27 LEU H H 27 9.040 8.338 0.702 1
1 356 . 11 1 1 A 27 27 LEU HA H 27 4.190 4.084 0.106 1
1 366 . 11 1 1 A 27 27 LEU C C 27 179.100 178.800 0.300 1
1 367 . 11 1 1 A 27 27 LEU CA C 27 57.960 57.705 0.255 1
1 368 . 11 1 1 A 27 27 LEU CB C 27 43.030 41.783 1.247 1
1 372 . 11 1 1 A 27 27 LEU N N 27 122.840 121.029 1.811 1
1 373 . 11 1 1 A 28 28 TYR H H 28 8.535 8.211 0.324 1
1 374 . 11 1 1 A 28 28 TYR HA H 28 3.826 4.377 -0.551 1
1 379 . 11 1 1 A 28 28 TYR C C 28 178.360 178.128 0.232 1
1 380 . 11 1 1 A 28 28 TYR CA C 28 63.220 61.409 1.811 1
1 381 . 11 1 1 A 28 28 TYR CB C 28 38.320 37.557 0.763 1
1 384 . 11 1 1 A 28 28 TYR N N 28 121.030 118.007 3.023 1
1 385 . 11 1 1 A 29 29 ALA H H 29 8.009 8.082 -0.073 1
1 386 . 11 1 1 A 29 29 ALA HA H 29 3.364 4.271 -0.907 1
1 390 . 11 1 1 A 29 29 ALA CA C 29 55.420 54.733 0.687 1
1 391 . 11 1 1 A 29 29 ALA CB C 29 18.920 19.254 -0.334 1
1 392 . 11 1 1 A 29 29 ALA N N 29 120.570 122.082 -1.512 1
1 393 . 11 1 1 A 30 30 ILE HA H 30 4.048 4.410 -0.362 1
1 403 . 11 1 1 A 30 30 ILE C C 30 177.270 178.006 -0.736 1
1 404 . 11 1 1 A 30 30 ILE CA C 30 63.380 61.858 1.522 1
1 405 . 11 1 1 A 30 30 ILE CB C 30 38.850 39.463 -0.613 1
1 409 . 11 1 1 A 31 31 PHE H H 31 8.446 8.676 -0.230 1
1 410 . 11 1 1 A 31 31 PHE HA H 31 4.900 4.525 0.375 1
1 415 . 11 1 1 A 31 31 PHE C C 31 177.820 178.026 -0.206 1
1 416 . 11 1 1 A 31 31 PHE CA C 31 62.380 60.355 2.025 1
1 417 . 11 1 1 A 31 31 PHE CB C 31 38.900 38.160 0.740 1
1 418 . 11 1 1 A 31 31 PHE N N 31 115.770 121.720 -5.950 1
1 419 . 11 1 1 A 32 32 SER H H 32 8.392 8.199 0.193 1
1 420 . 11 1 1 A 32 32 SER HA H 32 4.365 4.335 0.030 1
1 423 . 11 1 1 A 32 32 SER C C 32 176.140 176.545 -0.405 1
1 424 . 11 1 1 A 32 32 SER CA C 32 61.680 62.315 -0.635 1
1 425 . 11 1 1 A 32 32 SER CB C 32 62.460 63.241 -0.781 1
1 426 . 11 1 1 A 32 32 SER N N 32 116.890 115.952 0.938 1
1 427 . 11 1 1 A 33 33 GLN H H 33 7.310 7.982 -0.672 1
1 428 . 11 1 1 A 33 33 GLN HA H 33 4.059 3.950 0.109 1
1 435 . 11 1 1 A 33 33 GLN C C 33 176.330 176.125 0.205 1
1 436 . 11 1 1 A 33 33 GLN CA C 33 57.220 57.262 -0.042 1
1 437 . 11 1 1 A 33 33 GLN CB C 33 28.040 27.964 0.076 1
1 439 . 11 1 1 A 33 33 GLN N N 33 117.530 119.592 -2.062 1
1 441 . 11 1 1 A 34 34 PHE H H 34 7.626 7.934 -0.308 1
1 442 . 11 1 1 A 34 34 PHE HA H 34 4.435 4.694 -0.259 1
1 447 . 11 1 1 A 34 34 PHE C C 34 175.590 175.855 -0.265 1
1 448 . 11 1 1 A 34 34 PHE CA C 34 59.410 58.828 0.582 1
1 449 . 11 1 1 A 34 34 PHE CB C 34 39.380 41.290 -1.910 1
1 452 . 11 1 1 A 34 34 PHE N N 34 116.090 115.219 0.871 1
1 453 . 11 1 1 A 35 35 GLY H H 35 7.595 7.909 -0.314 1
1 454 . 11 1 1 A 35 35 GLY HA2 H 35 3.960 4.200 -0.240 1
1 455 . 11 1 1 A 35 35 GLY HA3 H 35 4.612 4.224 0.388 1
1 456 . 11 1 1 A 35 35 GLY C C 35 170.890 173.088 -2.198 1
1 457 . 11 1 1 A 35 35 GLY CA C 35 44.160 45.463 -1.303 1
1 458 . 11 1 1 A 35 35 GLY N N 35 107.470 103.970 3.500 1
1 459 . 11 1 1 A 36 36 GLN H H 36 8.404 8.836 -0.432 1
1 460 . 11 1 1 A 36 36 GLN HA H 36 4.275 4.446 -0.171 1
1 467 . 11 1 1 A 36 36 GLN C C 36 176.650 176.416 0.234 1
1 468 . 11 1 1 A 36 36 GLN CA C 36 57.180 56.675 0.505 1
1 469 . 11 1 1 A 36 36 GLN CB C 36 29.360 29.442 -0.082 1
1 471 . 11 1 1 A 36 36 GLN N N 36 116.620 124.448 -7.828 1
1 473 . 11 1 1 A 37 37 ILE H H 37 9.009 8.910 0.099 1
1 474 . 11 1 1 A 37 37 ILE HA H 37 4.068 3.939 0.129 1
1 484 . 11 1 1 A 37 37 ILE C C 37 176.530 175.891 0.639 1
1 485 . 11 1 1 A 37 37 ILE CA C 37 61.270 61.599 -0.329 1
1 486 . 11 1 1 A 37 37 ILE CB C 37 40.600 38.558 2.042 1
1 490 . 11 1 1 A 37 37 ILE N N 37 129.370 127.038 2.332 1
1 491 . 11 1 1 A 38 38 LEU H H 38 9.472 9.145 0.327 1
1 492 . 11 1 1 A 38 38 LEU HA H 38 4.291 4.541 -0.250 1
1 502 . 11 1 1 A 38 38 LEU C C 38 176.900 175.440 1.460 1
1 503 . 11 1 1 A 38 38 LEU CA C 38 56.520 55.920 0.600 1
1 504 . 11 1 1 A 38 38 LEU CB C 38 42.030 45.219 -3.189 1
1 508 . 11 1 1 A 38 38 LEU N N 38 128.180 127.501 0.679 1
1 509 . 11 1 1 A 39 39 ASP H H 39 7.493 7.661 -0.168 1
1 510 . 11 1 1 A 39 39 ASP HA H 39 4.715 4.970 -0.255 1
1 513 . 11 1 1 A 39 39 ASP C C 39 173.560 173.706 -0.146 1
1 514 . 11 1 1 A 39 39 ASP CA C 39 53.510 53.507 0.003 1
1 515 . 11 1 1 A 39 39 ASP CB C 39 44.160 43.817 0.343 1
1 516 . 11 1 1 A 39 39 ASP N N 39 114.640 117.328 -2.688 1
1 517 . 11 1 1 A 40 40 ILE H H 40 8.537 8.463 0.074 1
1 518 . 11 1 1 A 40 40 ILE HA H 40 4.722 4.702 0.020 1
1 528 . 11 1 1 A 40 40 ILE C C 40 174.090 174.737 -0.647 1
1 529 . 11 1 1 A 40 40 ILE CA C 40 61.060 59.878 1.182 1
1 530 . 11 1 1 A 40 40 ILE CB C 40 41.220 42.040 -0.820 1
1 534 . 11 1 1 A 40 40 ILE N N 40 119.670 121.862 -2.192 1
1 535 . 11 1 1 A 41 41 VAL H H 41 8.807 8.518 0.289 1
1 536 . 11 1 1 A 41 41 VAL HA H 41 4.195 4.593 -0.398 1
1 544 . 11 1 1 A 41 41 VAL C C 41 174.470 174.290 0.180 1
1 545 . 11 1 1 A 41 41 VAL CA C 41 61.020 60.947 0.073 1
1 546 . 11 1 1 A 41 41 VAL CB C 41 34.160 33.520 0.640 1
1 549 . 11 1 1 A 41 41 VAL N N 41 127.000 125.954 1.046 1
1 550 . 11 1 1 A 42 42 ALA H H 42 8.708 8.733 -0.025 1
1 551 . 11 1 1 A 42 42 ALA HA H 42 4.796 5.125 -0.329 1
1 555 . 11 1 1 A 42 42 ALA C C 42 175.210 175.305 -0.095 1
1 556 . 11 1 1 A 42 42 ALA CA C 42 51.430 50.611 0.819 1
1 557 . 11 1 1 A 42 42 ALA CB C 42 19.780 23.478 -3.698 1
1 558 . 11 1 1 A 42 42 ALA N N 42 130.100 128.159 1.941 1
1 559 . 11 1 1 A 43 43 LEU H H 43 8.224 8.875 -0.651 1
1 560 . 11 1 1 A 43 43 LEU HA H 43 4.575 4.866 -0.291 1
1 570 . 11 1 1 A 43 43 LEU CA C 43 54.620 53.604 1.016 1
1 571 . 11 1 1 A 43 43 LEU CB C 43 43.640 46.008 -2.368 1
1 575 . 11 1 1 A 43 43 LEU N N 43 122.270 121.211 1.059 1
1 576 . 11 1 1 A 44 44 LYS HA H 44 4.570 4.256 0.314 1
1 585 . 11 1 1 A 44 44 LYS CA C 44 56.000 57.976 -1.976 1
1 586 . 11 1 1 A 44 44 LYS CB C 44 32.940 32.376 0.564 1
1 590 . 11 1 1 A 45 45 THR H H 45 7.706 7.429 0.277 1
1 591 . 11 1 1 A 45 45 THR HA H 45 4.494 4.203 0.291 1
1 596 . 11 1 1 A 45 45 THR CA C 45 60.500 61.590 -1.090 1
1 597 . 11 1 1 A 45 45 THR CB C 45 70.450 70.432 0.018 1
1 599 . 11 1 1 A 45 45 THR N N 45 113.650 113.853 -0.203 1
1 600 . 11 1 1 A 46 46 LEU HA H 46 4.142 4.053 0.089 1
1 610 . 11 1 1 A 46 46 LEU C C 46 179.030 177.848 1.182 1
1 611 . 11 1 1 A 46 46 LEU CA C 46 57.630 58.540 -0.910 1
1 612 . 11 1 1 A 46 46 LEU CB C 46 42.020 41.210 0.810 1
1 616 . 11 1 1 A 47 47 LYS H H 47 8.325 8.018 0.307 1
1 617 . 11 1 1 A 47 47 LYS HA H 47 4.139 4.041 0.098 1
1 626 . 11 1 1 A 47 47 LYS C C 47 176.700 177.435 -0.735 1
1 627 . 11 1 1 A 47 47 LYS CA C 47 57.800 58.965 -1.165 1
1 628 . 11 1 1 A 47 47 LYS CB C 47 32.440 32.256 0.184 1
1 632 . 11 1 1 A 47 47 LYS N N 47 116.870 119.410 -2.540 1
1 633 . 11 1 1 A 48 48 MET H H 48 7.649 7.721 -0.072 1
1 634 . 11 1 1 A 48 48 MET HA H 48 4.581 4.886 -0.305 1
1 642 . 11 1 1 A 48 48 MET C C 48 175.550 176.658 -1.108 1
1 643 . 11 1 1 A 48 48 MET CA C 48 54.970 54.982 -0.012 1
1 644 . 11 1 1 A 48 48 MET CB C 48 32.770 33.959 -1.189 1
1 647 . 11 1 1 A 48 48 MET N N 48 116.090 115.996 0.094 1
1 648 . 11 1 1 A 49 49 ARG H H 49 7.653 7.630 0.023 1
1 649 . 11 1 1 A 49 49 ARG HA H 49 4.377 3.962 0.415 1
1 656 . 11 1 1 A 49 49 ARG C C 49 177.450 177.429 0.021 1
1 657 . 11 1 1 A 49 49 ARG CA C 49 57.250 59.868 -2.618 1
1 658 . 11 1 1 A 49 49 ARG CB C 49 30.400 29.850 0.550 1
1 661 . 11 1 1 A 49 49 ARG N N 49 119.580 122.092 -2.512 1
1 662 . 11 1 1 A 50 50 GLY H H 50 9.177 7.841 1.336 1
1 663 . 11 1 1 A 50 50 GLY HA2 H 50 3.960 4.064 -0.104 1
1 664 . 11 1 1 A 50 50 GLY HA3 H 50 4.107 4.067 0.040 1
1 665 . 11 1 1 A 50 50 GLY C C 50 172.960 174.096 -1.136 1
1 666 . 11 1 1 A 50 50 GLY CA C 50 46.140 45.644 0.496 1
1 667 . 11 1 1 A 50 50 GLY N N 50 111.640 105.644 5.996 1
1 668 . 11 1 1 A 51 51 GLN H H 51 7.853 7.557 0.296 1
1 669 . 11 1 1 A 51 51 GLN HA H 51 5.516 5.072 0.444 1
1 675 . 11 1 1 A 51 51 GLN C C 51 174.800 174.020 0.780 1
1 676 . 11 1 1 A 51 51 GLN CA C 51 54.160 53.884 0.276 1
1 677 . 11 1 1 A 51 51 GLN CB C 51 34.330 32.644 1.686 1
1 679 . 11 1 1 A 51 51 GLN N N 51 117.000 117.230 -0.230 1
1 681 . 11 1 1 A 52 52 ALA H H 52 8.765 8.647 0.118 1
1 682 . 11 1 1 A 52 52 ALA HA H 52 5.098 4.974 0.124 1
1 686 . 11 1 1 A 52 52 ALA C C 52 174.820 176.068 -1.248 1
1 687 . 11 1 1 A 52 52 ALA CA C 52 51.170 51.385 -0.215 1
1 688 . 11 1 1 A 52 52 ALA CB C 52 23.350 23.563 -0.213 1
1 689 . 11 1 1 A 52 52 ALA N N 52 121.050 120.592 0.458 1
1 690 . 11 1 1 A 53 53 PHE H H 53 8.840 8.874 -0.034 1
1 691 . 11 1 1 A 53 53 PHE HA H 53 5.615 5.979 -0.364 1
1 696 . 11 1 1 A 53 53 PHE C C 53 174.870 172.723 2.147 1
1 697 . 11 1 1 A 53 53 PHE CA C 53 55.770 55.371 0.399 1
1 698 . 11 1 1 A 53 53 PHE CB C 53 41.530 43.285 -1.755 1
1 701 . 11 1 1 A 53 53 PHE N N 53 115.860 115.282 0.578 1
1 702 . 11 1 1 A 54 54 VAL H H 54 8.766 8.876 -0.110 1
1 703 . 11 1 1 A 54 54 VAL HA H 54 4.169 4.681 -0.512 1
1 711 . 11 1 1 A 54 54 VAL C C 54 173.330 173.762 -0.432 1
1 712 . 11 1 1 A 54 54 VAL CA C 54 61.920 60.069 1.851 1
1 713 . 11 1 1 A 54 54 VAL CB C 54 32.860 35.504 -2.644 1
1 716 . 11 1 1 A 54 54 VAL N N 54 121.920 119.019 2.901 1
1 717 . 11 1 1 A 55 55 ILE H H 55 8.319 9.038 -0.719 1
1 718 . 11 1 1 A 55 55 ILE HA H 55 4.512 5.140 -0.628 1
1 728 . 11 1 1 A 55 55 ILE C C 55 173.920 174.686 -0.766 1
1 729 . 11 1 1 A 55 55 ILE CA C 55 60.880 60.031 0.849 1
1 730 . 11 1 1 A 55 55 ILE CB C 55 39.130 39.720 -0.590 1
1 734 . 11 1 1 A 55 55 ILE N N 55 126.350 127.915 -1.565 1
1 735 . 11 1 1 A 56 56 PHE H H 56 9.009 9.064 -0.055 1
1 736 . 11 1 1 A 56 56 PHE HA H 56 4.889 4.980 -0.091 1
1 741 . 11 1 1 A 56 56 PHE C C 56 175.180 176.205 -1.025 1
1 742 . 11 1 1 A 56 56 PHE CA C 56 59.030 56.813 2.217 1
1 743 . 11 1 1 A 56 56 PHE CB C 56 40.320 43.165 -2.845 1
1 744 . 11 1 1 A 56 56 PHE N N 56 126.440 125.255 1.185 1
1 745 . 11 1 1 A 57 57 LYS H H 57 8.191 8.525 -0.334 1
1 746 . 11 1 1 A 57 57 LYS HA H 57 3.969 4.256 -0.287 1
1 755 . 11 1 1 A 57 57 LYS C C 57 176.140 176.936 -0.796 1
1 756 . 11 1 1 A 57 57 LYS CA C 57 59.290 58.086 1.204 1
1 757 . 11 1 1 A 57 57 LYS CB C 57 33.850 32.971 0.879 1
1 761 . 11 1 1 A 57 57 LYS N N 57 119.130 120.803 -1.673 1
1 762 . 11 1 1 A 58 58 GLU H H 58 8.614 7.978 0.636 1
1 763 . 11 1 1 A 58 58 GLU HA H 58 4.850 4.836 0.014 1
1 768 . 11 1 1 A 58 58 GLU C C 58 177.130 176.778 0.352 1
1 769 . 11 1 1 A 58 58 GLU CA C 58 54.130 54.878 -0.748 1
1 770 . 11 1 1 A 58 58 GLU CB C 58 32.230 33.763 -1.533 1
1 772 . 11 1 1 A 58 58 GLU N N 58 114.350 116.006 -1.656 1
1 773 . 11 1 1 A 59 59 ILE H H 59 8.825 8.651 0.174 1
1 774 . 11 1 1 A 59 59 ILE HA H 59 3.499 3.804 -0.305 1
1 784 . 11 1 1 A 59 59 ILE C C 59 177.650 178.153 -0.503 1
1 785 . 11 1 1 A 59 59 ILE CA C 59 65.660 64.295 1.365 1
1 786 . 11 1 1 A 59 59 ILE CB C 59 38.040 37.672 0.368 1
1 790 . 11 1 1 A 59 59 ILE N N 59 122.940 122.860 0.080 1
1 791 . 11 1 1 A 60 60 GLY H H 60 8.875 8.349 0.526 1
1 792 . 11 1 1 A 60 60 GLY HA2 H 60 3.780 3.815 -0.035 1
1 793 . 11 1 1 A 60 60 GLY HA3 H 60 3.925 3.828 0.097 1
1 794 . 11 1 1 A 60 60 GLY C C 60 176.700 176.795 -0.095 1
1 795 . 11 1 1 A 60 60 GLY CA C 60 47.070 47.472 -0.402 1
1 796 . 11 1 1 A 60 60 GLY N N 60 106.980 110.775 -3.795 1
1 797 . 11 1 1 A 61 61 SER H H 61 6.973 8.036 -1.063 1
1 798 . 11 1 1 A 61 61 SER HA H 61 4.141 4.293 -0.152 1
1 801 . 11 1 1 A 61 61 SER C C 61 174.060 176.270 -2.210 1
1 802 . 11 1 1 A 61 61 SER CA C 61 61.870 62.530 -0.660 1
1 803 . 11 1 1 A 61 61 SER CB C 61 63.150 62.839 0.311 1
1 804 . 11 1 1 A 61 61 SER N N 61 116.200 119.350 -3.150 1
1 805 . 11 1 1 A 62 62 ALA H H 62 6.786 8.072 -1.286 1
1 806 . 11 1 1 A 62 62 ALA HA H 62 3.370 2.883 0.487 1
1 810 . 11 1 1 A 62 62 ALA C C 62 178.960 179.555 -0.595 1
1 811 . 11 1 1 A 62 62 ALA CA C 62 55.370 54.767 0.603 1
1 812 . 11 1 1 A 62 62 ALA CB C 62 19.030 18.034 0.996 1
1 813 . 11 1 1 A 62 62 ALA N N 62 123.660 123.694 -0.034 1
1 814 . 11 1 1 A 63 63 SER H H 63 8.379 8.198 0.181 1
1 815 . 11 1 1 A 63 63 SER HA H 63 4.551 4.075 0.476 1
1 818 . 11 1 1 A 63 63 SER C C 63 177.040 177.265 -0.225 1
1 819 . 11 1 1 A 63 63 SER CA C 63 61.000 61.212 -0.212 1
1 820 . 11 1 1 A 63 63 SER CB C 63 63.090 62.979 0.111 1
1 821 . 11 1 1 A 63 63 SER N N 63 111.560 112.969 -1.409 1
1 822 . 11 1 1 A 64 64 ASN H H 64 7.737 8.551 -0.814 1
1 823 . 11 1 1 A 64 64 ASN HA H 64 4.434 4.399 0.035 1
1 828 . 11 1 1 A 64 64 ASN C C 64 177.490 177.223 0.267 1
1 829 . 11 1 1 A 64 64 ASN CA C 64 55.410 56.444 -1.034 1
1 830 . 11 1 1 A 64 64 ASN CB C 64 37.930 38.856 -0.926 1
1 831 . 11 1 1 A 64 64 ASN N N 64 120.200 118.846 1.354 1
1 833 . 11 1 1 A 65 65 ALA H H 65 8.085 7.913 0.172 1
1 834 . 11 1 1 A 65 65 ALA HA H 65 4.864 3.980 0.884 1
1 838 . 11 1 1 A 65 65 ALA C C 65 178.180 179.343 -1.163 1
1 839 . 11 1 1 A 65 65 ALA CA C 65 54.700 55.040 -0.340 1
1 840 . 11 1 1 A 65 65 ALA CB C 65 19.950 18.367 1.583 1
1 841 . 11 1 1 A 65 65 ALA N N 65 125.150 121.788 3.362 1
1 842 . 11 1 1 A 66 66 LEU H H 66 8.083 8.073 0.010 1
1 843 . 11 1 1 A 66 66 LEU HA H 66 3.560 4.085 -0.525 1
1 853 . 11 1 1 A 66 66 LEU C C 66 177.650 178.210 -0.560 1
1 854 . 11 1 1 A 66 66 LEU CA C 66 59.540 58.302 1.238 1
1 855 . 11 1 1 A 66 66 LEU CB C 66 42.020 41.570 0.450 1
1 859 . 11 1 1 A 66 66 LEU N N 66 118.670 119.747 -1.077 1
1 860 . 11 1 1 A 67 67 ARG H H 67 7.620 8.392 -0.772 1
1 861 . 11 1 1 A 67 67 ARG HA H 67 3.939 4.026 -0.087 1
1 868 . 11 1 1 A 67 67 ARG C C 67 178.960 178.969 -0.009 1
1 869 . 11 1 1 A 67 67 ARG CA C 67 58.860 58.808 0.052 1
1 870 . 11 1 1 A 67 67 ARG CB C 67 30.570 29.372 1.198 1
1 873 . 11 1 1 A 67 67 ARG N N 67 114.570 117.578 -3.008 1
1 874 . 11 1 1 A 68 68 THR H H 68 7.850 7.814 0.036 1
1 875 . 11 1 1 A 68 68 THR HA H 68 4.040 3.752 0.288 1
1 880 . 11 1 1 A 68 68 THR C C 68 175.960 175.549 0.411 1
1 881 . 11 1 1 A 68 68 THR CA C 68 66.160 66.533 -0.373 1
1 882 . 11 1 1 A 68 68 THR CB C 68 69.260 67.810 1.450 1
1 884 . 11 1 1 A 68 68 THR N N 68 112.630 117.355 -4.725 1
1 885 . 11 1 1 A 69 69 MET H H 69 7.934 7.756 0.178 1
1 886 . 11 1 1 A 69 69 MET HA H 69 4.734 4.306 0.428 1
1 894 . 11 1 1 A 69 69 MET C C 69 175.820 175.979 -0.159 1
1 895 . 11 1 1 A 69 69 MET CA C 69 53.560 54.926 -1.366 1
1 896 . 11 1 1 A 69 69 MET CB C 69 29.730 31.899 -2.169 1
1 899 . 11 1 1 A 69 69 MET N N 69 115.080 116.374 -1.294 1
1 900 . 11 1 1 A 70 70 GLN H H 70 7.003 7.732 -0.729 1
1 901 . 11 1 1 A 70 70 GLN HA H 70 4.043 3.936 0.107 1
1 908 . 11 1 1 A 70 70 GLN C C 70 178.020 177.325 0.695 1
1 909 . 11 1 1 A 70 70 GLN CA C 70 57.710 58.067 -0.357 1
1 910 . 11 1 1 A 70 70 GLN CB C 70 30.080 28.285 1.795 1
1 912 . 11 1 1 A 70 70 GLN N N 70 120.730 120.250 0.480 1
1 914 . 11 1 1 A 71 71 GLY H H 71 8.693 8.658 0.035 1
1 915 . 11 1 1 A 71 71 GLY HA2 H 71 4.230 3.899 0.331 1
1 916 . 11 1 1 A 71 71 GLY HA3 H 71 3.817 3.906 -0.089 1
1 917 . 11 1 1 A 71 71 GLY C C 71 173.290 174.444 -1.154 1
1 918 . 11 1 1 A 71 71 GLY CA C 71 45.960 45.851 0.109 1
1 919 . 11 1 1 A 71 71 GLY N N 71 118.750 114.772 3.978 1
1 920 . 11 1 1 A 72 72 PHE H H 72 8.426 8.228 0.198 1
1 921 . 11 1 1 A 72 72 PHE HA H 72 4.641 4.520 0.121 1
1 926 . 11 1 1 A 72 72 PHE CA C 72 56.830 57.229 -0.399 1
1 927 . 11 1 1 A 72 72 PHE CB C 72 40.650 40.064 0.586 1
1 928 . 11 1 1 A 72 72 PHE N N 72 124.640 122.054 2.586 1
1 929 . 11 1 1 A 73 73 PRO HA H 73 4.052 4.744 -0.692 1
1 934 . 11 1 1 A 73 73 PRO C C 73 174.500 176.291 -1.791 1
1 935 . 11 1 1 A 73 73 PRO CA C 73 62.460 62.078 0.382 1
1 936 . 11 1 1 A 73 73 PRO CB C 73 30.700 28.924 1.776 1
1 939 . 11 1 1 A 74 74 PHE H H 74 8.382 8.561 -0.179 1
1 940 . 11 1 1 A 74 74 PHE HA H 74 4.235 4.423 -0.188 1
1 945 . 11 1 1 A 74 74 PHE C C 74 175.590 174.636 0.954 1
1 946 . 11 1 1 A 74 74 PHE CA C 74 56.440 61.732 -5.292 1
1 947 . 11 1 1 A 74 74 PHE CB C 74 42.540 39.870 2.670 1
1 950 . 11 1 1 A 74 74 PHE N N 74 128.220 123.538 4.682 1
1 951 . 11 1 1 A 75 75 TYR H H 75 9.185 7.919 1.266 1
1 952 . 11 1 1 A 75 75 TYR HA H 75 3.764 4.889 -1.125 1
1 957 . 11 1 1 A 75 75 TYR C C 75 175.210 175.540 -0.330 1
1 958 . 11 1 1 A 75 75 TYR CA C 75 60.780 57.050 3.730 1
1 959 . 11 1 1 A 75 75 TYR CB C 75 36.110 41.929 -5.819 1
1 962 . 11 1 1 A 75 75 TYR N N 75 128.090 115.287 12.803 1
1 963 . 11 1 1 A 76 76 ASP H H 76 8.306 9.223 -0.917 1
1 964 . 11 1 1 A 76 76 ASP HA H 76 4.075 4.498 -0.423 1
1 967 . 11 1 1 A 76 76 ASP C C 76 175.390 175.323 0.067 1
1 968 . 11 1 1 A 76 76 ASP CA C 76 56.360 55.196 1.164 1
1 969 . 11 1 1 A 76 76 ASP CB C 76 40.510 39.713 0.797 1
1 970 . 11 1 1 A 76 76 ASP N N 76 107.370 120.926 -13.556 1
1 971 . 11 1 1 A 77 77 LYS H H 77 7.687 7.635 0.052 1
1 972 . 11 1 1 A 77 77 LYS HA H 77 5.020 4.804 0.216 1
1 981 . 11 1 1 A 77 77 LYS CA C 77 53.450 52.512 0.938 1
1 982 . 11 1 1 A 77 77 LYS CB C 77 34.800 34.598 0.202 1
1 986 . 11 1 1 A 77 77 LYS N N 77 118.880 119.478 -0.598 1
1 987 . 11 1 1 A 78 78 PRO HA H 78 4.240 4.658 -0.418 1
1 994 . 11 1 1 A 78 78 PRO C C 78 177.470 177.376 0.094 1
1 995 . 11 1 1 A 78 78 PRO CA C 78 62.310 63.172 -0.862 1
1 996 . 11 1 1 A 78 78 PRO CB C 78 31.690 31.838 -0.148 1
1 999 . 11 1 1 A 79 79 MET H H 79 8.696 8.557 0.139 1
1 1000 . 11 1 1 A 79 79 MET HA H 79 4.289 4.621 -0.332 1
1 1008 . 11 1 1 A 79 79 MET C C 79 175.960 176.141 -0.181 1
1 1009 . 11 1 1 A 79 79 MET CA C 79 58.600 56.576 2.024 1
1 1010 . 11 1 1 A 79 79 MET CB C 79 35.200 33.484 1.716 1
1 1013 . 11 1 1 A 79 79 MET N N 79 126.540 122.084 4.456 1
1 1014 . 11 1 1 A 80 80 GLN H H 80 7.779 8.549 -0.770 1
1 1015 . 11 1 1 A 80 80 GLN HA H 80 4.855 5.234 -0.379 1
1 1022 . 11 1 1 A 80 80 GLN C C 80 174.820 174.482 0.338 1
1 1023 . 11 1 1 A 80 80 GLN CA C 80 54.550 54.309 0.241 1
1 1024 . 11 1 1 A 80 80 GLN CB C 80 29.320 31.697 -2.377 1
1 1026 . 11 1 1 A 80 80 GLN N N 80 122.810 119.426 3.384 1
1 1028 . 11 1 1 A 81 81 ILE H H 81 9.682 9.066 0.616 1
1 1029 . 11 1 1 A 81 81 ILE HA H 81 5.010 5.086 -0.076 1
1 1039 . 11 1 1 A 81 81 ILE C C 81 174.710 174.454 0.256 1
1 1040 . 11 1 1 A 81 81 ILE CA C 81 60.900 59.930 0.970 1
1 1041 . 11 1 1 A 81 81 ILE CB C 81 40.120 42.503 -2.383 1
1 1045 . 11 1 1 A 81 81 ILE N N 81 126.070 123.332 2.738 1
1 1046 . 11 1 1 A 82 82 ALA H H 82 9.039 8.266 0.773 1
1 1047 . 11 1 1 A 82 82 ALA HA H 82 4.620 4.890 -0.270 1
1 1051 . 11 1 1 A 82 82 ALA C C 82 176.700 175.750 0.950 1
1 1052 . 11 1 1 A 82 82 ALA CA C 82 50.890 51.058 -0.168 1
1 1053 . 11 1 1 A 82 82 ALA CB C 82 23.420 23.109 0.311 1
1 1054 . 11 1 1 A 82 82 ALA N N 82 130.310 125.080 5.230 1
1 1055 . 11 1 1 A 83 83 TYR H H 83 8.411 8.376 0.035 1
1 1056 . 11 1 1 A 83 83 TYR HA H 83 4.905 4.807 0.098 1
1 1061 . 11 1 1 A 83 83 TYR C C 83 176.900 177.081 -0.181 1
1 1062 . 11 1 1 A 83 83 TYR CA C 83 59.280 57.459 1.821 1
1 1063 . 11 1 1 A 83 83 TYR CB C 83 39.350 39.685 -0.335 1
1 1065 . 11 1 1 A 83 83 TYR N N 83 118.580 119.834 -1.254 1
1 1066 . 11 1 1 A 84 84 SER H H 84 8.452 9.165 -0.713 1
1 1067 . 11 1 1 A 84 84 SER HA H 84 4.248 4.153 0.095 1
1 1070 . 11 1 1 A 84 84 SER C C 84 174.220 176.687 -2.467 1
1 1071 . 11 1 1 A 84 84 SER CA C 84 58.560 61.290 -2.730 1
1 1072 . 11 1 1 A 84 84 SER CB C 84 64.100 62.543 1.557 1
1 1073 . 11 1 1 A 84 84 SER N N 84 115.040 116.920 -1.880 1
1 1074 . 11 1 1 A 85 85 LYS H H 85 8.443 8.151 0.292 1
1 1075 . 11 1 1 A 85 85 LYS HA H 85 4.275 4.117 0.158 1
1 1080 . 11 1 1 A 85 85 LYS C C 85 177.080 179.085 -2.005 1
1 1081 . 11 1 1 A 85 85 LYS CA C 85 56.960 58.615 -1.655 1
1 1082 . 11 1 1 A 85 85 LYS CB C 85 33.150 32.363 0.787 1
1 1086 . 11 1 1 A 85 85 LYS N N 85 123.610 123.215 0.395 1
1 1087 . 11 1 1 A 86 86 SER H H 86 8.204 7.995 0.209 1
1 1088 . 11 1 1 A 86 86 SER HA H 86 4.335 4.383 -0.048 1
1 1090 . 11 1 1 A 86 86 SER C C 86 174.080 174.027 0.053 1
1 1091 . 11 1 1 A 86 86 SER CA C 86 58.400 60.904 -2.504 1
1 1092 . 11 1 1 A 86 86 SER CB C 86 63.750 62.776 0.974 1
1 1093 . 11 1 1 A 86 86 SER N N 86 115.780 113.719 2.061 1
1 1094 . 11 1 1 A 87 87 ASP H H 87 8.435 7.766 0.669 1
1 1095 . 11 1 1 A 87 87 ASP HA H 87 4.578 4.916 -0.338 1
1 1098 . 11 1 1 A 87 87 ASP C C 87 176.630 176.090 0.540 1
1 1099 . 11 1 1 A 87 87 ASP CA C 87 54.260 52.665 1.595 1
1 1100 . 11 1 1 A 87 87 ASP CB C 87 40.780 42.817 -2.037 1
1 1101 . 11 1 1 A 87 87 ASP N N 87 121.910 121.487 0.423 1
1 1102 . 11 1 1 A 88 88 SER H H 88 8.061 9.031 -0.970 1
1 1103 . 11 1 1 A 88 88 SER HA H 88 4.328 4.093 0.235 1
1 1106 . 11 1 1 A 88 88 SER C C 88 174.840 175.648 -0.808 1
1 1107 . 11 1 1 A 88 88 SER CA C 88 58.800 61.303 -2.503 1
1 1108 . 11 1 1 A 88 88 SER CB C 88 63.870 63.075 0.795 1
1 1109 . 11 1 1 A 88 88 SER N N 88 116.440 121.773 -5.333 1
1 1110 . 11 1 1 A 89 89 ASP H H 89 8.556 7.696 0.860 1
1 1111 . 11 1 1 A 89 89 ASP HA H 89 4.460 4.437 0.023 1
1 1114 . 11 1 1 A 89 89 ASP C C 89 177.450 178.128 -0.678 1
1 1115 . 11 1 1 A 89 89 ASP CA C 89 56.110 56.870 -0.760 1
1 1116 . 11 1 1 A 89 89 ASP CB C 89 40.500 41.020 -0.520 1
1 1117 . 11 1 1 A 89 89 ASP N N 89 123.080 120.460 2.620 1
1 1118 . 11 1 1 A 90 90 ILE H H 90 7.756 7.799 -0.043 1
1 1119 . 11 1 1 A 90 90 ILE HA H 90 3.829 3.664 0.165 1
1 1129 . 11 1 1 A 90 90 ILE C C 90 177.060 177.815 -0.755 1
1 1130 . 11 1 1 A 90 90 ILE CA C 90 63.070 64.320 -1.250 1
1 1131 . 11 1 1 A 90 90 ILE CB C 90 38.290 36.907 1.383 1
1 1135 . 11 1 1 A 90 90 ILE N N 90 119.250 118.091 1.159 1
1 1136 . 11 1 1 A 91 91 VAL H H 91 7.459 7.949 -0.490 1
1 1137 . 11 1 1 A 91 91 VAL HA H 91 3.613 3.426 0.187 1
1 1145 . 11 1 1 A 91 91 VAL C C 91 177.080 178.066 -0.986 1
1 1146 . 11 1 1 A 91 91 VAL CA C 91 65.250 66.467 -1.217 1
1 1147 . 11 1 1 A 91 91 VAL CB C 91 31.970 31.429 0.541 1
1 1150 . 11 1 1 A 91 91 VAL N N 91 121.040 121.732 -0.692 1
1 1151 . 11 1 1 A 92 92 ALA H H 92 8.076 8.044 0.032 1
1 1152 . 11 1 1 A 92 92 ALA HA H 92 4.098 3.903 0.195 1
1 1156 . 11 1 1 A 92 92 ALA C C 92 179.510 179.727 -0.217 1
1 1157 . 11 1 1 A 92 92 ALA CA C 92 54.180 55.661 -1.481 1
1 1158 . 11 1 1 A 92 92 ALA CB C 92 18.660 18.397 0.263 1
1 1159 . 11 1 1 A 92 92 ALA N N 92 122.880 121.844 1.036 1
1 1160 . 11 1 1 A 93 93 LYS H H 93 7.946 8.094 -0.148 1
1 1161 . 11 1 1 A 93 93 LYS HA H 93 4.136 4.059 0.077 1
1 1170 . 11 1 1 A 93 93 LYS C C 93 178.300 179.476 -1.176 1
1 1171 . 11 1 1 A 93 93 LYS CA C 93 58.000 59.550 -1.550 1
1 1172 . 11 1 1 A 93 93 LYS CB C 93 32.550 32.500 0.050 1
1 1176 . 11 1 1 A 93 93 LYS N N 93 118.800 117.509 1.291 1
1 1177 . 11 1 1 A 94 94 ILE H H 94 7.894 7.618 0.276 1
1 1178 . 11 1 1 A 94 94 ILE HA H 94 3.906 3.930 -0.024 1
1 1188 . 11 1 1 A 94 94 ILE C C 94 177.720 178.094 -0.374 1
1 1189 . 11 1 1 A 94 94 ILE CA C 94 63.200 62.915 0.285 1
1 1190 . 11 1 1 A 94 94 ILE CB C 94 38.330 36.982 1.348 1
1 1194 . 11 1 1 A 94 94 ILE N N 94 120.760 118.532 2.228 1
1 1195 . 11 1 1 A 95 95 LYS H H 95 8.310 7.890 0.420 1
1 1196 . 11 1 1 A 95 95 LYS HA H 95 4.083 4.022 0.061 1
1 1205 . 11 1 1 A 95 95 LYS C C 95 177.660 176.595 1.065 1
1 1206 . 11 1 1 A 95 95 LYS CA C 95 57.930 58.330 -0.400 1
1 1207 . 11 1 1 A 95 95 LYS CB C 95 32.860 32.820 0.040 1
1 1211 . 11 1 1 A 95 95 LYS N N 95 121.330 121.404 -0.074 1
1 1212 . 11 1 1 A 96 96 GLY H H 96 8.122 7.860 0.262 1
1 1213 . 11 1 1 A 96 96 GLY HA2 H 96 3.999 4.048 -0.049 1
1 1214 . 11 1 1 A 96 96 GLY HA3 H 96 3.999 4.066 -0.067 1
1 1215 . 11 1 1 A 96 96 GLY C C 96 174.640 173.515 1.125 1
1 1216 . 11 1 1 A 96 96 GLY CA C 96 45.660 45.453 0.207 1
1 1217 . 11 1 1 A 96 96 GLY N N 96 107.870 106.188 1.682 1
1 1218 . 11 1 1 A 97 97 THR H H 97 7.968 7.521 0.447 1
1 1219 . 11 1 1 A 97 97 THR HA H 97 4.294 4.608 -0.314 1
1 1224 . 11 1 1 A 97 97 THR C C 97 174.590 174.592 -0.002 1
1 1225 . 11 1 1 A 97 97 THR CA C 97 62.160 61.145 1.015 1
1 1226 . 11 1 1 A 97 97 THR CB C 97 69.630 71.820 -2.190 1
1 1228 . 11 1 1 A 97 97 THR N N 97 112.820 114.843 -2.023 1
1 1229 . 11 1 1 A 98 98 PHE H H 98 7.938 9.003 -1.065 1
1 1230 . 11 1 1 A 98 98 PHE HA H 98 4.552 4.221 0.331 1
1 1235 . 11 1 1 A 98 98 PHE C C 98 175.370 177.195 -1.825 1
1 1236 . 11 1 1 A 98 98 PHE CA C 98 58.150 60.683 -2.533 1
1 1237 . 11 1 1 A 98 98 PHE CB C 98 39.550 38.217 1.333 1
1 1239 . 11 1 1 A 98 98 PHE N N 98 122.400 124.509 -2.109 1
1 1240 . 11 1 1 A 99 99 LYS H H 99 7.986 7.431 0.555 1
1 1241 . 11 1 1 A 99 99 LYS HA H 99 4.242 3.980 0.262 1
1 1250 . 11 1 1 A 99 99 LYS C C 99 175.750 177.348 -1.598 1
1 1251 . 11 1 1 A 99 99 LYS CA C 99 56.030 59.497 -3.467 1
1 1252 . 11 1 1 A 99 99 LYS CB C 99 33.390 31.699 1.691 1
1 1256 . 11 1 1 A 99 99 LYS N N 99 123.810 120.307 3.503 1
1 1257 . 11 1 1 A 100 100 GLU H H 100 8.247 7.388 0.859 1
1 1258 . 11 1 1 A 100 100 GLU HA H 100 4.202 4.174 0.028 1
1 1263 . 11 1 1 A 100 100 GLU C C 100 176.210 176.150 0.060 1
1 1264 . 11 1 1 A 100 100 GLU CA C 100 56.270 56.198 0.072 1
1 1265 . 11 1 1 A 100 100 GLU CB C 100 30.550 30.381 0.169 1
1 1267 . 11 1 1 A 100 100 GLU N N 100 122.270 120.021 2.249 1
1 1268 . 11 1 1 A 101 101 ARG H H 101 8.415 8.323 0.092 1
1 1269 . 11 1 1 A 101 101 ARG HA H 101 4.590 4.400 0.190 1
1 1276 . 11 1 1 A 101 101 ARG CA C 101 53.980 54.161 -0.181 1
1 1277 . 11 1 1 A 101 101 ARG CB C 101 30.070 31.172 -1.102 1
1 1280 . 11 1 1 A 101 101 ARG N N 101 123.970 125.578 -1.608 1
1 1281 . 11 1 1 A 102 102 PRO HA H 102 4.421 4.275 0.146 1
1 1288 . 11 1 1 A 102 102 PRO C C 102 176.700 177.786 -1.086 1
1 1289 . 11 1 1 A 102 102 PRO CA C 102 63.090 65.185 -2.095 1
1 1290 . 11 1 1 A 102 102 PRO CB C 102 32.160 31.950 0.210 1
1 1293 . 11 1 1 A 103 103 LYS H H 103 8.445 8.299 0.146 1
1 1294 . 11 1 1 A 103 103 LYS HA H 103 4.294 4.402 -0.108 1
1 1303 . 11 1 1 A 103 103 LYS C C 103 175.690 176.761 -1.071 1
1 1304 . 11 1 1 A 103 103 LYS CA C 103 56.380 56.264 0.116 1
1 1305 . 11 1 1 A 103 103 LYS CB C 103 33.150 32.781 0.369 1
1 1309 . 11 1 1 A 103 103 LYS N N 103 122.480 116.358 6.122 1
1 1 . 12 1 1 A 2 2 GLU HA H 2 4.372 4.257 0.115 1
1 6 . 12 1 1 A 2 2 GLU C C 2 175.830 176.013 -0.183 1
1 7 . 12 1 1 A 2 2 GLU CA C 2 56.340 56.329 0.011 1
1 8 . 12 1 1 A 2 2 GLU CB C 2 30.550 29.857 0.693 1
1 10 . 12 1 1 A 3 3 MET H H 3 8.529 8.843 -0.314 1
1 11 . 12 1 1 A 3 3 MET HA H 3 4.534 4.478 0.056 1
1 19 . 12 1 1 A 3 3 MET C C 3 175.350 176.244 -0.894 1
1 20 . 12 1 1 A 3 3 MET CA C 3 54.950 55.246 -0.296 1
1 21 . 12 1 1 A 3 3 MET CB C 3 33.150 32.539 0.611 1
1 24 . 12 1 1 A 3 3 MET N N 3 122.340 121.424 0.916 1
1 25 . 12 1 1 A 4 4 LEU H H 4 8.265 7.995 0.270 1
1 26 . 12 1 1 A 4 4 LEU HA H 4 4.579 4.254 0.325 1
1 36 . 12 1 1 A 4 4 LEU CA C 4 52.620 53.471 -0.851 1
1 37 . 12 1 1 A 4 4 LEU CB C 4 41.780 41.530 0.250 1
1 41 . 12 1 1 A 4 4 LEU N N 4 125.280 124.979 0.301 1
1 42 . 12 1 1 A 5 5 PRO HA H 5 4.268 4.436 -0.168 1
1 49 . 12 1 1 A 5 5 PRO C C 5 175.390 175.299 0.091 1
1 50 . 12 1 1 A 5 5 PRO CA C 5 62.620 63.190 -0.570 1
1 51 . 12 1 1 A 5 5 PRO CB C 5 32.300 32.056 0.244 1
1 54 . 12 1 1 A 6 6 ASN H H 6 6.913 8.964 -2.051 1
1 55 . 12 1 1 A 6 6 ASN HA H 6 4.460 5.134 -0.674 1
1 60 . 12 1 1 A 6 6 ASN C C 6 172.390 174.699 -2.309 1
1 61 . 12 1 1 A 6 6 ASN CA C 6 52.920 52.489 0.431 1
1 62 . 12 1 1 A 6 6 ASN CB C 6 41.920 41.969 -0.049 1
1 63 . 12 1 1 A 6 6 ASN N N 6 117.610 120.701 -3.091 1
1 65 . 12 1 1 A 7 7 GLN H H 7 8.465 8.755 -0.290 1
1 66 . 12 1 1 A 7 7 GLN HA H 7 4.164 4.285 -0.121 1
1 73 . 12 1 1 A 7 7 GLN C C 7 175.020 175.081 -0.061 1
1 74 . 12 1 1 A 7 7 GLN CA C 7 58.100 57.122 0.978 1
1 75 . 12 1 1 A 7 7 GLN CB C 7 29.270 27.781 1.489 1
1 77 . 12 1 1 A 7 7 GLN N N 7 116.430 121.589 -5.159 1
1 79 . 12 1 1 A 8 8 THR H H 8 8.374 7.704 0.670 1
1 80 . 12 1 1 A 8 8 THR HA H 8 5.399 5.523 -0.124 1
1 85 . 12 1 1 A 8 8 THR C C 8 173.700 174.110 -0.410 1
1 86 . 12 1 1 A 8 8 THR CA C 8 62.380 61.290 1.090 1
1 87 . 12 1 1 A 8 8 THR CB C 8 69.100 72.878 -3.778 1
1 89 . 12 1 1 A 8 8 THR N N 8 118.220 115.166 3.054 1
1 90 . 12 1 1 A 9 9 ILE H H 9 8.794 9.196 -0.402 1
1 91 . 12 1 1 A 9 9 ILE HA H 9 5.085 5.448 -0.363 1
1 101 . 12 1 1 A 9 9 ILE C C 9 173.490 173.850 -0.360 1
1 102 . 12 1 1 A 9 9 ILE CA C 9 59.000 59.233 -0.233 1
1 103 . 12 1 1 A 9 9 ILE CB C 9 39.710 42.549 -2.839 1
1 107 . 12 1 1 A 9 9 ILE N N 9 118.250 120.345 -2.095 1
1 108 . 12 1 1 A 10 10 TYR H H 10 9.384 9.230 0.154 1
1 109 . 12 1 1 A 10 10 TYR HA H 10 5.032 5.115 -0.083 1
1 116 . 12 1 1 A 10 10 TYR C C 10 173.920 173.676 0.244 1
1 117 . 12 1 1 A 10 10 TYR CA C 10 55.240 55.732 -0.492 1
1 118 . 12 1 1 A 10 10 TYR CB C 10 40.700 41.653 -0.953 1
1 123 . 12 1 1 A 10 10 TYR N N 10 124.310 124.494 -0.184 1
1 124 . 12 1 1 A 11 11 ILE H H 11 9.000 9.124 -0.124 1
1 125 . 12 1 1 A 11 11 ILE HA H 11 4.629 4.298 0.331 1
1 135 . 12 1 1 A 11 11 ILE C C 11 180.280 175.320 4.960 1
1 136 . 12 1 1 A 11 11 ILE CA C 11 60.050 59.908 0.142 1
1 137 . 12 1 1 A 11 11 ILE CB C 11 40.350 38.429 1.921 1
1 141 . 12 1 1 A 11 11 ILE N N 11 126.640 127.885 -1.245 1
1 142 . 12 1 1 A 12 12 ASN H H 12 8.844 9.029 -0.185 1
1 143 . 12 1 1 A 12 12 ASN HA H 12 5.267 4.692 0.575 1
1 148 . 12 1 1 A 12 12 ASN C C 12 174.640 174.953 -0.313 1
1 149 . 12 1 1 A 12 12 ASN CA C 12 50.860 51.893 -1.033 1
1 150 . 12 1 1 A 12 12 ASN CB C 12 41.400 39.321 2.079 1
1 151 . 12 1 1 A 12 12 ASN N N 12 123.520 126.060 -2.540 1
1 153 . 12 1 1 A 13 13 ASN H H 13 8.689 7.778 0.911 1
1 154 . 12 1 1 A 13 13 ASN HA H 13 4.456 4.934 -0.478 1
1 159 . 12 1 1 A 13 13 ASN C C 13 176.140 173.699 2.441 1
1 160 . 12 1 1 A 13 13 ASN CA C 13 53.920 52.000 1.920 1
1 161 . 12 1 1 A 13 13 ASN CB C 13 39.360 39.134 0.226 1
1 162 . 12 1 1 A 13 13 ASN N N 13 115.910 118.455 -2.545 1
1 164 . 12 1 1 A 14 14 LEU H H 14 8.221 7.903 0.318 1
1 165 . 12 1 1 A 14 14 LEU HA H 14 4.350 4.308 0.042 1
1 175 . 12 1 1 A 14 14 LEU C C 14 177.880 176.030 1.850 1
1 176 . 12 1 1 A 14 14 LEU CA C 14 54.000 55.115 -1.115 1
1 177 . 12 1 1 A 14 14 LEU CB C 14 42.830 43.120 -0.290 1
1 181 . 12 1 1 A 14 14 LEU N N 14 116.310 124.812 -8.502 1
1 182 . 12 1 1 A 15 15 ASN H H 15 9.226 8.706 0.520 1
1 183 . 12 1 1 A 15 15 ASN HA H 15 4.225 4.894 -0.669 1
1 188 . 12 1 1 A 15 15 ASN C C 15 176.150 176.081 0.069 1
1 189 . 12 1 1 A 15 15 ASN CA C 15 54.210 52.192 2.018 1
1 190 . 12 1 1 A 15 15 ASN CB C 15 38.050 38.600 -0.550 1
1 191 . 12 1 1 A 15 15 ASN N N 15 120.300 123.454 -3.154 1
1 193 . 12 1 1 A 16 16 GLU H H 16 9.234 8.892 0.342 1
1 194 . 12 1 1 A 16 16 GLU HA H 16 4.110 4.204 -0.094 1
1 199 . 12 1 1 A 16 16 GLU C C 16 176.510 178.039 -1.529 1
1 200 . 12 1 1 A 16 16 GLU CA C 16 57.800 59.253 -1.453 1
1 201 . 12 1 1 A 16 16 GLU CB C 16 29.300 29.319 -0.019 1
1 203 . 12 1 1 A 16 16 GLU N N 16 128.160 125.997 2.163 1
1 204 . 12 1 1 A 17 17 LYS H H 17 8.421 8.025 0.396 1
1 205 . 12 1 1 A 17 17 LYS HA H 17 4.170 4.118 0.052 1
1 214 . 12 1 1 A 17 17 LYS C C 17 176.700 176.893 -0.193 1
1 215 . 12 1 1 A 17 17 LYS CA C 17 56.750 58.769 -2.019 1
1 216 . 12 1 1 A 17 17 LYS CB C 17 32.370 31.951 0.419 1
1 220 . 12 1 1 A 17 17 LYS N N 17 118.450 117.677 0.773 1
1 221 . 12 1 1 A 18 18 ILE H H 18 6.751 7.293 -0.542 1
1 222 . 12 1 1 A 18 18 ILE HA H 18 3.830 3.811 0.019 1
1 232 . 12 1 1 A 18 18 ILE C C 18 176.560 176.350 0.210 1
1 233 . 12 1 1 A 18 18 ILE CA C 18 58.640 61.995 -3.355 1
1 234 . 12 1 1 A 18 18 ILE CB C 18 35.940 37.895 -1.955 1
1 238 . 12 1 1 A 18 18 ILE N N 18 118.790 122.334 -3.544 1
1 239 . 12 1 1 A 19 19 LYS H H 19 8.815 8.679 0.136 1
1 240 . 12 1 1 A 19 19 LYS HA H 19 4.189 4.242 -0.053 1
1 249 . 12 1 1 A 19 19 LYS C C 19 178.340 178.157 0.183 1
1 250 . 12 1 1 A 19 19 LYS CA C 19 57.250 56.773 0.477 1
1 251 . 12 1 1 A 19 19 LYS CB C 19 32.800 33.121 -0.321 1
1 255 . 12 1 1 A 19 19 LYS N N 19 129.030 125.840 3.190 1
1 256 . 12 1 1 A 20 20 LYS H H 20 9.032 8.884 0.148 1
1 257 . 12 1 1 A 20 20 LYS HA H 20 3.854 3.955 -0.101 1
1 266 . 12 1 1 A 20 20 LYS C C 20 178.390 179.035 -0.645 1
1 267 . 12 1 1 A 20 20 LYS CA C 20 59.740 59.774 -0.034 1
1 268 . 12 1 1 A 20 20 LYS CB C 20 31.390 32.121 -0.731 1
1 272 . 12 1 1 A 20 20 LYS N N 20 123.440 122.662 0.778 1
1 273 . 12 1 1 A 21 21 GLU H H 21 9.341 8.142 1.199 1
1 274 . 12 1 1 A 21 21 GLU HA H 21 4.074 4.079 -0.005 1
1 279 . 12 1 1 A 21 21 GLU C C 21 179.120 179.274 -0.154 1
1 280 . 12 1 1 A 21 21 GLU CA C 21 60.270 59.309 0.961 1
1 281 . 12 1 1 A 21 21 GLU CB C 21 28.840 29.092 -0.252 1
1 283 . 12 1 1 A 21 21 GLU N N 21 117.890 119.796 -1.906 1
1 284 . 12 1 1 A 22 22 GLU H H 22 6.994 8.248 -1.254 1
1 285 . 12 1 1 A 22 22 GLU HA H 22 4.166 4.083 0.083 1
1 290 . 12 1 1 A 22 22 GLU C C 22 178.200 179.108 -0.908 1
1 291 . 12 1 1 A 22 22 GLU CA C 22 58.530 59.079 -0.549 1
1 292 . 12 1 1 A 22 22 GLU CB C 22 29.180 29.743 -0.563 1
1 294 . 12 1 1 A 22 22 GLU N N 22 119.810 120.186 -0.376 1
1 295 . 12 1 1 A 23 23 LEU H H 23 8.462 8.520 -0.058 1
1 296 . 12 1 1 A 23 23 LEU HA H 23 3.981 4.238 -0.257 1
1 306 . 12 1 1 A 23 23 LEU C C 23 178.780 178.684 0.096 1
1 307 . 12 1 1 A 23 23 LEU CA C 23 58.840 58.272 0.568 1
1 308 . 12 1 1 A 23 23 LEU CB C 23 42.420 41.805 0.615 1
1 312 . 12 1 1 A 23 23 LEU N N 23 121.220 121.540 -0.320 1
1 313 . 12 1 1 A 24 24 LYS H H 24 8.411 8.332 0.079 1
1 314 . 12 1 1 A 24 24 LYS HA H 24 3.808 3.888 -0.080 1
1 323 . 12 1 1 A 24 24 LYS C C 24 178.200 179.023 -0.823 1
1 324 . 12 1 1 A 24 24 LYS CA C 24 61.500 60.378 1.122 1
1 325 . 12 1 1 A 24 24 LYS CB C 24 32.500 32.340 0.160 1
1 329 . 12 1 1 A 24 24 LYS N N 24 116.620 118.854 -2.234 1
1 330 . 12 1 1 A 25 25 LYS H H 25 7.592 8.002 -0.410 1
1 331 . 12 1 1 A 25 25 LYS HA H 25 4.181 4.130 0.051 1
1 340 . 12 1 1 A 25 25 LYS C C 25 180.280 179.136 1.144 1
1 341 . 12 1 1 A 25 25 LYS CA C 25 60.140 59.352 0.788 1
1 342 . 12 1 1 A 25 25 LYS CB C 25 32.690 32.301 0.389 1
1 346 . 12 1 1 A 25 25 LYS N N 25 118.830 120.283 -1.453 1
1 347 . 12 1 1 A 26 26 SER H H 26 8.845 8.533 0.312 1
1 348 . 12 1 1 A 26 26 SER HA H 26 4.570 4.236 0.334 1
1 351 . 12 1 1 A 26 26 SER C C 26 176.880 176.228 0.652 1
1 352 . 12 1 1 A 26 26 SER CA C 26 62.210 62.522 -0.312 1
1 353 . 12 1 1 A 26 26 SER CB C 26 63.320 63.296 0.024 1
1 354 . 12 1 1 A 26 26 SER N N 26 117.880 117.309 0.571 1
1 355 . 12 1 1 A 27 27 LEU H H 27 9.040 8.540 0.500 1
1 356 . 12 1 1 A 27 27 LEU HA H 27 4.190 4.071 0.119 1
1 366 . 12 1 1 A 27 27 LEU C C 27 179.100 178.886 0.214 1
1 367 . 12 1 1 A 27 27 LEU CA C 27 57.960 57.800 0.160 1
1 368 . 12 1 1 A 27 27 LEU CB C 27 43.030 41.798 1.232 1
1 372 . 12 1 1 A 27 27 LEU N N 27 122.840 121.176 1.664 1
1 373 . 12 1 1 A 28 28 TYR H H 28 8.535 8.596 -0.061 1
1 374 . 12 1 1 A 28 28 TYR HA H 28 3.826 4.080 -0.254 1
1 379 . 12 1 1 A 28 28 TYR C C 28 178.360 178.241 0.119 1
1 380 . 12 1 1 A 28 28 TYR CA C 28 63.220 61.847 1.373 1
1 381 . 12 1 1 A 28 28 TYR CB C 28 38.320 38.800 -0.480 1
1 384 . 12 1 1 A 28 28 TYR N N 28 121.030 119.472 1.558 1
1 385 . 12 1 1 A 29 29 ALA H H 29 8.009 8.118 -0.109 1
1 386 . 12 1 1 A 29 29 ALA HA H 29 3.364 4.197 -0.833 1
1 390 . 12 1 1 A 29 29 ALA CA C 29 55.420 54.911 0.509 1
1 391 . 12 1 1 A 29 29 ALA CB C 29 18.920 18.970 -0.050 1
1 392 . 12 1 1 A 29 29 ALA N N 29 120.570 121.591 -1.021 1
1 393 . 12 1 1 A 30 30 ILE HA H 30 4.048 4.337 -0.289 1
1 403 . 12 1 1 A 30 30 ILE C C 30 177.270 177.795 -0.525 1
1 404 . 12 1 1 A 30 30 ILE CA C 30 63.380 62.057 1.323 1
1 405 . 12 1 1 A 30 30 ILE CB C 30 38.850 39.324 -0.474 1
1 409 . 12 1 1 A 31 31 PHE H H 31 8.446 8.512 -0.066 1
1 410 . 12 1 1 A 31 31 PHE HA H 31 4.900 4.515 0.385 1
1 415 . 12 1 1 A 31 31 PHE C C 31 177.820 178.739 -0.919 1
1 416 . 12 1 1 A 31 31 PHE CA C 31 62.380 60.148 2.232 1
1 417 . 12 1 1 A 31 31 PHE CB C 31 38.900 37.918 0.982 1
1 418 . 12 1 1 A 31 31 PHE N N 31 115.770 121.530 -5.760 1
1 419 . 12 1 1 A 32 32 SER H H 32 8.392 8.083 0.309 1
1 420 . 12 1 1 A 32 32 SER HA H 32 4.365 4.569 -0.204 1
1 423 . 12 1 1 A 32 32 SER C C 32 176.140 175.834 0.306 1
1 424 . 12 1 1 A 32 32 SER CA C 32 61.680 61.760 -0.080 1
1 425 . 12 1 1 A 32 32 SER CB C 32 62.460 62.945 -0.485 1
1 426 . 12 1 1 A 32 32 SER N N 32 116.890 115.588 1.302 1
1 427 . 12 1 1 A 33 33 GLN H H 33 7.310 7.757 -0.447 1
1 428 . 12 1 1 A 33 33 GLN HA H 33 4.059 3.942 0.117 1
1 435 . 12 1 1 A 33 33 GLN C C 33 176.330 176.320 0.010 1
1 436 . 12 1 1 A 33 33 GLN CA C 33 57.220 57.562 -0.342 1
1 437 . 12 1 1 A 33 33 GLN CB C 33 28.040 28.392 -0.352 1
1 439 . 12 1 1 A 33 33 GLN N N 33 117.530 119.656 -2.126 1
1 441 . 12 1 1 A 34 34 PHE H H 34 7.626 7.829 -0.203 1
1 442 . 12 1 1 A 34 34 PHE HA H 34 4.435 4.686 -0.251 1
1 447 . 12 1 1 A 34 34 PHE C C 34 175.590 176.042 -0.452 1
1 448 . 12 1 1 A 34 34 PHE CA C 34 59.410 58.733 0.677 1
1 449 . 12 1 1 A 34 34 PHE CB C 34 39.380 41.304 -1.924 1
1 452 . 12 1 1 A 34 34 PHE N N 34 116.090 114.761 1.329 1
1 453 . 12 1 1 A 35 35 GLY H H 35 7.595 7.799 -0.204 1
1 454 . 12 1 1 A 35 35 GLY HA2 H 35 3.960 4.170 -0.210 1
1 455 . 12 1 1 A 35 35 GLY HA3 H 35 4.612 4.203 0.409 1
1 456 . 12 1 1 A 35 35 GLY C C 35 170.890 173.265 -2.375 1
1 457 . 12 1 1 A 35 35 GLY CA C 35 44.160 45.524 -1.364 1
1 458 . 12 1 1 A 35 35 GLY N N 35 107.470 104.210 3.260 1
1 459 . 12 1 1 A 36 36 GLN H H 36 8.404 8.636 -0.232 1
1 460 . 12 1 1 A 36 36 GLN HA H 36 4.275 4.246 0.029 1
1 467 . 12 1 1 A 36 36 GLN C C 36 176.650 176.044 0.606 1
1 468 . 12 1 1 A 36 36 GLN CA C 36 57.180 56.684 0.496 1
1 469 . 12 1 1 A 36 36 GLN CB C 36 29.360 29.250 0.110 1
1 471 . 12 1 1 A 36 36 GLN N N 36 116.620 124.853 -8.233 1
1 473 . 12 1 1 A 37 37 ILE H H 37 9.009 8.702 0.307 1
1 474 . 12 1 1 A 37 37 ILE HA H 37 4.068 3.748 0.320 1
1 484 . 12 1 1 A 37 37 ILE C C 37 176.530 175.889 0.641 1
1 485 . 12 1 1 A 37 37 ILE CA C 37 61.270 62.342 -1.072 1
1 486 . 12 1 1 A 37 37 ILE CB C 37 40.600 38.110 2.490 1
1 490 . 12 1 1 A 37 37 ILE N N 37 129.370 128.303 1.067 1
1 491 . 12 1 1 A 38 38 LEU H H 38 9.472 9.381 0.091 1
1 492 . 12 1 1 A 38 38 LEU HA H 38 4.291 4.557 -0.266 1
1 502 . 12 1 1 A 38 38 LEU C C 38 176.900 175.364 1.536 1
1 503 . 12 1 1 A 38 38 LEU CA C 38 56.520 55.861 0.659 1
1 504 . 12 1 1 A 38 38 LEU CB C 38 42.030 45.085 -3.055 1
1 508 . 12 1 1 A 38 38 LEU N N 38 128.180 128.591 -0.411 1
1 509 . 12 1 1 A 39 39 ASP H H 39 7.493 7.733 -0.240 1
1 510 . 12 1 1 A 39 39 ASP HA H 39 4.715 4.994 -0.279 1
1 513 . 12 1 1 A 39 39 ASP C C 39 173.560 173.724 -0.164 1
1 514 . 12 1 1 A 39 39 ASP CA C 39 53.510 53.338 0.172 1
1 515 . 12 1 1 A 39 39 ASP CB C 39 44.160 44.100 0.060 1
1 516 . 12 1 1 A 39 39 ASP N N 39 114.640 117.323 -2.683 1
1 517 . 12 1 1 A 40 40 ILE H H 40 8.537 8.539 -0.002 1
1 518 . 12 1 1 A 40 40 ILE HA H 40 4.722 4.795 -0.073 1
1 528 . 12 1 1 A 40 40 ILE C C 40 174.090 174.795 -0.705 1
1 529 . 12 1 1 A 40 40 ILE CA C 40 61.060 60.095 0.965 1
1 530 . 12 1 1 A 40 40 ILE CB C 40 41.220 42.067 -0.847 1
1 534 . 12 1 1 A 40 40 ILE N N 40 119.670 122.098 -2.428 1
1 535 . 12 1 1 A 41 41 VAL H H 41 8.807 8.830 -0.023 1
1 536 . 12 1 1 A 41 41 VAL HA H 41 4.195 4.684 -0.489 1
1 544 . 12 1 1 A 41 41 VAL C C 41 174.470 174.586 -0.116 1
1 545 . 12 1 1 A 41 41 VAL CA C 41 61.020 61.879 -0.859 1
1 546 . 12 1 1 A 41 41 VAL CB C 41 34.160 33.734 0.426 1
1 549 . 12 1 1 A 41 41 VAL N N 41 127.000 126.801 0.199 1
1 550 . 12 1 1 A 42 42 ALA H H 42 8.708 8.932 -0.224 1
1 551 . 12 1 1 A 42 42 ALA HA H 42 4.796 5.281 -0.485 1
1 555 . 12 1 1 A 42 42 ALA C C 42 175.210 175.445 -0.235 1
1 556 . 12 1 1 A 42 42 ALA CA C 42 51.430 50.449 0.981 1
1 557 . 12 1 1 A 42 42 ALA CB C 42 19.780 23.598 -3.818 1
1 558 . 12 1 1 A 42 42 ALA N N 42 130.100 128.872 1.228 1
1 559 . 12 1 1 A 43 43 LEU H H 43 8.224 8.928 -0.704 1
1 560 . 12 1 1 A 43 43 LEU HA H 43 4.575 4.920 -0.345 1
1 570 . 12 1 1 A 43 43 LEU CA C 43 54.620 53.498 1.122 1
1 571 . 12 1 1 A 43 43 LEU CB C 43 43.640 46.214 -2.574 1
1 575 . 12 1 1 A 43 43 LEU N N 43 122.270 120.525 1.745 1
1 576 . 12 1 1 A 44 44 LYS HA H 44 4.570 4.163 0.407 1
1 585 . 12 1 1 A 44 44 LYS CA C 44 56.000 58.535 -2.535 1
1 586 . 12 1 1 A 44 44 LYS CB C 44 32.940 32.454 0.486 1
1 590 . 12 1 1 A 45 45 THR H H 45 7.706 7.507 0.199 1
1 591 . 12 1 1 A 45 45 THR HA H 45 4.494 4.202 0.292 1
1 596 . 12 1 1 A 45 45 THR CA C 45 60.500 62.009 -1.509 1
1 597 . 12 1 1 A 45 45 THR CB C 45 70.450 69.775 0.675 1
1 599 . 12 1 1 A 45 45 THR N N 45 113.650 111.894 1.756 1
1 600 . 12 1 1 A 46 46 LEU HA H 46 4.142 4.025 0.117 1
1 610 . 12 1 1 A 46 46 LEU C C 46 179.030 178.424 0.606 1
1 611 . 12 1 1 A 46 46 LEU CA C 46 57.630 58.733 -1.103 1
1 612 . 12 1 1 A 46 46 LEU CB C 46 42.020 41.487 0.533 1
1 616 . 12 1 1 A 47 47 LYS H H 47 8.325 8.775 -0.450 1
1 617 . 12 1 1 A 47 47 LYS HA H 47 4.139 4.206 -0.067 1
1 626 . 12 1 1 A 47 47 LYS C C 47 176.700 177.034 -0.334 1
1 627 . 12 1 1 A 47 47 LYS CA C 47 57.800 58.407 -0.607 1
1 628 . 12 1 1 A 47 47 LYS CB C 47 32.440 31.466 0.974 1
1 632 . 12 1 1 A 47 47 LYS N N 47 116.870 116.781 0.089 1
1 633 . 12 1 1 A 48 48 MET H H 48 7.649 7.894 -0.245 1
1 634 . 12 1 1 A 48 48 MET HA H 48 4.581 4.833 -0.252 1
1 642 . 12 1 1 A 48 48 MET C C 48 175.550 176.938 -1.388 1
1 643 . 12 1 1 A 48 48 MET CA C 48 54.970 55.220 -0.250 1
1 644 . 12 1 1 A 48 48 MET CB C 48 32.770 34.070 -1.300 1
1 647 . 12 1 1 A 48 48 MET N N 48 116.090 117.709 -1.619 1
1 648 . 12 1 1 A 49 49 ARG H H 49 7.653 7.915 -0.262 1
1 649 . 12 1 1 A 49 49 ARG HA H 49 4.377 4.276 0.101 1
1 656 . 12 1 1 A 49 49 ARG C C 49 177.450 177.799 -0.349 1
1 657 . 12 1 1 A 49 49 ARG CA C 49 57.250 58.365 -1.115 1
1 658 . 12 1 1 A 49 49 ARG CB C 49 30.400 31.036 -0.636 1
1 661 . 12 1 1 A 49 49 ARG N N 49 119.580 121.619 -2.039 1
1 662 . 12 1 1 A 50 50 GLY H H 50 9.177 7.895 1.282 1
1 663 . 12 1 1 A 50 50 GLY HA2 H 50 3.960 4.030 -0.070 1
1 664 . 12 1 1 A 50 50 GLY HA3 H 50 4.107 4.038 0.069 1
1 665 . 12 1 1 A 50 50 GLY C C 50 172.960 173.627 -0.667 1
1 666 . 12 1 1 A 50 50 GLY CA C 50 46.140 45.401 0.739 1
1 667 . 12 1 1 A 50 50 GLY N N 50 111.640 105.982 5.658 1
1 668 . 12 1 1 A 51 51 GLN H H 51 7.853 7.737 0.116 1
1 669 . 12 1 1 A 51 51 GLN HA H 51 5.516 4.855 0.661 1
1 675 . 12 1 1 A 51 51 GLN C C 51 174.800 173.785 1.015 1
1 676 . 12 1 1 A 51 51 GLN CA C 51 54.160 54.155 0.005 1
1 677 . 12 1 1 A 51 51 GLN CB C 51 34.330 32.448 1.882 1
1 679 . 12 1 1 A 51 51 GLN N N 51 117.000 116.862 0.138 1
1 681 . 12 1 1 A 52 52 ALA H H 52 8.765 8.354 0.411 1
1 682 . 12 1 1 A 52 52 ALA HA H 52 5.098 5.117 -0.019 1
1 686 . 12 1 1 A 52 52 ALA C C 52 174.820 175.939 -1.119 1
1 687 . 12 1 1 A 52 52 ALA CA C 52 51.170 51.233 -0.063 1
1 688 . 12 1 1 A 52 52 ALA CB C 52 23.350 23.186 0.164 1
1 689 . 12 1 1 A 52 52 ALA N N 52 121.050 121.078 -0.028 1
1 690 . 12 1 1 A 53 53 PHE H H 53 8.840 9.025 -0.185 1
1 691 . 12 1 1 A 53 53 PHE HA H 53 5.615 5.705 -0.090 1
1 696 . 12 1 1 A 53 53 PHE C C 53 174.870 175.202 -0.332 1
1 697 . 12 1 1 A 53 53 PHE CA C 53 55.770 56.675 -0.905 1
1 698 . 12 1 1 A 53 53 PHE CB C 53 41.530 41.919 -0.389 1
1 701 . 12 1 1 A 53 53 PHE N N 53 115.860 118.603 -2.743 1
1 702 . 12 1 1 A 54 54 VAL H H 54 8.766 8.978 -0.212 1
1 703 . 12 1 1 A 54 54 VAL HA H 54 4.169 4.856 -0.687 1
1 711 . 12 1 1 A 54 54 VAL C C 54 173.330 174.143 -0.813 1
1 712 . 12 1 1 A 54 54 VAL CA C 54 61.920 59.652 2.268 1
1 713 . 12 1 1 A 54 54 VAL CB C 54 32.860 35.953 -3.093 1
1 716 . 12 1 1 A 54 54 VAL N N 54 121.920 116.139 5.781 1
1 717 . 12 1 1 A 55 55 ILE H H 55 8.319 8.873 -0.554 1
1 718 . 12 1 1 A 55 55 ILE HA H 55 4.512 5.364 -0.852 1
1 728 . 12 1 1 A 55 55 ILE C C 55 173.920 174.750 -0.830 1
1 729 . 12 1 1 A 55 55 ILE CA C 55 60.880 59.782 1.098 1
1 730 . 12 1 1 A 55 55 ILE CB C 55 39.130 40.669 -1.539 1
1 734 . 12 1 1 A 55 55 ILE N N 55 126.350 123.739 2.611 1
1 735 . 12 1 1 A 56 56 PHE H H 56 9.009 9.098 -0.089 1
1 736 . 12 1 1 A 56 56 PHE HA H 56 4.889 4.938 -0.049 1
1 741 . 12 1 1 A 56 56 PHE C C 56 175.180 176.504 -1.324 1
1 742 . 12 1 1 A 56 56 PHE CA C 56 59.030 56.689 2.341 1
1 743 . 12 1 1 A 56 56 PHE CB C 56 40.320 43.680 -3.360 1
1 744 . 12 1 1 A 56 56 PHE N N 56 126.440 124.759 1.681 1
1 745 . 12 1 1 A 57 57 LYS H H 57 8.191 8.670 -0.479 1
1 746 . 12 1 1 A 57 57 LYS HA H 57 3.969 4.212 -0.243 1
1 755 . 12 1 1 A 57 57 LYS C C 57 176.140 176.243 -0.103 1
1 756 . 12 1 1 A 57 57 LYS CA C 57 59.290 58.948 0.342 1
1 757 . 12 1 1 A 57 57 LYS CB C 57 33.850 32.271 1.579 1
1 761 . 12 1 1 A 57 57 LYS N N 57 119.130 120.941 -1.811 1
1 762 . 12 1 1 A 58 58 GLU H H 58 8.614 8.053 0.561 1
1 763 . 12 1 1 A 58 58 GLU HA H 58 4.850 4.827 0.023 1
1 768 . 12 1 1 A 58 58 GLU C C 58 177.130 176.725 0.405 1
1 769 . 12 1 1 A 58 58 GLU CA C 58 54.130 54.898 -0.768 1
1 770 . 12 1 1 A 58 58 GLU CB C 58 32.230 33.941 -1.711 1
1 772 . 12 1 1 A 58 58 GLU N N 58 114.350 118.470 -4.120 1
1 773 . 12 1 1 A 59 59 ILE H H 59 8.825 8.672 0.153 1
1 774 . 12 1 1 A 59 59 ILE HA H 59 3.499 3.817 -0.318 1
1 784 . 12 1 1 A 59 59 ILE C C 59 177.650 178.150 -0.500 1
1 785 . 12 1 1 A 59 59 ILE CA C 59 65.660 64.291 1.369 1
1 786 . 12 1 1 A 59 59 ILE CB C 59 38.040 37.730 0.310 1
1 790 . 12 1 1 A 59 59 ILE N N 59 122.940 122.514 0.426 1
1 791 . 12 1 1 A 60 60 GLY H H 60 8.875 8.353 0.522 1
1 792 . 12 1 1 A 60 60 GLY HA2 H 60 3.780 3.778 0.002 1
1 793 . 12 1 1 A 60 60 GLY HA3 H 60 3.925 3.794 0.131 1
1 794 . 12 1 1 A 60 60 GLY C C 60 176.700 176.540 0.160 1
1 795 . 12 1 1 A 60 60 GLY CA C 60 47.070 47.527 -0.457 1
1 796 . 12 1 1 A 60 60 GLY N N 60 106.980 110.491 -3.511 1
1 797 . 12 1 1 A 61 61 SER H H 61 6.973 8.015 -1.042 1
1 798 . 12 1 1 A 61 61 SER HA H 61 4.141 4.256 -0.115 1
1 801 . 12 1 1 A 61 61 SER C C 61 174.060 176.095 -2.035 1
1 802 . 12 1 1 A 61 61 SER CA C 61 61.870 62.520 -0.650 1
1 803 . 12 1 1 A 61 61 SER CB C 61 63.150 62.837 0.313 1
1 804 . 12 1 1 A 61 61 SER N N 61 116.200 119.324 -3.124 1
1 805 . 12 1 1 A 62 62 ALA H H 62 6.786 8.092 -1.306 1
1 806 . 12 1 1 A 62 62 ALA HA H 62 3.370 2.513 0.857 1
1 810 . 12 1 1 A 62 62 ALA C C 62 178.960 179.338 -0.378 1
1 811 . 12 1 1 A 62 62 ALA CA C 62 55.370 54.658 0.712 1
1 812 . 12 1 1 A 62 62 ALA CB C 62 19.030 18.200 0.830 1
1 813 . 12 1 1 A 62 62 ALA N N 62 123.660 123.657 0.003 1
1 814 . 12 1 1 A 63 63 SER H H 63 8.379 8.279 0.100 1
1 815 . 12 1 1 A 63 63 SER HA H 63 4.551 4.144 0.407 1
1 818 . 12 1 1 A 63 63 SER C C 63 177.040 176.571 0.469 1
1 819 . 12 1 1 A 63 63 SER CA C 63 61.000 61.392 -0.392 1
1 820 . 12 1 1 A 63 63 SER CB C 63 63.090 62.341 0.749 1
