data_16568_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16568
_Entry.PDB_ID 2KPS
_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 10
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 6 6 ASP C C 6 174.750 176.637 -1.887 1
1 2 . 1 1 1 A 6 6 ASP CA C 6 55.079 55.792 -0.713 1
1 3 . 1 1 1 A 6 6 ASP CB C 6 38.799 39.865 -1.066 1
1 4 . 1 1 1 A 7 7 LEU H H 7 9.403 7.944 1.459 1
1 14 . 1 1 1 A 7 7 LEU CA C 7 53.136 52.068 1.068 1
1 15 . 1 1 1 A 7 7 LEU CB C 7 41.601 43.085 -1.484 1
1 18 . 1 1 1 A 7 7 LEU N N 7 123.103 118.504 4.599 1
1 19 . 1 1 1 A 8 8 PRO HA H 8 4.880 4.824 0.056 1
1 21 . 1 1 1 A 8 8 PRO C C 8 175.617 176.534 -0.917 1
1 22 . 1 1 1 A 8 8 PRO CA C 8 61.559 62.236 -0.677 1
1 23 . 1 1 1 A 8 8 PRO CB C 8 32.973 30.346 2.627 1
1 24 . 1 1 1 A 9 9 ILE H H 9 8.721 7.917 0.804 1
1 25 . 1 1 1 A 9 9 ILE HA H 9 4.156 4.468 -0.312 1
1 35 . 1 1 1 A 9 9 ILE C C 9 175.726 175.661 0.065 1
1 36 . 1 1 1 A 9 9 ILE CA C 9 60.104 61.355 -1.251 1
1 37 . 1 1 1 A 9 9 ILE CB C 9 41.286 38.686 2.600 1
1 40 . 1 1 1 A 9 9 ILE N N 9 118.531 123.956 -5.425 1
1 41 . 1 1 1 A 10 10 VAL H H 10 8.229 8.442 -0.213 1
1 42 . 1 1 1 A 10 10 VAL HA H 10 4.146 4.998 -0.852 1
1 50 . 1 1 1 A 10 10 VAL C C 10 174.221 174.766 -0.545 1
1 51 . 1 1 1 A 10 10 VAL CA C 10 62.271 60.966 1.305 1
1 52 . 1 1 1 A 10 10 VAL CB C 10 33.507 34.948 -1.441 1
1 55 . 1 1 1 A 10 10 VAL N N 10 126.782 125.347 1.435 1
1 56 . 1 1 1 A 11 11 LEU H H 11 8.533 8.995 -0.462 1
1 57 . 1 1 1 A 11 11 LEU HA H 11 4.615 5.225 -0.610 1
1 67 . 1 1 1 A 11 11 LEU C C 11 176.048 175.171 0.877 1
1 68 . 1 1 1 A 11 11 LEU CA C 11 54.172 53.898 0.274 1
1 69 . 1 1 1 A 11 11 LEU CB C 11 42.865 46.097 -3.232 1
1 72 . 1 1 1 A 11 11 LEU N N 11 128.336 126.563 1.773 1
1 73 . 1 1 1 A 12 12 ARG H H 12 9.076 8.740 0.336 1
1 74 . 1 1 1 A 12 12 ARG HA H 12 4.620 4.827 -0.207 1
1 81 . 1 1 1 A 12 12 ARG C C 12 175.198 175.888 -0.690 1
1 82 . 1 1 1 A 12 12 ARG CA C 12 55.178 54.521 0.657 1
1 83 . 1 1 1 A 12 12 ARG CB C 12 33.105 32.134 0.971 1
1 86 . 1 1 1 A 12 12 ARG N N 12 126.410 121.076 5.334 1
1 87 . 1 1 1 A 13 13 ASN H H 13 8.914 9.199 -0.285 1
1 88 . 1 1 1 A 13 13 ASN HA H 13 4.167 4.497 -0.330 1
1 91 . 1 1 1 A 13 13 ASN C C 13 174.200 174.642 -0.442 1
1 92 . 1 1 1 A 13 13 ASN CA C 13 54.189 54.576 -0.387 1
1 93 . 1 1 1 A 13 13 ASN CB C 13 37.053 38.258 -1.205 1
1 94 . 1 1 1 A 13 13 ASN N N 13 115.665 117.503 -1.838 1
1 95 . 1 1 1 A 14 14 LEU H H 14 8.096 8.593 -0.497 1
1 96 . 1 1 1 A 14 14 LEU HA H 14 4.160 4.320 -0.160 1
1 106 . 1 1 1 A 14 14 LEU CA C 14 53.789 53.831 -0.042 1
1 107 . 1 1 1 A 14 14 LEU CB C 14 42.801 42.396 0.405 1
1 111 . 1 1 1 A 14 14 LEU N N 14 121.110 123.528 -2.418 1
1 112 . 1 1 1 A 15 15 PRO HA H 15 4.400 4.543 -0.143 1
1 118 . 1 1 1 A 15 15 PRO C C 15 176.937 177.304 -0.367 1
1 119 . 1 1 1 A 15 15 PRO CA C 15 63.627 63.099 0.528 1
1 120 . 1 1 1 A 15 15 PRO CB C 15 32.770 32.700 0.070 1
1 123 . 1 1 1 A 16 16 GLU H H 16 8.472 8.711 -0.239 1
1 124 . 1 1 1 A 16 16 GLU HA H 16 4.083 4.092 -0.009 1
1 126 . 1 1 1 A 16 16 GLU C C 16 176.530 176.868 -0.338 1
1 127 . 1 1 1 A 16 16 GLU CA C 16 58.767 58.728 0.039 1
1 128 . 1 1 1 A 16 16 GLU CB C 16 29.951 29.195 0.756 1
1 129 . 1 1 1 A 16 16 GLU N N 16 119.567 122.096 -2.529 1
1 130 . 1 1 1 A 17 17 ASP H H 17 8.654 7.897 0.757 1
1 131 . 1 1 1 A 17 17 ASP HA H 17 4.600 4.707 -0.107 1
1 134 . 1 1 1 A 17 17 ASP C C 17 175.057 174.828 0.229 1
1 135 . 1 1 1 A 17 17 ASP CA C 17 54.212 54.025 0.187 1
1 136 . 1 1 1 A 17 17 ASP CB C 17 40.065 41.811 -1.746 1
1 137 . 1 1 1 A 17 17 ASP N N 17 114.516 118.627 -4.111 1
1 138 . 1 1 1 A 18 18 LEU H H 18 7.814 7.340 0.474 1
1 139 . 1 1 1 A 18 18 LEU HA H 18 5.260 4.952 0.308 1
1 149 . 1 1 1 A 18 18 LEU C C 18 174.434 174.990 -0.556 1
1 150 . 1 1 1 A 18 18 LEU CA C 18 53.620 53.659 -0.039 1
1 151 . 1 1 1 A 18 18 LEU CB C 18 46.147 46.526 -0.379 1
1 155 . 1 1 1 A 18 18 LEU N N 18 120.789 121.114 -0.325 1
1 156 . 1 1 1 A 19 19 VAL H H 19 8.931 8.651 0.280 1
1 157 . 1 1 1 A 19 19 VAL HA H 19 4.600 5.006 -0.406 1
1 165 . 1 1 1 A 19 19 VAL C C 19 175.054 173.358 1.696 1
1 166 . 1 1 1 A 19 19 VAL CA C 19 59.348 59.041 0.307 1
1 167 . 1 1 1 A 19 19 VAL CB C 19 36.380 36.332 0.048 1
1 170 . 1 1 1 A 19 19 VAL N N 19 111.130 118.623 -7.493 1
1 171 . 1 1 1 A 20 20 LEU H H 20 8.339 8.698 -0.359 1
1 172 . 1 1 1 A 20 20 LEU HA H 20 4.704 5.064 -0.360 1
1 182 . 1 1 1 A 20 20 LEU C C 20 178.790 177.184 1.606 1
1 183 . 1 1 1 A 20 20 LEU CA C 20 55.095 53.253 1.842 1
1 184 . 1 1 1 A 20 20 LEU CB C 20 42.647 46.144 -3.497 1
1 188 . 1 1 1 A 20 20 LEU N N 20 122.936 124.036 -1.100 1
1 189 . 1 1 1 A 21 21 GLU H H 21 8.851 8.619 0.232 1
1 190 . 1 1 1 A 21 21 GLU HA H 21 3.880 4.199 -0.319 1
1 194 . 1 1 1 A 21 21 GLU C C 21 175.661 175.884 -0.223 1
1 195 . 1 1 1 A 21 21 GLU CA C 21 59.434 56.388 3.046 1
1 196 . 1 1 1 A 21 21 GLU CB C 21 31.125 28.995 2.130 1
1 198 . 1 1 1 A 21 21 GLU N N 21 124.719 122.703 2.016 1
1 199 . 1 1 1 A 22 22 LYS H H 22 7.591 8.316 -0.725 1
1 200 . 1 1 1 A 22 22 LYS HA H 22 4.760 4.397 0.363 1
1 203 . 1 1 1 A 22 22 LYS CA C 22 53.277 56.986 -3.709 1
1 204 . 1 1 1 A 22 22 LYS CB C 22 34.301 33.330 0.971 1
1 205 . 1 1 1 A 22 22 LYS N N 22 115.055 114.499 0.556 1
1 206 . 1 1 1 A 23 23 PRO HA H 23 4.343 4.398 -0.055 1
1 213 . 1 1 1 A 23 23 PRO C C 23 176.657 177.180 -0.523 1
1 214 . 1 1 1 A 23 23 PRO CA C 23 62.800 63.658 -0.858 1
1 215 . 1 1 1 A 23 23 PRO CB C 23 32.360 32.123 0.237 1
1 218 . 1 1 1 A 24 24 LEU H H 24 8.507 7.898 0.609 1
1 219 . 1 1 1 A 24 24 LEU HA H 24 4.460 3.986 0.474 1
1 225 . 1 1 1 A 24 24 LEU CA C 24 53.311 55.631 -2.320 1
1 226 . 1 1 1 A 24 24 LEU CB C 24 40.716 40.620 0.096 1
1 228 . 1 1 1 A 24 24 LEU N N 24 121.875 121.171 0.704 1
1 229 . 1 1 1 A 25 25 PRO HA H 25 4.560 4.255 0.305 1
1 232 . 1 1 1 A 25 25 PRO C C 25 176.019 176.911 -0.892 1
1 233 . 1 1 1 A 25 25 PRO CA C 25 62.448 65.536 -3.088 1
1 234 . 1 1 1 A 25 25 PRO CB C 25 32.035 31.789 0.246 1
1 235 . 1 1 1 A 26 26 GLU H H 26 7.828 8.409 -0.581 1
1 236 . 1 1 1 A 26 26 GLU HA H 26 4.790 4.071 0.719 1
1 239 . 1 1 1 A 26 26 GLU C C 26 178.159 176.406 1.753 1
1 240 . 1 1 1 A 26 26 GLU CA C 26 55.700 57.793 -2.093 1
1 241 . 1 1 1 A 26 26 GLU CB C 26 30.291 29.807 0.484 1
1 242 . 1 1 1 A 26 26 GLU N N 26 117.053 117.854 -0.801 1
1 243 . 1 1 1 A 27 27 VAL H H 27 8.863 8.484 0.379 1
1 244 . 1 1 1 A 27 27 VAL HA H 27 4.830 4.631 0.199 1
1 252 . 1 1 1 A 27 27 VAL C C 27 174.041 173.720 0.321 1
1 253 . 1 1 1 A 27 27 VAL CA C 27 59.788 60.459 -0.671 1
1 254 . 1 1 1 A 27 27 VAL CB C 27 35.937 36.297 -0.360 1
1 257 . 1 1 1 A 27 27 VAL N N 27 114.437 124.919 -10.482 1
1 258 . 1 1 1 A 28 28 SER H H 28 7.870 8.854 -0.984 1
1 259 . 1 1 1 A 28 28 SER HA H 28 5.360 5.254 0.106 1
1 261 . 1 1 1 A 28 28 SER CA C 28 55.629 56.061 -0.432 1
1 262 . 1 1 1 A 28 28 SER CB C 28 65.215 65.451 -0.236 1
1 263 . 1 1 1 A 28 28 SER N N 28 114.263 121.950 -7.687 1
1 264 . 1 1 1 A 29 29 VAL HA H 29 4.960 4.763 0.197 1
1 272 . 1 1 1 A 29 29 VAL C C 29 174.289 175.319 -1.030 1
1 273 . 1 1 1 A 29 29 VAL CA C 29 58.515 60.795 -2.280 1
1 274 . 1 1 1 A 29 29 VAL CB C 29 34.903 35.778 -0.875 1
1 277 . 1 1 1 A 30 30 THR H H 30 8.579 8.779 -0.200 1
1 278 . 1 1 1 A 30 30 THR HA H 30 5.240 4.690 0.550 1
1 283 . 1 1 1 A 30 30 THR C C 30 173.452 173.803 -0.351 1
1 284 . 1 1 1 A 30 30 THR CA C 30 61.702 61.295 0.407 1
1 285 . 1 1 1 A 30 30 THR CB C 30 70.283 70.033 0.250 1
1 287 . 1 1 1 A 30 30 THR N N 30 118.278 119.609 -1.331 1
1 288 . 1 1 1 A 31 31 ILE H H 31 8.919 7.556 1.363 1
1 289 . 1 1 1 A 31 31 ILE HA H 31 5.138 4.198 0.940 1
1 299 . 1 1 1 A 31 31 ILE C C 31 173.712 174.870 -1.158 1
1 300 . 1 1 1 A 31 31 ILE CA C 31 59.199 60.314 -1.115 1
1 301 . 1 1 1 A 31 31 ILE CB C 31 41.425 39.218 2.207 1
1 305 . 1 1 1 A 31 31 ILE N N 31 119.853 122.351 -2.498 1
1 306 . 1 1 1 A 32 32 ARG H H 32 8.715 8.864 -0.149 1
1 307 . 1 1 1 A 32 32 ARG C C 32 173.382 174.235 -0.853 1
1 308 . 1 1 1 A 32 32 ARG CA C 32 55.308 53.616 1.692 1
1 309 . 1 1 1 A 32 32 ARG CB C 32 34.457 34.680 -0.223 1
1 310 . 1 1 1 A 32 32 ARG N N 32 118.433 123.841 -5.408 1
1 311 . 1 1 1 A 33 33 ALA H H 33 7.873 8.456 -0.583 1
1 312 . 1 1 1 A 33 33 ALA HA H 33 4.510 4.546 -0.036 1
1 316 . 1 1 1 A 33 33 ALA C C 33 175.205 175.165 0.040 1
1 317 . 1 1 1 A 33 33 ALA CA C 33 51.365 51.297 0.068 1
1 318 . 1 1 1 A 33 33 ALA CB C 33 23.433 22.525 0.908 1
1 319 . 1 1 1 A 33 33 ALA N N 33 123.018 120.627 2.391 1
1 320 . 1 1 1 A 34 34 TYR H H 34 8.171 8.451 -0.280 1
1 321 . 1 1 1 A 34 34 TYR HA H 34 4.860 4.684 0.176 1
1 324 . 1 1 1 A 34 34 TYR CA C 34 56.646 57.072 -0.426 1
1 325 . 1 1 1 A 34 34 TYR CB C 34 36.668 38.674 -2.006 1
1 326 . 1 1 1 A 34 34 TYR N N 34 118.901 117.848 1.053 1
1 327 . 1 1 1 A 35 35 PRO HA H 35 4.100 4.334 -0.234 1
1 330 . 1 1 1 A 35 35 PRO C C 35 177.893 178.863 -0.970 1
1 331 . 1 1 1 A 35 35 PRO CA C 35 66.575 65.337 1.238 1
1 332 . 1 1 1 A 35 35 PRO CB C 35 32.036 31.894 0.142 1
1 333 . 1 1 1 A 36 36 GLU H H 36 9.144 8.391 0.753 1
1 334 . 1 1 1 A 36 36 GLU HA H 36 4.090 4.113 -0.023 1
1 337 . 1 1 1 A 36 36 GLU C C 36 178.276 179.074 -0.798 1
1 338 . 1 1 1 A 36 36 GLU CA C 36 59.597 59.651 -0.054 1
1 339 . 1 1 1 A 36 36 GLU CB C 36 28.790 29.165 -0.375 1
1 340 . 1 1 1 A 36 36 GLU N N 36 115.616 117.161 -1.545 1
1 341 . 1 1 1 A 37 37 ILE H H 37 7.227 7.693 -0.466 1
1 342 . 1 1 1 A 37 37 ILE HA H 37 4.020 3.933 0.087 1
1 352 . 1 1 1 A 37 37 ILE C C 37 178.767 178.294 0.473 1
1 353 . 1 1 1 A 37 37 ILE CA C 37 62.612 63.487 -0.875 1
1 354 . 1 1 1 A 37 37 ILE CB C 37 37.690 37.615 0.075 1
1 358 . 1 1 1 A 37 37 ILE N N 37 117.970 120.418 -2.448 1
1 359 . 1 1 1 A 38 38 LEU H H 38 7.737 7.409 0.328 1
1 360 . 1 1 1 A 38 38 LEU HA H 38 3.860 4.234 -0.374 1
1 370 . 1 1 1 A 38 38 LEU C C 38 179.021 178.901 0.120 1
1 371 . 1 1 1 A 38 38 LEU CA C 38 57.346 56.761 0.585 1
1 372 . 1 1 1 A 38 38 LEU CB C 38 41.634 41.981 -0.347 1
1 376 . 1 1 1 A 38 38 LEU N N 38 119.122 121.161 -2.039 1
1 377 . 1 1 1 A 39 39 ASN H H 39 8.347 8.190 0.157 1
1 378 . 1 1 1 A 39 39 ASN HA H 39 4.440 4.564 -0.124 1
1 380 . 1 1 1 A 39 39 ASN C C 39 175.797 176.416 -0.619 1
1 381 . 1 1 1 A 39 39 ASN CA C 39 55.237 56.071 -0.834 1
1 382 . 1 1 1 A 39 39 ASN CB C 39 38.282 38.816 -0.534 1
1 383 . 1 1 1 A 39 39 ASN N N 39 115.266 117.999 -2.733 1
1 384 . 1 1 1 A 40 40 ASN H H 40 7.279 7.928 -0.649 1
1 385 . 1 1 1 A 40 40 ASN HA H 40 4.842 4.896 -0.054 1
1 388 . 1 1 1 A 40 40 ASN C C 40 174.085 174.252 -0.167 1
1 389 . 1 1 1 A 40 40 ASN CA C 40 52.778 53.041 -0.263 1
1 390 . 1 1 1 A 40 40 ASN CB C 40 39.998 39.597 0.401 1
1 391 . 1 1 1 A 40 40 ASN N N 40 115.166 114.616 0.550 1
1 392 . 1 1 1 A 41 41 LEU H H 41 7.151 7.330 -0.179 1
1 393 . 1 1 1 A 41 41 LEU HA H 41 4.420 4.944 -0.524 1
1 403 . 1 1 1 A 41 41 LEU C C 41 176.343 174.893 1.450 1
1 404 . 1 1 1 A 41 41 LEU CA C 41 55.639 53.591 2.048 1
1 405 . 1 1 1 A 41 41 LEU CB C 41 43.186 44.430 -1.244 1
1 409 . 1 1 1 A 41 41 LEU N N 41 122.633 122.441 0.192 1
1 410 . 1 1 1 A 42 42 THR H H 42 8.040 8.517 -0.477 1
1 411 . 1 1 1 A 42 42 THR HA H 42 4.770 4.902 -0.132 1
1 416 . 1 1 1 A 42 42 THR C C 42 175.548 175.045 0.503 1
1 417 . 1 1 1 A 42 42 THR CA C 42 59.354 59.391 -0.037 1
1 418 . 1 1 1 A 42 42 THR CB C 42 71.538 71.143 0.395 1
1 420 . 1 1 1 A 42 42 THR N N 42 117.269 120.051 -2.782 1
1 421 . 1 1 1 A 43 43 LYS H H 43 8.841 8.909 -0.068 1
1 422 . 1 1 1 A 43 43 LYS HA H 43 3.780 4.126 -0.346 1
1 428 . 1 1 1 A 43 43 LYS C C 43 177.649 178.692 -1.043 1
1 429 . 1 1 1 A 43 43 LYS CA C 43 59.948 59.090 0.858 1
1 430 . 1 1 1 A 43 43 LYS CB C 43 32.318 32.472 -0.154 1
1 432 . 1 1 1 A 43 43 LYS N N 43 120.046 123.533 -3.487 1
1 433 . 1 1 1 A 44 44 GLU H H 44 8.565 7.878 0.687 1
1 434 . 1 1 1 A 44 44 GLU HA H 44 4.200 4.094 0.106 1
1 438 . 1 1 1 A 44 44 GLU C C 44 177.413 179.524 -2.111 1
1 439 . 1 1 1 A 44 44 GLU CA C 44 58.761 59.441 -0.680 1
1 440 . 1 1 1 A 44 44 GLU CB C 44 28.613 29.277 -0.664 1
1 441 . 1 1 1 A 44 44 GLU N N 44 117.096 119.651 -2.555 1
1 442 . 1 1 1 A 45 45 GLN H H 45 7.667 8.014 -0.347 1
1 443 . 1 1 1 A 45 45 GLN HA H 45 4.230 4.087 0.143 1
1 446 . 1 1 1 A 45 45 GLN C C 45 174.680 176.616 -1.936 1
1 447 . 1 1 1 A 45 45 GLN CA C 45 56.637 58.644 -2.007 1
1 448 . 1 1 1 A 45 45 GLN CB C 45 30.099 28.738 1.361 1
1 449 . 1 1 1 A 45 45 GLN N N 45 116.509 118.959 -2.450 1
1 450 . 1 1 1 A 46 46 ILE H H 46 7.595 7.647 -0.052 1
1 451 . 1 1 1 A 46 46 ILE HA H 46 4.385 4.074 0.311 1
1 461 . 1 1 1 A 46 46 ILE C C 46 174.202 175.566 -1.364 1
1 462 . 1 1 1 A 46 46 ILE CA C 46 60.775 62.425 -1.650 1
1 463 . 1 1 1 A 46 46 ILE CB C 46 38.470 38.043 0.427 1
1 467 . 1 1 1 A 46 46 ILE N N 46 120.018 120.522 -0.504 1
1 468 . 1 1 1 A 47 47 SER H H 47 7.948 8.638 -0.690 1
1 469 . 1 1 1 A 47 47 SER HA H 47 4.915 4.963 -0.048 1
1 472 . 1 1 1 A 47 47 SER C C 47 172.724 173.733 -1.009 1
1 473 . 1 1 1 A 47 47 SER CA C 47 57.092 58.158 -1.066 1
1 474 . 1 1 1 A 47 47 SER CB C 47 64.837 62.755 2.082 1
1 475 . 1 1 1 A 47 47 SER N N 47 120.935 125.168 -4.233 1
1 476 . 1 1 1 A 48 48 LEU H H 48 8.665 9.028 -0.363 1
1 477 . 1 1 1 A 48 48 LEU HA H 48 5.707 5.404 0.303 1
1 487 . 1 1 1 A 48 48 LEU C C 48 177.942 176.125 1.817 1
1 488 . 1 1 1 A 48 48 LEU CA C 48 53.244 54.043 -0.799 1
1 489 . 1 1 1 A 48 48 LEU CB C 48 44.148 43.706 0.442 1
1 493 . 1 1 1 A 48 48 LEU N N 48 124.499 126.601 -2.102 1
1 494 . 1 1 1 A 49 49 TRP H H 49 9.205 8.899 0.306 1
1 495 . 1 1 1 A 49 49 TRP HA H 49 5.819 5.715 0.104 1
1 498 . 1 1 1 A 49 49 TRP C C 49 172.596 173.375 -0.779 1
1 499 . 1 1 1 A 49 49 TRP CA C 49 57.390 56.116 1.274 1
1 500 . 1 1 1 A 49 49 TRP CB C 49 32.341 32.533 -0.192 1
1 501 . 1 1 1 A 49 49 TRP N N 49 122.571 121.397 1.174 1
1 503 . 1 1 1 A 50 50 ILE H H 50 8.559 8.349 0.210 1
1 504 . 1 1 1 A 50 50 ILE HA H 50 4.570 4.611 -0.041 1
1 514 . 1 1 1 A 50 50 ILE C C 50 174.443 174.143 0.300 1
1 515 . 1 1 1 A 50 50 ILE CA C 50 59.706 59.585 0.121 1
1 516 . 1 1 1 A 50 50 ILE CB C 50 42.605 41.882 0.723 1
1 520 . 1 1 1 A 50 50 ILE N N 50 113.357 122.090 -8.733 1
1 521 . 1 1 1 A 51 51 ASP H H 51 8.497 8.637 -0.140 1
1 522 . 1 1 1 A 51 51 ASP HA H 51 5.226 5.332 -0.106 1
1 525 . 1 1 1 A 51 51 ASP C C 51 177.162 175.927 1.235 1
1 526 . 1 1 1 A 51 51 ASP CA C 51 52.584 52.801 -0.217 1
1 527 . 1 1 1 A 51 51 ASP CB C 51 43.343 41.880 1.463 1
1 528 . 1 1 1 A 51 51 ASP N N 51 122.696 126.408 -3.712 1
1 529 . 1 1 1 A 52 52 ALA H H 52 9.021 8.923 0.098 1
1 530 . 1 1 1 A 52 52 ALA HA H 52 4.410 4.574 -0.164 1
1 534 . 1 1 1 A 52 52 ALA C C 52 174.841 177.405 -2.564 1
1 535 . 1 1 1 A 52 52 ALA CA C 52 51.807 51.656 0.151 1
1 536 . 1 1 1 A 52 52 ALA CB C 52 18.117 18.713 -0.596 1
1 537 . 1 1 1 A 52 52 ALA N N 52 131.046 127.662 3.384 1
1 538 . 1 1 1 A 53 53 THR H H 53 8.250 7.646 0.604 1
1 539 . 1 1 1 A 53 53 THR HA H 53 3.880 4.518 -0.638 1
1 544 . 1 1 1 A 53 53 THR C C 53 177.316 175.219 2.097 1
1 545 . 1 1 1 A 53 53 THR CA C 53 66.288 63.106 3.182 1
1 546 . 1 1 1 A 53 53 THR CB C 53 68.896 68.425 0.471 1
1 548 . 1 1 1 A 53 53 THR N N 53 116.426 112.057 4.369 1
1 549 . 1 1 1 A 54 54 GLY H H 54 9.304 8.850 0.454 1
1 550 . 1 1 1 A 54 54 GLY HA2 H 54 3.950 3.920 0.030 1
1 551 . 1 1 1 A 54 54 GLY HA3 H 54 3.770 3.925 -0.155 1
1 552 . 1 1 1 A 54 54 GLY C C 54 174.142 174.535 -0.393 1
1 553 . 1 1 1 A 54 54 GLY CA C 54 45.832 46.320 -0.488 1
1 554 . 1 1 1 A 54 54 GLY N N 54 115.462 114.350 1.112 1
1 555 . 1 1 1 A 55 55 LYS H H 55 7.588 7.842 -0.254 1
1 556 . 1 1 1 A 55 55 LYS HA H 55 4.067 4.598 -0.531 1
1 565 . 1 1 1 A 55 55 LYS C C 55 174.805 175.763 -0.958 1
1 566 . 1 1 1 A 55 55 LYS CA C 55 54.856 55.541 -0.685 1
1 567 . 1 1 1 A 55 55 LYS CB C 55 32.971 33.577 -0.606 1
1 571 . 1 1 1 A 55 55 LYS N N 55 120.231 121.297 -1.066 1
1 572 . 1 1 1 A 56 56 ALA H H 56 7.619 8.531 -0.912 1
1 573 . 1 1 1 A 56 56 ALA HA H 56 4.620 4.667 -0.047 1
1 577 . 1 1 1 A 56 56 ALA C C 56 177.034 177.783 -0.749 1
1 578 . 1 1 1 A 56 56 ALA CA C 56 49.962 51.353 -1.391 1
1 579 . 1 1 1 A 56 56 ALA CB C 56 21.814 20.379 1.435 1
1 580 . 1 1 1 A 56 56 ALA N N 56 121.951 130.115 -8.164 1
1 581 . 1 1 1 A 57 57 VAL H H 57 7.896 8.473 -0.577 1
1 582 . 1 1 1 A 57 57 VAL HA H 57 3.520 3.735 -0.215 1
1 590 . 1 1 1 A 57 57 VAL C C 57 175.691 176.376 -0.685 1
1 591 . 1 1 1 A 57 57 VAL CA C 57 64.652 64.942 -0.290 1
1 592 . 1 1 1 A 57 57 VAL CB C 57 32.644 31.506 1.138 1
1 595 . 1 1 1 A 57 57 VAL N N 57 116.475 119.261 -2.786 1
1 596 . 1 1 1 A 58 58 GLY H H 58 8.429 8.665 -0.236 1
1 597 . 1 1 1 A 58 58 GLY HA2 H 58 4.442 4.144 0.298 1
1 598 . 1 1 1 A 58 58 GLY HA3 H 58 3.739 4.190 -0.451 1
1 599 . 1 1 1 A 58 58 GLY C C 58 170.877 173.033 -2.156 1
1 600 . 1 1 1 A 58 58 GLY CA C 58 43.207 44.249 -1.042 1
1 601 . 1 1 1 A 58 58 GLY N N 58 113.209 112.033 1.176 1
1 602 . 1 1 1 A 59 59 GLU H H 59 8.017 8.191 -0.174 1
1 603 . 1 1 1 A 59 59 GLU HA H 59 4.690 5.002 -0.312 1
1 606 . 1 1 1 A 59 59 GLU C C 59 175.309 175.740 -0.431 1
1 607 . 1 1 1 A 59 59 GLU CA C 59 55.370 56.044 -0.674 1
1 608 . 1 1 1 A 59 59 GLU CB C 59 32.114 29.826 2.288 1
1 610 . 1 1 1 A 59 59 GLU N N 59 119.976 119.234 0.742 1
1 611 . 1 1 1 A 60 60 HIS H H 60 9.001 8.672 0.329 1
1 612 . 1 1 1 A 60 60 HIS HA H 60 4.637 4.889 -0.252 1
1 615 . 1 1 1 A 60 60 HIS C C 60 173.585 173.776 -0.191 1
1 616 . 1 1 1 A 60 60 HIS CA C 60 55.364 54.637 0.727 1
1 617 . 1 1 1 A 60 60 HIS CB C 60 33.699 33.575 0.124 1
1 618 . 1 1 1 A 60 60 HIS N N 60 125.266 120.771 4.495 1
1 619 . 1 1 1 A 61 61 THR H H 61 8.712 8.609 0.103 1
1 620 . 1 1 1 A 61 61 THR HA H 61 5.333 4.599 0.734 1
1 625 . 1 1 1 A 61 61 THR C C 61 175.155 173.741 1.414 1
1 626 . 1 1 1 A 61 61 THR CA C 61 62.600 62.165 0.435 1
1 627 . 1 1 1 A 61 61 THR CB C 61 69.914 69.729 0.185 1
1 628 . 1 1 1 A 61 61 THR N N 61 120.973 117.367 3.606 1
1 629 . 1 1 1 A 62 62 VAL H H 62 9.313 8.626 0.687 1
1 630 . 1 1 1 A 62 62 VAL HA H 62 4.910 4.829 0.081 1
1 638 . 1 1 1 A 62 62 VAL C C 62 173.545 174.316 -0.771 1
1 639 . 1 1 1 A 62 62 VAL CA C 62 58.734 59.070 -0.336 1
1 640 . 1 1 1 A 62 62 VAL CB C 62 36.638 35.396 1.242 1
1 643 . 1 1 1 A 62 62 VAL N N 62 120.591 120.978 -0.387 1
1 644 . 1 1 1 A 63 63 LYS H H 63 7.815 8.495 -0.680 1
1 645 . 1 1 1 A 63 63 LYS HA H 63 4.552 4.515 0.037 1
1 650 . 1 1 1 A 63 63 LYS C C 63 175.805 175.923 -0.118 1
1 651 . 1 1 1 A 63 63 LYS CA C 63 54.680 55.808 -1.128 1
1 652 . 1 1 1 A 63 63 LYS CB C 63 32.896 33.159 -0.263 1
1 656 . 1 1 1 A 63 63 LYS N N 63 118.768 123.012 -4.244 1
1 657 . 1 1 1 A 64 64 ILE H H 64 8.349 8.453 -0.104 1
1 658 . 1 1 1 A 64 64 ILE HA H 64 3.870 4.211 -0.341 1
1 668 . 1 1 1 A 64 64 ILE C C 64 175.894 175.107 0.787 1
1 669 . 1 1 1 A 64 64 ILE CA C 64 61.324 60.627 0.697 1
1 670 . 1 1 1 A 64 64 ILE CB C 64 39.638 37.338 2.300 1
1 674 . 1 1 1 A 64 64 ILE N N 64 121.703 124.464 -2.761 1
1 675 . 1 1 1 A 65 65 TYR H H 65 8.491 8.033 0.458 1
1 676 . 1 1 1 A 65 65 TYR CA C 65 57.180 56.253 0.927 1
1 677 . 1 1 1 A 65 65 TYR CB C 65 37.490 36.227 1.263 1
1 678 . 1 1 1 A 65 65 TYR N N 65 125.077 127.678 -2.601 1
1 680 . 1 1 1 A 66 66 TRP C C 66 175.586 176.201 -0.615 1
1 681 . 1 1 1 A 66 66 TRP CB C 66 33.607 30.226 3.381 1
1 683 . 1 1 1 A 67 67 GLN H H 67 9.048 8.875 0.173 1
1 684 . 1 1 1 A 67 67 GLN HA H 67 4.751 4.689 0.062 1
1 687 . 1 1 1 A 67 67 GLN C C 67 174.057 174.285 -0.228 1
1 688 . 1 1 1 A 67 67 GLN CA C 67 56.338 54.789 1.549 1
1 689 . 1 1 1 A 67 67 GLN CB C 67 32.401 32.554 -0.153 1
1 690 . 1 1 1 A 67 67 GLN N N 67 119.746 118.782 0.964 1
1 691 . 1 1 1 A 68 68 LEU H H 68 8.898 8.680 0.218 1
1 692 . 1 1 1 A 68 68 LEU HA H 68 5.160 5.011 0.149 1
1 702 . 1 1 1 A 68 68 LEU CA C 68 51.902 50.901 1.001 1
1 703 . 1 1 1 A 68 68 LEU CB C 68 45.191 44.343 0.848 1