1 821 . 12 1 1 A 63 63 SER N N 63 111.560 113.098 -1.538 1
1 822 . 12 1 1 A 64 64 ASN H H 64 7.737 8.359 -0.622 1
1 823 . 12 1 1 A 64 64 ASN HA H 64 4.434 4.399 0.035 1
1 828 . 12 1 1 A 64 64 ASN C C 64 177.490 177.245 0.245 1
1 829 . 12 1 1 A 64 64 ASN CA C 64 55.410 56.414 -1.004 1
1 830 . 12 1 1 A 64 64 ASN CB C 64 37.930 38.739 -0.809 1
1 831 . 12 1 1 A 64 64 ASN N N 64 120.200 120.087 0.113 1
1 833 . 12 1 1 A 65 65 ALA H H 65 8.085 7.966 0.119 1
1 834 . 12 1 1 A 65 65 ALA HA H 65 4.864 4.049 0.815 1
1 838 . 12 1 1 A 65 65 ALA C C 65 178.180 179.388 -1.208 1
1 839 . 12 1 1 A 65 65 ALA CA C 65 54.700 55.062 -0.362 1
1 840 . 12 1 1 A 65 65 ALA CB C 65 19.950 18.378 1.572 1
1 841 . 12 1 1 A 65 65 ALA N N 65 125.150 121.795 3.355 1
1 842 . 12 1 1 A 66 66 LEU H H 66 8.083 8.056 0.027 1
1 843 . 12 1 1 A 66 66 LEU HA H 66 3.560 4.103 -0.543 1
1 853 . 12 1 1 A 66 66 LEU C C 66 177.650 178.298 -0.648 1
1 854 . 12 1 1 A 66 66 LEU CA C 66 59.540 58.512 1.028 1
1 855 . 12 1 1 A 66 66 LEU CB C 66 42.020 41.658 0.362 1
1 859 . 12 1 1 A 66 66 LEU N N 66 118.670 119.626 -0.956 1
1 860 . 12 1 1 A 67 67 ARG H H 67 7.620 8.506 -0.886 1
1 861 . 12 1 1 A 67 67 ARG HA H 67 3.939 3.955 -0.016 1
1 868 . 12 1 1 A 67 67 ARG C C 67 178.960 178.982 -0.022 1
1 869 . 12 1 1 A 67 67 ARG CA C 67 58.860 59.637 -0.777 1
1 870 . 12 1 1 A 67 67 ARG CB C 67 30.570 29.803 0.767 1
1 873 . 12 1 1 A 67 67 ARG N N 67 114.570 117.805 -3.235 1
1 874 . 12 1 1 A 68 68 THR H H 68 7.850 8.029 -0.179 1
1 875 . 12 1 1 A 68 68 THR HA H 68 4.040 3.708 0.332 1
1 880 . 12 1 1 A 68 68 THR C C 68 175.960 175.506 0.454 1
1 881 . 12 1 1 A 68 68 THR CA C 68 66.160 66.516 -0.356 1
1 882 . 12 1 1 A 68 68 THR CB C 68 69.260 67.884 1.376 1
1 884 . 12 1 1 A 68 68 THR N N 68 112.630 118.340 -5.710 1
1 885 . 12 1 1 A 69 69 MET H H 69 7.934 7.867 0.067 1
1 886 . 12 1 1 A 69 69 MET HA H 69 4.734 4.296 0.438 1
1 894 . 12 1 1 A 69 69 MET C C 69 175.820 175.928 -0.108 1
1 895 . 12 1 1 A 69 69 MET CA C 69 53.560 54.848 -1.288 1
1 896 . 12 1 1 A 69 69 MET CB C 69 29.730 31.648 -1.918 1
1 899 . 12 1 1 A 69 69 MET N N 69 115.080 116.299 -1.219 1
1 900 . 12 1 1 A 70 70 GLN H H 70 7.003 7.698 -0.695 1
1 901 . 12 1 1 A 70 70 GLN HA H 70 4.043 3.956 0.087 1
1 908 . 12 1 1 A 70 70 GLN C C 70 178.020 177.287 0.733 1
1 909 . 12 1 1 A 70 70 GLN CA C 70 57.710 58.042 -0.332 1
1 910 . 12 1 1 A 70 70 GLN CB C 70 30.080 28.268 1.812 1
1 912 . 12 1 1 A 70 70 GLN N N 70 120.730 120.309 0.421 1
1 914 . 12 1 1 A 71 71 GLY H H 71 8.693 8.856 -0.163 1
1 915 . 12 1 1 A 71 71 GLY HA2 H 71 4.230 3.888 0.342 1
1 916 . 12 1 1 A 71 71 GLY HA3 H 71 3.817 3.895 -0.078 1
1 917 . 12 1 1 A 71 71 GLY C C 71 173.290 174.370 -1.080 1
1 918 . 12 1 1 A 71 71 GLY CA C 71 45.960 45.670 0.290 1
1 919 . 12 1 1 A 71 71 GLY N N 71 118.750 114.851 3.899 1
1 920 . 12 1 1 A 72 72 PHE H H 72 8.426 8.233 0.193 1
1 921 . 12 1 1 A 72 72 PHE HA H 72 4.641 4.492 0.149 1
1 926 . 12 1 1 A 72 72 PHE CA C 72 56.830 57.141 -0.311 1
1 927 . 12 1 1 A 72 72 PHE CB C 72 40.650 39.844 0.806 1
1 928 . 12 1 1 A 72 72 PHE N N 72 124.640 122.112 2.528 1
1 929 . 12 1 1 A 73 73 PRO HA H 73 4.052 4.857 -0.805 1
1 934 . 12 1 1 A 73 73 PRO C C 73 174.500 176.299 -1.799 1
1 935 . 12 1 1 A 73 73 PRO CA C 73 62.460 62.165 0.295 1
1 936 . 12 1 1 A 73 73 PRO CB C 73 30.700 28.792 1.908 1
1 939 . 12 1 1 A 74 74 PHE H H 74 8.382 8.650 -0.268 1
1 940 . 12 1 1 A 74 74 PHE HA H 74 4.235 4.363 -0.128 1
1 945 . 12 1 1 A 74 74 PHE C C 74 175.590 175.333 0.257 1
1 946 . 12 1 1 A 74 74 PHE CA C 74 56.440 61.823 -5.383 1
1 947 . 12 1 1 A 74 74 PHE CB C 74 42.540 39.888 2.652 1
1 950 . 12 1 1 A 74 74 PHE N N 74 128.220 123.294 4.926 1
1 951 . 12 1 1 A 75 75 TYR H H 75 9.185 8.005 1.180 1
1 952 . 12 1 1 A 75 75 TYR HA H 75 3.764 4.986 -1.222 1
1 957 . 12 1 1 A 75 75 TYR C C 75 175.210 175.446 -0.236 1
1 958 . 12 1 1 A 75 75 TYR CA C 75 60.780 56.108 4.672 1
1 959 . 12 1 1 A 75 75 TYR CB C 75 36.110 39.047 -2.937 1
1 962 . 12 1 1 A 75 75 TYR N N 75 128.090 115.192 12.898 1
1 963 . 12 1 1 A 76 76 ASP H H 76 8.306 8.712 -0.406 1
1 964 . 12 1 1 A 76 76 ASP HA H 76 4.075 4.184 -0.109 1
1 967 . 12 1 1 A 76 76 ASP C C 76 175.390 174.640 0.750 1
1 968 . 12 1 1 A 76 76 ASP CA C 76 56.360 55.221 1.139 1
1 969 . 12 1 1 A 76 76 ASP CB C 76 40.510 40.114 0.396 1
1 970 . 12 1 1 A 76 76 ASP N N 76 107.370 121.004 -13.634 1
1 971 . 12 1 1 A 77 77 LYS H H 77 7.687 7.717 -0.030 1
1 972 . 12 1 1 A 77 77 LYS HA H 77 5.020 4.787 0.233 1
1 981 . 12 1 1 A 77 77 LYS CA C 77 53.450 52.884 0.566 1
1 982 . 12 1 1 A 77 77 LYS CB C 77 34.800 34.975 -0.175 1
1 986 . 12 1 1 A 77 77 LYS N N 77 118.880 118.260 0.620 1
1 987 . 12 1 1 A 78 78 PRO HA H 78 4.240 4.699 -0.459 1
1 994 . 12 1 1 A 78 78 PRO C C 78 177.470 177.088 0.382 1
1 995 . 12 1 1 A 78 78 PRO CA C 78 62.310 62.730 -0.420 1
1 996 . 12 1 1 A 78 78 PRO CB C 78 31.690 32.078 -0.388 1
1 999 . 12 1 1 A 79 79 MET H H 79 8.696 8.607 0.089 1
1 1000 . 12 1 1 A 79 79 MET HA H 79 4.289 4.548 -0.259 1
1 1008 . 12 1 1 A 79 79 MET C C 79 175.960 176.168 -0.208 1
1 1009 . 12 1 1 A 79 79 MET CA C 79 58.600 56.671 1.929 1
1 1010 . 12 1 1 A 79 79 MET CB C 79 35.200 33.186 2.014 1
1 1013 . 12 1 1 A 79 79 MET N N 79 126.540 122.237 4.303 1
1 1014 . 12 1 1 A 80 80 GLN H H 80 7.779 8.595 -0.816 1
1 1015 . 12 1 1 A 80 80 GLN HA H 80 4.855 5.352 -0.497 1
1 1022 . 12 1 1 A 80 80 GLN C C 80 174.820 174.612 0.208 1
1 1023 . 12 1 1 A 80 80 GLN CA C 80 54.550 54.308 0.242 1
1 1024 . 12 1 1 A 80 80 GLN CB C 80 29.320 31.777 -2.457 1
1 1026 . 12 1 1 A 80 80 GLN N N 80 122.810 120.102 2.708 1
1 1028 . 12 1 1 A 81 81 ILE H H 81 9.682 9.008 0.674 1
1 1029 . 12 1 1 A 81 81 ILE HA H 81 5.010 4.966 0.044 1
1 1039 . 12 1 1 A 81 81 ILE C C 81 174.710 174.214 0.496 1
1 1040 . 12 1 1 A 81 81 ILE CA C 81 60.900 60.055 0.845 1
1 1041 . 12 1 1 A 81 81 ILE CB C 81 40.120 42.304 -2.184 1
1 1045 . 12 1 1 A 81 81 ILE N N 81 126.070 123.620 2.450 1
1 1046 . 12 1 1 A 82 82 ALA H H 82 9.039 8.588 0.451 1
1 1047 . 12 1 1 A 82 82 ALA HA H 82 4.620 5.254 -0.634 1
1 1051 . 12 1 1 A 82 82 ALA C C 82 176.700 175.707 0.993 1
1 1052 . 12 1 1 A 82 82 ALA CA C 82 50.890 50.627 0.263 1
1 1053 . 12 1 1 A 82 82 ALA CB C 82 23.420 23.458 -0.038 1
1 1054 . 12 1 1 A 82 82 ALA N N 82 130.310 125.781 4.529 1
1 1055 . 12 1 1 A 83 83 TYR H H 83 8.411 8.930 -0.519 1
1 1056 . 12 1 1 A 83 83 TYR HA H 83 4.905 5.016 -0.111 1
1 1061 . 12 1 1 A 83 83 TYR C C 83 176.900 175.210 1.690 1
1 1062 . 12 1 1 A 83 83 TYR CA C 83 59.280 56.909 2.371 1
1 1063 . 12 1 1 A 83 83 TYR CB C 83 39.350 40.458 -1.108 1
1 1065 . 12 1 1 A 83 83 TYR N N 83 118.580 118.963 -0.383 1
1 1066 . 12 1 1 A 84 84 SER H H 84 8.452 8.993 -0.541 1
1 1067 . 12 1 1 A 84 84 SER HA H 84 4.248 5.121 -0.873 1
1 1070 . 12 1 1 A 84 84 SER C C 84 174.220 173.715 0.505 1
1 1071 . 12 1 1 A 84 84 SER CA C 84 58.560 57.697 0.863 1
1 1072 . 12 1 1 A 84 84 SER CB C 84 64.100 65.869 -1.769 1
1 1073 . 12 1 1 A 84 84 SER N N 84 115.040 116.716 -1.676 1
1 1074 . 12 1 1 A 85 85 LYS H H 85 8.443 8.748 -0.305 1
1 1075 . 12 1 1 A 85 85 LYS HA H 85 4.275 4.375 -0.100 1
1 1080 . 12 1 1 A 85 85 LYS C C 85 177.080 177.973 -0.893 1
1 1081 . 12 1 1 A 85 85 LYS CA C 85 56.960 56.852 0.108 1
1 1082 . 12 1 1 A 85 85 LYS CB C 85 33.150 32.897 0.253 1
1 1086 . 12 1 1 A 85 85 LYS N N 85 123.610 126.848 -3.238 1
1 1087 . 12 1 1 A 86 86 SER H H 86 8.204 8.878 -0.674 1
1 1088 . 12 1 1 A 86 86 SER HA H 86 4.335 4.185 0.150 1
1 1090 . 12 1 1 A 86 86 SER C C 86 174.080 174.498 -0.418 1
1 1091 . 12 1 1 A 86 86 SER CA C 86 58.400 60.920 -2.520 1
1 1092 . 12 1 1 A 86 86 SER CB C 86 63.750 62.971 0.779 1
1 1093 . 12 1 1 A 86 86 SER N N 86 115.780 117.487 -1.707 1
1 1094 . 12 1 1 A 87 87 ASP H H 87 8.435 8.228 0.207 1
1 1095 . 12 1 1 A 87 87 ASP HA H 87 4.578 4.966 -0.388 1
1 1098 . 12 1 1 A 87 87 ASP C C 87 176.630 177.959 -1.329 1
1 1099 . 12 1 1 A 87 87 ASP CA C 87 54.260 55.321 -1.061 1
1 1100 . 12 1 1 A 87 87 ASP CB C 87 40.780 43.711 -2.931 1
1 1101 . 12 1 1 A 87 87 ASP N N 87 121.910 121.292 0.618 1
1 1102 . 12 1 1 A 88 88 SER H H 88 8.061 8.455 -0.394 1
1 1103 . 12 1 1 A 88 88 SER HA H 88 4.328 4.129 0.199 1
1 1106 . 12 1 1 A 88 88 SER C C 88 174.840 175.806 -0.966 1
1 1107 . 12 1 1 A 88 88 SER CA C 88 58.800 61.838 -3.038 1
1 1108 . 12 1 1 A 88 88 SER CB C 88 63.870 62.882 0.988 1
1 1109 . 12 1 1 A 88 88 SER N N 88 116.440 116.608 -0.168 1
1 1110 . 12 1 1 A 89 89 ASP H H 89 8.556 8.117 0.439 1
1 1111 . 12 1 1 A 89 89 ASP HA H 89 4.460 4.380 0.080 1
1 1114 . 12 1 1 A 89 89 ASP C C 89 177.450 178.341 -0.891 1
1 1115 . 12 1 1 A 89 89 ASP CA C 89 56.110 57.719 -1.609 1
1 1116 . 12 1 1 A 89 89 ASP CB C 89 40.500 41.501 -1.001 1
1 1117 . 12 1 1 A 89 89 ASP N N 89 123.080 121.184 1.896 1
1 1118 . 12 1 1 A 90 90 ILE H H 90 7.756 7.798 -0.042 1
1 1119 . 12 1 1 A 90 90 ILE HA H 90 3.829 3.666 0.163 1
1 1129 . 12 1 1 A 90 90 ILE C C 90 177.060 177.946 -0.886 1
1 1130 . 12 1 1 A 90 90 ILE CA C 90 63.070 64.540 -1.470 1
1 1131 . 12 1 1 A 90 90 ILE CB C 90 38.290 37.353 0.937 1
1 1135 . 12 1 1 A 90 90 ILE N N 90 119.250 117.959 1.291 1
1 1136 . 12 1 1 A 91 91 VAL H H 91 7.459 8.243 -0.784 1
1 1137 . 12 1 1 A 91 91 VAL HA H 91 3.613 3.505 0.108 1
1 1145 . 12 1 1 A 91 91 VAL C C 91 177.080 178.041 -0.961 1
1 1146 . 12 1 1 A 91 91 VAL CA C 91 65.250 66.568 -1.318 1
1 1147 . 12 1 1 A 91 91 VAL CB C 91 31.970 31.529 0.441 1
1 1150 . 12 1 1 A 91 91 VAL N N 91 121.040 121.857 -0.817 1
1 1151 . 12 1 1 A 92 92 ALA H H 92 8.076 8.182 -0.106 1
1 1152 . 12 1 1 A 92 92 ALA HA H 92 4.098 4.117 -0.019 1
1 1156 . 12 1 1 A 92 92 ALA C C 92 179.510 179.770 -0.260 1
1 1157 . 12 1 1 A 92 92 ALA CA C 92 54.180 55.223 -1.043 1
1 1158 . 12 1 1 A 92 92 ALA CB C 92 18.660 18.285 0.375 1
1 1159 . 12 1 1 A 92 92 ALA N N 92 122.880 121.532 1.348 1
1 1160 . 12 1 1 A 93 93 LYS H H 93 7.946 7.898 0.048 1
1 1161 . 12 1 1 A 93 93 LYS HA H 93 4.136 3.250 0.886 1
1 1170 . 12 1 1 A 93 93 LYS C C 93 178.300 179.346 -1.046 1
1 1171 . 12 1 1 A 93 93 LYS CA C 93 58.000 59.102 -1.102 1
1 1172 . 12 1 1 A 93 93 LYS CB C 93 32.550 31.962 0.588 1
1 1176 . 12 1 1 A 93 93 LYS N N 93 118.800 117.399 1.401 1
1 1177 . 12 1 1 A 94 94 ILE H H 94 7.894 7.770 0.124 1
1 1178 . 12 1 1 A 94 94 ILE HA H 94 3.906 3.802 0.104 1
1 1188 . 12 1 1 A 94 94 ILE C C 94 177.720 177.519 0.201 1
1 1189 . 12 1 1 A 94 94 ILE CA C 94 63.200 63.518 -0.318 1
1 1190 . 12 1 1 A 94 94 ILE CB C 94 38.330 37.150 1.180 1
1 1194 . 12 1 1 A 94 94 ILE N N 94 120.760 116.688 4.072 1
1 1195 . 12 1 1 A 95 95 LYS H H 95 8.310 7.768 0.542 1
1 1196 . 12 1 1 A 95 95 LYS HA H 95 4.083 4.317 -0.234 1
1 1205 . 12 1 1 A 95 95 LYS C C 95 177.660 176.975 0.685 1
1 1206 . 12 1 1 A 95 95 LYS CA C 95 57.930 56.055 1.875 1
1 1207 . 12 1 1 A 95 95 LYS CB C 95 32.860 32.873 -0.013 1
1 1211 . 12 1 1 A 95 95 LYS N N 95 121.330 120.168 1.162 1
1 1212 . 12 1 1 A 96 96 GLY H H 96 8.122 7.818 0.304 1
1 1213 . 12 1 1 A 96 96 GLY HA2 H 96 3.999 4.057 -0.058 1
1 1214 . 12 1 1 A 96 96 GLY HA3 H 96 3.999 4.268 -0.269 1
1 1215 . 12 1 1 A 96 96 GLY C C 96 174.640 175.490 -0.850 1
1 1216 . 12 1 1 A 96 96 GLY CA C 96 45.660 45.787 -0.127 1
1 1217 . 12 1 1 A 96 96 GLY N N 96 107.870 108.174 -0.304 1
1 1218 . 12 1 1 A 97 97 THR H H 97 7.968 8.295 -0.327 1
1 1219 . 12 1 1 A 97 97 THR HA H 97 4.294 4.367 -0.073 1
1 1224 . 12 1 1 A 97 97 THR C C 97 174.590 176.050 -1.460 1
1 1225 . 12 1 1 A 97 97 THR CA C 97 62.160 65.329 -3.169 1
1 1226 . 12 1 1 A 97 97 THR CB C 97 69.630 68.888 0.742 1
1 1228 . 12 1 1 A 97 97 THR N N 97 112.820 113.991 -1.171 1
1 1229 . 12 1 1 A 98 98 PHE H H 98 7.938 8.581 -0.643 1
1 1230 . 12 1 1 A 98 98 PHE HA H 98 4.552 4.332 0.220 1
1 1235 . 12 1 1 A 98 98 PHE C C 98 175.370 176.147 -0.777 1
1 1236 . 12 1 1 A 98 98 PHE CA C 98 58.150 59.941 -1.791 1
1 1237 . 12 1 1 A 98 98 PHE CB C 98 39.550 37.744 1.806 1
1 1239 . 12 1 1 A 98 98 PHE N N 98 122.400 119.935 2.465 1
1 1240 . 12 1 1 A 99 99 LYS H H 99 7.986 7.369 0.617 1
1 1241 . 12 1 1 A 99 99 LYS HA H 99 4.242 4.281 -0.039 1
1 1250 . 12 1 1 A 99 99 LYS C C 99 175.750 175.449 0.301 1
1 1251 . 12 1 1 A 99 99 LYS CA C 99 56.030 55.965 0.065 1
1 1252 . 12 1 1 A 99 99 LYS CB C 99 33.390 33.945 -0.555 1
1 1256 . 12 1 1 A 99 99 LYS N N 99 123.810 113.373 10.437 1
1 1257 . 12 1 1 A 100 100 GLU H H 100 8.247 7.645 0.602 1
1 1258 . 12 1 1 A 100 100 GLU HA H 100 4.202 4.699 -0.497 1
1 1263 . 12 1 1 A 100 100 GLU C C 100 176.210 175.012 1.198 1
1 1264 . 12 1 1 A 100 100 GLU CA C 100 56.270 54.883 1.387 1
1 1265 . 12 1 1 A 100 100 GLU CB C 100 30.550 33.165 -2.615 1
1 1267 . 12 1 1 A 100 100 GLU N N 100 122.270 119.625 2.645 1
1 1268 . 12 1 1 A 101 101 ARG H H 101 8.415 8.515 -0.100 1
1 1269 . 12 1 1 A 101 101 ARG HA H 101 4.590 4.489 0.101 1
1 1276 . 12 1 1 A 101 101 ARG CA C 101 53.980 54.427 -0.447 1
1 1277 . 12 1 1 A 101 101 ARG CB C 101 30.070 29.690 0.380 1
1 1280 . 12 1 1 A 101 101 ARG N N 101 123.970 122.793 1.177 1
1 1281 . 12 1 1 A 102 102 PRO HA H 102 4.421 4.437 -0.016 1
1 1288 . 12 1 1 A 102 102 PRO C C 102 176.700 176.341 0.359 1
1 1289 . 12 1 1 A 102 102 PRO CA C 102 63.090 64.652 -1.562 1
1 1290 . 12 1 1 A 102 102 PRO CB C 102 32.160 32.004 0.156 1
1 1293 . 12 1 1 A 103 103 LYS H H 103 8.445 7.585 0.860 1
1 1294 . 12 1 1 A 103 103 LYS HA H 103 4.294 4.783 -0.489 1
1 1303 . 12 1 1 A 103 103 LYS C C 103 175.690 174.499 1.191 1
1 1304 . 12 1 1 A 103 103 LYS CA C 103 56.380 55.350 1.030 1
1 1305 . 12 1 1 A 103 103 LYS CB C 103 33.150 35.615 -2.465 1
1 1309 . 12 1 1 A 103 103 LYS N N 103 122.480 116.222 6.258 1
1 1 . 13 1 1 A 2 2 GLU HA H 2 4.372 4.123 0.249 1
1 6 . 13 1 1 A 2 2 GLU C C 2 175.830 177.613 -1.783 1
1 7 . 13 1 1 A 2 2 GLU CA C 2 56.340 59.494 -3.154 1
1 8 . 13 1 1 A 2 2 GLU CB C 2 30.550 29.805 0.745 1
1 10 . 13 1 1 A 3 3 MET H H 3 8.529 8.035 0.494 1
1 11 . 13 1 1 A 3 3 MET HA H 3 4.534 4.568 -0.034 1
1 19 . 13 1 1 A 3 3 MET C C 3 175.350 176.112 -0.762 1
1 20 . 13 1 1 A 3 3 MET CA C 3 54.950 54.781 0.169 1
1 21 . 13 1 1 A 3 3 MET CB C 3 33.150 32.866 0.284 1
1 24 . 13 1 1 A 3 3 MET N N 3 122.340 118.982 3.358 1
1 25 . 13 1 1 A 4 4 LEU H H 4 8.265 8.292 -0.027 1
1 26 . 13 1 1 A 4 4 LEU HA H 4 4.579 4.372 0.207 1
1 36 . 13 1 1 A 4 4 LEU CA C 4 52.620 53.099 -0.479 1
1 37 . 13 1 1 A 4 4 LEU CB C 4 41.780 41.696 0.084 1
1 41 . 13 1 1 A 4 4 LEU N N 4 125.280 121.712 3.568 1
1 42 . 13 1 1 A 5 5 PRO HA H 5 4.268 4.771 -0.503 1
1 49 . 13 1 1 A 5 5 PRO C C 5 175.390 175.144 0.246 1
1 50 . 13 1 1 A 5 5 PRO CA C 5 62.620 63.192 -0.572 1
1 51 . 13 1 1 A 5 5 PRO CB C 5 32.300 32.392 -0.092 1
1 54 . 13 1 1 A 6 6 ASN H H 6 6.913 8.972 -2.059 1
1 55 . 13 1 1 A 6 6 ASN HA H 6 4.460 5.160 -0.700 1
1 60 . 13 1 1 A 6 6 ASN C C 6 172.390 175.186 -2.796 1
1 61 . 13 1 1 A 6 6 ASN CA C 6 52.920 52.425 0.495 1
1 62 . 13 1 1 A 6 6 ASN CB C 6 41.920 41.895 0.025 1
1 63 . 13 1 1 A 6 6 ASN N N 6 117.610 120.199 -2.589 1
1 65 . 13 1 1 A 7 7 GLN H H 7 8.465 8.905 -0.440 1
1 66 . 13 1 1 A 7 7 GLN HA H 7 4.164 4.265 -0.101 1
1 73 . 13 1 1 A 7 7 GLN C C 7 175.020 175.368 -0.348 1
1 74 . 13 1 1 A 7 7 GLN CA C 7 58.100 57.837 0.263 1
1 75 . 13 1 1 A 7 7 GLN CB C 7 29.270 29.387 -0.117 1
1 77 . 13 1 1 A 7 7 GLN N N 7 116.430 122.213 -5.783 1
1 79 . 13 1 1 A 8 8 THR H H 8 8.374 7.714 0.660 1
1 80 . 13 1 1 A 8 8 THR HA H 8 5.399 5.556 -0.157 1
1 85 . 13 1 1 A 8 8 THR C C 8 173.700 173.938 -0.238 1
1 86 . 13 1 1 A 8 8 THR CA C 8 62.380 61.390 0.990 1
1 87 . 13 1 1 A 8 8 THR CB C 8 69.100 73.078 -3.978 1
1 89 . 13 1 1 A 8 8 THR N N 8 118.220 111.227 6.993 1
1 90 . 13 1 1 A 9 9 ILE H H 9 8.794 9.185 -0.391 1
1 91 . 13 1 1 A 9 9 ILE HA H 9 5.085 5.428 -0.343 1
1 101 . 13 1 1 A 9 9 ILE C C 9 173.490 173.831 -0.341 1
1 102 . 13 1 1 A 9 9 ILE CA C 9 59.000 59.274 -0.274 1
1 103 . 13 1 1 A 9 9 ILE CB C 9 39.710 42.479 -2.769 1
1 107 . 13 1 1 A 9 9 ILE N N 9 118.250 118.312 -0.062 1
1 108 . 13 1 1 A 10 10 TYR H H 10 9.384 9.172 0.212 1
1 109 . 13 1 1 A 10 10 TYR HA H 10 5.032 5.245 -0.213 1
1 116 . 13 1 1 A 10 10 TYR C C 10 173.920 173.515 0.405 1
1 117 . 13 1 1 A 10 10 TYR CA C 10 55.240 56.216 -0.976 1
1 118 . 13 1 1 A 10 10 TYR CB C 10 40.700 42.044 -1.344 1
1 123 . 13 1 1 A 10 10 TYR N N 10 124.310 124.316 -0.006 1
1 124 . 13 1 1 A 11 11 ILE H H 11 9.000 8.960 0.040 1
1 125 . 13 1 1 A 11 11 ILE HA H 11 4.629 4.953 -0.324 1
1 135 . 13 1 1 A 11 11 ILE C C 11 180.280 174.215 6.065 1
1 136 . 13 1 1 A 11 11 ILE CA C 11 60.050 59.068 0.982 1
1 137 . 13 1 1 A 11 11 ILE CB C 11 40.350 40.939 -0.589 1
1 141 . 13 1 1 A 11 11 ILE N N 11 126.640 126.584 0.056 1
1 142 . 13 1 1 A 12 12 ASN H H 12 8.844 8.932 -0.088 1
1 143 . 13 1 1 A 12 12 ASN HA H 12 5.267 4.782 0.485 1
1 148 . 13 1 1 A 12 12 ASN C C 12 174.640 174.345 0.295 1
1 149 . 13 1 1 A 12 12 ASN CA C 12 50.860 51.399 -0.539 1
1 150 . 13 1 1 A 12 12 ASN CB C 12 41.400 42.315 -0.915 1
1 151 . 13 1 1 A 12 12 ASN N N 12 123.520 122.776 0.744 1
1 153 . 13 1 1 A 13 13 ASN H H 13 8.689 8.920 -0.231 1
1 154 . 13 1 1 A 13 13 ASN HA H 13 4.456 4.301 0.155 1
1 159 . 13 1 1 A 13 13 ASN C C 13 176.140 175.190 0.950 1
1 160 . 13 1 1 A 13 13 ASN CA C 13 53.920 54.152 -0.232 1
1 161 . 13 1 1 A 13 13 ASN CB C 13 39.360 37.867 1.493 1
1 162 . 13 1 1 A 13 13 ASN N N 13 115.910 119.545 -3.635 1
1 164 . 13 1 1 A 14 14 LEU H H 14 8.221 8.055 0.166 1
1 165 . 13 1 1 A 14 14 LEU HA H 14 4.350 4.227 0.123 1
1 175 . 13 1 1 A 14 14 LEU C C 14 177.880 175.823 2.057 1
1 176 . 13 1 1 A 14 14 LEU CA C 14 54.000 55.434 -1.434 1
1 177 . 13 1 1 A 14 14 LEU CB C 14 42.830 43.297 -0.467 1
1 181 . 13 1 1 A 14 14 LEU N N 14 116.310 120.128 -3.818 1
1 182 . 13 1 1 A 15 15 ASN H H 15 9.226 8.660 0.566 1
1 183 . 13 1 1 A 15 15 ASN HA H 15 4.225 4.863 -0.638 1
1 188 . 13 1 1 A 15 15 ASN C C 15 176.150 176.773 -0.623 1
1 189 . 13 1 1 A 15 15 ASN CA C 15 54.210 53.017 1.193 1
1 190 . 13 1 1 A 15 15 ASN CB C 15 38.050 38.973 -0.923 1
1 191 . 13 1 1 A 15 15 ASN N N 15 120.300 123.753 -3.453 1
1 193 . 13 1 1 A 16 16 GLU H H 16 9.234 8.784 0.450 1
1 194 . 13 1 1 A 16 16 GLU HA H 16 4.110 4.066 0.044 1
1 199 . 13 1 1 A 16 16 GLU C C 16 176.510 178.242 -1.732 1
1 200 . 13 1 1 A 16 16 GLU CA C 16 57.800 58.480 -0.680 1
1 201 . 13 1 1 A 16 16 GLU CB C 16 29.300 29.072 0.228 1
1 203 . 13 1 1 A 16 16 GLU N N 16 128.160 126.238 1.922 1
1 204 . 13 1 1 A 17 17 LYS H H 17 8.421 8.061 0.360 1
1 205 . 13 1 1 A 17 17 LYS HA H 17 4.170 4.123 0.047 1
1 214 . 13 1 1 A 17 17 LYS C C 17 176.700 176.883 -0.183 1
1 215 . 13 1 1 A 17 17 LYS CA C 17 56.750 58.981 -2.231 1
1 216 . 13 1 1 A 17 17 LYS CB C 17 32.370 31.813 0.557 1
1 220 . 13 1 1 A 17 17 LYS N N 17 118.450 118.632 -0.182 1
1 221 . 13 1 1 A 18 18 ILE H H 18 6.751 7.344 -0.593 1
1 222 . 13 1 1 A 18 18 ILE HA H 18 3.830 3.831 -0.001 1
1 232 . 13 1 1 A 18 18 ILE C C 18 176.560 176.030 0.530 1
1 233 . 13 1 1 A 18 18 ILE CA C 18 58.640 62.098 -3.458 1
1 234 . 13 1 1 A 18 18 ILE CB C 18 35.940 37.925 -1.985 1
1 238 . 13 1 1 A 18 18 ILE N N 18 118.790 122.686 -3.896 1
1 239 . 13 1 1 A 19 19 LYS H H 19 8.815 8.618 0.197 1
1 240 . 13 1 1 A 19 19 LYS HA H 19 4.189 4.154 0.035 1
1 249 . 13 1 1 A 19 19 LYS C C 19 178.340 177.764 0.576 1
1 250 . 13 1 1 A 19 19 LYS CA C 19 57.250 56.340 0.910 1
1 251 . 13 1 1 A 19 19 LYS CB C 19 32.800 33.792 -0.992 1
1 255 . 13 1 1 A 19 19 LYS N N 19 129.030 128.821 0.209 1
1 256 . 13 1 1 A 20 20 LYS H H 20 9.032 9.064 -0.032 1
1 257 . 13 1 1 A 20 20 LYS HA H 20 3.854 3.887 -0.033 1
1 266 . 13 1 1 A 20 20 LYS C C 20 178.390 177.936 0.454 1
1 267 . 13 1 1 A 20 20 LYS CA C 20 59.740 60.433 -0.693 1
1 268 . 13 1 1 A 20 20 LYS CB C 20 31.390 32.127 -0.737 1
1 272 . 13 1 1 A 20 20 LYS N N 20 123.440 127.036 -3.596 1
1 273 . 13 1 1 A 21 21 GLU H H 21 9.341 8.013 1.328 1
1 274 . 13 1 1 A 21 21 GLU HA H 21 4.074 4.080 -0.006 1
1 279 . 13 1 1 A 21 21 GLU C C 21 179.120 179.357 -0.237 1
1 280 . 13 1 1 A 21 21 GLU CA C 21 60.270 59.332 0.938 1
1 281 . 13 1 1 A 21 21 GLU CB C 21 28.840 29.046 -0.206 1
1 283 . 13 1 1 A 21 21 GLU N N 21 117.890 118.188 -0.298 1
1 284 . 13 1 1 A 22 22 GLU H H 22 6.994 8.224 -1.230 1
1 285 . 13 1 1 A 22 22 GLU HA H 22 4.166 4.079 0.087 1
1 290 . 13 1 1 A 22 22 GLU C C 22 178.200 179.075 -0.875 1
1 291 . 13 1 1 A 22 22 GLU CA C 22 58.530 59.147 -0.617 1
1 292 . 13 1 1 A 22 22 GLU CB C 22 29.180 29.576 -0.396 1
1 294 . 13 1 1 A 22 22 GLU N N 22 119.810 120.312 -0.502 1
1 295 . 13 1 1 A 23 23 LEU H H 23 8.462 8.469 -0.007 1
1 296 . 13 1 1 A 23 23 LEU HA H 23 3.981 4.222 -0.241 1
1 306 . 13 1 1 A 23 23 LEU C C 23 178.780 178.585 0.195 1
1 307 . 13 1 1 A 23 23 LEU CA C 23 58.840 58.238 0.602 1
1 308 . 13 1 1 A 23 23 LEU CB C 23 42.420 41.934 0.486 1
1 312 . 13 1 1 A 23 23 LEU N N 23 121.220 121.684 -0.464 1
1 313 . 13 1 1 A 24 24 LYS H H 24 8.411 8.319 0.092 1
1 314 . 13 1 1 A 24 24 LYS HA H 24 3.808 3.890 -0.082 1
1 323 . 13 1 1 A 24 24 LYS C C 24 178.200 179.850 -1.650 1
1 324 . 13 1 1 A 24 24 LYS CA C 24 61.500 60.403 1.097 1
1 325 . 13 1 1 A 24 24 LYS CB C 24 32.500 32.290 0.210 1
1 329 . 13 1 1 A 24 24 LYS N N 24 116.620 119.165 -2.545 1
1 330 . 13 1 1 A 25 25 LYS H H 25 7.592 8.045 -0.453 1
1 331 . 13 1 1 A 25 25 LYS HA H 25 4.181 4.101 0.080 1
1 340 . 13 1 1 A 25 25 LYS C C 25 180.280 179.494 0.786 1
1 341 . 13 1 1 A 25 25 LYS CA C 25 60.140 59.321 0.819 1
1 342 . 13 1 1 A 25 25 LYS CB C 25 32.690 32.173 0.517 1
1 346 . 13 1 1 A 25 25 LYS N N 25 118.830 119.827 -0.997 1
1 347 . 13 1 1 A 26 26 SER H H 26 8.845 8.511 0.334 1
1 348 . 13 1 1 A 26 26 SER HA H 26 4.570 4.182 0.388 1
1 351 . 13 1 1 A 26 26 SER C C 26 176.880 176.224 0.656 1
1 352 . 13 1 1 A 26 26 SER CA C 26 62.210 62.432 -0.222 1
1 353 . 13 1 1 A 26 26 SER CB C 26 63.320 63.220 0.100 1
1 354 . 13 1 1 A 26 26 SER N N 26 117.880 117.193 0.687 1
1 355 . 13 1 1 A 27 27 LEU H H 27 9.040 8.585 0.455 1
1 356 . 13 1 1 A 27 27 LEU HA H 27 4.190 4.117 0.073 1
1 366 . 13 1 1 A 27 27 LEU C C 27 179.100 178.880 0.220 1
1 367 . 13 1 1 A 27 27 LEU CA C 27 57.960 57.896 0.064 1
1 368 . 13 1 1 A 27 27 LEU CB C 27 43.030 41.735 1.295 1
1 372 . 13 1 1 A 27 27 LEU N N 27 122.840 121.217 1.623 1
1 373 . 13 1 1 A 28 28 TYR H H 28 8.535 8.652 -0.117 1
1 374 . 13 1 1 A 28 28 TYR HA H 28 3.826 4.173 -0.347 1
1 379 . 13 1 1 A 28 28 TYR C C 28 178.360 178.099 0.261 1
1 380 . 13 1 1 A 28 28 TYR CA C 28 63.220 62.100 1.120 1
1 381 . 13 1 1 A 28 28 TYR CB C 28 38.320 38.241 0.079 1
1 384 . 13 1 1 A 28 28 TYR N N 28 121.030 118.986 2.044 1
1 385 . 13 1 1 A 29 29 ALA H H 29 8.009 8.326 -0.317 1
1 386 . 13 1 1 A 29 29 ALA HA H 29 3.364 4.177 -0.813 1
1 390 . 13 1 1 A 29 29 ALA CA C 29 55.420 54.901 0.519 1
1 391 . 13 1 1 A 29 29 ALA CB C 29 18.920 18.802 0.118 1
1 392 . 13 1 1 A 29 29 ALA N N 29 120.570 121.711 -1.141 1
1 393 . 13 1 1 A 30 30 ILE HA H 30 4.048 4.370 -0.322 1
1 403 . 13 1 1 A 30 30 ILE C C 30 177.270 177.590 -0.320 1
1 404 . 13 1 1 A 30 30 ILE CA C 30 63.380 61.706 1.674 1
1 405 . 13 1 1 A 30 30 ILE CB C 30 38.850 39.514 -0.664 1
1 409 . 13 1 1 A 31 31 PHE H H 31 8.446 8.631 -0.185 1
1 410 . 13 1 1 A 31 31 PHE HA H 31 4.900 4.490 0.410 1
1 415 . 13 1 1 A 31 31 PHE C C 31 177.820 178.695 -0.875 1
1 416 . 13 1 1 A 31 31 PHE CA C 31 62.380 60.320 2.060 1
1 417 . 13 1 1 A 31 31 PHE CB C 31 38.900 38.168 0.732 1
1 418 . 13 1 1 A 31 31 PHE N N 31 115.770 121.780 -6.010 1
1 419 . 13 1 1 A 32 32 SER H H 32 8.392 7.952 0.440 1
1 420 . 13 1 1 A 32 32 SER HA H 32 4.365 4.536 -0.171 1
1 423 . 13 1 1 A 32 32 SER C C 32 176.140 176.354 -0.214 1
1 424 . 13 1 1 A 32 32 SER CA C 32 61.680 61.865 -0.185 1
1 425 . 13 1 1 A 32 32 SER CB C 32 62.460 62.752 -0.292 1
1 426 . 13 1 1 A 32 32 SER N N 32 116.890 115.604 1.286 1
1 427 . 13 1 1 A 33 33 GLN H H 33 7.310 7.735 -0.425 1
1 428 . 13 1 1 A 33 33 GLN HA H 33 4.059 3.925 0.134 1
1 435 . 13 1 1 A 33 33 GLN C C 33 176.330 176.769 -0.439 1
1 436 . 13 1 1 A 33 33 GLN CA C 33 57.220 58.227 -1.007 1
1 437 . 13 1 1 A 33 33 GLN CB C 33 28.040 28.582 -0.542 1
1 439 . 13 1 1 A 33 33 GLN N N 33 117.530 119.593 -2.063 1
1 441 . 13 1 1 A 34 34 PHE H H 34 7.626 7.676 -0.050 1
1 442 . 13 1 1 A 34 34 PHE HA H 34 4.435 4.652 -0.217 1
1 447 . 13 1 1 A 34 34 PHE C C 34 175.590 176.376 -0.786 1
1 448 . 13 1 1 A 34 34 PHE CA C 34 59.410 58.686 0.724 1
1 449 . 13 1 1 A 34 34 PHE CB C 34 39.380 41.205 -1.825 1
1 452 . 13 1 1 A 34 34 PHE N N 34 116.090 114.101 1.989 1
1 453 . 13 1 1 A 35 35 GLY H H 35 7.595 7.722 -0.127 1
1 454 . 13 1 1 A 35 35 GLY HA2 H 35 3.960 4.080 -0.120 1
1 455 . 13 1 1 A 35 35 GLY HA3 H 35 4.612 4.162 0.450 1
1 456 . 13 1 1 A 35 35 GLY C C 35 170.890 173.024 -2.134 1
1 457 . 13 1 1 A 35 35 GLY CA C 35 44.160 45.007 -0.847 1
1 458 . 13 1 1 A 35 35 GLY N N 35 107.470 104.050 3.420 1
1 459 . 13 1 1 A 36 36 GLN H H 36 8.404 8.634 -0.230 1
1 460 . 13 1 1 A 36 36 GLN HA H 36 4.275 4.281 -0.006 1
1 467 . 13 1 1 A 36 36 GLN C C 36 176.650 176.078 0.572 1
1 468 . 13 1 1 A 36 36 GLN CA C 36 57.180 56.452 0.728 1
1 469 . 13 1 1 A 36 36 GLN CB C 36 29.360 29.124 0.236 1
1 471 . 13 1 1 A 36 36 GLN N N 36 116.620 124.457 -7.837 1
1 473 . 13 1 1 A 37 37 ILE H H 37 9.009 8.792 0.217 1
1 474 . 13 1 1 A 37 37 ILE HA H 37 4.068 3.913 0.155 1
1 484 . 13 1 1 A 37 37 ILE C C 37 176.530 175.893 0.637 1
1 485 . 13 1 1 A 37 37 ILE CA C 37 61.270 62.039 -0.769 1
1 486 . 13 1 1 A 37 37 ILE CB C 37 40.600 38.162 2.438 1
1 490 . 13 1 1 A 37 37 ILE N N 37 129.370 128.017 1.353 1
1 491 . 13 1 1 A 38 38 LEU H H 38 9.472 9.336 0.136 1
1 492 . 13 1 1 A 38 38 LEU HA H 38 4.291 4.569 -0.278 1
1 502 . 13 1 1 A 38 38 LEU C C 38 176.900 175.423 1.477 1
1 503 . 13 1 1 A 38 38 LEU CA C 38 56.520 55.925 0.595 1
1 504 . 13 1 1 A 38 38 LEU CB C 38 42.030 45.164 -3.134 1
1 508 . 13 1 1 A 38 38 LEU N N 38 128.180 127.645 0.535 1
1 509 . 13 1 1 A 39 39 ASP H H 39 7.493 7.718 -0.225 1
1 510 . 13 1 1 A 39 39 ASP HA H 39 4.715 4.984 -0.269 1
1 513 . 13 1 1 A 39 39 ASP C C 39 173.560 173.722 -0.162 1
1 514 . 13 1 1 A 39 39 ASP CA C 39 53.510 53.450 0.060 1
1 515 . 13 1 1 A 39 39 ASP CB C 39 44.160 43.914 0.246 1
1 516 . 13 1 1 A 39 39 ASP N N 39 114.640 117.334 -2.694 1
1 517 . 13 1 1 A 40 40 ILE H H 40 8.537 8.528 0.009 1
1 518 . 13 1 1 A 40 40 ILE HA H 40 4.722 4.829 -0.107 1
1 528 . 13 1 1 A 40 40 ILE C C 40 174.090 174.936 -0.846 1
1 529 . 13 1 1 A 40 40 ILE CA C 40 61.060 59.900 1.160 1
1 530 . 13 1 1 A 40 40 ILE CB C 40 41.220 42.287 -1.067 1
1 534 . 13 1 1 A 40 40 ILE N N 40 119.670 122.160 -2.490 1
1 535 . 13 1 1 A 41 41 VAL H H 41 8.807 8.854 -0.047 1
1 536 . 13 1 1 A 41 41 VAL HA H 41 4.195 4.948 -0.753 1
1 544 . 13 1 1 A 41 41 VAL C C 41 174.470 174.560 -0.090 1
1 545 . 13 1 1 A 41 41 VAL CA C 41 61.020 61.125 -0.105 1
1 546 . 13 1 1 A 41 41 VAL CB C 41 34.160 34.439 -0.279 1
1 549 . 13 1 1 A 41 41 VAL N N 41 127.000 125.931 1.069 1
1 550 . 13 1 1 A 42 42 ALA H H 42 8.708 8.733 -0.025 1
1 551 . 13 1 1 A 42 42 ALA HA H 42 4.796 4.995 -0.199 1
1 555 . 13 1 1 A 42 42 ALA C C 42 175.210 175.690 -0.480 1
1 556 . 13 1 1 A 42 42 ALA CA C 42 51.430 51.626 -0.196 1
1 557 . 13 1 1 A 42 42 ALA CB C 42 19.780 23.992 -4.212 1
1 558 . 13 1 1 A 42 42 ALA N N 42 130.100 127.879 2.221 1
1 559 . 13 1 1 A 43 43 LEU H H 43 8.224 8.567 -0.343 1
1 560 . 13 1 1 A 43 43 LEU HA H 43 4.575 4.885 -0.310 1
1 570 . 13 1 1 A 43 43 LEU CA C 43 54.620 53.419 1.201 1
1 571 . 13 1 1 A 43 43 LEU CB C 43 43.640 45.893 -2.253 1
1 575 . 13 1 1 A 43 43 LEU N N 43 122.270 119.235 3.035 1
1 576 . 13 1 1 A 44 44 LYS HA H 44 4.570 4.149 0.421 1
1 585 . 13 1 1 A 44 44 LYS CA C 44 56.000 58.437 -2.437 1
1 586 . 13 1 1 A 44 44 LYS CB C 44 32.940 32.489 0.451 1
1 590 . 13 1 1 A 45 45 THR H H 45 7.706 7.544 0.162 1
1 591 . 13 1 1 A 45 45 THR HA H 45 4.494 4.213 0.281 1
1 596 . 13 1 1 A 45 45 THR CA C 45 60.500 61.998 -1.498 1
1 597 . 13 1 1 A 45 45 THR CB C 45 70.450 69.938 0.512 1
1 599 . 13 1 1 A 45 45 THR N N 45 113.650 111.843 1.807 1
1 600 . 13 1 1 A 46 46 LEU HA H 46 4.142 4.011 0.131 1
1 610 . 13 1 1 A 46 46 LEU C C 46 179.030 177.836 1.194 1
1 611 . 13 1 1 A 46 46 LEU CA C 46 57.630 58.721 -1.091 1
1 612 . 13 1 1 A 46 46 LEU CB C 46 42.020 41.325 0.695 1
1 616 . 13 1 1 A 47 47 LYS H H 47 8.325 8.003 0.322 1
1 617 . 13 1 1 A 47 47 LYS HA H 47 4.139 4.126 0.013 1
1 626 . 13 1 1 A 47 47 LYS C C 47 176.700 177.672 -0.972 1
1 627 . 13 1 1 A 47 47 LYS CA C 47 57.800 58.516 -0.716 1
1 628 . 13 1 1 A 47 47 LYS CB C 47 32.440 32.244 0.196 1
1 632 . 13 1 1 A 47 47 LYS N N 47 116.870 119.304 -2.434 1
1 633 . 13 1 1 A 48 48 MET H H 48 7.649 7.873 -0.224 1
1 634 . 13 1 1 A 48 48 MET HA H 48 4.581 4.830 -0.249 1
1 642 . 13 1 1 A 48 48 MET C C 48 175.550 176.375 -0.825 1
1 643 . 13 1 1 A 48 48 MET CA C 48 54.970 55.052 -0.082 1
1 644 . 13 1 1 A 48 48 MET CB C 48 32.770 34.112 -1.342 1
1 647 . 13 1 1 A 48 48 MET N N 48 116.090 116.069 0.021 1
1 648 . 13 1 1 A 49 49 ARG H H 49 7.653 8.021 -0.368 1
1 649 . 13 1 1 A 49 49 ARG HA H 49 4.377 4.456 -0.079 1
1 656 . 13 1 1 A 49 49 ARG C C 49 177.450 178.819 -1.369 1
1 657 . 13 1 1 A 49 49 ARG CA C 49 57.250 57.163 0.087 1
1 658 . 13 1 1 A 49 49 ARG CB C 49 30.400 31.023 -0.623 1
1 661 . 13 1 1 A 49 49 ARG N N 49 119.580 119.020 0.560 1
1 662 . 13 1 1 A 50 50 GLY H H 50 9.177 8.037 1.140 1
1 663 . 13 1 1 A 50 50 GLY HA2 H 50 3.960 3.965 -0.005 1
1 664 . 13 1 1 A 50 50 GLY HA3 H 50 4.107 3.972 0.135 1
1 665 . 13 1 1 A 50 50 GLY C C 50 172.960 173.723 -0.763 1
1 666 . 13 1 1 A 50 50 GLY CA C 50 46.140 45.473 0.667 1
1 667 . 13 1 1 A 50 50 GLY N N 50 111.640 107.689 3.951 1
1 668 . 13 1 1 A 51 51 GLN H H 51 7.853 7.620 0.233 1
1 669 . 13 1 1 A 51 51 GLN HA H 51 5.516 4.777 0.739 1
1 675 . 13 1 1 A 51 51 GLN C C 51 174.800 173.879 0.921 1
1 676 . 13 1 1 A 51 51 GLN CA C 51 54.160 53.958 0.202 1
1 677 . 13 1 1 A 51 51 GLN CB C 51 34.330 33.138 1.192 1
1 679 . 13 1 1 A 51 51 GLN N N 51 117.000 118.161 -1.161 1
1 681 . 13 1 1 A 52 52 ALA H H 52 8.765 8.241 0.524 1
1 682 . 13 1 1 A 52 52 ALA HA H 52 5.098 4.868 0.230 1
1 686 . 13 1 1 A 52 52 ALA C C 52 174.820 175.033 -0.213 1
1 687 . 13 1 1 A 52 52 ALA CA C 52 51.170 51.283 -0.113 1
1 688 . 13 1 1 A 52 52 ALA CB C 52 23.350 23.592 -0.242 1
1 689 . 13 1 1 A 52 52 ALA N N 52 121.050 121.830 -0.780 1
1 690 . 13 1 1 A 53 53 PHE H H 53 8.840 8.796 0.044 1
1 691 . 13 1 1 A 53 53 PHE HA H 53 5.615 5.471 0.144 1
1 696 . 13 1 1 A 53 53 PHE C C 53 174.870 174.582 0.288 1
1 697 . 13 1 1 A 53 53 PHE CA C 53 55.770 56.312 -0.542 1
1 698 . 13 1 1 A 53 53 PHE CB C 53 41.530 43.688 -2.158 1
1 701 . 13 1 1 A 53 53 PHE N N 53 115.860 115.825 0.035 1
1 702 . 13 1 1 A 54 54 VAL H H 54 8.766 8.615 0.151 1
1 703 . 13 1 1 A 54 54 VAL HA H 54 4.169 4.579 -0.410 1
1 711 . 13 1 1 A 54 54 VAL C C 54 173.330 173.671 -0.341 1
1 712 . 13 1 1 A 54 54 VAL CA C 54 61.920 60.178 1.742 1
1 713 . 13 1 1 A 54 54 VAL CB C 54 32.860 35.244 -2.384 1
1 716 . 13 1 1 A 54 54 VAL N N 54 121.920 118.882 3.038 1
1 717 . 13 1 1 A 55 55 ILE H H 55 8.319 9.056 -0.737 1
1 718 . 13 1 1 A 55 55 ILE HA H 55 4.512 5.127 -0.615 1
1 728 . 13 1 1 A 55 55 ILE C C 55 173.920 174.626 -0.706 1
1 729 . 13 1 1 A 55 55 ILE CA C 55 60.880 60.000 0.880 1
1 730 . 13 1 1 A 55 55 ILE CB C 55 39.130 39.748 -0.618 1
1 734 . 13 1 1 A 55 55 ILE N N 55 126.350 127.963 -1.613 1
1 735 . 13 1 1 A 56 56 PHE H H 56 9.009 9.209 -0.200 1
1 736 . 13 1 1 A 56 56 PHE HA H 56 4.889 4.966 -0.077 1
1 741 . 13 1 1 A 56 56 PHE C C 56 175.180 176.155 -0.975 1
1 742 . 13 1 1 A 56 56 PHE CA C 56 59.030 56.775 2.255 1
1 743 . 13 1 1 A 56 56 PHE CB C 56 40.320 43.227 -2.907 1
1 744 . 13 1 1 A 56 56 PHE N N 56 126.440 125.166 1.274 1
1 745 . 13 1 1 A 57 57 LYS H H 57 8.191 8.889 -0.698 1
1 746 . 13 1 1 A 57 57 LYS HA H 57 3.969 4.306 -0.337 1
1 755 . 13 1 1 A 57 57 LYS C C 57 176.140 176.351 -0.211 1
1 756 . 13 1 1 A 57 57 LYS CA C 57 59.290 57.557 1.733 1
1 757 . 13 1 1 A 57 57 LYS CB C 57 33.850 33.216 0.634 1
1 761 . 13 1 1 A 57 57 LYS N N 57 119.130 120.626 -1.496 1
1 762 . 13 1 1 A 58 58 GLU H H 58 8.614 7.888 0.726 1
1 763 . 13 1 1 A 58 58 GLU HA H 58 4.850 4.733 0.117 1
1 768 . 13 1 1 A 58 58 GLU C C 58 177.130 176.220 0.910 1
1 769 . 13 1 1 A 58 58 GLU CA C 58 54.130 55.817 -1.687 1
1 770 . 13 1 1 A 58 58 GLU CB C 58 32.230 32.999 -0.769 1
1 772 . 13 1 1 A 58 58 GLU N N 58 114.350 118.230 -3.880 1
1 773 . 13 1 1 A 59 59 ILE H H 59 8.825 8.760 0.065 1
1 774 . 13 1 1 A 59 59 ILE HA H 59 3.499 3.828 -0.329 1
1 784 . 13 1 1 A 59 59 ILE C C 59 177.650 178.114 -0.464 1
1 785 . 13 1 1 A 59 59 ILE CA C 59 65.660 64.298 1.362 1
1 786 . 13 1 1 A 59 59 ILE CB C 59 38.040 37.634 0.406 1
1 790 . 13 1 1 A 59 59 ILE N N 59 122.940 123.854 -0.914 1
1 791 . 13 1 1 A 60 60 GLY H H 60 8.875 8.525 0.350 1
1 792 . 13 1 1 A 60 60 GLY HA2 H 60 3.780 3.800 -0.020 1
1 793 . 13 1 1 A 60 60 GLY HA3 H 60 3.925 3.811 0.114 1
1 794 . 13 1 1 A 60 60 GLY C C 60 176.700 176.393 0.307 1
1 795 . 13 1 1 A 60 60 GLY CA C 60 47.070 47.501 -0.431 1
1 796 . 13 1 1 A 60 60 GLY N N 60 106.980 110.921 -3.941 1
1 797 . 13 1 1 A 61 61 SER H H 61 6.973 7.946 -0.973 1
1 798 . 13 1 1 A 61 61 SER HA H 61 4.141 4.278 -0.137 1
1 801 . 13 1 1 A 61 61 SER C C 61 174.060 176.095 -2.035 1
1 802 . 13 1 1 A 61 61 SER CA C 61 61.870 62.601 -0.731 1
1 803 . 13 1 1 A 61 61 SER CB C 61 63.150 62.869 0.281 1
1 804 . 13 1 1 A 61 61 SER N N 61 116.200 119.552 -3.352 1
1 805 . 13 1 1 A 62 62 ALA H H 62 6.786 8.338 -1.552 1
1 806 . 13 1 1 A 62 62 ALA HA H 62 3.370 2.799 0.571 1
1 810 . 13 1 1 A 62 62 ALA C C 62 178.960 179.294 -0.334 1
1 811 . 13 1 1 A 62 62 ALA CA C 62 55.370 54.779 0.591 1
1 812 . 13 1 1 A 62 62 ALA CB C 62 19.030 18.643 0.387 1
1 813 . 13 1 1 A 62 62 ALA N N 62 123.660 123.702 -0.042 1
1 814 . 13 1 1 A 63 63 SER H H 63 8.379 8.048 0.331 1
1 815 . 13 1 1 A 63 63 SER HA H 63 4.551 4.129 0.422 1
1 818 . 13 1 1 A 63 63 SER C C 63 177.040 176.130 0.910 1
1 819 . 13 1 1 A 63 63 SER CA C 63 61.000 61.543 -0.543 1
1 820 . 13 1 1 A 63 63 SER CB C 63 63.090 62.811 0.279 1
1 821 . 13 1 1 A 63 63 SER N N 63 111.560 112.767 -1.207 1
1 822 . 13 1 1 A 64 64 ASN H H 64 7.737 8.193 -0.456 1
1 823 . 13 1 1 A 64 64 ASN HA H 64 4.434 4.352 0.082 1
1 828 . 13 1 1 A 64 64 ASN C C 64 177.490 177.034 0.456 1
1 829 . 13 1 1 A 64 64 ASN CA C 64 55.410 56.200 -0.790 1
1 830 . 13 1 1 A 64 64 ASN CB C 64 37.930 38.639 -0.709 1
1 831 . 13 1 1 A 64 64 ASN N N 64 120.200 120.426 -0.226 1
1 833 . 13 1 1 A 65 65 ALA H H 65 8.085 7.992 0.093 1
1 834 . 13 1 1 A 65 65 ALA HA H 65 4.864 4.013 0.851 1
1 838 . 13 1 1 A 65 65 ALA C C 65 178.180 179.374 -1.194 1
1 839 . 13 1 1 A 65 65 ALA CA C 65 54.700 55.039 -0.339 1
1 840 . 13 1 1 A 65 65 ALA CB C 65 19.950 18.088 1.862 1
1 841 . 13 1 1 A 65 65 ALA N N 65 125.150 121.910 3.240 1
1 842 . 13 1 1 A 66 66 LEU H H 66 8.083 8.101 -0.018 1
1 843 . 13 1 1 A 66 66 LEU HA H 66 3.560 4.083 -0.523 1
1 853 . 13 1 1 A 66 66 LEU C C 66 177.650 178.423 -0.773 1
1 854 . 13 1 1 A 66 66 LEU CA C 66 59.540 58.287 1.253 1
1 855 . 13 1 1 A 66 66 LEU CB C 66 42.020 41.557 0.463 1
1 859 . 13 1 1 A 66 66 LEU N N 66 118.670 119.565 -0.895 1
1 860 . 13 1 1 A 67 67 ARG H H 67 7.620 8.234 -0.614 1
1 861 . 13 1 1 A 67 67 ARG HA H 67 3.939 3.988 -0.049 1
1 868 . 13 1 1 A 67 67 ARG C C 67 178.960 178.819 0.141 1
1 869 . 13 1 1 A 67 67 ARG CA C 67 58.860 59.178 -0.318 1
1 870 . 13 1 1 A 67 67 ARG CB C 67 30.570 29.747 0.823 1
1 873 . 13 1 1 A 67 67 ARG N N 67 114.570 119.176 -4.606 1
1 874 . 13 1 1 A 68 68 THR H H 68 7.850 8.017 -0.167 1
1 875 . 13 1 1 A 68 68 THR HA H 68 4.040 3.686 0.354 1
1 880 . 13 1 1 A 68 68 THR C C 68 175.960 175.495 0.465 1
1 881 . 13 1 1 A 68 68 THR CA C 68 66.160 66.283 -0.123 1
1 882 . 13 1 1 A 68 68 THR CB C 68 69.260 67.529 1.731 1
1 884 . 13 1 1 A 68 68 THR N N 68 112.630 117.172 -4.542 1
1 885 . 13 1 1 A 69 69 MET H H 69 7.934 7.763 0.171 1
1 886 . 13 1 1 A 69 69 MET HA H 69 4.734 4.310 0.424 1
1 894 . 13 1 1 A 69 69 MET C C 69 175.820 175.831 -0.011 1
1 895 . 13 1 1 A 69 69 MET CA C 69 53.560 54.720 -1.160 1
1 896 . 13 1 1 A 69 69 MET CB C 69 29.730 31.417 -1.687 1
1 899 . 13 1 1 A 69 69 MET N N 69 115.080 115.978 -0.898 1
1 900 . 13 1 1 A 70 70 GLN H H 70 7.003 7.427 -0.424 1
1 901 . 13 1 1 A 70 70 GLN HA H 70 4.043 3.926 0.117 1
1 908 . 13 1 1 A 70 70 GLN C C 70 178.020 177.331 0.689 1
1 909 . 13 1 1 A 70 70 GLN CA C 70 57.710 58.034 -0.324 1
1 910 . 13 1 1 A 70 70 GLN CB C 70 30.080 28.247 1.833 1
1 912 . 13 1 1 A 70 70 GLN N N 70 120.730 120.444 0.286 1
1 914 . 13 1 1 A 71 71 GLY H H 71 8.693 8.647 0.046 1
1 915 . 13 1 1 A 71 71 GLY HA2 H 71 4.230 3.911 0.319 1
1 916 . 13 1 1 A 71 71 GLY HA3 H 71 3.817 3.915 -0.098 1
1 917 . 13 1 1 A 71 71 GLY C C 71 173.290 174.123 -0.833 1
1 918 . 13 1 1 A 71 71 GLY CA C 71 45.960 45.871 0.089 1
1 919 . 13 1 1 A 71 71 GLY N N 71 118.750 114.736 4.014 1
1 920 . 13 1 1 A 72 72 PHE H H 72 8.426 8.133 0.293 1
1 921 . 13 1 1 A 72 72 PHE HA H 72 4.641 4.528 0.113 1
1 926 . 13 1 1 A 72 72 PHE CA C 72 56.830 57.061 -0.231 1
1 927 . 13 1 1 A 72 72 PHE CB C 72 40.650 39.929 0.721 1
1 928 . 13 1 1 A 72 72 PHE N N 72 124.640 122.029 2.611 1
1 929 . 13 1 1 A 73 73 PRO HA H 73 4.052 4.719 -0.667 1
1 934 . 13 1 1 A 73 73 PRO C C 73 174.500 176.444 -1.944 1
1 935 . 13 1 1 A 73 73 PRO CA C 73 62.460 62.080 0.380 1
1 936 . 13 1 1 A 73 73 PRO CB C 73 30.700 28.927 1.773 1
1 939 . 13 1 1 A 74 74 PHE H H 74 8.382 8.603 -0.221 1
1 940 . 13 1 1 A 74 74 PHE HA H 74 4.235 4.328 -0.093 1
1 945 . 13 1 1 A 74 74 PHE C C 74 175.590 174.570 1.020 1
1 946 . 13 1 1 A 74 74 PHE CA C 74 56.440 61.811 -5.371 1
1 947 . 13 1 1 A 74 74 PHE CB C 74 42.540 39.847 2.693 1
1 950 . 13 1 1 A 74 74 PHE N N 74 128.220 123.544 4.676 1
1 951 . 13 1 1 A 75 75 TYR H H 75 9.185 7.914 1.271 1
1 952 . 13 1 1 A 75 75 TYR HA H 75 3.764 4.912 -1.148 1
1 957 . 13 1 1 A 75 75 TYR C C 75 175.210 175.548 -0.338 1
1 958 . 13 1 1 A 75 75 TYR CA C 75 60.780 57.064 3.716 1
1 959 . 13 1 1 A 75 75 TYR CB C 75 36.110 42.187 -6.077 1
1 962 . 13 1 1 A 75 75 TYR N N 75 128.090 115.325 12.765 1
1 963 . 13 1 1 A 76 76 ASP H H 76 8.306 9.107 -0.801 1
1 964 . 13 1 1 A 76 76 ASP HA H 76 4.075 4.690 -0.615 1
1 967 . 13 1 1 A 76 76 ASP C C 76 175.390 175.567 -0.177 1
1 968 . 13 1 1 A 76 76 ASP CA C 76 56.360 54.951 1.409 1
1 969 . 13 1 1 A 76 76 ASP CB C 76 40.510 40.733 -0.223 1
1 970 . 13 1 1 A 76 76 ASP N N 76 107.370 122.105 -14.735 1
1 971 . 13 1 1 A 77 77 LYS H H 77 7.687 7.680 0.007 1
1 972 . 13 1 1 A 77 77 LYS HA H 77 5.020 4.803 0.217 1
1 981 . 13 1 1 A 77 77 LYS CA C 77 53.450 52.756 0.694 1
1 982 . 13 1 1 A 77 77 LYS CB C 77 34.800 34.220 0.580 1
1 986 . 13 1 1 A 77 77 LYS N N 77 118.880 119.664 -0.784 1
1 987 . 13 1 1 A 78 78 PRO HA H 78 4.240 4.502 -0.262 1
1 994 . 13 1 1 A 78 78 PRO C C 78 177.470 177.083 0.387 1
1 995 . 13 1 1 A 78 78 PRO CA C 78 62.310 62.809 -0.499 1
1 996 . 13 1 1 A 78 78 PRO CB C 78 31.690 32.366 -0.676 1
1 999 . 13 1 1 A 79 79 MET H H 79 8.696 8.542 0.154 1
1 1000 . 13 1 1 A 79 79 MET HA H 79 4.289 4.586 -0.297 1
1 1008 . 13 1 1 A 79 79 MET C C 79 175.960 176.045 -0.085 1
1 1009 . 13 1 1 A 79 79 MET CA C 79 58.600 56.561 2.039 1
1 1010 . 13 1 1 A 79 79 MET CB C 79 35.200 33.631 1.569 1
1 1013 . 13 1 1 A 79 79 MET N N 79 126.540 121.943 4.597 1
1 1014 . 13 1 1 A 80 80 GLN H H 80 7.779 8.487 -0.708 1
1 1015 . 13 1 1 A 80 80 GLN HA H 80 4.855 5.331 -0.476 1
1 1022 . 13 1 1 A 80 80 GLN C C 80 174.820 174.678 0.142 1
1 1023 . 13 1 1 A 80 80 GLN CA C 80 54.550 54.220 0.330 1
1 1024 . 13 1 1 A 80 80 GLN CB C 80 29.320 31.669 -2.349 1
1 1026 . 13 1 1 A 80 80 GLN N N 80 122.810 119.341 3.469 1
1 1028 . 13 1 1 A 81 81 ILE H H 81 9.682 9.040 0.642 1
1 1029 . 13 1 1 A 81 81 ILE HA H 81 5.010 4.994 0.016 1
1 1039 . 13 1 1 A 81 81 ILE C C 81 174.710 174.614 0.096 1
1 1040 . 13 1 1 A 81 81 ILE CA C 81 60.900 59.983 0.917 1
1 1041 . 13 1 1 A 81 81 ILE CB C 81 40.120 42.201 -2.081 1
1 1045 . 13 1 1 A 81 81 ILE N N 81 126.070 123.482 2.588 1
1 1046 . 13 1 1 A 82 82 ALA H H 82 9.039 8.234 0.805 1
1 1047 . 13 1 1 A 82 82 ALA HA H 82 4.620 4.865 -0.245 1
1 1051 . 13 1 1 A 82 82 ALA C C 82 176.700 175.986 0.714 1
1 1052 . 13 1 1 A 82 82 ALA CA C 82 50.890 51.242 -0.352 1
1 1053 . 13 1 1 A 82 82 ALA CB C 82 23.420 23.091 0.329 1
1 1054 . 13 1 1 A 82 82 ALA N N 82 130.310 125.148 5.162 1
1 1055 . 13 1 1 A 83 83 TYR H H 83 8.411 8.770 -0.359 1
1 1056 . 13 1 1 A 83 83 TYR HA H 83 4.905 4.711 0.194 1
1 1061 . 13 1 1 A 83 83 TYR C C 83 176.900 175.578 1.322 1
1 1062 . 13 1 1 A 83 83 TYR CA C 83 59.280 57.676 1.604 1
1 1063 . 13 1 1 A 83 83 TYR CB C 83 39.350 40.117 -0.767 1
1 1065 . 13 1 1 A 83 83 TYR N N 83 118.580 119.342 -0.762 1
1 1066 . 13 1 1 A 84 84 SER H H 84 8.452 8.892 -0.440 1
1 1067 . 13 1 1 A 84 84 SER HA H 84 4.248 4.640 -0.392 1
1 1070 . 13 1 1 A 84 84 SER C C 84 174.220 174.266 -0.046 1
1 1071 . 13 1 1 A 84 84 SER CA C 84 58.560 59.600 -1.040 1
1 1072 . 13 1 1 A 84 84 SER CB C 84 64.100 64.256 -0.156 1
1 1073 . 13 1 1 A 84 84 SER N N 84 115.040 118.086 -3.046 1
1 1074 . 13 1 1 A 85 85 LYS H H 85 8.443 8.505 -0.062 1
1 1075 . 13 1 1 A 85 85 LYS HA H 85 4.275 4.566 -0.291 1
1 1080 . 13 1 1 A 85 85 LYS C C 85 177.080 175.751 1.329 1
1 1081 . 13 1 1 A 85 85 LYS CA C 85 56.960 55.010 1.950 1
1 1082 . 13 1 1 A 85 85 LYS CB C 85 33.150 32.581 0.569 1
1 1086 . 13 1 1 A 85 85 LYS N N 85 123.610 124.483 -0.873 1
1 1087 . 13 1 1 A 86 86 SER H H 86 8.204 7.505 0.699 1
1 1088 . 13 1 1 A 86 86 SER HA H 86 4.335 3.842 0.493 1
1 1090 . 13 1 1 A 86 86 SER C C 86 174.080 174.392 -0.312 1
1 1091 . 13 1 1 A 86 86 SER CA C 86 58.400 60.630 -2.230 1
1 1092 . 13 1 1 A 86 86 SER CB C 86 63.750 63.439 0.311 1
1 1093 . 13 1 1 A 86 86 SER N N 86 115.780 116.058 -0.278 1
1 1094 . 13 1 1 A 87 87 ASP H H 87 8.435 8.944 -0.509 1
1 1095 . 13 1 1 A 87 87 ASP HA H 87 4.578 4.218 0.360 1
1 1098 . 13 1 1 A 87 87 ASP C C 87 176.630 177.944 -1.314 1
1 1099 . 13 1 1 A 87 87 ASP CA C 87 54.260 58.044 -3.784 1
1 1100 . 13 1 1 A 87 87 ASP CB C 87 40.780 41.452 -0.672 1
1 1101 . 13 1 1 A 87 87 ASP N N 87 121.910 127.582 -5.672 1
1 1102 . 13 1 1 A 88 88 SER H H 88 8.061 8.064 -0.003 1
1 1103 . 13 1 1 A 88 88 SER HA H 88 4.328 4.145 0.183 1
1 1106 . 13 1 1 A 88 88 SER C C 88 174.840 175.915 -1.075 1
1 1107 . 13 1 1 A 88 88 SER CA C 88 58.800 61.498 -2.698 1
1 1108 . 13 1 1 A 88 88 SER CB C 88 63.870 62.837 1.033 1
1 1109 . 13 1 1 A 88 88 SER N N 88 116.440 115.959 0.481 1
1 1110 . 13 1 1 A 89 89 ASP H H 89 8.556 7.826 0.730 1
1 1111 . 13 1 1 A 89 89 ASP HA H 89 4.460 4.433 0.027 1
1 1114 . 13 1 1 A 89 89 ASP C C 89 177.450 178.416 -0.966 1
1 1115 . 13 1 1 A 89 89 ASP CA C 89 56.110 57.562 -1.452 1
1 1116 . 13 1 1 A 89 89 ASP CB C 89 40.500 41.068 -0.568 1
1 1117 . 13 1 1 A 89 89 ASP N N 89 123.080 121.481 1.599 1
1 1118 . 13 1 1 A 90 90 ILE H H 90 7.756 7.899 -0.143 1
1 1119 . 13 1 1 A 90 90 ILE HA H 90 3.829 3.738 0.091 1
1 1129 . 13 1 1 A 90 90 ILE C C 90 177.060 177.938 -0.878 1
1 1130 . 13 1 1 A 90 90 ILE CA C 90 63.070 64.362 -1.292 1
1 1131 . 13 1 1 A 90 90 ILE CB C 90 38.290 37.449 0.841 1
1 1135 . 13 1 1 A 90 90 ILE N N 90 119.250 118.016 1.234 1
1 1136 . 13 1 1 A 91 91 VAL H H 91 7.459 8.489 -1.030 1
1 1137 . 13 1 1 A 91 91 VAL HA H 91 3.613 3.556 0.057 1
1 1145 . 13 1 1 A 91 91 VAL C C 91 177.080 177.960 -0.880 1
1 1146 . 13 1 1 A 91 91 VAL CA C 91 65.250 66.578 -1.328 1
1 1147 . 13 1 1 A 91 91 VAL CB C 91 31.970 31.598 0.372 1
1 1150 . 13 1 1 A 91 91 VAL N N 91 121.040 122.140 -1.100 1
1 1151 . 13 1 1 A 92 92 ALA H H 92 8.076 8.178 -0.102 1
1 1152 . 13 1 1 A 92 92 ALA HA H 92 4.098 4.077 0.021 1
1 1156 . 13 1 1 A 92 92 ALA C C 92 179.510 180.009 -0.499 1
1 1157 . 13 1 1 A 92 92 ALA CA C 92 54.180 55.447 -1.267 1
1 1158 . 13 1 1 A 92 92 ALA CB C 92 18.660 18.256 0.404 1
1 1159 . 13 1 1 A 92 92 ALA N N 92 122.880 121.794 1.086 1
1 1160 . 13 1 1 A 93 93 LYS H H 93 7.946 8.081 -0.135 1
1 1161 . 13 1 1 A 93 93 LYS HA H 93 4.136 4.015 0.121 1
1 1170 . 13 1 1 A 93 93 LYS C C 93 178.300 179.659 -1.359 1
1 1171 . 13 1 1 A 93 93 LYS CA C 93 58.000 59.306 -1.306 1
1 1172 . 13 1 1 A 93 93 LYS CB C 93 32.550 32.150 0.400 1
1 1176 . 13 1 1 A 93 93 LYS N N 93 118.800 117.401 1.399 1
1 1177 . 13 1 1 A 94 94 ILE H H 94 7.894 7.733 0.161 1
1 1178 . 13 1 1 A 94 94 ILE HA H 94 3.906 3.887 0.019 1
1 1188 . 13 1 1 A 94 94 ILE C C 94 177.720 178.041 -0.321 1
1 1189 . 13 1 1 A 94 94 ILE CA C 94 63.200 62.934 0.266 1
1 1190 . 13 1 1 A 94 94 ILE CB C 94 38.330 37.117 1.213 1
1 1194 . 13 1 1 A 94 94 ILE N N 94 120.760 117.720 3.040 1
1 1195 . 13 1 1 A 95 95 LYS H H 95 8.310 7.946 0.364 1
1 1196 . 13 1 1 A 95 95 LYS HA H 95 4.083 4.156 -0.073 1
1 1205 . 13 1 1 A 95 95 LYS C C 95 177.660 176.713 0.947 1
1 1206 . 13 1 1 A 95 95 LYS CA C 95 57.930 56.670 1.260 1
1 1207 . 13 1 1 A 95 95 LYS CB C 95 32.860 32.855 0.005 1
1 1211 . 13 1 1 A 95 95 LYS N N 95 121.330 120.524 0.806 1
1 1212 . 13 1 1 A 96 96 GLY H H 96 8.122 7.857 0.265 1
1 1213 . 13 1 1 A 96 96 GLY HA2 H 96 3.999 4.057 -0.058 1
1 1214 . 13 1 1 A 96 96 GLY HA3 H 96 3.999 4.081 -0.082 1
1 1215 . 13 1 1 A 96 96 GLY C C 96 174.640 175.414 -0.774 1
1 1216 . 13 1 1 A 96 96 GLY CA C 96 45.660 45.551 0.109 1
1 1217 . 13 1 1 A 96 96 GLY N N 96 107.870 106.736 1.134 1
1 1218 . 13 1 1 A 97 97 THR H H 97 7.968 8.240 -0.272 1
1 1219 . 13 1 1 A 97 97 THR HA H 97 4.294 4.143 0.151 1
1 1224 . 13 1 1 A 97 97 THR C C 97 174.590 176.605 -2.015 1
1 1225 . 13 1 1 A 97 97 THR CA C 97 62.160 65.179 -3.019 1
1 1226 . 13 1 1 A 97 97 THR CB C 97 69.630 68.890 0.740 1
1 1228 . 13 1 1 A 97 97 THR N N 97 112.820 114.063 -1.243 1
1 1229 . 13 1 1 A 98 98 PHE H H 98 7.938 8.091 -0.153 1
1 1230 . 13 1 1 A 98 98 PHE HA H 98 4.552 4.109 0.443 1
1 1235 . 13 1 1 A 98 98 PHE C C 98 175.370 177.629 -2.259 1
1 1236 . 13 1 1 A 98 98 PHE CA C 98 58.150 60.763 -2.613 1
1 1237 . 13 1 1 A 98 98 PHE CB C 98 39.550 39.471 0.079 1
1 1239 . 13 1 1 A 98 98 PHE N N 98 122.400 123.718 -1.318 1
1 1240 . 13 1 1 A 99 99 LYS H H 99 7.986 8.197 -0.211 1
1 1241 . 13 1 1 A 99 99 LYS HA H 99 4.242 4.532 -0.290 1