1 707 . 1 1 1 A 68 68 LEU N N 68 126.170 119.879 6.291 1
1 708 . 1 1 1 A 69 69 PRO HA H 69 4.511 4.612 -0.101 1
1 715 . 1 1 1 A 69 69 PRO C C 69 175.054 176.172 -1.118 1
1 716 . 1 1 1 A 69 69 PRO CA C 69 62.538 63.646 -1.108 1
1 717 . 1 1 1 A 69 69 PRO CB C 69 32.297 32.697 -0.400 1
1 720 . 1 1 1 A 70 70 ALA H H 70 8.307 7.844 0.463 1
1 721 . 1 1 1 A 70 70 ALA HA H 70 4.180 4.414 -0.234 1
1 725 . 1 1 1 A 70 70 ALA C C 70 178.404 178.106 0.298 1
1 726 . 1 1 1 A 70 70 ALA CA C 70 53.532 52.058 1.474 1
1 727 . 1 1 1 A 70 70 ALA CB C 70 18.613 20.554 -1.941 1
1 728 . 1 1 1 A 70 70 ALA N N 70 123.217 123.905 -0.688 1
1 729 . 1 1 1 A 71 71 GLY H H 71 8.667 8.455 0.212 1
1 730 . 1 1 1 A 71 71 GLY HA2 H 71 4.230 4.184 0.046 1
1 731 . 1 1 1 A 71 71 GLY HA3 H 71 3.650 4.185 -0.535 1
1 732 . 1 1 1 A 71 71 GLY C C 71 173.707 174.302 -0.595 1
1 733 . 1 1 1 A 71 71 GLY CA C 71 45.049 45.811 -0.762 1
1 734 . 1 1 1 A 71 71 GLY N N 71 108.062 108.341 -0.279 1
1 735 . 1 1 1 A 72 72 ILE H H 72 7.448 7.732 -0.284 1
1 736 . 1 1 1 A 72 72 ILE HA H 72 4.569 4.349 0.220 1
1 745 . 1 1 1 A 72 72 ILE C C 72 174.450 175.087 -0.637 1
1 746 . 1 1 1 A 72 72 ILE CA C 72 60.281 60.416 -0.135 1
1 747 . 1 1 1 A 72 72 ILE CB C 72 37.826 39.943 -2.117 1
1 751 . 1 1 1 A 72 72 ILE N N 72 118.695 117.644 1.051 1
1 752 . 1 1 1 A 73 73 GLU H H 73 8.767 8.638 0.129 1
1 755 . 1 1 1 A 73 73 GLU C C 73 175.210 175.567 -0.357 1
1 756 . 1 1 1 A 73 73 GLU CA C 73 54.306 54.931 -0.625 1
1 757 . 1 1 1 A 73 73 GLU CB C 73 32.927 31.851 1.076 1
1 758 . 1 1 1 A 73 73 GLU N N 73 126.361 120.786 5.575 1
1 759 . 1 1 1 A 74 74 MET H H 74 8.618 9.100 -0.482 1
1 760 . 1 1 1 A 74 74 MET HA H 74 4.307 4.539 -0.232 1
1 764 . 1 1 1 A 74 74 MET C C 74 175.176 175.676 -0.500 1
1 765 . 1 1 1 A 74 74 MET CA C 74 53.791 54.560 -0.769 1
1 766 . 1 1 1 A 74 74 MET CB C 74 31.127 31.981 -0.854 1
1 768 . 1 1 1 A 74 74 MET N N 74 124.594 124.566 0.028 1
1 769 . 1 1 1 A 75 75 VAL H H 75 8.679 8.795 -0.116 1
1 770 . 1 1 1 A 75 75 VAL HA H 75 3.922 3.908 0.014 1
1 778 . 1 1 1 A 75 75 VAL C C 75 176.056 175.665 0.391 1
1 779 . 1 1 1 A 75 75 VAL CA C 75 64.246 64.212 0.034 1
1 780 . 1 1 1 A 75 75 VAL CB C 75 32.577 32.408 0.169 1
1 783 . 1 1 1 A 75 75 VAL N N 75 128.728 127.025 1.703 1
1 784 . 1 1 1 A 76 76 SER H H 76 7.610 7.692 -0.082 1
1 785 . 1 1 1 A 76 76 SER HA H 76 4.641 4.708 -0.067 1
1 787 . 1 1 1 A 76 76 SER C C 76 171.007 171.714 -0.707 1
1 788 . 1 1 1 A 76 76 SER CA C 76 57.618 57.076 0.542 1
1 789 . 1 1 1 A 76 76 SER CB C 76 65.001 65.523 -0.522 1
1 790 . 1 1 1 A 76 76 SER N N 76 112.117 111.889 0.228 1
1 791 . 1 1 1 A 77 77 ILE H H 77 8.019 8.829 -0.810 1
1 792 . 1 1 1 A 77 77 ILE HA H 77 4.790 4.554 0.236 1
1 802 . 1 1 1 A 77 77 ILE CA C 77 57.476 57.480 -0.004 1
1 803 . 1 1 1 A 77 77 ILE CB C 77 41.550 40.829 0.721 1
1 806 . 1 1 1 A 77 77 ILE N N 77 124.876 123.188 1.688 1
1 807 . 1 1 1 A 78 78 PRO HA H 78 4.662 4.644 0.018 1
1 814 . 1 1 1 A 78 78 PRO C C 78 176.687 175.392 1.295 1
1 815 . 1 1 1 A 78 78 PRO CA C 78 62.854 62.158 0.696 1
1 816 . 1 1 1 A 78 78 PRO CB C 78 36.960 32.900 4.060 1
1 819 . 1 1 1 A 79 79 ASP H H 79 7.912 8.518 -0.606 1
1 820 . 1 1 1 A 79 79 ASP HA H 79 4.980 5.423 -0.443 1
1 823 . 1 1 1 A 79 79 ASP C C 79 175.812 173.913 1.899 1
1 824 . 1 1 1 A 79 79 ASP CA C 79 54.046 52.302 1.744 1
1 825 . 1 1 1 A 79 79 ASP CB C 79 41.269 45.038 -3.769 1
1 826 . 1 1 1 A 79 79 ASP N N 79 118.235 117.296 0.939 1
1 827 . 1 1 1 A 80 80 VAL H H 80 8.641 8.686 -0.045 1
1 828 . 1 1 1 A 80 80 VAL HA H 80 4.623 4.824 -0.201 1
1 836 . 1 1 1 A 80 80 VAL C C 80 172.960 173.207 -0.247 1
1 837 . 1 1 1 A 80 80 VAL CA C 80 60.561 59.752 0.809 1
1 838 . 1 1 1 A 80 80 VAL CB C 80 36.112 35.801 0.311 1
1 841 . 1 1 1 A 80 80 VAL N N 80 116.881 119.579 -2.698 1
1 842 . 1 1 1 A 81 81 THR H H 81 8.304 8.449 -0.145 1
1 843 . 1 1 1 A 81 81 THR HA H 81 5.822 4.981 0.841 1
1 848 . 1 1 1 A 81 81 THR C C 81 173.431 172.987 0.444 1
1 849 . 1 1 1 A 81 81 THR CA C 81 61.014 60.641 0.373 1
1 850 . 1 1 1 A 81 81 THR CB C 81 70.663 71.744 -1.081 1
1 852 . 1 1 1 A 81 81 THR N N 81 123.670 121.392 2.278 1
1 853 . 1 1 1 A 82 82 TYR H H 82 9.293 8.398 0.895 1
1 854 . 1 1 1 A 82 82 TYR HA H 82 5.040 5.157 -0.117 1
1 857 . 1 1 1 A 82 82 TYR C C 82 172.210 172.176 0.034 1
1 858 . 1 1 1 A 82 82 TYR CA C 82 55.640 55.986 -0.346 1
1 859 . 1 1 1 A 82 82 TYR CB C 82 41.461 40.433 1.028 1
1 860 . 1 1 1 A 82 82 TYR N N 82 124.984 121.576 3.408 1
1 861 . 1 1 1 A 83 83 THR H H 83 8.774 8.807 -0.033 1
1 862 . 1 1 1 A 83 83 THR HA H 83 5.150 5.218 -0.068 1
1 864 . 1 1 1 A 83 83 THR C C 83 173.942 173.898 0.044 1
1 865 . 1 1 1 A 83 83 THR CA C 83 61.324 61.311 0.013 1
1 866 . 1 1 1 A 83 83 THR CB C 83 71.117 71.405 -0.288 1
1 867 . 1 1 1 A 83 83 THR N N 83 115.669 114.589 1.080 1
1 868 . 1 1 1 A 84 84 LEU H H 84 8.859 9.030 -0.171 1
1 869 . 1 1 1 A 84 84 LEU HA H 84 5.400 5.197 0.203 1
1 879 . 1 1 1 A 84 84 LEU C C 84 176.575 176.151 0.424 1
1 880 . 1 1 1 A 84 84 LEU CA C 84 52.755 53.186 -0.431 1
1 881 . 1 1 1 A 84 84 LEU CB C 84 44.443 44.240 0.203 1
1 885 . 1 1 1 A 84 84 LEU N N 84 125.146 126.453 -1.307 1
1 886 . 1 1 1 A 85 85 LYS H H 85 9.505 8.810 0.695 1
1 887 . 1 1 1 A 85 85 LYS HA H 85 4.793 5.028 -0.235 1
1 893 . 1 1 1 A 85 85 LYS C C 85 173.593 175.252 -1.659 1
1 894 . 1 1 1 A 85 85 LYS CA C 85 54.002 54.420 -0.418 1
1 895 . 1 1 1 A 85 85 LYS CB C 85 36.173 35.587 0.586 1
1 899 . 1 1 1 A 85 85 LYS N N 85 122.212 122.131 0.081 1
1 900 . 1 1 1 A 86 86 ALA H H 86 8.714 8.660 0.054 1
1 901 . 1 1 1 A 86 86 ALA HA H 86 4.489 4.348 0.141 1
1 905 . 1 1 1 A 86 86 ALA C C 86 178.091 177.123 0.968 1
1 906 . 1 1 1 A 86 86 ALA CA C 86 52.548 52.494 0.054 1
1 907 . 1 1 1 A 86 86 ALA CB C 86 18.787 19.283 -0.496 1
1 908 . 1 1 1 A 86 86 ALA N N 86 123.336 124.748 -1.412 1
1 909 . 1 1 1 A 87 87 LYS H H 87 8.242 8.345 -0.103 1
1 910 . 1 1 1 A 87 87 LYS HA H 87 3.963 4.136 -0.173 1
1 917 . 1 1 1 A 87 87 LYS C C 87 176.384 176.919 -0.535 1
1 918 . 1 1 1 A 87 87 LYS CA C 87 57.672 57.282 0.390 1
1 919 . 1 1 1 A 87 87 LYS CB C 87 33.298 32.624 0.674 1
1 922 . 1 1 1 A 87 87 LYS N N 87 122.855 121.961 0.894 1
1 923 . 1 1 1 A 88 88 GLU H H 88 8.485 8.776 -0.291 1
1 924 . 1 1 1 A 88 88 GLU HA H 88 4.305 4.503 -0.198 1
1 926 . 1 1 1 A 88 88 GLU C C 88 175.437 175.549 -0.112 1
1 927 . 1 1 1 A 88 88 GLU CA C 88 55.863 56.118 -0.255 1
1 928 . 1 1 1 A 88 88 GLU CB C 88 30.831 28.916 1.915 1
1 929 . 1 1 1 A 88 88 GLU N N 88 122.851 125.879 -3.028 1
1 930 . 1 1 1 A 89 89 ASP H H 89 8.522 7.590 0.932 1
1 931 . 1 1 1 A 89 89 ASP HA H 89 4.840 4.904 -0.064 1
1 934 . 1 1 1 A 89 89 ASP CA C 89 52.036 52.906 -0.870 1
1 935 . 1 1 1 A 89 89 ASP CB C 89 41.551 40.333 1.218 1
1 936 . 1 1 1 A 89 89 ASP N N 89 123.882 120.391 3.491 1
1 937 . 1 1 1 A 90 90 PRO HA H 90 4.387 4.426 -0.039 1
1 942 . 1 1 1 A 90 90 PRO C C 90 177.292 176.425 0.867 1
1 943 . 1 1 1 A 90 90 PRO CA C 90 63.694 63.661 0.033 1
1 944 . 1 1 1 A 90 90 PRO CB C 90 32.270 32.062 0.208 1
1 947 . 1 1 1 A 91 91 LEU H H 91 8.340 7.936 0.404 1
1 948 . 1 1 1 A 91 91 LEU HA H 91 4.230 4.109 0.121 1
1 958 . 1 1 1 A 91 91 LEU C C 91 177.668 175.046 2.622 1
1 959 . 1 1 1 A 91 91 LEU CA C 91 55.381 56.517 -1.136 1
1 960 . 1 1 1 A 91 91 LEU CB C 91 41.733 39.772 1.961 1
1 964 . 1 1 1 A 91 91 LEU N N 91 120.251 117.880 2.371 1
1 965 . 1 1 1 A 92 92 GLU H H 92 7.977 7.736 0.241 1
1 966 . 1 1 1 A 92 92 GLU C C 92 176.310 175.312 0.998 1
1 967 . 1 1 1 A 92 92 GLU CA C 92 56.745 55.449 1.296 1
1 968 . 1 1 1 A 92 92 GLU CB C 92 30.187 29.295 0.892 1
1 969 . 1 1 1 A 92 92 GLU N N 92 120.217 119.760 0.457 1
1 970 . 1 1 1 A 93 93 HIS H H 93 8.242 8.865 -0.623 1
1 972 . 1 1 1 A 93 93 HIS C C 93 173.935 176.037 -2.102 1
1 973 . 1 1 1 A 93 93 HIS CA C 93 55.918 57.328 -1.410 1
1 974 . 1 1 1 A 93 93 HIS CB C 93 29.960 31.713 -1.753 1
1 975 . 1 1 1 A 93 93 HIS N N 93 119.107 125.302 -6.195 1
1 976 . 1 1 1 A 94 94 HIS H H 94 8.164 8.248 -0.084 1
1 977 . 1 1 1 A 94 94 HIS CA C 94 57.235 59.916 -2.681 1
1 978 . 1 1 1 A 94 94 HIS CB C 94 30.225 29.633 0.592 1
1 1 . 2 1 1 A 6 6 ASP C C 6 174.750 175.843 -1.093 1
1 2 . 2 1 1 A 6 6 ASP CA C 6 55.079 56.306 -1.227 1
1 3 . 2 1 1 A 6 6 ASP CB C 6 38.799 40.597 -1.798 1
1 4 . 2 1 1 A 7 7 LEU H H 7 9.403 7.693 1.710 1
1 14 . 2 1 1 A 7 7 LEU CA C 7 53.136 51.480 1.656 1
1 15 . 2 1 1 A 7 7 LEU CB C 7 41.601 42.684 -1.083 1
1 18 . 2 1 1 A 7 7 LEU N N 7 123.103 119.476 3.627 1
1 19 . 2 1 1 A 8 8 PRO HA H 8 4.880 4.427 0.453 1
1 21 . 2 1 1 A 8 8 PRO C C 8 175.617 175.703 -0.086 1
1 22 . 2 1 1 A 8 8 PRO CA C 8 61.559 61.989 -0.430 1
1 23 . 2 1 1 A 8 8 PRO CB C 8 32.973 29.104 3.869 1
1 24 . 2 1 1 A 9 9 ILE H H 9 8.721 7.999 0.722 1
1 25 . 2 1 1 A 9 9 ILE HA H 9 4.156 4.370 -0.214 1
1 35 . 2 1 1 A 9 9 ILE C C 9 175.726 175.592 0.134 1
1 36 . 2 1 1 A 9 9 ILE CA C 9 60.104 61.113 -1.009 1
1 37 . 2 1 1 A 9 9 ILE CB C 9 41.286 37.823 3.463 1
1 40 . 2 1 1 A 9 9 ILE N N 9 118.531 123.592 -5.061 1
1 41 . 2 1 1 A 10 10 VAL H H 10 8.229 8.991 -0.762 1
1 42 . 2 1 1 A 10 10 VAL HA H 10 4.146 4.730 -0.584 1
1 50 . 2 1 1 A 10 10 VAL C C 10 174.221 174.957 -0.736 1
1 51 . 2 1 1 A 10 10 VAL CA C 10 62.271 61.050 1.221 1
1 52 . 2 1 1 A 10 10 VAL CB C 10 33.507 33.955 -0.448 1
1 55 . 2 1 1 A 10 10 VAL N N 10 126.782 127.924 -1.142 1
1 56 . 2 1 1 A 11 11 LEU H H 11 8.533 9.124 -0.591 1
1 57 . 2 1 1 A 11 11 LEU HA H 11 4.615 5.334 -0.719 1
1 67 . 2 1 1 A 11 11 LEU C C 11 176.048 176.386 -0.338 1
1 68 . 2 1 1 A 11 11 LEU CA C 11 54.172 53.634 0.538 1
1 69 . 2 1 1 A 11 11 LEU CB C 11 42.865 45.804 -2.939 1
1 72 . 2 1 1 A 11 11 LEU N N 11 128.336 126.945 1.391 1
1 73 . 2 1 1 A 12 12 ARG H H 12 9.076 8.799 0.277 1
1 74 . 2 1 1 A 12 12 ARG HA H 12 4.620 4.593 0.027 1
1 81 . 2 1 1 A 12 12 ARG C C 12 175.198 176.827 -1.629 1
1 82 . 2 1 1 A 12 12 ARG CA C 12 55.178 56.823 -1.645 1
1 83 . 2 1 1 A 12 12 ARG CB C 12 33.105 32.294 0.811 1
1 86 . 2 1 1 A 12 12 ARG N N 12 126.410 119.905 6.505 1
1 87 . 2 1 1 A 13 13 ASN H H 13 8.914 8.804 0.110 1
1 88 . 2 1 1 A 13 13 ASN HA H 13 4.167 4.733 -0.566 1
1 91 . 2 1 1 A 13 13 ASN C C 13 174.200 175.333 -1.133 1
1 92 . 2 1 1 A 13 13 ASN CA C 13 54.189 55.036 -0.847 1
1 93 . 2 1 1 A 13 13 ASN CB C 13 37.053 37.937 -0.884 1
1 94 . 2 1 1 A 13 13 ASN N N 13 115.665 117.510 -1.845 1
1 95 . 2 1 1 A 14 14 LEU H H 14 8.096 8.119 -0.023 1
1 96 . 2 1 1 A 14 14 LEU HA H 14 4.160 4.474 -0.314 1
1 106 . 2 1 1 A 14 14 LEU CA C 14 53.789 51.995 1.794 1
1 107 . 2 1 1 A 14 14 LEU CB C 14 42.801 41.904 0.897 1
1 111 . 2 1 1 A 14 14 LEU N N 14 121.110 121.674 -0.564 1
1 112 . 2 1 1 A 15 15 PRO HA H 15 4.400 4.555 -0.155 1
1 118 . 2 1 1 A 15 15 PRO C C 15 176.937 177.478 -0.541 1
1 119 . 2 1 1 A 15 15 PRO CA C 15 63.627 63.079 0.548 1
1 120 . 2 1 1 A 15 15 PRO CB C 15 32.770 32.740 0.030 1
1 123 . 2 1 1 A 16 16 GLU H H 16 8.472 8.685 -0.213 1
1 124 . 2 1 1 A 16 16 GLU HA H 16 4.083 4.068 0.015 1
1 126 . 2 1 1 A 16 16 GLU C C 16 176.530 177.141 -0.611 1
1 127 . 2 1 1 A 16 16 GLU CA C 16 58.767 58.890 -0.123 1
1 128 . 2 1 1 A 16 16 GLU CB C 16 29.951 29.243 0.708 1
1 129 . 2 1 1 A 16 16 GLU N N 16 119.567 122.135 -2.568 1
1 130 . 2 1 1 A 17 17 ASP H H 17 8.654 7.949 0.705 1
1 131 . 2 1 1 A 17 17 ASP HA H 17 4.600 4.727 -0.127 1
1 134 . 2 1 1 A 17 17 ASP C C 17 175.057 175.127 -0.070 1
1 135 . 2 1 1 A 17 17 ASP CA C 17 54.212 54.134 0.078 1
1 136 . 2 1 1 A 17 17 ASP CB C 17 40.065 41.648 -1.583 1
1 137 . 2 1 1 A 17 17 ASP N N 17 114.516 118.279 -3.763 1
1 138 . 2 1 1 A 18 18 LEU H H 18 7.814 7.877 -0.063 1
1 139 . 2 1 1 A 18 18 LEU HA H 18 5.260 4.923 0.337 1
1 149 . 2 1 1 A 18 18 LEU C C 18 174.434 174.428 0.006 1
1 150 . 2 1 1 A 18 18 LEU CA C 18 53.620 54.146 -0.526 1
1 151 . 2 1 1 A 18 18 LEU CB C 18 46.147 46.322 -0.175 1
1 155 . 2 1 1 A 18 18 LEU N N 18 120.789 120.393 0.396 1
1 156 . 2 1 1 A 19 19 VAL H H 19 8.931 8.314 0.617 1
1 157 . 2 1 1 A 19 19 VAL HA H 19 4.600 5.042 -0.442 1
1 165 . 2 1 1 A 19 19 VAL C C 19 175.054 173.383 1.671 1
1 166 . 2 1 1 A 19 19 VAL CA C 19 59.348 59.129 0.219 1
1 167 . 2 1 1 A 19 19 VAL CB C 19 36.380 36.292 0.088 1
1 170 . 2 1 1 A 19 19 VAL N N 19 111.130 118.067 -6.937 1
1 171 . 2 1 1 A 20 20 LEU H H 20 8.339 8.680 -0.341 1
1 172 . 2 1 1 A 20 20 LEU HA H 20 4.704 5.320 -0.616 1
1 182 . 2 1 1 A 20 20 LEU C C 20 178.790 176.225 2.565 1
1 183 . 2 1 1 A 20 20 LEU CA C 20 55.095 53.234 1.861 1
1 184 . 2 1 1 A 20 20 LEU CB C 20 42.647 46.086 -3.439 1
1 188 . 2 1 1 A 20 20 LEU N N 20 122.936 124.355 -1.419 1
1 189 . 2 1 1 A 21 21 GLU H H 21 8.851 8.969 -0.118 1
1 190 . 2 1 1 A 21 21 GLU HA H 21 3.880 4.358 -0.478 1
1 194 . 2 1 1 A 21 21 GLU C C 21 175.661 175.690 -0.029 1
1 195 . 2 1 1 A 21 21 GLU CA C 21 59.434 56.244 3.190 1
1 196 . 2 1 1 A 21 21 GLU CB C 21 31.125 29.381 1.744 1
1 198 . 2 1 1 A 21 21 GLU N N 21 124.719 122.679 2.040 1
1 199 . 2 1 1 A 22 22 LYS H H 22 7.591 8.525 -0.934 1
1 200 . 2 1 1 A 22 22 LYS HA H 22 4.760 4.412 0.348 1
1 203 . 2 1 1 A 22 22 LYS CA C 22 53.277 57.229 -3.952 1
1 204 . 2 1 1 A 22 22 LYS CB C 22 34.301 31.744 2.557 1
1 205 . 2 1 1 A 22 22 LYS N N 22 115.055 115.354 -0.299 1
1 206 . 2 1 1 A 23 23 PRO HA H 23 4.343 4.433 -0.090 1
1 213 . 2 1 1 A 23 23 PRO C C 23 176.657 176.358 0.299 1
1 214 . 2 1 1 A 23 23 PRO CA C 23 62.800 63.720 -0.920 1
1 215 . 2 1 1 A 23 23 PRO CB C 23 32.360 32.126 0.234 1
1 218 . 2 1 1 A 24 24 LEU H H 24 8.507 7.807 0.700 1
1 219 . 2 1 1 A 24 24 LEU HA H 24 4.460 3.827 0.633 1
1 225 . 2 1 1 A 24 24 LEU CA C 24 53.311 55.674 -2.363 1
1 226 . 2 1 1 A 24 24 LEU CB C 24 40.716 40.651 0.065 1
1 228 . 2 1 1 A 24 24 LEU N N 24 121.875 116.556 5.319 1
1 229 . 2 1 1 A 25 25 PRO HA H 25 4.560 4.235 0.325 1
1 232 . 2 1 1 A 25 25 PRO C C 25 176.019 177.952 -1.933 1
1 233 . 2 1 1 A 25 25 PRO CA C 25 62.448 65.224 -2.776 1
1 234 . 2 1 1 A 25 25 PRO CB C 25 32.035 31.935 0.100 1
1 235 . 2 1 1 A 26 26 GLU H H 26 7.828 8.841 -1.013 1
1 236 . 2 1 1 A 26 26 GLU HA H 26 4.790 4.169 0.621 1
1 239 . 2 1 1 A 26 26 GLU C C 26 178.159 175.894 2.265 1
1 240 . 2 1 1 A 26 26 GLU CA C 26 55.700 57.172 -1.472 1
1 241 . 2 1 1 A 26 26 GLU CB C 26 30.291 28.671 1.620 1
1 242 . 2 1 1 A 26 26 GLU N N 26 117.053 115.918 1.135 1
1 243 . 2 1 1 A 27 27 VAL H H 27 8.863 10.536 -1.673 1
1 244 . 2 1 1 A 27 27 VAL HA H 27 4.830 4.183 0.647 1
1 252 . 2 1 1 A 27 27 VAL C C 27 174.041 175.348 -1.307 1
1 253 . 2 1 1 A 27 27 VAL CA C 27 59.788 61.561 -1.773 1
1 254 . 2 1 1 A 27 27 VAL CB C 27 35.937 32.856 3.081 1
1 257 . 2 1 1 A 27 27 VAL N N 27 114.437 121.098 -6.661 1
1 258 . 2 1 1 A 28 28 SER H H 28 7.870 8.689 -0.819 1
1 259 . 2 1 1 A 28 28 SER HA H 28 5.360 4.901 0.459 1
1 261 . 2 1 1 A 28 28 SER CA C 28 55.629 58.062 -2.433 1
1 262 . 2 1 1 A 28 28 SER CB C 28 65.215 64.314 0.901 1
1 263 . 2 1 1 A 28 28 SER N N 28 114.263 121.920 -7.657 1
1 264 . 2 1 1 A 29 29 VAL HA H 29 4.960 4.791 0.169 1
1 272 . 2 1 1 A 29 29 VAL C C 29 174.289 174.701 -0.412 1
1 273 . 2 1 1 A 29 29 VAL CA C 29 58.515 60.569 -2.054 1
1 274 . 2 1 1 A 29 29 VAL CB C 29 34.903 36.091 -1.188 1
1 277 . 2 1 1 A 30 30 THR H H 30 8.579 8.891 -0.312 1
1 278 . 2 1 1 A 30 30 THR HA H 30 5.240 4.768 0.472 1
1 283 . 2 1 1 A 30 30 THR C C 30 173.452 173.473 -0.021 1
1 284 . 2 1 1 A 30 30 THR CA C 30 61.702 60.352 1.350 1
1 285 . 2 1 1 A 30 30 THR CB C 30 70.283 68.910 1.373 1
1 287 . 2 1 1 A 30 30 THR N N 30 118.278 121.493 -3.215 1
1 288 . 2 1 1 A 31 31 ILE H H 31 8.919 7.694 1.225 1
1 289 . 2 1 1 A 31 31 ILE HA H 31 5.138 4.930 0.208 1
1 299 . 2 1 1 A 31 31 ILE C C 31 173.712 175.049 -1.337 1
1 300 . 2 1 1 A 31 31 ILE CA C 31 59.199 59.666 -0.467 1
1 301 . 2 1 1 A 31 31 ILE CB C 31 41.425 41.184 0.241 1
1 305 . 2 1 1 A 31 31 ILE N N 31 119.853 123.199 -3.346 1
1 306 . 2 1 1 A 32 32 ARG H H 32 8.715 8.587 0.128 1
1 307 . 2 1 1 A 32 32 ARG C C 32 173.382 174.842 -1.460 1
1 308 . 2 1 1 A 32 32 ARG CA C 32 55.308 55.493 -0.185 1
1 309 . 2 1 1 A 32 32 ARG CB C 32 34.457 33.529 0.928 1
1 310 . 2 1 1 A 32 32 ARG N N 32 118.433 125.565 -7.132 1
1 311 . 2 1 1 A 33 33 ALA H H 33 7.873 8.638 -0.765 1
1 312 . 2 1 1 A 33 33 ALA HA H 33 4.510 4.479 0.031 1
1 316 . 2 1 1 A 33 33 ALA C C 33 175.205 176.657 -1.452 1
1 317 . 2 1 1 A 33 33 ALA CA C 33 51.365 50.189 1.176 1
1 318 . 2 1 1 A 33 33 ALA CB C 33 23.433 20.649 2.784 1
1 319 . 2 1 1 A 33 33 ALA N N 33 123.018 129.050 -6.032 1
1 320 . 2 1 1 A 34 34 TYR H H 34 8.171 8.597 -0.426 1
1 321 . 2 1 1 A 34 34 TYR HA H 34 4.860 4.613 0.247 1
1 324 . 2 1 1 A 34 34 TYR CA C 34 56.646 57.368 -0.722 1
1 325 . 2 1 1 A 34 34 TYR CB C 34 36.668 38.718 -2.050 1
1 326 . 2 1 1 A 34 34 TYR N N 34 118.901 117.317 1.584 1
1 327 . 2 1 1 A 35 35 PRO HA H 35 4.100 4.295 -0.195 1
1 330 . 2 1 1 A 35 35 PRO C C 35 177.893 179.013 -1.120 1
1 331 . 2 1 1 A 35 35 PRO CA C 35 66.575 65.664 0.911 1
1 332 . 2 1 1 A 35 35 PRO CB C 35 32.036 31.899 0.137 1
1 333 . 2 1 1 A 36 36 GLU H H 36 9.144 8.407 0.737 1
1 334 . 2 1 1 A 36 36 GLU HA H 36 4.090 4.103 -0.013 1
1 337 . 2 1 1 A 36 36 GLU C C 36 178.276 179.397 -1.121 1
1 338 . 2 1 1 A 36 36 GLU CA C 36 59.597 59.715 -0.118 1
1 339 . 2 1 1 A 36 36 GLU CB C 36 28.790 29.324 -0.534 1
1 340 . 2 1 1 A 36 36 GLU N N 36 115.616 117.601 -1.985 1
1 341 . 2 1 1 A 37 37 ILE H H 37 7.227 7.998 -0.771 1
1 342 . 2 1 1 A 37 37 ILE HA H 37 4.020 3.839 0.181 1
1 352 . 2 1 1 A 37 37 ILE C C 37 178.767 178.629 0.138 1
1 353 . 2 1 1 A 37 37 ILE CA C 37 62.612 64.345 -1.733 1
1 354 . 2 1 1 A 37 37 ILE CB C 37 37.690 37.434 0.256 1
1 358 . 2 1 1 A 37 37 ILE N N 37 117.970 120.378 -2.408 1
1 359 . 2 1 1 A 38 38 LEU H H 38 7.737 7.765 -0.028 1
1 360 . 2 1 1 A 38 38 LEU HA H 38 3.860 4.158 -0.298 1
1 370 . 2 1 1 A 38 38 LEU C C 38 179.021 178.834 0.187 1
1 371 . 2 1 1 A 38 38 LEU CA C 38 57.346 56.715 0.631 1
1 372 . 2 1 1 A 38 38 LEU CB C 38 41.634 41.963 -0.329 1
1 376 . 2 1 1 A 38 38 LEU N N 38 119.122 122.077 -2.955 1
1 377 . 2 1 1 A 39 39 ASN H H 39 8.347 8.795 -0.448 1
1 378 . 2 1 1 A 39 39 ASN HA H 39 4.440 4.477 -0.037 1
1 380 . 2 1 1 A 39 39 ASN C C 39 175.797 176.585 -0.788 1
1 381 . 2 1 1 A 39 39 ASN CA C 39 55.237 56.565 -1.328 1
1 382 . 2 1 1 A 39 39 ASN CB C 39 38.282 38.362 -0.080 1
1 383 . 2 1 1 A 39 39 ASN N N 39 115.266 117.997 -2.731 1
1 384 . 2 1 1 A 40 40 ASN H H 40 7.279 7.960 -0.681 1
1 385 . 2 1 1 A 40 40 ASN HA H 40 4.842 4.921 -0.079 1
1 388 . 2 1 1 A 40 40 ASN C C 40 174.085 173.696 0.389 1
1 389 . 2 1 1 A 40 40 ASN CA C 40 52.778 52.946 -0.168 1
1 390 . 2 1 1 A 40 40 ASN CB C 40 39.998 38.972 1.026 1
1 391 . 2 1 1 A 40 40 ASN N N 40 115.166 114.871 0.295 1
1 392 . 2 1 1 A 41 41 LEU H H 41 7.151 7.173 -0.022 1
1 393 . 2 1 1 A 41 41 LEU HA H 41 4.420 5.050 -0.630 1
1 403 . 2 1 1 A 41 41 LEU C C 41 176.343 174.790 1.553 1
1 404 . 2 1 1 A 41 41 LEU CA C 41 55.639 53.288 2.351 1
1 405 . 2 1 1 A 41 41 LEU CB C 41 43.186 45.091 -1.905 1
1 409 . 2 1 1 A 41 41 LEU N N 41 122.633 122.332 0.301 1
1 410 . 2 1 1 A 42 42 THR H H 42 8.040 8.728 -0.688 1
1 411 . 2 1 1 A 42 42 THR HA H 42 4.770 4.782 -0.012 1
1 416 . 2 1 1 A 42 42 THR C C 42 175.548 175.249 0.299 1
1 417 . 2 1 1 A 42 42 THR CA C 42 59.354 59.443 -0.089 1
1 418 . 2 1 1 A 42 42 THR CB C 42 71.538 71.164 0.374 1
1 420 . 2 1 1 A 42 42 THR N N 42 117.269 118.915 -1.646 1
1 421 . 2 1 1 A 43 43 LYS H H 43 8.841 8.883 -0.042 1
1 422 . 2 1 1 A 43 43 LYS HA H 43 3.780 4.025 -0.245 1
1 428 . 2 1 1 A 43 43 LYS C C 43 177.649 178.459 -0.810 1
1 429 . 2 1 1 A 43 43 LYS CA C 43 59.948 59.001 0.947 1
1 430 . 2 1 1 A 43 43 LYS CB C 43 32.318 32.452 -0.134 1
1 432 . 2 1 1 A 43 43 LYS N N 43 120.046 123.477 -3.431 1
1 433 . 2 1 1 A 44 44 GLU H H 44 8.565 7.992 0.573 1
1 434 . 2 1 1 A 44 44 GLU HA H 44 4.200 4.117 0.083 1