1 1250 . 13 1 1 A 99 99 LYS C C 99 175.750 176.599 -0.849 1
1 1251 . 13 1 1 A 99 99 LYS CA C 99 56.030 57.398 -1.368 1
1 1252 . 13 1 1 A 99 99 LYS CB C 99 33.390 35.850 -2.460 1
1 1256 . 13 1 1 A 99 99 LYS N N 99 123.810 118.971 4.839 1
1 1257 . 13 1 1 A 100 100 GLU H H 100 8.247 8.220 0.027 1
1 1258 . 13 1 1 A 100 100 GLU HA H 100 4.202 4.433 -0.231 1
1 1263 . 13 1 1 A 100 100 GLU C C 100 176.210 176.553 -0.343 1
1 1264 . 13 1 1 A 100 100 GLU CA C 100 56.270 56.654 -0.384 1
1 1265 . 13 1 1 A 100 100 GLU CB C 100 30.550 30.633 -0.083 1
1 1267 . 13 1 1 A 100 100 GLU N N 100 122.270 119.597 2.673 1
1 1268 . 13 1 1 A 101 101 ARG H H 101 8.415 8.516 -0.101 1
1 1269 . 13 1 1 A 101 101 ARG HA H 101 4.590 4.298 0.292 1
1 1276 . 13 1 1 A 101 101 ARG CA C 101 53.980 54.831 -0.851 1
1 1277 . 13 1 1 A 101 101 ARG CB C 101 30.070 29.964 0.106 1
1 1280 . 13 1 1 A 101 101 ARG N N 101 123.970 121.241 2.729 1
1 1281 . 13 1 1 A 102 102 PRO HA H 102 4.421 4.473 -0.052 1
1 1288 . 13 1 1 A 102 102 PRO C C 102 176.700 176.275 0.425 1
1 1289 . 13 1 1 A 102 102 PRO CA C 102 63.090 64.032 -0.942 1
1 1290 . 13 1 1 A 102 102 PRO CB C 102 32.160 32.129 0.031 1
1 1293 . 13 1 1 A 103 103 LYS H H 103 8.445 7.381 1.064 1
1 1294 . 13 1 1 A 103 103 LYS HA H 103 4.294 4.892 -0.598 1
1 1303 . 13 1 1 A 103 103 LYS C C 103 175.690 174.520 1.170 1
1 1304 . 13 1 1 A 103 103 LYS CA C 103 56.380 55.764 0.616 1
1 1305 . 13 1 1 A 103 103 LYS CB C 103 33.150 35.956 -2.806 1
1 1309 . 13 1 1 A 103 103 LYS N N 103 122.480 115.696 6.784 1
1 1 . 14 1 1 A 2 2 GLU HA H 2 4.372 4.315 0.057 1
1 6 . 14 1 1 A 2 2 GLU C C 2 175.830 177.083 -1.253 1
1 7 . 14 1 1 A 2 2 GLU CA C 2 56.340 56.932 -0.592 1
1 8 . 14 1 1 A 2 2 GLU CB C 2 30.550 30.153 0.397 1
1 10 . 14 1 1 A 3 3 MET H H 3 8.529 8.862 -0.333 1
1 11 . 14 1 1 A 3 3 MET HA H 3 4.534 4.589 -0.055 1
1 19 . 14 1 1 A 3 3 MET C C 3 175.350 176.395 -1.045 1
1 20 . 14 1 1 A 3 3 MET CA C 3 54.950 55.293 -0.343 1
1 21 . 14 1 1 A 3 3 MET CB C 3 33.150 32.533 0.617 1
1 24 . 14 1 1 A 3 3 MET N N 3 122.340 121.224 1.116 1
1 25 . 14 1 1 A 4 4 LEU H H 4 8.265 7.946 0.319 1
1 26 . 14 1 1 A 4 4 LEU HA H 4 4.579 4.390 0.189 1
1 36 . 14 1 1 A 4 4 LEU CA C 4 52.620 53.084 -0.464 1
1 37 . 14 1 1 A 4 4 LEU CB C 4 41.780 40.479 1.301 1
1 41 . 14 1 1 A 4 4 LEU N N 4 125.280 124.132 1.148 1
1 42 . 14 1 1 A 5 5 PRO HA H 5 4.268 4.620 -0.352 1
1 49 . 14 1 1 A 5 5 PRO C C 5 175.390 175.161 0.229 1
1 50 . 14 1 1 A 5 5 PRO CA C 5 62.620 63.092 -0.472 1
1 51 . 14 1 1 A 5 5 PRO CB C 5 32.300 32.238 0.062 1
1 54 . 14 1 1 A 6 6 ASN H H 6 6.913 8.965 -2.052 1
1 55 . 14 1 1 A 6 6 ASN HA H 6 4.460 5.099 -0.639 1
1 60 . 14 1 1 A 6 6 ASN C C 6 172.390 175.288 -2.898 1
1 61 . 14 1 1 A 6 6 ASN CA C 6 52.920 52.704 0.216 1
1 62 . 14 1 1 A 6 6 ASN CB C 6 41.920 42.014 -0.094 1
1 63 . 14 1 1 A 6 6 ASN N N 6 117.610 120.687 -3.077 1
1 65 . 14 1 1 A 7 7 GLN H H 7 8.465 8.847 -0.382 1
1 66 . 14 1 1 A 7 7 GLN HA H 7 4.164 4.208 -0.044 1
1 73 . 14 1 1 A 7 7 GLN C C 7 175.020 175.750 -0.730 1
1 74 . 14 1 1 A 7 7 GLN CA C 7 58.100 57.794 0.306 1
1 75 . 14 1 1 A 7 7 GLN CB C 7 29.270 28.788 0.482 1
1 77 . 14 1 1 A 7 7 GLN N N 7 116.430 123.401 -6.971 1
1 79 . 14 1 1 A 8 8 THR H H 8 8.374 7.797 0.577 1
1 80 . 14 1 1 A 8 8 THR HA H 8 5.399 5.374 0.025 1
1 85 . 14 1 1 A 8 8 THR C C 8 173.700 174.127 -0.427 1
1 86 . 14 1 1 A 8 8 THR CA C 8 62.380 61.381 0.999 1
1 87 . 14 1 1 A 8 8 THR CB C 8 69.100 71.998 -2.898 1
1 89 . 14 1 1 A 8 8 THR N N 8 118.220 111.834 6.386 1
1 90 . 14 1 1 A 9 9 ILE H H 9 8.794 9.354 -0.560 1
1 91 . 14 1 1 A 9 9 ILE HA H 9 5.085 5.418 -0.333 1
1 101 . 14 1 1 A 9 9 ILE C C 9 173.490 173.795 -0.305 1
1 102 . 14 1 1 A 9 9 ILE CA C 9 59.000 59.394 -0.394 1
1 103 . 14 1 1 A 9 9 ILE CB C 9 39.710 42.355 -2.645 1
1 107 . 14 1 1 A 9 9 ILE N N 9 118.250 121.312 -3.062 1
1 108 . 14 1 1 A 10 10 TYR H H 10 9.384 9.237 0.147 1
1 109 . 14 1 1 A 10 10 TYR HA H 10 5.032 5.205 -0.173 1
1 116 . 14 1 1 A 10 10 TYR C C 10 173.920 173.579 0.341 1
1 117 . 14 1 1 A 10 10 TYR CA C 10 55.240 55.959 -0.719 1
1 118 . 14 1 1 A 10 10 TYR CB C 10 40.700 41.908 -1.208 1
1 123 . 14 1 1 A 10 10 TYR N N 10 124.310 124.988 -0.678 1
1 124 . 14 1 1 A 11 11 ILE H H 11 9.000 9.137 -0.137 1
1 125 . 14 1 1 A 11 11 ILE HA H 11 4.629 4.917 -0.288 1
1 135 . 14 1 1 A 11 11 ILE C C 11 180.280 174.393 5.887 1
1 136 . 14 1 1 A 11 11 ILE CA C 11 60.050 59.405 0.645 1
1 137 . 14 1 1 A 11 11 ILE CB C 11 40.350 40.221 0.129 1
1 141 . 14 1 1 A 11 11 ILE N N 11 126.640 127.826 -1.186 1
1 142 . 14 1 1 A 12 12 ASN H H 12 8.844 8.779 0.065 1
1 143 . 14 1 1 A 12 12 ASN HA H 12 5.267 4.994 0.273 1
1 148 . 14 1 1 A 12 12 ASN C C 12 174.640 175.048 -0.408 1
1 149 . 14 1 1 A 12 12 ASN CA C 12 50.860 51.148 -0.288 1
1 150 . 14 1 1 A 12 12 ASN CB C 12 41.400 42.133 -0.733 1
1 151 . 14 1 1 A 12 12 ASN N N 12 123.520 124.038 -0.518 1
1 153 . 14 1 1 A 13 13 ASN H H 13 8.689 8.909 -0.220 1
1 154 . 14 1 1 A 13 13 ASN HA H 13 4.456 4.312 0.144 1
1 159 . 14 1 1 A 13 13 ASN C C 13 176.140 175.180 0.960 1
1 160 . 14 1 1 A 13 13 ASN CA C 13 53.920 54.166 -0.246 1
1 161 . 14 1 1 A 13 13 ASN CB C 13 39.360 37.951 1.409 1
1 162 . 14 1 1 A 13 13 ASN N N 13 115.910 120.112 -4.202 1
1 164 . 14 1 1 A 14 14 LEU H H 14 8.221 8.080 0.141 1
1 165 . 14 1 1 A 14 14 LEU HA H 14 4.350 4.227 0.123 1
1 175 . 14 1 1 A 14 14 LEU C C 14 177.880 175.744 2.136 1
1 176 . 14 1 1 A 14 14 LEU CA C 14 54.000 55.408 -1.408 1
1 177 . 14 1 1 A 14 14 LEU CB C 14 42.830 43.203 -0.373 1
1 181 . 14 1 1 A 14 14 LEU N N 14 116.310 120.063 -3.753 1
1 182 . 14 1 1 A 15 15 ASN H H 15 9.226 8.710 0.516 1
1 183 . 14 1 1 A 15 15 ASN HA H 15 4.225 4.831 -0.606 1
1 188 . 14 1 1 A 15 15 ASN C C 15 176.150 176.820 -0.670 1
1 189 . 14 1 1 A 15 15 ASN CA C 15 54.210 53.080 1.130 1
1 190 . 14 1 1 A 15 15 ASN CB C 15 38.050 39.045 -0.995 1
1 191 . 14 1 1 A 15 15 ASN N N 15 120.300 123.746 -3.446 1
1 193 . 14 1 1 A 16 16 GLU H H 16 9.234 8.747 0.487 1
1 194 . 14 1 1 A 16 16 GLU HA H 16 4.110 4.075 0.035 1
1 199 . 14 1 1 A 16 16 GLU C C 16 176.510 177.725 -1.215 1
1 200 . 14 1 1 A 16 16 GLU CA C 16 57.800 58.451 -0.651 1
1 201 . 14 1 1 A 16 16 GLU CB C 16 29.300 28.853 0.447 1
1 203 . 14 1 1 A 16 16 GLU N N 16 128.160 125.789 2.371 1
1 204 . 14 1 1 A 17 17 LYS H H 17 8.421 8.230 0.191 1
1 205 . 14 1 1 A 17 17 LYS HA H 17 4.170 4.118 0.052 1
1 214 . 14 1 1 A 17 17 LYS C C 17 176.700 176.960 -0.260 1
1 215 . 14 1 1 A 17 17 LYS CA C 17 56.750 58.903 -2.153 1
1 216 . 14 1 1 A 17 17 LYS CB C 17 32.370 31.895 0.475 1
1 220 . 14 1 1 A 17 17 LYS N N 17 118.450 118.406 0.044 1
1 221 . 14 1 1 A 18 18 ILE H H 18 6.751 7.199 -0.448 1
1 222 . 14 1 1 A 18 18 ILE HA H 18 3.830 3.816 0.014 1
1 232 . 14 1 1 A 18 18 ILE C C 18 176.560 175.942 0.618 1
1 233 . 14 1 1 A 18 18 ILE CA C 18 58.640 62.014 -3.374 1
1 234 . 14 1 1 A 18 18 ILE CB C 18 35.940 37.944 -2.004 1
1 238 . 14 1 1 A 18 18 ILE N N 18 118.790 121.837 -3.047 1
1 239 . 14 1 1 A 19 19 LYS H H 19 8.815 8.580 0.235 1
1 240 . 14 1 1 A 19 19 LYS HA H 19 4.189 4.214 -0.025 1
1 249 . 14 1 1 A 19 19 LYS C C 19 178.340 177.793 0.547 1
1 250 . 14 1 1 A 19 19 LYS CA C 19 57.250 56.006 1.244 1
1 251 . 14 1 1 A 19 19 LYS CB C 19 32.800 33.664 -0.864 1
1 255 . 14 1 1 A 19 19 LYS N N 19 129.030 128.383 0.647 1
1 256 . 14 1 1 A 20 20 LYS H H 20 9.032 9.009 0.023 1
1 257 . 14 1 1 A 20 20 LYS HA H 20 3.854 3.876 -0.022 1
1 266 . 14 1 1 A 20 20 LYS C C 20 178.390 177.916 0.474 1
1 267 . 14 1 1 A 20 20 LYS CA C 20 59.740 60.517 -0.777 1
1 268 . 14 1 1 A 20 20 LYS CB C 20 31.390 32.085 -0.695 1
1 272 . 14 1 1 A 20 20 LYS N N 20 123.440 126.942 -3.502 1
1 273 . 14 1 1 A 21 21 GLU H H 21 9.341 8.055 1.286 1
1 274 . 14 1 1 A 21 21 GLU HA H 21 4.074 4.101 -0.027 1
1 279 . 14 1 1 A 21 21 GLU C C 21 179.120 179.410 -0.290 1
1 280 . 14 1 1 A 21 21 GLU CA C 21 60.270 59.422 0.848 1
1 281 . 14 1 1 A 21 21 GLU CB C 21 28.840 29.053 -0.213 1
1 283 . 14 1 1 A 21 21 GLU N N 21 117.890 118.182 -0.292 1
1 284 . 14 1 1 A 22 22 GLU H H 22 6.994 7.929 -0.935 1
1 285 . 14 1 1 A 22 22 GLU HA H 22 4.166 4.128 0.038 1
1 290 . 14 1 1 A 22 22 GLU C C 22 178.200 179.162 -0.962 1
1 291 . 14 1 1 A 22 22 GLU CA C 22 58.530 59.105 -0.575 1
1 292 . 14 1 1 A 22 22 GLU CB C 22 29.180 29.935 -0.755 1
1 294 . 14 1 1 A 22 22 GLU N N 22 119.810 120.275 -0.465 1
1 295 . 14 1 1 A 23 23 LEU H H 23 8.462 8.439 0.023 1
1 296 . 14 1 1 A 23 23 LEU HA H 23 3.981 4.224 -0.243 1
1 306 . 14 1 1 A 23 23 LEU C C 23 178.780 178.487 0.293 1
1 307 . 14 1 1 A 23 23 LEU CA C 23 58.840 58.339 0.501 1
1 308 . 14 1 1 A 23 23 LEU CB C 23 42.420 41.991 0.429 1
1 312 . 14 1 1 A 23 23 LEU N N 23 121.220 121.694 -0.474 1
1 313 . 14 1 1 A 24 24 LYS H H 24 8.411 8.530 -0.119 1
1 314 . 14 1 1 A 24 24 LYS HA H 24 3.808 4.019 -0.211 1
1 323 . 14 1 1 A 24 24 LYS C C 24 178.200 178.953 -0.753 1
1 324 . 14 1 1 A 24 24 LYS CA C 24 61.500 59.778 1.722 1
1 325 . 14 1 1 A 24 24 LYS CB C 24 32.500 32.461 0.039 1
1 329 . 14 1 1 A 24 24 LYS N N 24 116.620 118.987 -2.367 1
1 330 . 14 1 1 A 25 25 LYS H H 25 7.592 8.185 -0.593 1
1 331 . 14 1 1 A 25 25 LYS HA H 25 4.181 4.200 -0.019 1
1 340 . 14 1 1 A 25 25 LYS C C 25 180.280 179.267 1.013 1
1 341 . 14 1 1 A 25 25 LYS CA C 25 60.140 59.313 0.827 1
1 342 . 14 1 1 A 25 25 LYS CB C 25 32.690 32.258 0.432 1
1 346 . 14 1 1 A 25 25 LYS N N 25 118.830 119.718 -0.888 1
1 347 . 14 1 1 A 26 26 SER H H 26 8.845 8.473 0.372 1
1 348 . 14 1 1 A 26 26 SER HA H 26 4.570 4.205 0.365 1
1 351 . 14 1 1 A 26 26 SER C C 26 176.880 176.893 -0.013 1
1 352 . 14 1 1 A 26 26 SER CA C 26 62.210 62.716 -0.506 1
1 353 . 14 1 1 A 26 26 SER CB C 26 63.320 62.787 0.533 1
1 354 . 14 1 1 A 26 26 SER N N 26 117.880 117.668 0.212 1
1 355 . 14 1 1 A 27 27 LEU H H 27 9.040 8.662 0.378 1
1 356 . 14 1 1 A 27 27 LEU HA H 27 4.190 4.274 -0.084 1
1 366 . 14 1 1 A 27 27 LEU C C 27 179.100 179.052 0.048 1
1 367 . 14 1 1 A 27 27 LEU CA C 27 57.960 57.987 -0.027 1
1 368 . 14 1 1 A 27 27 LEU CB C 27 43.030 42.087 0.943 1
1 372 . 14 1 1 A 27 27 LEU N N 27 122.840 121.470 1.370 1
1 373 . 14 1 1 A 28 28 TYR H H 28 8.535 8.603 -0.068 1
1 374 . 14 1 1 A 28 28 TYR HA H 28 3.826 4.113 -0.287 1
1 379 . 14 1 1 A 28 28 TYR C C 28 178.360 178.515 -0.155 1
1 380 . 14 1 1 A 28 28 TYR CA C 28 63.220 62.267 0.953 1
1 381 . 14 1 1 A 28 28 TYR CB C 28 38.320 38.632 -0.312 1
1 384 . 14 1 1 A 28 28 TYR N N 28 121.030 119.465 1.565 1
1 385 . 14 1 1 A 29 29 ALA H H 29 8.009 8.345 -0.336 1
1 386 . 14 1 1 A 29 29 ALA HA H 29 3.364 4.157 -0.793 1
1 390 . 14 1 1 A 29 29 ALA CA C 29 55.420 54.822 0.598 1
1 391 . 14 1 1 A 29 29 ALA CB C 29 18.920 18.914 0.006 1
1 392 . 14 1 1 A 29 29 ALA N N 29 120.570 121.513 -0.943 1
1 393 . 14 1 1 A 30 30 ILE HA H 30 4.048 4.166 -0.118 1
1 403 . 14 1 1 A 30 30 ILE C C 30 177.270 177.784 -0.514 1
1 404 . 14 1 1 A 30 30 ILE CA C 30 63.380 63.189 0.191 1
1 405 . 14 1 1 A 30 30 ILE CB C 30 38.850 39.493 -0.643 1
1 409 . 14 1 1 A 31 31 PHE H H 31 8.446 8.795 -0.349 1
1 410 . 14 1 1 A 31 31 PHE HA H 31 4.900 4.403 0.497 1
1 415 . 14 1 1 A 31 31 PHE C C 31 177.820 178.144 -0.324 1
1 416 . 14 1 1 A 31 31 PHE CA C 31 62.380 60.877 1.503 1
1 417 . 14 1 1 A 31 31 PHE CB C 31 38.900 38.136 0.764 1
1 418 . 14 1 1 A 31 31 PHE N N 31 115.770 119.525 -3.755 1
1 419 . 14 1 1 A 32 32 SER H H 32 8.392 8.006 0.386 1
1 420 . 14 1 1 A 32 32 SER HA H 32 4.365 4.298 0.067 1
1 423 . 14 1 1 A 32 32 SER C C 32 176.140 176.616 -0.476 1
1 424 . 14 1 1 A 32 32 SER CA C 32 61.680 62.136 -0.456 1
1 425 . 14 1 1 A 32 32 SER CB C 32 62.460 62.797 -0.337 1
1 426 . 14 1 1 A 32 32 SER N N 32 116.890 116.142 0.748 1
1 427 . 14 1 1 A 33 33 GLN H H 33 7.310 7.937 -0.627 1
1 428 . 14 1 1 A 33 33 GLN HA H 33 4.059 3.935 0.124 1
1 435 . 14 1 1 A 33 33 GLN C C 33 176.330 176.571 -0.241 1
1 436 . 14 1 1 A 33 33 GLN CA C 33 57.220 57.708 -0.488 1
1 437 . 14 1 1 A 33 33 GLN CB C 33 28.040 28.603 -0.563 1
1 439 . 14 1 1 A 33 33 GLN N N 33 117.530 119.849 -2.319 1
1 441 . 14 1 1 A 34 34 PHE H H 34 7.626 7.752 -0.126 1
1 442 . 14 1 1 A 34 34 PHE HA H 34 4.435 4.642 -0.207 1
1 447 . 14 1 1 A 34 34 PHE C C 34 175.590 176.514 -0.924 1
1 448 . 14 1 1 A 34 34 PHE CA C 34 59.410 58.360 1.050 1
1 449 . 14 1 1 A 34 34 PHE CB C 34 39.380 40.680 -1.300 1
1 452 . 14 1 1 A 34 34 PHE N N 34 116.090 116.010 0.080 1
1 453 . 14 1 1 A 35 35 GLY H H 35 7.595 7.492 0.103 1
1 454 . 14 1 1 A 35 35 GLY HA2 H 35 3.960 4.023 -0.063 1
1 455 . 14 1 1 A 35 35 GLY HA3 H 35 4.612 4.118 0.494 1
1 456 . 14 1 1 A 35 35 GLY C C 35 170.890 174.430 -3.540 1
1 457 . 14 1 1 A 35 35 GLY CA C 35 44.160 45.554 -1.394 1
1 458 . 14 1 1 A 35 35 GLY N N 35 107.470 105.742 1.728 1
1 459 . 14 1 1 A 36 36 GLN H H 36 8.404 8.119 0.285 1
1 460 . 14 1 1 A 36 36 GLN HA H 36 4.275 4.108 0.167 1
1 467 . 14 1 1 A 36 36 GLN C C 36 176.650 175.229 1.421 1
1 468 . 14 1 1 A 36 36 GLN CA C 36 57.180 56.663 0.517 1
1 469 . 14 1 1 A 36 36 GLN CB C 36 29.360 27.628 1.732 1
1 471 . 14 1 1 A 36 36 GLN N N 36 116.620 118.466 -1.846 1
1 473 . 14 1 1 A 37 37 ILE H H 37 9.009 8.288 0.721 1
1 474 . 14 1 1 A 37 37 ILE HA H 37 4.068 3.726 0.342 1
1 484 . 14 1 1 A 37 37 ILE C C 37 176.530 175.799 0.731 1
1 485 . 14 1 1 A 37 37 ILE CA C 37 61.270 62.501 -1.231 1
1 486 . 14 1 1 A 37 37 ILE CB C 37 40.600 37.914 2.686 1
1 490 . 14 1 1 A 37 37 ILE N N 37 129.370 127.196 2.174 1
1 491 . 14 1 1 A 38 38 LEU H H 38 9.472 9.346 0.126 1
1 492 . 14 1 1 A 38 38 LEU HA H 38 4.291 4.595 -0.304 1
1 502 . 14 1 1 A 38 38 LEU C C 38 176.900 175.321 1.579 1
1 503 . 14 1 1 A 38 38 LEU CA C 38 56.520 55.936 0.584 1
1 504 . 14 1 1 A 38 38 LEU CB C 38 42.030 44.700 -2.670 1
1 508 . 14 1 1 A 38 38 LEU N N 38 128.180 129.327 -1.147 1
1 509 . 14 1 1 A 39 39 ASP H H 39 7.493 7.612 -0.119 1
1 510 . 14 1 1 A 39 39 ASP HA H 39 4.715 4.940 -0.225 1
1 513 . 14 1 1 A 39 39 ASP C C 39 173.560 173.752 -0.192 1
1 514 . 14 1 1 A 39 39 ASP CA C 39 53.510 53.489 0.021 1
1 515 . 14 1 1 A 39 39 ASP CB C 39 44.160 43.734 0.426 1
1 516 . 14 1 1 A 39 39 ASP N N 39 114.640 117.215 -2.575 1
1 517 . 14 1 1 A 40 40 ILE H H 40 8.537 8.521 0.016 1
1 518 . 14 1 1 A 40 40 ILE HA H 40 4.722 4.812 -0.090 1
1 528 . 14 1 1 A 40 40 ILE C C 40 174.090 175.027 -0.937 1
1 529 . 14 1 1 A 40 40 ILE CA C 40 61.060 59.881 1.179 1
1 530 . 14 1 1 A 40 40 ILE CB C 40 41.220 42.329 -1.109 1
1 534 . 14 1 1 A 40 40 ILE N N 40 119.670 121.927 -2.257 1
1 535 . 14 1 1 A 41 41 VAL H H 41 8.807 8.898 -0.091 1
1 536 . 14 1 1 A 41 41 VAL HA H 41 4.195 4.748 -0.553 1
1 544 . 14 1 1 A 41 41 VAL C C 41 174.470 174.526 -0.056 1
1 545 . 14 1 1 A 41 41 VAL CA C 41 61.020 61.722 -0.702 1
1 546 . 14 1 1 A 41 41 VAL CB C 41 34.160 33.936 0.224 1
1 549 . 14 1 1 A 41 41 VAL N N 41 127.000 126.275 0.725 1
1 550 . 14 1 1 A 42 42 ALA H H 42 8.708 8.987 -0.279 1
1 551 . 14 1 1 A 42 42 ALA HA H 42 4.796 5.131 -0.335 1
1 555 . 14 1 1 A 42 42 ALA C C 42 175.210 175.439 -0.229 1
1 556 . 14 1 1 A 42 42 ALA CA C 42 51.430 51.213 0.217 1
1 557 . 14 1 1 A 42 42 ALA CB C 42 19.780 24.232 -4.452 1
1 558 . 14 1 1 A 42 42 ALA N N 42 130.100 128.458 1.642 1
1 559 . 14 1 1 A 43 43 LEU H H 43 8.224 9.045 -0.821 1
1 560 . 14 1 1 A 43 43 LEU HA H 43 4.575 4.929 -0.354 1
1 570 . 14 1 1 A 43 43 LEU CA C 43 54.620 53.591 1.029 1
1 571 . 14 1 1 A 43 43 LEU CB C 43 43.640 46.202 -2.562 1
1 575 . 14 1 1 A 43 43 LEU N N 43 122.270 119.505 2.765 1
1 576 . 14 1 1 A 44 44 LYS HA H 44 4.570 4.143 0.427 1
1 585 . 14 1 1 A 44 44 LYS CA C 44 56.000 58.459 -2.459 1
1 586 . 14 1 1 A 44 44 LYS CB C 44 32.940 32.340 0.600 1
1 590 . 14 1 1 A 45 45 THR H H 45 7.706 7.399 0.307 1
1 591 . 14 1 1 A 45 45 THR HA H 45 4.494 4.224 0.270 1
1 596 . 14 1 1 A 45 45 THR CA C 45 60.500 61.921 -1.421 1
1 597 . 14 1 1 A 45 45 THR CB C 45 70.450 69.828 0.622 1
1 599 . 14 1 1 A 45 45 THR N N 45 113.650 113.749 -0.099 1
1 600 . 14 1 1 A 46 46 LEU HA H 46 4.142 3.965 0.177 1
1 610 . 14 1 1 A 46 46 LEU C C 46 179.030 177.782 1.248 1
1 611 . 14 1 1 A 46 46 LEU CA C 46 57.630 58.955 -1.325 1
1 612 . 14 1 1 A 46 46 LEU CB C 46 42.020 42.091 -0.071 1
1 616 . 14 1 1 A 47 47 LYS H H 47 8.325 8.194 0.131 1
1 617 . 14 1 1 A 47 47 LYS HA H 47 4.139 4.038 0.101 1
1 626 . 14 1 1 A 47 47 LYS C C 47 176.700 178.470 -1.770 1
1 627 . 14 1 1 A 47 47 LYS CA C 47 57.800 59.445 -1.645 1
1 628 . 14 1 1 A 47 47 LYS CB C 47 32.440 32.128 0.312 1
1 632 . 14 1 1 A 47 47 LYS N N 47 116.870 118.740 -1.870 1
1 633 . 14 1 1 A 48 48 MET H H 48 7.649 8.082 -0.433 1
1 634 . 14 1 1 A 48 48 MET HA H 48 4.581 4.560 0.021 1
1 642 . 14 1 1 A 48 48 MET C C 48 175.550 176.579 -1.029 1
1 643 . 14 1 1 A 48 48 MET CA C 48 54.970 54.978 -0.008 1
1 644 . 14 1 1 A 48 48 MET CB C 48 32.770 31.608 1.162 1
1 647 . 14 1 1 A 48 48 MET N N 48 116.090 117.033 -0.943 1
1 648 . 14 1 1 A 49 49 ARG H H 49 7.653 8.012 -0.359 1
1 649 . 14 1 1 A 49 49 ARG HA H 49 4.377 4.583 -0.206 1
1 656 . 14 1 1 A 49 49 ARG C C 49 177.450 177.984 -0.534 1
1 657 . 14 1 1 A 49 49 ARG CA C 49 57.250 56.912 0.338 1
1 658 . 14 1 1 A 49 49 ARG CB C 49 30.400 32.293 -1.893 1
1 661 . 14 1 1 A 49 49 ARG N N 49 119.580 120.292 -0.712 1
1 662 . 14 1 1 A 50 50 GLY H H 50 9.177 8.122 1.055 1
1 663 . 14 1 1 A 50 50 GLY HA2 H 50 3.960 3.967 -0.007 1
1 664 . 14 1 1 A 50 50 GLY HA3 H 50 4.107 3.970 0.137 1
1 665 . 14 1 1 A 50 50 GLY C C 50 172.960 173.759 -0.799 1
1 666 . 14 1 1 A 50 50 GLY CA C 50 46.140 45.453 0.687 1
1 667 . 14 1 1 A 50 50 GLY N N 50 111.640 106.770 4.870 1
1 668 . 14 1 1 A 51 51 GLN H H 51 7.853 7.379 0.474 1
1 669 . 14 1 1 A 51 51 GLN HA H 51 5.516 4.915 0.601 1
1 675 . 14 1 1 A 51 51 GLN C C 51 174.800 174.271 0.529 1
1 676 . 14 1 1 A 51 51 GLN CA C 51 54.160 53.751 0.409 1
1 677 . 14 1 1 A 51 51 GLN CB C 51 34.330 33.008 1.322 1
1 679 . 14 1 1 A 51 51 GLN N N 51 117.000 118.534 -1.534 1
1 681 . 14 1 1 A 52 52 ALA H H 52 8.765 8.286 0.479 1
1 682 . 14 1 1 A 52 52 ALA HA H 52 5.098 4.868 0.230 1
1 686 . 14 1 1 A 52 52 ALA C C 52 174.820 175.217 -0.397 1
1 687 . 14 1 1 A 52 52 ALA CA C 52 51.170 51.230 -0.060 1
1 688 . 14 1 1 A 52 52 ALA CB C 52 23.350 23.604 -0.254 1
1 689 . 14 1 1 A 52 52 ALA N N 52 121.050 121.330 -0.280 1
1 690 . 14 1 1 A 53 53 PHE H H 53 8.840 8.783 0.057 1
1 691 . 14 1 1 A 53 53 PHE HA H 53 5.615 5.590 0.025 1
1 696 . 14 1 1 A 53 53 PHE C C 53 174.870 174.556 0.314 1
1 697 . 14 1 1 A 53 53 PHE CA C 53 55.770 56.472 -0.702 1
1 698 . 14 1 1 A 53 53 PHE CB C 53 41.530 43.660 -2.130 1
1 701 . 14 1 1 A 53 53 PHE N N 53 115.860 115.830 0.030 1
1 702 . 14 1 1 A 54 54 VAL H H 54 8.766 8.644 0.122 1
1 703 . 14 1 1 A 54 54 VAL HA H 54 4.169 4.622 -0.453 1
1 711 . 14 1 1 A 54 54 VAL C C 54 173.330 173.510 -0.180 1
1 712 . 14 1 1 A 54 54 VAL CA C 54 61.920 60.290 1.630 1
1 713 . 14 1 1 A 54 54 VAL CB C 54 32.860 35.059 -2.199 1
1 716 . 14 1 1 A 54 54 VAL N N 54 121.920 118.916 3.004 1
1 717 . 14 1 1 A 55 55 ILE H H 55 8.319 9.030 -0.711 1
1 718 . 14 1 1 A 55 55 ILE HA H 55 4.512 5.343 -0.831 1
1 728 . 14 1 1 A 55 55 ILE C C 55 173.920 174.558 -0.638 1
1 729 . 14 1 1 A 55 55 ILE CA C 55 60.880 59.875 1.005 1
1 730 . 14 1 1 A 55 55 ILE CB C 55 39.130 39.970 -0.840 1
1 734 . 14 1 1 A 55 55 ILE N N 55 126.350 127.673 -1.323 1
1 735 . 14 1 1 A 56 56 PHE H H 56 9.009 8.938 0.071 1
1 736 . 14 1 1 A 56 56 PHE HA H 56 4.889 4.973 -0.084 1
1 741 . 14 1 1 A 56 56 PHE C C 56 175.180 175.907 -0.727 1
1 742 . 14 1 1 A 56 56 PHE CA C 56 59.030 57.069 1.961 1
1 743 . 14 1 1 A 56 56 PHE CB C 56 40.320 43.170 -2.850 1
1 744 . 14 1 1 A 56 56 PHE N N 56 126.440 125.290 1.150 1
1 745 . 14 1 1 A 57 57 LYS H H 57 8.191 8.880 -0.689 1
1 746 . 14 1 1 A 57 57 LYS HA H 57 3.969 4.094 -0.125 1
1 755 . 14 1 1 A 57 57 LYS C C 57 176.140 175.644 0.496 1
1 756 . 14 1 1 A 57 57 LYS CA C 57 59.290 59.124 0.166 1
1 757 . 14 1 1 A 57 57 LYS CB C 57 33.850 32.747 1.103 1
1 761 . 14 1 1 A 57 57 LYS N N 57 119.130 122.591 -3.461 1
1 762 . 14 1 1 A 58 58 GLU H H 58 8.614 7.980 0.634 1
1 763 . 14 1 1 A 58 58 GLU HA H 58 4.850 4.664 0.186 1
1 768 . 14 1 1 A 58 58 GLU C C 58 177.130 176.236 0.894 1
1 769 . 14 1 1 A 58 58 GLU CA C 58 54.130 55.607 -1.477 1
1 770 . 14 1 1 A 58 58 GLU CB C 58 32.230 32.953 -0.723 1
1 772 . 14 1 1 A 58 58 GLU N N 58 114.350 117.697 -3.347 1
1 773 . 14 1 1 A 59 59 ILE H H 59 8.825 8.742 0.083 1
1 774 . 14 1 1 A 59 59 ILE HA H 59 3.499 3.837 -0.338 1
1 784 . 14 1 1 A 59 59 ILE C C 59 177.650 178.139 -0.489 1
1 785 . 14 1 1 A 59 59 ILE CA C 59 65.660 64.277 1.383 1
1 786 . 14 1 1 A 59 59 ILE CB C 59 38.040 37.693 0.347 1
1 790 . 14 1 1 A 59 59 ILE N N 59 122.940 123.254 -0.314 1
1 791 . 14 1 1 A 60 60 GLY H H 60 8.875 8.486 0.389 1
1 792 . 14 1 1 A 60 60 GLY HA2 H 60 3.780 3.800 -0.020 1
1 793 . 14 1 1 A 60 60 GLY HA3 H 60 3.925 3.812 0.113 1
1 794 . 14 1 1 A 60 60 GLY C C 60 176.700 176.460 0.240 1
1 795 . 14 1 1 A 60 60 GLY CA C 60 47.070 47.504 -0.434 1
1 796 . 14 1 1 A 60 60 GLY N N 60 106.980 110.578 -3.598 1
1 797 . 14 1 1 A 61 61 SER H H 61 6.973 7.956 -0.983 1
1 798 . 14 1 1 A 61 61 SER HA H 61 4.141 4.283 -0.142 1
1 801 . 14 1 1 A 61 61 SER C C 61 174.060 176.208 -2.148 1
1 802 . 14 1 1 A 61 61 SER CA C 61 61.870 62.615 -0.745 1
1 803 . 14 1 1 A 61 61 SER CB C 61 63.150 62.861 0.289 1
1 804 . 14 1 1 A 61 61 SER N N 61 116.200 119.343 -3.143 1
1 805 . 14 1 1 A 62 62 ALA H H 62 6.786 8.489 -1.703 1
1 806 . 14 1 1 A 62 62 ALA HA H 62 3.370 3.235 0.135 1
1 810 . 14 1 1 A 62 62 ALA C C 62 178.960 179.159 -0.199 1
1 811 . 14 1 1 A 62 62 ALA CA C 62 55.370 55.015 0.355 1
1 812 . 14 1 1 A 62 62 ALA CB C 62 19.030 18.494 0.536 1
1 813 . 14 1 1 A 62 62 ALA N N 62 123.660 123.847 -0.187 1
1 814 . 14 1 1 A 63 63 SER H H 63 8.379 8.075 0.304 1
1 815 . 14 1 1 A 63 63 SER HA H 63 4.551 4.125 0.426 1
1 818 . 14 1 1 A 63 63 SER C C 63 177.040 176.151 0.889 1
1 819 . 14 1 1 A 63 63 SER CA C 63 61.000 61.725 -0.725 1
1 820 . 14 1 1 A 63 63 SER CB C 63 63.090 62.789 0.301 1
1 821 . 14 1 1 A 63 63 SER N N 63 111.560 112.848 -1.288 1
1 822 . 14 1 1 A 64 64 ASN H H 64 7.737 8.262 -0.525 1
1 823 . 14 1 1 A 64 64 ASN HA H 64 4.434 4.373 0.061 1
1 828 . 14 1 1 A 64 64 ASN C C 64 177.490 177.220 0.270 1
1 829 . 14 1 1 A 64 64 ASN CA C 64 55.410 56.347 -0.937 1
1 830 . 14 1 1 A 64 64 ASN CB C 64 37.930 38.649 -0.719 1
1 831 . 14 1 1 A 64 64 ASN N N 64 120.200 120.502 -0.302 1
1 833 . 14 1 1 A 65 65 ALA H H 65 8.085 7.862 0.223 1
1 834 . 14 1 1 A 65 65 ALA HA H 65 4.864 3.962 0.902 1
1 838 . 14 1 1 A 65 65 ALA C C 65 178.180 179.491 -1.311 1
1 839 . 14 1 1 A 65 65 ALA CA C 65 54.700 54.963 -0.263 1
1 840 . 14 1 1 A 65 65 ALA CB C 65 19.950 17.885 2.065 1
1 841 . 14 1 1 A 65 65 ALA N N 65 125.150 121.635 3.515 1
1 842 . 14 1 1 A 66 66 LEU H H 66 8.083 8.155 -0.072 1
1 843 . 14 1 1 A 66 66 LEU HA H 66 3.560 4.073 -0.513 1
1 853 . 14 1 1 A 66 66 LEU C C 66 177.650 178.341 -0.691 1
1 854 . 14 1 1 A 66 66 LEU CA C 66 59.540 58.456 1.084 1
1 855 . 14 1 1 A 66 66 LEU CB C 66 42.020 41.627 0.393 1
1 859 . 14 1 1 A 66 66 LEU N N 66 118.670 119.563 -0.893 1
1 860 . 14 1 1 A 67 67 ARG H H 67 7.620 8.283 -0.663 1
1 861 . 14 1 1 A 67 67 ARG HA H 67 3.939 3.985 -0.046 1
1 868 . 14 1 1 A 67 67 ARG C C 67 178.960 178.746 0.214 1
1 869 . 14 1 1 A 67 67 ARG CA C 67 58.860 59.455 -0.595 1
1 870 . 14 1 1 A 67 67 ARG CB C 67 30.570 29.718 0.852 1
1 873 . 14 1 1 A 67 67 ARG N N 67 114.570 117.817 -3.247 1
1 874 . 14 1 1 A 68 68 THR H H 68 7.850 8.057 -0.207 1
1 875 . 14 1 1 A 68 68 THR HA H 68 4.040 3.725 0.315 1
1 880 . 14 1 1 A 68 68 THR C C 68 175.960 175.442 0.518 1
1 881 . 14 1 1 A 68 68 THR CA C 68 66.160 66.342 -0.182 1
1 882 . 14 1 1 A 68 68 THR CB C 68 69.260 67.849 1.411 1
1 884 . 14 1 1 A 68 68 THR N N 68 112.630 118.262 -5.632 1
1 885 . 14 1 1 A 69 69 MET H H 69 7.934 7.759 0.175 1
1 886 . 14 1 1 A 69 69 MET HA H 69 4.734 4.258 0.476 1
1 894 . 14 1 1 A 69 69 MET C C 69 175.820 175.863 -0.043 1
1 895 . 14 1 1 A 69 69 MET CA C 69 53.560 54.751 -1.191 1
1 896 . 14 1 1 A 69 69 MET CB C 69 29.730 31.703 -1.973 1
1 899 . 14 1 1 A 69 69 MET N N 69 115.080 115.906 -0.826 1
1 900 . 14 1 1 A 70 70 GLN H H 70 7.003 7.523 -0.520 1
1 901 . 14 1 1 A 70 70 GLN HA H 70 4.043 3.931 0.112 1
1 908 . 14 1 1 A 70 70 GLN C C 70 178.020 177.301 0.719 1
1 909 . 14 1 1 A 70 70 GLN CA C 70 57.710 58.072 -0.362 1
1 910 . 14 1 1 A 70 70 GLN CB C 70 30.080 28.282 1.798 1
1 912 . 14 1 1 A 70 70 GLN N N 70 120.730 120.412 0.318 1
1 914 . 14 1 1 A 71 71 GLY H H 71 8.693 8.670 0.023 1
1 915 . 14 1 1 A 71 71 GLY HA2 H 71 4.230 3.903 0.327 1
1 916 . 14 1 1 A 71 71 GLY HA3 H 71 3.817 3.908 -0.091 1
1 917 . 14 1 1 A 71 71 GLY C C 71 173.290 174.094 -0.804 1
1 918 . 14 1 1 A 71 71 GLY CA C 71 45.960 45.743 0.217 1
1 919 . 14 1 1 A 71 71 GLY N N 71 118.750 114.752 3.998 1
1 920 . 14 1 1 A 72 72 PHE H H 72 8.426 8.153 0.273 1
1 921 . 14 1 1 A 72 72 PHE HA H 72 4.641 4.524 0.117 1
1 926 . 14 1 1 A 72 72 PHE CA C 72 56.830 57.053 -0.223 1
1 927 . 14 1 1 A 72 72 PHE CB C 72 40.650 39.965 0.685 1
1 928 . 14 1 1 A 72 72 PHE N N 72 124.640 122.007 2.633 1
1 929 . 14 1 1 A 73 73 PRO HA H 73 4.052 4.722 -0.670 1
1 934 . 14 1 1 A 73 73 PRO C C 73 174.500 176.402 -1.902 1
1 935 . 14 1 1 A 73 73 PRO CA C 73 62.460 62.097 0.363 1
1 936 . 14 1 1 A 73 73 PRO CB C 73 30.700 28.904 1.796 1
1 939 . 14 1 1 A 74 74 PHE H H 74 8.382 8.656 -0.274 1
1 940 . 14 1 1 A 74 74 PHE HA H 74 4.235 4.434 -0.199 1
1 945 . 14 1 1 A 74 74 PHE C C 74 175.590 174.696 0.894 1
1 946 . 14 1 1 A 74 74 PHE CA C 74 56.440 61.638 -5.198 1
1 947 . 14 1 1 A 74 74 PHE CB C 74 42.540 39.949 2.591 1
1 950 . 14 1 1 A 74 74 PHE N N 74 128.220 123.846 4.374 1
1 951 . 14 1 1 A 75 75 TYR H H 75 9.185 7.907 1.278 1
1 952 . 14 1 1 A 75 75 TYR HA H 75 3.764 4.949 -1.185 1
1 957 . 14 1 1 A 75 75 TYR C C 75 175.210 175.454 -0.244 1
1 958 . 14 1 1 A 75 75 TYR CA C 75 60.780 56.921 3.859 1
1 959 . 14 1 1 A 75 75 TYR CB C 75 36.110 42.470 -6.360 1
1 962 . 14 1 1 A 75 75 TYR N N 75 128.090 115.484 12.606 1
1 963 . 14 1 1 A 76 76 ASP H H 76 8.306 9.122 -0.816 1
1 964 . 14 1 1 A 76 76 ASP HA H 76 4.075 4.680 -0.605 1
1 967 . 14 1 1 A 76 76 ASP C C 76 175.390 175.565 -0.175 1
1 968 . 14 1 1 A 76 76 ASP CA C 76 56.360 54.946 1.414 1
1 969 . 14 1 1 A 76 76 ASP CB C 76 40.510 40.739 -0.229 1
1 970 . 14 1 1 A 76 76 ASP N N 76 107.370 122.047 -14.677 1
1 971 . 14 1 1 A 77 77 LYS H H 77 7.687 7.681 0.006 1
1 972 . 14 1 1 A 77 77 LYS HA H 77 5.020 4.797 0.223 1
1 981 . 14 1 1 A 77 77 LYS CA C 77 53.450 52.775 0.675 1
1 982 . 14 1 1 A 77 77 LYS CB C 77 34.800 34.169 0.631 1
1 986 . 14 1 1 A 77 77 LYS N N 77 118.880 119.463 -0.583 1
1 987 . 14 1 1 A 78 78 PRO HA H 78 4.240 4.497 -0.257 1
1 994 . 14 1 1 A 78 78 PRO C C 78 177.470 177.192 0.278 1
1 995 . 14 1 1 A 78 78 PRO CA C 78 62.310 62.881 -0.571 1
1 996 . 14 1 1 A 78 78 PRO CB C 78 31.690 32.264 -0.574 1
1 999 . 14 1 1 A 79 79 MET H H 79 8.696 8.588 0.108 1
1 1000 . 14 1 1 A 79 79 MET HA H 79 4.289 4.560 -0.271 1
1 1008 . 14 1 1 A 79 79 MET C C 79 175.960 175.982 -0.022 1
1 1009 . 14 1 1 A 79 79 MET CA C 79 58.600 56.790 1.810 1
1 1010 . 14 1 1 A 79 79 MET CB C 79 35.200 33.314 1.886 1
1 1013 . 14 1 1 A 79 79 MET N N 79 126.540 121.997 4.543 1
1 1014 . 14 1 1 A 80 80 GLN H H 80 7.779 8.534 -0.755 1
1 1015 . 14 1 1 A 80 80 GLN HA H 80 4.855 5.197 -0.342 1
1 1022 . 14 1 1 A 80 80 GLN C C 80 174.820 174.558 0.262 1
1 1023 . 14 1 1 A 80 80 GLN CA C 80 54.550 54.309 0.241 1
1 1024 . 14 1 1 A 80 80 GLN CB C 80 29.320 31.534 -2.214 1
1 1026 . 14 1 1 A 80 80 GLN N N 80 122.810 120.324 2.486 1
1 1028 . 14 1 1 A 81 81 ILE H H 81 9.682 9.159 0.523 1
1 1029 . 14 1 1 A 81 81 ILE HA H 81 5.010 5.122 -0.112 1
1 1039 . 14 1 1 A 81 81 ILE C C 81 174.710 174.508 0.202 1
1 1040 . 14 1 1 A 81 81 ILE CA C 81 60.900 59.829 1.071 1
1 1041 . 14 1 1 A 81 81 ILE CB C 81 40.120 42.020 -1.900 1
1 1045 . 14 1 1 A 81 81 ILE N N 81 126.070 123.658 2.412 1
1 1046 . 14 1 1 A 82 82 ALA H H 82 9.039 8.577 0.462 1
1 1047 . 14 1 1 A 82 82 ALA HA H 82 4.620 5.220 -0.600 1
1 1051 . 14 1 1 A 82 82 ALA C C 82 176.700 175.594 1.106 1
1 1052 . 14 1 1 A 82 82 ALA CA C 82 50.890 50.904 -0.014 1
1 1053 . 14 1 1 A 82 82 ALA CB C 82 23.420 23.986 -0.566 1
1 1054 . 14 1 1 A 82 82 ALA N N 82 130.310 125.611 4.699 1
1 1055 . 14 1 1 A 83 83 TYR H H 83 8.411 8.935 -0.524 1
1 1056 . 14 1 1 A 83 83 TYR HA H 83 4.905 4.809 0.096 1
1 1061 . 14 1 1 A 83 83 TYR C C 83 176.900 175.908 0.992 1
1 1062 . 14 1 1 A 83 83 TYR CA C 83 59.280 57.419 1.861 1
1 1063 . 14 1 1 A 83 83 TYR CB C 83 39.350 39.635 -0.285 1
1 1065 . 14 1 1 A 83 83 TYR N N 83 118.580 119.246 -0.666 1
1 1066 . 14 1 1 A 84 84 SER H H 84 8.452 8.629 -0.177 1
1 1067 . 14 1 1 A 84 84 SER HA H 84 4.248 4.537 -0.289 1
1 1070 . 14 1 1 A 84 84 SER C C 84 174.220 174.363 -0.143 1
1 1071 . 14 1 1 A 84 84 SER CA C 84 58.560 59.071 -0.511 1
1 1072 . 14 1 1 A 84 84 SER CB C 84 64.100 63.849 0.251 1
1 1073 . 14 1 1 A 84 84 SER N N 84 115.040 119.950 -4.910 1
1 1074 . 14 1 1 A 85 85 LYS H H 85 8.443 8.630 -0.187 1
1 1075 . 14 1 1 A 85 85 LYS HA H 85 4.275 4.732 -0.457 1
1 1080 . 14 1 1 A 85 85 LYS C C 85 177.080 176.492 0.588 1
1 1081 . 14 1 1 A 85 85 LYS CA C 85 56.960 54.313 2.647 1
1 1082 . 14 1 1 A 85 85 LYS CB C 85 33.150 35.355 -2.205 1
1 1086 . 14 1 1 A 85 85 LYS N N 85 123.610 121.260 2.350 1
1 1087 . 14 1 1 A 86 86 SER H H 86 8.204 8.506 -0.302 1
1 1088 . 14 1 1 A 86 86 SER HA H 86 4.335 4.367 -0.032 1
1 1090 . 14 1 1 A 86 86 SER C C 86 174.080 174.780 -0.700 1
1 1091 . 14 1 1 A 86 86 SER CA C 86 58.400 59.433 -1.033 1
1 1092 . 14 1 1 A 86 86 SER CB C 86 63.750 63.754 -0.004 1
1 1093 . 14 1 1 A 86 86 SER N N 86 115.780 115.617 0.163 1
1 1094 . 14 1 1 A 87 87 ASP H H 87 8.435 8.927 -0.492 1
1 1095 . 14 1 1 A 87 87 ASP HA H 87 4.578 4.125 0.453 1
1 1098 . 14 1 1 A 87 87 ASP C C 87 176.630 177.755 -1.125 1
1 1099 . 14 1 1 A 87 87 ASP CA C 87 54.260 57.555 -3.295 1
1 1100 . 14 1 1 A 87 87 ASP CB C 87 40.780 41.023 -0.243 1
1 1101 . 14 1 1 A 87 87 ASP N N 87 121.910 125.156 -3.246 1
1 1102 . 14 1 1 A 88 88 SER H H 88 8.061 7.835 0.226 1
1 1103 . 14 1 1 A 88 88 SER HA H 88 4.328 3.964 0.364 1
1 1106 . 14 1 1 A 88 88 SER C C 88 174.840 175.290 -0.450 1
1 1107 . 14 1 1 A 88 88 SER CA C 88 58.800 61.137 -2.337 1
1 1108 . 14 1 1 A 88 88 SER CB C 88 63.870 62.355 1.515 1
1 1109 . 14 1 1 A 88 88 SER N N 88 116.440 115.696 0.744 1
1 1110 . 14 1 1 A 89 89 ASP H H 89 8.556 7.370 1.186 1
1 1111 . 14 1 1 A 89 89 ASP HA H 89 4.460 4.233 0.227 1
1 1114 . 14 1 1 A 89 89 ASP C C 89 177.450 178.109 -0.659 1
1 1115 . 14 1 1 A 89 89 ASP CA C 89 56.110 56.522 -0.412 1
1 1116 . 14 1 1 A 89 89 ASP CB C 89 40.500 40.657 -0.157 1
1 1117 . 14 1 1 A 89 89 ASP N N 89 123.080 120.688 2.392 1
1 1118 . 14 1 1 A 90 90 ILE H H 90 7.756 7.617 0.139 1
1 1119 . 14 1 1 A 90 90 ILE HA H 90 3.829 3.723 0.106 1
1 1129 . 14 1 1 A 90 90 ILE C C 90 177.060 177.933 -0.873 1
1 1130 . 14 1 1 A 90 90 ILE CA C 90 63.070 64.470 -1.400 1
1 1131 . 14 1 1 A 90 90 ILE CB C 90 38.290 36.887 1.403 1
1 1135 . 14 1 1 A 90 90 ILE N N 90 119.250 117.843 1.407 1
1 1136 . 14 1 1 A 91 91 VAL H H 91 7.459 8.237 -0.778 1
1 1137 . 14 1 1 A 91 91 VAL HA H 91 3.613 3.464 0.149 1
1 1145 . 14 1 1 A 91 91 VAL C C 91 177.080 178.169 -1.089 1
1 1146 . 14 1 1 A 91 91 VAL CA C 91 65.250 66.434 -1.184 1
1 1147 . 14 1 1 A 91 91 VAL CB C 91 31.970 31.571 0.399 1
1 1150 . 14 1 1 A 91 91 VAL N N 91 121.040 121.515 -0.475 1
1 1151 . 14 1 1 A 92 92 ALA H H 92 8.076 8.234 -0.158 1
1 1152 . 14 1 1 A 92 92 ALA HA H 92 4.098 3.994 0.104 1
1 1156 . 14 1 1 A 92 92 ALA C C 92 179.510 179.845 -0.335 1
1 1157 . 14 1 1 A 92 92 ALA CA C 92 54.180 55.827 -1.647 1
1 1158 . 14 1 1 A 92 92 ALA CB C 92 18.660 18.751 -0.091 1
1 1159 . 14 1 1 A 92 92 ALA N N 92 122.880 122.071 0.809 1
1 1160 . 14 1 1 A 93 93 LYS H H 93 7.946 8.133 -0.187 1
1 1161 . 14 1 1 A 93 93 LYS HA H 93 4.136 4.068 0.068 1
1 1170 . 14 1 1 A 93 93 LYS C C 93 178.300 179.540 -1.240 1
1 1171 . 14 1 1 A 93 93 LYS CA C 93 58.000 59.466 -1.466 1
1 1172 . 14 1 1 A 93 93 LYS CB C 93 32.550 32.472 0.078 1
1 1176 . 14 1 1 A 93 93 LYS N N 93 118.800 117.257 1.543 1
1 1177 . 14 1 1 A 94 94 ILE H H 94 7.894 7.889 0.005 1
1 1178 . 14 1 1 A 94 94 ILE HA H 94 3.906 4.156 -0.250 1
1 1188 . 14 1 1 A 94 94 ILE C C 94 177.720 175.650 2.070 1
1 1189 . 14 1 1 A 94 94 ILE CA C 94 63.200 62.465 0.735 1
1 1190 . 14 1 1 A 94 94 ILE CB C 94 38.330 38.677 -0.347 1
1 1194 . 14 1 1 A 94 94 ILE N N 94 120.760 113.856 6.904 1
1 1195 . 14 1 1 A 95 95 LYS H H 95 8.310 7.542 0.768 1
1 1196 . 14 1 1 A 95 95 LYS HA H 95 4.083 4.503 -0.420 1
1 1205 . 14 1 1 A 95 95 LYS C C 95 177.660 174.911 2.749 1
1 1206 . 14 1 1 A 95 95 LYS CA C 95 57.930 56.401 1.529 1
1 1207 . 14 1 1 A 95 95 LYS CB C 95 32.860 35.431 -2.571 1
1 1211 . 14 1 1 A 95 95 LYS N N 95 121.330 121.651 -0.321 1
1 1212 . 14 1 1 A 96 96 GLY H H 96 8.122 8.555 -0.433 1
1 1213 . 14 1 1 A 96 96 GLY HA2 H 96 3.999 4.264 -0.265 1
1 1214 . 14 1 1 A 96 96 GLY HA3 H 96 3.999 4.271 -0.272 1
1 1215 . 14 1 1 A 96 96 GLY C C 96 174.640 174.451 0.189 1
1 1216 . 14 1 1 A 96 96 GLY CA C 96 45.660 45.722 -0.062 1
1 1217 . 14 1 1 A 96 96 GLY N N 96 107.870 112.338 -4.468 1
1 1218 . 14 1 1 A 97 97 THR H H 97 7.968 8.694 -0.726 1
1 1219 . 14 1 1 A 97 97 THR HA H 97 4.294 4.073 0.221 1
1 1224 . 14 1 1 A 97 97 THR C C 97 174.590 176.405 -1.815 1
1 1225 . 14 1 1 A 97 97 THR CA C 97 62.160 65.163 -3.003 1
1 1226 . 14 1 1 A 97 97 THR CB C 97 69.630 68.714 0.916 1
1 1228 . 14 1 1 A 97 97 THR N N 97 112.820 113.444 -0.624 1
1 1229 . 14 1 1 A 98 98 PHE H H 98 7.938 8.018 -0.080 1
1 1230 . 14 1 1 A 98 98 PHE HA H 98 4.552 4.213 0.339 1
1 1235 . 14 1 1 A 98 98 PHE C C 98 175.370 176.771 -1.401 1
1 1236 . 14 1 1 A 98 98 PHE CA C 98 58.150 59.923 -1.773 1
1 1237 . 14 1 1 A 98 98 PHE CB C 98 39.550 39.489 0.061 1
1 1239 . 14 1 1 A 98 98 PHE N N 98 122.400 123.909 -1.509 1
1 1240 . 14 1 1 A 99 99 LYS H H 99 7.986 7.770 0.216 1
1 1241 . 14 1 1 A 99 99 LYS HA H 99 4.242 4.535 -0.293 1
1 1250 . 14 1 1 A 99 99 LYS C C 99 175.750 177.049 -1.299 1
1 1251 . 14 1 1 A 99 99 LYS CA C 99 56.030 55.883 0.147 1
1 1252 . 14 1 1 A 99 99 LYS CB C 99 33.390 32.938 0.452 1
1 1256 . 14 1 1 A 99 99 LYS N N 99 123.810 116.462 7.348 1
1 1257 . 14 1 1 A 100 100 GLU H H 100 8.247 8.617 -0.370 1
1 1258 . 14 1 1 A 100 100 GLU HA H 100 4.202 4.655 -0.453 1
1 1263 . 14 1 1 A 100 100 GLU C C 100 176.210 176.239 -0.029 1
1 1264 . 14 1 1 A 100 100 GLU CA C 100 56.270 57.965 -1.695 1
1 1265 . 14 1 1 A 100 100 GLU CB C 100 30.550 32.738 -2.188 1
1 1267 . 14 1 1 A 100 100 GLU N N 100 122.270 119.143 3.127 1
1 1268 . 14 1 1 A 101 101 ARG H H 101 8.415 8.093 0.322 1
1 1269 . 14 1 1 A 101 101 ARG HA H 101 4.590 4.797 -0.207 1
1 1276 . 14 1 1 A 101 101 ARG CA C 101 53.980 53.634 0.346 1
1 1277 . 14 1 1 A 101 101 ARG CB C 101 30.070 30.914 -0.844 1
1 1280 . 14 1 1 A 101 101 ARG N N 101 123.970 117.699 6.271 1
1 1281 . 14 1 1 A 102 102 PRO HA H 102 4.421 4.190 0.231 1
1 1288 . 14 1 1 A 102 102 PRO C C 102 176.700 177.339 -0.639 1
1 1289 . 14 1 1 A 102 102 PRO CA C 102 63.090 64.786 -1.696 1
1 1290 . 14 1 1 A 102 102 PRO CB C 102 32.160 31.268 0.892 1
1 1293 . 14 1 1 A 103 103 LYS H H 103 8.445 8.268 0.177 1
1 1294 . 14 1 1 A 103 103 LYS HA H 103 4.294 4.459 -0.165 1
1 1303 . 14 1 1 A 103 103 LYS C C 103 175.690 175.929 -0.239 1
1 1304 . 14 1 1 A 103 103 LYS CA C 103 56.380 55.449 0.931 1
1 1305 . 14 1 1 A 103 103 LYS CB C 103 33.150 30.846 2.304 1
1 1309 . 14 1 1 A 103 103 LYS N N 103 122.480 116.908 5.572 1
1 1 . 15 1 1 A 2 2 GLU HA H 2 4.372 4.759 -0.387 1
1 6 . 15 1 1 A 2 2 GLU C C 2 175.830 174.925 0.905 1
1 7 . 15 1 1 A 2 2 GLU CA C 2 56.340 55.173 1.167 1
1 8 . 15 1 1 A 2 2 GLU CB C 2 30.550 33.971 -3.421 1
1 10 . 15 1 1 A 3 3 MET H H 3 8.529 8.684 -0.155 1
1 11 . 15 1 1 A 3 3 MET HA H 3 4.534 4.895 -0.361 1
1 19 . 15 1 1 A 3 3 MET C C 3 175.350 175.561 -0.211 1
1 20 . 15 1 1 A 3 3 MET CA C 3 54.950 54.816 0.134 1
1 21 . 15 1 1 A 3 3 MET CB C 3 33.150 33.535 -0.385 1
1 24 . 15 1 1 A 3 3 MET N N 3 122.340 124.908 -2.568 1
1 25 . 15 1 1 A 4 4 LEU H H 4 8.265 8.002 0.263 1
1 26 . 15 1 1 A 4 4 LEU HA H 4 4.579 4.589 -0.010 1
1 36 . 15 1 1 A 4 4 LEU CA C 4 52.620 50.611 2.009 1
1 37 . 15 1 1 A 4 4 LEU CB C 4 41.780 44.312 -2.532 1
1 41 . 15 1 1 A 4 4 LEU N N 4 125.280 122.815 2.465 1
1 42 . 15 1 1 A 5 5 PRO HA H 5 4.268 4.645 -0.377 1
1 49 . 15 1 1 A 5 5 PRO C C 5 175.390 175.175 0.215 1
1 50 . 15 1 1 A 5 5 PRO CA C 5 62.620 63.228 -0.608 1
1 51 . 15 1 1 A 5 5 PRO CB C 5 32.300 32.073 0.227 1
1 54 . 15 1 1 A 6 6 ASN H H 6 6.913 9.034 -2.121 1
1 55 . 15 1 1 A 6 6 ASN HA H 6 4.460 5.142 -0.682 1
1 60 . 15 1 1 A 6 6 ASN C C 6 172.390 174.887 -2.497 1
1 61 . 15 1 1 A 6 6 ASN CA C 6 52.920 52.430 0.490 1
1 62 . 15 1 1 A 6 6 ASN CB C 6 41.920 42.010 -0.090 1
1 63 . 15 1 1 A 6 6 ASN N N 6 117.610 120.683 -3.073 1
1 65 . 15 1 1 A 7 7 GLN H H 7 8.465 8.479 -0.014 1
1 66 . 15 1 1 A 7 7 GLN HA H 7 4.164 4.312 -0.148 1
1 73 . 15 1 1 A 7 7 GLN C C 7 175.020 175.663 -0.643 1
1 74 . 15 1 1 A 7 7 GLN CA C 7 58.100 58.327 -0.227 1
1 75 . 15 1 1 A 7 7 GLN CB C 7 29.270 28.928 0.342 1
1 77 . 15 1 1 A 7 7 GLN N N 7 116.430 121.944 -5.514 1
1 79 . 15 1 1 A 8 8 THR H H 8 8.374 8.130 0.244 1
1 80 . 15 1 1 A 8 8 THR HA H 8 5.399 5.198 0.201 1
1 85 . 15 1 1 A 8 8 THR C C 8 173.700 174.437 -0.737 1
1 86 . 15 1 1 A 8 8 THR CA C 8 62.380 61.992 0.388 1
1 87 . 15 1 1 A 8 8 THR CB C 8 69.100 71.028 -1.928 1
1 89 . 15 1 1 A 8 8 THR N N 8 118.220 114.301 3.919 1
1 90 . 15 1 1 A 9 9 ILE H H 9 8.794 9.472 -0.678 1
1 91 . 15 1 1 A 9 9 ILE HA H 9 5.085 5.454 -0.369 1
1 101 . 15 1 1 A 9 9 ILE C C 9 173.490 173.802 -0.312 1
1 102 . 15 1 1 A 9 9 ILE CA C 9 59.000 59.295 -0.295 1
1 103 . 15 1 1 A 9 9 ILE CB C 9 39.710 42.362 -2.652 1
1 107 . 15 1 1 A 9 9 ILE N N 9 118.250 121.272 -3.022 1
1 108 . 15 1 1 A 10 10 TYR H H 10 9.384 9.172 0.212 1
1 109 . 15 1 1 A 10 10 TYR HA H 10 5.032 5.216 -0.184 1
1 116 . 15 1 1 A 10 10 TYR C C 10 173.920 173.584 0.336 1
1 117 . 15 1 1 A 10 10 TYR CA C 10 55.240 56.126 -0.886 1
1 118 . 15 1 1 A 10 10 TYR CB C 10 40.700 41.986 -1.286 1
1 123 . 15 1 1 A 10 10 TYR N N 10 124.310 124.613 -0.303 1
1 124 . 15 1 1 A 11 11 ILE H H 11 9.000 8.402 0.598 1
1 125 . 15 1 1 A 11 11 ILE HA H 11 4.629 4.744 -0.115 1
1 135 . 15 1 1 A 11 11 ILE C C 11 180.280 173.649 6.631 1
1 136 . 15 1 1 A 11 11 ILE CA C 11 60.050 59.316 0.734 1
1 137 . 15 1 1 A 11 11 ILE CB C 11 40.350 40.859 -0.509 1
1 141 . 15 1 1 A 11 11 ILE N N 11 126.640 126.012 0.628 1
1 142 . 15 1 1 A 12 12 ASN H H 12 8.844 8.698 0.146 1
1 143 . 15 1 1 A 12 12 ASN HA H 12 5.267 4.942 0.325 1
1 148 . 15 1 1 A 12 12 ASN C C 12 174.640 174.356 0.284 1
1 149 . 15 1 1 A 12 12 ASN CA C 12 50.860 51.392 -0.532 1
1 150 . 15 1 1 A 12 12 ASN CB C 12 41.400 41.511 -0.111 1
1 151 . 15 1 1 A 12 12 ASN N N 12 123.520 123.623 -0.103 1
1 153 . 15 1 1 A 13 13 ASN H H 13 8.689 8.962 -0.273 1
1 154 . 15 1 1 A 13 13 ASN HA H 13 4.456 4.296 0.160 1
1 159 . 15 1 1 A 13 13 ASN C C 13 176.140 174.554 1.586 1
1 160 . 15 1 1 A 13 13 ASN CA C 13 53.920 54.076 -0.156 1
1 161 . 15 1 1 A 13 13 ASN CB C 13 39.360 37.959 1.401 1
1 162 . 15 1 1 A 13 13 ASN N N 13 115.910 117.478 -1.568 1
1 164 . 15 1 1 A 14 14 LEU H H 14 8.221 7.603 0.618 1
1 165 . 15 1 1 A 14 14 LEU HA H 14 4.350 4.360 -0.010 1
1 175 . 15 1 1 A 14 14 LEU C C 14 177.880 176.997 0.883 1
1 176 . 15 1 1 A 14 14 LEU CA C 14 54.000 55.333 -1.333 1
1 177 . 15 1 1 A 14 14 LEU CB C 14 42.830 42.364 0.466 1
1 181 . 15 1 1 A 14 14 LEU N N 14 116.310 120.260 -3.950 1
1 182 . 15 1 1 A 15 15 ASN H H 15 9.226 8.649 0.577 1
1 183 . 15 1 1 A 15 15 ASN HA H 15 4.225 4.824 -0.599 1
1 188 . 15 1 1 A 15 15 ASN C C 15 176.150 176.509 -0.359 1
1 189 . 15 1 1 A 15 15 ASN CA C 15 54.210 53.251 0.959 1
1 190 . 15 1 1 A 15 15 ASN CB C 15 38.050 39.481 -1.431 1
1 191 . 15 1 1 A 15 15 ASN N N 15 120.300 122.835 -2.535 1
1 193 . 15 1 1 A 16 16 GLU H H 16 9.234 9.064 0.170 1
1 194 . 15 1 1 A 16 16 GLU HA H 16 4.110 3.896 0.214 1
1 199 . 15 1 1 A 16 16 GLU C C 16 176.510 178.358 -1.848 1
1 200 . 15 1 1 A 16 16 GLU CA C 16 57.800 59.805 -2.005 1
1 201 . 15 1 1 A 16 16 GLU CB C 16 29.300 29.334 -0.034 1
1 203 . 15 1 1 A 16 16 GLU N N 16 128.160 127.308 0.852 1
1 204 . 15 1 1 A 17 17 LYS H H 17 8.421 8.183 0.238 1
1 205 . 15 1 1 A 17 17 LYS HA H 17 4.170 4.109 0.061 1
1 214 . 15 1 1 A 17 17 LYS C C 17 176.700 176.874 -0.174 1
1 215 . 15 1 1 A 17 17 LYS CA C 17 56.750 58.733 -1.983 1
1 216 . 15 1 1 A 17 17 LYS CB C 17 32.370 31.872 0.498 1
1 220 . 15 1 1 A 17 17 LYS N N 17 118.450 116.600 1.850 1
1 221 . 15 1 1 A 18 18 ILE H H 18 6.751 7.505 -0.754 1
1 222 . 15 1 1 A 18 18 ILE HA H 18 3.830 3.846 -0.016 1
1 232 . 15 1 1 A 18 18 ILE C C 18 176.560 175.703 0.857 1
1 233 . 15 1 1 A 18 18 ILE CA C 18 58.640 61.842 -3.202 1
1 234 . 15 1 1 A 18 18 ILE CB C 18 35.940 38.112 -2.172 1
1 238 . 15 1 1 A 18 18 ILE N N 18 118.790 122.513 -3.723 1
1 239 . 15 1 1 A 19 19 LYS H H 19 8.815 8.531 0.284 1
1 240 . 15 1 1 A 19 19 LYS HA H 19 4.189 4.145 0.044 1
1 249 . 15 1 1 A 19 19 LYS C C 19 178.340 177.729 0.611 1
1 250 . 15 1 1 A 19 19 LYS CA C 19 57.250 56.713 0.537 1
1 251 . 15 1 1 A 19 19 LYS CB C 19 32.800 33.656 -0.856 1
1 255 . 15 1 1 A 19 19 LYS N N 19 129.030 128.752 0.278 1
1 256 . 15 1 1 A 20 20 LYS H H 20 9.032 8.966 0.066 1
1 257 . 15 1 1 A 20 20 LYS HA H 20 3.854 3.984 -0.130 1
1 266 . 15 1 1 A 20 20 LYS C C 20 178.390 177.735 0.655 1
1 267 . 15 1 1 A 20 20 LYS CA C 20 59.740 59.318 0.422 1
1 268 . 15 1 1 A 20 20 LYS CB C 20 31.390 32.210 -0.820 1
1 272 . 15 1 1 A 20 20 LYS N N 20 123.440 127.078 -3.638 1
1 273 . 15 1 1 A 21 21 GLU H H 21 9.341 8.101 1.240 1
1 274 . 15 1 1 A 21 21 GLU HA H 21 4.074 4.104 -0.030 1
1 279 . 15 1 1 A 21 21 GLU C C 21 179.120 179.307 -0.187 1
1 280 . 15 1 1 A 21 21 GLU CA C 21 60.270 59.317 0.953 1
1 281 . 15 1 1 A 21 21 GLU CB C 21 28.840 29.238 -0.398 1
1 283 . 15 1 1 A 21 21 GLU N N 21 117.890 118.469 -0.579 1
1 284 . 15 1 1 A 22 22 GLU H H 22 6.994 7.837 -0.843 1
1 285 . 15 1 1 A 22 22 GLU HA H 22 4.166 4.086 0.080 1
1 290 . 15 1 1 A 22 22 GLU C C 22 178.200 179.112 -0.912 1
1 291 . 15 1 1 A 22 22 GLU CA C 22 58.530 59.166 -0.636 1
1 292 . 15 1 1 A 22 22 GLU CB C 22 29.180 29.192 -0.012 1
1 294 . 15 1 1 A 22 22 GLU N N 22 119.810 120.104 -0.294 1
1 295 . 15 1 1 A 23 23 LEU H H 23 8.462 8.268 0.194 1
1 296 . 15 1 1 A 23 23 LEU HA H 23 3.981 4.216 -0.235 1
1 306 . 15 1 1 A 23 23 LEU C C 23 178.780 178.354 0.426 1
1 307 . 15 1 1 A 23 23 LEU CA C 23 58.840 58.221 0.619 1
1 308 . 15 1 1 A 23 23 LEU CB C 23 42.420 41.773 0.647 1
1 312 . 15 1 1 A 23 23 LEU N N 23 121.220 122.375 -1.155 1
1 313 . 15 1 1 A 24 24 LYS H H 24 8.411 8.144 0.267 1
1 314 . 15 1 1 A 24 24 LYS HA H 24 3.808 4.034 -0.226 1
1 323 . 15 1 1 A 24 24 LYS C C 24 178.200 178.862 -0.662 1
1 324 . 15 1 1 A 24 24 LYS CA C 24 61.500 59.693 1.807 1
1 325 . 15 1 1 A 24 24 LYS CB C 24 32.500 32.358 0.142 1
1 329 . 15 1 1 A 24 24 LYS N N 24 116.620 118.807 -2.187 1
1 330 . 15 1 1 A 25 25 LYS H H 25 7.592 8.127 -0.535 1
1 331 . 15 1 1 A 25 25 LYS HA H 25 4.181 4.173 0.008 1
1 340 . 15 1 1 A 25 25 LYS C C 25 180.280 179.219 1.061 1
1 341 . 15 1 1 A 25 25 LYS CA C 25 60.140 59.375 0.765 1
1 342 . 15 1 1 A 25 25 LYS CB C 25 32.690 32.224 0.466 1
1 346 . 15 1 1 A 25 25 LYS N N 25 118.830 119.756 -0.926 1
1 347 . 15 1 1 A 26 26 SER H H 26 8.845 8.573 0.272 1
1 348 . 15 1 1 A 26 26 SER HA H 26 4.570 4.229 0.341 1
1 351 . 15 1 1 A 26 26 SER C C 26 176.880 176.432 0.448 1
1 352 . 15 1 1 A 26 26 SER CA C 26 62.210 62.679 -0.469 1
1 353 . 15 1 1 A 26 26 SER CB C 26 63.320 63.029 0.291 1
1 354 . 15 1 1 A 26 26 SER N N 26 117.880 117.712 0.168 1
1 355 . 15 1 1 A 27 27 LEU H H 27 9.040 8.506 0.534 1
1 356 . 15 1 1 A 27 27 LEU HA H 27 4.190 4.139 0.051 1
1 366 . 15 1 1 A 27 27 LEU C C 27 179.100 178.934 0.166 1
1 367 . 15 1 1 A 27 27 LEU CA C 27 57.960 57.841 0.119 1
1 368 . 15 1 1 A 27 27 LEU CB C 27 43.030 41.767 1.263 1
1 372 . 15 1 1 A 27 27 LEU N N 27 122.840 121.283 1.557 1
1 373 . 15 1 1 A 28 28 TYR H H 28 8.535 8.572 -0.037 1
1 374 . 15 1 1 A 28 28 TYR HA H 28 3.826 4.079 -0.253 1
1 379 . 15 1 1 A 28 28 TYR C C 28 178.360 178.412 -0.052 1
1 380 . 15 1 1 A 28 28 TYR CA C 28 63.220 62.297 0.923 1
1 381 . 15 1 1 A 28 28 TYR CB C 28 38.320 38.706 -0.386 1
1 384 . 15 1 1 A 28 28 TYR N N 28 121.030 119.308 1.722 1
1 385 . 15 1 1 A 29 29 ALA H H 29 8.009 8.334 -0.325 1
1 386 . 15 1 1 A 29 29 ALA HA H 29 3.364 4.127 -0.763 1
1 390 . 15 1 1 A 29 29 ALA CA C 29 55.420 54.944 0.476 1
1 391 . 15 1 1 A 29 29 ALA CB C 29 18.920 18.866 0.054 1
1 392 . 15 1 1 A 29 29 ALA N N 29 120.570 121.606 -1.036 1
1 393 . 15 1 1 A 30 30 ILE HA H 30 4.048 4.468 -0.420 1
1 403 . 15 1 1 A 30 30 ILE C C 30 177.270 177.920 -0.650 1
1 404 . 15 1 1 A 30 30 ILE CA C 30 63.380 61.904 1.476 1
1 405 . 15 1 1 A 30 30 ILE CB C 30 38.850 39.557 -0.707 1
1 409 . 15 1 1 A 31 31 PHE H H 31 8.446 8.447 -0.001 1
1 410 . 15 1 1 A 31 31 PHE HA H 31 4.900 4.626 0.274 1
1 415 . 15 1 1 A 31 31 PHE C C 31 177.820 178.470 -0.650 1
1 416 . 15 1 1 A 31 31 PHE CA C 31 62.380 60.388 1.992 1
1 417 . 15 1 1 A 31 31 PHE CB C 31 38.900 38.145 0.755 1
1 418 . 15 1 1 A 31 31 PHE N N 31 115.770 121.639 -5.869 1
1 419 . 15 1 1 A 32 32 SER H H 32 8.392 8.086 0.306 1
1 420 . 15 1 1 A 32 32 SER HA H 32 4.365 4.302 0.063 1
1 423 . 15 1 1 A 32 32 SER C C 32 176.140 176.544 -0.404 1
1 424 . 15 1 1 A 32 32 SER CA C 32 61.680 62.258 -0.578 1
1 425 . 15 1 1 A 32 32 SER CB C 32 62.460 62.797 -0.337 1
1 426 . 15 1 1 A 32 32 SER N N 32 116.890 115.816 1.074 1
1 427 . 15 1 1 A 33 33 GLN H H 33 7.310 8.177 -0.867 1
1 428 . 15 1 1 A 33 33 GLN HA H 33 4.059 4.019 0.040 1
1 435 . 15 1 1 A 33 33 GLN C C 33 176.330 176.662 -0.332 1
1 436 . 15 1 1 A 33 33 GLN CA C 33 57.220 57.246 -0.026 1
1 437 . 15 1 1 A 33 33 GLN CB C 33 28.040 27.834 0.206 1
1 439 . 15 1 1 A 33 33 GLN N N 33 117.530 119.185 -1.655 1
1 441 . 15 1 1 A 34 34 PHE H H 34 7.626 7.745 -0.119 1
1 442 . 15 1 1 A 34 34 PHE HA H 34 4.435 4.549 -0.114 1
1 447 . 15 1 1 A 34 34 PHE C C 34 175.590 175.736 -0.146 1