1 438 . 2 1 1 A 44 44 GLU C C 44 177.413 179.292 -1.879 1
1 439 . 2 1 1 A 44 44 GLU CA C 44 58.761 59.137 -0.376 1
1 440 . 2 1 1 A 44 44 GLU CB C 44 28.613 29.269 -0.656 1
1 441 . 2 1 1 A 44 44 GLU N N 44 117.096 119.443 -2.347 1
1 442 . 2 1 1 A 45 45 GLN H H 45 7.667 7.952 -0.285 1
1 443 . 2 1 1 A 45 45 GLN HA H 45 4.230 4.112 0.118 1
1 446 . 2 1 1 A 45 45 GLN C C 45 174.680 176.496 -1.816 1
1 447 . 2 1 1 A 45 45 GLN CA C 45 56.637 58.487 -1.850 1
1 448 . 2 1 1 A 45 45 GLN CB C 45 30.099 29.016 1.083 1
1 449 . 2 1 1 A 45 45 GLN N N 45 116.509 118.940 -2.431 1
1 450 . 2 1 1 A 46 46 ILE H H 46 7.595 7.459 0.136 1
1 451 . 2 1 1 A 46 46 ILE HA H 46 4.385 4.019 0.366 1
1 461 . 2 1 1 A 46 46 ILE C C 46 174.202 175.639 -1.437 1
1 462 . 2 1 1 A 46 46 ILE CA C 46 60.775 62.388 -1.613 1
1 463 . 2 1 1 A 46 46 ILE CB C 46 38.470 37.983 0.487 1
1 467 . 2 1 1 A 46 46 ILE N N 46 120.018 120.548 -0.530 1
1 468 . 2 1 1 A 47 47 SER H H 47 7.948 8.517 -0.569 1
1 469 . 2 1 1 A 47 47 SER HA H 47 4.915 4.874 0.041 1
1 472 . 2 1 1 A 47 47 SER C C 47 172.724 173.505 -0.781 1
1 473 . 2 1 1 A 47 47 SER CA C 47 57.092 58.254 -1.162 1
1 474 . 2 1 1 A 47 47 SER CB C 47 64.837 62.271 2.566 1
1 475 . 2 1 1 A 47 47 SER N N 47 120.935 125.068 -4.133 1
1 476 . 2 1 1 A 48 48 LEU H H 48 8.665 8.830 -0.165 1
1 477 . 2 1 1 A 48 48 LEU HA H 48 5.707 5.184 0.523 1
1 487 . 2 1 1 A 48 48 LEU C C 48 177.942 176.377 1.565 1
1 488 . 2 1 1 A 48 48 LEU CA C 48 53.244 54.249 -1.005 1
1 489 . 2 1 1 A 48 48 LEU CB C 48 44.148 43.480 0.668 1
1 493 . 2 1 1 A 48 48 LEU N N 48 124.499 126.730 -2.231 1
1 494 . 2 1 1 A 49 49 TRP H H 49 9.205 8.797 0.408 1
1 495 . 2 1 1 A 49 49 TRP HA H 49 5.819 5.082 0.737 1
1 498 . 2 1 1 A 49 49 TRP C C 49 172.596 174.196 -1.600 1
1 499 . 2 1 1 A 49 49 TRP CA C 49 57.390 57.496 -0.106 1
1 500 . 2 1 1 A 49 49 TRP CB C 49 32.341 32.918 -0.577 1
1 501 . 2 1 1 A 49 49 TRP N N 49 122.571 125.612 -3.041 1
1 503 . 2 1 1 A 50 50 ILE H H 50 8.559 8.992 -0.433 1
1 504 . 2 1 1 A 50 50 ILE HA H 50 4.570 4.303 0.267 1
1 514 . 2 1 1 A 50 50 ILE C C 50 174.443 173.979 0.464 1
1 515 . 2 1 1 A 50 50 ILE CA C 50 59.706 59.632 0.074 1
1 516 . 2 1 1 A 50 50 ILE CB C 50 42.605 39.495 3.110 1
1 520 . 2 1 1 A 50 50 ILE N N 50 113.357 127.419 -14.062 1
1 521 . 2 1 1 A 51 51 ASP H H 51 8.497 8.473 0.024 1
1 522 . 2 1 1 A 51 51 ASP HA H 51 5.226 4.739 0.487 1
1 525 . 2 1 1 A 51 51 ASP C C 51 177.162 176.467 0.695 1
1 526 . 2 1 1 A 51 51 ASP CA C 51 52.584 52.659 -0.075 1
1 527 . 2 1 1 A 51 51 ASP CB C 51 43.343 40.241 3.102 1
1 528 . 2 1 1 A 51 51 ASP N N 51 122.696 126.827 -4.131 1
1 529 . 2 1 1 A 52 52 ALA H H 52 9.021 8.691 0.330 1
1 530 . 2 1 1 A 52 52 ALA HA H 52 4.410 4.640 -0.230 1
1 534 . 2 1 1 A 52 52 ALA C C 52 174.841 176.933 -2.092 1
1 535 . 2 1 1 A 52 52 ALA CA C 52 51.807 51.295 0.512 1
1 536 . 2 1 1 A 52 52 ALA CB C 52 18.117 19.222 -1.105 1
1 537 . 2 1 1 A 52 52 ALA N N 52 131.046 129.744 1.302 1
1 538 . 2 1 1 A 53 53 THR H H 53 8.250 7.359 0.891 1
1 539 . 2 1 1 A 53 53 THR HA H 53 3.880 4.155 -0.275 1
1 544 . 2 1 1 A 53 53 THR C C 53 177.316 175.752 1.564 1
1 545 . 2 1 1 A 53 53 THR CA C 53 66.288 63.814 2.474 1
1 546 . 2 1 1 A 53 53 THR CB C 53 68.896 68.678 0.218 1
1 548 . 2 1 1 A 53 53 THR N N 53 116.426 114.669 1.757 1
1 549 . 2 1 1 A 54 54 GLY H H 54 9.304 8.986 0.318 1
1 550 . 2 1 1 A 54 54 GLY HA2 H 54 3.950 4.000 -0.050 1
1 551 . 2 1 1 A 54 54 GLY HA3 H 54 3.770 4.010 -0.240 1
1 552 . 2 1 1 A 54 54 GLY C C 54 174.142 174.452 -0.310 1
1 553 . 2 1 1 A 54 54 GLY CA C 54 45.832 44.980 0.852 1
1 554 . 2 1 1 A 54 54 GLY N N 54 115.462 116.995 -1.533 1
1 555 . 2 1 1 A 55 55 LYS H H 55 7.588 7.881 -0.293 1
1 556 . 2 1 1 A 55 55 LYS HA H 55 4.067 4.198 -0.131 1
1 565 . 2 1 1 A 55 55 LYS C C 55 174.805 175.531 -0.726 1
1 566 . 2 1 1 A 55 55 LYS CA C 55 54.856 57.153 -2.297 1
1 567 . 2 1 1 A 55 55 LYS CB C 55 32.971 33.631 -0.660 1
1 571 . 2 1 1 A 55 55 LYS N N 55 120.231 121.364 -1.133 1
1 572 . 2 1 1 A 56 56 ALA H H 56 7.619 8.580 -0.961 1
1 573 . 2 1 1 A 56 56 ALA HA H 56 4.620 4.765 -0.145 1
1 577 . 2 1 1 A 56 56 ALA C C 56 177.034 176.535 0.499 1
1 578 . 2 1 1 A 56 56 ALA CA C 56 49.962 51.227 -1.265 1
1 579 . 2 1 1 A 56 56 ALA CB C 56 21.814 22.970 -1.156 1
1 580 . 2 1 1 A 56 56 ALA N N 56 121.951 120.800 1.151 1
1 581 . 2 1 1 A 57 57 VAL H H 57 7.896 8.506 -0.610 1
1 582 . 2 1 1 A 57 57 VAL HA H 57 3.520 3.705 -0.185 1
1 590 . 2 1 1 A 57 57 VAL C C 57 175.691 176.427 -0.736 1
1 591 . 2 1 1 A 57 57 VAL CA C 57 64.652 65.048 -0.396 1
1 592 . 2 1 1 A 57 57 VAL CB C 57 32.644 31.466 1.178 1
1 595 . 2 1 1 A 57 57 VAL N N 57 116.475 119.159 -2.684 1
1 596 . 2 1 1 A 58 58 GLY H H 58 8.429 8.649 -0.220 1
1 597 . 2 1 1 A 58 58 GLY HA2 H 58 4.442 4.058 0.384 1
1 598 . 2 1 1 A 58 58 GLY HA3 H 58 3.739 4.072 -0.333 1
1 599 . 2 1 1 A 58 58 GLY C C 58 170.877 171.836 -0.959 1
1 600 . 2 1 1 A 58 58 GLY CA C 58 43.207 44.304 -1.097 1
1 601 . 2 1 1 A 58 58 GLY N N 58 113.209 112.079 1.130 1
1 602 . 2 1 1 A 59 59 GLU H H 59 8.017 8.258 -0.241 1
1 603 . 2 1 1 A 59 59 GLU HA H 59 4.690 5.350 -0.660 1
1 606 . 2 1 1 A 59 59 GLU C C 59 175.309 174.258 1.051 1
1 607 . 2 1 1 A 59 59 GLU CA C 59 55.370 54.371 0.999 1
1 608 . 2 1 1 A 59 59 GLU CB C 59 32.114 32.699 -0.585 1
1 610 . 2 1 1 A 59 59 GLU N N 59 119.976 118.904 1.072 1
1 611 . 2 1 1 A 60 60 HIS H H 60 9.001 8.967 0.034 1
1 612 . 2 1 1 A 60 60 HIS HA H 60 4.637 4.981 -0.344 1
1 615 . 2 1 1 A 60 60 HIS C C 60 173.585 174.004 -0.419 1
1 616 . 2 1 1 A 60 60 HIS CA C 60 55.364 54.717 0.647 1
1 617 . 2 1 1 A 60 60 HIS CB C 60 33.699 33.413 0.286 1
1 618 . 2 1 1 A 60 60 HIS N N 60 125.266 120.551 4.715 1
1 619 . 2 1 1 A 61 61 THR H H 61 8.712 8.699 0.013 1
1 620 . 2 1 1 A 61 61 THR HA H 61 5.333 4.845 0.488 1
1 625 . 2 1 1 A 61 61 THR C C 61 175.155 173.759 1.396 1
1 626 . 2 1 1 A 61 61 THR CA C 61 62.600 62.291 0.309 1
1 627 . 2 1 1 A 61 61 THR CB C 61 69.914 69.794 0.120 1
1 628 . 2 1 1 A 61 61 THR N N 61 120.973 117.677 3.296 1
1 629 . 2 1 1 A 62 62 VAL H H 62 9.313 8.845 0.468 1
1 630 . 2 1 1 A 62 62 VAL HA H 62 4.910 4.810 0.100 1
1 638 . 2 1 1 A 62 62 VAL C C 62 173.545 174.259 -0.714 1
1 639 . 2 1 1 A 62 62 VAL CA C 62 58.734 59.252 -0.518 1
1 640 . 2 1 1 A 62 62 VAL CB C 62 36.638 35.374 1.264 1
1 643 . 2 1 1 A 62 62 VAL N N 62 120.591 120.502 0.089 1
1 644 . 2 1 1 A 63 63 LYS H H 63 7.815 8.648 -0.833 1
1 645 . 2 1 1 A 63 63 LYS HA H 63 4.552 4.599 -0.047 1
1 650 . 2 1 1 A 63 63 LYS C C 63 175.805 175.326 0.479 1
1 651 . 2 1 1 A 63 63 LYS CA C 63 54.680 55.457 -0.777 1
1 652 . 2 1 1 A 63 63 LYS CB C 63 32.896 33.754 -0.858 1
1 656 . 2 1 1 A 63 63 LYS N N 63 118.768 123.685 -4.917 1
1 657 . 2 1 1 A 64 64 ILE H H 64 8.349 8.343 0.006 1
1 658 . 2 1 1 A 64 64 ILE HA H 64 3.870 4.563 -0.693 1
1 668 . 2 1 1 A 64 64 ILE C C 64 175.894 174.097 1.797 1
1 669 . 2 1 1 A 64 64 ILE CA C 64 61.324 59.836 1.488 1
1 670 . 2 1 1 A 64 64 ILE CB C 64 39.638 39.670 -0.032 1
1 674 . 2 1 1 A 64 64 ILE N N 64 121.703 122.023 -0.320 1
1 675 . 2 1 1 A 65 65 TYR H H 65 8.491 8.208 0.283 1
1 676 . 2 1 1 A 65 65 TYR CA C 65 57.180 55.760 1.420 1
1 677 . 2 1 1 A 65 65 TYR CB C 65 37.490 38.550 -1.060 1
1 678 . 2 1 1 A 65 65 TYR N N 65 125.077 125.569 -0.492 1
1 680 . 2 1 1 A 66 66 TRP C C 66 175.586 175.403 0.183 1
1 681 . 2 1 1 A 66 66 TRP CB C 66 33.607 31.002 2.605 1
1 683 . 2 1 1 A 67 67 GLN H H 67 9.048 8.786 0.262 1
1 684 . 2 1 1 A 67 67 GLN HA H 67 4.751 5.085 -0.334 1
1 687 . 2 1 1 A 67 67 GLN C C 67 174.057 174.373 -0.316 1
1 688 . 2 1 1 A 67 67 GLN CA C 67 56.338 54.826 1.512 1
1 689 . 2 1 1 A 67 67 GLN CB C 67 32.401 32.651 -0.250 1
1 690 . 2 1 1 A 67 67 GLN N N 67 119.746 120.099 -0.353 1
1 691 . 2 1 1 A 68 68 LEU H H 68 8.898 8.975 -0.077 1
1 692 . 2 1 1 A 68 68 LEU HA H 68 5.160 5.038 0.122 1
1 702 . 2 1 1 A 68 68 LEU CA C 68 51.902 51.047 0.855 1
1 703 . 2 1 1 A 68 68 LEU CB C 68 45.191 44.421 0.770 1
1 707 . 2 1 1 A 68 68 LEU N N 68 126.170 123.484 2.686 1
1 708 . 2 1 1 A 69 69 PRO HA H 69 4.511 4.641 -0.130 1
1 715 . 2 1 1 A 69 69 PRO C C 69 175.054 176.224 -1.170 1
1 716 . 2 1 1 A 69 69 PRO CA C 69 62.538 63.709 -1.171 1
1 717 . 2 1 1 A 69 69 PRO CB C 69 32.297 32.644 -0.347 1
1 720 . 2 1 1 A 70 70 ALA H H 70 8.307 7.846 0.461 1
1 721 . 2 1 1 A 70 70 ALA HA H 70 4.180 4.409 -0.229 1
1 725 . 2 1 1 A 70 70 ALA C C 70 178.404 178.119 0.285 1
1 726 . 2 1 1 A 70 70 ALA CA C 70 53.532 52.261 1.271 1
1 727 . 2 1 1 A 70 70 ALA CB C 70 18.613 20.224 -1.611 1
1 728 . 2 1 1 A 70 70 ALA N N 70 123.217 123.921 -0.704 1
1 729 . 2 1 1 A 71 71 GLY H H 71 8.667 8.399 0.268 1
1 730 . 2 1 1 A 71 71 GLY HA2 H 71 4.230 4.155 0.075 1
1 731 . 2 1 1 A 71 71 GLY HA3 H 71 3.650 4.164 -0.514 1
1 732 . 2 1 1 A 71 71 GLY C C 71 173.707 173.724 -0.017 1
1 733 . 2 1 1 A 71 71 GLY CA C 71 45.049 45.934 -0.885 1
1 734 . 2 1 1 A 71 71 GLY N N 71 108.062 108.079 -0.017 1
1 735 . 2 1 1 A 72 72 ILE H H 72 7.448 7.778 -0.330 1
1 736 . 2 1 1 A 72 72 ILE HA H 72 4.569 4.382 0.187 1
1 745 . 2 1 1 A 72 72 ILE C C 72 174.450 174.681 -0.231 1
1 746 . 2 1 1 A 72 72 ILE CA C 72 60.281 60.584 -0.303 1
1 747 . 2 1 1 A 72 72 ILE CB C 72 37.826 39.794 -1.968 1
1 751 . 2 1 1 A 72 72 ILE N N 72 118.695 122.315 -3.620 1
1 752 . 2 1 1 A 73 73 GLU H H 73 8.767 8.684 0.083 1
1 755 . 2 1 1 A 73 73 GLU C C 73 175.210 175.670 -0.460 1
1 756 . 2 1 1 A 73 73 GLU CA C 73 54.306 54.494 -0.188 1
1 757 . 2 1 1 A 73 73 GLU CB C 73 32.927 32.393 0.534 1
1 758 . 2 1 1 A 73 73 GLU N N 73 126.361 126.193 0.168 1
1 759 . 2 1 1 A 74 74 MET H H 74 8.618 8.963 -0.345 1
1 760 . 2 1 1 A 74 74 MET HA H 74 4.307 4.647 -0.340 1
1 764 . 2 1 1 A 74 74 MET C C 74 175.176 175.870 -0.694 1
1 765 . 2 1 1 A 74 74 MET CA C 74 53.791 54.803 -1.012 1
1 766 . 2 1 1 A 74 74 MET CB C 74 31.127 31.984 -0.857 1
1 768 . 2 1 1 A 74 74 MET N N 74 124.594 127.036 -2.442 1