1 448 . 15 1 1 A 34 34 PHE CA C 34 59.410 58.056 1.354 1
1 449 . 15 1 1 A 34 34 PHE CB C 34 39.380 39.520 -0.140 1
1 452 . 15 1 1 A 34 34 PHE N N 34 116.090 116.737 -0.647 1
1 453 . 15 1 1 A 35 35 GLY H H 35 7.595 7.561 0.034 1
1 454 . 15 1 1 A 35 35 GLY HA2 H 35 3.960 4.140 -0.180 1
1 455 . 15 1 1 A 35 35 GLY HA3 H 35 4.612 4.229 0.383 1
1 456 . 15 1 1 A 35 35 GLY C C 35 170.890 174.624 -3.734 1
1 457 . 15 1 1 A 35 35 GLY CA C 35 44.160 45.630 -1.470 1
1 458 . 15 1 1 A 35 35 GLY N N 35 107.470 105.310 2.160 1
1 459 . 15 1 1 A 36 36 GLN H H 36 8.404 8.611 -0.207 1
1 460 . 15 1 1 A 36 36 GLN HA H 36 4.275 4.049 0.226 1
1 467 . 15 1 1 A 36 36 GLN C C 36 176.650 174.841 1.809 1
1 468 . 15 1 1 A 36 36 GLN CA C 36 57.180 56.528 0.652 1
1 469 . 15 1 1 A 36 36 GLN CB C 36 29.360 27.504 1.856 1
1 471 . 15 1 1 A 36 36 GLN N N 36 116.620 118.465 -1.845 1
1 473 . 15 1 1 A 37 37 ILE H H 37 9.009 7.924 1.085 1
1 474 . 15 1 1 A 37 37 ILE HA H 37 4.068 3.223 0.845 1
1 484 . 15 1 1 A 37 37 ILE C C 37 176.530 175.685 0.845 1
1 485 . 15 1 1 A 37 37 ILE CA C 37 61.270 61.705 -0.435 1
1 486 . 15 1 1 A 37 37 ILE CB C 37 40.600 37.756 2.844 1
1 490 . 15 1 1 A 37 37 ILE N N 37 129.370 127.110 2.260 1
1 491 . 15 1 1 A 38 38 LEU H H 38 9.472 9.354 0.118 1
1 492 . 15 1 1 A 38 38 LEU HA H 38 4.291 4.541 -0.250 1
1 502 . 15 1 1 A 38 38 LEU C C 38 176.900 175.358 1.542 1
1 503 . 15 1 1 A 38 38 LEU CA C 38 56.520 55.988 0.532 1
1 504 . 15 1 1 A 38 38 LEU CB C 38 42.030 44.796 -2.766 1
1 508 . 15 1 1 A 38 38 LEU N N 38 128.180 127.909 0.271 1
1 509 . 15 1 1 A 39 39 ASP H H 39 7.493 7.748 -0.255 1
1 510 . 15 1 1 A 39 39 ASP HA H 39 4.715 4.981 -0.266 1
1 513 . 15 1 1 A 39 39 ASP C C 39 173.560 173.775 -0.215 1
1 514 . 15 1 1 A 39 39 ASP CA C 39 53.510 53.510 0.000 1
1 515 . 15 1 1 A 39 39 ASP CB C 39 44.160 43.886 0.274 1
1 516 . 15 1 1 A 39 39 ASP N N 39 114.640 117.355 -2.715 1
1 517 . 15 1 1 A 40 40 ILE H H 40 8.537 8.518 0.019 1
1 518 . 15 1 1 A 40 40 ILE HA H 40 4.722 4.906 -0.184 1
1 528 . 15 1 1 A 40 40 ILE C C 40 174.090 175.082 -0.992 1
1 529 . 15 1 1 A 40 40 ILE CA C 40 61.060 60.156 0.904 1
1 530 . 15 1 1 A 40 40 ILE CB C 40 41.220 42.092 -0.872 1
1 534 . 15 1 1 A 40 40 ILE N N 40 119.670 121.810 -2.140 1
1 535 . 15 1 1 A 41 41 VAL H H 41 8.807 9.033 -0.226 1
1 536 . 15 1 1 A 41 41 VAL HA H 41 4.195 4.724 -0.529 1
1 544 . 15 1 1 A 41 41 VAL C C 41 174.470 174.565 -0.095 1
1 545 . 15 1 1 A 41 41 VAL CA C 41 61.020 61.931 -0.911 1
1 546 . 15 1 1 A 41 41 VAL CB C 41 34.160 33.610 0.550 1
1 549 . 15 1 1 A 41 41 VAL N N 41 127.000 126.711 0.289 1
1 550 . 15 1 1 A 42 42 ALA H H 42 8.708 8.997 -0.289 1
1 551 . 15 1 1 A 42 42 ALA HA H 42 4.796 5.286 -0.490 1
1 555 . 15 1 1 A 42 42 ALA C C 42 175.210 175.379 -0.169 1
1 556 . 15 1 1 A 42 42 ALA CA C 42 51.430 50.448 0.982 1
1 557 . 15 1 1 A 42 42 ALA CB C 42 19.780 23.912 -4.132 1
1 558 . 15 1 1 A 42 42 ALA N N 42 130.100 128.912 1.188 1
1 559 . 15 1 1 A 43 43 LEU H H 43 8.224 8.985 -0.761 1
1 560 . 15 1 1 A 43 43 LEU HA H 43 4.575 4.958 -0.383 1
1 570 . 15 1 1 A 43 43 LEU CA C 43 54.620 53.611 1.009 1
1 571 . 15 1 1 A 43 43 LEU CB C 43 43.640 46.323 -2.683 1
1 575 . 15 1 1 A 43 43 LEU N N 43 122.270 120.773 1.497 1
1 576 . 15 1 1 A 44 44 LYS HA H 44 4.570 4.307 0.263 1
1 585 . 15 1 1 A 44 44 LYS CA C 44 56.000 57.428 -1.428 1
1 586 . 15 1 1 A 44 44 LYS CB C 44 32.940 32.573 0.367 1
1 590 . 15 1 1 A 45 45 THR H H 45 7.706 7.444 0.262 1
1 591 . 15 1 1 A 45 45 THR HA H 45 4.494 4.229 0.265 1
1 596 . 15 1 1 A 45 45 THR CA C 45 60.500 61.954 -1.454 1
1 597 . 15 1 1 A 45 45 THR CB C 45 70.450 70.041 0.409 1
1 599 . 15 1 1 A 45 45 THR N N 45 113.650 112.563 1.087 1
1 600 . 15 1 1 A 46 46 LEU HA H 46 4.142 3.975 0.167 1
1 610 . 15 1 1 A 46 46 LEU C C 46 179.030 178.954 0.076 1
1 611 . 15 1 1 A 46 46 LEU CA C 46 57.630 58.159 -0.529 1
1 612 . 15 1 1 A 46 46 LEU CB C 46 42.020 41.424 0.596 1
1 616 . 15 1 1 A 47 47 LYS H H 47 8.325 7.910 0.415 1
1 617 . 15 1 1 A 47 47 LYS HA H 47 4.139 4.112 0.027 1
1 626 . 15 1 1 A 47 47 LYS C C 47 176.700 177.675 -0.975 1
1 627 . 15 1 1 A 47 47 LYS CA C 47 57.800 58.983 -1.183 1
1 628 . 15 1 1 A 47 47 LYS CB C 47 32.440 32.312 0.128 1
1 632 . 15 1 1 A 47 47 LYS N N 47 116.870 119.542 -2.672 1
1 633 . 15 1 1 A 48 48 MET H H 48 7.649 7.915 -0.266 1
1 634 . 15 1 1 A 48 48 MET HA H 48 4.581 4.854 -0.273 1
1 642 . 15 1 1 A 48 48 MET C C 48 175.550 176.704 -1.154 1
1 643 . 15 1 1 A 48 48 MET CA C 48 54.970 54.845 0.125 1
1 644 . 15 1 1 A 48 48 MET CB C 48 32.770 34.106 -1.336 1
1 647 . 15 1 1 A 48 48 MET N N 48 116.090 116.039 0.051 1
1 648 . 15 1 1 A 49 49 ARG H H 49 7.653 7.544 0.109 1
1 649 . 15 1 1 A 49 49 ARG HA H 49 4.377 4.019 0.358 1
1 656 . 15 1 1 A 49 49 ARG C C 49 177.450 177.720 -0.270 1
1 657 . 15 1 1 A 49 49 ARG CA C 49 57.250 59.600 -2.350 1
1 658 . 15 1 1 A 49 49 ARG CB C 49 30.400 30.097 0.303 1
1 661 . 15 1 1 A 49 49 ARG N N 49 119.580 122.248 -2.668 1
1 662 . 15 1 1 A 50 50 GLY H H 50 9.177 7.792 1.385 1
1 663 . 15 1 1 A 50 50 GLY HA2 H 50 3.960 4.068 -0.108 1
1 664 . 15 1 1 A 50 50 GLY HA3 H 50 4.107 4.069 0.038 1
1 665 . 15 1 1 A 50 50 GLY C C 50 172.960 174.094 -1.134 1
1 666 . 15 1 1 A 50 50 GLY CA C 50 46.140 45.613 0.527 1
1 667 . 15 1 1 A 50 50 GLY N N 50 111.640 105.982 5.658 1
1 668 . 15 1 1 A 51 51 GLN H H 51 7.853 7.824 0.029 1
1 669 . 15 1 1 A 51 51 GLN HA H 51 5.516 4.805 0.711 1
1 675 . 15 1 1 A 51 51 GLN C C 51 174.800 173.861 0.939 1
1 676 . 15 1 1 A 51 51 GLN CA C 51 54.160 53.897 0.263 1
1 677 . 15 1 1 A 51 51 GLN CB C 51 34.330 32.569 1.761 1
1 679 . 15 1 1 A 51 51 GLN N N 51 117.000 116.822 0.178 1
1 681 . 15 1 1 A 52 52 ALA H H 52 8.765 8.431 0.334 1
1 682 . 15 1 1 A 52 52 ALA HA H 52 5.098 4.963 0.135 1
1 686 . 15 1 1 A 52 52 ALA C C 52 174.820 175.332 -0.512 1
1 687 . 15 1 1 A 52 52 ALA CA C 52 51.170 51.172 -0.002 1
1 688 . 15 1 1 A 52 52 ALA CB C 52 23.350 23.297 0.053 1
1 689 . 15 1 1 A 52 52 ALA N N 52 121.050 121.017 0.033 1
1 690 . 15 1 1 A 53 53 PHE H H 53 8.840 8.923 -0.083 1
1 691 . 15 1 1 A 53 53 PHE HA H 53 5.615 5.620 -0.005 1
1 696 . 15 1 1 A 53 53 PHE C C 53 174.870 174.704 0.166 1
1 697 . 15 1 1 A 53 53 PHE CA C 53 55.770 56.706 -0.936 1
1 698 . 15 1 1 A 53 53 PHE CB C 53 41.530 43.751 -2.221 1
1 701 . 15 1 1 A 53 53 PHE N N 53 115.860 117.757 -1.897 1
1 702 . 15 1 1 A 54 54 VAL H H 54 8.766 8.872 -0.106 1
1 703 . 15 1 1 A 54 54 VAL HA H 54 4.169 4.846 -0.677 1
1 711 . 15 1 1 A 54 54 VAL C C 54 173.330 173.854 -0.524 1
1 712 . 15 1 1 A 54 54 VAL CA C 54 61.920 60.312 1.608 1
1 713 . 15 1 1 A 54 54 VAL CB C 54 32.860 35.785 -2.925 1
1 716 . 15 1 1 A 54 54 VAL N N 54 121.920 119.373 2.547 1
1 717 . 15 1 1 A 55 55 ILE H H 55 8.319 9.298 -0.979 1
1 718 . 15 1 1 A 55 55 ILE HA H 55 4.512 5.404 -0.892 1
1 728 . 15 1 1 A 55 55 ILE C C 55 173.920 175.050 -1.130 1
1 729 . 15 1 1 A 55 55 ILE CA C 55 60.880 60.141 0.739 1
1 730 . 15 1 1 A 55 55 ILE CB C 55 39.130 40.042 -0.912 1
1 734 . 15 1 1 A 55 55 ILE N N 55 126.350 127.962 -1.612 1
1 735 . 15 1 1 A 56 56 PHE H H 56 9.009 9.275 -0.266 1
1 736 . 15 1 1 A 56 56 PHE HA H 56 4.889 4.966 -0.077 1
1 741 . 15 1 1 A 56 56 PHE C C 56 175.180 176.160 -0.980 1
1 742 . 15 1 1 A 56 56 PHE CA C 56 59.030 56.782 2.248 1
1 743 . 15 1 1 A 56 56 PHE CB C 56 40.320 42.965 -2.645 1
1 744 . 15 1 1 A 56 56 PHE N N 56 126.440 125.272 1.168 1
1 745 . 15 1 1 A 57 57 LYS H H 57 8.191 9.054 -0.863 1
1 746 . 15 1 1 A 57 57 LYS HA H 57 3.969 4.141 -0.172 1
1 755 . 15 1 1 A 57 57 LYS C C 57 176.140 175.805 0.335 1
1 756 . 15 1 1 A 57 57 LYS CA C 57 59.290 58.810 0.480 1
1 757 . 15 1 1 A 57 57 LYS CB C 57 33.850 32.747 1.103 1
1 761 . 15 1 1 A 57 57 LYS N N 57 119.130 122.286 -3.156 1
1 762 . 15 1 1 A 58 58 GLU H H 58 8.614 7.987 0.627 1
1 763 . 15 1 1 A 58 58 GLU HA H 58 4.850 4.727 0.123 1
1 768 . 15 1 1 A 58 58 GLU C C 58 177.130 176.285 0.845 1
1 769 . 15 1 1 A 58 58 GLU CA C 58 54.130 55.699 -1.569 1
1 770 . 15 1 1 A 58 58 GLU CB C 58 32.230 33.152 -0.922 1
1 772 . 15 1 1 A 58 58 GLU N N 58 114.350 117.704 -3.354 1
1 773 . 15 1 1 A 59 59 ILE H H 59 8.825 8.658 0.167 1
1 774 . 15 1 1 A 59 59 ILE HA H 59 3.499 3.809 -0.310 1
1 784 . 15 1 1 A 59 59 ILE C C 59 177.650 178.178 -0.528 1
1 785 . 15 1 1 A 59 59 ILE CA C 59 65.660 64.277 1.383 1
1 786 . 15 1 1 A 59 59 ILE CB C 59 38.040 37.683 0.357 1
1 790 . 15 1 1 A 59 59 ILE N N 59 122.940 123.253 -0.313 1
1 791 . 15 1 1 A 60 60 GLY H H 60 8.875 8.475 0.400 1
1 792 . 15 1 1 A 60 60 GLY HA2 H 60 3.780 3.804 -0.024 1
1 793 . 15 1 1 A 60 60 GLY HA3 H 60 3.925 3.817 0.108 1
1 794 . 15 1 1 A 60 60 GLY C C 60 176.700 176.422 0.278 1
1 795 . 15 1 1 A 60 60 GLY CA C 60 47.070 47.508 -0.438 1
1 796 . 15 1 1 A 60 60 GLY N N 60 106.980 110.595 -3.615 1
1 797 . 15 1 1 A 61 61 SER H H 61 6.973 7.971 -0.998 1
1 798 . 15 1 1 A 61 61 SER HA H 61 4.141 4.301 -0.160 1
1 801 . 15 1 1 A 61 61 SER C C 61 174.060 176.139 -2.079 1
1 802 . 15 1 1 A 61 61 SER CA C 61 61.870 62.613 -0.743 1
1 803 . 15 1 1 A 61 61 SER CB C 61 63.150 62.891 0.259 1
1 804 . 15 1 1 A 61 61 SER N N 61 116.200 119.345 -3.145 1
1 805 . 15 1 1 A 62 62 ALA H H 62 6.786 8.402 -1.616 1
1 806 . 15 1 1 A 62 62 ALA HA H 62 3.370 3.447 -0.077 1
1 810 . 15 1 1 A 62 62 ALA C C 62 178.960 179.205 -0.245 1
1 811 . 15 1 1 A 62 62 ALA CA C 62 55.370 55.037 0.333 1
1 812 . 15 1 1 A 62 62 ALA CB C 62 19.030 18.459 0.571 1
1 813 . 15 1 1 A 62 62 ALA N N 62 123.660 123.882 -0.222 1
1 814 . 15 1 1 A 63 63 SER H H 63 8.379 8.075 0.304 1
1 815 . 15 1 1 A 63 63 SER HA H 63 4.551 4.125 0.426 1
1 818 . 15 1 1 A 63 63 SER C C 63 177.040 176.056 0.984 1
1 819 . 15 1 1 A 63 63 SER CA C 63 61.000 61.557 -0.557 1
1 820 . 15 1 1 A 63 63 SER CB C 63 63.090 62.706 0.384 1
1 821 . 15 1 1 A 63 63 SER N N 63 111.560 113.050 -1.490 1
1 822 . 15 1 1 A 64 64 ASN H H 64 7.737 8.418 -0.681 1
1 823 . 15 1 1 A 64 64 ASN HA H 64 4.434 4.347 0.087 1
1 828 . 15 1 1 A 64 64 ASN C C 64 177.490 177.187 0.303 1
1 829 . 15 1 1 A 64 64 ASN CA C 64 55.410 56.245 -0.835 1
1 830 . 15 1 1 A 64 64 ASN CB C 64 37.930 38.921 -0.991 1
1 831 . 15 1 1 A 64 64 ASN N N 64 120.200 120.280 -0.080 1
1 833 . 15 1 1 A 65 65 ALA H H 65 8.085 7.790 0.295 1
1 834 . 15 1 1 A 65 65 ALA HA H 65 4.864 3.875 0.989 1
1 838 . 15 1 1 A 65 65 ALA C C 65 178.180 179.245 -1.065 1
1 839 . 15 1 1 A 65 65 ALA CA C 65 54.700 54.911 -0.211 1
1 840 . 15 1 1 A 65 65 ALA CB C 65 19.950 17.989 1.961 1
1 841 . 15 1 1 A 65 65 ALA N N 65 125.150 121.271 3.879 1
1 842 . 15 1 1 A 66 66 LEU H H 66 8.083 7.924 0.159 1
1 843 . 15 1 1 A 66 66 LEU HA H 66 3.560 4.019 -0.459 1
1 853 . 15 1 1 A 66 66 LEU C C 66 177.650 178.387 -0.737 1
1 854 . 15 1 1 A 66 66 LEU CA C 66 59.540 58.423 1.117 1
1 855 . 15 1 1 A 66 66 LEU CB C 66 42.020 41.734 0.286 1
1 859 . 15 1 1 A 66 66 LEU N N 66 118.670 119.516 -0.846 1
1 860 . 15 1 1 A 67 67 ARG H H 67 7.620 8.445 -0.825 1
1 861 . 15 1 1 A 67 67 ARG HA H 67 3.939 3.872 0.067 1
1 868 . 15 1 1 A 67 67 ARG C C 67 178.960 178.887 0.073 1
1 869 . 15 1 1 A 67 67 ARG CA C 67 58.860 59.272 -0.412 1
1 870 . 15 1 1 A 67 67 ARG CB C 67 30.570 29.779 0.791 1
1 873 . 15 1 1 A 67 67 ARG N N 67 114.570 119.102 -4.532 1
1 874 . 15 1 1 A 68 68 THR H H 68 7.850 7.961 -0.111 1
1 875 . 15 1 1 A 68 68 THR HA H 68 4.040 3.760 0.280 1
1 880 . 15 1 1 A 68 68 THR C C 68 175.960 176.031 -0.071 1
1 881 . 15 1 1 A 68 68 THR CA C 68 66.160 66.634 -0.474 1
1 882 . 15 1 1 A 68 68 THR CB C 68 69.260 67.879 1.381 1
1 884 . 15 1 1 A 68 68 THR N N 68 112.630 117.091 -4.461 1
1 885 . 15 1 1 A 69 69 MET H H 69 7.934 7.774 0.160 1
1 886 . 15 1 1 A 69 69 MET HA H 69 4.734 4.175 0.559 1
1 894 . 15 1 1 A 69 69 MET C C 69 175.820 175.897 -0.077 1
1 895 . 15 1 1 A 69 69 MET CA C 69 53.560 54.886 -1.326 1
1 896 . 15 1 1 A 69 69 MET CB C 69 29.730 31.304 -1.574 1
1 899 . 15 1 1 A 69 69 MET N N 69 115.080 116.727 -1.647 1
1 900 . 15 1 1 A 70 70 GLN H H 70 7.003 7.480 -0.477 1
1 901 . 15 1 1 A 70 70 GLN HA H 70 4.043 3.915 0.128 1
1 908 . 15 1 1 A 70 70 GLN C C 70 178.020 177.281 0.739 1
1 909 . 15 1 1 A 70 70 GLN CA C 70 57.710 58.072 -0.362 1
1 910 . 15 1 1 A 70 70 GLN CB C 70 30.080 28.288 1.792 1
1 912 . 15 1 1 A 70 70 GLN N N 70 120.730 120.285 0.445 1
1 914 . 15 1 1 A 71 71 GLY H H 71 8.693 8.865 -0.172 1
1 915 . 15 1 1 A 71 71 GLY HA2 H 71 4.230 3.897 0.333 1
1 916 . 15 1 1 A 71 71 GLY HA3 H 71 3.817 3.900 -0.083 1
1 917 . 15 1 1 A 71 71 GLY C C 71 173.290 174.257 -0.967 1
1 918 . 15 1 1 A 71 71 GLY CA C 71 45.960 45.774 0.186 1
1 919 . 15 1 1 A 71 71 GLY N N 71 118.750 114.597 4.153 1
1 920 . 15 1 1 A 72 72 PHE H H 72 8.426 8.197 0.229 1
1 921 . 15 1 1 A 72 72 PHE HA H 72 4.641 4.467 0.174 1
1 926 . 15 1 1 A 72 72 PHE CA C 72 56.830 57.185 -0.355 1
1 927 . 15 1 1 A 72 72 PHE CB C 72 40.650 39.715 0.935 1
1 928 . 15 1 1 A 72 72 PHE N N 72 124.640 122.112 2.528 1
1 929 . 15 1 1 A 73 73 PRO HA H 73 4.052 4.852 -0.800 1
1 934 . 15 1 1 A 73 73 PRO C C 73 174.500 176.257 -1.757 1
1 935 . 15 1 1 A 73 73 PRO CA C 73 62.460 62.060 0.400 1
1 936 . 15 1 1 A 73 73 PRO CB C 73 30.700 29.004 1.696 1
1 939 . 15 1 1 A 74 74 PHE H H 74 8.382 8.593 -0.211 1
1 940 . 15 1 1 A 74 74 PHE HA H 74 4.235 4.342 -0.107 1
1 945 . 15 1 1 A 74 74 PHE C C 74 175.590 175.371 0.219 1
1 946 . 15 1 1 A 74 74 PHE CA C 74 56.440 61.735 -5.295 1
1 947 . 15 1 1 A 74 74 PHE CB C 74 42.540 39.694 2.846 1
1 950 . 15 1 1 A 74 74 PHE N N 74 128.220 123.876 4.344 1
1 951 . 15 1 1 A 75 75 TYR H H 75 9.185 7.855 1.330 1
1 952 . 15 1 1 A 75 75 TYR HA H 75 3.764 4.995 -1.231 1
1 957 . 15 1 1 A 75 75 TYR C C 75 175.210 175.053 0.157 1
1 958 . 15 1 1 A 75 75 TYR CA C 75 60.780 55.843 4.937 1
1 959 . 15 1 1 A 75 75 TYR CB C 75 36.110 38.788 -2.678 1
1 962 . 15 1 1 A 75 75 TYR N N 75 128.090 115.201 12.889 1
1 963 . 15 1 1 A 76 76 ASP H H 76 8.306 8.532 -0.226 1
1 964 . 15 1 1 A 76 76 ASP HA H 76 4.075 4.383 -0.308 1
1 967 . 15 1 1 A 76 76 ASP C C 76 175.390 175.079 0.311 1
1 968 . 15 1 1 A 76 76 ASP CA C 76 56.360 55.885 0.475 1
1 969 . 15 1 1 A 76 76 ASP CB C 76 40.510 40.563 -0.053 1
1 970 . 15 1 1 A 76 76 ASP N N 76 107.370 119.825 -12.455 1
1 971 . 15 1 1 A 77 77 LYS H H 77 7.687 8.110 -0.423 1
1 972 . 15 1 1 A 77 77 LYS HA H 77 5.020 4.520 0.500 1
1 981 . 15 1 1 A 77 77 LYS CA C 77 53.450 53.739 -0.289 1
1 982 . 15 1 1 A 77 77 LYS CB C 77 34.800 32.616 2.184 1
1 986 . 15 1 1 A 77 77 LYS N N 77 118.880 120.609 -1.729 1
1 987 . 15 1 1 A 78 78 PRO HA H 78 4.240 4.500 -0.260 1
1 994 . 15 1 1 A 78 78 PRO C C 78 177.470 177.224 0.246 1
1 995 . 15 1 1 A 78 78 PRO CA C 78 62.310 62.980 -0.670 1
1 996 . 15 1 1 A 78 78 PRO CB C 78 31.690 31.855 -0.165 1
1 999 . 15 1 1 A 79 79 MET H H 79 8.696 8.620 0.076 1
1 1000 . 15 1 1 A 79 79 MET HA H 79 4.289 4.452 -0.163 1
1 1008 . 15 1 1 A 79 79 MET C C 79 175.960 175.779 0.181 1
1 1009 . 15 1 1 A 79 79 MET CA C 79 58.600 56.698 1.902 1
1 1010 . 15 1 1 A 79 79 MET CB C 79 35.200 32.731 2.469 1
1 1013 . 15 1 1 A 79 79 MET N N 79 126.540 122.249 4.291 1
1 1014 . 15 1 1 A 80 80 GLN H H 80 7.779 8.737 -0.958 1
1 1015 . 15 1 1 A 80 80 GLN HA H 80 4.855 5.072 -0.217 1
1 1022 . 15 1 1 A 80 80 GLN C C 80 174.820 174.772 0.048 1
1 1023 . 15 1 1 A 80 80 GLN CA C 80 54.550 54.388 0.162 1
1 1024 . 15 1 1 A 80 80 GLN CB C 80 29.320 30.898 -1.578 1
1 1026 . 15 1 1 A 80 80 GLN N N 80 122.810 122.309 0.501 1
1 1028 . 15 1 1 A 81 81 ILE H H 81 9.682 9.080 0.602 1
1 1029 . 15 1 1 A 81 81 ILE HA H 81 5.010 5.072 -0.062 1
1 1039 . 15 1 1 A 81 81 ILE C C 81 174.710 174.501 0.209 1
1 1040 . 15 1 1 A 81 81 ILE CA C 81 60.900 59.775 1.125 1
1 1041 . 15 1 1 A 81 81 ILE CB C 81 40.120 42.063 -1.943 1
1 1045 . 15 1 1 A 81 81 ILE N N 81 126.070 124.195 1.875 1
1 1046 . 15 1 1 A 82 82 ALA H H 82 9.039 8.438 0.601 1
1 1047 . 15 1 1 A 82 82 ALA HA H 82 4.620 5.066 -0.446 1
1 1051 . 15 1 1 A 82 82 ALA C C 82 176.700 175.954 0.746 1
1 1052 . 15 1 1 A 82 82 ALA CA C 82 50.890 50.991 -0.101 1
1 1053 . 15 1 1 A 82 82 ALA CB C 82 23.420 23.344 0.076 1
1 1054 . 15 1 1 A 82 82 ALA N N 82 130.310 125.172 5.138 1
1 1055 . 15 1 1 A 83 83 TYR H H 83 8.411 8.652 -0.241 1
1 1056 . 15 1 1 A 83 83 TYR HA H 83 4.905 4.893 0.012 1
1 1061 . 15 1 1 A 83 83 TYR C C 83 176.900 174.949 1.951 1
1 1062 . 15 1 1 A 83 83 TYR CA C 83 59.280 56.861 2.419 1
1 1063 . 15 1 1 A 83 83 TYR CB C 83 39.350 40.194 -0.844 1
1 1065 . 15 1 1 A 83 83 TYR N N 83 118.580 119.270 -0.690 1
1 1066 . 15 1 1 A 84 84 SER H H 84 8.452 8.627 -0.175 1
1 1067 . 15 1 1 A 84 84 SER HA H 84 4.248 5.271 -1.023 1
1 1070 . 15 1 1 A 84 84 SER C C 84 174.220 173.112 1.108 1
1 1071 . 15 1 1 A 84 84 SER CA C 84 58.560 57.321 1.239 1
1 1072 . 15 1 1 A 84 84 SER CB C 84 64.100 67.243 -3.143 1
1 1073 . 15 1 1 A 84 84 SER N N 84 115.040 115.894 -0.854 1
1 1074 . 15 1 1 A 85 85 LYS H H 85 8.443 8.603 -0.160 1
1 1075 . 15 1 1 A 85 85 LYS HA H 85 4.275 5.084 -0.809 1
1 1080 . 15 1 1 A 85 85 LYS C C 85 177.080 176.367 0.713 1
1 1081 . 15 1 1 A 85 85 LYS CA C 85 56.960 54.272 2.688 1
1 1082 . 15 1 1 A 85 85 LYS CB C 85 33.150 36.213 -3.063 1
1 1086 . 15 1 1 A 85 85 LYS N N 85 123.610 119.991 3.619 1
1 1087 . 15 1 1 A 86 86 SER H H 86 8.204 8.603 -0.399 1
1 1088 . 15 1 1 A 86 86 SER HA H 86 4.335 4.489 -0.154 1
1 1090 . 15 1 1 A 86 86 SER C C 86 174.080 173.901 0.179 1
1 1091 . 15 1 1 A 86 86 SER CA C 86 58.400 58.872 -0.472 1
1 1092 . 15 1 1 A 86 86 SER CB C 86 63.750 63.933 -0.183 1
1 1093 . 15 1 1 A 86 86 SER N N 86 115.780 117.731 -1.951 1
1 1094 . 15 1 1 A 87 87 ASP H H 87 8.435 8.577 -0.142 1
1 1095 . 15 1 1 A 87 87 ASP HA H 87 4.578 5.008 -0.430 1
1 1098 . 15 1 1 A 87 87 ASP C C 87 176.630 176.077 0.553 1
1 1099 . 15 1 1 A 87 87 ASP CA C 87 54.260 53.501 0.759 1
1 1100 . 15 1 1 A 87 87 ASP CB C 87 40.780 43.498 -2.718 1
1 1101 . 15 1 1 A 87 87 ASP N N 87 121.910 123.087 -1.177 1
1 1102 . 15 1 1 A 88 88 SER H H 88 8.061 8.951 -0.890 1
1 1103 . 15 1 1 A 88 88 SER HA H 88 4.328 3.867 0.461 1
1 1106 . 15 1 1 A 88 88 SER C C 88 174.840 176.001 -1.161 1
1 1107 . 15 1 1 A 88 88 SER CA C 88 58.800 61.551 -2.751 1
1 1108 . 15 1 1 A 88 88 SER CB C 88 63.870 62.879 0.991 1
1 1109 . 15 1 1 A 88 88 SER N N 88 116.440 120.831 -4.391 1
1 1110 . 15 1 1 A 89 89 ASP H H 89 8.556 8.163 0.393 1
1 1111 . 15 1 1 A 89 89 ASP HA H 89 4.460 4.462 -0.002 1
1 1114 . 15 1 1 A 89 89 ASP C C 89 177.450 178.327 -0.877 1
1 1115 . 15 1 1 A 89 89 ASP CA C 89 56.110 57.722 -1.612 1
1 1116 . 15 1 1 A 89 89 ASP CB C 89 40.500 41.320 -0.820 1
1 1117 . 15 1 1 A 89 89 ASP N N 89 123.080 121.198 1.882 1
1 1118 . 15 1 1 A 90 90 ILE H H 90 7.756 7.817 -0.061 1
1 1119 . 15 1 1 A 90 90 ILE HA H 90 3.829 3.803 0.026 1
1 1129 . 15 1 1 A 90 90 ILE C C 90 177.060 178.082 -1.022 1
1 1130 . 15 1 1 A 90 90 ILE CA C 90 63.070 64.624 -1.554 1
1 1131 . 15 1 1 A 90 90 ILE CB C 90 38.290 37.393 0.897 1
1 1135 . 15 1 1 A 90 90 ILE N N 90 119.250 118.028 1.222 1
1 1136 . 15 1 1 A 91 91 VAL H H 91 7.459 8.418 -0.959 1
1 1137 . 15 1 1 A 91 91 VAL HA H 91 3.613 3.502 0.111 1
1 1145 . 15 1 1 A 91 91 VAL C C 91 177.080 177.992 -0.912 1
1 1146 . 15 1 1 A 91 91 VAL CA C 91 65.250 66.500 -1.250 1
1 1147 . 15 1 1 A 91 91 VAL CB C 91 31.970 31.466 0.504 1
1 1150 . 15 1 1 A 91 91 VAL N N 91 121.040 121.873 -0.833 1
1 1151 . 15 1 1 A 92 92 ALA H H 92 8.076 8.209 -0.133 1
1 1152 . 15 1 1 A 92 92 ALA HA H 92 4.098 4.042 0.056 1
1 1156 . 15 1 1 A 92 92 ALA C C 92 179.510 179.828 -0.318 1
1 1157 . 15 1 1 A 92 92 ALA CA C 92 54.180 55.784 -1.604 1
1 1158 . 15 1 1 A 92 92 ALA CB C 92 18.660 18.864 -0.204 1
1 1159 . 15 1 1 A 92 92 ALA N N 92 122.880 122.006 0.874 1
1 1160 . 15 1 1 A 93 93 LYS H H 93 7.946 8.028 -0.082 1
1 1161 . 15 1 1 A 93 93 LYS HA H 93 4.136 3.985 0.151 1
1 1170 . 15 1 1 A 93 93 LYS C C 93 178.300 179.408 -1.108 1
1 1171 . 15 1 1 A 93 93 LYS CA C 93 58.000 59.565 -1.565 1
1 1172 . 15 1 1 A 93 93 LYS CB C 93 32.550 32.438 0.112 1
1 1176 . 15 1 1 A 93 93 LYS N N 93 118.800 117.060 1.740 1
1 1177 . 15 1 1 A 94 94 ILE H H 94 7.894 7.766 0.128 1
1 1178 . 15 1 1 A 94 94 ILE HA H 94 3.906 3.863 0.043 1
1 1188 . 15 1 1 A 94 94 ILE C C 94 177.720 177.983 -0.263 1
1 1189 . 15 1 1 A 94 94 ILE CA C 94 63.200 64.022 -0.822 1
1 1190 . 15 1 1 A 94 94 ILE CB C 94 38.330 37.379 0.951 1
1 1194 . 15 1 1 A 94 94 ILE N N 94 120.760 116.842 3.918 1
1 1195 . 15 1 1 A 95 95 LYS H H 95 8.310 8.070 0.240 1
1 1196 . 15 1 1 A 95 95 LYS HA H 95 4.083 4.281 -0.198 1
1 1205 . 15 1 1 A 95 95 LYS C C 95 177.660 176.664 0.996 1
1 1206 . 15 1 1 A 95 95 LYS CA C 95 57.930 57.415 0.515 1
1 1207 . 15 1 1 A 95 95 LYS CB C 95 32.860 33.269 -0.409 1
1 1211 . 15 1 1 A 95 95 LYS N N 95 121.330 121.895 -0.565 1
1 1212 . 15 1 1 A 96 96 GLY H H 96 8.122 8.243 -0.121 1
1 1213 . 15 1 1 A 96 96 GLY HA2 H 96 3.999 4.049 -0.050 1
1 1214 . 15 1 1 A 96 96 GLY HA3 H 96 3.999 4.050 -0.051 1
1 1215 . 15 1 1 A 96 96 GLY C C 96 174.640 173.496 1.144 1
1 1216 . 15 1 1 A 96 96 GLY CA C 96 45.660 45.360 0.300 1
1 1217 . 15 1 1 A 96 96 GLY N N 96 107.870 107.619 0.251 1
1 1218 . 15 1 1 A 97 97 THR H H 97 7.968 7.637 0.331 1
1 1219 . 15 1 1 A 97 97 THR HA H 97 4.294 4.787 -0.493 1
1 1224 . 15 1 1 A 97 97 THR C C 97 174.590 174.825 -0.235 1
1 1225 . 15 1 1 A 97 97 THR CA C 97 62.160 59.835 2.325 1
1 1226 . 15 1 1 A 97 97 THR CB C 97 69.630 72.535 -2.905 1
1 1228 . 15 1 1 A 97 97 THR N N 97 112.820 110.100 2.720 1
1 1229 . 15 1 1 A 98 98 PHE H H 98 7.938 8.862 -0.924 1
1 1230 . 15 1 1 A 98 98 PHE HA H 98 4.552 4.162 0.390 1
1 1235 . 15 1 1 A 98 98 PHE C C 98 175.370 174.455 0.915 1
1 1236 . 15 1 1 A 98 98 PHE CA C 98 58.150 62.085 -3.935 1
1 1237 . 15 1 1 A 98 98 PHE CB C 98 39.550 39.286 0.264 1
1 1239 . 15 1 1 A 98 98 PHE N N 98 122.400 122.696 -0.296 1
1 1240 . 15 1 1 A 99 99 LYS H H 99 7.986 7.775 0.211 1
1 1241 . 15 1 1 A 99 99 LYS HA H 99 4.242 4.785 -0.543 1
1 1250 . 15 1 1 A 99 99 LYS C C 99 175.750 174.661 1.089 1
1 1251 . 15 1 1 A 99 99 LYS CA C 99 56.030 54.675 1.355 1
1 1252 . 15 1 1 A 99 99 LYS CB C 99 33.390 35.818 -2.428 1
1 1256 . 15 1 1 A 99 99 LYS N N 99 123.810 118.358 5.452 1
1 1257 . 15 1 1 A 100 100 GLU H H 100 8.247 8.731 -0.484 1
1 1258 . 15 1 1 A 100 100 GLU HA H 100 4.202 4.247 -0.045 1
1 1263 . 15 1 1 A 100 100 GLU C C 100 176.210 176.293 -0.083 1
1 1264 . 15 1 1 A 100 100 GLU CA C 100 56.270 57.051 -0.781 1
1 1265 . 15 1 1 A 100 100 GLU CB C 100 30.550 29.602 0.948 1
1 1267 . 15 1 1 A 100 100 GLU N N 100 122.270 124.669 -2.399 1
1 1268 . 15 1 1 A 101 101 ARG H H 101 8.415 9.065 -0.650 1
1 1269 . 15 1 1 A 101 101 ARG HA H 101 4.590 3.859 0.731 1
1 1276 . 15 1 1 A 101 101 ARG CA C 101 53.980 56.679 -2.699 1
1 1277 . 15 1 1 A 101 101 ARG CB C 101 30.070 28.680 1.390 1
1 1280 . 15 1 1 A 101 101 ARG N N 101 123.970 118.891 5.079 1
1 1281 . 15 1 1 A 102 102 PRO HA H 102 4.421 4.377 0.044 1
1 1288 . 15 1 1 A 102 102 PRO C C 102 176.700 176.865 -0.165 1
1 1289 . 15 1 1 A 102 102 PRO CA C 102 63.090 65.076 -1.986 1
1 1290 . 15 1 1 A 102 102 PRO CB C 102 32.160 31.954 0.206 1
1 1293 . 15 1 1 A 103 103 LYS H H 103 8.445 8.102 0.343 1
1 1294 . 15 1 1 A 103 103 LYS HA H 103 4.294 4.571 -0.277 1
1 1303 . 15 1 1 A 103 103 LYS C C 103 175.690 176.291 -0.601 1
1 1304 . 15 1 1 A 103 103 LYS CA C 103 56.380 55.595 0.785 1
1 1305 . 15 1 1 A 103 103 LYS CB C 103 33.150 32.478 0.672 1
1 1309 . 15 1 1 A 103 103 LYS N N 103 122.480 116.831 5.649 1
1 1 . 16 1 1 A 2 2 GLU HA H 2 4.372 5.099 -0.727 1
1 6 . 16 1 1 A 2 2 GLU C C 2 175.830 173.558 2.272 1
1 7 . 16 1 1 A 2 2 GLU CA C 2 56.340 54.990 1.350 1
1 8 . 16 1 1 A 2 2 GLU CB C 2 30.550 33.491 -2.941 1
1 10 . 16 1 1 A 3 3 MET H H 3 8.529 8.821 -0.292 1
1 11 . 16 1 1 A 3 3 MET HA H 3 4.534 5.241 -0.707 1
1 19 . 16 1 1 A 3 3 MET C C 3 175.350 175.643 -0.293 1
1 20 . 16 1 1 A 3 3 MET CA C 3 54.950 54.426 0.524 1
1 21 . 16 1 1 A 3 3 MET CB C 3 33.150 35.963 -2.813 1
1 24 . 16 1 1 A 3 3 MET N N 3 122.340 119.829 2.511 1
1 25 . 16 1 1 A 4 4 LEU H H 4 8.265 8.670 -0.405 1
1 26 . 16 1 1 A 4 4 LEU HA H 4 4.579 4.429 0.150 1
1 36 . 16 1 1 A 4 4 LEU CA C 4 52.620 53.885 -1.265 1
1 37 . 16 1 1 A 4 4 LEU CB C 4 41.780 41.859 -0.079 1
1 41 . 16 1 1 A 4 4 LEU N N 4 125.280 122.767 2.513 1
1 42 . 16 1 1 A 5 5 PRO HA H 5 4.268 4.650 -0.382 1
1 49 . 16 1 1 A 5 5 PRO C C 5 175.390 175.226 0.164 1
1 50 . 16 1 1 A 5 5 PRO CA C 5 62.620 63.142 -0.522 1
1 51 . 16 1 1 A 5 5 PRO CB C 5 32.300 32.403 -0.103 1
1 54 . 16 1 1 A 6 6 ASN H H 6 6.913 8.994 -2.081 1
1 55 . 16 1 1 A 6 6 ASN HA H 6 4.460 5.130 -0.670 1
1 60 . 16 1 1 A 6 6 ASN C C 6 172.390 174.974 -2.584 1
1 61 . 16 1 1 A 6 6 ASN CA C 6 52.920 52.417 0.503 1
1 62 . 16 1 1 A 6 6 ASN CB C 6 41.920 41.858 0.062 1
1 63 . 16 1 1 A 6 6 ASN N N 6 117.610 120.274 -2.664 1
1 65 . 16 1 1 A 7 7 GLN H H 7 8.465 8.805 -0.340 1
1 66 . 16 1 1 A 7 7 GLN HA H 7 4.164 4.333 -0.169 1
1 73 . 16 1 1 A 7 7 GLN C C 7 175.020 175.417 -0.397 1
1 74 . 16 1 1 A 7 7 GLN CA C 7 58.100 57.412 0.688 1
1 75 . 16 1 1 A 7 7 GLN CB C 7 29.270 29.172 0.098 1
1 77 . 16 1 1 A 7 7 GLN N N 7 116.430 122.185 -5.755 1
1 79 . 16 1 1 A 8 8 THR H H 8 8.374 7.750 0.624 1
1 80 . 16 1 1 A 8 8 THR HA H 8 5.399 5.548 -0.149 1
1 85 . 16 1 1 A 8 8 THR C C 8 173.700 174.093 -0.393 1
1 86 . 16 1 1 A 8 8 THR CA C 8 62.380 61.563 0.817 1
1 87 . 16 1 1 A 8 8 THR CB C 8 69.100 72.932 -3.832 1
1 89 . 16 1 1 A 8 8 THR N N 8 118.220 111.715 6.505 1
1 90 . 16 1 1 A 9 9 ILE H H 9 8.794 9.241 -0.447 1
1 91 . 16 1 1 A 9 9 ILE HA H 9 5.085 5.473 -0.388 1
1 101 . 16 1 1 A 9 9 ILE C C 9 173.490 174.070 -0.580 1
1 102 . 16 1 1 A 9 9 ILE CA C 9 59.000 59.261 -0.261 1
1 103 . 16 1 1 A 9 9 ILE CB C 9 39.710 42.688 -2.978 1
1 107 . 16 1 1 A 9 9 ILE N N 9 118.250 119.608 -1.358 1
1 108 . 16 1 1 A 10 10 TYR H H 10 9.384 9.180 0.204 1
1 109 . 16 1 1 A 10 10 TYR HA H 10 5.032 5.073 -0.041 1
1 116 . 16 1 1 A 10 10 TYR C C 10 173.920 173.669 0.251 1
1 117 . 16 1 1 A 10 10 TYR CA C 10 55.240 56.078 -0.838 1
1 118 . 16 1 1 A 10 10 TYR CB C 10 40.700 41.715 -1.015 1
1 123 . 16 1 1 A 10 10 TYR N N 10 124.310 123.830 0.480 1
1 124 . 16 1 1 A 11 11 ILE H H 11 9.000 9.056 -0.056 1
1 125 . 16 1 1 A 11 11 ILE HA H 11 4.629 4.671 -0.042 1
1 135 . 16 1 1 A 11 11 ILE C C 11 180.280 174.624 5.656 1
1 136 . 16 1 1 A 11 11 ILE CA C 11 60.050 59.659 0.391 1
1 137 . 16 1 1 A 11 11 ILE CB C 11 40.350 39.921 0.429 1
1 141 . 16 1 1 A 11 11 ILE N N 11 126.640 128.815 -2.175 1
1 142 . 16 1 1 A 12 12 ASN H H 12 8.844 8.998 -0.154 1
1 143 . 16 1 1 A 12 12 ASN HA H 12 5.267 4.746 0.521 1
1 148 . 16 1 1 A 12 12 ASN C C 12 174.640 174.235 0.405 1
1 149 . 16 1 1 A 12 12 ASN CA C 12 50.860 51.331 -0.471 1
1 150 . 16 1 1 A 12 12 ASN CB C 12 41.400 41.848 -0.448 1
1 151 . 16 1 1 A 12 12 ASN N N 12 123.520 123.343 0.177 1
1 153 . 16 1 1 A 13 13 ASN H H 13 8.689 8.898 -0.209 1
1 154 . 16 1 1 A 13 13 ASN HA H 13 4.456 4.289 0.167 1
1 159 . 16 1 1 A 13 13 ASN C C 13 176.140 175.089 1.051 1
1 160 . 16 1 1 A 13 13 ASN CA C 13 53.920 54.046 -0.126 1
1 161 . 16 1 1 A 13 13 ASN CB C 13 39.360 37.885 1.475 1
1 162 . 16 1 1 A 13 13 ASN N N 13 115.910 120.423 -4.513 1
1 164 . 16 1 1 A 14 14 LEU H H 14 8.221 7.998 0.223 1
1 165 . 16 1 1 A 14 14 LEU HA H 14 4.350 4.266 0.084 1
1 175 . 16 1 1 A 14 14 LEU C C 14 177.880 175.632 2.248 1
1 176 . 16 1 1 A 14 14 LEU CA C 14 54.000 55.208 -1.208 1
1 177 . 16 1 1 A 14 14 LEU CB C 14 42.830 42.864 -0.034 1
1 181 . 16 1 1 A 14 14 LEU N N 14 116.310 120.002 -3.692 1
1 182 . 16 1 1 A 15 15 ASN H H 15 9.226 8.770 0.456 1
1 183 . 16 1 1 A 15 15 ASN HA H 15 4.225 4.768 -0.543 1
1 188 . 16 1 1 A 15 15 ASN C C 15 176.150 176.689 -0.539 1
1 189 . 16 1 1 A 15 15 ASN CA C 15 54.210 53.769 0.441 1
1 190 . 16 1 1 A 15 15 ASN CB C 15 38.050 40.033 -1.983 1
1 191 . 16 1 1 A 15 15 ASN N N 15 120.300 124.338 -4.038 1
1 193 . 16 1 1 A 16 16 GLU H H 16 9.234 8.876 0.358 1
1 194 . 16 1 1 A 16 16 GLU HA H 16 4.110 4.287 -0.177 1
1 199 . 16 1 1 A 16 16 GLU C C 16 176.510 178.434 -1.924 1
1 200 . 16 1 1 A 16 16 GLU CA C 16 57.800 58.696 -0.896 1
1 201 . 16 1 1 A 16 16 GLU CB C 16 29.300 29.005 0.295 1
1 203 . 16 1 1 A 16 16 GLU N N 16 128.160 126.119 2.041 1
1 204 . 16 1 1 A 17 17 LYS H H 17 8.421 8.352 0.069 1
1 205 . 16 1 1 A 17 17 LYS HA H 17 4.170 4.148 0.022 1
1 214 . 16 1 1 A 17 17 LYS C C 17 176.700 177.046 -0.346 1
1 215 . 16 1 1 A 17 17 LYS CA C 17 56.750 59.019 -2.269 1
1 216 . 16 1 1 A 17 17 LYS CB C 17 32.370 31.910 0.460 1
1 220 . 16 1 1 A 17 17 LYS N N 17 118.450 118.134 0.316 1
1 221 . 16 1 1 A 18 18 ILE H H 18 6.751 7.384 -0.633 1
1 222 . 16 1 1 A 18 18 ILE HA H 18 3.830 3.934 -0.104 1
1 232 . 16 1 1 A 18 18 ILE C C 18 176.560 175.984 0.576 1
1 233 . 16 1 1 A 18 18 ILE CA C 18 58.640 62.107 -3.467 1
1 234 . 16 1 1 A 18 18 ILE CB C 18 35.940 38.307 -2.367 1
1 238 . 16 1 1 A 18 18 ILE N N 18 118.790 121.906 -3.116 1
1 239 . 16 1 1 A 19 19 LYS H H 19 8.815 8.740 0.075 1
1 240 . 16 1 1 A 19 19 LYS HA H 19 4.189 4.308 -0.119 1
1 249 . 16 1 1 A 19 19 LYS C C 19 178.340 177.804 0.536 1
1 250 . 16 1 1 A 19 19 LYS CA C 19 57.250 55.779 1.471 1
1 251 . 16 1 1 A 19 19 LYS CB C 19 32.800 33.651 -0.851 1
1 255 . 16 1 1 A 19 19 LYS N N 19 129.030 128.303 0.727 1
1 256 . 16 1 1 A 20 20 LYS H H 20 9.032 9.004 0.028 1
1 257 . 16 1 1 A 20 20 LYS HA H 20 3.854 3.897 -0.043 1
1 266 . 16 1 1 A 20 20 LYS C C 20 178.390 177.906 0.484 1
1 267 . 16 1 1 A 20 20 LYS CA C 20 59.740 60.302 -0.562 1
1 268 . 16 1 1 A 20 20 LYS CB C 20 31.390 32.024 -0.634 1
1 272 . 16 1 1 A 20 20 LYS N N 20 123.440 126.926 -3.486 1
1 273 . 16 1 1 A 21 21 GLU H H 21 9.341 8.064 1.277 1
1 274 . 16 1 1 A 21 21 GLU HA H 21 4.074 4.088 -0.014 1
1 279 . 16 1 1 A 21 21 GLU C C 21 179.120 179.247 -0.127 1
1 280 . 16 1 1 A 21 21 GLU CA C 21 60.270 59.625 0.645 1
1 281 . 16 1 1 A 21 21 GLU CB C 21 28.840 29.086 -0.246 1
1 283 . 16 1 1 A 21 21 GLU N N 21 117.890 118.286 -0.396 1
1 284 . 16 1 1 A 22 22 GLU H H 22 6.994 8.204 -1.210 1
1 285 . 16 1 1 A 22 22 GLU HA H 22 4.166 4.041 0.125 1
1 290 . 16 1 1 A 22 22 GLU C C 22 178.200 179.152 -0.952 1
1 291 . 16 1 1 A 22 22 GLU CA C 22 58.530 58.989 -0.459 1
1 292 . 16 1 1 A 22 22 GLU CB C 22 29.180 29.748 -0.568 1
1 294 . 16 1 1 A 22 22 GLU N N 22 119.810 119.769 0.041 1
1 295 . 16 1 1 A 23 23 LEU H H 23 8.462 8.453 0.009 1
1 296 . 16 1 1 A 23 23 LEU HA H 23 3.981 4.269 -0.288 1
1 306 . 16 1 1 A 23 23 LEU C C 23 178.780 178.683 0.097 1
1 307 . 16 1 1 A 23 23 LEU CA C 23 58.840 58.349 0.491 1
1 308 . 16 1 1 A 23 23 LEU CB C 23 42.420 41.872 0.548 1
1 312 . 16 1 1 A 23 23 LEU N N 23 121.220 121.500 -0.280 1
1 313 . 16 1 1 A 24 24 LYS H H 24 8.411 8.394 0.017 1
1 314 . 16 1 1 A 24 24 LYS HA H 24 3.808 3.705 0.103 1
1 323 . 16 1 1 A 24 24 LYS C C 24 178.200 179.958 -1.758 1
1 324 . 16 1 1 A 24 24 LYS CA C 24 61.500 60.325 1.175 1
1 325 . 16 1 1 A 24 24 LYS CB C 24 32.500 32.383 0.117 1
1 329 . 16 1 1 A 24 24 LYS N N 24 116.620 118.574 -1.954 1
1 330 . 16 1 1 A 25 25 LYS H H 25 7.592 8.270 -0.678 1
1 331 . 16 1 1 A 25 25 LYS HA H 25 4.181 4.183 -0.002 1
1 340 . 16 1 1 A 25 25 LYS C C 25 180.280 179.510 0.770 1
1 341 . 16 1 1 A 25 25 LYS CA C 25 60.140 59.353 0.787 1
1 342 . 16 1 1 A 25 25 LYS CB C 25 32.690 31.996 0.694 1
1 346 . 16 1 1 A 25 25 LYS N N 25 118.830 119.902 -1.072 1
1 347 . 16 1 1 A 26 26 SER H H 26 8.845 8.350 0.495 1
1 348 . 16 1 1 A 26 26 SER HA H 26 4.570 4.215 0.355 1
1 351 . 16 1 1 A 26 26 SER C C 26 176.880 176.503 0.377 1
1 352 . 16 1 1 A 26 26 SER CA C 26 62.210 62.587 -0.377 1
1 353 . 16 1 1 A 26 26 SER CB C 26 63.320 63.256 0.064 1
1 354 . 16 1 1 A 26 26 SER N N 26 117.880 116.845 1.035 1
1 355 . 16 1 1 A 27 27 LEU H H 27 9.040 8.425 0.615 1
1 356 . 16 1 1 A 27 27 LEU HA H 27 4.190 4.119 0.071 1
1 366 . 16 1 1 A 27 27 LEU C C 27 179.100 178.754 0.346 1
1 367 . 16 1 1 A 27 27 LEU CA C 27 57.960 57.666 0.294 1
1 368 . 16 1 1 A 27 27 LEU CB C 27 43.030 41.853 1.177 1
1 372 . 16 1 1 A 27 27 LEU N N 27 122.840 121.215 1.625 1
1 373 . 16 1 1 A 28 28 TYR H H 28 8.535 8.214 0.321 1
1 374 . 16 1 1 A 28 28 TYR HA H 28 3.826 4.382 -0.556 1
1 379 . 16 1 1 A 28 28 TYR C C 28 178.360 177.979 0.381 1
1 380 . 16 1 1 A 28 28 TYR CA C 28 63.220 61.520 1.700 1
1 381 . 16 1 1 A 28 28 TYR CB C 28 38.320 37.429 0.891 1
1 384 . 16 1 1 A 28 28 TYR N N 28 121.030 118.504 2.526 1
1 385 . 16 1 1 A 29 29 ALA H H 29 8.009 8.152 -0.143 1
1 386 . 16 1 1 A 29 29 ALA HA H 29 3.364 4.186 -0.822 1
1 390 . 16 1 1 A 29 29 ALA CA C 29 55.420 54.941 0.479 1
1 391 . 16 1 1 A 29 29 ALA CB C 29 18.920 18.993 -0.073 1
1 392 . 16 1 1 A 29 29 ALA N N 29 120.570 122.204 -1.634 1
1 393 . 16 1 1 A 30 30 ILE HA H 30 4.048 4.359 -0.311 1
1 403 . 16 1 1 A 30 30 ILE C C 30 177.270 177.615 -0.345 1
1 404 . 16 1 1 A 30 30 ILE CA C 30 63.380 61.838 1.542 1
1 405 . 16 1 1 A 30 30 ILE CB C 30 38.850 39.386 -0.536 1
1 409 . 16 1 1 A 31 31 PHE H H 31 8.446 8.568 -0.122 1
1 410 . 16 1 1 A 31 31 PHE HA H 31 4.900 4.499 0.401 1
1 415 . 16 1 1 A 31 31 PHE C C 31 177.820 178.771 -0.951 1
1 416 . 16 1 1 A 31 31 PHE CA C 31 62.380 60.122 2.258 1
1 417 . 16 1 1 A 31 31 PHE CB C 31 38.900 37.840 1.060 1
1 418 . 16 1 1 A 31 31 PHE N N 31 115.770 121.657 -5.887 1
1 419 . 16 1 1 A 32 32 SER H H 32 8.392 8.362 0.030 1
1 420 . 16 1 1 A 32 32 SER HA H 32 4.365 4.703 -0.338 1
1 423 . 16 1 1 A 32 32 SER C C 32 176.140 175.893 0.247 1
1 424 . 16 1 1 A 32 32 SER CA C 32 61.680 61.889 -0.209 1
1 425 . 16 1 1 A 32 32 SER CB C 32 62.460 63.272 -0.812 1
1 426 . 16 1 1 A 32 32 SER N N 32 116.890 115.577 1.313 1
1 427 . 16 1 1 A 33 33 GLN H H 33 7.310 7.717 -0.407 1
1 428 . 16 1 1 A 33 33 GLN HA H 33 4.059 4.005 0.054 1
1 435 . 16 1 1 A 33 33 GLN C C 33 176.330 176.330 0.000 1
1 436 . 16 1 1 A 33 33 GLN CA C 33 57.220 57.606 -0.386 1
1 437 . 16 1 1 A 33 33 GLN CB C 33 28.040 28.273 -0.233 1
1 439 . 16 1 1 A 33 33 GLN N N 33 117.530 119.718 -2.188 1
1 441 . 16 1 1 A 34 34 PHE H H 34 7.626 7.822 -0.196 1
1 442 . 16 1 1 A 34 34 PHE HA H 34 4.435 4.717 -0.282 1
1 447 . 16 1 1 A 34 34 PHE C C 34 175.590 175.999 -0.409 1
1 448 . 16 1 1 A 34 34 PHE CA C 34 59.410 58.784 0.626 1
1 449 . 16 1 1 A 34 34 PHE CB C 34 39.380 41.400 -2.020 1
1 452 . 16 1 1 A 34 34 PHE N N 34 116.090 114.606 1.484 1
1 453 . 16 1 1 A 35 35 GLY H H 35 7.595 7.864 -0.269 1
1 454 . 16 1 1 A 35 35 GLY HA2 H 35 3.960 4.103 -0.143 1
1 455 . 16 1 1 A 35 35 GLY HA3 H 35 4.612 4.190 0.422 1
1 456 . 16 1 1 A 35 35 GLY C C 35 170.890 173.057 -2.167 1
1 457 . 16 1 1 A 35 35 GLY CA C 35 44.160 45.031 -0.871 1
1 458 . 16 1 1 A 35 35 GLY N N 35 107.470 104.157 3.313 1
1 459 . 16 1 1 A 36 36 GLN H H 36 8.404 8.763 -0.359 1
1 460 . 16 1 1 A 36 36 GLN HA H 36 4.275 4.424 -0.149 1
1 467 . 16 1 1 A 36 36 GLN C C 36 176.650 176.196 0.454 1
1 468 . 16 1 1 A 36 36 GLN CA C 36 57.180 56.583 0.597 1
1 469 . 16 1 1 A 36 36 GLN CB C 36 29.360 29.094 0.266 1
1 471 . 16 1 1 A 36 36 GLN N N 36 116.620 124.510 -7.890 1
1 473 . 16 1 1 A 37 37 ILE H H 37 9.009 8.514 0.495 1
1 474 . 16 1 1 A 37 37 ILE HA H 37 4.068 3.929 0.139 1
1 484 . 16 1 1 A 37 37 ILE C C 37 176.530 175.904 0.626 1
1 485 . 16 1 1 A 37 37 ILE CA C 37 61.270 62.106 -0.836 1
1 486 . 16 1 1 A 37 37 ILE CB C 37 40.600 38.114 2.486 1
1 490 . 16 1 1 A 37 37 ILE N N 37 129.370 128.080 1.290 1
1 491 . 16 1 1 A 38 38 LEU H H 38 9.472 9.332 0.140 1
1 492 . 16 1 1 A 38 38 LEU HA H 38 4.291 4.568 -0.277 1
1 502 . 16 1 1 A 38 38 LEU C C 38 176.900 175.444 1.456 1
1 503 . 16 1 1 A 38 38 LEU CA C 38 56.520 55.891 0.629 1
1 504 . 16 1 1 A 38 38 LEU CB C 38 42.030 45.104 -3.074 1
1 508 . 16 1 1 A 38 38 LEU N N 38 128.180 127.648 0.532 1
1 509 . 16 1 1 A 39 39 ASP H H 39 7.493 7.659 -0.166 1
1 510 . 16 1 1 A 39 39 ASP HA H 39 4.715 4.988 -0.273 1
1 513 . 16 1 1 A 39 39 ASP C C 39 173.560 173.729 -0.169 1
1 514 . 16 1 1 A 39 39 ASP CA C 39 53.510 53.515 -0.005 1
1 515 . 16 1 1 A 39 39 ASP CB C 39 44.160 43.765 0.395 1
1 516 . 16 1 1 A 39 39 ASP N N 39 114.640 117.263 -2.623 1
1 517 . 16 1 1 A 40 40 ILE H H 40 8.537 8.514 0.023 1
1 518 . 16 1 1 A 40 40 ILE HA H 40 4.722 4.783 -0.061 1
1 528 . 16 1 1 A 40 40 ILE C C 40 174.090 174.865 -0.775 1
1 529 . 16 1 1 A 40 40 ILE CA C 40 61.060 59.826 1.234 1
1 530 . 16 1 1 A 40 40 ILE CB C 40 41.220 42.146 -0.926 1
1 534 . 16 1 1 A 40 40 ILE N N 40 119.670 121.910 -2.240 1
1 535 . 16 1 1 A 41 41 VAL H H 41 8.807 8.828 -0.021 1
1 536 . 16 1 1 A 41 41 VAL HA H 41 4.195 4.899 -0.704 1
1 544 . 16 1 1 A 41 41 VAL C C 41 174.470 174.509 -0.039 1
1 545 . 16 1 1 A 41 41 VAL CA C 41 61.020 61.099 -0.079 1
1 546 . 16 1 1 A 41 41 VAL CB C 41 34.160 34.560 -0.400 1
1 549 . 16 1 1 A 41 41 VAL N N 41 127.000 126.004 0.996 1
1 550 . 16 1 1 A 42 42 ALA H H 42 8.708 8.877 -0.169 1
1 551 . 16 1 1 A 42 42 ALA HA H 42 4.796 5.275 -0.479 1
1 555 . 16 1 1 A 42 42 ALA C C 42 175.210 175.654 -0.444 1
1 556 . 16 1 1 A 42 42 ALA CA C 42 51.430 50.655 0.775 1
1 557 . 16 1 1 A 42 42 ALA CB C 42 19.780 23.770 -3.990 1
1 558 . 16 1 1 A 42 42 ALA N N 42 130.100 128.090 2.010 1
1 559 . 16 1 1 A 43 43 LEU H H 43 8.224 8.424 -0.200 1
1 560 . 16 1 1 A 43 43 LEU HA H 43 4.575 4.800 -0.225 1
1 570 . 16 1 1 A 43 43 LEU CA C 43 54.620 53.874 0.746 1
1 571 . 16 1 1 A 43 43 LEU CB C 43 43.640 44.630 -0.990 1
1 575 . 16 1 1 A 43 43 LEU N N 43 122.270 121.068 1.202 1
1 576 . 16 1 1 A 44 44 LYS HA H 44 4.570 4.276 0.294 1
1 585 . 16 1 1 A 44 44 LYS CA C 44 56.000 57.829 -1.829 1
1 586 . 16 1 1 A 44 44 LYS CB C 44 32.940 32.652 0.288 1
1 590 . 16 1 1 A 45 45 THR H H 45 7.706 7.422 0.284 1
1 591 . 16 1 1 A 45 45 THR HA H 45 4.494 4.190 0.304 1
1 596 . 16 1 1 A 45 45 THR CA C 45 60.500 61.961 -1.461 1
1 597 . 16 1 1 A 45 45 THR CB C 45 70.450 69.935 0.515 1
1 599 . 16 1 1 A 45 45 THR N N 45 113.650 112.719 0.931 1
1 600 . 16 1 1 A 46 46 LEU HA H 46 4.142 4.020 0.122 1
1 610 . 16 1 1 A 46 46 LEU C C 46 179.030 178.424 0.606 1
1 611 . 16 1 1 A 46 46 LEU CA C 46 57.630 58.761 -1.131 1
1 612 . 16 1 1 A 46 46 LEU CB C 46 42.020 41.412 0.608 1
1 616 . 16 1 1 A 47 47 LYS H H 47 8.325 8.658 -0.333 1
1 617 . 16 1 1 A 47 47 LYS HA H 47 4.139 4.191 -0.052 1
1 626 . 16 1 1 A 47 47 LYS C C 47 176.700 177.338 -0.638 1
1 627 . 16 1 1 A 47 47 LYS CA C 47 57.800 58.892 -1.092 1
1 628 . 16 1 1 A 47 47 LYS CB C 47 32.440 31.632 0.808 1
1 632 . 16 1 1 A 47 47 LYS N N 47 116.870 116.830 0.040 1
1 633 . 16 1 1 A 48 48 MET H H 48 7.649 8.055 -0.406 1
1 634 . 16 1 1 A 48 48 MET HA H 48 4.581 4.686 -0.105 1
1 642 . 16 1 1 A 48 48 MET C C 48 175.550 176.668 -1.118 1
1 643 . 16 1 1 A 48 48 MET CA C 48 54.970 55.403 -0.433 1
1 644 . 16 1 1 A 48 48 MET CB C 48 32.770 34.129 -1.359 1
1 647 . 16 1 1 A 48 48 MET N N 48 116.090 118.397 -2.307 1
1 648 . 16 1 1 A 49 49 ARG H H 49 7.653 7.961 -0.308 1
1 649 . 16 1 1 A 49 49 ARG HA H 49 4.377 4.054 0.323 1
1 656 . 16 1 1 A 49 49 ARG C C 49 177.450 178.000 -0.550 1
1 657 . 16 1 1 A 49 49 ARG CA C 49 57.250 59.676 -2.426 1
1 658 . 16 1 1 A 49 49 ARG CB C 49 30.400 30.088 0.312 1
1 661 . 16 1 1 A 49 49 ARG N N 49 119.580 122.025 -2.445 1
1 662 . 16 1 1 A 50 50 GLY H H 50 9.177 7.932 1.245 1
1 663 . 16 1 1 A 50 50 GLY HA2 H 50 3.960 3.970 -0.010 1
1 664 . 16 1 1 A 50 50 GLY HA3 H 50 4.107 3.972 0.135 1
1 665 . 16 1 1 A 50 50 GLY C C 50 172.960 173.737 -0.777 1
1 666 . 16 1 1 A 50 50 GLY CA C 50 46.140 45.269 0.871 1
1 667 . 16 1 1 A 50 50 GLY N N 50 111.640 106.007 5.633 1
1 668 . 16 1 1 A 51 51 GLN H H 51 7.853 7.538 0.315 1
1 669 . 16 1 1 A 51 51 GLN HA H 51 5.516 4.697 0.819 1
1 675 . 16 1 1 A 51 51 GLN C C 51 174.800 173.862 0.938 1
1 676 . 16 1 1 A 51 51 GLN CA C 51 54.160 54.059 0.101 1
1 677 . 16 1 1 A 51 51 GLN CB C 51 34.330 31.854 2.476 1
1 679 . 16 1 1 A 51 51 GLN N N 51 117.000 117.068 -0.068 1
1 681 . 16 1 1 A 52 52 ALA H H 52 8.765 8.192 0.573 1
1 682 . 16 1 1 A 52 52 ALA HA H 52 5.098 4.910 0.188 1
1 686 . 16 1 1 A 52 52 ALA C C 52 174.820 175.298 -0.478 1
1 687 . 16 1 1 A 52 52 ALA CA C 52 51.170 51.140 0.030 1
1 688 . 16 1 1 A 52 52 ALA CB C 52 23.350 23.083 0.267 1
1 689 . 16 1 1 A 52 52 ALA N N 52 121.050 120.861 0.189 1
1 690 . 16 1 1 A 53 53 PHE H H 53 8.840 8.998 -0.158 1
1 691 . 16 1 1 A 53 53 PHE HA H 53 5.615 5.650 -0.035 1
1 696 . 16 1 1 A 53 53 PHE C C 53 174.870 174.682 0.188 1
1 697 . 16 1 1 A 53 53 PHE CA C 53 55.770 56.564 -0.794 1
1 698 . 16 1 1 A 53 53 PHE CB C 53 41.530 43.410 -1.880 1
1 701 . 16 1 1 A 53 53 PHE N N 53 115.860 117.796 -1.936 1
1 702 . 16 1 1 A 54 54 VAL H H 54 8.766 8.651 0.115 1
1 703 . 16 1 1 A 54 54 VAL HA H 54 4.169 4.556 -0.387 1
1 711 . 16 1 1 A 54 54 VAL C C 54 173.330 173.759 -0.429 1
1 712 . 16 1 1 A 54 54 VAL CA C 54 61.920 60.303 1.617 1
1 713 . 16 1 1 A 54 54 VAL CB C 54 32.860 35.271 -2.411 1
1 716 . 16 1 1 A 54 54 VAL N N 54 121.920 119.743 2.177 1
1 717 . 16 1 1 A 55 55 ILE H H 55 8.319 9.089 -0.770 1
1 718 . 16 1 1 A 55 55 ILE HA H 55 4.512 4.969 -0.457 1
1 728 . 16 1 1 A 55 55 ILE C C 55 173.920 174.770 -0.850 1
1 729 . 16 1 1 A 55 55 ILE CA C 55 60.880 60.108 0.772 1
1 730 . 16 1 1 A 55 55 ILE CB C 55 39.130 39.587 -0.457 1
1 734 . 16 1 1 A 55 55 ILE N N 55 126.350 128.978 -2.628 1
1 735 . 16 1 1 A 56 56 PHE H H 56 9.009 9.221 -0.212 1
1 736 . 16 1 1 A 56 56 PHE HA H 56 4.889 4.943 -0.054 1
1 741 . 16 1 1 A 56 56 PHE C C 56 175.180 176.164 -0.984 1
1 742 . 16 1 1 A 56 56 PHE CA C 56 59.030 56.908 2.122 1
1 743 . 16 1 1 A 56 56 PHE CB C 56 40.320 43.131 -2.811 1
1 744 . 16 1 1 A 56 56 PHE N N 56 126.440 125.131 1.309 1
1 745 . 16 1 1 A 57 57 LYS H H 57 8.191 8.831 -0.640 1
1 746 . 16 1 1 A 57 57 LYS HA H 57 3.969 4.255 -0.286 1
1 755 . 16 1 1 A 57 57 LYS C C 57 176.140 176.466 -0.326 1
1 756 . 16 1 1 A 57 57 LYS CA C 57 59.290 57.837 1.453 1
1 757 . 16 1 1 A 57 57 LYS CB C 57 33.850 33.096 0.754 1
1 761 . 16 1 1 A 57 57 LYS N N 57 119.130 120.632 -1.502 1
1 762 . 16 1 1 A 58 58 GLU H H 58 8.614 7.831 0.783 1
1 763 . 16 1 1 A 58 58 GLU HA H 58 4.850 4.695 0.155 1
1 768 . 16 1 1 A 58 58 GLU C C 58 177.130 176.172 0.958 1
1 769 . 16 1 1 A 58 58 GLU CA C 58 54.130 55.838 -1.708 1
1 770 . 16 1 1 A 58 58 GLU CB C 58 32.230 32.899 -0.669 1
1 772 . 16 1 1 A 58 58 GLU N N 58 114.350 117.755 -3.405 1
1 773 . 16 1 1 A 59 59 ILE H H 59 8.825 8.739 0.086 1
1 774 . 16 1 1 A 59 59 ILE HA H 59 3.499 3.821 -0.322 1
1 784 . 16 1 1 A 59 59 ILE C C 59 177.650 178.113 -0.463 1
1 785 . 16 1 1 A 59 59 ILE CA C 59 65.660 64.292 1.368 1
1 786 . 16 1 1 A 59 59 ILE CB C 59 38.040 37.730 0.310 1
1 790 . 16 1 1 A 59 59 ILE N N 59 122.940 123.234 -0.294 1
1 791 . 16 1 1 A 60 60 GLY H H 60 8.875 8.492 0.383 1
1 792 . 16 1 1 A 60 60 GLY HA2 H 60 3.780 3.808 -0.028 1
1 793 . 16 1 1 A 60 60 GLY HA3 H 60 3.925 3.820 0.105 1
1 794 . 16 1 1 A 60 60 GLY C C 60 176.700 176.400 0.300 1
1 795 . 16 1 1 A 60 60 GLY CA C 60 47.070 47.514 -0.444 1
1 796 . 16 1 1 A 60 60 GLY N N 60 106.980 111.103 -4.123 1
1 797 . 16 1 1 A 61 61 SER H H 61 6.973 7.951 -0.978 1
1 798 . 16 1 1 A 61 61 SER HA H 61 4.141 4.289 -0.148 1
1 801 . 16 1 1 A 61 61 SER C C 61 174.060 176.197 -2.137 1
1 802 . 16 1 1 A 61 61 SER CA C 61 61.870 62.607 -0.737 1
1 803 . 16 1 1 A 61 61 SER CB C 61 63.150 62.914 0.236 1
1 804 . 16 1 1 A 61 61 SER N N 61 116.200 119.552 -3.352 1
1 805 . 16 1 1 A 62 62 ALA H H 62 6.786 8.275 -1.489 1
1 806 . 16 1 1 A 62 62 ALA HA H 62 3.370 2.803 0.567 1
1 810 . 16 1 1 A 62 62 ALA C C 62 178.960 179.226 -0.266 1
1 811 . 16 1 1 A 62 62 ALA CA C 62 55.370 54.778 0.592 1
1 812 . 16 1 1 A 62 62 ALA CB C 62 19.030 18.607 0.423 1
1 813 . 16 1 1 A 62 62 ALA N N 62 123.660 123.686 -0.026 1
1 814 . 16 1 1 A 63 63 SER H H 63 8.379 8.106 0.273 1
1 815 . 16 1 1 A 63 63 SER HA H 63 4.551 4.133 0.418 1
1 818 . 16 1 1 A 63 63 SER C C 63 177.040 176.027 1.013 1
1 819 . 16 1 1 A 63 63 SER CA C 63 61.000 61.643 -0.643 1
1 820 . 16 1 1 A 63 63 SER CB C 63 63.090 62.850 0.240 1
1 821 . 16 1 1 A 63 63 SER N N 63 111.560 112.745 -1.185 1
1 822 . 16 1 1 A 64 64 ASN H H 64 7.737 8.226 -0.489 1
1 823 . 16 1 1 A 64 64 ASN HA H 64 4.434 4.382 0.052 1
1 828 . 16 1 1 A 64 64 ASN C C 64 177.490 177.159 0.331 1
1 829 . 16 1 1 A 64 64 ASN CA C 64 55.410 56.204 -0.794 1
1 830 . 16 1 1 A 64 64 ASN CB C 64 37.930 38.671 -0.741 1
1 831 . 16 1 1 A 64 64 ASN N N 64 120.200 120.184 0.016 1
1 833 . 16 1 1 A 65 65 ALA H H 65 8.085 8.055 0.030 1
1 834 . 16 1 1 A 65 65 ALA HA H 65 4.864 4.035 0.829 1
1 838 . 16 1 1 A 65 65 ALA C C 65 178.180 179.377 -1.197 1
1 839 . 16 1 1 A 65 65 ALA CA C 65 54.700 55.059 -0.359 1
1 840 . 16 1 1 A 65 65 ALA CB C 65 19.950 18.184 1.766 1
1 841 . 16 1 1 A 65 65 ALA N N 65 125.150 121.831 3.319 1
1 842 . 16 1 1 A 66 66 LEU H H 66 8.083 8.112 -0.029 1
1 843 . 16 1 1 A 66 66 LEU HA H 66 3.560 4.087 -0.527 1
1 853 . 16 1 1 A 66 66 LEU C C 66 177.650 178.462 -0.812 1
1 854 . 16 1 1 A 66 66 LEU CA C 66 59.540 58.276 1.264 1
1 855 . 16 1 1 A 66 66 LEU CB C 66 42.020 41.618 0.402 1
1 859 . 16 1 1 A 66 66 LEU N N 66 118.670 119.601 -0.931 1
1 860 . 16 1 1 A 67 67 ARG H H 67 7.620 8.363 -0.743 1
1 861 . 16 1 1 A 67 67 ARG HA H 67 3.939 3.967 -0.028 1
1 868 . 16 1 1 A 67 67 ARG C C 67 178.960 178.762 0.198 1
1 869 . 16 1 1 A 67 67 ARG CA C 67 58.860 59.634 -0.774 1
1 870 . 16 1 1 A 67 67 ARG CB C 67 30.570 29.871 0.699 1
1 873 . 16 1 1 A 67 67 ARG N N 67 114.570 117.771 -3.201 1
1 874 . 16 1 1 A 68 68 THR H H 68 7.850 8.053 -0.203 1
1 875 . 16 1 1 A 68 68 THR HA H 68 4.040 3.693 0.347 1
1 880 . 16 1 1 A 68 68 THR C C 68 175.960 175.109 0.851 1
1 881 . 16 1 1 A 68 68 THR CA C 68 66.160 66.413 -0.253 1
1 882 . 16 1 1 A 68 68 THR CB C 68 69.260 67.838 1.422 1
1 884 . 16 1 1 A 68 68 THR N N 68 112.630 118.321 -5.691 1
1 885 . 16 1 1 A 69 69 MET H H 69 7.934 7.763 0.171 1
1 886 . 16 1 1 A 69 69 MET HA H 69 4.734 4.358 0.376 1
1 894 . 16 1 1 A 69 69 MET C C 69 175.820 175.885 -0.065 1
1 895 . 16 1 1 A 69 69 MET CA C 69 53.560 54.720 -1.160 1
1 896 . 16 1 1 A 69 69 MET CB C 69 29.730 31.396 -1.666 1
1 899 . 16 1 1 A 69 69 MET N N 69 115.080 115.865 -0.785 1
1 900 . 16 1 1 A 70 70 GLN H H 70 7.003 7.514 -0.511 1
1 901 . 16 1 1 A 70 70 GLN HA H 70 4.043 3.935 0.108 1
1 908 . 16 1 1 A 70 70 GLN C C 70 178.020 177.302 0.718 1