1 769 . 2 1 1 A 75 75 VAL H H 75 8.679 8.844 -0.165 1
1 770 . 2 1 1 A 75 75 VAL HA H 75 3.922 3.960 -0.038 1
1 778 . 2 1 1 A 75 75 VAL C C 75 176.056 176.206 -0.150 1
1 779 . 2 1 1 A 75 75 VAL CA C 75 64.246 64.067 0.179 1
1 780 . 2 1 1 A 75 75 VAL CB C 75 32.577 32.457 0.120 1
1 783 . 2 1 1 A 75 75 VAL N N 75 128.728 126.612 2.116 1
1 784 . 2 1 1 A 76 76 SER H H 76 7.610 7.752 -0.142 1
1 785 . 2 1 1 A 76 76 SER HA H 76 4.641 4.875 -0.234 1
1 787 . 2 1 1 A 76 76 SER C C 76 171.007 172.260 -1.253 1
1 788 . 2 1 1 A 76 76 SER CA C 76 57.618 57.698 -0.080 1
1 789 . 2 1 1 A 76 76 SER CB C 76 65.001 67.180 -2.179 1
1 790 . 2 1 1 A 76 76 SER N N 76 112.117 112.719 -0.602 1
1 791 . 2 1 1 A 77 77 ILE H H 77 8.019 8.850 -0.831 1
1 792 . 2 1 1 A 77 77 ILE HA H 77 4.790 4.896 -0.106 1
1 802 . 2 1 1 A 77 77 ILE CA C 77 57.476 57.296 0.180 1
1 803 . 2 1 1 A 77 77 ILE CB C 77 41.550 41.215 0.335 1
1 806 . 2 1 1 A 77 77 ILE N N 77 124.876 122.145 2.731 1
1 807 . 2 1 1 A 78 78 PRO HA H 78 4.662 4.728 -0.066 1
1 814 . 2 1 1 A 78 78 PRO C C 78 176.687 175.726 0.961 1
1 815 . 2 1 1 A 78 78 PRO CA C 78 62.854 62.213 0.641 1
1 816 . 2 1 1 A 78 78 PRO CB C 78 36.960 33.086 3.874 1
1 819 . 2 1 1 A 79 79 ASP H H 79 7.912 8.576 -0.664 1
1 820 . 2 1 1 A 79 79 ASP HA H 79 4.980 5.564 -0.584 1
1 823 . 2 1 1 A 79 79 ASP C C 79 175.812 174.191 1.621 1
1 824 . 2 1 1 A 79 79 ASP CA C 79 54.046 51.985 2.061 1
1 825 . 2 1 1 A 79 79 ASP CB C 79 41.269 45.120 -3.851 1
1 826 . 2 1 1 A 79 79 ASP N N 79 118.235 117.789 0.446 1
1 827 . 2 1 1 A 80 80 VAL H H 80 8.641 8.234 0.407 1
1 828 . 2 1 1 A 80 80 VAL HA H 80 4.623 4.832 -0.209 1
1 836 . 2 1 1 A 80 80 VAL C C 80 172.960 173.265 -0.305 1
1 837 . 2 1 1 A 80 80 VAL CA C 80 60.561 60.021 0.540 1
1 838 . 2 1 1 A 80 80 VAL CB C 80 36.112 35.652 0.460 1
1 841 . 2 1 1 A 80 80 VAL N N 80 116.881 119.459 -2.578 1
1 842 . 2 1 1 A 81 81 THR H H 81 8.304 8.635 -0.331 1
1 843 . 2 1 1 A 81 81 THR HA H 81 5.822 5.430 0.392 1
1 848 . 2 1 1 A 81 81 THR C C 81 173.431 173.329 0.102 1
1 849 . 2 1 1 A 81 81 THR CA C 81 61.014 60.866 0.148 1
1 850 . 2 1 1 A 81 81 THR CB C 81 70.663 71.856 -1.193 1
1 852 . 2 1 1 A 81 81 THR N N 81 123.670 122.314 1.356 1
1 853 . 2 1 1 A 82 82 TYR H H 82 9.293 8.860 0.433 1
1 854 . 2 1 1 A 82 82 TYR HA H 82 5.040 4.752 0.288 1
1 857 . 2 1 1 A 82 82 TYR C C 82 172.210 173.760 -1.550 1
1 858 . 2 1 1 A 82 82 TYR CA C 82 55.640 57.409 -1.769 1
1 859 . 2 1 1 A 82 82 TYR CB C 82 41.461 40.554 0.907 1
1 860 . 2 1 1 A 82 82 TYR N N 82 124.984 125.482 -0.498 1
1 861 . 2 1 1 A 83 83 THR H H 83 8.774 8.629 0.145 1
1 862 . 2 1 1 A 83 83 THR HA H 83 5.150 5.110 0.040 1
1 864 . 2 1 1 A 83 83 THR C C 83 173.942 173.930 0.012 1
1 865 . 2 1 1 A 83 83 THR CA C 83 61.324 61.204 0.120 1
1 866 . 2 1 1 A 83 83 THR CB C 83 71.117 70.674 0.443 1
1 867 . 2 1 1 A 83 83 THR N N 83 115.669 115.795 -0.126 1
1 868 . 2 1 1 A 84 84 LEU H H 84 8.859 9.085 -0.226 1
1 869 . 2 1 1 A 84 84 LEU HA H 84 5.400 5.253 0.147 1
1 879 . 2 1 1 A 84 84 LEU C C 84 176.575 176.346 0.229 1
1 880 . 2 1 1 A 84 84 LEU CA C 84 52.755 53.338 -0.583 1
1 881 . 2 1 1 A 84 84 LEU CB C 84 44.443 45.198 -0.755 1
1 885 . 2 1 1 A 84 84 LEU N N 84 125.146 125.060 0.086 1
1 886 . 2 1 1 A 85 85 LYS H H 85 9.505 8.625 0.880 1
1 887 . 2 1 1 A 85 85 LYS HA H 85 4.793 4.968 -0.175 1
1 893 . 2 1 1 A 85 85 LYS C C 85 173.593 175.334 -1.741 1
1 894 . 2 1 1 A 85 85 LYS CA C 85 54.002 54.448 -0.446 1
1 895 . 2 1 1 A 85 85 LYS CB C 85 36.173 35.345 0.828 1
1 899 . 2 1 1 A 85 85 LYS N N 85 122.212 120.556 1.656 1
1 900 . 2 1 1 A 86 86 ALA H H 86 8.714 8.533 0.181 1
1 901 . 2 1 1 A 86 86 ALA HA H 86 4.489 4.276 0.213 1
1 905 . 2 1 1 A 86 86 ALA C C 86 178.091 177.246 0.845 1
1 906 . 2 1 1 A 86 86 ALA CA C 86 52.548 52.435 0.113 1
1 907 . 2 1 1 A 86 86 ALA CB C 86 18.787 19.194 -0.407 1
1 908 . 2 1 1 A 86 86 ALA N N 86 123.336 125.856 -2.520 1
1 909 . 2 1 1 A 87 87 LYS H H 87 8.242 7.967 0.275 1
1 910 . 2 1 1 A 87 87 LYS HA H 87 3.963 4.120 -0.157 1
1 917 . 2 1 1 A 87 87 LYS C C 87 176.384 177.291 -0.907 1
1 918 . 2 1 1 A 87 87 LYS CA C 87 57.672 57.921 -0.249 1
1 919 . 2 1 1 A 87 87 LYS CB C 87 33.298 32.907 0.391 1
1 922 . 2 1 1 A 87 87 LYS N N 87 122.855 121.279 1.576 1
1 923 . 2 1 1 A 88 88 GLU H H 88 8.485 8.771 -0.286 1
1 924 . 2 1 1 A 88 88 GLU HA H 88 4.305 4.368 -0.063 1
1 926 . 2 1 1 A 88 88 GLU C C 88 175.437 176.217 -0.780 1
1 927 . 2 1 1 A 88 88 GLU CA C 88 55.863 58.231 -2.368 1
1 928 . 2 1 1 A 88 88 GLU CB C 88 30.831 29.776 1.055 1
1 929 . 2 1 1 A 88 88 GLU N N 88 122.851 123.638 -0.787 1
1 930 . 2 1 1 A 89 89 ASP H H 89 8.522 7.964 0.558 1
1 931 . 2 1 1 A 89 89 ASP HA H 89 4.840 4.888 -0.048 1
1 934 . 2 1 1 A 89 89 ASP CA C 89 52.036 53.081 -1.045 1
1 935 . 2 1 1 A 89 89 ASP CB C 89 41.551 40.236 1.315 1
1 936 . 2 1 1 A 89 89 ASP N N 89 123.882 119.743 4.139 1
1 937 . 2 1 1 A 90 90 PRO HA H 90 4.387 4.348 0.039 1
1 942 . 2 1 1 A 90 90 PRO C C 90 177.292 178.165 -0.873 1
1 943 . 2 1 1 A 90 90 PRO CA C 90 63.694 65.670 -1.976 1
1 944 . 2 1 1 A 90 90 PRO CB C 90 32.270 31.587 0.683 1
1 947 . 2 1 1 A 91 91 LEU H H 91 8.340 8.103 0.237 1
1 948 . 2 1 1 A 91 91 LEU HA H 91 4.230 4.287 -0.057 1
1 958 . 2 1 1 A 91 91 LEU C C 91 177.668 177.001 0.667 1
1 959 . 2 1 1 A 91 91 LEU CA C 91 55.381 56.098 -0.717 1
1 960 . 2 1 1 A 91 91 LEU CB C 91 41.733 42.606 -0.873 1
1 964 . 2 1 1 A 91 91 LEU N N 91 120.251 116.744 3.507 1
1 965 . 2 1 1 A 92 92 GLU H H 92 7.977 7.662 0.315 1
1 966 . 2 1 1 A 92 92 GLU C C 92 176.310 175.644 0.666 1
1 967 . 2 1 1 A 92 92 GLU CA C 92 56.745 58.024 -1.279 1
1 968 . 2 1 1 A 92 92 GLU CB C 92 30.187 32.126 -1.939 1
1 969 . 2 1 1 A 92 92 GLU N N 92 120.217 113.274 6.943 1
1 970 . 2 1 1 A 93 93 HIS H H 93 8.242 7.743 0.499 1
1 972 . 2 1 1 A 93 93 HIS C C 93 173.935 173.238 0.697 1
1 973 . 2 1 1 A 93 93 HIS CA C 93 55.918 56.231 -0.313 1
1 974 . 2 1 1 A 93 93 HIS CB C 93 29.960 32.624 -2.664 1
1 975 . 2 1 1 A 93 93 HIS N N 93 119.107 117.135 1.972 1
1 976 . 2 1 1 A 94 94 HIS H H 94 8.164 7.846 0.318 1
1 977 . 2 1 1 A 94 94 HIS CA C 94 57.235 54.804 2.431 1
1 978 . 2 1 1 A 94 94 HIS CB C 94 30.225 30.356 -0.131 1
1 1 . 3 1 1 A 6 6 ASP C C 6 174.750 176.121 -1.371 1
1 2 . 3 1 1 A 6 6 ASP CA C 6 55.079 54.737 0.342 1
1 3 . 3 1 1 A 6 6 ASP CB C 6 38.799 39.870 -1.071 1
1 4 . 3 1 1 A 7 7 LEU H H 7 9.403 7.698 1.705 1
1 14 . 3 1 1 A 7 7 LEU CA C 7 53.136 52.376 0.760 1
1 15 . 3 1 1 A 7 7 LEU CB C 7 41.601 42.520 -0.919 1
1 18 . 3 1 1 A 7 7 LEU N N 7 123.103 120.755 2.348 1
1 19 . 3 1 1 A 8 8 PRO HA H 8 4.880 4.514 0.366 1
1 21 . 3 1 1 A 8 8 PRO C C 8 175.617 176.162 -0.545 1
1 22 . 3 1 1 A 8 8 PRO CA C 8 61.559 63.079 -1.520 1
1 23 . 3 1 1 A 8 8 PRO CB C 8 32.973 32.043 0.930 1
1 24 . 3 1 1 A 9 9 ILE H H 9 8.721 8.586 0.135 1
1 25 . 3 1 1 A 9 9 ILE HA H 9 4.156 4.865 -0.709 1
1 35 . 3 1 1 A 9 9 ILE C C 9 175.726 174.838 0.888 1
1 36 . 3 1 1 A 9 9 ILE CA C 9 60.104 59.441 0.663 1
1 37 . 3 1 1 A 9 9 ILE CB C 9 41.286 42.125 -0.839 1
1 40 . 3 1 1 A 9 9 ILE N N 9 118.531 123.174 -4.643 1
1 41 . 3 1 1 A 10 10 VAL H H 10 8.229 8.759 -0.530 1
1 42 . 3 1 1 A 10 10 VAL HA H 10 4.146 4.729 -0.583 1
1 50 . 3 1 1 A 10 10 VAL C C 10 174.221 174.556 -0.335 1
1 51 . 3 1 1 A 10 10 VAL CA C 10 62.271 61.313 0.958 1
1 52 . 3 1 1 A 10 10 VAL CB C 10 33.507 33.299 0.208 1
1 55 . 3 1 1 A 10 10 VAL N N 10 126.782 126.319 0.463 1
1 56 . 3 1 1 A 11 11 LEU H H 11 8.533 8.807 -0.274 1
1 57 . 3 1 1 A 11 11 LEU HA H 11 4.615 5.171 -0.556 1
1 67 . 3 1 1 A 11 11 LEU C C 11 176.048 175.383 0.665 1
1 68 . 3 1 1 A 11 11 LEU CA C 11 54.172 54.310 -0.138 1
1 69 . 3 1 1 A 11 11 LEU CB C 11 42.865 45.669 -2.804 1
1 72 . 3 1 1 A 11 11 LEU N N 11 128.336 127.826 0.510 1
1 73 . 3 1 1 A 12 12 ARG H H 12 9.076 8.737 0.339 1
1 74 . 3 1 1 A 12 12 ARG HA H 12 4.620 4.649 -0.029 1
1 81 . 3 1 1 A 12 12 ARG C C 12 175.198 177.129 -1.931 1
1 82 . 3 1 1 A 12 12 ARG CA C 12 55.178 56.490 -1.312 1
1 83 . 3 1 1 A 12 12 ARG CB C 12 33.105 32.785 0.320 1
1 86 . 3 1 1 A 12 12 ARG N N 12 126.410 123.390 3.020 1
1 87 . 3 1 1 A 13 13 ASN H H 13 8.914 8.526 0.388 1
1 88 . 3 1 1 A 13 13 ASN HA H 13 4.167 4.733 -0.566 1
1 91 . 3 1 1 A 13 13 ASN C C 13 174.200 175.000 -0.800 1
1 92 . 3 1 1 A 13 13 ASN CA C 13 54.189 54.553 -0.364 1
1 93 . 3 1 1 A 13 13 ASN CB C 13 37.053 38.056 -1.003 1
1 94 . 3 1 1 A 13 13 ASN N N 13 115.665 117.035 -1.370 1
1 95 . 3 1 1 A 14 14 LEU H H 14 8.096 8.389 -0.293 1
1 96 . 3 1 1 A 14 14 LEU HA H 14 4.160 4.530 -0.370 1
1 106 . 3 1 1 A 14 14 LEU CA C 14 53.789 51.122 2.667 1
1 107 . 3 1 1 A 14 14 LEU CB C 14 42.801 42.268 0.533 1
1 111 . 3 1 1 A 14 14 LEU N N 14 121.110 121.702 -0.592 1
1 112 . 3 1 1 A 15 15 PRO HA H 15 4.400 4.538 -0.138 1
1 118 . 3 1 1 A 15 15 PRO C C 15 176.937 177.582 -0.645 1
1 119 . 3 1 1 A 15 15 PRO CA C 15 63.627 63.193 0.434 1
1 120 . 3 1 1 A 15 15 PRO CB C 15 32.770 32.774 -0.004 1
1 123 . 3 1 1 A 16 16 GLU H H 16 8.472 8.671 -0.199 1
1 124 . 3 1 1 A 16 16 GLU HA H 16 4.083 4.048 0.035 1
1 126 . 3 1 1 A 16 16 GLU C C 16 176.530 176.886 -0.356 1
1 127 . 3 1 1 A 16 16 GLU CA C 16 58.767 58.937 -0.170 1
1 128 . 3 1 1 A 16 16 GLU CB C 16 29.951 29.253 0.698 1
1 129 . 3 1 1 A 16 16 GLU N N 16 119.567 122.141 -2.574 1
1 130 . 3 1 1 A 17 17 ASP H H 17 8.654 7.862 0.792 1
1 131 . 3 1 1 A 17 17 ASP HA H 17 4.600 4.708 -0.108 1
1 134 . 3 1 1 A 17 17 ASP C C 17 175.057 174.801 0.256 1
1 135 . 3 1 1 A 17 17 ASP CA C 17 54.212 53.973 0.239 1
1 136 . 3 1 1 A 17 17 ASP CB C 17 40.065 41.810 -1.745 1
1 137 . 3 1 1 A 17 17 ASP N N 17 114.516 118.434 -3.918 1
1 138 . 3 1 1 A 18 18 LEU H H 18 7.814 7.914 -0.100 1
1 139 . 3 1 1 A 18 18 LEU HA H 18 5.260 4.935 0.325 1
1 149 . 3 1 1 A 18 18 LEU C C 18 174.434 175.013 -0.579 1
1 150 . 3 1 1 A 18 18 LEU CA C 18 53.620 53.904 -0.284 1
1 151 . 3 1 1 A 18 18 LEU CB C 18 46.147 46.552 -0.405 1