1 909 . 16 1 1 A 70 70 GLN CA C 70 57.710 58.098 -0.388 1
1 910 . 16 1 1 A 70 70 GLN CB C 70 30.080 28.256 1.824 1
1 912 . 16 1 1 A 70 70 GLN N N 70 120.730 120.431 0.299 1
1 914 . 16 1 1 A 71 71 GLY H H 71 8.693 8.722 -0.029 1
1 915 . 16 1 1 A 71 71 GLY HA2 H 71 4.230 3.867 0.363 1
1 916 . 16 1 1 A 71 71 GLY HA3 H 71 3.817 3.870 -0.053 1
1 917 . 16 1 1 A 71 71 GLY C C 71 173.290 174.137 -0.847 1
1 918 . 16 1 1 A 71 71 GLY CA C 71 45.960 45.752 0.208 1
1 919 . 16 1 1 A 71 71 GLY N N 71 118.750 114.839 3.911 1
1 920 . 16 1 1 A 72 72 PHE H H 72 8.426 8.233 0.193 1
1 921 . 16 1 1 A 72 72 PHE HA H 72 4.641 4.442 0.199 1
1 926 . 16 1 1 A 72 72 PHE CA C 72 56.830 57.159 -0.329 1
1 927 . 16 1 1 A 72 72 PHE CB C 72 40.650 39.662 0.988 1
1 928 . 16 1 1 A 72 72 PHE N N 72 124.640 122.178 2.462 1
1 929 . 16 1 1 A 73 73 PRO HA H 73 4.052 4.612 -0.560 1
1 934 . 16 1 1 A 73 73 PRO C C 73 174.500 177.138 -2.638 1
1 935 . 16 1 1 A 73 73 PRO CA C 73 62.460 62.254 0.206 1
1 936 . 16 1 1 A 73 73 PRO CB C 73 30.700 30.787 -0.087 1
1 939 . 16 1 1 A 74 74 PHE H H 74 8.382 8.977 -0.595 1
1 940 . 16 1 1 A 74 74 PHE HA H 74 4.235 4.208 0.027 1
1 945 . 16 1 1 A 74 74 PHE C C 74 175.590 175.944 -0.354 1
1 946 . 16 1 1 A 74 74 PHE CA C 74 56.440 61.924 -5.484 1
1 947 . 16 1 1 A 74 74 PHE CB C 74 42.540 39.920 2.620 1
1 950 . 16 1 1 A 74 74 PHE N N 74 128.220 125.107 3.113 1
1 951 . 16 1 1 A 75 75 TYR H H 75 9.185 8.255 0.930 1
1 952 . 16 1 1 A 75 75 TYR HA H 75 3.764 4.663 -0.899 1
1 957 . 16 1 1 A 75 75 TYR C C 75 175.210 175.806 -0.596 1
1 958 . 16 1 1 A 75 75 TYR CA C 75 60.780 59.328 1.452 1
1 959 . 16 1 1 A 75 75 TYR CB C 75 36.110 40.846 -4.736 1
1 962 . 16 1 1 A 75 75 TYR N N 75 128.090 113.940 14.150 1
1 963 . 16 1 1 A 76 76 ASP H H 76 8.306 8.493 -0.187 1
1 964 . 16 1 1 A 76 76 ASP HA H 76 4.075 4.748 -0.673 1
1 967 . 16 1 1 A 76 76 ASP C C 76 175.390 175.310 0.080 1
1 968 . 16 1 1 A 76 76 ASP CA C 76 56.360 55.067 1.293 1
1 969 . 16 1 1 A 76 76 ASP CB C 76 40.510 42.248 -1.738 1
1 970 . 16 1 1 A 76 76 ASP N N 76 107.370 118.767 -11.397 1
1 971 . 16 1 1 A 77 77 LYS H H 77 7.687 7.632 0.055 1
1 972 . 16 1 1 A 77 77 LYS HA H 77 5.020 4.750 0.270 1
1 981 . 16 1 1 A 77 77 LYS CA C 77 53.450 53.041 0.409 1
1 982 . 16 1 1 A 77 77 LYS CB C 77 34.800 34.081 0.719 1
1 986 . 16 1 1 A 77 77 LYS N N 77 118.880 117.220 1.660 1
1 987 . 16 1 1 A 78 78 PRO HA H 78 4.240 4.723 -0.483 1
1 994 . 16 1 1 A 78 78 PRO C C 78 177.470 177.074 0.396 1
1 995 . 16 1 1 A 78 78 PRO CA C 78 62.310 62.755 -0.445 1
1 996 . 16 1 1 A 78 78 PRO CB C 78 31.690 32.303 -0.613 1
1 999 . 16 1 1 A 79 79 MET H H 79 8.696 8.638 0.058 1
1 1000 . 16 1 1 A 79 79 MET HA H 79 4.289 4.462 -0.173 1
1 1008 . 16 1 1 A 79 79 MET C C 79 175.960 176.079 -0.119 1
1 1009 . 16 1 1 A 79 79 MET CA C 79 58.600 56.656 1.944 1
1 1010 . 16 1 1 A 79 79 MET CB C 79 35.200 33.318 1.882 1
1 1013 . 16 1 1 A 79 79 MET N N 79 126.540 122.154 4.386 1
1 1014 . 16 1 1 A 80 80 GLN H H 80 7.779 8.411 -0.632 1
1 1015 . 16 1 1 A 80 80 GLN HA H 80 4.855 5.216 -0.361 1
1 1022 . 16 1 1 A 80 80 GLN C C 80 174.820 174.729 0.091 1
1 1023 . 16 1 1 A 80 80 GLN CA C 80 54.550 54.232 0.318 1
1 1024 . 16 1 1 A 80 80 GLN CB C 80 29.320 31.538 -2.218 1
1 1026 . 16 1 1 A 80 80 GLN N N 80 122.810 120.387 2.423 1
1 1028 . 16 1 1 A 81 81 ILE H H 81 9.682 9.018 0.664 1
1 1029 . 16 1 1 A 81 81 ILE HA H 81 5.010 5.046 -0.036 1
1 1039 . 16 1 1 A 81 81 ILE C C 81 174.710 174.628 0.082 1
1 1040 . 16 1 1 A 81 81 ILE CA C 81 60.900 59.968 0.932 1
1 1041 . 16 1 1 A 81 81 ILE CB C 81 40.120 42.152 -2.032 1
1 1045 . 16 1 1 A 81 81 ILE N N 81 126.070 123.371 2.699 1
1 1046 . 16 1 1 A 82 82 ALA H H 82 9.039 8.267 0.772 1
1 1047 . 16 1 1 A 82 82 ALA HA H 82 4.620 4.811 -0.191 1
1 1051 . 16 1 1 A 82 82 ALA C C 82 176.700 175.703 0.997 1
1 1052 . 16 1 1 A 82 82 ALA CA C 82 50.890 51.169 -0.279 1
1 1053 . 16 1 1 A 82 82 ALA CB C 82 23.420 23.194 0.226 1
1 1054 . 16 1 1 A 82 82 ALA N N 82 130.310 125.255 5.055 1
1 1055 . 16 1 1 A 83 83 TYR H H 83 8.411 8.382 0.029 1
1 1056 . 16 1 1 A 83 83 TYR HA H 83 4.905 4.729 0.176 1
1 1061 . 16 1 1 A 83 83 TYR C C 83 176.900 175.648 1.252 1
1 1062 . 16 1 1 A 83 83 TYR CA C 83 59.280 57.588 1.692 1
1 1063 . 16 1 1 A 83 83 TYR CB C 83 39.350 40.093 -0.743 1
1 1065 . 16 1 1 A 83 83 TYR N N 83 118.580 119.118 -0.538 1
1 1066 . 16 1 1 A 84 84 SER H H 84 8.452 8.421 0.031 1
1 1067 . 16 1 1 A 84 84 SER HA H 84 4.248 4.456 -0.208 1
1 1070 . 16 1 1 A 84 84 SER C C 84 174.220 175.165 -0.945 1
1 1071 . 16 1 1 A 84 84 SER CA C 84 58.560 59.907 -1.347 1
1 1072 . 16 1 1 A 84 84 SER CB C 84 64.100 63.980 0.120 1
1 1073 . 16 1 1 A 84 84 SER N N 84 115.040 117.052 -2.012 1
1 1074 . 16 1 1 A 85 85 LYS H H 85 8.443 8.944 -0.501 1
1 1075 . 16 1 1 A 85 85 LYS HA H 85 4.275 3.793 0.482 1
1 1080 . 16 1 1 A 85 85 LYS C C 85 177.080 175.998 1.082 1
1 1081 . 16 1 1 A 85 85 LYS CA C 85 56.960 57.274 -0.314 1
1 1082 . 16 1 1 A 85 85 LYS CB C 85 33.150 29.388 3.762 1
1 1086 . 16 1 1 A 85 85 LYS N N 85 123.610 119.271 4.339 1
1 1087 . 16 1 1 A 86 86 SER H H 86 8.204 7.924 0.280 1
1 1088 . 16 1 1 A 86 86 SER HA H 86 4.335 4.262 0.073 1
1 1090 . 16 1 1 A 86 86 SER C C 86 174.080 173.939 0.141 1
1 1091 . 16 1 1 A 86 86 SER CA C 86 58.400 61.302 -2.902 1
1 1092 . 16 1 1 A 86 86 SER CB C 86 63.750 63.431 0.319 1
1 1093 . 16 1 1 A 86 86 SER N N 86 115.780 114.066 1.714 1
1 1094 . 16 1 1 A 87 87 ASP H H 87 8.435 7.510 0.925 1
1 1095 . 16 1 1 A 87 87 ASP HA H 87 4.578 4.836 -0.258 1
1 1098 . 16 1 1 A 87 87 ASP C C 87 176.630 174.703 1.927 1
1 1099 . 16 1 1 A 87 87 ASP CA C 87 54.260 53.215 1.045 1
1 1100 . 16 1 1 A 87 87 ASP CB C 87 40.780 43.947 -3.167 1
1 1101 . 16 1 1 A 87 87 ASP N N 87 121.910 116.946 4.964 1
1 1102 . 16 1 1 A 88 88 SER H H 88 8.061 8.822 -0.761 1
1 1103 . 16 1 1 A 88 88 SER HA H 88 4.328 4.124 0.204 1
1 1106 . 16 1 1 A 88 88 SER C C 88 174.840 174.481 0.359 1
1 1107 . 16 1 1 A 88 88 SER CA C 88 58.800 61.151 -2.351 1
1 1108 . 16 1 1 A 88 88 SER CB C 88 63.870 61.836 2.034 1
1 1109 . 16 1 1 A 88 88 SER N N 88 116.440 115.832 0.608 1
1 1110 . 16 1 1 A 89 89 ASP H H 89 8.556 8.612 -0.056 1
1 1111 . 16 1 1 A 89 89 ASP HA H 89 4.460 4.524 -0.064 1
1 1114 . 16 1 1 A 89 89 ASP C C 89 177.450 178.244 -0.794 1
1 1115 . 16 1 1 A 89 89 ASP CA C 89 56.110 57.806 -1.696 1
1 1116 . 16 1 1 A 89 89 ASP CB C 89 40.500 41.360 -0.860 1
1 1117 . 16 1 1 A 89 89 ASP N N 89 123.080 121.100 1.980 1
1 1118 . 16 1 1 A 90 90 ILE H H 90 7.756 7.856 -0.100 1
1 1119 . 16 1 1 A 90 90 ILE HA H 90 3.829 3.714 0.115 1
1 1129 . 16 1 1 A 90 90 ILE C C 90 177.060 178.020 -0.960 1
1 1130 . 16 1 1 A 90 90 ILE CA C 90 63.070 64.318 -1.248 1
1 1131 . 16 1 1 A 90 90 ILE CB C 90 38.290 37.469 0.821 1
1 1135 . 16 1 1 A 90 90 ILE N N 90 119.250 118.255 0.995 1
1 1136 . 16 1 1 A 91 91 VAL H H 91 7.459 8.417 -0.958 1
1 1137 . 16 1 1 A 91 91 VAL HA H 91 3.613 3.515 0.098 1
1 1145 . 16 1 1 A 91 91 VAL C C 91 177.080 177.913 -0.833 1
1 1146 . 16 1 1 A 91 91 VAL CA C 91 65.250 66.639 -1.389 1
1 1147 . 16 1 1 A 91 91 VAL CB C 91 31.970 31.384 0.586 1
1 1150 . 16 1 1 A 91 91 VAL N N 91 121.040 122.314 -1.274 1
1 1151 . 16 1 1 A 92 92 ALA H H 92 8.076 8.430 -0.354 1
1 1152 . 16 1 1 A 92 92 ALA HA H 92 4.098 3.947 0.151 1
1 1156 . 16 1 1 A 92 92 ALA C C 92 179.510 179.176 0.334 1
1 1157 . 16 1 1 A 92 92 ALA CA C 92 54.180 55.543 -1.363 1
1 1158 . 16 1 1 A 92 92 ALA CB C 92 18.660 18.279 0.381 1
1 1159 . 16 1 1 A 92 92 ALA N N 92 122.880 121.945 0.935 1
1 1160 . 16 1 1 A 93 93 LYS H H 93 7.946 7.993 -0.047 1
1 1161 . 16 1 1 A 93 93 LYS HA H 93 4.136 3.989 0.147 1
1 1170 . 16 1 1 A 93 93 LYS C C 93 178.300 179.345 -1.045 1
1 1171 . 16 1 1 A 93 93 LYS CA C 93 58.000 59.879 -1.879 1
1 1172 . 16 1 1 A 93 93 LYS CB C 93 32.550 31.949 0.601 1
1 1176 . 16 1 1 A 93 93 LYS N N 93 118.800 117.826 0.974 1
1 1177 . 16 1 1 A 94 94 ILE H H 94 7.894 7.760 0.134 1
1 1178 . 16 1 1 A 94 94 ILE HA H 94 3.906 3.873 0.033 1
1 1188 . 16 1 1 A 94 94 ILE C C 94 177.720 178.078 -0.358 1
1 1189 . 16 1 1 A 94 94 ILE CA C 94 63.200 63.121 0.079 1
1 1190 . 16 1 1 A 94 94 ILE CB C 94 38.330 37.205 1.125 1
1 1194 . 16 1 1 A 94 94 ILE N N 94 120.760 118.092 2.668 1
1 1195 . 16 1 1 A 95 95 LYS H H 95 8.310 8.051 0.259 1
1 1196 . 16 1 1 A 95 95 LYS HA H 95 4.083 4.175 -0.092 1
1 1205 . 16 1 1 A 95 95 LYS C C 95 177.660 176.653 1.007 1
1 1206 . 16 1 1 A 95 95 LYS CA C 95 57.930 58.444 -0.514 1
1 1207 . 16 1 1 A 95 95 LYS CB C 95 32.860 33.341 -0.481 1
1 1211 . 16 1 1 A 95 95 LYS N N 95 121.330 122.226 -0.896 1
1 1212 . 16 1 1 A 96 96 GLY H H 96 8.122 7.841 0.281 1
1 1213 . 16 1 1 A 96 96 GLY HA2 H 96 3.999 3.981 0.018 1
1 1214 . 16 1 1 A 96 96 GLY HA3 H 96 3.999 4.002 -0.003 1
1 1215 . 16 1 1 A 96 96 GLY C C 96 174.640 176.099 -1.459 1
1 1216 . 16 1 1 A 96 96 GLY CA C 96 45.660 45.476 0.184 1
1 1217 . 16 1 1 A 96 96 GLY N N 96 107.870 108.064 -0.194 1
1 1218 . 16 1 1 A 97 97 THR H H 97 7.968 8.342 -0.374 1
1 1219 . 16 1 1 A 97 97 THR HA H 97 4.294 4.114 0.180 1
1 1224 . 16 1 1 A 97 97 THR C C 97 174.590 176.620 -2.030 1
1 1225 . 16 1 1 A 97 97 THR CA C 97 62.160 65.830 -3.670 1
1 1226 . 16 1 1 A 97 97 THR CB C 97 69.630 68.318 1.312 1
1 1228 . 16 1 1 A 97 97 THR N N 97 112.820 115.776 -2.956 1
1 1229 . 16 1 1 A 98 98 PHE H H 98 7.938 8.077 -0.139 1
1 1230 . 16 1 1 A 98 98 PHE HA H 98 4.552 4.101 0.451 1
1 1235 . 16 1 1 A 98 98 PHE C C 98 175.370 176.528 -1.158 1
1 1236 . 16 1 1 A 98 98 PHE CA C 98 58.150 61.042 -2.892 1
1 1237 . 16 1 1 A 98 98 PHE CB C 98 39.550 39.532 0.018 1
1 1239 . 16 1 1 A 98 98 PHE N N 98 122.400 122.512 -0.112 1
1 1240 . 16 1 1 A 99 99 LYS H H 99 7.986 7.995 -0.009 1
1 1241 . 16 1 1 A 99 99 LYS HA H 99 4.242 4.406 -0.164 1
1 1250 . 16 1 1 A 99 99 LYS C C 99 175.750 175.682 0.068 1
1 1251 . 16 1 1 A 99 99 LYS CA C 99 56.030 55.812 0.218 1
1 1252 . 16 1 1 A 99 99 LYS CB C 99 33.390 33.851 -0.461 1
1 1256 . 16 1 1 A 99 99 LYS N N 99 123.810 113.287 10.523 1
1 1257 . 16 1 1 A 100 100 GLU H H 100 8.247 7.536 0.711 1
1 1258 . 16 1 1 A 100 100 GLU HA H 100 4.202 4.820 -0.618 1
1 1263 . 16 1 1 A 100 100 GLU C C 100 176.210 175.125 1.085 1
1 1264 . 16 1 1 A 100 100 GLU CA C 100 56.270 54.412 1.858 1
1 1265 . 16 1 1 A 100 100 GLU CB C 100 30.550 34.746 -4.196 1
1 1267 . 16 1 1 A 100 100 GLU N N 100 122.270 119.720 2.550 1
1 1268 . 16 1 1 A 101 101 ARG H H 101 8.415 8.532 -0.117 1
1 1269 . 16 1 1 A 101 101 ARG HA H 101 4.590 4.393 0.197 1
1 1276 . 16 1 1 A 101 101 ARG CA C 101 53.980 54.374 -0.394 1
1 1277 . 16 1 1 A 101 101 ARG CB C 101 30.070 31.417 -1.347 1
1 1280 . 16 1 1 A 101 101 ARG N N 101 123.970 123.345 0.625 1
1 1281 . 16 1 1 A 102 102 PRO HA H 102 4.421 4.418 0.003 1
1 1288 . 16 1 1 A 102 102 PRO C C 102 176.700 175.926 0.774 1
1 1289 . 16 1 1 A 102 102 PRO CA C 102 63.090 64.897 -1.807 1
1 1290 . 16 1 1 A 102 102 PRO CB C 102 32.160 31.932 0.228 1
1 1293 . 16 1 1 A 103 103 LYS H H 103 8.445 7.213 1.232 1
1 1294 . 16 1 1 A 103 103 LYS HA H 103 4.294 4.644 -0.350 1
1 1303 . 16 1 1 A 103 103 LYS C C 103 175.690 175.636 0.054 1
1 1304 . 16 1 1 A 103 103 LYS CA C 103 56.380 54.986 1.394 1
1 1305 . 16 1 1 A 103 103 LYS CB C 103 33.150 34.722 -1.572 1
1 1309 . 16 1 1 A 103 103 LYS N N 103 122.480 110.842 11.638 1
1 1 . 17 1 1 A 2 2 GLU HA H 2 4.372 4.848 -0.476 1
1 6 . 17 1 1 A 2 2 GLU C C 2 175.830 177.429 -1.599 1
1 7 . 17 1 1 A 2 2 GLU CA C 2 56.340 56.597 -0.257 1
1 8 . 17 1 1 A 2 2 GLU CB C 2 30.550 31.612 -1.062 1
1 10 . 17 1 1 A 3 3 MET H H 3 8.529 7.997 0.532 1
1 11 . 17 1 1 A 3 3 MET HA H 3 4.534 4.738 -0.204 1
1 19 . 17 1 1 A 3 3 MET C C 3 175.350 175.004 0.346 1
1 20 . 17 1 1 A 3 3 MET CA C 3 54.950 54.825 0.125 1
1 21 . 17 1 1 A 3 3 MET CB C 3 33.150 31.578 1.572 1
1 24 . 17 1 1 A 3 3 MET N N 3 122.340 117.716 4.624 1
1 25 . 17 1 1 A 4 4 LEU H H 4 8.265 7.474 0.791 1
1 26 . 17 1 1 A 4 4 LEU HA H 4 4.579 4.309 0.270 1
1 36 . 17 1 1 A 4 4 LEU CA C 4 52.620 52.532 0.088 1
1 37 . 17 1 1 A 4 4 LEU CB C 4 41.780 41.688 0.092 1
1 41 . 17 1 1 A 4 4 LEU N N 4 125.280 121.523 3.757 1
1 42 . 17 1 1 A 5 5 PRO HA H 5 4.268 4.684 -0.416 1
1 49 . 17 1 1 A 5 5 PRO C C 5 175.390 175.174 0.216 1
1 50 . 17 1 1 A 5 5 PRO CA C 5 62.620 63.267 -0.647 1
1 51 . 17 1 1 A 5 5 PRO CB C 5 32.300 32.114 0.186 1
1 54 . 17 1 1 A 6 6 ASN H H 6 6.913 9.023 -2.110 1
1 55 . 17 1 1 A 6 6 ASN HA H 6 4.460 5.180 -0.720 1
1 60 . 17 1 1 A 6 6 ASN C C 6 172.390 174.855 -2.465 1
1 61 . 17 1 1 A 6 6 ASN CA C 6 52.920 52.487 0.433 1
1 62 . 17 1 1 A 6 6 ASN CB C 6 41.920 41.850 0.070 1
1 63 . 17 1 1 A 6 6 ASN N N 6 117.610 120.661 -3.051 1
1 65 . 17 1 1 A 7 7 GLN H H 7 8.465 8.529 -0.064 1
1 66 . 17 1 1 A 7 7 GLN HA H 7 4.164 4.376 -0.212 1
1 73 . 17 1 1 A 7 7 GLN C C 7 175.020 175.480 -0.460 1
1 74 . 17 1 1 A 7 7 GLN CA C 7 58.100 58.257 -0.157 1
1 75 . 17 1 1 A 7 7 GLN CB C 7 29.270 29.042 0.228 1
1 77 . 17 1 1 A 7 7 GLN N N 7 116.430 121.634 -5.204 1
1 79 . 17 1 1 A 8 8 THR H H 8 8.374 7.932 0.442 1
1 80 . 17 1 1 A 8 8 THR HA H 8 5.399 5.331 0.068 1
1 85 . 17 1 1 A 8 8 THR C C 8 173.700 174.221 -0.521 1
1 86 . 17 1 1 A 8 8 THR CA C 8 62.380 61.406 0.974 1
1 87 . 17 1 1 A 8 8 THR CB C 8 69.100 71.984 -2.884 1
1 89 . 17 1 1 A 8 8 THR N N 8 118.220 113.619 4.601 1
1 90 . 17 1 1 A 9 9 ILE H H 9 8.794 9.310 -0.516 1
1 91 . 17 1 1 A 9 9 ILE HA H 9 5.085 5.454 -0.369 1
1 101 . 17 1 1 A 9 9 ILE C C 9 173.490 173.771 -0.281 1
1 102 . 17 1 1 A 9 9 ILE CA C 9 59.000 59.337 -0.337 1
1 103 . 17 1 1 A 9 9 ILE CB C 9 39.710 42.387 -2.677 1
1 107 . 17 1 1 A 9 9 ILE N N 9 118.250 120.931 -2.681 1
1 108 . 17 1 1 A 10 10 TYR H H 10 9.384 9.246 0.138 1
1 109 . 17 1 1 A 10 10 TYR HA H 10 5.032 5.037 -0.005 1
1 116 . 17 1 1 A 10 10 TYR C C 10 173.920 173.422 0.498 1
1 117 . 17 1 1 A 10 10 TYR CA C 10 55.240 55.849 -0.609 1
1 118 . 17 1 1 A 10 10 TYR CB C 10 40.700 41.762 -1.062 1
1 123 . 17 1 1 A 10 10 TYR N N 10 124.310 124.923 -0.613 1
1 124 . 17 1 1 A 11 11 ILE H H 11 9.000 9.074 -0.074 1
1 125 . 17 1 1 A 11 11 ILE HA H 11 4.629 4.809 -0.180 1
1 135 . 17 1 1 A 11 11 ILE C C 11 180.280 174.426 5.854 1
1 136 . 17 1 1 A 11 11 ILE CA C 11 60.050 59.468 0.582 1
1 137 . 17 1 1 A 11 11 ILE CB C 11 40.350 40.313 0.037 1
1 141 . 17 1 1 A 11 11 ILE N N 11 126.640 127.808 -1.168 1
1 142 . 17 1 1 A 12 12 ASN H H 12 8.844 8.788 0.056 1
1 143 . 17 1 1 A 12 12 ASN HA H 12 5.267 4.957 0.310 1
1 148 . 17 1 1 A 12 12 ASN C C 12 174.640 175.002 -0.362 1
1 149 . 17 1 1 A 12 12 ASN CA C 12 50.860 51.105 -0.245 1
1 150 . 17 1 1 A 12 12 ASN CB C 12 41.400 41.899 -0.499 1
1 151 . 17 1 1 A 12 12 ASN N N 12 123.520 124.079 -0.559 1
1 153 . 17 1 1 A 13 13 ASN H H 13 8.689 8.880 -0.191 1
1 154 . 17 1 1 A 13 13 ASN HA H 13 4.456 4.301 0.155 1
1 159 . 17 1 1 A 13 13 ASN C C 13 176.140 175.228 0.912 1
1 160 . 17 1 1 A 13 13 ASN CA C 13 53.920 54.144 -0.224 1
1 161 . 17 1 1 A 13 13 ASN CB C 13 39.360 37.869 1.491 1
1 162 . 17 1 1 A 13 13 ASN N N 13 115.910 120.070 -4.160 1
1 164 . 17 1 1 A 14 14 LEU H H 14 8.221 8.014 0.207 1
1 165 . 17 1 1 A 14 14 LEU HA H 14 4.350 4.242 0.108 1
1 175 . 17 1 1 A 14 14 LEU C C 14 177.880 175.793 2.087 1
1 176 . 17 1 1 A 14 14 LEU CA C 14 54.000 55.376 -1.376 1
1 177 . 17 1 1 A 14 14 LEU CB C 14 42.830 43.052 -0.222 1
1 181 . 17 1 1 A 14 14 LEU N N 14 116.310 120.098 -3.788 1
1 182 . 17 1 1 A 15 15 ASN H H 15 9.226 8.741 0.485 1
1 183 . 17 1 1 A 15 15 ASN HA H 15 4.225 4.812 -0.587 1
1 188 . 17 1 1 A 15 15 ASN C C 15 176.150 176.872 -0.722 1
1 189 . 17 1 1 A 15 15 ASN CA C 15 54.210 53.200 1.010 1
1 190 . 17 1 1 A 15 15 ASN CB C 15 38.050 39.272 -1.222 1
1 191 . 17 1 1 A 15 15 ASN N N 15 120.300 123.997 -3.697 1
1 193 . 17 1 1 A 16 16 GLU H H 16 9.234 8.744 0.490 1
1 194 . 17 1 1 A 16 16 GLU HA H 16 4.110 4.096 0.014 1
1 199 . 17 1 1 A 16 16 GLU C C 16 176.510 177.602 -1.092 1
1 200 . 17 1 1 A 16 16 GLU CA C 16 57.800 58.456 -0.656 1
1 201 . 17 1 1 A 16 16 GLU CB C 16 29.300 28.866 0.434 1
1 203 . 17 1 1 A 16 16 GLU N N 16 128.160 125.673 2.487 1
1 204 . 17 1 1 A 17 17 LYS H H 17 8.421 8.225 0.196 1
1 205 . 17 1 1 A 17 17 LYS HA H 17 4.170 4.138 0.032 1
1 214 . 17 1 1 A 17 17 LYS C C 17 176.700 176.813 -0.113 1
1 215 . 17 1 1 A 17 17 LYS CA C 17 56.750 58.682 -1.932 1
1 216 . 17 1 1 A 17 17 LYS CB C 17 32.370 31.934 0.436 1
1 220 . 17 1 1 A 17 17 LYS N N 17 118.450 117.570 0.880 1
1 221 . 17 1 1 A 18 18 ILE H H 18 6.751 7.217 -0.466 1
1 222 . 17 1 1 A 18 18 ILE HA H 18 3.830 3.851 -0.021 1
1 232 . 17 1 1 A 18 18 ILE C C 18 176.560 175.699 0.861 1
1 233 . 17 1 1 A 18 18 ILE CA C 18 58.640 61.831 -3.191 1
1 234 . 17 1 1 A 18 18 ILE CB C 18 35.940 37.898 -1.958 1
1 238 . 17 1 1 A 18 18 ILE N N 18 118.790 122.155 -3.365 1
1 239 . 17 1 1 A 19 19 LYS H H 19 8.815 8.906 -0.091 1
1 240 . 17 1 1 A 19 19 LYS HA H 19 4.189 4.342 -0.153 1
1 249 . 17 1 1 A 19 19 LYS C C 19 178.340 178.099 0.241 1
1 250 . 17 1 1 A 19 19 LYS CA C 19 57.250 56.086 1.164 1
1 251 . 17 1 1 A 19 19 LYS CB C 19 32.800 33.377 -0.577 1
1 255 . 17 1 1 A 19 19 LYS N N 19 129.030 126.489 2.541 1
1 256 . 17 1 1 A 20 20 LYS H H 20 9.032 9.009 0.023 1
1 257 . 17 1 1 A 20 20 LYS HA H 20 3.854 3.903 -0.049 1
1 266 . 17 1 1 A 20 20 LYS C C 20 178.390 177.945 0.445 1
1 267 . 17 1 1 A 20 20 LYS CA C 20 59.740 60.264 -0.524 1
1 268 . 17 1 1 A 20 20 LYS CB C 20 31.390 32.012 -0.622 1
1 272 . 17 1 1 A 20 20 LYS N N 20 123.440 124.257 -0.817 1
1 273 . 17 1 1 A 21 21 GLU H H 21 9.341 8.163 1.178 1
1 274 . 17 1 1 A 21 21 GLU HA H 21 4.074 4.003 0.071 1
1 279 . 17 1 1 A 21 21 GLU C C 21 179.120 179.297 -0.177 1
1 280 . 17 1 1 A 21 21 GLU CA C 21 60.270 59.736 0.534 1
1 281 . 17 1 1 A 21 21 GLU CB C 21 28.840 29.198 -0.358 1
1 283 . 17 1 1 A 21 21 GLU N N 21 117.890 118.456 -0.566 1
1 284 . 17 1 1 A 22 22 GLU H H 22 6.994 8.066 -1.072 1
1 285 . 17 1 1 A 22 22 GLU HA H 22 4.166 4.113 0.053 1
1 290 . 17 1 1 A 22 22 GLU C C 22 178.200 179.084 -0.884 1
1 291 . 17 1 1 A 22 22 GLU CA C 22 58.530 59.106 -0.576 1
1 292 . 17 1 1 A 22 22 GLU CB C 22 29.180 29.846 -0.666 1
1 294 . 17 1 1 A 22 22 GLU N N 22 119.810 119.818 -0.008 1
1 295 . 17 1 1 A 23 23 LEU H H 23 8.462 8.470 -0.008 1
1 296 . 17 1 1 A 23 23 LEU HA H 23 3.981 4.250 -0.269 1
1 306 . 17 1 1 A 23 23 LEU C C 23 178.780 178.490 0.290 1
1 307 . 17 1 1 A 23 23 LEU CA C 23 58.840 58.354 0.486 1
1 308 . 17 1 1 A 23 23 LEU CB C 23 42.420 42.001 0.419 1
1 312 . 17 1 1 A 23 23 LEU N N 23 121.220 121.559 -0.339 1
1 313 . 17 1 1 A 24 24 LYS H H 24 8.411 8.486 -0.075 1
1 314 . 17 1 1 A 24 24 LYS HA H 24 3.808 4.046 -0.238 1
1 323 . 17 1 1 A 24 24 LYS C C 24 178.200 178.909 -0.709 1
1 324 . 17 1 1 A 24 24 LYS CA C 24 61.500 59.749 1.751 1
1 325 . 17 1 1 A 24 24 LYS CB C 24 32.500 32.452 0.048 1
1 329 . 17 1 1 A 24 24 LYS N N 24 116.620 119.012 -2.392 1
1 330 . 17 1 1 A 25 25 LYS H H 25 7.592 8.097 -0.505 1
1 331 . 17 1 1 A 25 25 LYS HA H 25 4.181 4.139 0.042 1
1 340 . 17 1 1 A 25 25 LYS C C 25 180.280 179.106 1.174 1
1 341 . 17 1 1 A 25 25 LYS CA C 25 60.140 59.361 0.779 1
1 342 . 17 1 1 A 25 25 LYS CB C 25 32.690 32.205 0.485 1
1 346 . 17 1 1 A 25 25 LYS N N 25 118.830 119.767 -0.937 1
1 347 . 17 1 1 A 26 26 SER H H 26 8.845 8.478 0.367 1
1 348 . 17 1 1 A 26 26 SER HA H 26 4.570 4.163 0.407 1
1 351 . 17 1 1 A 26 26 SER C C 26 176.880 176.390 0.490 1
1 352 . 17 1 1 A 26 26 SER CA C 26 62.210 62.609 -0.399 1
1 353 . 17 1 1 A 26 26 SER CB C 26 63.320 62.929 0.391 1
1 354 . 17 1 1 A 26 26 SER N N 26 117.880 117.395 0.485 1
1 355 . 17 1 1 A 27 27 LEU H H 27 9.040 8.760 0.280 1
1 356 . 17 1 1 A 27 27 LEU HA H 27 4.190 4.223 -0.033 1
1 366 . 17 1 1 A 27 27 LEU C C 27 179.100 179.063 0.037 1
1 367 . 17 1 1 A 27 27 LEU CA C 27 57.960 57.944 0.016 1
1 368 . 17 1 1 A 27 27 LEU CB C 27 43.030 41.789 1.241 1
1 372 . 17 1 1 A 27 27 LEU N N 27 122.840 121.321 1.519 1
1 373 . 17 1 1 A 28 28 TYR H H 28 8.535 8.600 -0.065 1
1 374 . 17 1 1 A 28 28 TYR HA H 28 3.826 4.167 -0.341 1
1 379 . 17 1 1 A 28 28 TYR C C 28 178.360 178.198 0.162 1
1 380 . 17 1 1 A 28 28 TYR CA C 28 63.220 62.154 1.066 1
1 381 . 17 1 1 A 28 28 TYR CB C 28 38.320 38.203 0.117 1
1 384 . 17 1 1 A 28 28 TYR N N 28 121.030 119.025 2.005 1
1 385 . 17 1 1 A 29 29 ALA H H 29 8.009 8.166 -0.157 1
1 386 . 17 1 1 A 29 29 ALA HA H 29 3.364 4.160 -0.796 1
1 390 . 17 1 1 A 29 29 ALA CA C 29 55.420 54.846 0.574 1
1 391 . 17 1 1 A 29 29 ALA CB C 29 18.920 18.863 0.057 1
1 392 . 17 1 1 A 29 29 ALA N N 29 120.570 121.654 -1.084 1
1 393 . 17 1 1 A 30 30 ILE HA H 30 4.048 4.320 -0.272 1
1 403 . 17 1 1 A 30 30 ILE C C 30 177.270 177.589 -0.319 1
1 404 . 17 1 1 A 30 30 ILE CA C 30 63.380 61.841 1.539 1
1 405 . 17 1 1 A 30 30 ILE CB C 30 38.850 39.707 -0.857 1
1 409 . 17 1 1 A 31 31 PHE H H 31 8.446 8.655 -0.209 1
1 410 . 17 1 1 A 31 31 PHE HA H 31 4.900 4.517 0.383 1
1 415 . 17 1 1 A 31 31 PHE C C 31 177.820 178.129 -0.309 1
1 416 . 17 1 1 A 31 31 PHE CA C 31 62.380 60.304 2.076 1
1 417 . 17 1 1 A 31 31 PHE CB C 31 38.900 37.971 0.929 1
1 418 . 17 1 1 A 31 31 PHE N N 31 115.770 121.723 -5.953 1
1 419 . 17 1 1 A 32 32 SER H H 32 8.392 8.083 0.309 1
1 420 . 17 1 1 A 32 32 SER HA H 32 4.365 4.248 0.117 1
1 423 . 17 1 1 A 32 32 SER C C 32 176.140 175.914 0.226 1
1 424 . 17 1 1 A 32 32 SER CA C 32 61.680 61.915 -0.235 1
1 425 . 17 1 1 A 32 32 SER CB C 32 62.460 62.533 -0.073 1
1 426 . 17 1 1 A 32 32 SER N N 32 116.890 115.696 1.194 1
1 427 . 17 1 1 A 33 33 GLN H H 33 7.310 7.613 -0.303 1
1 428 . 17 1 1 A 33 33 GLN HA H 33 4.059 3.964 0.095 1
1 435 . 17 1 1 A 33 33 GLN C C 33 176.330 176.598 -0.268 1
1 436 . 17 1 1 A 33 33 GLN CA C 33 57.220 56.703 0.517 1
1 437 . 17 1 1 A 33 33 GLN CB C 33 28.040 27.831 0.209 1
1 439 . 17 1 1 A 33 33 GLN N N 33 117.530 118.782 -1.252 1
1 441 . 17 1 1 A 34 34 PHE H H 34 7.626 7.744 -0.118 1
1 442 . 17 1 1 A 34 34 PHE HA H 34 4.435 4.638 -0.203 1
1 447 . 17 1 1 A 34 34 PHE C C 34 175.590 175.899 -0.309 1
1 448 . 17 1 1 A 34 34 PHE CA C 34 59.410 58.243 1.167 1
1 449 . 17 1 1 A 34 34 PHE CB C 34 39.380 40.434 -1.054 1
1 452 . 17 1 1 A 34 34 PHE N N 34 116.090 117.070 -0.980 1
1 453 . 17 1 1 A 35 35 GLY H H 35 7.595 7.423 0.172 1
1 454 . 17 1 1 A 35 35 GLY HA2 H 35 3.960 3.960 0.000 1
1 455 . 17 1 1 A 35 35 GLY HA3 H 35 4.612 4.048 0.564 1
1 456 . 17 1 1 A 35 35 GLY C C 35 170.890 174.428 -3.538 1
1 457 . 17 1 1 A 35 35 GLY CA C 35 44.160 45.537 -1.377 1
1 458 . 17 1 1 A 35 35 GLY N N 35 107.470 105.997 1.473 1
1 459 . 17 1 1 A 36 36 GLN H H 36 8.404 8.456 -0.052 1
1 460 . 17 1 1 A 36 36 GLN HA H 36 4.275 4.066 0.209 1
1 467 . 17 1 1 A 36 36 GLN C C 36 176.650 175.173 1.477 1
1 468 . 17 1 1 A 36 36 GLN CA C 36 57.180 56.495 0.685 1
1 469 . 17 1 1 A 36 36 GLN CB C 36 29.360 27.426 1.934 1
1 471 . 17 1 1 A 36 36 GLN N N 36 116.620 118.358 -1.738 1
1 473 . 17 1 1 A 37 37 ILE H H 37 9.009 7.919 1.090 1
1 474 . 17 1 1 A 37 37 ILE HA H 37 4.068 3.716 0.352 1
1 484 . 17 1 1 A 37 37 ILE C C 37 176.530 175.981 0.549 1
1 485 . 17 1 1 A 37 37 ILE CA C 37 61.270 62.071 -0.801 1
1 486 . 17 1 1 A 37 37 ILE CB C 37 40.600 38.006 2.594 1
1 490 . 17 1 1 A 37 37 ILE N N 37 129.370 128.404 0.966 1
1 491 . 17 1 1 A 38 38 LEU H H 38 9.472 9.386 0.086 1
1 492 . 17 1 1 A 38 38 LEU HA H 38 4.291 4.558 -0.267 1
1 502 . 17 1 1 A 38 38 LEU C C 38 176.900 175.410 1.490 1
1 503 . 17 1 1 A 38 38 LEU CA C 38 56.520 55.882 0.638 1
1 504 . 17 1 1 A 38 38 LEU CB C 38 42.030 45.083 -3.053 1
1 508 . 17 1 1 A 38 38 LEU N N 38 128.180 127.565 0.615 1
1 509 . 17 1 1 A 39 39 ASP H H 39 7.493 7.676 -0.183 1
1 510 . 17 1 1 A 39 39 ASP HA H 39 4.715 4.949 -0.234 1
1 513 . 17 1 1 A 39 39 ASP C C 39 173.560 173.696 -0.136 1
1 514 . 17 1 1 A 39 39 ASP CA C 39 53.510 53.466 0.044 1
1 515 . 17 1 1 A 39 39 ASP CB C 39 44.160 43.849 0.311 1
1 516 . 17 1 1 A 39 39 ASP N N 39 114.640 117.279 -2.639 1
1 517 . 17 1 1 A 40 40 ILE H H 40 8.537 8.514 0.023 1
1 518 . 17 1 1 A 40 40 ILE HA H 40 4.722 4.842 -0.120 1
1 528 . 17 1 1 A 40 40 ILE C C 40 174.090 175.006 -0.916 1
1 529 . 17 1 1 A 40 40 ILE CA C 40 61.060 59.850 1.210 1
1 530 . 17 1 1 A 40 40 ILE CB C 40 41.220 42.272 -1.052 1
1 534 . 17 1 1 A 40 40 ILE N N 40 119.670 121.803 -2.133 1
1 535 . 17 1 1 A 41 41 VAL H H 41 8.807 8.898 -0.091 1
1 536 . 17 1 1 A 41 41 VAL HA H 41 4.195 4.688 -0.493 1
1 544 . 17 1 1 A 41 41 VAL C C 41 174.470 174.570 -0.100 1
1 545 . 17 1 1 A 41 41 VAL CA C 41 61.020 61.794 -0.774 1
1 546 . 17 1 1 A 41 41 VAL CB C 41 34.160 33.762 0.398 1
1 549 . 17 1 1 A 41 41 VAL N N 41 127.000 126.251 0.749 1
1 550 . 17 1 1 A 42 42 ALA H H 42 8.708 8.991 -0.283 1
1 551 . 17 1 1 A 42 42 ALA HA H 42 4.796 5.210 -0.414 1
1 555 . 17 1 1 A 42 42 ALA C C 42 175.210 175.425 -0.215 1
1 556 . 17 1 1 A 42 42 ALA CA C 42 51.430 50.797 0.633 1
1 557 . 17 1 1 A 42 42 ALA CB C 42 19.780 24.145 -4.365 1
1 558 . 17 1 1 A 42 42 ALA N N 42 130.100 128.380 1.720 1
1 559 . 17 1 1 A 43 43 LEU H H 43 8.224 8.549 -0.325 1
1 560 . 17 1 1 A 43 43 LEU HA H 43 4.575 4.904 -0.329 1
1 570 . 17 1 1 A 43 43 LEU CA C 43 54.620 53.565 1.055 1
1 571 . 17 1 1 A 43 43 LEU CB C 43 43.640 45.657 -2.017 1
1 575 . 17 1 1 A 43 43 LEU N N 43 122.270 119.280 2.990 1
1 576 . 17 1 1 A 44 44 LYS HA H 44 4.570 4.049 0.521 1
1 585 . 17 1 1 A 44 44 LYS CA C 44 56.000 58.766 -2.766 1
1 586 . 17 1 1 A 44 44 LYS CB C 44 32.940 32.554 0.386 1
1 590 . 17 1 1 A 45 45 THR H H 45 7.706 7.500 0.206 1
1 591 . 17 1 1 A 45 45 THR HA H 45 4.494 4.166 0.328 1
1 596 . 17 1 1 A 45 45 THR CA C 45 60.500 62.198 -1.698 1
1 597 . 17 1 1 A 45 45 THR CB C 45 70.450 69.720 0.730 1
1 599 . 17 1 1 A 45 45 THR N N 45 113.650 110.726 2.924 1
1 600 . 17 1 1 A 46 46 LEU HA H 46 4.142 4.001 0.141 1
1 610 . 17 1 1 A 46 46 LEU C C 46 179.030 177.838 1.192 1
1 611 . 17 1 1 A 46 46 LEU CA C 46 57.630 58.611 -0.981 1
1 612 . 17 1 1 A 46 46 LEU CB C 46 42.020 41.409 0.611 1
1 616 . 17 1 1 A 47 47 LYS H H 47 8.325 8.001 0.324 1
1 617 . 17 1 1 A 47 47 LYS HA H 47 4.139 4.098 0.041 1
1 626 . 17 1 1 A 47 47 LYS C C 47 176.700 177.355 -0.655 1
1 627 . 17 1 1 A 47 47 LYS CA C 47 57.800 58.567 -0.767 1
1 628 . 17 1 1 A 47 47 LYS CB C 47 32.440 32.343 0.097 1
1 632 . 17 1 1 A 47 47 LYS N N 47 116.870 119.679 -2.809 1
1 633 . 17 1 1 A 48 48 MET H H 48 7.649 7.948 -0.299 1
1 634 . 17 1 1 A 48 48 MET HA H 48 4.581 4.843 -0.262 1
1 642 . 17 1 1 A 48 48 MET C C 48 175.550 176.268 -0.718 1
1 643 . 17 1 1 A 48 48 MET CA C 48 54.970 55.015 -0.045 1
1 644 . 17 1 1 A 48 48 MET CB C 48 32.770 33.489 -0.719 1
1 647 . 17 1 1 A 48 48 MET N N 48 116.090 116.122 -0.032 1
1 648 . 17 1 1 A 49 49 ARG H H 49 7.653 8.011 -0.358 1
1 649 . 17 1 1 A 49 49 ARG HA H 49 4.377 4.501 -0.124 1
1 656 . 17 1 1 A 49 49 ARG C C 49 177.450 178.515 -1.065 1
1 657 . 17 1 1 A 49 49 ARG CA C 49 57.250 56.242 1.008 1
1 658 . 17 1 1 A 49 49 ARG CB C 49 30.400 31.809 -1.409 1
1 661 . 17 1 1 A 49 49 ARG N N 49 119.580 119.768 -0.188 1
1 662 . 17 1 1 A 50 50 GLY H H 50 9.177 7.721 1.456 1
1 663 . 17 1 1 A 50 50 GLY HA2 H 50 3.960 3.952 0.008 1
1 664 . 17 1 1 A 50 50 GLY HA3 H 50 4.107 3.955 0.152 1
1 665 . 17 1 1 A 50 50 GLY C C 50 172.960 173.906 -0.946 1
1 666 . 17 1 1 A 50 50 GLY CA C 50 46.140 45.599 0.541 1
1 667 . 17 1 1 A 50 50 GLY N N 50 111.640 107.438 4.202 1
1 668 . 17 1 1 A 51 51 GLN H H 51 7.853 7.760 0.093 1
1 669 . 17 1 1 A 51 51 GLN HA H 51 5.516 4.862 0.654 1
1 675 . 17 1 1 A 51 51 GLN C C 51 174.800 173.834 0.966 1
1 676 . 17 1 1 A 51 51 GLN CA C 51 54.160 54.086 0.074 1
1 677 . 17 1 1 A 51 51 GLN CB C 51 34.330 32.165 2.165 1
1 679 . 17 1 1 A 51 51 GLN N N 51 117.000 116.412 0.588 1
1 681 . 17 1 1 A 52 52 ALA H H 52 8.765 8.320 0.445 1
1 682 . 17 1 1 A 52 52 ALA HA H 52 5.098 4.937 0.161 1
1 686 . 17 1 1 A 52 52 ALA C C 52 174.820 175.043 -0.223 1
1 687 . 17 1 1 A 52 52 ALA CA C 52 51.170 51.343 -0.173 1
1 688 . 17 1 1 A 52 52 ALA CB C 52 23.350 23.636 -0.286 1
1 689 . 17 1 1 A 52 52 ALA N N 52 121.050 120.834 0.216 1
1 690 . 17 1 1 A 53 53 PHE H H 53 8.840 8.875 -0.035 1
1 691 . 17 1 1 A 53 53 PHE HA H 53 5.615 5.464 0.151 1
1 696 . 17 1 1 A 53 53 PHE C C 53 174.870 174.456 0.414 1
1 697 . 17 1 1 A 53 53 PHE CA C 53 55.770 56.260 -0.490 1
1 698 . 17 1 1 A 53 53 PHE CB C 53 41.530 43.770 -2.240 1
1 701 . 17 1 1 A 53 53 PHE N N 53 115.860 115.803 0.057 1
1 702 . 17 1 1 A 54 54 VAL H H 54 8.766 8.637 0.129 1
1 703 . 17 1 1 A 54 54 VAL HA H 54 4.169 4.651 -0.482 1
1 711 . 17 1 1 A 54 54 VAL C C 54 173.330 173.164 0.166 1
1 712 . 17 1 1 A 54 54 VAL CA C 54 61.920 60.116 1.804 1
1 713 . 17 1 1 A 54 54 VAL CB C 54 32.860 35.359 -2.499 1
1 716 . 17 1 1 A 54 54 VAL N N 54 121.920 118.368 3.552 1
1 717 . 17 1 1 A 55 55 ILE H H 55 8.319 9.089 -0.770 1
1 718 . 17 1 1 A 55 55 ILE HA H 55 4.512 5.399 -0.887 1
1 728 . 17 1 1 A 55 55 ILE C C 55 173.920 174.750 -0.830 1
1 729 . 17 1 1 A 55 55 ILE CA C 55 60.880 59.886 0.994 1
1 730 . 17 1 1 A 55 55 ILE CB C 55 39.130 40.404 -1.274 1
1 734 . 17 1 1 A 55 55 ILE N N 55 126.350 126.888 -0.538 1
1 735 . 17 1 1 A 56 56 PHE H H 56 9.009 9.155 -0.146 1
1 736 . 17 1 1 A 56 56 PHE HA H 56 4.889 4.944 -0.055 1
1 741 . 17 1 1 A 56 56 PHE C C 56 175.180 176.123 -0.943 1
1 742 . 17 1 1 A 56 56 PHE CA C 56 59.030 56.493 2.537 1
1 743 . 17 1 1 A 56 56 PHE CB C 56 40.320 43.600 -3.280 1
1 744 . 17 1 1 A 56 56 PHE N N 56 126.440 125.070 1.370 1
1 745 . 17 1 1 A 57 57 LYS H H 57 8.191 8.817 -0.626 1
1 746 . 17 1 1 A 57 57 LYS HA H 57 3.969 4.234 -0.265 1
1 755 . 17 1 1 A 57 57 LYS C C 57 176.140 176.833 -0.693 1
1 756 . 17 1 1 A 57 57 LYS CA C 57 59.290 57.942 1.348 1
1 757 . 17 1 1 A 57 57 LYS CB C 57 33.850 33.021 0.829 1
1 761 . 17 1 1 A 57 57 LYS N N 57 119.130 120.985 -1.855 1
1 762 . 17 1 1 A 58 58 GLU H H 58 8.614 7.953 0.661 1
1 763 . 17 1 1 A 58 58 GLU HA H 58 4.850 4.781 0.069 1
1 768 . 17 1 1 A 58 58 GLU C C 58 177.130 176.642 0.488 1
1 769 . 17 1 1 A 58 58 GLU CA C 58 54.130 54.838 -0.708 1
1 770 . 17 1 1 A 58 58 GLU CB C 58 32.230 33.603 -1.373 1
1 772 . 17 1 1 A 58 58 GLU N N 58 114.350 116.773 -2.423 1
1 773 . 17 1 1 A 59 59 ILE H H 59 8.825 8.645 0.180 1
1 774 . 17 1 1 A 59 59 ILE HA H 59 3.499 3.821 -0.322 1
1 784 . 17 1 1 A 59 59 ILE C C 59 177.650 178.166 -0.516 1
1 785 . 17 1 1 A 59 59 ILE CA C 59 65.660 64.249 1.411 1
1 786 . 17 1 1 A 59 59 ILE CB C 59 38.040 37.741 0.299 1
1 790 . 17 1 1 A 59 59 ILE N N 59 122.940 123.330 -0.390 1
1 791 . 17 1 1 A 60 60 GLY H H 60 8.875 8.426 0.449 1
1 792 . 17 1 1 A 60 60 GLY HA2 H 60 3.780 3.809 -0.029 1
1 793 . 17 1 1 A 60 60 GLY HA3 H 60 3.925 3.818 0.107 1
1 794 . 17 1 1 A 60 60 GLY C C 60 176.700 176.515 0.185 1
1 795 . 17 1 1 A 60 60 GLY CA C 60 47.070 47.527 -0.457 1
1 796 . 17 1 1 A 60 60 GLY N N 60 106.980 110.616 -3.636 1
1 797 . 17 1 1 A 61 61 SER H H 61 6.973 8.024 -1.051 1
1 798 . 17 1 1 A 61 61 SER HA H 61 4.141 4.266 -0.125 1
1 801 . 17 1 1 A 61 61 SER C C 61 174.060 176.185 -2.125 1
1 802 . 17 1 1 A 61 61 SER CA C 61 61.870 62.571 -0.701 1
1 803 . 17 1 1 A 61 61 SER CB C 61 63.150 62.826 0.324 1
1 804 . 17 1 1 A 61 61 SER N N 61 116.200 119.310 -3.110 1
1 805 . 17 1 1 A 62 62 ALA H H 62 6.786 8.354 -1.568 1
1 806 . 17 1 1 A 62 62 ALA HA H 62 3.370 3.146 0.224 1
1 810 . 17 1 1 A 62 62 ALA C C 62 178.960 179.159 -0.199 1
1 811 . 17 1 1 A 62 62 ALA CA C 62 55.370 54.925 0.445 1
1 812 . 17 1 1 A 62 62 ALA CB C 62 19.030 18.271 0.759 1
1 813 . 17 1 1 A 62 62 ALA N N 62 123.660 123.750 -0.090 1
1 814 . 17 1 1 A 63 63 SER H H 63 8.379 8.026 0.353 1
1 815 . 17 1 1 A 63 63 SER HA H 63 4.551 4.129 0.422 1
1 818 . 17 1 1 A 63 63 SER C C 63 177.040 176.046 0.994 1
1 819 . 17 1 1 A 63 63 SER CA C 63 61.000 61.557 -0.557 1
1 820 . 17 1 1 A 63 63 SER CB C 63 63.090 62.877 0.213 1
1 821 . 17 1 1 A 63 63 SER N N 63 111.560 112.667 -1.107 1
1 822 . 17 1 1 A 64 64 ASN H H 64 7.737 8.141 -0.404 1
1 823 . 17 1 1 A 64 64 ASN HA H 64 4.434 4.369 0.065 1
1 828 . 17 1 1 A 64 64 ASN C C 64 177.490 177.148 0.342 1
1 829 . 17 1 1 A 64 64 ASN CA C 64 55.410 56.242 -0.832 1
1 830 . 17 1 1 A 64 64 ASN CB C 64 37.930 38.821 -0.891 1
1 831 . 17 1 1 A 64 64 ASN N N 64 120.200 120.108 0.092 1
1 833 . 17 1 1 A 65 65 ALA H H 65 8.085 7.964 0.121 1
1 834 . 17 1 1 A 65 65 ALA HA H 65 4.864 3.987 0.877 1
1 838 . 17 1 1 A 65 65 ALA C C 65 178.180 179.540 -1.360 1
1 839 . 17 1 1 A 65 65 ALA CA C 65 54.700 54.979 -0.279 1
1 840 . 17 1 1 A 65 65 ALA CB C 65 19.950 17.964 1.986 1
1 841 . 17 1 1 A 65 65 ALA N N 65 125.150 121.804 3.346 1
1 842 . 17 1 1 A 66 66 LEU H H 66 8.083 8.004 0.079 1
1 843 . 17 1 1 A 66 66 LEU HA H 66 3.560 4.103 -0.543 1
1 853 . 17 1 1 A 66 66 LEU C C 66 177.650 178.395 -0.745 1
1 854 . 17 1 1 A 66 66 LEU CA C 66 59.540 58.172 1.368 1
1 855 . 17 1 1 A 66 66 LEU CB C 66 42.020 41.514 0.506 1
1 859 . 17 1 1 A 66 66 LEU N N 66 118.670 119.556 -0.886 1
1 860 . 17 1 1 A 67 67 ARG H H 67 7.620 8.333 -0.713 1
1 861 . 17 1 1 A 67 67 ARG HA H 67 3.939 3.818 0.121 1
1 868 . 17 1 1 A 67 67 ARG C C 67 178.960 178.770 0.190 1
1 869 . 17 1 1 A 67 67 ARG CA C 67 58.860 59.445 -0.585 1
1 870 . 17 1 1 A 67 67 ARG CB C 67 30.570 29.593 0.977 1
1 873 . 17 1 1 A 67 67 ARG N N 67 114.570 119.321 -4.751 1
1 874 . 17 1 1 A 68 68 THR H H 68 7.850 8.400 -0.550 1
1 875 . 17 1 1 A 68 68 THR HA H 68 4.040 3.671 0.369 1
1 880 . 17 1 1 A 68 68 THR C C 68 175.960 175.517 0.443 1
1 881 . 17 1 1 A 68 68 THR CA C 68 66.160 66.233 -0.073 1
1 882 . 17 1 1 A 68 68 THR CB C 68 69.260 67.799 1.461 1
1 884 . 17 1 1 A 68 68 THR N N 68 112.630 115.667 -3.037 1
1 885 . 17 1 1 A 69 69 MET H H 69 7.934 7.711 0.223 1
1 886 . 17 1 1 A 69 69 MET HA H 69 4.734 4.281 0.453 1
1 894 . 17 1 1 A 69 69 MET C C 69 175.820 175.878 -0.058 1
1 895 . 17 1 1 A 69 69 MET CA C 69 53.560 54.738 -1.178 1
1 896 . 17 1 1 A 69 69 MET CB C 69 29.730 31.329 -1.599 1
1 899 . 17 1 1 A 69 69 MET N N 69 115.080 116.088 -1.008 1
1 900 . 17 1 1 A 70 70 GLN H H 70 7.003 7.479 -0.476 1
1 901 . 17 1 1 A 70 70 GLN HA H 70 4.043 3.939 0.104 1
1 908 . 17 1 1 A 70 70 GLN C C 70 178.020 177.327 0.693 1
1 909 . 17 1 1 A 70 70 GLN CA C 70 57.710 58.102 -0.392 1
1 910 . 17 1 1 A 70 70 GLN CB C 70 30.080 28.233 1.847 1
1 912 . 17 1 1 A 70 70 GLN N N 70 120.730 120.396 0.334 1
1 914 . 17 1 1 A 71 71 GLY H H 71 8.693 8.655 0.038 1
1 915 . 17 1 1 A 71 71 GLY HA2 H 71 4.230 3.904 0.326 1
1 916 . 17 1 1 A 71 71 GLY HA3 H 71 3.817 3.909 -0.092 1
1 917 . 17 1 1 A 71 71 GLY C C 71 173.290 174.098 -0.808 1
1 918 . 17 1 1 A 71 71 GLY CA C 71 45.960 45.871 0.089 1
1 919 . 17 1 1 A 71 71 GLY N N 71 118.750 114.788 3.962 1
1 920 . 17 1 1 A 72 72 PHE H H 72 8.426 8.168 0.258 1
1 921 . 17 1 1 A 72 72 PHE HA H 72 4.641 4.530 0.111 1
1 926 . 17 1 1 A 72 72 PHE CA C 72 56.830 57.057 -0.227 1
1 927 . 17 1 1 A 72 72 PHE CB C 72 40.650 39.980 0.670 1
1 928 . 17 1 1 A 72 72 PHE N N 72 124.640 122.021 2.619 1
1 929 . 17 1 1 A 73 73 PRO HA H 73 4.052 4.730 -0.678 1
1 934 . 17 1 1 A 73 73 PRO C C 73 174.500 176.445 -1.945 1
1 935 . 17 1 1 A 73 73 PRO CA C 73 62.460 62.125 0.335 1
1 936 . 17 1 1 A 73 73 PRO CB C 73 30.700 28.919 1.781 1
1 939 . 17 1 1 A 74 74 PHE H H 74 8.382 8.645 -0.263 1
1 940 . 17 1 1 A 74 74 PHE HA H 74 4.235 4.406 -0.171 1
1 945 . 17 1 1 A 74 74 PHE C C 74 175.590 174.686 0.904 1
1 946 . 17 1 1 A 74 74 PHE CA C 74 56.440 61.768 -5.328 1
1 947 . 17 1 1 A 74 74 PHE CB C 74 42.540 39.944 2.596 1
1 950 . 17 1 1 A 74 74 PHE N N 74 128.220 123.573 4.647 1
1 951 . 17 1 1 A 75 75 TYR H H 75 9.185 7.952 1.233 1
1 952 . 17 1 1 A 75 75 TYR HA H 75 3.764 4.945 -1.181 1
1 957 . 17 1 1 A 75 75 TYR C C 75 175.210 175.352 -0.142 1
1 958 . 17 1 1 A 75 75 TYR CA C 75 60.780 57.073 3.707 1
1 959 . 17 1 1 A 75 75 TYR CB C 75 36.110 42.294 -6.184 1
1 962 . 17 1 1 A 75 75 TYR N N 75 128.090 115.411 12.679 1
1 963 . 17 1 1 A 76 76 ASP H H 76 8.306 9.049 -0.743 1
1 964 . 17 1 1 A 76 76 ASP HA H 76 4.075 4.712 -0.637 1
1 967 . 17 1 1 A 76 76 ASP C C 76 175.390 175.557 -0.167 1
1 968 . 17 1 1 A 76 76 ASP CA C 76 56.360 54.841 1.519 1
1 969 . 17 1 1 A 76 76 ASP CB C 76 40.510 40.732 -0.222 1
1 970 . 17 1 1 A 76 76 ASP N N 76 107.370 122.008 -14.638 1
1 971 . 17 1 1 A 77 77 LYS H H 77 7.687 7.725 -0.038 1
1 972 . 17 1 1 A 77 77 LYS HA H 77 5.020 4.782 0.238 1
1 981 . 17 1 1 A 77 77 LYS CA C 77 53.450 52.801 0.649 1
1 982 . 17 1 1 A 77 77 LYS CB C 77 34.800 34.229 0.571 1
1 986 . 17 1 1 A 77 77 LYS N N 77 118.880 119.199 -0.319 1
1 987 . 17 1 1 A 78 78 PRO HA H 78 4.240 4.507 -0.267 1
1 994 . 17 1 1 A 78 78 PRO C C 78 177.470 177.087 0.383 1
1 995 . 17 1 1 A 78 78 PRO CA C 78 62.310 62.838 -0.528 1
1 996 . 17 1 1 A 78 78 PRO CB C 78 31.690 32.360 -0.670 1
1 999 . 17 1 1 A 79 79 MET H H 79 8.696 8.546 0.150 1
1 1000 . 17 1 1 A 79 79 MET HA H 79 4.289 4.589 -0.300 1
1 1008 . 17 1 1 A 79 79 MET C C 79 175.960 176.098 -0.138 1
1 1009 . 17 1 1 A 79 79 MET CA C 79 58.600 56.568 2.032 1
1 1010 . 17 1 1 A 79 79 MET CB C 79 35.200 33.544 1.656 1
1 1013 . 17 1 1 A 79 79 MET N N 79 126.540 121.956 4.584 1
1 1014 . 17 1 1 A 80 80 GLN H H 80 7.779 8.490 -0.711 1
1 1015 . 17 1 1 A 80 80 GLN HA H 80 4.855 5.263 -0.408 1
1 1022 . 17 1 1 A 80 80 GLN C C 80 174.820 174.569 0.251 1
1 1023 . 17 1 1 A 80 80 GLN CA C 80 54.550 54.231 0.319 1
1 1024 . 17 1 1 A 80 80 GLN CB C 80 29.320 31.703 -2.383 1
1 1026 . 17 1 1 A 80 80 GLN N N 80 122.810 119.341 3.469 1
1 1028 . 17 1 1 A 81 81 ILE H H 81 9.682 9.095 0.587 1
1 1029 . 17 1 1 A 81 81 ILE HA H 81 5.010 5.044 -0.034 1
1 1039 . 17 1 1 A 81 81 ILE C C 81 174.710 174.208 0.502 1
1 1040 . 17 1 1 A 81 81 ILE CA C 81 60.900 59.954 0.946 1
1 1041 . 17 1 1 A 81 81 ILE CB C 81 40.120 42.141 -2.021 1
1 1045 . 17 1 1 A 81 81 ILE N N 81 126.070 123.645 2.425 1
1 1046 . 17 1 1 A 82 82 ALA H H 82 9.039 8.470 0.569 1
1 1047 . 17 1 1 A 82 82 ALA HA H 82 4.620 5.198 -0.578 1
1 1051 . 17 1 1 A 82 82 ALA C C 82 176.700 176.100 0.600 1
1 1052 . 17 1 1 A 82 82 ALA CA C 82 50.890 50.726 0.164 1
1 1053 . 17 1 1 A 82 82 ALA CB C 82 23.420 23.562 -0.142 1
1 1054 . 17 1 1 A 82 82 ALA N N 82 130.310 125.615 4.695 1
1 1055 . 17 1 1 A 83 83 TYR H H 83 8.411 8.895 -0.484 1
1 1056 . 17 1 1 A 83 83 TYR HA H 83 4.905 4.785 0.120 1
1 1061 . 17 1 1 A 83 83 TYR C C 83 176.900 175.342 1.558 1
1 1062 . 17 1 1 A 83 83 TYR CA C 83 59.280 57.435 1.845 1
1 1063 . 17 1 1 A 83 83 TYR CB C 83 39.350 39.865 -0.515 1
1 1065 . 17 1 1 A 83 83 TYR N N 83 118.580 119.545 -0.965 1
1 1066 . 17 1 1 A 84 84 SER H H 84 8.452 8.770 -0.318 1
1 1067 . 17 1 1 A 84 84 SER HA H 84 4.248 5.194 -0.946 1
1 1070 . 17 1 1 A 84 84 SER C C 84 174.220 173.469 0.751 1
1 1071 . 17 1 1 A 84 84 SER CA C 84 58.560 57.258 1.302 1
1 1072 . 17 1 1 A 84 84 SER CB C 84 64.100 66.541 -2.441 1
1 1073 . 17 1 1 A 84 84 SER N N 84 115.040 116.186 -1.146 1
1 1074 . 17 1 1 A 85 85 LYS H H 85 8.443 9.016 -0.573 1
1 1075 . 17 1 1 A 85 85 LYS HA H 85 4.275 4.725 -0.450 1
1 1080 . 17 1 1 A 85 85 LYS C C 85 177.080 176.604 0.476 1
1 1081 . 17 1 1 A 85 85 LYS CA C 85 56.960 55.364 1.596 1
1 1082 . 17 1 1 A 85 85 LYS CB C 85 33.150 33.309 -0.159 1
1 1086 . 17 1 1 A 85 85 LYS N N 85 123.610 122.214 1.396 1
1 1087 . 17 1 1 A 86 86 SER H H 86 8.204 7.859 0.345 1
1 1088 . 17 1 1 A 86 86 SER HA H 86 4.335 4.869 -0.534 1
1 1090 . 17 1 1 A 86 86 SER C C 86 174.080 174.657 -0.577 1
1 1091 . 17 1 1 A 86 86 SER CA C 86 58.400 57.412 0.988 1
1 1092 . 17 1 1 A 86 86 SER CB C 86 63.750 64.285 -0.535 1
1 1093 . 17 1 1 A 86 86 SER N N 86 115.780 115.591 0.189 1
1 1094 . 17 1 1 A 87 87 ASP H H 87 8.435 7.902 0.533 1
1 1095 . 17 1 1 A 87 87 ASP HA H 87 4.578 4.006 0.572 1
1 1098 . 17 1 1 A 87 87 ASP C C 87 176.630 178.194 -1.564 1
1 1099 . 17 1 1 A 87 87 ASP CA C 87 54.260 57.760 -3.500 1
1 1100 . 17 1 1 A 87 87 ASP CB C 87 40.780 41.839 -1.059 1
1 1101 . 17 1 1 A 87 87 ASP N N 87 121.910 123.711 -1.801 1
1 1102 . 17 1 1 A 88 88 SER H H 88 8.061 8.006 0.055 1
1 1103 . 17 1 1 A 88 88 SER HA H 88 4.328 3.897 0.431 1
1 1106 . 17 1 1 A 88 88 SER C C 88 174.840 175.641 -0.801 1
1 1107 . 17 1 1 A 88 88 SER CA C 88 58.800 61.240 -2.440 1
1 1108 . 17 1 1 A 88 88 SER CB C 88 63.870 62.828 1.042 1
1 1109 . 17 1 1 A 88 88 SER N N 88 116.440 115.826 0.614 1
1 1110 . 17 1 1 A 89 89 ASP H H 89 8.556 7.722 0.834 1
1 1111 . 17 1 1 A 89 89 ASP HA H 89 4.460 4.352 0.108 1
1 1114 . 17 1 1 A 89 89 ASP C C 89 177.450 178.132 -0.682 1
1 1115 . 17 1 1 A 89 89 ASP CA C 89 56.110 57.069 -0.959 1
1 1116 . 17 1 1 A 89 89 ASP CB C 89 40.500 41.011 -0.511 1
1 1117 . 17 1 1 A 89 89 ASP N N 89 123.080 120.777 2.303 1
1 1118 . 17 1 1 A 90 90 ILE H H 90 7.756 7.729 0.027 1
1 1119 . 17 1 1 A 90 90 ILE HA H 90 3.829 3.617 0.212 1
1 1129 . 17 1 1 A 90 90 ILE C C 90 177.060 177.791 -0.731 1
1 1130 . 17 1 1 A 90 90 ILE CA C 90 63.070 64.299 -1.229 1
1 1131 . 17 1 1 A 90 90 ILE CB C 90 38.290 37.074 1.216 1
1 1135 . 17 1 1 A 90 90 ILE N N 90 119.250 118.096 1.154 1
1 1136 . 17 1 1 A 91 91 VAL H H 91 7.459 8.301 -0.842 1
1 1137 . 17 1 1 A 91 91 VAL HA H 91 3.613 3.439 0.174 1
1 1145 . 17 1 1 A 91 91 VAL C C 91 177.080 177.834 -0.754 1
1 1146 . 17 1 1 A 91 91 VAL CA C 91 65.250 66.402 -1.152 1
1 1147 . 17 1 1 A 91 91 VAL CB C 91 31.970 31.372 0.598 1
1 1150 . 17 1 1 A 91 91 VAL N N 91 121.040 121.934 -0.894 1
1 1151 . 17 1 1 A 92 92 ALA H H 92 8.076 8.024 0.052 1
1 1152 . 17 1 1 A 92 92 ALA HA H 92 4.098 3.779 0.319 1
1 1156 . 17 1 1 A 92 92 ALA C C 92 179.510 179.843 -0.333 1
1 1157 . 17 1 1 A 92 92 ALA CA C 92 54.180 55.359 -1.179 1
1 1158 . 17 1 1 A 92 92 ALA CB C 92 18.660 17.924 0.736 1
1 1159 . 17 1 1 A 92 92 ALA N N 92 122.880 121.756 1.124 1
1 1160 . 17 1 1 A 93 93 LYS H H 93 7.946 7.977 -0.031 1
1 1161 . 17 1 1 A 93 93 LYS HA H 93 4.136 4.055 0.081 1
1 1170 . 17 1 1 A 93 93 LYS C C 93 178.300 179.607 -1.307 1
1 1171 . 17 1 1 A 93 93 LYS CA C 93 58.000 59.223 -1.223 1
1 1172 . 17 1 1 A 93 93 LYS CB C 93 32.550 32.336 0.214 1
1 1176 . 17 1 1 A 93 93 LYS N N 93 118.800 117.399 1.401 1
1 1177 . 17 1 1 A 94 94 ILE H H 94 7.894 7.812 0.082 1
1 1178 . 17 1 1 A 94 94 ILE HA H 94 3.906 3.859 0.047 1
1 1188 . 17 1 1 A 94 94 ILE C C 94 177.720 176.838 0.882 1
1 1189 . 17 1 1 A 94 94 ILE CA C 94 63.200 64.260 -1.060 1
1 1190 . 17 1 1 A 94 94 ILE CB C 94 38.330 37.333 0.997 1
1 1194 . 17 1 1 A 94 94 ILE N N 94 120.760 116.667 4.093 1
1 1195 . 17 1 1 A 95 95 LYS H H 95 8.310 7.935 0.375 1
1 1196 . 17 1 1 A 95 95 LYS HA H 95 4.083 4.530 -0.447 1
1 1205 . 17 1 1 A 95 95 LYS C C 95 177.660 176.273 1.387 1
1 1206 . 17 1 1 A 95 95 LYS CA C 95 57.930 54.920 3.010 1
1 1207 . 17 1 1 A 95 95 LYS CB C 95 32.860 33.587 -0.727 1
1 1211 . 17 1 1 A 95 95 LYS N N 95 121.330 121.784 -0.454 1
1 1212 . 17 1 1 A 96 96 GLY H H 96 8.122 8.217 -0.095 1
1 1213 . 17 1 1 A 96 96 GLY HA2 H 96 3.999 4.103 -0.104 1
1 1214 . 17 1 1 A 96 96 GLY HA3 H 96 3.999 4.105 -0.106 1
1 1215 . 17 1 1 A 96 96 GLY C C 96 174.640 175.573 -0.933 1
1 1216 . 17 1 1 A 96 96 GLY CA C 96 45.660 45.824 -0.164 1
1 1217 . 17 1 1 A 96 96 GLY N N 96 107.870 110.931 -3.061 1
1 1218 . 17 1 1 A 97 97 THR H H 97 7.968 8.549 -0.581 1
1 1219 . 17 1 1 A 97 97 THR HA H 97 4.294 4.138 0.156 1
1 1224 . 17 1 1 A 97 97 THR C C 97 174.590 174.768 -0.178 1
1 1225 . 17 1 1 A 97 97 THR CA C 97 62.160 65.216 -3.056 1
1 1226 . 17 1 1 A 97 97 THR CB C 97 69.630 69.074 0.556 1
1 1228 . 17 1 1 A 97 97 THR N N 97 112.820 115.622 -2.802 1
1 1229 . 17 1 1 A 98 98 PHE H H 98 7.938 7.521 0.417 1
1 1230 . 17 1 1 A 98 98 PHE HA H 98 4.552 4.607 -0.055 1
1 1235 . 17 1 1 A 98 98 PHE C C 98 175.370 175.827 -0.457 1
1 1236 . 17 1 1 A 98 98 PHE CA C 98 58.150 58.632 -0.482 1
1 1237 . 17 1 1 A 98 98 PHE CB C 98 39.550 41.516 -1.966 1
1 1239 . 17 1 1 A 98 98 PHE N N 98 122.400 119.928 2.472 1
1 1240 . 17 1 1 A 99 99 LYS H H 99 7.986 7.778 0.208 1
1 1241 . 17 1 1 A 99 99 LYS HA H 99 4.242 4.339 -0.097 1
1 1250 . 17 1 1 A 99 99 LYS C C 99 175.750 175.521 0.229 1
1 1251 . 17 1 1 A 99 99 LYS CA C 99 56.030 56.252 -0.222 1
1 1252 . 17 1 1 A 99 99 LYS CB C 99 33.390 34.624 -1.234 1
1 1256 . 17 1 1 A 99 99 LYS N N 99 123.810 113.704 10.106 1
1 1257 . 17 1 1 A 100 100 GLU H H 100 8.247 7.711 0.536 1
1 1258 . 17 1 1 A 100 100 GLU HA H 100 4.202 4.916 -0.714 1
1 1263 . 17 1 1 A 100 100 GLU C C 100 176.210 174.121 2.089 1
1 1264 . 17 1 1 A 100 100 GLU CA C 100 56.270 54.506 1.764 1
1 1265 . 17 1 1 A 100 100 GLU CB C 100 30.550 33.816 -3.266 1
1 1267 . 17 1 1 A 100 100 GLU N N 100 122.270 118.974 3.296 1
1 1268 . 17 1 1 A 101 101 ARG H H 101 8.415 8.682 -0.267 1
1 1269 . 17 1 1 A 101 101 ARG HA H 101 4.590 4.871 -0.281 1
1 1276 . 17 1 1 A 101 101 ARG CA C 101 53.980 53.170 0.810 1
1 1277 . 17 1 1 A 101 101 ARG CB C 101 30.070 34.037 -3.967 1
1 1280 . 17 1 1 A 101 101 ARG N N 101 123.970 121.357 2.613 1
1 1281 . 17 1 1 A 102 102 PRO HA H 102 4.421 4.590 -0.169 1
1 1288 . 17 1 1 A 102 102 PRO C C 102 176.700 176.901 -0.201 1
1 1289 . 17 1 1 A 102 102 PRO CA C 102 63.090 62.925 0.165 1
1 1290 . 17 1 1 A 102 102 PRO CB C 102 32.160 31.523 0.637 1
1 1293 . 17 1 1 A 103 103 LYS H H 103 8.445 8.170 0.275 1
1 1294 . 17 1 1 A 103 103 LYS HA H 103 4.294 4.196 0.098 1
1 1303 . 17 1 1 A 103 103 LYS C C 103 175.690 176.145 -0.455 1
1 1304 . 17 1 1 A 103 103 LYS CA C 103 56.380 56.549 -0.169 1
1 1305 . 17 1 1 A 103 103 LYS CB C 103 33.150 32.172 0.978 1
1 1309 . 17 1 1 A 103 103 LYS N N 103 122.480 123.003 -0.523 1
1 1 . 18 1 1 A 2 2 GLU HA H 2 4.372 4.875 -0.503 1
1 6 . 18 1 1 A 2 2 GLU C C 2 175.830 175.882 -0.052 1
1 7 . 18 1 1 A 2 2 GLU CA C 2 56.340 54.409 1.931 1
1 8 . 18 1 1 A 2 2 GLU CB C 2 30.550 33.867 -3.317 1
1 10 . 18 1 1 A 3 3 MET H H 3 8.529 8.697 -0.168 1
1 11 . 18 1 1 A 3 3 MET HA H 3 4.534 4.636 -0.102 1
1 19 . 18 1 1 A 3 3 MET C C 3 175.350 176.244 -0.894 1
1 20 . 18 1 1 A 3 3 MET CA C 3 54.950 55.179 -0.229 1
1 21 . 18 1 1 A 3 3 MET CB C 3 33.150 33.166 -0.016 1
1 24 . 18 1 1 A 3 3 MET N N 3 122.340 120.604 1.736 1
1 25 . 18 1 1 A 4 4 LEU H H 4 8.265 8.327 -0.062 1
1 26 . 18 1 1 A 4 4 LEU HA H 4 4.579 4.847 -0.268 1
1 36 . 18 1 1 A 4 4 LEU CA C 4 52.620 51.408 1.212 1
1 37 . 18 1 1 A 4 4 LEU CB C 4 41.780 43.529 -1.749 1
1 41 . 18 1 1 A 4 4 LEU N N 4 125.280 123.412 1.868 1
1 42 . 18 1 1 A 5 5 PRO HA H 5 4.268 4.538 -0.270 1
1 49 . 18 1 1 A 5 5 PRO C C 5 175.390 176.663 -1.273 1
1 50 . 18 1 1 A 5 5 PRO CA C 5 62.620 63.433 -0.813 1
1 51 . 18 1 1 A 5 5 PRO CB C 5 32.300 31.808 0.492 1
1 54 . 18 1 1 A 6 6 ASN H H 6 6.913 9.089 -2.176 1
1 55 . 18 1 1 A 6 6 ASN HA H 6 4.460 4.928 -0.468 1
1 60 . 18 1 1 A 6 6 ASN C C 6 172.390 175.716 -3.326 1
1 61 . 18 1 1 A 6 6 ASN CA C 6 52.920 52.354 0.566 1
1 62 . 18 1 1 A 6 6 ASN CB C 6 41.920 39.972 1.948 1
1 63 . 18 1 1 A 6 6 ASN N N 6 117.610 116.782 0.828 1
1 65 . 18 1 1 A 7 7 GLN H H 7 8.465 8.255 0.210 1
1 66 . 18 1 1 A 7 7 GLN HA H 7 4.164 4.235 -0.071 1
1 73 . 18 1 1 A 7 7 GLN C C 7 175.020 174.477 0.543 1
1 74 . 18 1 1 A 7 7 GLN CA C 7 58.100 57.499 0.601 1
1 75 . 18 1 1 A 7 7 GLN CB C 7 29.270 28.427 0.843 1
1 77 . 18 1 1 A 7 7 GLN N N 7 116.430 118.425 -1.995 1
1 79 . 18 1 1 A 8 8 THR H H 8 8.374 7.885 0.489 1
1 80 . 18 1 1 A 8 8 THR HA H 8 5.399 5.506 -0.107 1
1 85 . 18 1 1 A 8 8 THR C C 8 173.700 174.162 -0.462 1
1 86 . 18 1 1 A 8 8 THR CA C 8 62.380 61.213 1.167 1
1 87 . 18 1 1 A 8 8 THR CB C 8 69.100 72.888 -3.788 1
1 89 . 18 1 1 A 8 8 THR N N 8 118.220 115.000 3.220 1
1 90 . 18 1 1 A 9 9 ILE H H 9 8.794 9.183 -0.389 1
1 91 . 18 1 1 A 9 9 ILE HA H 9 5.085 5.434 -0.349 1
1 101 . 18 1 1 A 9 9 ILE C C 9 173.490 173.668 -0.178 1
1 102 . 18 1 1 A 9 9 ILE CA C 9 59.000 59.288 -0.288 1
1 103 . 18 1 1 A 9 9 ILE CB C 9 39.710 42.313 -2.603 1
1 107 . 18 1 1 A 9 9 ILE N N 9 118.250 119.305 -1.055 1
1 108 . 18 1 1 A 10 10 TYR H H 10 9.384 9.263 0.121 1
1 109 . 18 1 1 A 10 10 TYR HA H 10 5.032 5.358 -0.326 1
1 116 . 18 1 1 A 10 10 TYR C C 10 173.920 173.632 0.288 1
1 117 . 18 1 1 A 10 10 TYR CA C 10 55.240 55.962 -0.722 1
1 118 . 18 1 1 A 10 10 TYR CB C 10 40.700 41.855 -1.155 1
1 123 . 18 1 1 A 10 10 TYR N N 10 124.310 124.929 -0.619 1
1 124 . 18 1 1 A 11 11 ILE H H 11 9.000 8.900 0.100 1
1 125 . 18 1 1 A 11 11 ILE HA H 11 4.629 4.905 -0.276 1
1 135 . 18 1 1 A 11 11 ILE C C 11 180.280 173.852 6.428 1
1 136 . 18 1 1 A 11 11 ILE CA C 11 60.050 59.127 0.923 1
1 137 . 18 1 1 A 11 11 ILE CB C 11 40.350 40.351 -0.001 1
1 141 . 18 1 1 A 11 11 ILE N N 11 126.640 126.706 -0.066 1
1 142 . 18 1 1 A 12 12 ASN H H 12 8.844 8.589 0.255 1
1 143 . 18 1 1 A 12 12 ASN HA H 12 5.267 4.991 0.276 1
1 148 . 18 1 1 A 12 12 ASN C C 12 174.640 174.381 0.259 1
1 149 . 18 1 1 A 12 12 ASN CA C 12 50.860 51.352 -0.492 1
1 150 . 18 1 1 A 12 12 ASN CB C 12 41.400 41.891 -0.491 1
1 151 . 18 1 1 A 12 12 ASN N N 12 123.520 123.525 -0.005 1
1 153 . 18 1 1 A 13 13 ASN H H 13 8.689 8.937 -0.248 1
1 154 . 18 1 1 A 13 13 ASN HA H 13 4.456 4.290 0.166 1
1 159 . 18 1 1 A 13 13 ASN C C 13 176.140 175.202 0.938 1
1 160 . 18 1 1 A 13 13 ASN CA C 13 53.920 54.223 -0.303 1
1 161 . 18 1 1 A 13 13 ASN CB C 13 39.360 38.119 1.241 1
1 162 . 18 1 1 A 13 13 ASN N N 13 115.910 117.556 -1.646 1
1 164 . 18 1 1 A 14 14 LEU H H 14 8.221 8.181 0.040 1
1 165 . 18 1 1 A 14 14 LEU HA H 14 4.350 4.249 0.101 1
1 175 . 18 1 1 A 14 14 LEU C C 14 177.880 175.828 2.052 1
1 176 . 18 1 1 A 14 14 LEU CA C 14 54.000 55.312 -1.312 1
1 177 . 18 1 1 A 14 14 LEU CB C 14 42.830 43.001 -0.171 1
1 181 . 18 1 1 A 14 14 LEU N N 14 116.310 119.866 -3.556 1
1 182 . 18 1 1 A 15 15 ASN H H 15 9.226 8.695 0.531 1
1 183 . 18 1 1 A 15 15 ASN HA H 15 4.225 4.814 -0.589 1
1 188 . 18 1 1 A 15 15 ASN C C 15 176.150 176.715 -0.565 1
1 189 . 18 1 1 A 15 15 ASN CA C 15 54.210 53.219 0.991 1
1 190 . 18 1 1 A 15 15 ASN CB C 15 38.050 39.390 -1.340 1
1 191 . 18 1 1 A 15 15 ASN N N 15 120.300 123.935 -3.635 1
1 193 . 18 1 1 A 16 16 GLU H H 16 9.234 8.749 0.485 1
1 194 . 18 1 1 A 16 16 GLU HA H 16 4.110 4.044 0.066 1
1 199 . 18 1 1 A 16 16 GLU C C 16 176.510 177.829 -1.319 1
1 200 . 18 1 1 A 16 16 GLU CA C 16 57.800 58.493 -0.693 1
1 201 . 18 1 1 A 16 16 GLU CB C 16 29.300 29.039 0.261 1
1 203 . 18 1 1 A 16 16 GLU N N 16 128.160 125.998 2.162 1
1 204 . 18 1 1 A 17 17 LYS H H 17 8.421 8.240 0.181 1
1 205 . 18 1 1 A 17 17 LYS HA H 17 4.170 4.119 0.051 1
1 214 . 18 1 1 A 17 17 LYS C C 17 176.700 176.673 0.027 1
1 215 . 18 1 1 A 17 17 LYS CA C 17 56.750 58.628 -1.878 1
1 216 . 18 1 1 A 17 17 LYS CB C 17 32.370 32.068 0.302 1
1 220 . 18 1 1 A 17 17 LYS N N 17 118.450 118.290 0.160 1
1 221 . 18 1 1 A 18 18 ILE H H 18 6.751 7.479 -0.728 1
1 222 . 18 1 1 A 18 18 ILE HA H 18 3.830 3.926 -0.096 1
1 232 . 18 1 1 A 18 18 ILE C C 18 176.560 175.504 1.056 1
1 233 . 18 1 1 A 18 18 ILE CA C 18 58.640 60.939 -2.299 1
1 234 . 18 1 1 A 18 18 ILE CB C 18 35.940 37.445 -1.505 1
1 238 . 18 1 1 A 18 18 ILE N N 18 118.790 121.792 -3.002 1
1 239 . 18 1 1 A 19 19 LYS H H 19 8.815 8.564 0.251 1
1 240 . 18 1 1 A 19 19 LYS HA H 19 4.189 4.430 -0.241 1
1 249 . 18 1 1 A 19 19 LYS C C 19 178.340 176.670 1.670 1
1 250 . 18 1 1 A 19 19 LYS CA C 19 57.250 55.756 1.494 1
1 251 . 18 1 1 A 19 19 LYS CB C 19 32.800 33.128 -0.328 1
1 255 . 18 1 1 A 19 19 LYS N N 19 129.030 127.635 1.395 1
1 256 . 18 1 1 A 20 20 LYS H H 20 9.032 9.011 0.021 1
1 257 . 18 1 1 A 20 20 LYS HA H 20 3.854 3.873 -0.019 1
1 266 . 18 1 1 A 20 20 LYS C C 20 178.390 177.923 0.467 1
1 267 . 18 1 1 A 20 20 LYS CA C 20 59.740 60.442 -0.702 1
1 268 . 18 1 1 A 20 20 LYS CB C 20 31.390 32.117 -0.727 1
1 272 . 18 1 1 A 20 20 LYS N N 20 123.440 120.251 3.189 1
1 273 . 18 1 1 A 21 21 GLU H H 21 9.341 8.075 1.266 1
1 274 . 18 1 1 A 21 21 GLU HA H 21 4.074 4.093 -0.019 1
1 279 . 18 1 1 A 21 21 GLU C C 21 179.120 179.352 -0.232 1
1 280 . 18 1 1 A 21 21 GLU CA C 21 60.270 59.390 0.880 1
1 281 . 18 1 1 A 21 21 GLU CB C 21 28.840 29.029 -0.189 1
1 283 . 18 1 1 A 21 21 GLU N N 21 117.890 118.526 -0.636 1
1 284 . 18 1 1 A 22 22 GLU H H 22 6.994 8.010 -1.016 1
1 285 . 18 1 1 A 22 22 GLU HA H 22 4.166 4.078 0.088 1
1 290 . 18 1 1 A 22 22 GLU C C 22 178.200 179.088 -0.888 1
1 291 . 18 1 1 A 22 22 GLU CA C 22 58.530 59.036 -0.506 1
1 292 . 18 1 1 A 22 22 GLU CB C 22 29.180 29.420 -0.240 1
1 294 . 18 1 1 A 22 22 GLU N N 22 119.810 120.415 -0.605 1
1 295 . 18 1 1 A 23 23 LEU H H 23 8.462 8.413 0.049 1
1 296 . 18 1 1 A 23 23 LEU HA H 23 3.981 4.174 -0.193 1
1 306 . 18 1 1 A 23 23 LEU C C 23 178.780 178.547 0.233 1
1 307 . 18 1 1 A 23 23 LEU CA C 23 58.840 58.245 0.595 1
1 308 . 18 1 1 A 23 23 LEU CB C 23 42.420 41.953 0.467 1
1 312 . 18 1 1 A 23 23 LEU N N 23 121.220 122.379 -1.159 1
1 313 . 18 1 1 A 24 24 LYS H H 24 8.411 8.410 0.001 1
1 314 . 18 1 1 A 24 24 LYS HA H 24 3.808 3.714 0.094 1
1 323 . 18 1 1 A 24 24 LYS C C 24 178.200 180.017 -1.817 1
1 324 . 18 1 1 A 24 24 LYS CA C 24 61.500 60.309 1.191 1
1 325 . 18 1 1 A 24 24 LYS CB C 24 32.500 32.373 0.127 1
1 329 . 18 1 1 A 24 24 LYS N N 24 116.620 118.956 -2.336 1
1 330 . 18 1 1 A 25 25 LYS H H 25 7.592 8.254 -0.662 1
1 331 . 18 1 1 A 25 25 LYS HA H 25 4.181 4.158 0.023 1
1 340 . 18 1 1 A 25 25 LYS C C 25 180.280 179.495 0.785 1
1 341 . 18 1 1 A 25 25 LYS CA C 25 60.140 59.370 0.770 1
1 342 . 18 1 1 A 25 25 LYS CB C 25 32.690 32.129 0.561 1
1 346 . 18 1 1 A 25 25 LYS N N 25 118.830 119.932 -1.102 1
1 347 . 18 1 1 A 26 26 SER H H 26 8.845 8.401 0.444 1
1 348 . 18 1 1 A 26 26 SER HA H 26 4.570 4.153 0.417 1
1 351 . 18 1 1 A 26 26 SER C C 26 176.880 176.185 0.695 1
1 352 . 18 1 1 A 26 26 SER CA C 26 62.210 62.435 -0.225 1
1 353 . 18 1 1 A 26 26 SER CB C 26 63.320 63.089 0.231 1
1 354 . 18 1 1 A 26 26 SER N N 26 117.880 116.889 0.991 1
1 355 . 18 1 1 A 27 27 LEU H H 27 9.040 8.474 0.566 1
1 356 . 18 1 1 A 27 27 LEU HA H 27 4.190 4.068 0.122 1
1 366 . 18 1 1 A 27 27 LEU C C 27 179.100 179.044 0.056 1
1 367 . 18 1 1 A 27 27 LEU CA C 27 57.960 57.722 0.238 1
1 368 . 18 1 1 A 27 27 LEU CB C 27 43.030 41.622 1.408 1
1 372 . 18 1 1 A 27 27 LEU N N 27 122.840 121.297 1.543 1
1 373 . 18 1 1 A 28 28 TYR H H 28 8.535 8.411 0.124 1
1 374 . 18 1 1 A 28 28 TYR HA H 28 3.826 4.437 -0.611 1
1 379 . 18 1 1 A 28 28 TYR C C 28 178.360 177.923 0.437 1
1 380 . 18 1 1 A 28 28 TYR CA C 28 63.220 61.559 1.661 1
1 381 . 18 1 1 A 28 28 TYR CB C 28 38.320 37.409 0.911 1
1 384 . 18 1 1 A 28 28 TYR N N 28 121.030 118.110 2.920 1
1 385 . 18 1 1 A 29 29 ALA H H 29 8.009 8.207 -0.198 1
1 386 . 18 1 1 A 29 29 ALA HA H 29 3.364 4.191 -0.827 1
1 390 . 18 1 1 A 29 29 ALA CA C 29 55.420 54.912 0.508 1
1 391 . 18 1 1 A 29 29 ALA CB C 29 18.920 18.735 0.185 1
1 392 . 18 1 1 A 29 29 ALA N N 29 120.570 122.203 -1.633 1
1 393 . 18 1 1 A 30 30 ILE HA H 30 4.048 4.421 -0.373 1
1 403 . 18 1 1 A 30 30 ILE C C 30 177.270 177.941 -0.671 1
1 404 . 18 1 1 A 30 30 ILE CA C 30 63.380 61.737 1.643 1
1 405 . 18 1 1 A 30 30 ILE CB C 30 38.850 39.630 -0.780 1
1 409 . 18 1 1 A 31 31 PHE H H 31 8.446 8.533 -0.087 1
1 410 . 18 1 1 A 31 31 PHE HA H 31 4.900 4.474 0.426 1
1 415 . 18 1 1 A 31 31 PHE C C 31 177.820 178.657 -0.837 1
1 416 . 18 1 1 A 31 31 PHE CA C 31 62.380 60.359 2.021 1
1 417 . 18 1 1 A 31 31 PHE CB C 31 38.900 38.086 0.814 1
1 418 . 18 1 1 A 31 31 PHE N N 31 115.770 121.966 -6.196 1
1 419 . 18 1 1 A 32 32 SER H H 32 8.392 8.075 0.317 1
1 420 . 18 1 1 A 32 32 SER HA H 32 4.365 4.622 -0.257 1
1 423 . 18 1 1 A 32 32 SER C C 32 176.140 176.537 -0.397 1
1 424 . 18 1 1 A 32 32 SER CA C 32 61.680 62.128 -0.448 1
1 425 . 18 1 1 A 32 32 SER CB C 32 62.460 63.133 -0.673 1
1 426 . 18 1 1 A 32 32 SER N N 32 116.890 115.797 1.093 1
1 427 . 18 1 1 A 33 33 GLN H H 33 7.310 7.818 -0.508 1
1 428 . 18 1 1 A 33 33 GLN HA H 33 4.059 3.963 0.096 1
1 435 . 18 1 1 A 33 33 GLN C C 33 176.330 176.705 -0.375 1
1 436 . 18 1 1 A 33 33 GLN CA C 33 57.220 58.097 -0.877 1
1 437 . 18 1 1 A 33 33 GLN CB C 33 28.040 28.416 -0.376 1
1 439 . 18 1 1 A 33 33 GLN N N 33 117.530 119.632 -2.102 1
1 441 . 18 1 1 A 34 34 PHE H H 34 7.626 7.718 -0.092 1
1 442 . 18 1 1 A 34 34 PHE HA H 34 4.435 4.693 -0.258 1
1 447 . 18 1 1 A 34 34 PHE C C 34 175.590 176.048 -0.458 1
1 448 . 18 1 1 A 34 34 PHE CA C 34 59.410 58.779 0.631 1
1 449 . 18 1 1 A 34 34 PHE CB C 34 39.380 41.199 -1.819 1
1 452 . 18 1 1 A 34 34 PHE N N 34 116.090 114.103 1.987 1
1 453 . 18 1 1 A 35 35 GLY H H 35 7.595 7.778 -0.183 1
1 454 . 18 1 1 A 35 35 GLY HA2 H 35 3.960 4.125 -0.165 1
1 455 . 18 1 1 A 35 35 GLY HA3 H 35 4.612 4.216 0.396 1
1 456 . 18 1 1 A 35 35 GLY C C 35 170.890 173.157 -2.267 1
1 457 . 18 1 1 A 35 35 GLY CA C 35 44.160 45.034 -0.874 1
1 458 . 18 1 1 A 35 35 GLY N N 35 107.470 104.153 3.317 1
1 459 . 18 1 1 A 36 36 GLN H H 36 8.404 8.767 -0.363 1
1 460 . 18 1 1 A 36 36 GLN HA H 36 4.275 4.401 -0.126 1
1 467 . 18 1 1 A 36 36 GLN C C 36 176.650 176.212 0.438 1
1 468 . 18 1 1 A 36 36 GLN CA C 36 57.180 56.567 0.613 1
1 469 . 18 1 1 A 36 36 GLN CB C 36 29.360 29.155 0.205 1
1 471 . 18 1 1 A 36 36 GLN N N 36 116.620 124.601 -7.981 1
1 473 . 18 1 1 A 37 37 ILE H H 37 9.009 8.934 0.075 1
1 474 . 18 1 1 A 37 37 ILE HA H 37 4.068 3.934 0.134 1
1 484 . 18 1 1 A 37 37 ILE C C 37 176.530 175.898 0.632 1
1 485 . 18 1 1 A 37 37 ILE CA C 37 61.270 61.918 -0.648 1
1 486 . 18 1 1 A 37 37 ILE CB C 37 40.600 38.105 2.495 1
1 490 . 18 1 1 A 37 37 ILE N N 37 129.370 127.728 1.642 1
1 491 . 18 1 1 A 38 38 LEU H H 38 9.472 9.325 0.147 1
1 492 . 18 1 1 A 38 38 LEU HA H 38 4.291 4.558 -0.267 1
1 502 . 18 1 1 A 38 38 LEU C C 38 176.900 175.370 1.530 1
1 503 . 18 1 1 A 38 38 LEU CA C 38 56.520 55.889 0.631 1
1 504 . 18 1 1 A 38 38 LEU CB C 38 42.030 45.133 -3.103 1
1 508 . 18 1 1 A 38 38 LEU N N 38 128.180 127.758 0.422 1
1 509 . 18 1 1 A 39 39 ASP H H 39 7.493 7.659 -0.166 1
1 510 . 18 1 1 A 39 39 ASP HA H 39 4.715 4.963 -0.248 1
1 513 . 18 1 1 A 39 39 ASP C C 39 173.560 173.705 -0.145 1
1 514 . 18 1 1 A 39 39 ASP CA C 39 53.510 53.456 0.054 1
1 515 . 18 1 1 A 39 39 ASP CB C 39 44.160 43.836 0.324 1
1 516 . 18 1 1 A 39 39 ASP N N 39 114.640 117.282 -2.642 1
1 517 . 18 1 1 A 40 40 ILE H H 40 8.537 8.491 0.046 1
1 518 . 18 1 1 A 40 40 ILE HA H 40 4.722 4.763 -0.041 1
1 528 . 18 1 1 A 40 40 ILE C C 40 174.090 174.685 -0.595 1
1 529 . 18 1 1 A 40 40 ILE CA C 40 61.060 59.816 1.244 1
1 530 . 18 1 1 A 40 40 ILE CB C 40 41.220 42.172 -0.952 1
1 534 . 18 1 1 A 40 40 ILE N N 40 119.670 121.896 -2.226 1
1 535 . 18 1 1 A 41 41 VAL H H 41 8.807 8.773 0.034 1
1 536 . 18 1 1 A 41 41 VAL HA H 41 4.195 4.942 -0.747 1
1 544 . 18 1 1 A 41 41 VAL C C 41 174.470 174.591 -0.121 1
1 545 . 18 1 1 A 41 41 VAL CA C 41 61.020 60.779 0.241 1
1 546 . 18 1 1 A 41 41 VAL CB C 41 34.160 34.766 -0.606 1
1 549 . 18 1 1 A 41 41 VAL N N 41 127.000 125.836 1.164 1
1 550 . 18 1 1 A 42 42 ALA H H 42 8.708 8.748 -0.040 1
1 551 . 18 1 1 A 42 42 ALA HA H 42 4.796 4.996 -0.200 1
1 555 . 18 1 1 A 42 42 ALA C C 42 175.210 175.403 -0.193 1
1 556 . 18 1 1 A 42 42 ALA CA C 42 51.430 51.295 0.135 1
1 557 . 18 1 1 A 42 42 ALA CB C 42 19.780 24.023 -4.243 1
1 558 . 18 1 1 A 42 42 ALA N N 42 130.100 128.076 2.024 1
1 559 . 18 1 1 A 43 43 LEU H H 43 8.224 9.057 -0.833 1
1 560 . 18 1 1 A 43 43 LEU HA H 43 4.575 4.933 -0.358 1
1 570 . 18 1 1 A 43 43 LEU CA C 43 54.620 53.564 1.056 1
1 571 . 18 1 1 A 43 43 LEU CB C 43 43.640 46.093 -2.453 1
1 575 . 18 1 1 A 43 43 LEU N N 43 122.270 119.143 3.127 1
1 576 . 18 1 1 A 44 44 LYS HA H 44 4.570 4.125 0.445 1
1 585 . 18 1 1 A 44 44 LYS CA C 44 56.000 58.290 -2.290 1
1 586 . 18 1 1 A 44 44 LYS CB C 44 32.940 32.741 0.199 1
1 590 . 18 1 1 A 45 45 THR H H 45 7.706 7.605 0.101 1
1 591 . 18 1 1 A 45 45 THR HA H 45 4.494 4.188 0.306 1
1 596 . 18 1 1 A 45 45 THR CA C 45 60.500 62.107 -1.607 1
1 597 . 18 1 1 A 45 45 THR CB C 45 70.450 69.725 0.725 1
1 599 . 18 1 1 A 45 45 THR N N 45 113.650 111.852 1.798 1
1 600 . 18 1 1 A 46 46 LEU HA H 46 4.142 4.019 0.123 1
1 610 . 18 1 1 A 46 46 LEU C C 46 179.030 177.820 1.210 1
1 611 . 18 1 1 A 46 46 LEU CA C 46 57.630 58.634 -1.004 1
1 612 . 18 1 1 A 46 46 LEU CB C 46 42.020 41.221 0.799 1
1 616 . 18 1 1 A 47 47 LYS H H 47 8.325 7.999 0.326 1
1 617 . 18 1 1 A 47 47 LYS HA H 47 4.139 4.114 0.025 1
1 626 . 18 1 1 A 47 47 LYS C C 47 176.700 177.690 -0.990 1
1 627 . 18 1 1 A 47 47 LYS CA C 47 57.800 58.640 -0.840 1
1 628 . 18 1 1 A 47 47 LYS CB C 47 32.440 32.212 0.228 1
1 632 . 18 1 1 A 47 47 LYS N N 47 116.870 119.278 -2.408 1
1 633 . 18 1 1 A 48 48 MET H H 48 7.649 7.882 -0.233 1
1 634 . 18 1 1 A 48 48 MET HA H 48 4.581 4.780 -0.199 1
1 642 . 18 1 1 A 48 48 MET C C 48 175.550 176.351 -0.801 1
1 643 . 18 1 1 A 48 48 MET CA C 48 54.970 55.114 -0.144 1
1 644 . 18 1 1 A 48 48 MET CB C 48 32.770 33.932 -1.162 1
1 647 . 18 1 1 A 48 48 MET N N 48 116.090 116.024 0.066 1
1 648 . 18 1 1 A 49 49 ARG H H 49 7.653 8.382 -0.729 1
1 649 . 18 1 1 A 49 49 ARG HA H 49 4.377 4.582 -0.205 1
1 656 . 18 1 1 A 49 49 ARG C C 49 177.450 178.205 -0.755 1
1 657 . 18 1 1 A 49 49 ARG CA C 49 57.250 57.004 0.246 1
1 658 . 18 1 1 A 49 49 ARG CB C 49 30.400 32.347 -1.947 1
1 661 . 18 1 1 A 49 49 ARG N N 49 119.580 121.058 -1.478 1
1 662 . 18 1 1 A 50 50 GLY H H 50 9.177 8.290 0.887 1
1 663 . 18 1 1 A 50 50 GLY HA2 H 50 3.960 3.953 0.007 1
1 664 . 18 1 1 A 50 50 GLY HA3 H 50 4.107 3.954 0.153 1
1 665 . 18 1 1 A 50 50 GLY C C 50 172.960 173.712 -0.752 1
1 666 . 18 1 1 A 50 50 GLY CA C 50 46.140 45.503 0.637 1
1 667 . 18 1 1 A 50 50 GLY N N 50 111.640 107.103 4.537 1
1 668 . 18 1 1 A 51 51 GLN H H 51 7.853 7.621 0.232 1
1 669 . 18 1 1 A 51 51 GLN HA H 51 5.516 4.835 0.681 1
1 675 . 18 1 1 A 51 51 GLN C C 51 174.800 174.042 0.758 1
1 676 . 18 1 1 A 51 51 GLN CA C 51 54.160 53.817 0.343 1
1 677 . 18 1 1 A 51 51 GLN CB C 51 34.330 33.506 0.824 1
1 679 . 18 1 1 A 51 51 GLN N N 51 117.000 118.439 -1.439 1
1 681 . 18 1 1 A 52 52 ALA H H 52 8.765 8.340 0.425 1
1 682 . 18 1 1 A 52 52 ALA HA H 52 5.098 4.784 0.314 1
1 686 . 18 1 1 A 52 52 ALA C C 52 174.820 175.151 -0.331 1
1 687 . 18 1 1 A 52 52 ALA CA C 52 51.170 51.113 0.057 1
1 688 . 18 1 1 A 52 52 ALA CB C 52 23.350 23.698 -0.348 1
1 689 . 18 1 1 A 52 52 ALA N N 52 121.050 121.513 -0.463 1
1 690 . 18 1 1 A 53 53 PHE H H 53 8.840 8.775 0.065 1
1 691 . 18 1 1 A 53 53 PHE HA H 53 5.615 5.467 0.148 1
1 696 . 18 1 1 A 53 53 PHE C C 53 174.870 174.449 0.421 1
1 697 . 18 1 1 A 53 53 PHE CA C 53 55.770 56.465 -0.695 1
1 698 . 18 1 1 A 53 53 PHE CB C 53 41.530 43.797 -2.267 1
1 701 . 18 1 1 A 53 53 PHE N N 53 115.860 116.217 -0.357 1
1 702 . 18 1 1 A 54 54 VAL H H 54 8.766 8.592 0.174 1
1 703 . 18 1 1 A 54 54 VAL HA H 54 4.169 4.575 -0.406 1
1 711 . 18 1 1 A 54 54 VAL C C 54 173.330 173.639 -0.309 1
1 712 . 18 1 1 A 54 54 VAL CA C 54 61.920 60.048 1.872 1
1 713 . 18 1 1 A 54 54 VAL CB C 54 32.860 35.278 -2.418 1
1 716 . 18 1 1 A 54 54 VAL N N 54 121.920 118.907 3.013 1
1 717 . 18 1 1 A 55 55 ILE H H 55 8.319 9.016 -0.697 1
1 718 . 18 1 1 A 55 55 ILE HA H 55 4.512 5.184 -0.672 1
1 728 . 18 1 1 A 55 55 ILE C C 55 173.920 174.512 -0.592 1
1 729 . 18 1 1 A 55 55 ILE CA C 55 60.880 59.988 0.892 1
1 730 . 18 1 1 A 55 55 ILE CB C 55 39.130 39.781 -0.651 1
1 734 . 18 1 1 A 55 55 ILE N N 55 126.350 127.857 -1.507 1
1 735 . 18 1 1 A 56 56 PHE H H 56 9.009 9.105 -0.096 1
1 736 . 18 1 1 A 56 56 PHE HA H 56 4.889 4.893 -0.004 1
1 741 . 18 1 1 A 56 56 PHE C C 56 175.180 176.197 -1.017 1
1 742 . 18 1 1 A 56 56 PHE CA C 56 59.030 57.013 2.017 1
1 743 . 18 1 1 A 56 56 PHE CB C 56 40.320 43.102 -2.782 1
1 744 . 18 1 1 A 56 56 PHE N N 56 126.440 125.109 1.331 1
1 745 . 18 1 1 A 57 57 LYS H H 57 8.191 8.910 -0.719 1
1 746 . 18 1 1 A 57 57 LYS HA H 57 3.969 4.202 -0.233 1
1 755 . 18 1 1 A 57 57 LYS C C 57 176.140 176.376 -0.236 1
1 756 . 18 1 1 A 57 57 LYS CA C 57 59.290 58.359 0.931 1
1 757 . 18 1 1 A 57 57 LYS CB C 57 33.850 32.943 0.907 1
1 761 . 18 1 1 A 57 57 LYS N N 57 119.130 121.084 -1.954 1
1 762 . 18 1 1 A 58 58 GLU H H 58 8.614 7.873 0.741 1
1 763 . 18 1 1 A 58 58 GLU HA H 58 4.850 4.713 0.137 1
1 768 . 18 1 1 A 58 58 GLU C C 58 177.130 176.335 0.795 1
1 769 . 18 1 1 A 58 58 GLU CA C 58 54.130 55.598 -1.468 1
1 770 . 18 1 1 A 58 58 GLU CB C 58 32.230 33.073 -0.843 1
1 772 . 18 1 1 A 58 58 GLU N N 58 114.350 117.848 -3.498 1
1 773 . 18 1 1 A 59 59 ILE H H 59 8.825 8.687 0.138 1
1 774 . 18 1 1 A 59 59 ILE HA H 59 3.499 3.829 -0.330 1
1 784 . 18 1 1 A 59 59 ILE C C 59 177.650 178.174 -0.524 1
1 785 . 18 1 1 A 59 59 ILE CA C 59 65.660 64.270 1.390 1
1 786 . 18 1 1 A 59 59 ILE CB C 59 38.040 37.700 0.340 1
1 790 . 18 1 1 A 59 59 ILE N N 59 122.940 123.246 -0.306 1
1 791 . 18 1 1 A 60 60 GLY H H 60 8.875 8.360 0.515 1
1 792 . 18 1 1 A 60 60 GLY HA2 H 60 3.780 3.786 -0.006 1
1 793 . 18 1 1 A 60 60 GLY HA3 H 60 3.925 3.798 0.127 1
1 794 . 18 1 1 A 60 60 GLY C C 60 176.700 176.419 0.281 1
1 795 . 18 1 1 A 60 60 GLY CA C 60 47.070 47.517 -0.447 1
1 796 . 18 1 1 A 60 60 GLY N N 60 106.980 110.876 -3.896 1
1 797 . 18 1 1 A 61 61 SER H H 61 6.973 8.030 -1.057 1
1 798 . 18 1 1 A 61 61 SER HA H 61 4.141 4.253 -0.112 1
1 801 . 18 1 1 A 61 61 SER C C 61 174.060 176.179 -2.119 1
1 802 . 18 1 1 A 61 61 SER CA C 61 61.870 62.495 -0.625 1
1 803 . 18 1 1 A 61 61 SER CB C 61 63.150 62.822 0.328 1
1 804 . 18 1 1 A 61 61 SER N N 61 116.200 119.349 -3.149 1
1 805 . 18 1 1 A 62 62 ALA H H 62 6.786 8.035 -1.249 1
1 806 . 18 1 1 A 62 62 ALA HA H 62 3.370 3.015 0.355 1
1 810 . 18 1 1 A 62 62 ALA C C 62 178.960 179.027 -0.067 1
1 811 . 18 1 1 A 62 62 ALA CA C 62 55.370 54.834 0.536 1
1 812 . 18 1 1 A 62 62 ALA CB C 62 19.030 18.062 0.968 1
1 813 . 18 1 1 A 62 62 ALA N N 62 123.660 123.675 -0.015 1
1 814 . 18 1 1 A 63 63 SER H H 63 8.379 8.024 0.355 1
1 815 . 18 1 1 A 63 63 SER HA H 63 4.551 4.127 0.424 1
1 818 . 18 1 1 A 63 63 SER C C 63 177.040 176.080 0.960 1
1 819 . 18 1 1 A 63 63 SER CA C 63 61.000 61.679 -0.679 1
1 820 . 18 1 1 A 63 63 SER CB C 63 63.090 62.931 0.159 1
1 821 . 18 1 1 A 63 63 SER N N 63 111.560 112.996 -1.436 1
1 822 . 18 1 1 A 64 64 ASN H H 64 7.737 8.451 -0.714 1
1 823 . 18 1 1 A 64 64 ASN HA H 64 4.434 4.363 0.071 1
1 828 . 18 1 1 A 64 64 ASN C C 64 177.490 177.068 0.422 1
1 829 . 18 1 1 A 64 64 ASN CA C 64 55.410 56.250 -0.840 1
1 830 . 18 1 1 A 64 64 ASN CB C 64 37.930 38.798 -0.868 1
1 831 . 18 1 1 A 64 64 ASN N N 64 120.200 120.212 -0.012 1
1 833 . 18 1 1 A 65 65 ALA H H 65 8.085 8.054 0.031 1
1 834 . 18 1 1 A 65 65 ALA HA H 65 4.864 3.995 0.869 1
1 838 . 18 1 1 A 65 65 ALA C C 65 178.180 179.472 -1.292 1
1 839 . 18 1 1 A 65 65 ALA CA C 65 54.700 54.988 -0.288 1
1 840 . 18 1 1 A 65 65 ALA CB C 65 19.950 18.075 1.875 1
1 841 . 18 1 1 A 65 65 ALA N N 65 125.150 121.814 3.336 1
1 842 . 18 1 1 A 66 66 LEU H H 66 8.083 7.982 0.101 1
1 843 . 18 1 1 A 66 66 LEU HA H 66 3.560 4.083 -0.523 1
1 853 . 18 1 1 A 66 66 LEU C C 66 177.650 178.401 -0.751 1
1 854 . 18 1 1 A 66 66 LEU CA C 66 59.540 57.884 1.656 1
1 855 . 18 1 1 A 66 66 LEU CB C 66 42.020 41.449 0.571 1
1 859 . 18 1 1 A 66 66 LEU N N 66 118.670 119.533 -0.863 1
1 860 . 18 1 1 A 67 67 ARG H H 67 7.620 7.932 -0.312 1
1 861 . 18 1 1 A 67 67 ARG HA H 67 3.939 4.024 -0.085 1
1 868 . 18 1 1 A 67 67 ARG C C 67 178.960 178.688 0.272 1
1 869 . 18 1 1 A 67 67 ARG CA C 67 58.860 59.055 -0.195 1
1 870 . 18 1 1 A 67 67 ARG CB C 67 30.570 29.596 0.974 1
1 873 . 18 1 1 A 67 67 ARG N N 67 114.570 118.912 -4.342 1
1 874 . 18 1 1 A 68 68 THR H H 68 7.850 7.790 0.060 1
1 875 . 18 1 1 A 68 68 THR HA H 68 4.040 3.769 0.271 1
1 880 . 18 1 1 A 68 68 THR C C 68 175.960 175.124 0.836 1
1 881 . 18 1 1 A 68 68 THR CA C 68 66.160 66.323 -0.163 1
1 882 . 18 1 1 A 68 68 THR CB C 68 69.260 68.144 1.116 1
1 884 . 18 1 1 A 68 68 THR N N 68 112.630 116.755 -4.125 1
1 885 . 18 1 1 A 69 69 MET H H 69 7.934 7.870 0.064 1
1 886 . 18 1 1 A 69 69 MET HA H 69 4.734 4.313 0.421 1
1 894 . 18 1 1 A 69 69 MET C C 69 175.820 175.859 -0.039 1
1 895 . 18 1 1 A 69 69 MET CA C 69 53.560 54.819 -1.259 1
1 896 . 18 1 1 A 69 69 MET CB C 69 29.730 32.321 -2.591 1
1 899 . 18 1 1 A 69 69 MET N N 69 115.080 115.901 -0.821 1
1 900 . 18 1 1 A 70 70 GLN H H 70 7.003 7.362 -0.359 1
1 901 . 18 1 1 A 70 70 GLN HA H 70 4.043 4.288 -0.245 1
1 908 . 18 1 1 A 70 70 GLN C C 70 178.020 176.402 1.618 1
1 909 . 18 1 1 A 70 70 GLN CA C 70 57.710 56.895 0.815 1
1 910 . 18 1 1 A 70 70 GLN CB C 70 30.080 28.421 1.659 1
1 912 . 18 1 1 A 70 70 GLN N N 70 120.730 118.986 1.744 1
1 914 . 18 1 1 A 71 71 GLY H H 71 8.693 8.955 -0.262 1
1 915 . 18 1 1 A 71 71 GLY HA2 H 71 4.230 3.947 0.283 1
1 916 . 18 1 1 A 71 71 GLY HA3 H 71 3.817 3.949 -0.132 1
1 917 . 18 1 1 A 71 71 GLY C C 71 173.290 174.292 -1.002 1
1 918 . 18 1 1 A 71 71 GLY CA C 71 45.960 45.661 0.299 1
1 919 . 18 1 1 A 71 71 GLY N N 71 118.750 112.354 6.396 1
1 920 . 18 1 1 A 72 72 PHE H H 72 8.426 8.078 0.348 1
1 921 . 18 1 1 A 72 72 PHE HA H 72 4.641 4.525 0.116 1
1 926 . 18 1 1 A 72 72 PHE CA C 72 56.830 57.057 -0.227 1
1 927 . 18 1 1 A 72 72 PHE CB C 72 40.650 39.936 0.714 1
1 928 . 18 1 1 A 72 72 PHE N N 72 124.640 122.088 2.552 1
1 929 . 18 1 1 A 73 73 PRO HA H 73 4.052 4.726 -0.674 1
1 934 . 18 1 1 A 73 73 PRO C C 73 174.500 176.383 -1.883 1
1 935 . 18 1 1 A 73 73 PRO CA C 73 62.460 62.089 0.371 1
1 936 . 18 1 1 A 73 73 PRO CB C 73 30.700 28.901 1.799 1
1 939 . 18 1 1 A 74 74 PHE H H 74 8.382 8.568 -0.186 1
1 940 . 18 1 1 A 74 74 PHE HA H 74 4.235 4.319 -0.084 1
1 945 . 18 1 1 A 74 74 PHE C C 74 175.590 174.586 1.004 1
1 946 . 18 1 1 A 74 74 PHE CA C 74 56.440 61.794 -5.354 1
1 947 . 18 1 1 A 74 74 PHE CB C 74 42.540 39.834 2.706 1
1 950 . 18 1 1 A 74 74 PHE N N 74 128.220 123.506 4.714 1
1 951 . 18 1 1 A 75 75 TYR H H 75 9.185 7.895 1.290 1
1 952 . 18 1 1 A 75 75 TYR HA H 75 3.764 4.908 -1.144 1
1 957 . 18 1 1 A 75 75 TYR C C 75 175.210 175.338 -0.128 1
1 958 . 18 1 1 A 75 75 TYR CA C 75 60.780 57.059 3.721 1
1 959 . 18 1 1 A 75 75 TYR CB C 75 36.110 42.187 -6.077 1
1 962 . 18 1 1 A 75 75 TYR N N 75 128.090 115.313 12.777 1
1 963 . 18 1 1 A 76 76 ASP H H 76 8.306 9.025 -0.719 1
1 964 . 18 1 1 A 76 76 ASP HA H 76 4.075 4.699 -0.624 1
1 967 . 18 1 1 A 76 76 ASP C C 76 175.390 175.549 -0.159 1
1 968 . 18 1 1 A 76 76 ASP CA C 76 56.360 54.830 1.530 1
1 969 . 18 1 1 A 76 76 ASP CB C 76 40.510 40.723 -0.213 1
1 970 . 18 1 1 A 76 76 ASP N N 76 107.370 122.009 -14.639 1
1 971 . 18 1 1 A 77 77 LYS H H 77 7.687 7.705 -0.018 1
1 972 . 18 1 1 A 77 77 LYS HA H 77 5.020 4.779 0.241 1
1 981 . 18 1 1 A 77 77 LYS CA C 77 53.450 52.781 0.669 1
1 982 . 18 1 1 A 77 77 LYS CB C 77 34.800 34.159 0.641 1
1 986 . 18 1 1 A 77 77 LYS N N 77 118.880 119.194 -0.314 1
1 987 . 18 1 1 A 78 78 PRO HA H 78 4.240 4.503 -0.263 1
1 994 . 18 1 1 A 78 78 PRO C C 78 177.470 177.076 0.394 1
1 995 . 18 1 1 A 78 78 PRO CA C 78 62.310 62.907 -0.597 1
1 996 . 18 1 1 A 78 78 PRO CB C 78 31.690 32.355 -0.665 1
1 999 . 18 1 1 A 79 79 MET H H 79 8.696 8.501 0.195 1
1 1000 . 18 1 1 A 79 79 MET HA H 79 4.289 4.592 -0.303 1
1 1008 . 18 1 1 A 79 79 MET C C 79 175.960 176.103 -0.143 1
1 1009 . 18 1 1 A 79 79 MET CA C 79 58.600 56.533 2.067 1
1 1010 . 18 1 1 A 79 79 MET CB C 79 35.200 33.607 1.593 1
1 1013 . 18 1 1 A 79 79 MET N N 79 126.540 121.920 4.620 1
1 1014 . 18 1 1 A 80 80 GLN H H 80 7.779 8.252 -0.473 1
1 1015 . 18 1 1 A 80 80 GLN HA H 80 4.855 5.318 -0.463 1
1 1022 . 18 1 1 A 80 80 GLN C C 80 174.820 174.695 0.125 1
1 1023 . 18 1 1 A 80 80 GLN CA C 80 54.550 54.304 0.246 1
1 1024 . 18 1 1 A 80 80 GLN CB C 80 29.320 32.130 -2.810 1
1 1026 . 18 1 1 A 80 80 GLN N N 80 122.810 119.264 3.546 1
1 1028 . 18 1 1 A 81 81 ILE H H 81 9.682 8.772 0.910 1
1 1029 . 18 1 1 A 81 81 ILE HA H 81 5.010 5.075 -0.065 1
1 1039 . 18 1 1 A 81 81 ILE C C 81 174.710 174.485 0.225 1
1 1040 . 18 1 1 A 81 81 ILE CA C 81 60.900 60.033 0.867 1
1 1041 . 18 1 1 A 81 81 ILE CB C 81 40.120 42.332 -2.212 1
1 1045 . 18 1 1 A 81 81 ILE N N 81 126.070 122.771 3.299 1
1 1046 . 18 1 1 A 82 82 ALA H H 82 9.039 8.376 0.663 1
1 1047 . 18 1 1 A 82 82 ALA HA H 82 4.620 5.006 -0.386 1
1 1051 . 18 1 1 A 82 82 ALA C C 82 176.700 176.005 0.695 1
1 1052 . 18 1 1 A 82 82 ALA CA C 82 50.890 51.090 -0.200 1
1 1053 . 18 1 1 A 82 82 ALA CB C 82 23.420 23.482 -0.062 1
1 1054 . 18 1 1 A 82 82 ALA N N 82 130.310 125.926 4.384 1
1 1055 . 18 1 1 A 83 83 TYR H H 83 8.411 8.802 -0.391 1
1 1056 . 18 1 1 A 83 83 TYR HA H 83 4.905 4.606 0.299 1
1 1061 . 18 1 1 A 83 83 TYR C C 83 176.900 175.647 1.253 1
1 1062 . 18 1 1 A 83 83 TYR CA C 83 59.280 57.800 1.480 1
1 1063 . 18 1 1 A 83 83 TYR CB C 83 39.350 39.614 -0.264 1
1 1065 . 18 1 1 A 83 83 TYR N N 83 118.580 119.275 -0.695 1
1 1066 . 18 1 1 A 84 84 SER H H 84 8.452 8.797 -0.345 1
1 1067 . 18 1 1 A 84 84 SER HA H 84 4.248 4.694 -0.446 1
1 1070 . 18 1 1 A 84 84 SER C C 84 174.220 174.542 -0.322 1
1 1071 . 18 1 1 A 84 84 SER CA C 84 58.560 59.348 -0.788 1
1 1072 . 18 1 1 A 84 84 SER CB C 84 64.100 64.184 -0.084 1
1 1073 . 18 1 1 A 84 84 SER N N 84 115.040 118.884 -3.844 1
1 1074 . 18 1 1 A 85 85 LYS H H 85 8.443 8.925 -0.482 1
1 1075 . 18 1 1 A 85 85 LYS HA H 85 4.275 4.846 -0.571 1
1 1080 . 18 1 1 A 85 85 LYS C C 85 177.080 176.190 0.890 1
1 1081 . 18 1 1 A 85 85 LYS CA C 85 56.960 54.172 2.788 1
1 1082 . 18 1 1 A 85 85 LYS CB C 85 33.150 36.415 -3.265 1
1 1086 . 18 1 1 A 85 85 LYS N N 85 123.610 123.118 0.492 1
1 1087 . 18 1 1 A 86 86 SER H H 86 8.204 8.502 -0.298 1
1 1088 . 18 1 1 A 86 86 SER HA H 86 4.335 4.430 -0.095 1
1 1090 . 18 1 1 A 86 86 SER C C 86 174.080 174.026 0.054 1
1 1091 . 18 1 1 A 86 86 SER CA C 86 58.400 59.106 -0.706 1
1 1092 . 18 1 1 A 86 86 SER CB C 86 63.750 63.921 -0.171 1
1 1093 . 18 1 1 A 86 86 SER N N 86 115.780 118.096 -2.316 1
1 1094 . 18 1 1 A 87 87 ASP H H 87 8.435 8.545 -0.110 1
1 1095 . 18 1 1 A 87 87 ASP HA H 87 4.578 5.035 -0.457 1
1 1098 . 18 1 1 A 87 87 ASP C C 87 176.630 176.001 0.629 1
1 1099 . 18 1 1 A 87 87 ASP CA C 87 54.260 53.810 0.450 1
1 1100 . 18 1 1 A 87 87 ASP CB C 87 40.780 43.915 -3.135 1
1 1101 . 18 1 1 A 87 87 ASP N N 87 121.910 123.654 -1.744 1
1 1102 . 18 1 1 A 88 88 SER H H 88 8.061 9.010 -0.949 1
1 1103 . 18 1 1 A 88 88 SER HA H 88 4.328 4.091 0.237 1
1 1106 . 18 1 1 A 88 88 SER C C 88 174.840 176.097 -1.257 1
1 1107 . 18 1 1 A 88 88 SER CA C 88 58.800 61.742 -2.942 1
1 1108 . 18 1 1 A 88 88 SER CB C 88 63.870 63.017 0.853 1
1 1109 . 18 1 1 A 88 88 SER N N 88 116.440 120.664 -4.224 1
1 1110 . 18 1 1 A 89 89 ASP H H 89 8.556 8.131 0.425 1
1 1111 . 18 1 1 A 89 89 ASP HA H 89 4.460 4.430 0.030 1
1 1114 . 18 1 1 A 89 89 ASP C C 89 177.450 178.305 -0.855 1
1 1115 . 18 1 1 A 89 89 ASP CA C 89 56.110 56.925 -0.815 1
1 1116 . 18 1 1 A 89 89 ASP CB C 89 40.500 40.826 -0.326 1
1 1117 . 18 1 1 A 89 89 ASP N N 89 123.080 120.674 2.406 1
1 1118 . 18 1 1 A 90 90 ILE H H 90 7.756 7.755 0.001 1
1 1119 . 18 1 1 A 90 90 ILE HA H 90 3.829 3.710 0.119 1
1 1129 . 18 1 1 A 90 90 ILE C C 90 177.060 177.944 -0.884 1
1 1130 . 18 1 1 A 90 90 ILE CA C 90 63.070 64.428 -1.358 1
1 1131 . 18 1 1 A 90 90 ILE CB C 90 38.290 37.107 1.183 1
1 1135 . 18 1 1 A 90 90 ILE N N 90 119.250 118.330 0.920 1
1 1136 . 18 1 1 A 91 91 VAL H H 91 7.459 8.286 -0.827 1
1 1137 . 18 1 1 A 91 91 VAL HA H 91 3.613 3.506 0.107 1
1 1145 . 18 1 1 A 91 91 VAL C C 91 177.080 177.953 -0.873 1
1 1146 . 18 1 1 A 91 91 VAL CA C 91 65.250 66.531 -1.281 1
1 1147 . 18 1 1 A 91 91 VAL CB C 91 31.970 31.541 0.429 1
1 1150 . 18 1 1 A 91 91 VAL N N 91 121.040 121.947 -0.907 1
1 1151 . 18 1 1 A 92 92 ALA H H 92 8.076 8.317 -0.241 1
1 1152 . 18 1 1 A 92 92 ALA HA H 92 4.098 4.069 0.029 1
1 1156 . 18 1 1 A 92 92 ALA C C 92 179.510 179.908 -0.398 1
1 1157 . 18 1 1 A 92 92 ALA CA C 92 54.180 55.269 -1.089 1
1 1158 . 18 1 1 A 92 92 ALA CB C 92 18.660 18.194 0.466 1
1 1159 . 18 1 1 A 92 92 ALA N N 92 122.880 121.730 1.150 1
1 1160 . 18 1 1 A 93 93 LYS H H 93 7.946 7.872 0.074 1
1 1161 . 18 1 1 A 93 93 LYS HA H 93 4.136 3.848 0.288 1
1 1170 . 18 1 1 A 93 93 LYS C C 93 178.300 179.487 -1.187 1
1 1171 . 18 1 1 A 93 93 LYS CA C 93 58.000 59.354 -1.354 1
1 1172 . 18 1 1 A 93 93 LYS CB C 93 32.550 32.331 0.219 1
1 1176 . 18 1 1 A 93 93 LYS N N 93 118.800 117.578 1.222 1
1 1177 . 18 1 1 A 94 94 ILE H H 94 7.894 7.889 0.005 1
1 1178 . 18 1 1 A 94 94 ILE HA H 94 3.906 3.853 0.053 1
1 1188 . 18 1 1 A 94 94 ILE C C 94 177.720 176.998 0.722 1
1 1189 . 18 1 1 A 94 94 ILE CA C 94 63.200 64.254 -1.054 1
1 1190 . 18 1 1 A 94 94 ILE CB C 94 38.330 37.313 1.017 1
1 1194 . 18 1 1 A 94 94 ILE N N 94 120.760 117.931 2.829 1
1 1195 . 18 1 1 A 95 95 LYS H H 95 8.310 7.656 0.654 1
1 1196 . 18 1 1 A 95 95 LYS HA H 95 4.083 4.486 -0.403 1
1 1205 . 18 1 1 A 95 95 LYS C C 95 177.660 178.049 -0.389 1
1 1206 . 18 1 1 A 95 95 LYS CA C 95 57.930 55.308 2.622 1
1 1207 . 18 1 1 A 95 95 LYS CB C 95 32.860 33.628 -0.768 1
1 1211 . 18 1 1 A 95 95 LYS N N 95 121.330 122.519 -1.189 1
1 1212 . 18 1 1 A 96 96 GLY H H 96 8.122 8.735 -0.613 1
1 1213 . 18 1 1 A 96 96 GLY HA2 H 96 3.999 3.897 0.102 1
1 1214 . 18 1 1 A 96 96 GLY HA3 H 96 3.999 3.976 0.023 1
1 1215 . 18 1 1 A 96 96 GLY C C 96 174.640 175.275 -0.635 1
1 1216 . 18 1 1 A 96 96 GLY CA C 96 45.660 45.738 -0.078 1
1 1217 . 18 1 1 A 96 96 GLY N N 96 107.870 111.092 -3.222 1
1 1218 . 18 1 1 A 97 97 THR H H 97 7.968 8.141 -0.173 1
1 1219 . 18 1 1 A 97 97 THR HA H 97 4.294 4.095 0.199 1
1 1224 . 18 1 1 A 97 97 THR C C 97 174.590 176.356 -1.766 1
1 1225 . 18 1 1 A 97 97 THR CA C 97 62.160 64.974 -2.814 1
1 1226 . 18 1 1 A 97 97 THR CB C 97 69.630 68.451 1.179 1
1 1228 . 18 1 1 A 97 97 THR N N 97 112.820 113.674 -0.854 1
1 1229 . 18 1 1 A 98 98 PHE H H 98 7.938 8.149 -0.211 1
1 1230 . 18 1 1 A 98 98 PHE HA H 98 4.552 4.355 0.197 1
1 1235 . 18 1 1 A 98 98 PHE C C 98 175.370 176.327 -0.957 1
1 1236 . 18 1 1 A 98 98 PHE CA C 98 58.150 59.865 -1.715 1
1 1237 . 18 1 1 A 98 98 PHE CB C 98 39.550 37.595 1.955 1
1 1239 . 18 1 1 A 98 98 PHE N N 98 122.400 120.999 1.401 1
1 1240 . 18 1 1 A 99 99 LYS H H 99 7.986 7.358 0.628 1
1 1241 . 18 1 1 A 99 99 LYS HA H 99 4.242 4.419 -0.177 1
1 1250 . 18 1 1 A 99 99 LYS C C 99 175.750 176.071 -0.321 1
1 1251 . 18 1 1 A 99 99 LYS CA C 99 56.030 56.498 -0.468 1
1 1252 . 18 1 1 A 99 99 LYS CB C 99 33.390 34.360 -0.970 1
1 1256 . 18 1 1 A 99 99 LYS N N 99 123.810 113.983 9.827 1
1 1257 . 18 1 1 A 100 100 GLU H H 100 8.247 7.895 0.352 1
1 1258 . 18 1 1 A 100 100 GLU HA H 100 4.202 4.147 0.055 1
1 1263 . 18 1 1 A 100 100 GLU C C 100 176.210 176.526 -0.316 1
1 1264 . 18 1 1 A 100 100 GLU CA C 100 56.270 55.944 0.326 1
1 1265 . 18 1 1 A 100 100 GLU CB C 100 30.550 30.369 0.181 1
1 1267 . 18 1 1 A 100 100 GLU N N 100 122.270 121.216 1.054 1
1 1268 . 18 1 1 A 101 101 ARG H H 101 8.415 8.610 -0.195 1
1 1269 . 18 1 1 A 101 101 ARG HA H 101 4.590 4.341 0.249 1
1 1276 . 18 1 1 A 101 101 ARG CA C 101 53.980 54.647 -0.667 1
1 1277 . 18 1 1 A 101 101 ARG CB C 101 30.070 29.688 0.382 1
1 1280 . 18 1 1 A 101 101 ARG N N 101 123.970 123.756 0.214 1
1 1281 . 18 1 1 A 102 102 PRO HA H 102 4.421 4.411 0.010 1
1 1288 . 18 1 1 A 102 102 PRO C C 102 176.700 175.947 0.753 1
1 1289 . 18 1 1 A 102 102 PRO CA C 102 63.090 64.821 -1.731 1
1 1290 . 18 1 1 A 102 102 PRO CB C 102 32.160 31.939 0.221 1
1 1293 . 18 1 1 A 103 103 LYS H H 103 8.445 7.313 1.132 1
1 1294 . 18 1 1 A 103 103 LYS HA H 103 4.294 4.700 -0.406 1
1 1303 . 18 1 1 A 103 103 LYS C C 103 175.690 174.487 1.203 1
1 1304 . 18 1 1 A 103 103 LYS CA C 103 56.380 54.982 1.398 1
1 1305 . 18 1 1 A 103 103 LYS CB C 103 33.150 35.980 -2.830 1
1 1309 . 18 1 1 A 103 103 LYS N N 103 122.480 110.998 11.482 1
1 1 . 19 1 1 A 2 2 GLU HA H 2 4.372 4.955 -0.583 1
1 6 . 19 1 1 A 2 2 GLU C C 2 175.830 174.949 0.881 1
1 7 . 19 1 1 A 2 2 GLU CA C 2 56.340 54.485 1.855 1
1 8 . 19 1 1 A 2 2 GLU CB C 2 30.550 33.303 -2.753 1
1 10 . 19 1 1 A 3 3 MET H H 3 8.529 8.622 -0.093 1
1 11 . 19 1 1 A 3 3 MET HA H 3 4.534 4.534 0.000 1
1 19 . 19 1 1 A 3 3 MET C C 3 175.350 175.778 -0.428 1
1 20 . 19 1 1 A 3 3 MET CA C 3 54.950 55.604 -0.654 1
1 21 . 19 1 1 A 3 3 MET CB C 3 33.150 33.239 -0.089 1
1 24 . 19 1 1 A 3 3 MET N N 3 122.340 119.595 2.745 1
1 25 . 19 1 1 A 4 4 LEU H H 4 8.265 7.129 1.136 1
1 26 . 19 1 1 A 4 4 LEU HA H 4 4.579 4.490 0.089 1
1 36 . 19 1 1 A 4 4 LEU CA C 4 52.620 50.649 1.971 1
1 37 . 19 1 1 A 4 4 LEU CB C 4 41.780 44.929 -3.149 1
1 41 . 19 1 1 A 4 4 LEU N N 4 125.280 121.524 3.756 1
1 42 . 19 1 1 A 5 5 PRO HA H 5 4.268 4.672 -0.404 1
1 49 . 19 1 1 A 5 5 PRO C C 5 175.390 175.203 0.187 1
1 50 . 19 1 1 A 5 5 PRO CA C 5 62.620 63.096 -0.476 1
1 51 . 19 1 1 A 5 5 PRO CB C 5 32.300 32.111 0.189 1
1 54 . 19 1 1 A 6 6 ASN H H 6 6.913 8.989 -2.076 1
1 55 . 19 1 1 A 6 6 ASN HA H 6 4.460 5.144 -0.684 1
1 60 . 19 1 1 A 6 6 ASN C C 6 172.390 175.180 -2.790 1
1 61 . 19 1 1 A 6 6 ASN CA C 6 52.920 52.761 0.159 1
1 62 . 19 1 1 A 6 6 ASN CB C 6 41.920 41.857 0.063 1
1 63 . 19 1 1 A 6 6 ASN N N 6 117.610 120.672 -3.062 1
1 65 . 19 1 1 A 7 7 GLN H H 7 8.465 8.813 -0.348 1
1 66 . 19 1 1 A 7 7 GLN HA H 7 4.164 4.241 -0.077 1
1 73 . 19 1 1 A 7 7 GLN C C 7 175.020 175.653 -0.633 1
1 74 . 19 1 1 A 7 7 GLN CA C 7 58.100 57.705 0.395 1
1 75 . 19 1 1 A 7 7 GLN CB C 7 29.270 29.219 0.051 1
1 77 . 19 1 1 A 7 7 GLN N N 7 116.430 123.000 -6.570 1
1 79 . 19 1 1 A 8 8 THR H H 8 8.374 7.749 0.625 1
1 80 . 19 1 1 A 8 8 THR HA H 8 5.399 5.451 -0.052 1
1 85 . 19 1 1 A 8 8 THR C C 8 173.700 174.281 -0.581 1
1 86 . 19 1 1 A 8 8 THR CA C 8 62.380 61.474 0.906 1
1 87 . 19 1 1 A 8 8 THR CB C 8 69.100 72.436 -3.336 1
1 89 . 19 1 1 A 8 8 THR N N 8 118.220 112.157 6.063 1
1 90 . 19 1 1 A 9 9 ILE H H 9 8.794 9.295 -0.501 1
1 91 . 19 1 1 A 9 9 ILE HA H 9 5.085 5.485 -0.400 1
1 101 . 19 1 1 A 9 9 ILE C C 9 173.490 173.851 -0.361 1
1 102 . 19 1 1 A 9 9 ILE CA C 9 59.000 59.317 -0.317 1
1 103 . 19 1 1 A 9 9 ILE CB C 9 39.710 42.381 -2.671 1
1 107 . 19 1 1 A 9 9 ILE N N 9 118.250 121.100 -2.850 1
1 108 . 19 1 1 A 10 10 TYR H H 10 9.384 9.212 0.172 1
1 109 . 19 1 1 A 10 10 TYR HA H 10 5.032 4.981 0.051 1
1 116 . 19 1 1 A 10 10 TYR C C 10 173.920 173.437 0.483 1
1 117 . 19 1 1 A 10 10 TYR CA C 10 55.240 55.815 -0.575 1
1 118 . 19 1 1 A 10 10 TYR CB C 10 40.700 41.571 -0.871 1
1 123 . 19 1 1 A 10 10 TYR N N 10 124.310 124.672 -0.362 1
1 124 . 19 1 1 A 11 11 ILE H H 11 9.000 9.078 -0.078 1
1 125 . 19 1 1 A 11 11 ILE HA H 11 4.629 4.946 -0.317 1
1 135 . 19 1 1 A 11 11 ILE C C 11 180.280 174.352 5.928 1
1 136 . 19 1 1 A 11 11 ILE CA C 11 60.050 58.957 1.093 1
1 137 . 19 1 1 A 11 11 ILE CB C 11 40.350 40.606 -0.256 1
1 141 . 19 1 1 A 11 11 ILE N N 11 126.640 126.864 -0.224 1
1 142 . 19 1 1 A 12 12 ASN H H 12 8.844 8.913 -0.069 1
1 143 . 19 1 1 A 12 12 ASN HA H 12 5.267 4.831 0.436 1
1 148 . 19 1 1 A 12 12 ASN C C 12 174.640 174.525 0.115 1
1 149 . 19 1 1 A 12 12 ASN CA C 12 50.860 51.192 -0.332 1
1 150 . 19 1 1 A 12 12 ASN CB C 12 41.400 42.499 -1.099 1
1 151 . 19 1 1 A 12 12 ASN N N 12 123.520 123.233 0.287 1
1 153 . 19 1 1 A 13 13 ASN H H 13 8.689 8.917 -0.228 1
1 154 . 19 1 1 A 13 13 ASN HA H 13 4.456 4.305 0.151 1
1 159 . 19 1 1 A 13 13 ASN C C 13 176.140 175.192 0.948 1
1 160 . 19 1 1 A 13 13 ASN CA C 13 53.920 54.158 -0.238 1
1 161 . 19 1 1 A 13 13 ASN CB C 13 39.360 37.883 1.477 1
1 162 . 19 1 1 A 13 13 ASN N N 13 115.910 119.390 -3.480 1
1 164 . 19 1 1 A 14 14 LEU H H 14 8.221 8.121 0.100 1
1 165 . 19 1 1 A 14 14 LEU HA H 14 4.350 4.245 0.105 1
1 175 . 19 1 1 A 14 14 LEU C C 14 177.880 175.750 2.130 1
1 176 . 19 1 1 A 14 14 LEU CA C 14 54.000 55.291 -1.291 1
1 177 . 19 1 1 A 14 14 LEU CB C 14 42.830 43.141 -0.311 1
1 181 . 19 1 1 A 14 14 LEU N N 14 116.310 119.976 -3.666 1
1 182 . 19 1 1 A 15 15 ASN H H 15 9.226 8.729 0.497 1
1 183 . 19 1 1 A 15 15 ASN HA H 15 4.225 4.828 -0.603 1
1 188 . 19 1 1 A 15 15 ASN C C 15 176.150 176.537 -0.387 1
1 189 . 19 1 1 A 15 15 ASN CA C 15 54.210 53.216 0.994 1
1 190 . 19 1 1 A 15 15 ASN CB C 15 38.050 39.327 -1.277 1
1 191 . 19 1 1 A 15 15 ASN N N 15 120.300 123.347 -3.047 1
1 193 . 19 1 1 A 16 16 GLU H H 16 9.234 8.834 0.400 1
1 194 . 19 1 1 A 16 16 GLU HA H 16 4.110 4.065 0.045 1
1 199 . 19 1 1 A 16 16 GLU C C 16 176.510 178.427 -1.917 1
1 200 . 19 1 1 A 16 16 GLU CA C 16 57.800 58.753 -0.953 1
1 201 . 19 1 1 A 16 16 GLU CB C 16 29.300 29.006 0.294 1
1 203 . 19 1 1 A 16 16 GLU N N 16 128.160 126.129 2.031 1
1 204 . 19 1 1 A 17 17 LYS H H 17 8.421 8.262 0.159 1
1 205 . 19 1 1 A 17 17 LYS HA H 17 4.170 4.130 0.040 1
1 214 . 19 1 1 A 17 17 LYS C C 17 176.700 177.030 -0.330 1
1 215 . 19 1 1 A 17 17 LYS CA C 17 56.750 58.938 -2.188 1
1 216 . 19 1 1 A 17 17 LYS CB C 17 32.370 31.879 0.491 1
1 220 . 19 1 1 A 17 17 LYS N N 17 118.450 117.206 1.244 1
1 221 . 19 1 1 A 18 18 ILE H H 18 6.751 7.318 -0.567 1
1 222 . 19 1 1 A 18 18 ILE HA H 18 3.830 3.888 -0.058 1
1 232 . 19 1 1 A 18 18 ILE C C 18 176.560 176.039 0.521 1
1 233 . 19 1 1 A 18 18 ILE CA C 18 58.640 62.119 -3.479 1
1 234 . 19 1 1 A 18 18 ILE CB C 18 35.940 37.831 -1.891 1
1 238 . 19 1 1 A 18 18 ILE N N 18 118.790 122.159 -3.369 1
1 239 . 19 1 1 A 19 19 LYS H H 19 8.815 9.055 -0.240 1
1 240 . 19 1 1 A 19 19 LYS HA H 19 4.189 4.484 -0.295 1
1 249 . 19 1 1 A 19 19 LYS C C 19 178.340 178.449 -0.109 1
1 250 . 19 1 1 A 19 19 LYS CA C 19 57.250 55.609 1.641 1
1 251 . 19 1 1 A 19 19 LYS CB C 19 32.800 33.197 -0.397 1
1 255 . 19 1 1 A 19 19 LYS N N 19 129.030 125.792 3.238 1
1 256 . 19 1 1 A 20 20 LYS H H 20 9.032 8.985 0.047 1
1 257 . 19 1 1 A 20 20 LYS HA H 20 3.854 3.924 -0.070 1
1 266 . 19 1 1 A 20 20 LYS C C 20 178.390 177.830 0.560 1
1 267 . 19 1 1 A 20 20 LYS CA C 20 59.740 60.301 -0.561 1
1 268 . 19 1 1 A 20 20 LYS CB C 20 31.390 32.053 -0.663 1
1 272 . 19 1 1 A 20 20 LYS N N 20 123.440 124.294 -0.854 1
1 273 . 19 1 1 A 21 21 GLU H H 21 9.341 7.949 1.392 1
1 274 . 19 1 1 A 21 21 GLU HA H 21 4.074 4.086 -0.012 1
1 279 . 19 1 1 A 21 21 GLU C C 21 179.120 179.264 -0.144 1
1 280 . 19 1 1 A 21 21 GLU CA C 21 60.270 59.361 0.909 1
1 281 . 19 1 1 A 21 21 GLU CB C 21 28.840 29.046 -0.206 1
1 283 . 19 1 1 A 21 21 GLU N N 21 117.890 118.232 -0.342 1
1 284 . 19 1 1 A 22 22 GLU H H 22 6.994 8.195 -1.201 1
1 285 . 19 1 1 A 22 22 GLU HA H 22 4.166 4.111 0.055 1
1 290 . 19 1 1 A 22 22 GLU C C 22 178.200 179.107 -0.907 1
1 291 . 19 1 1 A 22 22 GLU CA C 22 58.530 59.041 -0.511 1
1 292 . 19 1 1 A 22 22 GLU CB C 22 29.180 30.041 -0.861 1
1 294 . 19 1 1 A 22 22 GLU N N 22 119.810 120.131 -0.321 1
1 295 . 19 1 1 A 23 23 LEU H H 23 8.462 8.488 -0.026 1
1 296 . 19 1 1 A 23 23 LEU HA H 23 3.981 4.275 -0.294 1
1 306 . 19 1 1 A 23 23 LEU C C 23 178.780 178.472 0.308 1
1 307 . 19 1 1 A 23 23 LEU CA C 23 58.840 58.304 0.536 1
1 308 . 19 1 1 A 23 23 LEU CB C 23 42.420 41.850 0.570 1
1 312 . 19 1 1 A 23 23 LEU N N 23 121.220 121.326 -0.106 1
1 313 . 19 1 1 A 24 24 LYS H H 24 8.411 8.541 -0.130 1
1 314 . 19 1 1 A 24 24 LYS HA H 24 3.808 4.048 -0.240 1
1 323 . 19 1 1 A 24 24 LYS C C 24 178.200 178.845 -0.645 1
1 324 . 19 1 1 A 24 24 LYS CA C 24 61.500 59.736 1.764 1
1 325 . 19 1 1 A 24 24 LYS CB C 24 32.500 32.463 0.037 1
1 329 . 19 1 1 A 24 24 LYS N N 24 116.620 118.870 -2.250 1
1 330 . 19 1 1 A 25 25 LYS H H 25 7.592 8.202 -0.610 1
1 331 . 19 1 1 A 25 25 LYS HA H 25 4.181 4.104 0.077 1
1 340 . 19 1 1 A 25 25 LYS C C 25 180.280 179.496 0.784 1
1 341 . 19 1 1 A 25 25 LYS CA C 25 60.140 59.272 0.868 1
1 342 . 19 1 1 A 25 25 LYS CB C 25 32.690 32.094 0.596 1
1 346 . 19 1 1 A 25 25 LYS N N 25 118.830 119.026 -0.196 1
1 347 . 19 1 1 A 26 26 SER H H 26 8.845 8.332 0.513 1
1 348 . 19 1 1 A 26 26 SER HA H 26 4.570 4.169 0.401 1
1 351 . 19 1 1 A 26 26 SER C C 26 176.880 176.359 0.521 1
1 352 . 19 1 1 A 26 26 SER CA C 26 62.210 62.531 -0.321 1
1 353 . 19 1 1 A 26 26 SER CB C 26 63.320 63.051 0.269 1
1 354 . 19 1 1 A 26 26 SER N N 26 117.880 116.879 1.001 1
1 355 . 19 1 1 A 27 27 LEU H H 27 9.040 8.684 0.356 1
1 356 . 19 1 1 A 27 27 LEU HA H 27 4.190 4.207 -0.017 1
1 366 . 19 1 1 A 27 27 LEU C C 27 179.100 178.908 0.192 1
1 367 . 19 1 1 A 27 27 LEU CA C 27 57.960 57.964 -0.004 1
1 368 . 19 1 1 A 27 27 LEU CB C 27 43.030 41.800 1.230 1
1 372 . 19 1 1 A 27 27 LEU N N 27 122.840 121.235 1.605 1
1 373 . 19 1 1 A 28 28 TYR H H 28 8.535 8.623 -0.088 1
1 374 . 19 1 1 A 28 28 TYR HA H 28 3.826 4.184 -0.358 1
1 379 . 19 1 1 A 28 28 TYR C C 28 178.360 178.059 0.301 1
1 380 . 19 1 1 A 28 28 TYR CA C 28 63.220 61.614 1.606 1
1 381 . 19 1 1 A 28 28 TYR CB C 28 38.320 38.795 -0.475 1
1 384 . 19 1 1 A 28 28 TYR N N 28 121.030 119.220 1.810 1
1 385 . 19 1 1 A 29 29 ALA H H 29 8.009 8.027 -0.018 1
1 386 . 19 1 1 A 29 29 ALA HA H 29 3.364 4.301 -0.937 1
1 390 . 19 1 1 A 29 29 ALA CA C 29 55.420 54.745 0.675 1
1 391 . 19 1 1 A 29 29 ALA CB C 29 18.920 19.282 -0.362 1
1 392 . 19 1 1 A 29 29 ALA N N 29 120.570 121.595 -1.025 1
1 393 . 19 1 1 A 30 30 ILE HA H 30 4.048 4.387 -0.339 1
1 403 . 19 1 1 A 30 30 ILE C C 30 177.270 177.640 -0.370 1
1 404 . 19 1 1 A 30 30 ILE CA C 30 63.380 61.831 1.549 1
1 405 . 19 1 1 A 30 30 ILE CB C 30 38.850 39.494 -0.644 1
1 409 . 19 1 1 A 31 31 PHE H H 31 8.446 8.458 -0.012 1
1 410 . 19 1 1 A 31 31 PHE HA H 31 4.900 4.491 0.409 1
1 415 . 19 1 1 A 31 31 PHE C C 31 177.820 178.003 -0.183 1
1 416 . 19 1 1 A 31 31 PHE CA C 31 62.380 60.328 2.052 1
1 417 . 19 1 1 A 31 31 PHE CB C 31 38.900 38.174 0.726 1
1 418 . 19 1 1 A 31 31 PHE N N 31 115.770 121.713 -5.943 1
1 419 . 19 1 1 A 32 32 SER H H 32 8.392 8.088 0.304 1
1 420 . 19 1 1 A 32 32 SER HA H 32 4.365 4.289 0.076 1
1 423 . 19 1 1 A 32 32 SER C C 32 176.140 176.261 -0.121 1
1 424 . 19 1 1 A 32 32 SER CA C 32 61.680 62.234 -0.554 1
1 425 . 19 1 1 A 32 32 SER CB C 32 62.460 62.960 -0.500 1
1 426 . 19 1 1 A 32 32 SER N N 32 116.890 115.776 1.114 1
1 427 . 19 1 1 A 33 33 GLN H H 33 7.310 7.763 -0.453 1
1 428 . 19 1 1 A 33 33 GLN HA H 33 4.059 3.894 0.165 1
1 435 . 19 1 1 A 33 33 GLN C C 33 176.330 176.066 0.264 1
1 436 . 19 1 1 A 33 33 GLN CA C 33 57.220 57.265 -0.045 1
1 437 . 19 1 1 A 33 33 GLN CB C 33 28.040 27.768 0.272 1
1 439 . 19 1 1 A 33 33 GLN N N 33 117.530 119.468 -1.938 1
1 441 . 19 1 1 A 34 34 PHE H H 34 7.626 7.802 -0.176 1
1 442 . 19 1 1 A 34 34 PHE HA H 34 4.435 4.668 -0.233 1
1 447 . 19 1 1 A 34 34 PHE C C 34 175.590 175.854 -0.264 1
1 448 . 19 1 1 A 34 34 PHE CA C 34 59.410 58.736 0.674 1
1 449 . 19 1 1 A 34 34 PHE CB C 34 39.380 41.295 -1.915 1
1 452 . 19 1 1 A 34 34 PHE N N 34 116.090 115.397 0.693 1
1 453 . 19 1 1 A 35 35 GLY H H 35 7.595 7.869 -0.274 1
1 454 . 19 1 1 A 35 35 GLY HA2 H 35 3.960 4.074 -0.114 1
1 455 . 19 1 1 A 35 35 GLY HA3 H 35 4.612 4.155 0.457 1
1 456 . 19 1 1 A 35 35 GLY C C 35 170.890 173.097 -2.207 1
1 457 . 19 1 1 A 35 35 GLY CA C 35 44.160 45.132 -0.972 1
1 458 . 19 1 1 A 35 35 GLY N N 35 107.470 103.858 3.612 1
1 459 . 19 1 1 A 36 36 GLN H H 36 8.404 8.746 -0.342 1
1 460 . 19 1 1 A 36 36 GLN HA H 36 4.275 4.301 -0.026 1
1 467 . 19 1 1 A 36 36 GLN C C 36 176.650 176.499 0.151 1
1 468 . 19 1 1 A 36 36 GLN CA C 36 57.180 56.576 0.604 1
1 469 . 19 1 1 A 36 36 GLN CB C 36 29.360 29.318 0.042 1
1 471 . 19 1 1 A 36 36 GLN N N 36 116.620 124.221 -7.601 1
1 473 . 19 1 1 A 37 37 ILE H H 37 9.009 8.702 0.307 1
1 474 . 19 1 1 A 37 37 ILE HA H 37 4.068 3.969 0.099 1
1 484 . 19 1 1 A 37 37 ILE C C 37 176.530 175.918 0.612 1
1 485 . 19 1 1 A 37 37 ILE CA C 37 61.270 62.310 -1.040 1
1 486 . 19 1 1 A 37 37 ILE CB C 37 40.600 38.111 2.489 1
1 490 . 19 1 1 A 37 37 ILE N N 37 129.370 126.965 2.405 1
1 491 . 19 1 1 A 38 38 LEU H H 38 9.472 9.214 0.258 1
1 492 . 19 1 1 A 38 38 LEU HA H 38 4.291 4.545 -0.254 1
1 502 . 19 1 1 A 38 38 LEU C C 38 176.900 175.413 1.487 1
1 503 . 19 1 1 A 38 38 LEU CA C 38 56.520 55.902 0.618 1
1 504 . 19 1 1 A 38 38 LEU CB C 38 42.030 45.165 -3.135 1
1 508 . 19 1 1 A 38 38 LEU N N 38 128.180 128.174 0.006 1
1 509 . 19 1 1 A 39 39 ASP H H 39 7.493 7.630 -0.137 1
1 510 . 19 1 1 A 39 39 ASP HA H 39 4.715 4.935 -0.220 1
1 513 . 19 1 1 A 39 39 ASP C C 39 173.560 173.745 -0.185 1
1 514 . 19 1 1 A 39 39 ASP CA C 39 53.510 53.458 0.052 1
1 515 . 19 1 1 A 39 39 ASP CB C 39 44.160 43.874 0.286 1
1 516 . 19 1 1 A 39 39 ASP N N 39 114.640 117.282 -2.642 1
1 517 . 19 1 1 A 40 40 ILE H H 40 8.537 8.522 0.015 1
1 518 . 19 1 1 A 40 40 ILE HA H 40 4.722 4.803 -0.081 1
1 528 . 19 1 1 A 40 40 ILE C C 40 174.090 174.908 -0.818 1
1 529 . 19 1 1 A 40 40 ILE CA C 40 61.060 59.867 1.193 1
1 530 . 19 1 1 A 40 40 ILE CB C 40 41.220 42.408 -1.188 1
1 534 . 19 1 1 A 40 40 ILE N N 40 119.670 121.817 -2.147 1
1 535 . 19 1 1 A 41 41 VAL H H 41 8.807 8.841 -0.034 1
1 536 . 19 1 1 A 41 41 VAL HA H 41 4.195 4.846 -0.651 1