1 155 . 3 1 1 A 18 18 LEU N N 18 120.789 120.929 -0.140 1
1 156 . 3 1 1 A 19 19 VAL H H 19 8.931 8.518 0.413 1
1 157 . 3 1 1 A 19 19 VAL HA H 19 4.600 4.990 -0.390 1
1 165 . 3 1 1 A 19 19 VAL C C 19 175.054 173.719 1.335 1
1 166 . 3 1 1 A 19 19 VAL CA C 19 59.348 58.994 0.354 1
1 167 . 3 1 1 A 19 19 VAL CB C 19 36.380 36.273 0.107 1
1 170 . 3 1 1 A 19 19 VAL N N 19 111.130 118.609 -7.479 1
1 171 . 3 1 1 A 20 20 LEU H H 20 8.339 8.728 -0.389 1
1 172 . 3 1 1 A 20 20 LEU HA H 20 4.704 4.790 -0.086 1
1 182 . 3 1 1 A 20 20 LEU C C 20 178.790 177.109 1.681 1
1 183 . 3 1 1 A 20 20 LEU CA C 20 55.095 53.688 1.407 1
1 184 . 3 1 1 A 20 20 LEU CB C 20 42.647 44.258 -1.611 1
1 188 . 3 1 1 A 20 20 LEU N N 20 122.936 124.536 -1.600 1
1 189 . 3 1 1 A 21 21 GLU H H 21 8.851 8.738 0.113 1
1 190 . 3 1 1 A 21 21 GLU HA H 21 3.880 4.005 -0.125 1
1 194 . 3 1 1 A 21 21 GLU C C 21 175.661 176.350 -0.689 1
1 195 . 3 1 1 A 21 21 GLU CA C 21 59.434 59.316 0.118 1
1 196 . 3 1 1 A 21 21 GLU CB C 21 31.125 30.132 0.993 1
1 198 . 3 1 1 A 21 21 GLU N N 21 124.719 125.411 -0.692 1
1 199 . 3 1 1 A 22 22 LYS H H 22 7.591 7.569 0.022 1
1 200 . 3 1 1 A 22 22 LYS HA H 22 4.760 4.398 0.362 1
1 203 . 3 1 1 A 22 22 LYS CA C 22 53.277 57.344 -4.067 1
1 204 . 3 1 1 A 22 22 LYS CB C 22 34.301 35.174 -0.873 1
1 205 . 3 1 1 A 22 22 LYS N N 22 115.055 117.181 -2.126 1
1 206 . 3 1 1 A 23 23 PRO HA H 23 4.343 4.459 -0.116 1
1 213 . 3 1 1 A 23 23 PRO C C 23 176.657 176.476 0.181 1
1 214 . 3 1 1 A 23 23 PRO CA C 23 62.800 62.740 0.060 1
1 215 . 3 1 1 A 23 23 PRO CB C 23 32.360 32.525 -0.165 1
1 218 . 3 1 1 A 24 24 LEU H H 24 8.507 8.532 -0.025 1
1 219 . 3 1 1 A 24 24 LEU HA H 24 4.460 4.443 0.017 1
1 225 . 3 1 1 A 24 24 LEU CA C 24 53.311 55.477 -2.166 1
1 226 . 3 1 1 A 24 24 LEU CB C 24 40.716 44.539 -3.823 1
1 228 . 3 1 1 A 24 24 LEU N N 24 121.875 120.485 1.390 1
1 229 . 3 1 1 A 25 25 PRO HA H 25 4.560 4.380 0.180 1
1 232 . 3 1 1 A 25 25 PRO C C 25 176.019 178.081 -2.062 1
1 233 . 3 1 1 A 25 25 PRO CA C 25 62.448 64.919 -2.471 1
1 234 . 3 1 1 A 25 25 PRO CB C 25 32.035 31.490 0.545 1
1 235 . 3 1 1 A 26 26 GLU H H 26 7.828 8.408 -0.580 1
1 236 . 3 1 1 A 26 26 GLU HA H 26 4.790 4.360 0.430 1
1 239 . 3 1 1 A 26 26 GLU C C 26 178.159 175.289 2.870 1
1 240 . 3 1 1 A 26 26 GLU CA C 26 55.700 55.073 0.627 1
1 241 . 3 1 1 A 26 26 GLU CB C 26 30.291 27.666 2.625 1
1 242 . 3 1 1 A 26 26 GLU N N 26 117.053 117.560 -0.507 1
1 243 . 3 1 1 A 27 27 VAL H H 27 8.863 9.935 -1.072 1
1 244 . 3 1 1 A 27 27 VAL HA H 27 4.830 4.560 0.270 1
1 252 . 3 1 1 A 27 27 VAL C C 27 174.041 175.912 -1.871 1
1 253 . 3 1 1 A 27 27 VAL CA C 27 59.788 59.998 -0.210 1
1 254 . 3 1 1 A 27 27 VAL CB C 27 35.937 33.706 2.231 1
1 257 . 3 1 1 A 27 27 VAL N N 27 114.437 117.097 -2.660 1
1 258 . 3 1 1 A 28 28 SER H H 28 7.870 8.506 -0.636 1
1 259 . 3 1 1 A 28 28 SER HA H 28 5.360 5.229 0.131 1
1 261 . 3 1 1 A 28 28 SER CA C 28 55.629 56.938 -1.309 1
1 262 . 3 1 1 A 28 28 SER CB C 28 65.215 65.586 -0.371 1
1 263 . 3 1 1 A 28 28 SER N N 28 114.263 115.367 -1.104 1
1 264 . 3 1 1 A 29 29 VAL HA H 29 4.960 4.630 0.330 1
1 272 . 3 1 1 A 29 29 VAL C C 29 174.289 173.671 0.618 1
1 273 . 3 1 1 A 29 29 VAL CA C 29 58.515 60.559 -2.044 1
1 274 . 3 1 1 A 29 29 VAL CB C 29 34.903 34.923 -0.020 1
1 277 . 3 1 1 A 30 30 THR H H 30 8.579 8.684 -0.105 1
1 278 . 3 1 1 A 30 30 THR HA H 30 5.240 4.726 0.514 1
1 283 . 3 1 1 A 30 30 THR C C 30 173.452 173.431 0.021 1
1 284 . 3 1 1 A 30 30 THR CA C 30 61.702 60.451 1.251 1
1 285 . 3 1 1 A 30 30 THR CB C 30 70.283 68.993 1.290 1
1 287 . 3 1 1 A 30 30 THR N N 30 118.278 122.778 -4.500 1
1 288 . 3 1 1 A 31 31 ILE H H 31 8.919 7.813 1.106 1
1 289 . 3 1 1 A 31 31 ILE HA H 31 5.138 4.811 0.327 1
1 299 . 3 1 1 A 31 31 ILE C C 31 173.712 174.895 -1.183 1
1 300 . 3 1 1 A 31 31 ILE CA C 31 59.199 60.245 -1.046 1
1 301 . 3 1 1 A 31 31 ILE CB C 31 41.425 42.334 -0.909 1
1 305 . 3 1 1 A 31 31 ILE N N 31 119.853 123.452 -3.599 1
1 306 . 3 1 1 A 32 32 ARG H H 32 8.715 8.736 -0.021 1
1 307 . 3 1 1 A 32 32 ARG C C 32 173.382 175.924 -2.542 1
1 308 . 3 1 1 A 32 32 ARG CA C 32 55.308 54.245 1.063 1
1 309 . 3 1 1 A 32 32 ARG CB C 32 34.457 32.877 1.580 1
1 310 . 3 1 1 A 32 32 ARG N N 32 118.433 125.991 -7.558 1
1 311 . 3 1 1 A 33 33 ALA H H 33 7.873 8.721 -0.848 1
1 312 . 3 1 1 A 33 33 ALA HA H 33 4.510 4.359 0.151 1
1 316 . 3 1 1 A 33 33 ALA C C 33 175.205 176.671 -1.466 1
1 317 . 3 1 1 A 33 33 ALA CA C 33 51.365 50.591 0.774 1
1 318 . 3 1 1 A 33 33 ALA CB C 33 23.433 20.308 3.125 1
1 319 . 3 1 1 A 33 33 ALA N N 33 123.018 127.608 -4.590 1
1 320 . 3 1 1 A 34 34 TYR H H 34 8.171 8.606 -0.435 1
1 321 . 3 1 1 A 34 34 TYR HA H 34 4.860 4.577 0.283 1
1 324 . 3 1 1 A 34 34 TYR CA C 34 56.646 57.430 -0.784 1
1 325 . 3 1 1 A 34 34 TYR CB C 34 36.668 38.685 -2.017 1
1 326 . 3 1 1 A 34 34 TYR N N 34 118.901 117.554 1.347 1
1 327 . 3 1 1 A 35 35 PRO HA H 35 4.100 4.402 -0.302 1
1 330 . 3 1 1 A 35 35 PRO C C 35 177.893 178.739 -0.846 1
1 331 . 3 1 1 A 35 35 PRO CA C 35 66.575 64.929 1.646 1
1 332 . 3 1 1 A 35 35 PRO CB C 35 32.036 32.039 -0.003 1
1 333 . 3 1 1 A 36 36 GLU H H 36 9.144 8.490 0.654 1
1 334 . 3 1 1 A 36 36 GLU HA H 36 4.090 4.127 -0.037 1
1 337 . 3 1 1 A 36 36 GLU C C 36 178.276 178.956 -0.680 1
1 338 . 3 1 1 A 36 36 GLU CA C 36 59.597 59.475 0.122 1
1 339 . 3 1 1 A 36 36 GLU CB C 36 28.790 29.358 -0.568 1
1 340 . 3 1 1 A 36 36 GLU N N 36 115.616 118.164 -2.548 1
1 341 . 3 1 1 A 37 37 ILE H H 37 7.227 7.994 -0.767 1
1 342 . 3 1 1 A 37 37 ILE HA H 37 4.020 3.894 0.126 1
1 352 . 3 1 1 A 37 37 ILE C C 37 178.767 178.544 0.223 1
1 353 . 3 1 1 A 37 37 ILE CA C 37 62.612 63.842 -1.230 1
1 354 . 3 1 1 A 37 37 ILE CB C 37 37.690 37.650 0.040 1
1 358 . 3 1 1 A 37 37 ILE N N 37 117.970 120.465 -2.495 1
1 359 . 3 1 1 A 38 38 LEU H H 38 7.737 7.603 0.134 1
1 360 . 3 1 1 A 38 38 LEU HA H 38 3.860 4.221 -0.361 1
1 370 . 3 1 1 A 38 38 LEU C C 38 179.021 179.464 -0.443 1
1 371 . 3 1 1 A 38 38 LEU CA C 38 57.346 56.871 0.475 1
1 372 . 3 1 1 A 38 38 LEU CB C 38 41.634 41.996 -0.362 1
1 376 . 3 1 1 A 38 38 LEU N N 38 119.122 121.542 -2.420 1
1 377 . 3 1 1 A 39 39 ASN H H 39 8.347 8.569 -0.222 1
1 378 . 3 1 1 A 39 39 ASN HA H 39 4.440 4.555 -0.115 1
1 380 . 3 1 1 A 39 39 ASN C C 39 175.797 175.882 -0.085 1
1 381 . 3 1 1 A 39 39 ASN CA C 39 55.237 56.064 -0.827 1
1 382 . 3 1 1 A 39 39 ASN CB C 39 38.282 38.046 0.236 1
1 383 . 3 1 1 A 39 39 ASN N N 39 115.266 118.047 -2.781 1
1 384 . 3 1 1 A 40 40 ASN H H 40 7.279 7.977 -0.698 1
1 385 . 3 1 1 A 40 40 ASN HA H 40 4.842 4.919 -0.077 1
1 388 . 3 1 1 A 40 40 ASN C C 40 174.085 175.390 -1.305 1
1 389 . 3 1 1 A 40 40 ASN CA C 40 52.778 52.307 0.471 1
1 390 . 3 1 1 A 40 40 ASN CB C 40 39.998 38.768 1.230 1
1 391 . 3 1 1 A 40 40 ASN N N 40 115.166 116.417 -1.251 1
1 392 . 3 1 1 A 41 41 LEU H H 41 7.151 7.217 -0.066 1
1 393 . 3 1 1 A 41 41 LEU HA H 41 4.420 4.642 -0.222 1
1 403 . 3 1 1 A 41 41 LEU C C 41 176.343 175.440 0.903 1
1 404 . 3 1 1 A 41 41 LEU CA C 41 55.639 53.503 2.136 1
1 405 . 3 1 1 A 41 41 LEU CB C 41 43.186 43.906 -0.720 1
1 409 . 3 1 1 A 41 41 LEU N N 41 122.633 121.135 1.498 1
1 410 . 3 1 1 A 42 42 THR H H 42 8.040 8.439 -0.399 1
1 411 . 3 1 1 A 42 42 THR HA H 42 4.770 4.879 -0.109 1
1 416 . 3 1 1 A 42 42 THR C C 42 175.548 175.228 0.320 1
1 417 . 3 1 1 A 42 42 THR CA C 42 59.354 59.368 -0.014 1
1 418 . 3 1 1 A 42 42 THR CB C 42 71.538 71.002 0.536 1
1 420 . 3 1 1 A 42 42 THR N N 42 117.269 116.278 0.991 1
1 421 . 3 1 1 A 43 43 LYS H H 43 8.841 8.885 -0.044 1
1 422 . 3 1 1 A 43 43 LYS HA H 43 3.780 4.057 -0.277 1
1 428 . 3 1 1 A 43 43 LYS C C 43 177.649 178.273 -0.624 1
1 429 . 3 1 1 A 43 43 LYS CA C 43 59.948 59.140 0.808 1
1 430 . 3 1 1 A 43 43 LYS CB C 43 32.318 32.380 -0.062 1
1 432 . 3 1 1 A 43 43 LYS N N 43 120.046 123.510 -3.464 1
1 433 . 3 1 1 A 44 44 GLU H H 44 8.565 8.131 0.434 1
1 434 . 3 1 1 A 44 44 GLU HA H 44 4.200 4.035 0.165 1
1 438 . 3 1 1 A 44 44 GLU C C 44 177.413 178.997 -1.584 1
1 439 . 3 1 1 A 44 44 GLU CA C 44 58.761 58.652 0.109 1
1 440 . 3 1 1 A 44 44 GLU CB C 44 28.613 28.098 0.515 1
1 441 . 3 1 1 A 44 44 GLU N N 44 117.096 120.128 -3.032 1
1 442 . 3 1 1 A 45 45 GLN H H 45 7.667 7.939 -0.272 1
1 443 . 3 1 1 A 45 45 GLN HA H 45 4.230 4.085 0.145 1
1 446 . 3 1 1 A 45 45 GLN C C 45 174.680 176.365 -1.685 1
1 447 . 3 1 1 A 45 45 GLN CA C 45 56.637 58.513 -1.876 1
1 448 . 3 1 1 A 45 45 GLN CB C 45 30.099 28.909 1.190 1
1 449 . 3 1 1 A 45 45 GLN N N 45 116.509 119.890 -3.381 1
1 450 . 3 1 1 A 46 46 ILE H H 46 7.595 7.500 0.095 1
1 451 . 3 1 1 A 46 46 ILE HA H 46 4.385 3.932 0.453 1
1 461 . 3 1 1 A 46 46 ILE C C 46 174.202 175.444 -1.242 1
1 462 . 3 1 1 A 46 46 ILE CA C 46 60.775 62.461 -1.686 1
1 463 . 3 1 1 A 46 46 ILE CB C 46 38.470 37.745 0.725 1
1 467 . 3 1 1 A 46 46 ILE N N 46 120.018 120.739 -0.721 1
1 468 . 3 1 1 A 47 47 SER H H 47 7.948 8.477 -0.529 1
1 469 . 3 1 1 A 47 47 SER HA H 47 4.915 5.099 -0.184 1
1 472 . 3 1 1 A 47 47 SER C C 47 172.724 173.644 -0.920 1
1 473 . 3 1 1 A 47 47 SER CA C 47 57.092 57.945 -0.853 1
1 474 . 3 1 1 A 47 47 SER CB C 47 64.837 63.897 0.940 1
1 475 . 3 1 1 A 47 47 SER N N 47 120.935 125.521 -4.586 1
1 476 . 3 1 1 A 48 48 LEU H H 48 8.665 9.115 -0.450 1
1 477 . 3 1 1 A 48 48 LEU HA H 48 5.707 5.271 0.436 1
1 487 . 3 1 1 A 48 48 LEU C C 48 177.942 175.419 2.523 1
1 488 . 3 1 1 A 48 48 LEU CA C 48 53.244 53.995 -0.751 1
1 489 . 3 1 1 A 48 48 LEU CB C 48 44.148 46.394 -2.246 1
1 493 . 3 1 1 A 48 48 LEU N N 48 124.499 126.558 -2.059 1
1 494 . 3 1 1 A 49 49 TRP H H 49 9.205 8.751 0.454 1
1 495 . 3 1 1 A 49 49 TRP HA H 49 5.819 5.111 0.708 1
1 498 . 3 1 1 A 49 49 TRP C C 49 172.596 174.263 -1.667 1
1 499 . 3 1 1 A 49 49 TRP CA C 49 57.390 57.267 0.123 1
1 500 . 3 1 1 A 49 49 TRP CB C 49 32.341 32.957 -0.616 1
1 501 . 3 1 1 A 49 49 TRP N N 49 122.571 125.096 -2.525 1