1 544 . 19 1 1 A 41 41 VAL C C 41 174.470 174.644 -0.174 1
1 545 . 19 1 1 A 41 41 VAL CA C 41 61.020 61.514 -0.494 1
1 546 . 19 1 1 A 41 41 VAL CB C 41 34.160 34.118 0.042 1
1 549 . 19 1 1 A 41 41 VAL N N 41 127.000 125.973 1.027 1
1 550 . 19 1 1 A 42 42 ALA H H 42 8.708 9.003 -0.295 1
1 551 . 19 1 1 A 42 42 ALA HA H 42 4.796 5.150 -0.354 1
1 555 . 19 1 1 A 42 42 ALA C C 42 175.210 175.711 -0.501 1
1 556 . 19 1 1 A 42 42 ALA CA C 42 51.430 51.173 0.257 1
1 557 . 19 1 1 A 42 42 ALA CB C 42 19.780 24.218 -4.438 1
1 558 . 19 1 1 A 42 42 ALA N N 42 130.100 128.210 1.890 1
1 559 . 19 1 1 A 43 43 LEU H H 43 8.224 8.794 -0.570 1
1 560 . 19 1 1 A 43 43 LEU HA H 43 4.575 5.050 -0.475 1
1 570 . 19 1 1 A 43 43 LEU CA C 43 54.620 53.376 1.244 1
1 571 . 19 1 1 A 43 43 LEU CB C 43 43.640 44.408 -0.768 1
1 575 . 19 1 1 A 43 43 LEU N N 43 122.270 120.318 1.952 1
1 576 . 19 1 1 A 44 44 LYS HA H 44 4.570 4.061 0.509 1
1 585 . 19 1 1 A 44 44 LYS CA C 44 56.000 58.803 -2.803 1
1 586 . 19 1 1 A 44 44 LYS CB C 44 32.940 32.648 0.292 1
1 590 . 19 1 1 A 45 45 THR H H 45 7.706 7.550 0.156 1
1 591 . 19 1 1 A 45 45 THR HA H 45 4.494 4.243 0.251 1
1 596 . 19 1 1 A 45 45 THR CA C 45 60.500 61.849 -1.349 1
1 597 . 19 1 1 A 45 45 THR CB C 45 70.450 69.946 0.504 1
1 599 . 19 1 1 A 45 45 THR N N 45 113.650 110.581 3.069 1
1 600 . 19 1 1 A 46 46 LEU HA H 46 4.142 3.978 0.164 1
1 610 . 19 1 1 A 46 46 LEU C C 46 179.030 177.811 1.219 1
1 611 . 19 1 1 A 46 46 LEU CA C 46 57.630 58.784 -1.154 1
1 612 . 19 1 1 A 46 46 LEU CB C 46 42.020 41.709 0.311 1
1 616 . 19 1 1 A 47 47 LYS H H 47 8.325 8.040 0.285 1
1 617 . 19 1 1 A 47 47 LYS HA H 47 4.139 4.099 0.040 1
1 626 . 19 1 1 A 47 47 LYS C C 47 176.700 177.255 -0.555 1
1 627 . 19 1 1 A 47 47 LYS CA C 47 57.800 58.560 -0.760 1
1 628 . 19 1 1 A 47 47 LYS CB C 47 32.440 32.333 0.107 1
1 632 . 19 1 1 A 47 47 LYS N N 47 116.870 119.455 -2.585 1
1 633 . 19 1 1 A 48 48 MET H H 48 7.649 7.808 -0.159 1
1 634 . 19 1 1 A 48 48 MET HA H 48 4.581 4.906 -0.325 1
1 642 . 19 1 1 A 48 48 MET C C 48 175.550 176.312 -0.762 1
1 643 . 19 1 1 A 48 48 MET CA C 48 54.970 55.179 -0.209 1
1 644 . 19 1 1 A 48 48 MET CB C 48 32.770 33.811 -1.041 1
1 647 . 19 1 1 A 48 48 MET N N 48 116.090 116.202 -0.112 1
1 648 . 19 1 1 A 49 49 ARG H H 49 7.653 7.732 -0.079 1
1 649 . 19 1 1 A 49 49 ARG HA H 49 4.377 4.696 -0.319 1
1 656 . 19 1 1 A 49 49 ARG C C 49 177.450 178.146 -0.696 1
1 657 . 19 1 1 A 49 49 ARG CA C 49 57.250 56.491 0.759 1
1 658 . 19 1 1 A 49 49 ARG CB C 49 30.400 32.404 -2.004 1
1 661 . 19 1 1 A 49 49 ARG N N 49 119.580 117.374 2.206 1
1 662 . 19 1 1 A 50 50 GLY H H 50 9.177 7.959 1.218 1
1 663 . 19 1 1 A 50 50 GLY HA2 H 50 3.960 3.980 -0.020 1
1 664 . 19 1 1 A 50 50 GLY HA3 H 50 4.107 3.983 0.124 1
1 665 . 19 1 1 A 50 50 GLY C C 50 172.960 173.905 -0.945 1
1 666 . 19 1 1 A 50 50 GLY CA C 50 46.140 45.484 0.656 1
1 667 . 19 1 1 A 50 50 GLY N N 50 111.640 108.006 3.634 1
1 668 . 19 1 1 A 51 51 GLN H H 51 7.853 7.772 0.081 1
1 669 . 19 1 1 A 51 51 GLN HA H 51 5.516 4.716 0.800 1
1 675 . 19 1 1 A 51 51 GLN C C 51 174.800 173.867 0.933 1
1 676 . 19 1 1 A 51 51 GLN CA C 51 54.160 54.281 -0.121 1
1 677 . 19 1 1 A 51 51 GLN CB C 51 34.330 31.964 2.366 1
1 679 . 19 1 1 A 51 51 GLN N N 51 117.000 116.535 0.465 1
1 681 . 19 1 1 A 52 52 ALA H H 52 8.765 8.251 0.514 1
1 682 . 19 1 1 A 52 52 ALA HA H 52 5.098 4.961 0.137 1
1 686 . 19 1 1 A 52 52 ALA C C 52 174.820 175.087 -0.267 1
1 687 . 19 1 1 A 52 52 ALA CA C 52 51.170 51.432 -0.262 1
1 688 . 19 1 1 A 52 52 ALA CB C 52 23.350 23.724 -0.374 1
1 689 . 19 1 1 A 52 52 ALA N N 52 121.050 120.927 0.123 1
1 690 . 19 1 1 A 53 53 PHE H H 53 8.840 8.834 0.006 1
1 691 . 19 1 1 A 53 53 PHE HA H 53 5.615 5.469 0.146 1
1 696 . 19 1 1 A 53 53 PHE C C 53 174.870 174.448 0.422 1
1 697 . 19 1 1 A 53 53 PHE CA C 53 55.770 56.279 -0.509 1
1 698 . 19 1 1 A 53 53 PHE CB C 53 41.530 43.681 -2.151 1
1 701 . 19 1 1 A 53 53 PHE N N 53 115.860 115.700 0.160 1
1 702 . 19 1 1 A 54 54 VAL H H 54 8.766 8.645 0.121 1
1 703 . 19 1 1 A 54 54 VAL HA H 54 4.169 4.611 -0.442 1
1 711 . 19 1 1 A 54 54 VAL C C 54 173.330 172.963 0.367 1
1 712 . 19 1 1 A 54 54 VAL CA C 54 61.920 60.060 1.860 1
1 713 . 19 1 1 A 54 54 VAL CB C 54 32.860 35.254 -2.394 1
1 716 . 19 1 1 A 54 54 VAL N N 54 121.920 118.254 3.666 1
1 717 . 19 1 1 A 55 55 ILE H H 55 8.319 8.951 -0.632 1
1 718 . 19 1 1 A 55 55 ILE HA H 55 4.512 5.325 -0.813 1
1 728 . 19 1 1 A 55 55 ILE C C 55 173.920 174.709 -0.789 1
1 729 . 19 1 1 A 55 55 ILE CA C 55 60.880 59.855 1.025 1
1 730 . 19 1 1 A 55 55 ILE CB C 55 39.130 40.600 -1.470 1
1 734 . 19 1 1 A 55 55 ILE N N 55 126.350 126.870 -0.520 1
1 735 . 19 1 1 A 56 56 PHE H H 56 9.009 8.850 0.159 1
1 736 . 19 1 1 A 56 56 PHE HA H 56 4.889 4.923 -0.034 1
1 741 . 19 1 1 A 56 56 PHE C C 56 175.180 176.280 -1.100 1
1 742 . 19 1 1 A 56 56 PHE CA C 56 59.030 56.989 2.041 1
1 743 . 19 1 1 A 56 56 PHE CB C 56 40.320 43.255 -2.935 1
1 744 . 19 1 1 A 56 56 PHE N N 56 126.440 124.999 1.441 1
1 745 . 19 1 1 A 57 57 LYS H H 57 8.191 8.577 -0.386 1
1 746 . 19 1 1 A 57 57 LYS HA H 57 3.969 4.112 -0.143 1
1 755 . 19 1 1 A 57 57 LYS C C 57 176.140 176.965 -0.825 1
1 756 . 19 1 1 A 57 57 LYS CA C 57 59.290 58.821 0.469 1
1 757 . 19 1 1 A 57 57 LYS CB C 57 33.850 32.665 1.185 1
1 761 . 19 1 1 A 57 57 LYS N N 57 119.130 121.222 -2.092 1
1 762 . 19 1 1 A 58 58 GLU H H 58 8.614 8.054 0.560 1
1 763 . 19 1 1 A 58 58 GLU HA H 58 4.850 4.705 0.145 1
1 768 . 19 1 1 A 58 58 GLU C C 58 177.130 176.558 0.572 1
1 769 . 19 1 1 A 58 58 GLU CA C 58 54.130 55.340 -1.210 1
1 770 . 19 1 1 A 58 58 GLU CB C 58 32.230 33.640 -1.410 1
1 772 . 19 1 1 A 58 58 GLU N N 58 114.350 117.053 -2.703 1
1 773 . 19 1 1 A 59 59 ILE H H 59 8.825 8.700 0.125 1
1 774 . 19 1 1 A 59 59 ILE HA H 59 3.499 3.833 -0.334 1
1 784 . 19 1 1 A 59 59 ILE C C 59 177.650 178.170 -0.520 1
1 785 . 19 1 1 A 59 59 ILE CA C 59 65.660 64.292 1.368 1
1 786 . 19 1 1 A 59 59 ILE CB C 59 38.040 37.680 0.360 1
1 790 . 19 1 1 A 59 59 ILE N N 59 122.940 122.768 0.172 1
1 791 . 19 1 1 A 60 60 GLY H H 60 8.875 8.459 0.416 1
1 792 . 19 1 1 A 60 60 GLY HA2 H 60 3.780 3.789 -0.009 1
1 793 . 19 1 1 A 60 60 GLY HA3 H 60 3.925 3.805 0.120 1
1 794 . 19 1 1 A 60 60 GLY C C 60 176.700 176.404 0.296 1
1 795 . 19 1 1 A 60 60 GLY CA C 60 47.070 47.505 -0.435 1
1 796 . 19 1 1 A 60 60 GLY N N 60 106.980 111.082 -4.102 1
1 797 . 19 1 1 A 61 61 SER H H 61 6.973 7.969 -0.996 1
1 798 . 19 1 1 A 61 61 SER HA H 61 4.141 4.254 -0.113 1
1 801 . 19 1 1 A 61 61 SER C C 61 174.060 176.117 -2.057 1
1 802 . 19 1 1 A 61 61 SER CA C 61 61.870 62.595 -0.725 1
1 803 . 19 1 1 A 61 61 SER CB C 61 63.150 62.787 0.363 1
1 804 . 19 1 1 A 61 61 SER N N 61 116.200 119.380 -3.180 1
1 805 . 19 1 1 A 62 62 ALA H H 62 6.786 8.226 -1.440 1
1 806 . 19 1 1 A 62 62 ALA HA H 62 3.370 3.018 0.352 1
1 810 . 19 1 1 A 62 62 ALA C C 62 178.960 179.175 -0.215 1
1 811 . 19 1 1 A 62 62 ALA CA C 62 55.370 54.858 0.512 1
1 812 . 19 1 1 A 62 62 ALA CB C 62 19.030 18.168 0.862 1
1 813 . 19 1 1 A 62 62 ALA N N 62 123.660 123.711 -0.051 1
1 814 . 19 1 1 A 63 63 SER H H 63 8.379 8.037 0.342 1
1 815 . 19 1 1 A 63 63 SER HA H 63 4.551 4.113 0.438 1
1 818 . 19 1 1 A 63 63 SER C C 63 177.040 175.979 1.061 1
1 819 . 19 1 1 A 63 63 SER CA C 63 61.000 61.749 -0.749 1
1 820 . 19 1 1 A 63 63 SER CB C 63 63.090 62.847 0.243 1
1 821 . 19 1 1 A 63 63 SER N N 63 111.560 112.831 -1.271 1
1 822 . 19 1 1 A 64 64 ASN H H 64 7.737 8.432 -0.695 1
1 823 . 19 1 1 A 64 64 ASN HA H 64 4.434 4.382 0.052 1
1 828 . 19 1 1 A 64 64 ASN C C 64 177.490 177.114 0.376 1
1 829 . 19 1 1 A 64 64 ASN CA C 64 55.410 56.309 -0.899 1
1 830 . 19 1 1 A 64 64 ASN CB C 64 37.930 38.767 -0.837 1
1 831 . 19 1 1 A 64 64 ASN N N 64 120.200 120.166 0.034 1
1 833 . 19 1 1 A 65 65 ALA H H 65 8.085 7.953 0.132 1
1 834 . 19 1 1 A 65 65 ALA HA H 65 4.864 3.976 0.888 1
1 838 . 19 1 1 A 65 65 ALA C C 65 178.180 179.274 -1.094 1
1 839 . 19 1 1 A 65 65 ALA CA C 65 54.700 55.012 -0.312 1
1 840 . 19 1 1 A 65 65 ALA CB C 65 19.950 18.270 1.680 1
1 841 . 19 1 1 A 65 65 ALA N N 65 125.150 121.808 3.342 1
1 842 . 19 1 1 A 66 66 LEU H H 66 8.083 8.039 0.044 1
1 843 . 19 1 1 A 66 66 LEU HA H 66 3.560 4.070 -0.510 1
1 853 . 19 1 1 A 66 66 LEU C C 66 177.650 178.525 -0.875 1
1 854 . 19 1 1 A 66 66 LEU CA C 66 59.540 58.312 1.228 1
1 855 . 19 1 1 A 66 66 LEU CB C 66 42.020 41.647 0.373 1
1 859 . 19 1 1 A 66 66 LEU N N 66 118.670 119.689 -1.019 1
1 860 . 19 1 1 A 67 67 ARG H H 67 7.620 8.364 -0.744 1
1 861 . 19 1 1 A 67 67 ARG HA H 67 3.939 3.762 0.177 1
1 868 . 19 1 1 A 67 67 ARG C C 67 178.960 178.612 0.348 1
1 869 . 19 1 1 A 67 67 ARG CA C 67 58.860 59.479 -0.619 1
1 870 . 19 1 1 A 67 67 ARG CB C 67 30.570 29.755 0.815 1
1 873 . 19 1 1 A 67 67 ARG N N 67 114.570 119.180 -4.610 1
1 874 . 19 1 1 A 68 68 THR H H 68 7.850 7.930 -0.080 1
1 875 . 19 1 1 A 68 68 THR HA H 68 4.040 3.678 0.362 1
1 880 . 19 1 1 A 68 68 THR C C 68 175.960 175.885 0.075 1
1 881 . 19 1 1 A 68 68 THR CA C 68 66.160 66.473 -0.313 1
1 882 . 19 1 1 A 68 68 THR CB C 68 69.260 67.709 1.551 1
1 884 . 19 1 1 A 68 68 THR N N 68 112.630 116.701 -4.071 1
1 885 . 19 1 1 A 69 69 MET H H 69 7.934 7.849 0.085 1
1 886 . 19 1 1 A 69 69 MET HA H 69 4.734 4.267 0.467 1
1 894 . 19 1 1 A 69 69 MET C C 69 175.820 175.906 -0.086 1
1 895 . 19 1 1 A 69 69 MET CA C 69 53.560 54.851 -1.291 1
1 896 . 19 1 1 A 69 69 MET CB C 69 29.730 31.278 -1.548 1
1 899 . 19 1 1 A 69 69 MET N N 69 115.080 116.685 -1.605 1
1 900 . 19 1 1 A 70 70 GLN H H 70 7.003 7.529 -0.526 1
1 901 . 19 1 1 A 70 70 GLN HA H 70 4.043 3.929 0.114 1
1 908 . 19 1 1 A 70 70 GLN C C 70 178.020 177.307 0.713 1
1 909 . 19 1 1 A 70 70 GLN CA C 70 57.710 58.041 -0.331 1
1 910 . 19 1 1 A 70 70 GLN CB C 70 30.080 28.268 1.812 1
1 912 . 19 1 1 A 70 70 GLN N N 70 120.730 120.391 0.339 1
1 914 . 19 1 1 A 71 71 GLY H H 71 8.693 8.691 0.002 1
1 915 . 19 1 1 A 71 71 GLY HA2 H 71 4.230 3.908 0.322 1
1 916 . 19 1 1 A 71 71 GLY HA3 H 71 3.817 3.913 -0.096 1
1 917 . 19 1 1 A 71 71 GLY C C 71 173.290 174.219 -0.929 1
1 918 . 19 1 1 A 71 71 GLY CA C 71 45.960 45.790 0.170 1
1 919 . 19 1 1 A 71 71 GLY N N 71 118.750 114.776 3.974 1
1 920 . 19 1 1 A 72 72 PHE H H 72 8.426 8.191 0.235 1
1 921 . 19 1 1 A 72 72 PHE HA H 72 4.641 4.538 0.103 1
1 926 . 19 1 1 A 72 72 PHE CA C 72 56.830 57.072 -0.242 1
1 927 . 19 1 1 A 72 72 PHE CB C 72 40.650 40.003 0.647 1
1 928 . 19 1 1 A 72 72 PHE N N 72 124.640 122.025 2.615 1
1 929 . 19 1 1 A 73 73 PRO HA H 73 4.052 4.738 -0.686 1
1 934 . 19 1 1 A 73 73 PRO C C 73 174.500 176.472 -1.972 1
1 935 . 19 1 1 A 73 73 PRO CA C 73 62.460 62.135 0.325 1
1 936 . 19 1 1 A 73 73 PRO CB C 73 30.700 28.919 1.781 1
1 939 . 19 1 1 A 74 74 PHE H H 74 8.382 8.634 -0.252 1
1 940 . 19 1 1 A 74 74 PHE HA H 74 4.235 4.412 -0.177 1
1 945 . 19 1 1 A 74 74 PHE C C 74 175.590 174.702 0.888 1
1 946 . 19 1 1 A 74 74 PHE CA C 74 56.440 61.776 -5.336 1
1 947 . 19 1 1 A 74 74 PHE CB C 74 42.540 39.948 2.592 1
1 950 . 19 1 1 A 74 74 PHE N N 74 128.220 123.590 4.630 1
1 951 . 19 1 1 A 75 75 TYR H H 75 9.185 7.954 1.231 1
1 952 . 19 1 1 A 75 75 TYR HA H 75 3.764 4.943 -1.179 1
1 957 . 19 1 1 A 75 75 TYR C C 75 175.210 175.469 -0.259 1
1 958 . 19 1 1 A 75 75 TYR CA C 75 60.780 56.937 3.843 1
1 959 . 19 1 1 A 75 75 TYR CB C 75 36.110 42.506 -6.396 1
1 962 . 19 1 1 A 75 75 TYR N N 75 128.090 115.414 12.676 1
1 963 . 19 1 1 A 76 76 ASP H H 76 8.306 9.057 -0.751 1
1 964 . 19 1 1 A 76 76 ASP HA H 76 4.075 4.714 -0.639 1
1 967 . 19 1 1 A 76 76 ASP C C 76 175.390 175.565 -0.175 1
1 968 . 19 1 1 A 76 76 ASP CA C 76 56.360 54.851 1.509 1
1 969 . 19 1 1 A 76 76 ASP CB C 76 40.510 40.724 -0.214 1
1 970 . 19 1 1 A 76 76 ASP N N 76 107.370 121.996 -14.626 1
1 971 . 19 1 1 A 77 77 LYS H H 77 7.687 7.729 -0.042 1
1 972 . 19 1 1 A 77 77 LYS HA H 77 5.020 4.788 0.232 1
1 981 . 19 1 1 A 77 77 LYS CA C 77 53.450 52.787 0.663 1
1 982 . 19 1 1 A 77 77 LYS CB C 77 34.800 34.018 0.782 1
1 986 . 19 1 1 A 77 77 LYS N N 77 118.880 119.199 -0.319 1
1 987 . 19 1 1 A 78 78 PRO HA H 78 4.240 4.512 -0.272 1
1 994 . 19 1 1 A 78 78 PRO C C 78 177.470 177.097 0.373 1
1 995 . 19 1 1 A 78 78 PRO CA C 78 62.310 62.844 -0.534 1
1 996 . 19 1 1 A 78 78 PRO CB C 78 31.690 32.365 -0.675 1
1 999 . 19 1 1 A 79 79 MET H H 79 8.696 8.556 0.140 1
1 1000 . 19 1 1 A 79 79 MET HA H 79 4.289 4.598 -0.309 1
1 1008 . 19 1 1 A 79 79 MET C C 79 175.960 176.105 -0.145 1
1 1009 . 19 1 1 A 79 79 MET CA C 79 58.600 56.582 2.018 1
1 1010 . 19 1 1 A 79 79 MET CB C 79 35.200 33.429 1.771 1
1 1013 . 19 1 1 A 79 79 MET N N 79 126.540 121.967 4.573 1
1 1014 . 19 1 1 A 80 80 GLN H H 80 7.779 8.475 -0.696 1
1 1015 . 19 1 1 A 80 80 GLN HA H 80 4.855 5.303 -0.448 1
1 1022 . 19 1 1 A 80 80 GLN C C 80 174.820 174.682 0.138 1
1 1023 . 19 1 1 A 80 80 GLN CA C 80 54.550 54.230 0.320 1
1 1024 . 19 1 1 A 80 80 GLN CB C 80 29.320 31.925 -2.605 1
1 1026 . 19 1 1 A 80 80 GLN N N 80 122.810 119.644 3.166 1
1 1028 . 19 1 1 A 81 81 ILE H H 81 9.682 9.048 0.634 1
1 1029 . 19 1 1 A 81 81 ILE HA H 81 5.010 4.936 0.074 1
1 1039 . 19 1 1 A 81 81 ILE C C 81 174.710 174.297 0.413 1
1 1040 . 19 1 1 A 81 81 ILE CA C 81 60.900 59.977 0.923 1
1 1041 . 19 1 1 A 81 81 ILE CB C 81 40.120 42.276 -2.156 1
1 1045 . 19 1 1 A 81 81 ILE N N 81 126.070 123.582 2.488 1
1 1046 . 19 1 1 A 82 82 ALA H H 82 9.039 8.579 0.460 1
1 1047 . 19 1 1 A 82 82 ALA HA H 82 4.620 5.209 -0.589 1
1 1051 . 19 1 1 A 82 82 ALA C C 82 176.700 175.303 1.397 1
1 1052 . 19 1 1 A 82 82 ALA CA C 82 50.890 50.740 0.150 1
1 1053 . 19 1 1 A 82 82 ALA CB C 82 23.420 23.695 -0.275 1
1 1054 . 19 1 1 A 82 82 ALA N N 82 130.310 125.767 4.543 1
1 1055 . 19 1 1 A 83 83 TYR H H 83 8.411 8.762 -0.351 1
1 1056 . 19 1 1 A 83 83 TYR HA H 83 4.905 4.828 0.077 1
1 1061 . 19 1 1 A 83 83 TYR C C 83 176.900 176.051 0.849 1
1 1062 . 19 1 1 A 83 83 TYR CA C 83 59.280 57.208 2.072 1
1 1063 . 19 1 1 A 83 83 TYR CB C 83 39.350 39.731 -0.381 1
1 1065 . 19 1 1 A 83 83 TYR N N 83 118.580 118.552 0.028 1
1 1066 . 19 1 1 A 84 84 SER H H 84 8.452 8.918 -0.466 1
1 1067 . 19 1 1 A 84 84 SER HA H 84 4.248 4.558 -0.310 1
1 1070 . 19 1 1 A 84 84 SER C C 84 174.220 175.003 -0.783 1
1 1071 . 19 1 1 A 84 84 SER CA C 84 58.560 58.971 -0.411 1
1 1072 . 19 1 1 A 84 84 SER CB C 84 64.100 64.099 0.001 1
1 1073 . 19 1 1 A 84 84 SER N N 84 115.040 119.528 -4.488 1
1 1074 . 19 1 1 A 85 85 LYS H H 85 8.443 8.502 -0.059 1
1 1075 . 19 1 1 A 85 85 LYS HA H 85 4.275 4.646 -0.371 1
1 1080 . 19 1 1 A 85 85 LYS C C 85 177.080 176.750 0.330 1
1 1081 . 19 1 1 A 85 85 LYS CA C 85 56.960 56.727 0.233 1
1 1082 . 19 1 1 A 85 85 LYS CB C 85 33.150 34.957 -1.807 1
1 1086 . 19 1 1 A 85 85 LYS N N 85 123.610 119.681 3.929 1
1 1087 . 19 1 1 A 86 86 SER H H 86 8.204 7.657 0.547 1
1 1088 . 19 1 1 A 86 86 SER HA H 86 4.335 4.276 0.059 1
1 1090 . 19 1 1 A 86 86 SER C C 86 174.080 174.381 -0.301 1
1 1091 . 19 1 1 A 86 86 SER CA C 86 58.400 60.660 -2.260 1
1 1092 . 19 1 1 A 86 86 SER CB C 86 63.750 63.408 0.342 1
1 1093 . 19 1 1 A 86 86 SER N N 86 115.780 117.608 -1.828 1
1 1094 . 19 1 1 A 87 87 ASP H H 87 8.435 9.120 -0.685 1
1 1095 . 19 1 1 A 87 87 ASP HA H 87 4.578 4.238 0.340 1
1 1098 . 19 1 1 A 87 87 ASP C C 87 176.630 177.797 -1.167 1
1 1099 . 19 1 1 A 87 87 ASP CA C 87 54.260 58.021 -3.761 1
1 1100 . 19 1 1 A 87 87 ASP CB C 87 40.780 41.403 -0.623 1
1 1101 . 19 1 1 A 87 87 ASP N N 87 121.910 127.536 -5.626 1
1 1102 . 19 1 1 A 88 88 SER H H 88 8.061 8.087 -0.026 1
1 1103 . 19 1 1 A 88 88 SER HA H 88 4.328 4.112 0.216 1
1 1106 . 19 1 1 A 88 88 SER C C 88 174.840 175.751 -0.911 1
1 1107 . 19 1 1 A 88 88 SER CA C 88 58.800 61.576 -2.776 1
1 1108 . 19 1 1 A 88 88 SER CB C 88 63.870 62.845 1.025 1
1 1109 . 19 1 1 A 88 88 SER N N 88 116.440 115.976 0.464 1
1 1110 . 19 1 1 A 89 89 ASP H H 89 8.556 7.811 0.745 1
1 1111 . 19 1 1 A 89 89 ASP HA H 89 4.460 4.236 0.224 1
1 1114 . 19 1 1 A 89 89 ASP C C 89 177.450 178.091 -0.641 1
1 1115 . 19 1 1 A 89 89 ASP CA C 89 56.110 57.111 -1.001 1
1 1116 . 19 1 1 A 89 89 ASP CB C 89 40.500 40.867 -0.367 1
1 1117 . 19 1 1 A 89 89 ASP N N 89 123.080 121.260 1.820 1
1 1118 . 19 1 1 A 90 90 ILE H H 90 7.756 8.018 -0.262 1
1 1119 . 19 1 1 A 90 90 ILE HA H 90 3.829 3.724 0.105 1
1 1129 . 19 1 1 A 90 90 ILE C C 90 177.060 177.990 -0.930 1
1 1130 . 19 1 1 A 90 90 ILE CA C 90 63.070 64.347 -1.277 1
1 1131 . 19 1 1 A 90 90 ILE CB C 90 38.290 37.507 0.783 1
1 1135 . 19 1 1 A 90 90 ILE N N 90 119.250 118.183 1.067 1
1 1136 . 19 1 1 A 91 91 VAL H H 91 7.459 8.382 -0.923 1
1 1137 . 19 1 1 A 91 91 VAL HA H 91 3.613 3.519 0.094 1
1 1145 . 19 1 1 A 91 91 VAL C C 91 177.080 178.066 -0.986 1
1 1146 . 19 1 1 A 91 91 VAL CA C 91 65.250 66.525 -1.275 1
1 1147 . 19 1 1 A 91 91 VAL CB C 91 31.970 31.519 0.451 1
1 1150 . 19 1 1 A 91 91 VAL N N 91 121.040 122.143 -1.103 1
1 1151 . 19 1 1 A 92 92 ALA H H 92 8.076 8.127 -0.051 1
1 1152 . 19 1 1 A 92 92 ALA HA H 92 4.098 3.806 0.292 1
1 1156 . 19 1 1 A 92 92 ALA C C 92 179.510 179.754 -0.244 1
1 1157 . 19 1 1 A 92 92 ALA CA C 92 54.180 55.561 -1.381 1
1 1158 . 19 1 1 A 92 92 ALA CB C 92 18.660 18.201 0.459 1
1 1159 . 19 1 1 A 92 92 ALA N N 92 122.880 122.001 0.879 1
1 1160 . 19 1 1 A 93 93 LYS H H 93 7.946 8.085 -0.139 1
1 1161 . 19 1 1 A 93 93 LYS HA H 93 4.136 3.867 0.269 1
1 1170 . 19 1 1 A 93 93 LYS C C 93 178.300 179.677 -1.377 1
1 1171 . 19 1 1 A 93 93 LYS CA C 93 58.000 59.083 -1.083 1
1 1172 . 19 1 1 A 93 93 LYS CB C 93 32.550 32.251 0.299 1
1 1176 . 19 1 1 A 93 93 LYS N N 93 118.800 117.167 1.633 1
1 1177 . 19 1 1 A 94 94 ILE H H 94 7.894 8.048 -0.154 1
1 1178 . 19 1 1 A 94 94 ILE HA H 94 3.906 3.920 -0.014 1
1 1188 . 19 1 1 A 94 94 ILE C C 94 177.720 176.483 1.237 1
1 1189 . 19 1 1 A 94 94 ILE CA C 94 63.200 64.124 -0.924 1
1 1190 . 19 1 1 A 94 94 ILE CB C 94 38.330 37.392 0.938 1
1 1194 . 19 1 1 A 94 94 ILE N N 94 120.760 115.610 5.150 1
1 1195 . 19 1 1 A 95 95 LYS H H 95 8.310 7.973 0.337 1
1 1196 . 19 1 1 A 95 95 LYS HA H 95 4.083 4.509 -0.426 1
1 1205 . 19 1 1 A 95 95 LYS C C 95 177.660 176.109 1.551 1
1 1206 . 19 1 1 A 95 95 LYS CA C 95 57.930 55.870 2.060 1
1 1207 . 19 1 1 A 95 95 LYS CB C 95 32.860 33.733 -0.873 1
1 1211 . 19 1 1 A 95 95 LYS N N 95 121.330 120.468 0.862 1
1 1212 . 19 1 1 A 96 96 GLY H H 96 8.122 7.344 0.778 1
1 1213 . 19 1 1 A 96 96 GLY HA2 H 96 3.999 4.113 -0.114 1
1 1214 . 19 1 1 A 96 96 GLY HA3 H 96 3.999 4.121 -0.122 1
1 1215 . 19 1 1 A 96 96 GLY C C 96 174.640 172.681 1.959 1
1 1216 . 19 1 1 A 96 96 GLY CA C 96 45.660 46.045 -0.385 1
1 1217 . 19 1 1 A 96 96 GLY N N 96 107.870 105.943 1.927 1
1 1218 . 19 1 1 A 97 97 THR H H 97 7.968 8.534 -0.566 1
1 1219 . 19 1 1 A 97 97 THR HA H 97 4.294 4.388 -0.094 1
1 1224 . 19 1 1 A 97 97 THR C C 97 174.590 175.094 -0.504 1
1 1225 . 19 1 1 A 97 97 THR CA C 97 62.160 62.208 -0.048 1
1 1226 . 19 1 1 A 97 97 THR CB C 97 69.630 70.075 -0.445 1
1 1228 . 19 1 1 A 97 97 THR N N 97 112.820 115.650 -2.830 1
1 1229 . 19 1 1 A 98 98 PHE H H 98 7.938 7.904 0.034 1
1 1230 . 19 1 1 A 98 98 PHE HA H 98 4.552 4.687 -0.135 1
1 1235 . 19 1 1 A 98 98 PHE C C 98 175.370 174.561 0.809 1
1 1236 . 19 1 1 A 98 98 PHE CA C 98 58.150 57.736 0.414 1
1 1237 . 19 1 1 A 98 98 PHE CB C 98 39.550 40.040 -0.490 1
1 1239 . 19 1 1 A 98 98 PHE N N 98 122.400 118.071 4.329 1
1 1240 . 19 1 1 A 99 99 LYS H H 99 7.986 7.355 0.631 1
1 1241 . 19 1 1 A 99 99 LYS HA H 99 4.242 4.792 -0.550 1
1 1250 . 19 1 1 A 99 99 LYS C C 99 175.750 175.213 0.537 1
1 1251 . 19 1 1 A 99 99 LYS CA C 99 56.030 55.508 0.522 1
1 1252 . 19 1 1 A 99 99 LYS CB C 99 33.390 36.238 -2.848 1
1 1256 . 19 1 1 A 99 99 LYS N N 99 123.810 119.647 4.163 1
1 1257 . 19 1 1 A 100 100 GLU H H 100 8.247 8.821 -0.574 1
1 1258 . 19 1 1 A 100 100 GLU HA H 100 4.202 4.211 -0.009 1
1 1263 . 19 1 1 A 100 100 GLU C C 100 176.210 175.361 0.849 1
1 1264 . 19 1 1 A 100 100 GLU CA C 100 56.270 56.703 -0.433 1
1 1265 . 19 1 1 A 100 100 GLU CB C 100 30.550 29.159 1.391 1
1 1267 . 19 1 1 A 100 100 GLU N N 100 122.270 123.268 -0.998 1
1 1268 . 19 1 1 A 101 101 ARG H H 101 8.415 7.333 1.082 1
1 1269 . 19 1 1 A 101 101 ARG HA H 101 4.590 4.801 -0.211 1
1 1276 . 19 1 1 A 101 101 ARG CA C 101 53.980 52.863 1.117 1
1 1277 . 19 1 1 A 101 101 ARG CB C 101 30.070 32.204 -2.134 1
1 1280 . 19 1 1 A 101 101 ARG N N 101 123.970 120.037 3.933 1
1 1281 . 19 1 1 A 102 102 PRO HA H 102 4.421 4.423 -0.002 1
1 1288 . 19 1 1 A 102 102 PRO C C 102 176.700 176.431 0.269 1
1 1289 . 19 1 1 A 102 102 PRO CA C 102 63.090 64.684 -1.594 1
1 1290 . 19 1 1 A 102 102 PRO CB C 102 32.160 31.982 0.178 1
1 1293 . 19 1 1 A 103 103 LYS H H 103 8.445 7.607 0.838 1
1 1294 . 19 1 1 A 103 103 LYS HA H 103 4.294 4.749 -0.455 1
1 1303 . 19 1 1 A 103 103 LYS C C 103 175.690 174.600 1.090 1
1 1304 . 19 1 1 A 103 103 LYS CA C 103 56.380 55.349 1.031 1
1 1305 . 19 1 1 A 103 103 LYS CB C 103 33.150 35.637 -2.487 1
1 1309 . 19 1 1 A 103 103 LYS N N 103 122.480 116.392 6.088 1
1 1 . 20 1 1 A 2 2 GLU HA H 2 4.372 4.507 -0.135 1
1 6 . 20 1 1 A 2 2 GLU C C 2 175.830 175.896 -0.066 1
1 7 . 20 1 1 A 2 2 GLU CA C 2 56.340 57.965 -1.625 1
1 8 . 20 1 1 A 2 2 GLU CB C 2 30.550 32.146 -1.596 1
1 10 . 20 1 1 A 3 3 MET H H 3 8.529 7.622 0.907 1
1 11 . 20 1 1 A 3 3 MET HA H 3 4.534 4.747 -0.213 1
1 19 . 20 1 1 A 3 3 MET C C 3 175.350 175.412 -0.062 1
1 20 . 20 1 1 A 3 3 MET CA C 3 54.950 55.566 -0.616 1
1 21 . 20 1 1 A 3 3 MET CB C 3 33.150 33.693 -0.543 1
1 24 . 20 1 1 A 3 3 MET N N 3 122.340 115.681 6.659 1
1 25 . 20 1 1 A 4 4 LEU H H 4 8.265 7.927 0.338 1
1 26 . 20 1 1 A 4 4 LEU HA H 4 4.579 4.604 -0.025 1
1 36 . 20 1 1 A 4 4 LEU CA C 4 52.620 50.653 1.967 1
1 37 . 20 1 1 A 4 4 LEU CB C 4 41.780 44.965 -3.185 1
1 41 . 20 1 1 A 4 4 LEU N N 4 125.280 120.859 4.421 1
1 42 . 20 1 1 A 5 5 PRO HA H 5 4.268 4.613 -0.345 1
1 49 . 20 1 1 A 5 5 PRO C C 5 175.390 175.040 0.350 1
1 50 . 20 1 1 A 5 5 PRO CA C 5 62.620 63.306 -0.686 1
1 51 . 20 1 1 A 5 5 PRO CB C 5 32.300 32.273 0.027 1
1 54 . 20 1 1 A 6 6 ASN H H 6 6.913 8.987 -2.074 1
1 55 . 20 1 1 A 6 6 ASN HA H 6 4.460 5.147 -0.687 1
1 60 . 20 1 1 A 6 6 ASN C C 6 172.390 175.153 -2.763 1
1 61 . 20 1 1 A 6 6 ASN CA C 6 52.920 52.412 0.508 1
1 62 . 20 1 1 A 6 6 ASN CB C 6 41.920 41.857 0.063 1
1 63 . 20 1 1 A 6 6 ASN N N 6 117.610 121.694 -4.084 1
1 65 . 20 1 1 A 7 7 GLN H H 7 8.465 8.891 -0.426 1
1 66 . 20 1 1 A 7 7 GLN HA H 7 4.164 4.245 -0.081 1
1 73 . 20 1 1 A 7 7 GLN C C 7 175.020 175.553 -0.533 1
1 74 . 20 1 1 A 7 7 GLN CA C 7 58.100 57.732 0.368 1
1 75 . 20 1 1 A 7 7 GLN CB C 7 29.270 29.380 -0.110 1
1 77 . 20 1 1 A 7 7 GLN N N 7 116.430 122.168 -5.738 1
1 79 . 20 1 1 A 8 8 THR H H 8 8.374 7.714 0.660 1
1 80 . 20 1 1 A 8 8 THR HA H 8 5.399 5.524 -0.125 1
1 85 . 20 1 1 A 8 8 THR C C 8 173.700 174.187 -0.487 1
1 86 . 20 1 1 A 8 8 THR CA C 8 62.380 61.341 1.039 1
1 87 . 20 1 1 A 8 8 THR CB C 8 69.100 72.885 -3.785 1
1 89 . 20 1 1 A 8 8 THR N N 8 118.220 111.373 6.847 1
1 90 . 20 1 1 A 9 9 ILE H H 9 8.794 9.300 -0.506 1
1 91 . 20 1 1 A 9 9 ILE HA H 9 5.085 5.474 -0.389 1
1 101 . 20 1 1 A 9 9 ILE C C 9 173.490 174.144 -0.654 1
1 102 . 20 1 1 A 9 9 ILE CA C 9 59.000 59.246 -0.246 1
1 103 . 20 1 1 A 9 9 ILE CB C 9 39.710 42.403 -2.693 1
1 107 . 20 1 1 A 9 9 ILE N N 9 118.250 120.617 -2.367 1
1 108 . 20 1 1 A 10 10 TYR H H 10 9.384 9.194 0.190 1
1 109 . 20 1 1 A 10 10 TYR HA H 10 5.032 5.134 -0.102 1
1 116 . 20 1 1 A 10 10 TYR C C 10 173.920 173.637 0.283 1
1 117 . 20 1 1 A 10 10 TYR CA C 10 55.240 56.289 -1.049 1
1 118 . 20 1 1 A 10 10 TYR CB C 10 40.700 41.603 -0.903 1
1 123 . 20 1 1 A 10 10 TYR N N 10 124.310 123.995 0.315 1
1 124 . 20 1 1 A 11 11 ILE H H 11 9.000 8.986 0.014 1
1 125 . 20 1 1 A 11 11 ILE HA H 11 4.629 4.499 0.130 1
1 135 . 20 1 1 A 11 11 ILE C C 11 180.280 175.246 5.034 1
1 136 . 20 1 1 A 11 11 ILE CA C 11 60.050 59.782 0.268 1
1 137 . 20 1 1 A 11 11 ILE CB C 11 40.350 40.065 0.285 1
1 141 . 20 1 1 A 11 11 ILE N N 11 126.640 127.821 -1.181 1
1 142 . 20 1 1 A 12 12 ASN H H 12 8.844 8.829 0.015 1
1 143 . 20 1 1 A 12 12 ASN HA H 12 5.267 4.704 0.563 1
1 148 . 20 1 1 A 12 12 ASN C C 12 174.640 174.884 -0.244 1
1 149 . 20 1 1 A 12 12 ASN CA C 12 50.860 52.030 -1.170 1
1 150 . 20 1 1 A 12 12 ASN CB C 12 41.400 39.619 1.781 1
1 151 . 20 1 1 A 12 12 ASN N N 12 123.520 125.603 -2.083 1
1 153 . 20 1 1 A 13 13 ASN H H 13 8.689 7.746 0.943 1
1 154 . 20 1 1 A 13 13 ASN HA H 13 4.456 4.917 -0.461 1
1 159 . 20 1 1 A 13 13 ASN C C 13 176.140 174.025 2.115 1
1 160 . 20 1 1 A 13 13 ASN CA C 13 53.920 52.113 1.807 1
1 161 . 20 1 1 A 13 13 ASN CB C 13 39.360 39.392 -0.032 1
1 162 . 20 1 1 A 13 13 ASN N N 13 115.910 118.520 -2.610 1
1 164 . 20 1 1 A 14 14 LEU H H 14 8.221 7.432 0.789 1
1 165 . 20 1 1 A 14 14 LEU HA H 14 4.350 4.312 0.038 1
1 175 . 20 1 1 A 14 14 LEU C C 14 177.880 176.983 0.897 1
1 176 . 20 1 1 A 14 14 LEU CA C 14 54.000 55.205 -1.205 1
1 177 . 20 1 1 A 14 14 LEU CB C 14 42.830 42.254 0.576 1
1 181 . 20 1 1 A 14 14 LEU N N 14 116.310 121.996 -5.686 1
1 182 . 20 1 1 A 15 15 ASN H H 15 9.226 8.637 0.589 1
1 183 . 20 1 1 A 15 15 ASN HA H 15 4.225 4.737 -0.512 1
1 188 . 20 1 1 A 15 15 ASN C C 15 176.150 176.694 -0.544 1
1 189 . 20 1 1 A 15 15 ASN CA C 15 54.210 53.912 0.298 1
1 190 . 20 1 1 A 15 15 ASN CB C 15 38.050 40.079 -2.029 1
1 191 . 20 1 1 A 15 15 ASN N N 15 120.300 122.253 -1.953 1
1 193 . 20 1 1 A 16 16 GLU H H 16 9.234 9.143 0.091 1
1 194 . 20 1 1 A 16 16 GLU HA H 16 4.110 3.956 0.154 1
1 199 . 20 1 1 A 16 16 GLU C C 16 176.510 178.398 -1.888 1
1 200 . 20 1 1 A 16 16 GLU CA C 16 57.800 59.750 -1.950 1
1 201 . 20 1 1 A 16 16 GLU CB C 16 29.300 29.412 -0.112 1
1 203 . 20 1 1 A 16 16 GLU N N 16 128.160 127.591 0.569 1
1 204 . 20 1 1 A 17 17 LYS H H 17 8.421 8.144 0.277 1
1 205 . 20 1 1 A 17 17 LYS HA H 17 4.170 4.106 0.064 1
1 214 . 20 1 1 A 17 17 LYS C C 17 176.700 176.842 -0.142 1
1 215 . 20 1 1 A 17 17 LYS CA C 17 56.750 58.690 -1.940 1
1 216 . 20 1 1 A 17 17 LYS CB C 17 32.370 32.065 0.305 1
1 220 . 20 1 1 A 17 17 LYS N N 17 118.450 116.528 1.922 1
1 221 . 20 1 1 A 18 18 ILE H H 18 6.751 7.448 -0.697 1
1 222 . 20 1 1 A 18 18 ILE HA H 18 3.830 3.872 -0.042 1
1 232 . 20 1 1 A 18 18 ILE C C 18 176.560 175.375 1.185 1
1 233 . 20 1 1 A 18 18 ILE CA C 18 58.640 61.661 -3.021 1
1 234 . 20 1 1 A 18 18 ILE CB C 18 35.940 38.027 -2.087 1
1 238 . 20 1 1 A 18 18 ILE N N 18 118.790 122.191 -3.401 1
1 239 . 20 1 1 A 19 19 LYS H H 19 8.815 8.867 -0.052 1
1 240 . 20 1 1 A 19 19 LYS HA H 19 4.189 4.354 -0.165 1
1 249 . 20 1 1 A 19 19 LYS C C 19 178.340 178.107 0.233 1
1 250 . 20 1 1 A 19 19 LYS CA C 19 57.250 56.047 1.203 1
1 251 . 20 1 1 A 19 19 LYS CB C 19 32.800 33.384 -0.584 1
1 255 . 20 1 1 A 19 19 LYS N N 19 129.030 126.835 2.195 1
1 256 . 20 1 1 A 20 20 LYS H H 20 9.032 9.017 0.015 1
1 257 . 20 1 1 A 20 20 LYS HA H 20 3.854 3.861 -0.007 1
1 266 . 20 1 1 A 20 20 LYS C C 20 178.390 177.942 0.448 1
1 267 . 20 1 1 A 20 20 LYS CA C 20 59.740 60.465 -0.725 1
1 268 . 20 1 1 A 20 20 LYS CB C 20 31.390 32.052 -0.662 1
1 272 . 20 1 1 A 20 20 LYS N N 20 123.440 124.306 -0.866 1
1 273 . 20 1 1 A 21 21 GLU H H 21 9.341 8.105 1.236 1
1 274 . 20 1 1 A 21 21 GLU HA H 21 4.074 4.048 0.026 1
1 279 . 20 1 1 A 21 21 GLU C C 21 179.120 179.329 -0.209 1
1 280 . 20 1 1 A 21 21 GLU CA C 21 60.270 59.459 0.811 1
1 281 . 20 1 1 A 21 21 GLU CB C 21 28.840 28.959 -0.119 1
1 283 . 20 1 1 A 21 21 GLU N N 21 117.890 118.481 -0.591 1
1 284 . 20 1 1 A 22 22 GLU H H 22 6.994 7.985 -0.991 1
1 285 . 20 1 1 A 22 22 GLU HA H 22 4.166 4.086 0.080 1
1 290 . 20 1 1 A 22 22 GLU C C 22 178.200 179.123 -0.923 1
1 291 . 20 1 1 A 22 22 GLU CA C 22 58.530 59.066 -0.536 1
1 292 . 20 1 1 A 22 22 GLU CB C 22 29.180 29.549 -0.369 1
1 294 . 20 1 1 A 22 22 GLU N N 22 119.810 120.281 -0.471 1
1 295 . 20 1 1 A 23 23 LEU H H 23 8.462 8.381 0.081 1
1 296 . 20 1 1 A 23 23 LEU HA H 23 3.981 4.199 -0.218 1
1 306 . 20 1 1 A 23 23 LEU C C 23 178.780 178.329 0.451 1
1 307 . 20 1 1 A 23 23 LEU CA C 23 58.840 58.328 0.512 1
1 308 . 20 1 1 A 23 23 LEU CB C 23 42.420 41.978 0.442 1
1 312 . 20 1 1 A 23 23 LEU N N 23 121.220 121.889 -0.669 1
1 313 . 20 1 1 A 24 24 LYS H H 24 8.411 8.464 -0.053 1
1 314 . 20 1 1 A 24 24 LYS HA H 24 3.808 4.059 -0.251 1
1 323 . 20 1 1 A 24 24 LYS C C 24 178.200 179.018 -0.818 1
1 324 . 20 1 1 A 24 24 LYS CA C 24 61.500 59.239 2.261 1
1 325 . 20 1 1 A 24 24 LYS CB C 24 32.500 32.051 0.449 1
1 329 . 20 1 1 A 24 24 LYS N N 24 116.620 117.631 -1.011 1
1 330 . 20 1 1 A 25 25 LYS H H 25 7.592 8.172 -0.580 1
1 331 . 20 1 1 A 25 25 LYS HA H 25 4.181 4.134 0.047 1
1 340 . 20 1 1 A 25 25 LYS C C 25 180.280 179.062 1.218 1
1 341 . 20 1 1 A 25 25 LYS CA C 25 60.140 59.442 0.698 1
1 342 . 20 1 1 A 25 25 LYS CB C 25 32.690 32.387 0.303 1
1 346 . 20 1 1 A 25 25 LYS N N 25 118.830 120.173 -1.343 1
1 347 . 20 1 1 A 26 26 SER H H 26 8.845 8.531 0.314 1
1 348 . 20 1 1 A 26 26 SER HA H 26 4.570 4.256 0.314 1
1 351 . 20 1 1 A 26 26 SER C C 26 176.880 176.445 0.435 1
1 352 . 20 1 1 A 26 26 SER CA C 26 62.210 62.661 -0.451 1
1 353 . 20 1 1 A 26 26 SER CB C 26 63.320 63.026 0.294 1
1 354 . 20 1 1 A 26 26 SER N N 26 117.880 117.367 0.513 1
1 355 . 20 1 1 A 27 27 LEU H H 27 9.040 8.571 0.469 1
1 356 . 20 1 1 A 27 27 LEU HA H 27 4.190 4.160 0.030 1
1 366 . 20 1 1 A 27 27 LEU C C 27 179.100 178.844 0.256 1
1 367 . 20 1 1 A 27 27 LEU CA C 27 57.960 57.850 0.110 1
1 368 . 20 1 1 A 27 27 LEU CB C 27 43.030 41.752 1.278 1
1 372 . 20 1 1 A 27 27 LEU N N 27 122.840 121.286 1.554 1
1 373 . 20 1 1 A 28 28 TYR H H 28 8.535 8.642 -0.107 1
1 374 . 20 1 1 A 28 28 TYR HA H 28 3.826 4.113 -0.287 1
1 379 . 20 1 1 A 28 28 TYR C C 28 178.360 178.175 0.185 1
1 380 . 20 1 1 A 28 28 TYR CA C 28 63.220 62.404 0.816 1
1 381 . 20 1 1 A 28 28 TYR CB C 28 38.320 38.612 -0.292 1
1 384 . 20 1 1 A 28 28 TYR N N 28 121.030 119.269 1.761 1
1 385 . 20 1 1 A 29 29 ALA H H 29 8.009 8.373 -0.364 1
1 386 . 20 1 1 A 29 29 ALA HA H 29 3.364 4.137 -0.773 1
1 390 . 20 1 1 A 29 29 ALA CA C 29 55.420 54.976 0.444 1
1 391 . 20 1 1 A 29 29 ALA CB C 29 18.920 18.737 0.183 1
1 392 . 20 1 1 A 29 29 ALA N N 29 120.570 121.481 -0.911 1
1 393 . 20 1 1 A 30 30 ILE HA H 30 4.048 4.414 -0.366 1
1 403 . 20 1 1 A 30 30 ILE C C 30 177.270 177.920 -0.650 1
1 404 . 20 1 1 A 30 30 ILE CA C 30 63.380 61.863 1.517 1
1 405 . 20 1 1 A 30 30 ILE CB C 30 38.850 39.514 -0.664 1
1 409 . 20 1 1 A 31 31 PHE H H 31 8.446 8.498 -0.052 1
1 410 . 20 1 1 A 31 31 PHE HA H 31 4.900 4.607 0.293 1
1 415 . 20 1 1 A 31 31 PHE C C 31 177.820 178.165 -0.345 1
1 416 . 20 1 1 A 31 31 PHE CA C 31 62.380 60.475 1.905 1
1 417 . 20 1 1 A 31 31 PHE CB C 31 38.900 38.018 0.882 1
1 418 . 20 1 1 A 31 31 PHE N N 31 115.770 121.701 -5.931 1
1 419 . 20 1 1 A 32 32 SER H H 32 8.392 8.113 0.279 1
1 420 . 20 1 1 A 32 32 SER HA H 32 4.365 4.412 -0.047 1
1 423 . 20 1 1 A 32 32 SER C C 32 176.140 176.557 -0.417 1
1 424 . 20 1 1 A 32 32 SER CA C 32 61.680 62.137 -0.457 1
1 425 . 20 1 1 A 32 32 SER CB C 32 62.460 62.838 -0.378 1
1 426 . 20 1 1 A 32 32 SER N N 32 116.890 115.519 1.371 1
1 427 . 20 1 1 A 33 33 GLN H H 33 7.310 7.904 -0.594 1
1 428 . 20 1 1 A 33 33 GLN HA H 33 4.059 3.966 0.093 1
1 435 . 20 1 1 A 33 33 GLN C C 33 176.330 176.386 -0.056 1
1 436 . 20 1 1 A 33 33 GLN CA C 33 57.220 57.290 -0.070 1
1 437 . 20 1 1 A 33 33 GLN CB C 33 28.040 28.173 -0.133 1
1 439 . 20 1 1 A 33 33 GLN N N 33 117.530 119.603 -2.073 1
1 441 . 20 1 1 A 34 34 PHE H H 34 7.626 7.771 -0.145 1
1 442 . 20 1 1 A 34 34 PHE HA H 34 4.435 4.658 -0.223 1
1 447 . 20 1 1 A 34 34 PHE C C 34 175.590 175.784 -0.194 1
1 448 . 20 1 1 A 34 34 PHE CA C 34 59.410 58.273 1.137 1
1 449 . 20 1 1 A 34 34 PHE CB C 34 39.380 40.098 -0.718 1
1 452 . 20 1 1 A 34 34 PHE N N 34 116.090 116.765 -0.675 1
1 453 . 20 1 1 A 35 35 GLY H H 35 7.595 7.403 0.192 1
1 454 . 20 1 1 A 35 35 GLY HA2 H 35 3.960 4.030 -0.070 1
1 455 . 20 1 1 A 35 35 GLY HA3 H 35 4.612 4.078 0.534 1
1 456 . 20 1 1 A 35 35 GLY C C 35 170.890 174.516 -3.626 1
1 457 . 20 1 1 A 35 35 GLY CA C 35 44.160 45.535 -1.375 1
1 458 . 20 1 1 A 35 35 GLY N N 35 107.470 105.752 1.718 1
1 459 . 20 1 1 A 36 36 GLN H H 36 8.404 8.385 0.019 1
1 460 . 20 1 1 A 36 36 GLN HA H 36 4.275 4.128 0.147 1
1 467 . 20 1 1 A 36 36 GLN C C 36 176.650 175.183 1.467 1
1 468 . 20 1 1 A 36 36 GLN CA C 36 57.180 56.545 0.635 1
1 469 . 20 1 1 A 36 36 GLN CB C 36 29.360 27.538 1.822 1
1 471 . 20 1 1 A 36 36 GLN N N 36 116.620 118.394 -1.774 1
1 473 . 20 1 1 A 37 37 ILE H H 37 9.009 8.104 0.905 1
1 474 . 20 1 1 A 37 37 ILE HA H 37 4.068 3.717 0.351 1
1 484 . 20 1 1 A 37 37 ILE C C 37 176.530 175.853 0.677 1
1 485 . 20 1 1 A 37 37 ILE CA C 37 61.270 62.316 -1.046 1
1 486 . 20 1 1 A 37 37 ILE CB C 37 40.600 37.991 2.609 1
1 490 . 20 1 1 A 37 37 ILE N N 37 129.370 128.145 1.225 1
1 491 . 20 1 1 A 38 38 LEU H H 38 9.472 9.394 0.078 1
1 492 . 20 1 1 A 38 38 LEU HA H 38 4.291 4.544 -0.253 1
1 502 . 20 1 1 A 38 38 LEU C C 38 176.900 175.356 1.544 1
1 503 . 20 1 1 A 38 38 LEU CA C 38 56.520 55.850 0.670 1
1 504 . 20 1 1 A 38 38 LEU CB C 38 42.030 44.958 -2.928 1
1 508 . 20 1 1 A 38 38 LEU N N 38 128.180 127.985 0.195 1
1 509 . 20 1 1 A 39 39 ASP H H 39 7.493 7.672 -0.179 1
1 510 . 20 1 1 A 39 39 ASP HA H 39 4.715 4.951 -0.236 1
1 513 . 20 1 1 A 39 39 ASP C C 39 173.560 173.784 -0.224 1
1 514 . 20 1 1 A 39 39 ASP CA C 39 53.510 53.473 0.037 1
1 515 . 20 1 1 A 39 39 ASP CB C 39 44.160 43.858 0.302 1
1 516 . 20 1 1 A 39 39 ASP N N 39 114.640 117.250 -2.610 1
1 517 . 20 1 1 A 40 40 ILE H H 40 8.537 8.537 0.000 1
1 518 . 20 1 1 A 40 40 ILE HA H 40 4.722 4.854 -0.132 1
1 528 . 20 1 1 A 40 40 ILE C C 40 174.090 174.673 -0.583 1
1 529 . 20 1 1 A 40 40 ILE CA C 40 61.060 59.951 1.109 1
1 530 . 20 1 1 A 40 40 ILE CB C 40 41.220 42.166 -0.946 1
1 534 . 20 1 1 A 40 40 ILE N N 40 119.670 122.059 -2.389 1
1 535 . 20 1 1 A 41 41 VAL H H 41 8.807 8.940 -0.133 1
1 536 . 20 1 1 A 41 41 VAL HA H 41 4.195 4.923 -0.728 1
1 544 . 20 1 1 A 41 41 VAL C C 41 174.470 174.586 -0.116 1
1 545 . 20 1 1 A 41 41 VAL CA C 41 61.020 60.949 0.071 1
1 546 . 20 1 1 A 41 41 VAL CB C 41 34.160 34.883 -0.723 1
1 549 . 20 1 1 A 41 41 VAL N N 41 127.000 126.002 0.998 1
1 550 . 20 1 1 A 42 42 ALA H H 42 8.708 8.830 -0.122 1
1 551 . 20 1 1 A 42 42 ALA HA H 42 4.796 5.049 -0.253 1
1 555 . 20 1 1 A 42 42 ALA C C 42 175.210 175.731 -0.521 1
1 556 . 20 1 1 A 42 42 ALA CA C 42 51.430 51.250 0.180 1
1 557 . 20 1 1 A 42 42 ALA CB C 42 19.780 24.164 -4.384 1
1 558 . 20 1 1 A 42 42 ALA N N 42 130.100 128.312 1.788 1
1 559 . 20 1 1 A 43 43 LEU H H 43 8.224 8.550 -0.326 1
1 560 . 20 1 1 A 43 43 LEU HA H 43 4.575 5.002 -0.427 1
1 570 . 20 1 1 A 43 43 LEU CA C 43 54.620 53.427 1.193 1
1 571 . 20 1 1 A 43 43 LEU CB C 43 43.640 44.697 -1.057 1
1 575 . 20 1 1 A 43 43 LEU N N 43 122.270 120.422 1.848 1
1 576 . 20 1 1 A 44 44 LYS HA H 44 4.570 4.256 0.314 1
1 585 . 20 1 1 A 44 44 LYS CA C 44 56.000 57.964 -1.964 1
1 586 . 20 1 1 A 44 44 LYS CB C 44 32.940 32.814 0.126 1
1 590 . 20 1 1 A 45 45 THR H H 45 7.706 7.428 0.278 1
1 591 . 20 1 1 A 45 45 THR HA H 45 4.494 4.209 0.285 1
1 596 . 20 1 1 A 45 45 THR CA C 45 60.500 61.880 -1.380 1
1 597 . 20 1 1 A 45 45 THR CB C 45 70.450 70.004 0.446 1
1 599 . 20 1 1 A 45 45 THR N N 45 113.650 112.450 1.200 1
1 600 . 20 1 1 A 46 46 LEU HA H 46 4.142 4.022 0.120 1
1 610 . 20 1 1 A 46 46 LEU C C 46 179.030 177.836 1.194 1
1 611 . 20 1 1 A 46 46 LEU CA C 46 57.630 58.606 -0.976 1
1 612 . 20 1 1 A 46 46 LEU CB C 46 42.020 41.357 0.663 1
1 616 . 20 1 1 A 47 47 LYS H H 47 8.325 8.085 0.240 1
1 617 . 20 1 1 A 47 47 LYS HA H 47 4.139 4.067 0.072 1
1 626 . 20 1 1 A 47 47 LYS C C 47 176.700 177.712 -1.012 1
1 627 . 20 1 1 A 47 47 LYS CA C 47 57.800 59.027 -1.227 1
1 628 . 20 1 1 A 47 47 LYS CB C 47 32.440 32.269 0.171 1
1 632 . 20 1 1 A 47 47 LYS N N 47 116.870 119.567 -2.697 1
1 633 . 20 1 1 A 48 48 MET H H 48 7.649 7.818 -0.169 1
1 634 . 20 1 1 A 48 48 MET HA H 48 4.581 4.708 -0.127 1
1 642 . 20 1 1 A 48 48 MET C C 48 175.550 176.325 -0.775 1
1 643 . 20 1 1 A 48 48 MET CA C 48 54.970 54.629 0.341 1
1 644 . 20 1 1 A 48 48 MET CB C 48 32.770 33.756 -0.986 1
1 647 . 20 1 1 A 48 48 MET N N 48 116.090 115.561 0.529 1
1 648 . 20 1 1 A 49 49 ARG H H 49 7.653 7.777 -0.124 1
1 649 . 20 1 1 A 49 49 ARG HA H 49 4.377 4.364 0.013 1
1 656 . 20 1 1 A 49 49 ARG C C 49 177.450 176.282 1.168 1
1 657 . 20 1 1 A 49 49 ARG CA C 49 57.250 55.142 2.108 1
1 658 . 20 1 1 A 49 49 ARG CB C 49 30.400 29.231 1.169 1
1 661 . 20 1 1 A 49 49 ARG N N 49 119.580 120.989 -1.409 1
1 662 . 20 1 1 A 50 50 GLY H H 50 9.177 7.777 1.400 1
1 663 . 20 1 1 A 50 50 GLY HA2 H 50 3.960 4.034 -0.074 1
1 664 . 20 1 1 A 50 50 GLY HA3 H 50 4.107 4.043 0.064 1
1 665 . 20 1 1 A 50 50 GLY C C 50 172.960 173.461 -0.501 1
1 666 . 20 1 1 A 50 50 GLY CA C 50 46.140 45.446 0.694 1
1 667 . 20 1 1 A 50 50 GLY N N 50 111.640 106.708 4.932 1
1 668 . 20 1 1 A 51 51 GLN H H 51 7.853 7.548 0.305 1
1 669 . 20 1 1 A 51 51 GLN HA H 51 5.516 4.889 0.627 1
1 675 . 20 1 1 A 51 51 GLN C C 51 174.800 173.901 0.899 1
1 676 . 20 1 1 A 51 51 GLN CA C 51 54.160 53.731 0.429 1
1 677 . 20 1 1 A 51 51 GLN CB C 51 34.330 32.051 2.279 1
1 679 . 20 1 1 A 51 51 GLN N N 51 117.000 115.115 1.885 1
1 681 . 20 1 1 A 52 52 ALA H H 52 8.765 8.276 0.489 1
1 682 . 20 1 1 A 52 52 ALA HA H 52 5.098 4.941 0.157 1
1 686 . 20 1 1 A 52 52 ALA C C 52 174.820 175.359 -0.539 1
1 687 . 20 1 1 A 52 52 ALA CA C 52 51.170 51.267 -0.097 1
1 688 . 20 1 1 A 52 52 ALA CB C 52 23.350 23.477 -0.127 1
1 689 . 20 1 1 A 52 52 ALA N N 52 121.050 120.457 0.593 1
1 690 . 20 1 1 A 53 53 PHE H H 53 8.840 9.117 -0.277 1
1 691 . 20 1 1 A 53 53 PHE HA H 53 5.615 5.679 -0.064 1
1 696 . 20 1 1 A 53 53 PHE C C 53 174.870 174.645 0.225 1
1 697 . 20 1 1 A 53 53 PHE CA C 53 55.770 56.692 -0.922 1
1 698 . 20 1 1 A 53 53 PHE CB C 53 41.530 43.490 -1.960 1
1 701 . 20 1 1 A 53 53 PHE N N 53 115.860 117.020 -1.160 1
1 702 . 20 1 1 A 54 54 VAL H H 54 8.766 8.690 0.076 1
1 703 . 20 1 1 A 54 54 VAL HA H 54 4.169 4.718 -0.549 1
1 711 . 20 1 1 A 54 54 VAL C C 54 173.330 173.657 -0.327 1
1 712 . 20 1 1 A 54 54 VAL CA C 54 61.920 60.228 1.692 1
1 713 . 20 1 1 A 54 54 VAL CB C 54 32.860 35.553 -2.693 1
1 716 . 20 1 1 A 54 54 VAL N N 54 121.920 119.629 2.291 1
1 717 . 20 1 1 A 55 55 ILE H H 55 8.319 9.018 -0.699 1
1 718 . 20 1 1 A 55 55 ILE HA H 55 4.512 5.269 -0.757 1
1 728 . 20 1 1 A 55 55 ILE C C 55 173.920 174.634 -0.714 1
1 729 . 20 1 1 A 55 55 ILE CA C 55 60.880 60.006 0.874 1
1 730 . 20 1 1 A 55 55 ILE CB C 55 39.130 39.969 -0.839 1
1 734 . 20 1 1 A 55 55 ILE N N 55 126.350 128.136 -1.786 1
1 735 . 20 1 1 A 56 56 PHE H H 56 9.009 9.091 -0.082 1
1 736 . 20 1 1 A 56 56 PHE HA H 56 4.889 4.977 -0.088 1
1 741 . 20 1 1 A 56 56 PHE C C 56 175.180 175.869 -0.689 1
1 742 . 20 1 1 A 56 56 PHE CA C 56 59.030 57.046 1.984 1
1 743 . 20 1 1 A 56 56 PHE CB C 56 40.320 43.213 -2.893 1
1 744 . 20 1 1 A 56 56 PHE N N 56 126.440 125.548 0.892 1
1 745 . 20 1 1 A 57 57 LYS H H 57 8.191 9.043 -0.852 1
1 746 . 20 1 1 A 57 57 LYS HA H 57 3.969 4.115 -0.146 1
1 755 . 20 1 1 A 57 57 LYS C C 57 176.140 175.765 0.375 1
1 756 . 20 1 1 A 57 57 LYS CA C 57 59.290 58.995 0.295 1
1 757 . 20 1 1 A 57 57 LYS CB C 57 33.850 32.862 0.988 1
1 761 . 20 1 1 A 57 57 LYS N N 57 119.130 122.378 -3.248 1
1 762 . 20 1 1 A 58 58 GLU H H 58 8.614 7.977 0.637 1
1 763 . 20 1 1 A 58 58 GLU HA H 58 4.850 4.631 0.219 1
1 768 . 20 1 1 A 58 58 GLU C C 58 177.130 176.075 1.055 1
1 769 . 20 1 1 A 58 58 GLU CA C 58 54.130 55.884 -1.754 1
1 770 . 20 1 1 A 58 58 GLU CB C 58 32.230 33.335 -1.105 1
1 772 . 20 1 1 A 58 58 GLU N N 58 114.350 117.710 -3.360 1
1 773 . 20 1 1 A 59 59 ILE H H 59 8.825 8.658 0.167 1
1 774 . 20 1 1 A 59 59 ILE HA H 59 3.499 3.835 -0.336 1
1 784 . 20 1 1 A 59 59 ILE C C 59 177.650 178.178 -0.528 1
1 785 . 20 1 1 A 59 59 ILE CA C 59 65.660 64.275 1.385 1
1 786 . 20 1 1 A 59 59 ILE CB C 59 38.040 37.680 0.360 1
1 790 . 20 1 1 A 59 59 ILE N N 59 122.940 123.263 -0.323 1
1 791 . 20 1 1 A 60 60 GLY H H 60 8.875 8.484 0.391 1
1 792 . 20 1 1 A 60 60 GLY HA2 H 60 3.780 3.802 -0.022 1
1 793 . 20 1 1 A 60 60 GLY HA3 H 60 3.925 3.812 0.113 1
1 794 . 20 1 1 A 60 60 GLY C C 60 176.700 176.372 0.328 1
1 795 . 20 1 1 A 60 60 GLY CA C 60 47.070 47.503 -0.433 1
1 796 . 20 1 1 A 60 60 GLY N N 60 106.980 110.886 -3.906 1
1 797 . 20 1 1 A 61 61 SER H H 61 6.973 7.950 -0.977 1
1 798 . 20 1 1 A 61 61 SER HA H 61 4.141 4.281 -0.140 1
1 801 . 20 1 1 A 61 61 SER C C 61 174.060 176.194 -2.134 1
1 802 . 20 1 1 A 61 61 SER CA C 61 61.870 62.579 -0.709 1
1 803 . 20 1 1 A 61 61 SER CB C 61 63.150 62.894 0.256 1
1 804 . 20 1 1 A 61 61 SER N N 61 116.200 119.319 -3.119 1
1 805 . 20 1 1 A 62 62 ALA H H 62 6.786 8.386 -1.600 1
1 806 . 20 1 1 A 62 62 ALA HA H 62 3.370 3.131 0.239 1
1 810 . 20 1 1 A 62 62 ALA C C 62 178.960 179.227 -0.267 1
1 811 . 20 1 1 A 62 62 ALA CA C 62 55.370 54.964 0.406 1
1 812 . 20 1 1 A 62 62 ALA CB C 62 19.030 18.479 0.551 1
1 813 . 20 1 1 A 62 62 ALA N N 62 123.660 123.842 -0.182 1
1 814 . 20 1 1 A 63 63 SER H H 63 8.379 8.049 0.330 1
1 815 . 20 1 1 A 63 63 SER HA H 63 4.551 4.152 0.399 1
1 818 . 20 1 1 A 63 63 SER C C 63 177.040 176.178 0.862 1
1 819 . 20 1 1 A 63 63 SER CA C 63 61.000 61.578 -0.578 1
1 820 . 20 1 1 A 63 63 SER CB C 63 63.090 62.688 0.402 1
1 821 . 20 1 1 A 63 63 SER N N 63 111.560 112.791 -1.231 1
1 822 . 20 1 1 A 64 64 ASN H H 64 7.737 8.319 -0.582 1
1 823 . 20 1 1 A 64 64 ASN HA H 64 4.434 4.384 0.050 1
1 828 . 20 1 1 A 64 64 ASN C C 64 177.490 177.228 0.262 1
1 829 . 20 1 1 A 64 64 ASN CA C 64 55.410 56.403 -0.993 1
1 830 . 20 1 1 A 64 64 ASN CB C 64 37.930 38.687 -0.757 1
1 831 . 20 1 1 A 64 64 ASN N N 64 120.200 120.450 -0.250 1
1 833 . 20 1 1 A 65 65 ALA H H 65 8.085 7.822 0.263 1
1 834 . 20 1 1 A 65 65 ALA HA H 65 4.864 3.995 0.869 1
1 838 . 20 1 1 A 65 65 ALA C C 65 178.180 179.576 -1.396 1
1 839 . 20 1 1 A 65 65 ALA CA C 65 54.700 55.000 -0.300 1
1 840 . 20 1 1 A 65 65 ALA CB C 65 19.950 18.019 1.931 1
1 841 . 20 1 1 A 65 65 ALA N N 65 125.150 121.859 3.291 1
1 842 . 20 1 1 A 66 66 LEU H H 66 8.083 8.031 0.052 1
1 843 . 20 1 1 A 66 66 LEU HA H 66 3.560 4.108 -0.548 1
1 853 . 20 1 1 A 66 66 LEU C C 66 177.650 178.384 -0.734 1
1 854 . 20 1 1 A 66 66 LEU CA C 66 59.540 58.078 1.462 1
1 855 . 20 1 1 A 66 66 LEU CB C 66 42.020 41.427 0.593 1
1 859 . 20 1 1 A 66 66 LEU N N 66 118.670 119.551 -0.881 1
1 860 . 20 1 1 A 67 67 ARG H H 67 7.620 8.368 -0.748 1
1 861 . 20 1 1 A 67 67 ARG HA H 67 3.939 3.823 0.116 1
1 868 . 20 1 1 A 67 67 ARG C C 67 178.960 178.775 0.185 1
1 869 . 20 1 1 A 67 67 ARG CA C 67 58.860 59.493 -0.633 1
1 870 . 20 1 1 A 67 67 ARG CB C 67 30.570 29.686 0.884 1
1 873 . 20 1 1 A 67 67 ARG N N 67 114.570 119.350 -4.780 1
1 874 . 20 1 1 A 68 68 THR H H 68 7.850 8.120 -0.270 1
1 875 . 20 1 1 A 68 68 THR HA H 68 4.040 3.776 0.264 1
1 880 . 20 1 1 A 68 68 THR C C 68 175.960 175.111 0.849 1
1 881 . 20 1 1 A 68 68 THR CA C 68 66.160 65.842 0.318 1
1 882 . 20 1 1 A 68 68 THR CB C 68 69.260 68.334 0.926 1
1 884 . 20 1 1 A 68 68 THR N N 68 112.630 116.038 -3.408 1
1 885 . 20 1 1 A 69 69 MET H H 69 7.934 7.702 0.232 1
1 886 . 20 1 1 A 69 69 MET HA H 69 4.734 4.244 0.490 1
1 894 . 20 1 1 A 69 69 MET C C 69 175.820 175.829 -0.009 1
1 895 . 20 1 1 A 69 69 MET CA C 69 53.560 54.939 -1.379 1
1 896 . 20 1 1 A 69 69 MET CB C 69 29.730 32.550 -2.820 1
1 899 . 20 1 1 A 69 69 MET N N 69 115.080 115.987 -0.907 1
1 900 . 20 1 1 A 70 70 GLN H H 70 7.003 7.420 -0.417 1
1 901 . 20 1 1 A 70 70 GLN HA H 70 4.043 4.288 -0.245 1
1 908 . 20 1 1 A 70 70 GLN C C 70 178.020 176.368 1.652 1
1 909 . 20 1 1 A 70 70 GLN CA C 70 57.710 56.869 0.841 1
1 910 . 20 1 1 A 70 70 GLN CB C 70 30.080 28.532 1.548 1
1 912 . 20 1 1 A 70 70 GLN N N 70 120.730 118.339 2.391 1
1 914 . 20 1 1 A 71 71 GLY H H 71 8.693 9.075 -0.382 1
1 915 . 20 1 1 A 71 71 GLY HA2 H 71 4.230 3.945 0.285 1
1 916 . 20 1 1 A 71 71 GLY HA3 H 71 3.817 3.947 -0.130 1
1 917 . 20 1 1 A 71 71 GLY C C 71 173.290 174.320 -1.030 1
1 918 . 20 1 1 A 71 71 GLY CA C 71 45.960 45.660 0.300 1
1 919 . 20 1 1 A 71 71 GLY N N 71 118.750 112.299 6.451 1
1 920 . 20 1 1 A 72 72 PHE H H 72 8.426 7.995 0.431 1
1 921 . 20 1 1 A 72 72 PHE HA H 72 4.641 4.468 0.173 1
1 926 . 20 1 1 A 72 72 PHE CA C 72 56.830 57.092 -0.262 1
1 927 . 20 1 1 A 72 72 PHE CB C 72 40.650 39.773 0.877 1
1 928 . 20 1 1 A 72 72 PHE N N 72 124.640 122.071 2.569 1
1 929 . 20 1 1 A 73 73 PRO HA H 73 4.052 4.867 -0.815 1
1 934 . 20 1 1 A 73 73 PRO C C 73 174.500 176.212 -1.712 1
1 935 . 20 1 1 A 73 73 PRO CA C 73 62.460 62.054 0.406 1
1 936 . 20 1 1 A 73 73 PRO CB C 73 30.700 28.923 1.777 1
1 939 . 20 1 1 A 74 74 PHE H H 74 8.382 8.668 -0.286 1
1 940 . 20 1 1 A 74 74 PHE HA H 74 4.235 4.335 -0.100 1
1 945 . 20 1 1 A 74 74 PHE C C 74 175.590 175.686 -0.096 1
1 946 . 20 1 1 A 74 74 PHE CA C 74 56.440 61.725 -5.285 1
1 947 . 20 1 1 A 74 74 PHE CB C 74 42.540 39.795 2.745 1
1 950 . 20 1 1 A 74 74 PHE N N 74 128.220 124.076 4.144 1
1 951 . 20 1 1 A 75 75 TYR H H 75 9.185 7.932 1.253 1
1 952 . 20 1 1 A 75 75 TYR HA H 75 3.764 5.021 -1.257 1
1 957 . 20 1 1 A 75 75 TYR C C 75 175.210 174.774 0.436 1
1 958 . 20 1 1 A 75 75 TYR CA C 75 60.780 55.746 5.034 1
1 959 . 20 1 1 A 75 75 TYR CB C 75 36.110 38.601 -2.491 1
1 962 . 20 1 1 A 75 75 TYR N N 75 128.090 115.172 12.918 1
1 963 . 20 1 1 A 76 76 ASP H H 76 8.306 8.374 -0.068 1
1 964 . 20 1 1 A 76 76 ASP HA H 76 4.075 4.361 -0.286 1
1 967 . 20 1 1 A 76 76 ASP C C 76 175.390 175.240 0.150 1
1 968 . 20 1 1 A 76 76 ASP CA C 76 56.360 55.850 0.510 1
1 969 . 20 1 1 A 76 76 ASP CB C 76 40.510 40.483 0.027 1
1 970 . 20 1 1 A 76 76 ASP N N 76 107.370 118.685 -11.315 1
1 971 . 20 1 1 A 77 77 LYS H H 77 7.687 8.020 -0.333 1
1 972 . 20 1 1 A 77 77 LYS HA H 77 5.020 4.476 0.544 1
1 981 . 20 1 1 A 77 77 LYS CA C 77 53.450 54.642 -1.192 1
1 982 . 20 1 1 A 77 77 LYS CB C 77 34.800 32.908 1.892 1
1 986 . 20 1 1 A 77 77 LYS N N 77 118.880 121.140 -2.260 1
1 987 . 20 1 1 A 78 78 PRO HA H 78 4.240 4.543 -0.303 1
1 994 . 20 1 1 A 78 78 PRO C C 78 177.470 177.216 0.254 1
1 995 . 20 1 1 A 78 78 PRO CA C 78 62.310 63.025 -0.715 1
1 996 . 20 1 1 A 78 78 PRO CB C 78 31.690 31.917 -0.227 1
1 999 . 20 1 1 A 79 79 MET H H 79 8.696 8.561 0.135 1
1 1000 . 20 1 1 A 79 79 MET HA H 79 4.289 4.521 -0.232 1
1 1008 . 20 1 1 A 79 79 MET C C 79 175.960 176.106 -0.146 1
1 1009 . 20 1 1 A 79 79 MET CA C 79 58.600 56.650 1.950 1
1 1010 . 20 1 1 A 79 79 MET CB C 79 35.200 33.200 2.000 1
1 1013 . 20 1 1 A 79 79 MET N N 79 126.540 122.224 4.316 1
1 1014 . 20 1 1 A 80 80 GLN H H 80 7.779 8.619 -0.840 1
1 1015 . 20 1 1 A 80 80 GLN HA H 80 4.855 5.200 -0.345 1
1 1022 . 20 1 1 A 80 80 GLN C C 80 174.820 174.721 0.099 1
1 1023 . 20 1 1 A 80 80 GLN CA C 80 54.550 54.224 0.326 1
1 1024 . 20 1 1 A 80 80 GLN CB C 80 29.320 31.716 -2.396 1
1 1026 . 20 1 1 A 80 80 GLN N N 80 122.810 120.138 2.672 1
1 1028 . 20 1 1 A 81 81 ILE H H 81 9.682 8.804 0.878 1
1 1029 . 20 1 1 A 81 81 ILE HA H 81 5.010 4.894 0.116 1
1 1039 . 20 1 1 A 81 81 ILE C C 81 174.710 174.430 0.280 1
1 1040 . 20 1 1 A 81 81 ILE CA C 81 60.900 59.954 0.946 1
1 1041 . 20 1 1 A 81 81 ILE CB C 81 40.120 42.290 -2.170 1
1 1045 . 20 1 1 A 81 81 ILE N N 81 126.070 123.285 2.785 1
1 1046 . 20 1 1 A 82 82 ALA H H 82 9.039 8.501 0.538 1
1 1047 . 20 1 1 A 82 82 ALA HA H 82 4.620 4.984 -0.364 1
1 1051 . 20 1 1 A 82 82 ALA C C 82 176.700 175.654 1.046 1
1 1052 . 20 1 1 A 82 82 ALA CA C 82 50.890 50.849 0.041 1
1 1053 . 20 1 1 A 82 82 ALA CB C 82 23.420 23.424 -0.004 1
1 1054 . 20 1 1 A 82 82 ALA N N 82 130.310 125.355 4.955 1
1 1055 . 20 1 1 A 83 83 TYR H H 83 8.411 8.347 0.064 1
1 1056 . 20 1 1 A 83 83 TYR HA H 83 4.905 4.873 0.032 1
1 1061 . 20 1 1 A 83 83 TYR C C 83 176.900 177.035 -0.135 1
1 1062 . 20 1 1 A 83 83 TYR CA C 83 59.280 57.453 1.827 1
1 1063 . 20 1 1 A 83 83 TYR CB C 83 39.350 39.961 -0.611 1
1 1065 . 20 1 1 A 83 83 TYR N N 83 118.580 119.490 -0.910 1
1 1066 . 20 1 1 A 84 84 SER H H 84 8.452 9.087 -0.635 1
1 1067 . 20 1 1 A 84 84 SER HA H 84 4.248 4.519 -0.271 1
1 1070 . 20 1 1 A 84 84 SER C C 84 174.220 177.036 -2.816 1
1 1071 . 20 1 1 A 84 84 SER CA C 84 58.560 61.015 -2.455 1
1 1072 . 20 1 1 A 84 84 SER CB C 84 64.100 63.728 0.372 1
1 1073 . 20 1 1 A 84 84 SER N N 84 115.040 116.737 -1.697 1
1 1074 . 20 1 1 A 85 85 LYS H H 85 8.443 8.548 -0.105 1
1 1075 . 20 1 1 A 85 85 LYS HA H 85 4.275 4.155 0.120 1
1 1080 . 20 1 1 A 85 85 LYS C C 85 177.080 178.259 -1.179 1
1 1081 . 20 1 1 A 85 85 LYS CA C 85 56.960 58.914 -1.954 1
1 1082 . 20 1 1 A 85 85 LYS CB C 85 33.150 32.050 1.100 1
1 1086 . 20 1 1 A 85 85 LYS N N 85 123.610 123.581 0.029 1
1 1087 . 20 1 1 A 86 86 SER H H 86 8.204 8.498 -0.294 1
1 1088 . 20 1 1 A 86 86 SER HA H 86 4.335 4.355 -0.020 1
1 1090 . 20 1 1 A 86 86 SER C C 86 174.080 174.772 -0.692 1
1 1091 . 20 1 1 A 86 86 SER CA C 86 58.400 58.917 -0.517 1
1 1092 . 20 1 1 A 86 86 SER CB C 86 63.750 62.891 0.859 1
1 1093 . 20 1 1 A 86 86 SER N N 86 115.780 114.137 1.643 1
1 1094 . 20 1 1 A 87 87 ASP H H 87 8.435 7.920 0.515 1
1 1095 . 20 1 1 A 87 87 ASP HA H 87 4.578 4.080 0.498 1
1 1098 . 20 1 1 A 87 87 ASP C C 87 176.630 178.394 -1.764 1
1 1099 . 20 1 1 A 87 87 ASP CA C 87 54.260 57.921 -3.661 1
1 1100 . 20 1 1 A 87 87 ASP CB C 87 40.780 41.892 -1.112 1
1 1101 . 20 1 1 A 87 87 ASP N N 87 121.910 122.594 -0.684 1
1 1102 . 20 1 1 A 88 88 SER H H 88 8.061 7.922 0.139 1
1 1103 . 20 1 1 A 88 88 SER HA H 88 4.328 3.845 0.483 1
1 1106 . 20 1 1 A 88 88 SER C C 88 174.840 175.661 -0.821 1
1 1107 . 20 1 1 A 88 88 SER CA C 88 58.800 59.850 -1.050 1
1 1108 . 20 1 1 A 88 88 SER CB C 88 63.870 62.061 1.809 1
1 1109 . 20 1 1 A 88 88 SER N N 88 116.440 115.875 0.565 1
1 1110 . 20 1 1 A 89 89 ASP H H 89 8.556 7.835 0.721 1
1 1111 . 20 1 1 A 89 89 ASP HA H 89 4.460 4.382 0.078 1
1 1114 . 20 1 1 A 89 89 ASP C C 89 177.450 178.363 -0.913 1
1 1115 . 20 1 1 A 89 89 ASP CA C 89 56.110 57.537 -1.427 1
1 1116 . 20 1 1 A 89 89 ASP CB C 89 40.500 41.041 -0.541 1
1 1117 . 20 1 1 A 89 89 ASP N N 89 123.080 121.315 1.765 1
1 1118 . 20 1 1 A 90 90 ILE H H 90 7.756 7.761 -0.005 1
1 1119 . 20 1 1 A 90 90 ILE HA H 90 3.829 3.785 0.044 1
1 1129 . 20 1 1 A 90 90 ILE C C 90 177.060 178.106 -1.046 1
1 1130 . 20 1 1 A 90 90 ILE CA C 90 63.070 64.495 -1.425 1
1 1131 . 20 1 1 A 90 90 ILE CB C 90 38.290 37.214 1.076 1
1 1135 . 20 1 1 A 90 90 ILE N N 90 119.250 117.718 1.532 1
1 1136 . 20 1 1 A 91 91 VAL H H 91 7.459 8.403 -0.944 1
1 1137 . 20 1 1 A 91 91 VAL HA H 91 3.613 3.484 0.129 1
1 1145 . 20 1 1 A 91 91 VAL C C 91 177.080 178.419 -1.339 1
1 1146 . 20 1 1 A 91 91 VAL CA C 91 65.250 66.455 -1.205 1
1 1147 . 20 1 1 A 91 91 VAL CB C 91 31.970 31.561 0.409 1
1 1150 . 20 1 1 A 91 91 VAL N N 91 121.040 121.899 -0.859 1
1 1151 . 20 1 1 A 92 92 ALA H H 92 8.076 8.050 0.026 1
1 1152 . 20 1 1 A 92 92 ALA HA H 92 4.098 3.968 0.130 1
1 1156 . 20 1 1 A 92 92 ALA C C 92 179.510 180.072 -0.562 1
1 1157 . 20 1 1 A 92 92 ALA CA C 92 54.180 55.077 -0.897 1
1 1158 . 20 1 1 A 92 92 ALA CB C 92 18.660 18.220 0.440 1
1 1159 . 20 1 1 A 92 92 ALA N N 92 122.880 121.867 1.013 1
1 1160 . 20 1 1 A 93 93 LYS H H 93 7.946 7.825 0.121 1
1 1161 . 20 1 1 A 93 93 LYS HA H 93 4.136 4.096 0.040 1
1 1170 . 20 1 1 A 93 93 LYS C C 93 178.300 179.143 -0.843 1
1 1171 . 20 1 1 A 93 93 LYS CA C 93 58.000 59.324 -1.324 1
1 1172 . 20 1 1 A 93 93 LYS CB C 93 32.550 32.393 0.157 1
1 1176 . 20 1 1 A 93 93 LYS N N 93 118.800 117.454 1.346 1
1 1177 . 20 1 1 A 94 94 ILE H H 94 7.894 7.798 0.096 1
1 1178 . 20 1 1 A 94 94 ILE HA H 94 3.906 4.025 -0.119 1
1 1188 . 20 1 1 A 94 94 ILE C C 94 177.720 176.838 0.882 1
1 1189 . 20 1 1 A 94 94 ILE CA C 94 63.200 63.584 -0.384 1
1 1190 . 20 1 1 A 94 94 ILE CB C 94 38.330 37.908 0.422 1
1 1194 . 20 1 1 A 94 94 ILE N N 94 120.760 115.379 5.381 1
1 1195 . 20 1 1 A 95 95 LYS H H 95 8.310 8.329 -0.019 1
1 1196 . 20 1 1 A 95 95 LYS HA H 95 4.083 4.587 -0.504 1
1 1205 . 20 1 1 A 95 95 LYS C C 95 177.660 176.507 1.153 1
1 1206 . 20 1 1 A 95 95 LYS CA C 95 57.930 57.639 0.291 1
1 1207 . 20 1 1 A 95 95 LYS CB C 95 32.860 35.337 -2.477 1
1 1211 . 20 1 1 A 95 95 LYS N N 95 121.330 121.211 0.119 1
1 1212 . 20 1 1 A 96 96 GLY H H 96 8.122 7.487 0.635 1
1 1213 . 20 1 1 A 96 96 GLY HA2 H 96 3.999 4.047 -0.048 1
1 1214 . 20 1 1 A 96 96 GLY HA3 H 96 3.999 4.049 -0.050 1
1 1215 . 20 1 1 A 96 96 GLY C C 96 174.640 174.880 -0.240 1
1 1216 . 20 1 1 A 96 96 GLY CA C 96 45.660 45.401 0.259 1
1 1217 . 20 1 1 A 96 96 GLY N N 96 107.870 107.619 0.251 1
1 1218 . 20 1 1 A 97 97 THR H H 97 7.968 7.805 0.163 1
1 1219 . 20 1 1 A 97 97 THR HA H 97 4.294 4.263 0.031 1
1 1224 . 20 1 1 A 97 97 THR C C 97 174.590 175.396 -0.806 1
1 1225 . 20 1 1 A 97 97 THR CA C 97 62.160 63.136 -0.976 1
1 1226 . 20 1 1 A 97 97 THR CB C 97 69.630 68.995 0.635 1
1 1228 . 20 1 1 A 97 97 THR N N 97 112.820 115.329 -2.509 1
1 1229 . 20 1 1 A 98 98 PHE H H 98 7.938 9.000 -1.062 1
1 1230 . 20 1 1 A 98 98 PHE HA H 98 4.552 4.190 0.362 1
1 1235 . 20 1 1 A 98 98 PHE C C 98 175.370 174.830 0.540 1
1 1236 . 20 1 1 A 98 98 PHE CA C 98 58.150 61.843 -3.693 1
1 1237 . 20 1 1 A 98 98 PHE CB C 98 39.550 39.511 0.039 1
1 1239 . 20 1 1 A 98 98 PHE N N 98 122.400 124.564 -2.164 1
1 1240 . 20 1 1 A 99 99 LYS H H 99 7.986 7.805 0.181 1
1 1241 . 20 1 1 A 99 99 LYS HA H 99 4.242 4.631 -0.389 1
1 1250 . 20 1 1 A 99 99 LYS C C 99 175.750 175.474 0.276 1
1 1251 . 20 1 1 A 99 99 LYS CA C 99 56.030 54.386 1.644 1
1 1252 . 20 1 1 A 99 99 LYS CB C 99 33.390 36.433 -3.043 1
1 1256 . 20 1 1 A 99 99 LYS N N 99 123.810 116.427 7.383 1
1 1257 . 20 1 1 A 100 100 GLU H H 100 8.247 8.607 -0.360 1
1 1258 . 20 1 1 A 100 100 GLU HA H 100 4.202 4.455 -0.253 1
1 1263 . 20 1 1 A 100 100 GLU C C 100 176.210 175.109 1.101 1
1 1264 . 20 1 1 A 100 100 GLU CA C 100 56.270 55.742 0.528 1
1 1265 . 20 1 1 A 100 100 GLU CB C 100 30.550 28.375 2.175 1
1 1267 . 20 1 1 A 100 100 GLU N N 100 122.270 122.563 -0.293 1
1 1268 . 20 1 1 A 101 101 ARG H H 101 8.415 7.821 0.594 1
1 1269 . 20 1 1 A 101 101 ARG HA H 101 4.590 4.839 -0.249 1
1 1276 . 20 1 1 A 101 101 ARG CA C 101 53.980 53.034 0.946 1
1 1277 . 20 1 1 A 101 101 ARG CB C 101 30.070 31.186 -1.116 1
1 1280 . 20 1 1 A 101 101 ARG N N 101 123.970 125.554 -1.584 1
1 1281 . 20 1 1 A 102 102 PRO HA H 102 4.421 4.399 0.022 1
1 1288 . 20 1 1 A 102 102 PRO C C 102 176.700 177.013 -0.313 1
1 1289 . 20 1 1 A 102 102 PRO CA C 102 63.090 65.562 -2.472 1
1 1290 . 20 1 1 A 102 102 PRO CB C 102 32.160 31.763 0.397 1
1 1293 . 20 1 1 A 103 103 LYS H H 103 8.445 8.223 0.222 1
1 1294 . 20 1 1 A 103 103 LYS HA H 103 4.294 4.530 -0.236 1
1 1303 . 20 1 1 A 103 103 LYS C C 103 175.690 174.858 0.832 1
1 1304 . 20 1 1 A 103 103 LYS CA C 103 56.380 55.432 0.948 1
1 1305 . 20 1 1 A 103 103 LYS CB C 103 33.150 33.103 0.047 1
1 1309 . 20 1 1 A 103 103 LYS N N 103 122.480 116.250 6.230 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 94 1.082 1
2 1 1 1 "RMS(OBS, PRED)" CA 102 1.337 1
3 1 1 1 "RMS(OBS, PRED)" CB 97 1.554 1
4 1 1 1 "RMS(OBS, PRED)" H 94 0.587 1
5 1 1 1 "RMS(OBS, PRED)" HA 107 0.338 1
6 1 1 1 "RMS(OBS, PRED)" N 94 3.596 1
7 1 2 1 "RMS(OBS, PRED)" C 94 1.056 1
8 1 2 1 "RMS(OBS, PRED)" CA 102 1.361 1
9 1 2 1 "RMS(OBS, PRED)" CB 97 1.486 1
10 1 2 1 "RMS(OBS, PRED)" H 94 0.563 1
11 1 2 1 "RMS(OBS, PRED)" HA 107 0.338 1
12 1 2 1 "RMS(OBS, PRED)" N 94 3.506 1
13 1 3 1 "RMS(OBS, PRED)" C 94 1.120 1
14 1 3 1 "RMS(OBS, PRED)" CA 102 1.371 1
15 1 3 1 "RMS(OBS, PRED)" CB 97 1.510 1
16 1 3 1 "RMS(OBS, PRED)" H 94 0.552 1
17 1 3 1 "RMS(OBS, PRED)" HA 107 0.375 1
18 1 3 1 "RMS(OBS, PRED)" N 94 3.295 1
19 1 4 1 "RMS(OBS, PRED)" C 94 1.052 1
20 1 4 1 "RMS(OBS, PRED)" CA 102 1.484 1
21 1 4 1 "RMS(OBS, PRED)" CB 97 1.442 1
22 1 4 1 "RMS(OBS, PRED)" H 94 0.561 1
23 1 4 1 "RMS(OBS, PRED)" HA 107 0.350 1
24 1 4 1 "RMS(OBS, PRED)" N 94 3.611 1
25 1 5 1 "RMS(OBS, PRED)" C 94 1.047 1
26 1 5 1 "RMS(OBS, PRED)" CA 102 1.429 1
27 1 5 1 "RMS(OBS, PRED)" CB 97 1.497 1
28 1 5 1 "RMS(OBS, PRED)" H 94 0.580 1
29 1 5 1 "RMS(OBS, PRED)" HA 107 0.367 1
30 1 5 1 "RMS(OBS, PRED)" N 94 3.649 1
31 1 6 1 "RMS(OBS, PRED)" C 94 1.107 1
32 1 6 1 "RMS(OBS, PRED)" CA 102 1.355 1
33 1 6 1 "RMS(OBS, PRED)" CB 97 1.582 1
34 1 6 1 "RMS(OBS, PRED)" H 94 0.591 1
35 1 6 1 "RMS(OBS, PRED)" HA 107 0.351 1
36 1 6 1 "RMS(OBS, PRED)" N 94 3.586 1
37 1 7 1 "RMS(OBS, PRED)" C 94 1.077 1
38 1 7 1 "RMS(OBS, PRED)" CA 102 1.481 1
39 1 7 1 "RMS(OBS, PRED)" CB 97 1.534 1
40 1 7 1 "RMS(OBS, PRED)" H 94 0.560 1
41 1 7 1 "RMS(OBS, PRED)" HA 107 0.353 1
42 1 7 1 "RMS(OBS, PRED)" N 94 3.662 1
43 1 8 1 "RMS(OBS, PRED)" C 94 1.195 1
44 1 8 1 "RMS(OBS, PRED)" CA 102 1.362 1
45 1 8 1 "RMS(OBS, PRED)" CB 97 1.419 1
46 1 8 1 "RMS(OBS, PRED)" H 94 0.521 1
47 1 8 1 "RMS(OBS, PRED)" HA 107 0.366 1
48 1 8 1 "RMS(OBS, PRED)" N 94 3.449 1
49 1 9 1 "RMS(OBS, PRED)" C 94 1.108 1
50 1 9 1 "RMS(OBS, PRED)" CA 102 1.289 1
51 1 9 1 "RMS(OBS, PRED)" CB 97 1.626 1
52 1 9 1 "RMS(OBS, PRED)" H 94 0.541 1
53 1 9 1 "RMS(OBS, PRED)" HA 107 0.368 1
54 1 9 1 "RMS(OBS, PRED)" N 94 3.172 1
55 1 10 1 "RMS(OBS, PRED)" C 94 1.163 1
56 1 10 1 "RMS(OBS, PRED)" CA 102 1.240 1
57 1 10 1 "RMS(OBS, PRED)" CB 97 1.695 1
58 1 10 1 "RMS(OBS, PRED)" H 94 0.583 1
59 1 10 1 "RMS(OBS, PRED)" HA 107 0.356 1
60 1 10 1 "RMS(OBS, PRED)" N 94 3.315 1
61 1 11 1 "RMS(OBS, PRED)" C 94 1.102 1
62 1 11 1 "RMS(OBS, PRED)" CA 102 1.382 1
63 1 11 1 "RMS(OBS, PRED)" CB 97 1.495 1
64 1 11 1 "RMS(OBS, PRED)" H 94 0.588 1
65 1 11 1 "RMS(OBS, PRED)" HA 107 0.323 1
66 1 11 1 "RMS(OBS, PRED)" N 94 3.418 1
67 1 12 1 "RMS(OBS, PRED)" C 94 1.025 1
68 1 12 1 "RMS(OBS, PRED)" CA 102 1.398 1
69 1 12 1 "RMS(OBS, PRED)" CB 97 1.467 1
70 1 12 1 "RMS(OBS, PRED)" H 94 0.540 1
71 1 12 1 "RMS(OBS, PRED)" HA 107 0.369 1
72 1 12 1 "RMS(OBS, PRED)" N 94 3.571 1
73 1 13 1 "RMS(OBS, PRED)" C 94 1.141 1
74 1 13 1 "RMS(OBS, PRED)" CA 102 1.417 1
75 1 13 1 "RMS(OBS, PRED)" CB 97 1.457 1
76 1 13 1 "RMS(OBS, PRED)" H 94 0.542 1
77 1 13 1 "RMS(OBS, PRED)" HA 107 0.340 1
78 1 13 1 "RMS(OBS, PRED)" N 94 3.493 1
79 1 14 1 "RMS(OBS, PRED)" C 94 1.179 1
80 1 14 1 "RMS(OBS, PRED)" CA 102 1.339 1
81 1 14 1 "RMS(OBS, PRED)" CB 97 1.497 1
82 1 14 1 "RMS(OBS, PRED)" H 94 0.550 1
83 1 14 1 "RMS(OBS, PRED)" HA 107 0.335 1
84 1 14 1 "RMS(OBS, PRED)" N 94 3.481 1
85 1 15 1 "RMS(OBS, PRED)" C 94 1.151 1
86 1 15 1 "RMS(OBS, PRED)" CA 102 1.446 1
87 1 15 1 "RMS(OBS, PRED)" CB 97 1.508 1
88 1 15 1 "RMS(OBS, PRED)" H 94 0.576 1
89 1 15 1 "RMS(OBS, PRED)" HA 107 0.380 1
90 1 15 1 "RMS(OBS, PRED)" N 94 3.216 1
91 1 16 1 "RMS(OBS, PRED)" C 94 1.125 1
92 1 16 1 "RMS(OBS, PRED)" CA 102 1.356 1
93 1 16 1 "RMS(OBS, PRED)" CB 97 1.589 1
94 1 16 1 "RMS(OBS, PRED)" H 94 0.547 1
95 1 16 1 "RMS(OBS, PRED)" HA 107 0.341 1
96 1 16 1 "RMS(OBS, PRED)" N 94 3.659 1
97 1 17 1 "RMS(OBS, PRED)" C 94 1.113 1
98 1 17 1 "RMS(OBS, PRED)" CA 102 1.353 1
99 1 17 1 "RMS(OBS, PRED)" CB 97 1.570 1
100 1 17 1 "RMS(OBS, PRED)" H 94 0.547 1
101 1 17 1 "RMS(OBS, PRED)" HA 107 0.367 1
102 1 17 1 "RMS(OBS, PRED)" N 94 3.352 1
103 1 18 1 "RMS(OBS, PRED)" C 94 1.151 1
104 1 18 1 "RMS(OBS, PRED)" CA 102 1.326 1
105 1 18 1 "RMS(OBS, PRED)" CB 97 1.603 1
106 1 18 1 "RMS(OBS, PRED)" H 94 0.546 1
107 1 18 1 "RMS(OBS, PRED)" HA 107 0.339 1
108 1 18 1 "RMS(OBS, PRED)" N 94 3.608 1
109 1 19 1 "RMS(OBS, PRED)" C 94 1.084 1
110 1 19 1 "RMS(OBS, PRED)" CA 102 1.366 1
111 1 19 1 "RMS(OBS, PRED)" CB 97 1.574 1
112 1 19 1 "RMS(OBS, PRED)" H 94 0.565 1
113 1 19 1 "RMS(OBS, PRED)" HA 107 0.356 1
114 1 19 1 "RMS(OBS, PRED)" N 94 3.534 1
115 1 20 1 "RMS(OBS, PRED)" C 94 1.122 1
116 1 20 1 "RMS(OBS, PRED)" CA 102 1.454 1
117 1 20 1 "RMS(OBS, PRED)" CB 97 1.471 1
118 1 20 1 "RMS(OBS, PRED)" H 94 0.576 1
119 1 20 1 "RMS(OBS, PRED)" HA 107 0.339 1
120 1 20 1 "RMS(OBS, PRED)" N 94 3.348 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 2 2 GLU HA H 2 4.372 4.628 -0.256 2
1 6 . 1 1 A 2 2 GLU C C 2 175.830 175.853 -0.023 2
1 7 . 1 1 A 2 2 GLU CA C 2 56.340 56.253 0.087 2
1 8 . 1 1 A 2 2 GLU CB C 2 30.550 32.016 -1.466 2
1 10 . 1 1 A 3 3 MET H H 3 8.529 8.449 0.080 2
1 11 . 1 1 A 3 3 MET HA H 3 4.534 4.717 -0.183 2
1 19 . 1 1 A 3 3 MET C C 3 175.350 175.864 -0.514 2
1 20 . 1 1 A 3 3 MET CA C 3 54.950 55.131 -0.181 2
1 21 . 1 1 A 3 3 MET CB C 3 33.150 33.632 -0.482 2
1 24 . 1 1 A 3 3 MET N N 3 122.340 120.314 2.026 2
1 25 . 1 1 A 4 4 LEU H H 4 8.265 8.107 0.158 2
1 26 . 1 1 A 4 4 LEU HA H 4 4.579 4.470 0.109 2
1 36 . 1 1 A 4 4 LEU CA C 4 52.620 52.257 0.363 2
1 37 . 1 1 A 4 4 LEU CB C 4 41.780 42.454 -0.674 2
1 41 . 1 1 A 4 4 LEU N N 4 125.280 122.555 2.725 2
1 42 . 1 1 A 5 5 PRO HA H 5 4.268 4.628 -0.360 2
1 49 . 1 1 A 5 5 PRO C C 5 175.390 175.284 0.106 2
1 50 . 1 1 A 5 5 PRO CA C 5 62.620 63.205 -0.585 2
1 51 . 1 1 A 5 5 PRO CB C 5 32.300 32.234 0.066 2
1 54 . 1 1 A 6 6 ASN H H 6 6.913 8.935 -2.022 2
1 55 . 1 1 A 6 6 ASN HA H 6 4.460 5.096 -0.636 2
1 60 . 1 1 A 6 6 ASN C C 6 172.390 175.211 -2.821 2
1 61 . 1 1 A 6 6 ASN CA C 6 52.920 52.593 0.327 2
1 62 . 1 1 A 6 6 ASN CB C 6 41.920 41.728 0.192 2
1 63 . 1 1 A 6 6 ASN N N 6 117.610 120.499 -2.889 2
1 65 . 1 1 A 7 7 GLN H H 7 8.465 8.752 -0.286 2
1 66 . 1 1 A 7 7 GLN HA H 7 4.164 4.245 -0.081 2
1 73 . 1 1 A 7 7 GLN C C 7 175.020 175.564 -0.544 2
1 74 . 1 1 A 7 7 GLN CA C 7 58.100 57.788 0.312 2
1 75 . 1 1 A 7 7 GLN CB C 7 29.270 28.999 0.271 2
1 77 . 1 1 A 7 7 GLN N N 7 116.430 122.348 -5.918 2
1 79 . 1 1 A 8 8 THR H H 8 8.374 7.815 0.559 2
1 80 . 1 1 A 8 8 THR HA H 8 5.399 5.393 0.006 2
1 85 . 1 1 A 8 8 THR C C 8 173.700 174.211 -0.511 2
1 86 . 1 1 A 8 8 THR CA C 8 62.380 61.527 0.853 2
1 87 . 1 1 A 8 8 THR CB C 8 69.100 72.269 -3.169 2
1 89 . 1 1 A 8 8 THR N N 8 118.220 112.506 5.714 2
1 90 . 1 1 A 9 9 ILE H H 9 8.794 9.325 -0.531 2
1 91 . 1 1 A 9 9 ILE HA H 9 5.085 5.424 -0.339 2
1 101 . 1 1 A 9 9 ILE C C 9 173.490 173.894 -0.405 2
1 102 . 1 1 A 9 9 ILE CA C 9 59.000 59.325 -0.325 2
1 103 . 1 1 A 9 9 ILE CB C 9 39.710 42.324 -2.614 2
1 107 . 1 1 A 9 9 ILE N N 9 118.250 120.888 -2.638 2
1 108 . 1 1 A 10 10 TYR H H 10 9.384 9.229 0.155 2
1 109 . 1 1 A 10 10 TYR HA H 10 5.032 5.192 -0.160 2
1 116 . 1 1 A 10 10 TYR C C 10 173.920 173.577 0.343 2
1 117 . 1 1 A 10 10 TYR CA C 10 55.240 55.985 -0.745 2
1 118 . 1 1 A 10 10 TYR CB C 10 40.700 41.772 -1.072 2
1 123 . 1 1 A 10 10 TYR N N 10 124.310 124.636 -0.326 2
1 124 . 1 1 A 11 11 ILE H H 11 9.000 9.026 -0.026 2
1 125 . 1 1 A 11 11 ILE HA H 11 4.629 4.697 -0.068 2
1 135 . 1 1 A 11 11 ILE C C 11 180.280 174.790 5.490 2
1 136 . 1 1 A 11 11 ILE CA C 11 60.050 59.528 0.522 2
1 137 . 1 1 A 11 11 ILE CB C 11 40.350 39.981 0.369 2
1 141 . 1 1 A 11 11 ILE N N 11 126.640 127.476 -0.836 2
1 142 . 1 1 A 12 12 ASN H H 12 8.844 8.878 -0.034 2
1 143 . 1 1 A 12 12 ASN HA H 12 5.267 4.818 0.449 2
1 148 . 1 1 A 12 12 ASN C C 12 174.640 174.688 -0.048 2
1 149 . 1 1 A 12 12 ASN CA C 12 50.860 51.633 -0.773 2
1 150 . 1 1 A 12 12 ASN CB C 12 41.400 40.930 0.470 2
1 151 . 1 1 A 12 12 ASN N N 12 123.520 123.798 -0.278 2
1 153 . 1 1 A 13 13 ASN H H 13 8.689 8.424 0.265 2
1 154 . 1 1 A 13 13 ASN HA H 13 4.456 4.586 -0.130 2
1 159 . 1 1 A 13 13 ASN C C 13 176.140 174.607 1.533 2
1 160 . 1 1 A 13 13 ASN CA C 13 53.920 53.159 0.761 2
1 161 . 1 1 A 13 13 ASN CB C 13 39.360 38.577 0.783 2
1 162 . 1 1 A 13 13 ASN N N 13 115.910 119.081 -3.171 2
1 164 . 1 1 A 14 14 LEU H H 14 8.221 7.818 0.403 2
1 165 . 1 1 A 14 14 LEU HA H 14 4.350 4.287 0.063 2
1 175 . 1 1 A 14 14 LEU C C 14 177.880 176.174 1.706 2
1 176 . 1 1 A 14 14 LEU CA C 14 54.000 55.297 -1.297 2
1 177 . 1 1 A 14 14 LEU CB C 14 42.830 42.961 -0.131 2
1 181 . 1 1 A 14 14 LEU N N 14 116.310 121.580 -5.270 2
1 182 . 1 1 A 15 15 ASN H H 15 9.226 8.702 0.524 2
1 183 . 1 1 A 15 15 ASN HA H 15 4.225 4.816 -0.591 2
1 188 . 1 1 A 15 15 ASN C C 15 176.150 176.677 -0.527 2
1 189 . 1 1 A 15 15 ASN CA C 15 54.210 53.195 1.015 2
1 190 . 1 1 A 15 15 ASN CB C 15 38.050 39.262 -1.212 2
1 191 . 1 1 A 15 15 ASN N N 15 120.300 123.573 -3.273 2
1 193 . 1 1 A 16 16 GLU H H 16 9.234 8.831 0.403 2
1 194 . 1 1 A 16 16 GLU HA H 16 4.110 4.086 0.024 2
1 199 . 1 1 A 16 16 GLU C C 16 176.510 178.104 -1.594 2
1 200 . 1 1 A 16 16 GLU CA C 16 57.800 58.773 -0.973 2
1 201 . 1 1 A 16 16 GLU CB C 16 29.300 29.061 0.239 2
1 203 . 1 1 A 16 16 GLU N N 16 128.160 126.114 2.046 2
1 204 . 1 1 A 17 17 LYS H H 17 8.421 8.174 0.247 2
1 205 . 1 1 A 17 17 LYS HA H 17 4.170 4.124 0.046 2
1 214 . 1 1 A 17 17 LYS C C 17 176.700 176.888 -0.188 2
1 215 . 1 1 A 17 17 LYS CA C 17 56.750 58.762 -2.012 2
1 216 . 1 1 A 17 17 LYS CB C 17 32.370 31.905 0.465 2
1 220 . 1 1 A 17 17 LYS N N 17 118.450 117.789 0.661 2
1 221 . 1 1 A 18 18 ILE H H 18 6.751 7.352 -0.601 2
1 222 . 1 1 A 18 18 ILE HA H 18 3.830 3.863 -0.033 2
1 232 . 1 1 A 18 18 ILE C C 18 176.560 175.758 0.802 2
1 233 . 1 1 A 18 18 ILE CA C 18 58.640 61.786 -3.146 2
1 234 . 1 1 A 18 18 ILE CB C 18 35.940 37.923 -1.983 2
1 238 . 1 1 A 18 18 ILE N N 18 118.790 122.210 -3.420 2
1 239 . 1 1 A 19 19 LYS H H 19 8.815 8.642 0.173 2
1 240 . 1 1 A 19 19 LYS HA H 19 4.189 4.304 -0.115 2
1 249 . 1 1 A 19 19 LYS C C 19 178.340 177.679 0.661 2
1 250 . 1 1 A 19 19 LYS CA C 19 57.250 56.059 1.191 2
1 251 . 1 1 A 19 19 LYS CB C 19 32.800 33.630 -0.830 2
1 255 . 1 1 A 19 19 LYS N N 19 129.030 127.728 1.302 2
1 256 . 1 1 A 20 20 LYS H H 20 9.032 8.982 0.050 2
1 257 . 1 1 A 20 20 LYS HA H 20 3.854 3.906 -0.052 2
1 266 . 1 1 A 20 20 LYS C C 20 178.390 178.087 0.303 2
1 267 . 1 1 A 20 20 LYS CA C 20 59.740 60.170 -0.430 2
1 268 . 1 1 A 20 20 LYS CB C 20 31.390 32.089 -0.698 2
1 272 . 1 1 A 20 20 LYS N N 20 123.440 124.995 -1.555 2
1 273 . 1 1 A 21 21 GLU H H 21 9.341 8.051 1.290 2
1 274 . 1 1 A 21 21 GLU HA H 21 4.074 4.085 -0.011 2
1 279 . 1 1 A 21 21 GLU C C 21 179.120 179.331 -0.211 2
1 280 . 1 1 A 21 21 GLU CA C 21 60.270 59.392 0.878 2
1 281 . 1 1 A 21 21 GLU CB C 21 28.840 29.073 -0.233 2
1 283 . 1 1 A 21 21 GLU N N 21 117.890 118.626 -0.736 2
1 284 . 1 1 A 22 22 GLU H H 22 6.994 8.093 -1.099 2
1 285 . 1 1 A 22 22 GLU HA H 22 4.166 4.095 0.071 2
1 290 . 1 1 A 22 22 GLU C C 22 178.200 179.089 -0.889 2
1 291 . 1 1 A 22 22 GLU CA C 22 58.530 59.108 -0.578 2
1 292 . 1 1 A 22 22 GLU CB C 22 29.180 29.698 -0.518 2
1 294 . 1 1 A 22 22 GLU N N 22 119.810 120.208 -0.398 2
1 295 . 1 1 A 23 23 LEU H H 23 8.462 8.432 0.030 2
1 296 . 1 1 A 23 23 LEU HA H 23 3.981 4.219 -0.238 2
1 306 . 1 1 A 23 23 LEU C C 23 178.780 178.523 0.257 2
1 307 . 1 1 A 23 23 LEU CA C 23 58.840 58.283 0.556 2
1 308 . 1 1 A 23 23 LEU CB C 23 42.420 41.906 0.514 2
1 312 . 1 1 A 23 23 LEU N N 23 121.220 121.761 -0.541 2
1 313 . 1 1 A 24 24 LYS H H 24 8.411 8.393 0.018 2
1 314 . 1 1 A 24 24 LYS HA H 24 3.808 3.901 -0.093 2
1 323 . 1 1 A 24 24 LYS C C 24 178.200 179.111 -0.911 2
1 324 . 1 1 A 24 24 LYS CA C 24 61.500 60.009 1.491 2
1 325 . 1 1 A 24 24 LYS CB C 24 32.500 32.367 0.133 2
1 329 . 1 1 A 24 24 LYS N N 24 116.620 118.798 -2.178 2
1 330 . 1 1 A 25 25 LYS H H 25 7.592 8.141 -0.549 2
1 331 . 1 1 A 25 25 LYS HA H 25 4.181 4.160 0.021 2
1 340 . 1 1 A 25 25 LYS C C 25 180.280 179.275 1.005 2
1 341 . 1 1 A 25 25 LYS CA C 25 60.140 59.382 0.758 2
1 342 . 1 1 A 25 25 LYS CB C 25 32.690 32.244 0.446 2
1 346 . 1 1 A 25 25 LYS N N 25 118.830 120.010 -1.180 2
1 347 . 1 1 A 26 26 SER H H 26 8.845 8.481 0.364 2
1 348 . 1 1 A 26 26 SER HA H 26 4.570 4.208 0.362 2
1 351 . 1 1 A 26 26 SER C C 26 176.880 176.506 0.374 2
1 352 . 1 1 A 26 26 SER CA C 26 62.210 62.541 -0.331 2
1 353 . 1 1 A 26 26 SER CB C 26 63.320 63.076 0.244 2
1 354 . 1 1 A 26 26 SER N N 26 117.880 117.150 0.730 2
1 355 . 1 1 A 27 27 LEU H H 27 9.040 8.538 0.502 2
1 356 . 1 1 A 27 27 LEU HA H 27 4.190 4.138 0.052 2
1 366 . 1 1 A 27 27 LEU C C 27 179.100 178.915 0.185 2
1 367 . 1 1 A 27 27 LEU CA C 27 57.960 57.834 0.126 2
1 368 . 1 1 A 27 27 LEU CB C 27 43.030 41.893 1.137 2
1 372 . 1 1 A 27 27 LEU N N 27 122.840 121.333 1.507 2
1 373 . 1 1 A 28 28 TYR H H 28 8.535 8.499 0.036 2
1 374 . 1 1 A 28 28 TYR HA H 28 3.826 4.204 -0.378 2
1 379 . 1 1 A 28 28 TYR C C 28 178.360 178.191 0.169 2
1 380 . 1 1 A 28 28 TYR CA C 28 63.220 61.853 1.367 2
1 381 . 1 1 A 28 28 TYR CB C 28 38.320 38.225 0.095 2
1 384 . 1 1 A 28 28 TYR N N 28 121.030 118.903 2.127 2
1 385 . 1 1 A 29 29 ALA H H 29 8.009 8.253 -0.244 2
1 386 . 1 1 A 29 29 ALA HA H 29 3.364 4.184 -0.820 2
1 390 . 1 1 A 29 29 ALA CA C 29 55.420 54.861 0.559 2
1 391 . 1 1 A 29 29 ALA CB C 29 18.920 18.908 0.012 2
1 392 . 1 1 A 29 29 ALA N N 29 120.570 121.788 -1.218 2
1 393 . 1 1 A 30 30 ILE HA H 30 4.048 4.359 -0.311 2
1 403 . 1 1 A 30 30 ILE C C 30 177.270 177.765 -0.495 2
1 404 . 1 1 A 30 30 ILE CA C 30 63.380 62.139 1.241 2
1 405 . 1 1 A 30 30 ILE CB C 30 38.850 39.546 -0.696 2
1 409 . 1 1 A 31 31 PHE H H 31 8.446 8.607 -0.161 2
1 410 . 1 1 A 31 31 PHE HA H 31 4.900 4.475 0.425 2
1 415 . 1 1 A 31 31 PHE C C 31 177.820 178.314 -0.494 2
1 416 . 1 1 A 31 31 PHE CA C 31 62.380 60.346 2.034 2
1 417 . 1 1 A 31 31 PHE CB C 31 38.900 38.087 0.813 2
1 418 . 1 1 A 31 31 PHE N N 31 115.770 121.266 -5.496 2
1 419 . 1 1 A 32 32 SER H H 32 8.392 8.114 0.278 2
1 420 . 1 1 A 32 32 SER HA H 32 4.365 4.430 -0.065 2
1 423 . 1 1 A 32 32 SER C C 32 176.140 176.373 -0.233 2
1 424 . 1 1 A 32 32 SER CA C 32 61.680 62.077 -0.397 2
1 425 . 1 1 A 32 32 SER CB C 32 62.460 62.918 -0.458 2
1 426 . 1 1 A 32 32 SER N N 32 116.890 115.704 1.186 2
1 427 . 1 1 A 33 33 GLN H H 33 7.310 7.867 -0.557 2
1 428 . 1 1 A 33 33 GLN HA H 33 4.059 3.983 0.076 2
1 435 . 1 1 A 33 33 GLN C C 33 176.330 176.540 -0.210 2
1 436 . 1 1 A 33 33 GLN CA C 33 57.220 57.509 -0.289 2
1 437 . 1 1 A 33 33 GLN CB C 33 28.040 28.266 -0.226 2
1 439 . 1 1 A 33 33 GLN N N 33 117.530 119.527 -1.997 2
1 441 . 1 1 A 34 34 PHE H H 34 7.626 7.715 -0.089 2
1 442 . 1 1 A 34 34 PHE HA H 34 4.435 4.639 -0.204 2
1 447 . 1 1 A 34 34 PHE C C 34 175.590 175.879 -0.289 2
1 448 . 1 1 A 34 34 PHE CA C 34 59.410 58.305 1.105 2
1 449 . 1 1 A 34 34 PHE CB C 34 39.380 40.457 -1.077 2
1 452 . 1 1 A 34 34 PHE N N 34 116.090 115.675 0.415 2
1 453 . 1 1 A 35 35 GLY H H 35 7.595 7.615 -0.020 2
1 454 . 1 1 A 35 35 GLY HA2 H 35 3.960 4.084 -0.124 2
1 455 . 1 1 A 35 35 GLY HA3 H 35 4.612 4.149 0.463 2
1 456 . 1 1 A 35 35 GLY C C 35 170.890 173.881 -2.991 2
1 457 . 1 1 A 35 35 GLY CA C 35 44.160 45.410 -1.250 2
1 458 . 1 1 A 35 35 GLY N N 35 107.470 105.196 2.274 2
1 459 . 1 1 A 36 36 GLN H H 36 8.404 8.586 -0.182 2
1 460 . 1 1 A 36 36 GLN HA H 36 4.275 4.215 0.060 2
1 467 . 1 1 A 36 36 GLN C C 36 176.650 175.574 1.076 2
1 468 . 1 1 A 36 36 GLN CA C 36 57.180 56.562 0.618 2
1 469 . 1 1 A 36 36 GLN CB C 36 29.360 28.266 1.094 2
1 471 . 1 1 A 36 36 GLN N N 36 116.620 121.177 -4.557 2
1 473 . 1 1 A 37 37 ILE H H 37 9.009 8.421 0.588 2
1 474 . 1 1 A 37 37 ILE HA H 37 4.068 3.697 0.371 2
1 484 . 1 1 A 37 37 ILE C C 37 176.530 175.857 0.673 2
1 485 . 1 1 A 37 37 ILE CA C 37 61.270 62.117 -0.847 2
1 486 . 1 1 A 37 37 ILE CB C 37 40.600 37.987 2.613 2
1 490 . 1 1 A 37 37 ILE N N 37 129.370 127.600 1.770 2
1 491 . 1 1 A 38 38 LEU H H 38 9.472 9.333 0.139 2
1 492 . 1 1 A 38 38 LEU HA H 38 4.291 4.561 -0.270 2
1 502 . 1 1 A 38 38 LEU C C 38 176.900 175.379 1.522 2
1 503 . 1 1 A 38 38 LEU CA C 38 56.520 55.941 0.579 2
1 504 . 1 1 A 38 38 LEU CB C 38 42.030 44.925 -2.895 2
1 508 . 1 1 A 38 38 LEU N N 38 128.180 128.082 0.098 2
1 509 . 1 1 A 39 39 ASP H H 39 7.493 7.692 -0.199 2
1 510 . 1 1 A 39 39 ASP HA H 39 4.715 4.972 -0.257 2
1 513 . 1 1 A 39 39 ASP C C 39 173.560 173.737 -0.177 2
1 514 . 1 1 A 39 39 ASP CA C 39 53.510 53.465 0.045 2
1 515 . 1 1 A 39 39 ASP CB C 39 44.160 43.898 0.262 2
1 516 . 1 1 A 39 39 ASP N N 39 114.640 117.294 -2.654 2
1 517 . 1 1 A 40 40 ILE H H 40 8.537 8.523 0.014 2
1 518 . 1 1 A 40 40 ILE HA H 40 4.722 4.812 -0.090 2
1 528 . 1 1 A 40 40 ILE C C 40 174.090 174.900 -0.810 2
1 529 . 1 1 A 40 40 ILE CA C 40 61.060 59.921 1.139 2
1 530 . 1 1 A 40 40 ILE CB C 40 41.220 42.216 -0.996 2
1 534 . 1 1 A 40 40 ILE N N 40 119.670 121.945 -2.275 2
1 535 . 1 1 A 41 41 VAL H H 41 8.807 8.845 -0.038 2
1 536 . 1 1 A 41 41 VAL HA H 41 4.195 4.816 -0.621 2
1 544 . 1 1 A 41 41 VAL C C 41 174.470 174.577 -0.107 2
1 545 . 1 1 A 41 41 VAL CA C 41 61.020 61.372 -0.352 2
1 546 . 1 1 A 41 41 VAL CB C 41 34.160 34.188 -0.028 2
1 549 . 1 1 A 41 41 VAL N N 41 127.000 126.192 0.808 2
1 550 . 1 1 A 42 42 ALA H H 42 8.708 8.883 -0.175 2
1 551 . 1 1 A 42 42 ALA HA H 42 4.796 5.129 -0.333 2
1 555 . 1 1 A 42 42 ALA C C 42 175.210 175.519 -0.309 2
1 556 . 1 1 A 42 42 ALA CA C 42 51.430 51.014 0.416 2
1 557 . 1 1 A 42 42 ALA CB C 42 19.780 23.961 -4.181 2
1 558 . 1 1 A 42 42 ALA N N 42 130.100 128.351 1.749 2
1 559 . 1 1 A 43 43 LEU H H 43 8.224 8.751 -0.527 2
1 560 . 1 1 A 43 43 LEU HA H 43 4.575 4.934 -0.359 2
1 570 . 1 1 A 43 43 LEU CA C 43 54.620 53.519 1.101 2
1 571 . 1 1 A 43 43 LEU CB C 43 43.640 45.633 -1.992 2
1 575 . 1 1 A 43 43 LEU N N 43 122.270 120.118 2.152 2
1 576 . 1 1 A 44 44 LYS HA H 44 4.570 4.187 0.383 2
1 585 . 1 1 A 44 44 LYS CA C 44 56.000 58.152 -2.152 2
1 586 . 1 1 A 44 44 LYS CB C 44 32.940 32.588 0.352 2
1 590 . 1 1 A 45 45 THR H H 45 7.706 7.488 0.218 2
1 591 . 1 1 A 45 45 THR HA H 45 4.494 4.213 0.281 2
1 596 . 1 1 A 45 45 THR CA C 45 60.500 62.154 -1.654 2
1 597 . 1 1 A 45 45 THR CB C 45 70.450 69.881 0.569 2
1 599 . 1 1 A 45 45 THR N N 45 113.650 112.455 1.195 2
1 600 . 1 1 A 46 46 LEU HA H 46 4.142 4.010 0.132 2
1 610 . 1 1 A 46 46 LEU C C 46 179.030 178.207 0.823 2
1 611 . 1 1 A 46 46 LEU CA C 46 57.630 58.584 -0.954 2
1 612 . 1 1 A 46 46 LEU CB C 46 42.020 41.389 0.631 2
1 616 . 1 1 A 47 47 LYS H H 47 8.325 8.301 0.024 2
1 617 . 1 1 A 47 47 LYS HA H 47 4.139 4.115 0.024 2
1 626 . 1 1 A 47 47 LYS C C 47 176.700 177.400 -0.700 2
1 627 . 1 1 A 47 47 LYS CA C 47 57.800 58.696 -0.896 2
1 628 . 1 1 A 47 47 LYS CB C 47 32.440 32.002 0.438 2
1 632 . 1 1 A 47 47 LYS N N 47 116.870 118.684 -1.814 2
1 633 . 1 1 A 48 48 MET H H 48 7.649 7.899 -0.250 2
1 634 . 1 1 A 48 48 MET HA H 48 4.581 4.792 -0.211 2
1 642 . 1 1 A 48 48 MET C C 48 175.550 176.501 -0.951 2
1 643 . 1 1 A 48 48 MET CA C 48 54.970 55.026 -0.056 2
1 644 . 1 1 A 48 48 MET CB C 48 32.770 33.705 -0.935 2
1 647 . 1 1 A 48 48 MET N N 48 116.090 116.948 -0.858 2
1 648 . 1 1 A 49 49 ARG H H 49 7.653 7.983 -0.330 2
1 649 . 1 1 A 49 49 ARG HA H 49 4.377 4.384 -0.007 2
1 656 . 1 1 A 49 49 ARG C C 49 177.450 177.974 -0.524 2
1 657 . 1 1 A 49 49 ARG CA C 49 57.250 57.541 -0.291 2
1 658 . 1 1 A 49 49 ARG CB C 49 30.400 31.313 -0.913 2
1 661 . 1 1 A 49 49 ARG N N 49 119.580 120.566 -0.985 2
1 662 . 1 1 A 50 50 GLY H H 50 9.177 7.987 1.190 2
1 663 . 1 1 A 50 50 GLY HA2 H 50 3.960 3.982 -0.023 2
1 664 . 1 1 A 50 50 GLY HA3 H 50 4.107 3.988 0.119 2
1 665 . 1 1 A 50 50 GLY C C 50 172.960 173.746 -0.786 2
1 666 . 1 1 A 50 50 GLY CA C 50 46.140 45.492 0.648 2
1 667 . 1 1 A 50 50 GLY N N 50 111.640 106.817 4.823 2
1 668 . 1 1 A 51 51 GLN H H 51 7.853 7.651 0.202 2
1 669 . 1 1 A 51 51 GLN HA H 51 5.516 4.817 0.699 2
1 675 . 1 1 A 51 51 GLN C C 51 174.800 173.934 0.866 2
1 676 . 1 1 A 51 51 GLN CA C 51 54.160 53.988 0.172 2
1 677 . 1 1 A 51 51 GLN CB C 51 34.330 32.676 1.654 2
1 679 . 1 1 A 51 51 GLN N N 51 117.000 117.222 -0.222 2
1 681 . 1 1 A 52 52 ALA H H 52 8.765 8.309 0.456 2
1 682 . 1 1 A 52 52 ALA HA H 52 5.098 4.915 0.183 2
1 686 . 1 1 A 52 52 ALA C C 52 174.820 175.335 -0.515 2
1 687 . 1 1 A 52 52 ALA CA C 52 51.170 51.273 -0.103 2
1 688 . 1 1 A 52 52 ALA CB C 52 23.350 23.568 -0.218 2
1 689 . 1 1 A 52 52 ALA N N 52 121.050 121.136 -0.086 2
1 690 . 1 1 A 53 53 PHE H H 53 8.840 8.906 -0.066 2
1 691 . 1 1 A 53 53 PHE HA H 53 5.615 5.608 0.007 2
1 696 . 1 1 A 53 53 PHE C C 53 174.870 174.520 0.350 2
1 697 . 1 1 A 53 53 PHE CA C 53 55.770 56.482 -0.712 2
1 698 . 1 1 A 53 53 PHE CB C 53 41.530 43.632 -2.102 2
1 701 . 1 1 A 53 53 PHE N N 53 115.860 116.523 -0.663 2
1 702 . 1 1 A 54 54 VAL H H 54 8.766 8.741 0.025 2
1 703 . 1 1 A 54 54 VAL HA H 54 4.169 4.689 -0.520 2
1 711 . 1 1 A 54 54 VAL C C 54 173.330 173.606 -0.276 2
1 712 . 1 1 A 54 54 VAL CA C 54 61.920 60.132 1.788 2
1 713 . 1 1 A 54 54 VAL CB C 54 32.860 35.459 -2.599 2
1 716 . 1 1 A 54 54 VAL N N 54 121.920 118.789 3.131 2
1 717 . 1 1 A 55 55 ILE H H 55 8.319 9.067 -0.748 2
1 718 . 1 1 A 55 55 ILE HA H 55 4.512 5.252 -0.740 2
1 728 . 1 1 A 55 55 ILE C C 55 173.920 174.746 -0.826 2
1 729 . 1 1 A 55 55 ILE CA C 55 60.880 60.011 0.869 2
1 730 . 1 1 A 55 55 ILE CB C 55 39.130 40.071 -0.941 2
1 734 . 1 1 A 55 55 ILE N N 55 126.350 127.376 -1.026 2
1 735 . 1 1 A 56 56 PHE H H 56 9.009 9.093 -0.084 2
1 736 . 1 1 A 56 56 PHE HA H 56 4.889 4.956 -0.067 2
1 741 . 1 1 A 56 56 PHE C C 56 175.180 176.275 -1.095 2
1 742 . 1 1 A 56 56 PHE CA C 56 59.030 56.948 2.082 2
1 743 . 1 1 A 56 56 PHE CB C 56 40.320 43.056 -2.736 2
1 744 . 1 1 A 56 56 PHE N N 56 126.440 125.371 1.070 2
1 745 . 1 1 A 57 57 LYS H H 57 8.191 8.830 -0.639 2
1 746 . 1 1 A 57 57 LYS HA H 57 3.969 4.167 -0.198 2
1 755 . 1 1 A 57 57 LYS C C 57 176.140 176.343 -0.203 2
1 756 . 1 1 A 57 57 LYS CA C 57 59.290 58.650 0.640 2
1 757 . 1 1 A 57 57 LYS CB C 57 33.850 32.774 1.076 2
1 761 . 1 1 A 57 57 LYS N N 57 119.130 121.511 -2.381 2
1 762 . 1 1 A 58 58 GLU H H 58 8.614 7.974 0.640 2
1 763 . 1 1 A 58 58 GLU HA H 58 4.850 4.734 0.116 2
1 768 . 1 1 A 58 58 GLU C C 58 177.130 176.399 0.731 2
1 769 . 1 1 A 58 58 GLU CA C 58 54.130 55.382 -1.252 2
1 770 . 1 1 A 58 58 GLU CB C 58 32.230 33.415 -1.185 2
1 772 . 1 1 A 58 58 GLU N N 58 114.350 117.211 -2.861 2
1 773 . 1 1 A 59 59 ILE H H 59 8.825 8.687 0.138 2
1 774 . 1 1 A 59 59 ILE HA H 59 3.499 3.826 -0.327 2
1 784 . 1 1 A 59 59 ILE C C 59 177.650 178.155 -0.505 2
1 785 . 1 1 A 59 59 ILE CA C 59 65.660 64.288 1.372 2
1 786 . 1 1 A 59 59 ILE CB C 59 38.040 37.692 0.348 2
1 790 . 1 1 A 59 59 ILE N N 59 122.940 123.120 -0.180 2
1 791 . 1 1 A 60 60 GLY H H 60 8.875 8.443 0.432 2
1 792 . 1 1 A 60 60 GLY HA2 H 60 3.780 3.800 -0.020 2
1 793 . 1 1 A 60 60 GLY HA3 H 60 3.925 3.813 0.112 2
1 794 . 1 1 A 60 60 GLY C C 60 176.700 176.476 0.224 2
1 795 . 1 1 A 60 60 GLY CA C 60 47.070 47.512 -0.442 2
1 796 . 1 1 A 60 60 GLY N N 60 106.980 110.825 -3.845 2
1 797 . 1 1 A 61 61 SER H H 61 6.973 7.981 -1.008 2
1 798 . 1 1 A 61 61 SER HA H 61 4.141 4.278 -0.137 2
1 801 . 1 1 A 61 61 SER C C 61 174.060 176.184 -2.124 2
1 802 . 1 1 A 61 61 SER CA C 61 61.870 62.559 -0.689 2
1 803 . 1 1 A 61 61 SER CB C 61 63.150 62.860 0.290 2
1 804 . 1 1 A 61 61 SER N N 61 116.200 119.368 -3.167 2
1 805 . 1 1 A 62 62 ALA H H 62 6.786 8.296 -1.510 2
1 806 . 1 1 A 62 62 ALA HA H 62 3.370 3.094 0.276 2
1 810 . 1 1 A 62 62 ALA C C 62 178.960 179.214 -0.254 2
1 811 . 1 1 A 62 62 ALA CA C 62 55.370 54.894 0.477 2
1 812 . 1 1 A 62 62 ALA CB C 62 19.030 18.404 0.626 2
1 813 . 1 1 A 62 62 ALA N N 62 123.660 123.767 -0.107 2
1 814 . 1 1 A 63 63 SER H H 63 8.379 8.086 0.293 2
1 815 . 1 1 A 63 63 SER HA H 63 4.551 4.121 0.430 2
1 818 . 1 1 A 63 63 SER C C 63 177.040 176.168 0.872 2
1 819 . 1 1 A 63 63 SER CA C 63 61.000 61.632 -0.632 2
1 820 . 1 1 A 63 63 SER CB C 63 63.090 62.789 0.301 2
1 821 . 1 1 A 63 63 SER N N 63 111.560 112.943 -1.383 2
1 822 . 1 1 A 64 64 ASN H H 64 7.737 8.340 -0.603 2
1 823 . 1 1 A 64 64 ASN HA H 64 4.434 4.367 0.067 2
1 828 . 1 1 A 64 64 ASN C C 64 177.490 177.176 0.314 2
1 829 . 1 1 A 64 64 ASN CA C 64 55.410 56.323 -0.913 2
1 830 . 1 1 A 64 64 ASN CB C 64 37.930 38.774 -0.844 2
1 831 . 1 1 A 64 64 ASN N N 64 120.200 120.240 -0.040 2
1 833 . 1 1 A 65 65 ALA H H 65 8.085 7.895 0.190 2
1 834 . 1 1 A 65 65 ALA HA H 65 4.864 3.972 0.892 2
1 838 . 1 1 A 65 65 ALA C C 65 178.180 179.418 -1.238 2
1 839 . 1 1 A 65 65 ALA CA C 65 54.700 54.986 -0.286 2
1 840 . 1 1 A 65 65 ALA CB C 65 19.950 18.070 1.880 2
1 841 . 1 1 A 65 65 ALA N N 65 125.150 121.748 3.402 2
1 842 . 1 1 A 66 66 LEU H H 66 8.083 8.061 0.022 2
1 843 . 1 1 A 66 66 LEU HA H 66 3.560 4.073 -0.513 2
1 853 . 1 1 A 66 66 LEU C C 66 177.650 178.391 -0.741 2
1 854 . 1 1 A 66 66 LEU CA C 66 59.540 58.283 1.257 2
1 855 . 1 1 A 66 66 LEU CB C 66 42.020 41.592 0.428 2
1 859 . 1 1 A 66 66 LEU N N 66 118.670 119.570 -0.900 2
1 860 . 1 1 A 67 67 ARG H H 67 7.620 8.347 -0.726 2
1 861 . 1 1 A 67 67 ARG HA H 67 3.939 3.902 0.037 2
1 868 . 1 1 A 67 67 ARG C C 67 178.960 178.824 0.136 2
1 869 . 1 1 A 67 67 ARG CA C 67 58.860 59.376 -0.516 2
1 870 . 1 1 A 67 67 ARG CB C 67 30.570 29.717 0.853 2
1 873 . 1 1 A 67 67 ARG N N 67 114.570 118.752 -4.182 2
1 874 . 1 1 A 68 68 THR H H 68 7.850 8.035 -0.185 2
1 875 . 1 1 A 68 68 THR HA H 68 4.040 3.743 0.297 2
1 880 . 1 1 A 68 68 THR C C 68 175.960 175.545 0.415 2
1 881 . 1 1 A 68 68 THR CA C 68 66.160 66.313 -0.153 2
1 882 . 1 1 A 68 68 THR CB C 68 69.260 67.892 1.368 2
1 884 . 1 1 A 68 68 THR N N 68 112.630 116.987 -4.357 2
1 885 . 1 1 A 69 69 MET H H 69 7.934 7.777 0.157 2
1 886 . 1 1 A 69 69 MET HA H 69 4.734 4.267 0.467 2
1 894 . 1 1 A 69 69 MET C C 69 175.820 175.940 -0.120 2
1 895 . 1 1 A 69 69 MET CA C 69 53.560 54.818 -1.258 2
1 896 . 1 1 A 69 69 MET CB C 69 29.730 31.704 -1.974 2
1 899 . 1 1 A 69 69 MET N N 69 115.080 116.105 -1.025 2
1 900 . 1 1 A 70 70 GLN H H 70 7.003 7.490 -0.487 2
1 901 . 1 1 A 70 70 GLN HA H 70 4.043 3.995 0.048 2
1 908 . 1 1 A 70 70 GLN C C 70 178.020 177.176 0.844 2
1 909 . 1 1 A 70 70 GLN CA C 70 57.710 57.948 -0.238 2
1 910 . 1 1 A 70 70 GLN CB C 70 30.080 28.322 1.758 2
1 912 . 1 1 A 70 70 GLN N N 70 120.730 120.069 0.661 2
1 914 . 1 1 A 71 71 GLY H H 71 8.693 8.779 -0.086 2
1 915 . 1 1 A 71 71 GLY HA2 H 71 4.230 3.908 0.323 2
1 916 . 1 1 A 71 71 GLY HA3 H 71 3.817 3.912 -0.095 2
1 917 . 1 1 A 71 71 GLY C C 71 173.290 174.239 -0.949 2
1 918 . 1 1 A 71 71 GLY CA C 71 45.960 45.771 0.189 2
1 919 . 1 1 A 71 71 GLY N N 71 118.750 114.245 4.505 2
1 920 . 1 1 A 72 72 PHE H H 72 8.426 8.151 0.275 2
1 921 . 1 1 A 72 72 PHE HA H 72 4.641 4.509 0.132 2
1 926 . 1 1 A 72 72 PHE CA C 72 56.830 57.088 -0.258 2
1 927 . 1 1 A 72 72 PHE CB C 72 40.650 39.884 0.766 2
1 928 . 1 1 A 72 72 PHE N N 72 124.640 122.049 2.591 2
1 929 . 1 1 A 73 73 PRO HA H 73 4.052 4.747 -0.695 2
1 934 . 1 1 A 73 73 PRO C C 73 174.500 176.446 -1.946 2
1 935 . 1 1 A 73 73 PRO CA C 73 62.460 62.110 0.350 2
1 936 . 1 1 A 73 73 PRO CB C 73 30.700 29.053 1.647 2
1 939 . 1 1 A 74 74 PHE H H 74 8.382 8.633 -0.251 2
1 940 . 1 1 A 74 74 PHE HA H 74 4.235 4.365 -0.130 2
1 945 . 1 1 A 74 74 PHE C C 74 175.590 174.918 0.672 2
1 946 . 1 1 A 74 74 PHE CA C 74 56.440 61.746 -5.306 2
1 947 . 1 1 A 74 74 PHE CB C 74 42.540 39.873 2.667 2
1 950 . 1 1 A 74 74 PHE N N 74 128.220 123.670 4.550 2
1 951 . 1 1 A 75 75 TYR H H 75 9.185 7.944 1.241 2
1 952 . 1 1 A 75 75 TYR HA H 75 3.764 4.927 -1.163 2
1 957 . 1 1 A 75 75 TYR C C 75 175.210 175.379 -0.169 2
1 958 . 1 1 A 75 75 TYR CA C 75 60.780 56.814 3.966 2
1 959 . 1 1 A 75 75 TYR CB C 75 36.110 41.160 -5.050 2
1 962 . 1 1 A 75 75 TYR N N 75 128.090 115.263 12.827 2
1 963 . 1 1 A 76 76 ASP H H 76 8.306 8.886 -0.580 2
1 964 . 1 1 A 76 76 ASP HA H 76 4.075 4.567 -0.492 2
1 967 . 1 1 A 76 76 ASP C C 76 175.390 175.353 0.037 2
1 968 . 1 1 A 76 76 ASP CA C 76 56.360 55.079 1.281 2
1 969 . 1 1 A 76 76 ASP CB C 76 40.510 40.617 -0.107 2
1 970 . 1 1 A 76 76 ASP N N 76 107.370 121.258 -13.888 2
1 971 . 1 1 A 77 77 LYS H H 77 7.687 7.752 -0.065 2
1 972 . 1 1 A 77 77 LYS HA H 77 5.020 4.742 0.278 2
1 981 . 1 1 A 77 77 LYS CA C 77 53.450 53.057 0.393 2
1 982 . 1 1 A 77 77 LYS CB C 77 34.800 34.189 0.611 2
1 986 . 1 1 A 77 77 LYS N N 77 118.880 119.320 -0.440 2
1 987 . 1 1 A 78 78 PRO HA H 78 4.240 4.576 -0.336 2
1 994 . 1 1 A 78 78 PRO C C 78 177.470 177.140 0.330 2
1 995 . 1 1 A 78 78 PRO CA C 78 62.310 62.867 -0.557 2
1 996 . 1 1 A 78 78 PRO CB C 78 31.690 32.161 -0.471 2
1 999 . 1 1 A 79 79 MET H H 79 8.696 8.570 0.126 2
1 1000 . 1 1 A 79 79 MET HA H 79 4.289 4.568 -0.279 2
1 1008 . 1 1 A 79 79 MET C C 79 175.960 176.068 -0.108 2
1 1009 . 1 1 A 79 79 MET CA C 79 58.600 56.593 2.007 2
1 1010 . 1 1 A 79 79 MET CB C 79 35.200 33.408 1.792 2
1 1013 . 1 1 A 79 79 MET N N 79 126.540 122.088 4.452 2
1 1014 . 1 1 A 80 80 GLN H H 80 7.779 8.535 -0.756 2
1 1015 . 1 1 A 80 80 GLN HA H 80 4.855 5.262 -0.407 2
1 1022 . 1 1 A 80 80 GLN C C 80 174.820 174.660 0.160 2
1 1023 . 1 1 A 80 80 GLN CA C 80 54.550 54.300 0.250 2
1 1024 . 1 1 A 80 80 GLN CB C 80 29.320 31.766 -2.446 2
1 1026 . 1 1 A 80 80 GLN N N 80 122.810 120.029 2.781 2
1 1028 . 1 1 A 81 81 ILE H H 81 9.682 8.966 0.716 2
1 1029 . 1 1 A 81 81 ILE HA H 81 5.010 4.995 0.015 2
1 1039 . 1 1 A 81 81 ILE C C 81 174.710 174.426 0.284 2
1 1040 . 1 1 A 81 81 ILE CA C 81 60.900 59.937 0.963 2
1 1041 . 1 1 A 81 81 ILE CB C 81 40.120 42.315 -2.195 2
1 1045 . 1 1 A 81 81 ILE N N 81 126.070 123.517 2.553 2
1 1046 . 1 1 A 82 82 ALA H H 82 9.039 8.429 0.610 2
1 1047 . 1 1 A 82 82 ALA HA H 82 4.620 5.065 -0.445 2
1 1051 . 1 1 A 82 82 ALA C C 82 176.700 175.737 0.963 2
1 1052 . 1 1 A 82 82 ALA CA C 82 50.890 50.936 -0.046 2
1 1053 . 1 1 A 82 82 ALA CB C 82 23.420 23.463 -0.043 2
1 1054 . 1 1 A 82 82 ALA N N 82 130.310 125.389 4.921 2
1 1055 . 1 1 A 83 83 TYR H H 83 8.411 8.668 -0.257 2
1 1056 . 1 1 A 83 83 TYR HA H 83 4.905 4.814 0.091 2
1 1061 . 1 1 A 83 83 TYR C C 83 176.900 175.774 1.126 2
1 1062 . 1 1 A 83 83 TYR CA C 83 59.280 57.333 1.947 2
1 1063 . 1 1 A 83 83 TYR CB C 83 39.350 39.889 -0.539 2
1 1065 . 1 1 A 83 83 TYR N N 83 118.580 119.239 -0.659 2
1 1066 . 1 1 A 84 84 SER H H 84 8.452 8.837 -0.385 2
1 1067 . 1 1 A 84 84 SER HA H 84 4.248 4.684 -0.436 2
1 1070 . 1 1 A 84 84 SER C C 84 174.220 174.579 -0.359 2
1 1071 . 1 1 A 84 84 SER CA C 84 58.560 58.995 -0.435 2
1 1072 . 1 1 A 84 84 SER CB C 84 64.100 64.335 -0.235 2
1 1073 . 1 1 A 84 84 SER N N 84 115.040 117.725 -2.685 2
1 1074 . 1 1 A 85 85 LYS H H 85 8.443 8.556 -0.114 2
1 1075 . 1 1 A 85 85 LYS HA H 85 4.275 4.516 -0.241 2
1 1080 . 1 1 A 85 85 LYS C C 85 177.080 176.680 0.400 2
1 1081 . 1 1 A 85 85 LYS CA C 85 56.960 56.233 0.727 2
1 1082 . 1 1 A 85 85 LYS CB C 85 33.150 33.714 -0.564 2
1 1086 . 1 1 A 85 85 LYS N N 85 123.610 122.864 0.746 2
1 1087 . 1 1 A 86 86 SER H H 86 8.204 8.194 0.010 2
1 1088 . 1 1 A 86 86 SER HA H 86 4.335 4.442 -0.107 2
1 1090 . 1 1 A 86 86 SER C C 86 174.080 174.056 0.024 2
1 1091 . 1 1 A 86 86 SER CA C 86 58.400 59.241 -0.841 2
1 1092 . 1 1 A 86 86 SER CB C 86 63.750 63.681 0.069 2
1 1093 . 1 1 A 86 86 SER N N 86 115.780 115.442 0.338 2
1 1094 . 1 1 A 87 87 ASP H H 87 8.435 8.351 0.084 2
1 1095 . 1 1 A 87 87 ASP HA H 87 4.578 4.584 -0.006 2
1 1098 . 1 1 A 87 87 ASP C C 87 176.630 176.899 -0.269 2
1 1099 . 1 1 A 87 87 ASP CA C 87 54.260 55.403 -1.143 2
1 1100 . 1 1 A 87 87 ASP CB C 87 40.780 42.702 -1.922 2
1 1101 . 1 1 A 87 87 ASP N N 87 121.910 123.375 -1.465 2
1 1102 . 1 1 A 88 88 SER H H 88 8.061 8.496 -0.435 2
1 1103 . 1 1 A 88 88 SER HA H 88 4.328 4.093 0.235 2
1 1106 . 1 1 A 88 88 SER C C 88 174.840 175.539 -0.699 2
1 1107 . 1 1 A 88 88 SER CA C 88 58.800 61.192 -2.392 2
1 1108 . 1 1 A 88 88 SER CB C 88 63.870 62.728 1.142 2
1 1109 . 1 1 A 88 88 SER N N 88 116.440 117.409 -0.969 2
1 1110 . 1 1 A 89 89 ASP H H 89 8.556 8.023 0.533 2
1 1111 . 1 1 A 89 89 ASP HA H 89 4.460 4.461 -0.001 2
1 1114 . 1 1 A 89 89 ASP C C 89 177.450 178.203 -0.753 2
1 1115 . 1 1 A 89 89 ASP CA C 89 56.110 57.236 -1.126 2
1 1116 . 1 1 A 89 89 ASP CB C 89 40.500 41.335 -0.835 2
1 1117 . 1 1 A 89 89 ASP N N 89 123.080 121.047 2.032 2
1 1118 . 1 1 A 90 90 ILE H H 90 7.756 7.788 -0.032 2
1 1119 . 1 1 A 90 90 ILE HA H 90 3.829 3.730 0.099 2
1 1129 . 1 1 A 90 90 ILE C C 90 177.060 177.988 -0.928 2
1 1130 . 1 1 A 90 90 ILE CA C 90 63.070 64.449 -1.379 2
1 1131 . 1 1 A 90 90 ILE CB C 90 38.290 37.232 1.058 2
1 1135 . 1 1 A 90 90 ILE N N 90 119.250 118.165 1.085 2
1 1136 . 1 1 A 91 91 VAL H H 91 7.459 8.314 -0.855 2
1 1137 . 1 1 A 91 91 VAL HA H 91 3.613 3.492 0.121 2
1 1145 . 1 1 A 91 91 VAL C C 91 177.080 178.014 -0.934 2
1 1146 . 1 1 A 91 91 VAL CA C 91 65.250 66.526 -1.276 2
1 1147 . 1 1 A 91 91 VAL CB C 91 31.970 31.518 0.452 2
1 1150 . 1 1 A 91 91 VAL N N 91 121.040 121.892 -0.852 2
1 1151 . 1 1 A 92 92 ALA H H 92 8.076 8.132 -0.056 2
1 1152 . 1 1 A 92 92 ALA HA H 92 4.098 3.977 0.121 2
1 1156 . 1 1 A 92 92 ALA C C 92 179.510 179.600 -0.090 2
1 1157 . 1 1 A 92 92 ALA CA C 92 54.180 55.452 -1.272 2
1 1158 . 1 1 A 92 92 ALA CB C 92 18.660 18.314 0.346 2
1 1159 . 1 1 A 92 92 ALA N N 92 122.880 121.808 1.072 2
1 1160 . 1 1 A 93 93 LYS H H 93 7.946 8.007 -0.061 2
1 1161 . 1 1 A 93 93 LYS HA H 93 4.136 3.873 0.263 2
1 1170 . 1 1 A 93 93 LYS C C 93 178.300 179.405 -1.105 2
1 1171 . 1 1 A 93 93 LYS CA C 93 58.000 59.538 -1.538 2
1 1172 . 1 1 A 93 93 LYS CB C 93 32.550 32.218 0.332 2
1 1176 . 1 1 A 93 93 LYS N N 93 118.800 117.540 1.260 2
1 1177 . 1 1 A 94 94 ILE H H 94 7.894 7.760 0.134 2
1 1178 . 1 1 A 94 94 ILE HA H 94 3.906 3.901 0.005 2
1 1188 . 1 1 A 94 94 ILE C C 94 177.720 177.590 0.130 2
1 1189 . 1 1 A 94 94 ILE CA C 94 63.200 63.152 0.048 2
1 1190 . 1 1 A 94 94 ILE CB C 94 38.330 37.294 1.036 2
1 1194 . 1 1 A 94 94 ILE N N 94 120.760 117.206 3.554 2
1 1195 . 1 1 A 95 95 LYS H H 95 8.310 7.916 0.394 2
1 1196 . 1 1 A 95 95 LYS HA H 95 4.083 4.271 -0.188 2
1 1205 . 1 1 A 95 95 LYS C C 95 177.660 176.700 0.960 2
1 1206 . 1 1 A 95 95 LYS CA C 95 57.930 57.213 0.717 2
1 1207 . 1 1 A 95 95 LYS CB C 95 32.860 33.453 -0.593 2
1 1211 . 1 1 A 95 95 LYS N N 95 121.330 121.195 0.135 2
1 1212 . 1 1 A 96 96 GLY H H 96 8.122 7.886 0.236 2
1 1213 . 1 1 A 96 96 GLY HA2 H 96 3.999 4.048 -0.049 2
1 1214 . 1 1 A 96 96 GLY HA3 H 96 3.999 4.096 -0.097 2
1 1215 . 1 1 A 96 96 GLY C C 96 174.640 174.563 0.077 2
1 1216 . 1 1 A 96 96 GLY CA C 96 45.660 45.642 0.018 2
1 1217 . 1 1 A 96 96 GLY N N 96 107.870 107.418 0.452 2
1 1218 . 1 1 A 97 97 THR H H 97 7.968 8.130 -0.162 2
1 1219 . 1 1 A 97 97 THR HA H 97 4.294 4.342 -0.048 2
1 1224 . 1 1 A 97 97 THR C C 97 174.590 175.396 -0.806 2
1 1225 . 1 1 A 97 97 THR CA C 97 62.160 63.550 -1.390 2
1 1226 . 1 1 A 97 97 THR CB C 97 69.630 69.461 0.169 2
1 1228 . 1 1 A 97 97 THR N N 97 112.820 113.448 -0.628 2
1 1229 . 1 1 A 98 98 PHE H H 98 7.938 8.310 -0.372 2
1 1230 . 1 1 A 98 98 PHE HA H 98 4.552 4.280 0.272 2
1 1235 . 1 1 A 98 98 PHE C C 98 175.370 176.098 -0.728 2
1 1236 . 1 1 A 98 98 PHE CA C 98 58.150 60.307 -2.157 2
1 1237 . 1 1 A 98 98 PHE CB C 98 39.550 39.038 0.512 2
1 1239 . 1 1 A 98 98 PHE N N 98 122.400 122.287 0.113 2
1 1240 . 1 1 A 99 99 LYS H H 99 7.986 7.664 0.322 2
1 1241 . 1 1 A 99 99 LYS HA H 99 4.242 4.398 -0.156 2
1 1250 . 1 1 A 99 99 LYS C C 99 175.750 176.252 -0.502 2
1 1251 . 1 1 A 99 99 LYS CA C 99 56.030 56.224 -0.194 2
1 1252 . 1 1 A 99 99 LYS CB C 99 33.390 34.182 -0.792 2
1 1256 . 1 1 A 99 99 LYS N N 99 123.810 116.717 7.093 2
1 1257 . 1 1 A 100 100 GLU H H 100 8.247 8.131 0.116 2
1 1258 . 1 1 A 100 100 GLU HA H 100 4.202 4.415 -0.213 2
1 1263 . 1 1 A 100 100 GLU C C 100 176.210 175.938 0.272 2
1 1264 . 1 1 A 100 100 GLU CA C 100 56.270 56.545 -0.275 2
1 1265 . 1 1 A 100 100 GLU CB C 100 30.550 31.168 -0.618 2
1 1267 . 1 1 A 100 100 GLU N N 100 122.270 121.114 1.156 2
1 1268 . 1 1 A 101 101 ARG H H 101 8.415 8.243 0.172 2
1 1269 . 1 1 A 101 101 ARG HA H 101 4.590 4.536 0.054 2
1 1276 . 1 1 A 101 101 ARG CA C 101 53.980 54.122 -0.142 2
1 1277 . 1 1 A 101 101 ARG CB C 101 30.070 30.647 -0.577 2
1 1280 . 1 1 A 101 101 ARG N N 101 123.970 122.268 1.702 2
1 1281 . 1 1 A 102 102 PRO HA H 102 4.421 4.416 0.005 2
1 1288 . 1 1 A 102 102 PRO C C 102 176.700 176.610 0.090 2
1 1289 . 1 1 A 102 102 PRO CA C 102 63.090 64.600 -1.510 2
1 1290 . 1 1 A 102 102 PRO CB C 102 32.160 31.937 0.223 2
1 1293 . 1 1 A 103 103 LYS H H 103 8.445 7.718 0.727 2
1 1294 . 1 1 A 103 103 LYS HA H 103 4.294 4.660 -0.366 2
1 1303 . 1 1 A 103 103 LYS C C 103 175.690 175.418 0.272 2
1 1304 . 1 1 A 103 103 LYS CA C 103 56.380 55.352 1.028 2
1 1305 . 1 1 A 103 103 LYS CB C 103 33.150 34.383 -1.233 2
1 1309 . 1 1 A 103 103 LYS N N 103 122.480 116.022 6.458 2
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