1 503 . 3 1 1 A 50 50 ILE H H 50 8.559 8.857 -0.298 1
1 504 . 3 1 1 A 50 50 ILE HA H 50 4.570 4.339 0.231 1
1 514 . 3 1 1 A 50 50 ILE C C 50 174.443 174.215 0.228 1
1 515 . 3 1 1 A 50 50 ILE CA C 50 59.706 59.817 -0.111 1
1 516 . 3 1 1 A 50 50 ILE CB C 50 42.605 40.159 2.446 1
1 520 . 3 1 1 A 50 50 ILE N N 50 113.357 127.324 -13.967 1
1 521 . 3 1 1 A 51 51 ASP H H 51 8.497 8.398 0.099 1
1 522 . 3 1 1 A 51 51 ASP HA H 51 5.226 4.665 0.561 1
1 525 . 3 1 1 A 51 51 ASP C C 51 177.162 176.190 0.972 1
1 526 . 3 1 1 A 51 51 ASP CA C 51 52.584 52.496 0.088 1
1 527 . 3 1 1 A 51 51 ASP CB C 51 43.343 40.915 2.428 1
1 528 . 3 1 1 A 51 51 ASP N N 51 122.696 126.571 -3.875 1
1 529 . 3 1 1 A 52 52 ALA H H 52 9.021 8.667 0.354 1
1 530 . 3 1 1 A 52 52 ALA HA H 52 4.410 4.682 -0.272 1
1 534 . 3 1 1 A 52 52 ALA C C 52 174.841 177.087 -2.246 1
1 535 . 3 1 1 A 52 52 ALA CA C 52 51.807 51.177 0.630 1
1 536 . 3 1 1 A 52 52 ALA CB C 52 18.117 19.085 -0.968 1
1 537 . 3 1 1 A 52 52 ALA N N 52 131.046 130.444 0.602 1
1 538 . 3 1 1 A 53 53 THR H H 53 8.250 7.419 0.831 1
1 539 . 3 1 1 A 53 53 THR HA H 53 3.880 4.140 -0.260 1
1 544 . 3 1 1 A 53 53 THR C C 53 177.316 175.886 1.430 1
1 545 . 3 1 1 A 53 53 THR CA C 53 66.288 63.754 2.534 1
1 546 . 3 1 1 A 53 53 THR CB C 53 68.896 68.653 0.243 1
1 548 . 3 1 1 A 53 53 THR N N 53 116.426 114.136 2.290 1
1 549 . 3 1 1 A 54 54 GLY H H 54 9.304 8.915 0.389 1
1 550 . 3 1 1 A 54 54 GLY HA2 H 54 3.950 3.840 0.110 1
1 551 . 3 1 1 A 54 54 GLY HA3 H 54 3.770 3.844 -0.074 1
1 552 . 3 1 1 A 54 54 GLY C C 54 174.142 174.472 -0.330 1
1 553 . 3 1 1 A 54 54 GLY CA C 54 45.832 46.396 -0.564 1
1 554 . 3 1 1 A 54 54 GLY N N 54 115.462 115.683 -0.221 1
1 555 . 3 1 1 A 55 55 LYS H H 55 7.588 7.676 -0.088 1
1 556 . 3 1 1 A 55 55 LYS HA H 55 4.067 4.526 -0.459 1
1 565 . 3 1 1 A 55 55 LYS C C 55 174.805 175.729 -0.924 1
1 566 . 3 1 1 A 55 55 LYS CA C 55 54.856 55.054 -0.198 1
1 567 . 3 1 1 A 55 55 LYS CB C 55 32.971 33.739 -0.768 1
1 571 . 3 1 1 A 55 55 LYS N N 55 120.231 120.764 -0.533 1
1 572 . 3 1 1 A 56 56 ALA H H 56 7.619 8.589 -0.970 1
1 573 . 3 1 1 A 56 56 ALA HA H 56 4.620 4.604 0.016 1
1 577 . 3 1 1 A 56 56 ALA C C 56 177.034 177.800 -0.766 1
1 578 . 3 1 1 A 56 56 ALA CA C 56 49.962 51.358 -1.396 1
1 579 . 3 1 1 A 56 56 ALA CB C 56 21.814 20.534 1.280 1
1 580 . 3 1 1 A 56 56 ALA N N 56 121.951 129.821 -7.870 1
1 581 . 3 1 1 A 57 57 VAL H H 57 7.896 8.482 -0.586 1
1 582 . 3 1 1 A 57 57 VAL HA H 57 3.520 3.676 -0.156 1
1 590 . 3 1 1 A 57 57 VAL C C 57 175.691 176.436 -0.745 1
1 591 . 3 1 1 A 57 57 VAL CA C 57 64.652 64.882 -0.230 1
1 592 . 3 1 1 A 57 57 VAL CB C 57 32.644 31.593 1.051 1
1 595 . 3 1 1 A 57 57 VAL N N 57 116.475 119.457 -2.982 1
1 596 . 3 1 1 A 58 58 GLY H H 58 8.429 8.675 -0.246 1
1 597 . 3 1 1 A 58 58 GLY HA2 H 58 4.442 4.126 0.316 1
1 598 . 3 1 1 A 58 58 GLY HA3 H 58 3.739 4.170 -0.431 1
1 599 . 3 1 1 A 58 58 GLY C C 58 170.877 171.982 -1.105 1
1 600 . 3 1 1 A 58 58 GLY CA C 58 43.207 44.353 -1.146 1
1 601 . 3 1 1 A 58 58 GLY N N 58 113.209 111.751 1.458 1
1 602 . 3 1 1 A 59 59 GLU H H 59 8.017 8.425 -0.408 1
1 603 . 3 1 1 A 59 59 GLU HA H 59 4.690 5.494 -0.804 1
1 606 . 3 1 1 A 59 59 GLU C C 59 175.309 174.254 1.055 1
1 607 . 3 1 1 A 59 59 GLU CA C 59 55.370 54.469 0.901 1
1 608 . 3 1 1 A 59 59 GLU CB C 59 32.114 32.809 -0.695 1
1 610 . 3 1 1 A 59 59 GLU N N 59 119.976 118.959 1.017 1
1 611 . 3 1 1 A 60 60 HIS H H 60 9.001 9.026 -0.025 1
1 612 . 3 1 1 A 60 60 HIS HA H 60 4.637 4.928 -0.291 1
1 615 . 3 1 1 A 60 60 HIS C C 60 173.585 173.994 -0.409 1
1 616 . 3 1 1 A 60 60 HIS CA C 60 55.364 54.837 0.527 1
1 617 . 3 1 1 A 60 60 HIS CB C 60 33.699 33.348 0.351 1
1 618 . 3 1 1 A 60 60 HIS N N 60 125.266 120.353 4.913 1
1 619 . 3 1 1 A 61 61 THR H H 61 8.712 8.685 0.027 1
1 620 . 3 1 1 A 61 61 THR HA H 61 5.333 4.721 0.612 1
1 625 . 3 1 1 A 61 61 THR C C 61 175.155 173.895 1.260 1
1 626 . 3 1 1 A 61 61 THR CA C 61 62.600 62.583 0.017 1
1 627 . 3 1 1 A 61 61 THR CB C 61 69.914 69.773 0.141 1
1 628 . 3 1 1 A 61 61 THR N N 61 120.973 117.932 3.041 1
1 629 . 3 1 1 A 62 62 VAL H H 62 9.313 8.676 0.637 1
1 630 . 3 1 1 A 62 62 VAL HA H 62 4.910 4.855 0.055 1
1 638 . 3 1 1 A 62 62 VAL C C 62 173.545 174.663 -1.118 1
1 639 . 3 1 1 A 62 62 VAL CA C 62 58.734 59.075 -0.341 1
1 640 . 3 1 1 A 62 62 VAL CB C 62 36.638 35.397 1.241 1
1 643 . 3 1 1 A 62 62 VAL N N 62 120.591 120.970 -0.379 1
1 644 . 3 1 1 A 63 63 LYS H H 63 7.815 8.565 -0.750 1
1 645 . 3 1 1 A 63 63 LYS HA H 63 4.552 4.397 0.155 1
1 650 . 3 1 1 A 63 63 LYS C C 63 175.805 176.220 -0.415 1
1 651 . 3 1 1 A 63 63 LYS CA C 63 54.680 56.031 -1.351 1
1 652 . 3 1 1 A 63 63 LYS CB C 63 32.896 33.341 -0.445 1
1 656 . 3 1 1 A 63 63 LYS N N 63 118.768 123.444 -4.676 1
1 657 . 3 1 1 A 64 64 ILE H H 64 8.349 8.577 -0.228 1
1 658 . 3 1 1 A 64 64 ILE HA H 64 3.870 4.503 -0.633 1
1 668 . 3 1 1 A 64 64 ILE C C 64 175.894 174.747 1.147 1
1 669 . 3 1 1 A 64 64 ILE CA C 64 61.324 60.599 0.725 1
1 670 . 3 1 1 A 64 64 ILE CB C 64 39.638 38.510 1.128 1
1 674 . 3 1 1 A 64 64 ILE N N 64 121.703 121.645 0.058 1
1 675 . 3 1 1 A 65 65 TYR H H 65 8.491 8.470 0.021 1
1 676 . 3 1 1 A 65 65 TYR CA C 65 57.180 57.385 -0.205 1
1 677 . 3 1 1 A 65 65 TYR CB C 65 37.490 40.324 -2.834 1
1 678 . 3 1 1 A 65 65 TYR N N 65 125.077 122.049 3.028 1
1 680 . 3 1 1 A 66 66 TRP C C 66 175.586 174.315 1.271 1
1 681 . 3 1 1 A 66 66 TRP CB C 66 33.607 32.333 1.274 1
1 683 . 3 1 1 A 67 67 GLN H H 67 9.048 8.435 0.613 1
1 684 . 3 1 1 A 67 67 GLN HA H 67 4.751 4.847 -0.096 1
1 687 . 3 1 1 A 67 67 GLN C C 67 174.057 173.806 0.251 1
1 688 . 3 1 1 A 67 67 GLN CA C 67 56.338 56.080 0.258 1
1 689 . 3 1 1 A 67 67 GLN CB C 67 32.401 30.121 2.280 1
1 690 . 3 1 1 A 67 67 GLN N N 67 119.746 126.950 -7.204 1
1 691 . 3 1 1 A 68 68 LEU H H 68 8.898 8.584 0.314 1
1 692 . 3 1 1 A 68 68 LEU HA H 68 5.160 4.997 0.163 1
1 702 . 3 1 1 A 68 68 LEU CA C 68 51.902 51.238 0.664 1
1 703 . 3 1 1 A 68 68 LEU CB C 68 45.191 44.532 0.659 1
1 707 . 3 1 1 A 68 68 LEU N N 68 126.170 123.462 2.708 1
1 708 . 3 1 1 A 69 69 PRO HA H 69 4.511 4.600 -0.089 1
1 715 . 3 1 1 A 69 69 PRO C C 69 175.054 176.185 -1.131 1
1 716 . 3 1 1 A 69 69 PRO CA C 69 62.538 63.751 -1.213 1
1 717 . 3 1 1 A 69 69 PRO CB C 69 32.297 32.870 -0.573 1
1 720 . 3 1 1 A 70 70 ALA H H 70 8.307 7.932 0.375 1
1 721 . 3 1 1 A 70 70 ALA HA H 70 4.180 4.429 -0.249 1
1 725 . 3 1 1 A 70 70 ALA C C 70 178.404 178.335 0.069 1
1 726 . 3 1 1 A 70 70 ALA CA C 70 53.532 52.498 1.034 1
1 727 . 3 1 1 A 70 70 ALA CB C 70 18.613 20.355 -1.742 1
1 728 . 3 1 1 A 70 70 ALA N N 70 123.217 124.782 -1.565 1
1 729 . 3 1 1 A 71 71 GLY H H 71 8.667 8.683 -0.016 1
1 730 . 3 1 1 A 71 71 GLY HA2 H 71 4.230 4.234 -0.004 1
1 731 . 3 1 1 A 71 71 GLY HA3 H 71 3.650 4.256 -0.606 1
1 732 . 3 1 1 A 71 71 GLY C C 71 173.707 174.065 -0.358 1
1 733 . 3 1 1 A 71 71 GLY CA C 71 45.049 45.833 -0.784 1
1 734 . 3 1 1 A 71 71 GLY N N 71 108.062 109.442 -1.380 1
1 735 . 3 1 1 A 72 72 ILE H H 72 7.448 7.822 -0.374 1
1 736 . 3 1 1 A 72 72 ILE HA H 72 4.569 4.275 0.294 1
1 745 . 3 1 1 A 72 72 ILE C C 72 174.450 174.840 -0.390 1
1 746 . 3 1 1 A 72 72 ILE CA C 72 60.281 60.930 -0.649 1
1 747 . 3 1 1 A 72 72 ILE CB C 72 37.826 39.163 -1.337 1
1 751 . 3 1 1 A 72 72 ILE N N 72 118.695 122.792 -4.097 1
1 752 . 3 1 1 A 73 73 GLU H H 73 8.767 8.576 0.191 1
1 755 . 3 1 1 A 73 73 GLU C C 73 175.210 175.786 -0.576 1
1 756 . 3 1 1 A 73 73 GLU CA C 73 54.306 54.973 -0.667 1
1 757 . 3 1 1 A 73 73 GLU CB C 73 32.927 32.047 0.880 1
1 758 . 3 1 1 A 73 73 GLU N N 73 126.361 121.920 4.441 1
1 759 . 3 1 1 A 74 74 MET H H 74 8.618 8.891 -0.273 1
1 760 . 3 1 1 A 74 74 MET HA H 74 4.307 4.491 -0.184 1
1 764 . 3 1 1 A 74 74 MET C C 74 175.176 175.600 -0.424 1
1 765 . 3 1 1 A 74 74 MET CA C 74 53.791 53.718 0.073 1
1 766 . 3 1 1 A 74 74 MET CB C 74 31.127 31.125 0.002 1
1 768 . 3 1 1 A 74 74 MET N N 74 124.594 123.296 1.298 1
1 769 . 3 1 1 A 75 75 VAL H H 75 8.679 8.833 -0.154 1
1 770 . 3 1 1 A 75 75 VAL HA H 75 3.922 3.895 0.027 1
1 778 . 3 1 1 A 75 75 VAL C C 75 176.056 175.932 0.124 1
1 779 . 3 1 1 A 75 75 VAL CA C 75 64.246 64.249 -0.003 1
1 780 . 3 1 1 A 75 75 VAL CB C 75 32.577 32.455 0.122 1
1 783 . 3 1 1 A 75 75 VAL N N 75 128.728 126.909 1.819 1
1 784 . 3 1 1 A 76 76 SER H H 76 7.610 7.660 -0.050 1
1 785 . 3 1 1 A 76 76 SER HA H 76 4.641 4.736 -0.095 1
1 787 . 3 1 1 A 76 76 SER C C 76 171.007 172.114 -1.107 1
1 788 . 3 1 1 A 76 76 SER CA C 76 57.618 57.247 0.371 1
1 789 . 3 1 1 A 76 76 SER CB C 76 65.001 65.097 -0.096 1
1 790 . 3 1 1 A 76 76 SER N N 76 112.117 111.370 0.747 1
1 791 . 3 1 1 A 77 77 ILE H H 77 8.019 8.793 -0.774 1
1 792 . 3 1 1 A 77 77 ILE HA H 77 4.790 4.742 0.048 1
1 802 . 3 1 1 A 77 77 ILE CA C 77 57.476 57.864 -0.388 1
1 803 . 3 1 1 A 77 77 ILE CB C 77 41.550 41.011 0.539 1
1 806 . 3 1 1 A 77 77 ILE N N 77 124.876 123.398 1.478 1
1 807 . 3 1 1 A 78 78 PRO HA H 78 4.662 4.693 -0.031 1
1 814 . 3 1 1 A 78 78 PRO C C 78 176.687 175.012 1.675 1
1 815 . 3 1 1 A 78 78 PRO CA C 78 62.854 62.254 0.600 1
1 816 . 3 1 1 A 78 78 PRO CB C 78 36.960 33.156 3.804 1
1 819 . 3 1 1 A 79 79 ASP H H 79 7.912 8.385 -0.473 1
1 820 . 3 1 1 A 79 79 ASP HA H 79 4.980 5.286 -0.306 1
1 823 . 3 1 1 A 79 79 ASP C C 79 175.812 174.632 1.180 1
1 824 . 3 1 1 A 79 79 ASP CA C 79 54.046 52.566 1.480 1
1 825 . 3 1 1 A 79 79 ASP CB C 79 41.269 45.196 -3.927 1
1 826 . 3 1 1 A 79 79 ASP N N 79 118.235 119.172 -0.937 1
1 827 . 3 1 1 A 80 80 VAL H H 80 8.641 8.771 -0.130 1
1 828 . 3 1 1 A 80 80 VAL HA H 80 4.623 4.847 -0.224 1
1 836 . 3 1 1 A 80 80 VAL C C 80 172.960 173.345 -0.385 1
1 837 . 3 1 1 A 80 80 VAL CA C 80 60.561 59.936 0.625 1
1 838 . 3 1 1 A 80 80 VAL CB C 80 36.112 35.724 0.388 1
1 841 . 3 1 1 A 80 80 VAL N N 80 116.881 120.170 -3.289 1
1 842 . 3 1 1 A 81 81 THR H H 81 8.304 8.302 0.002 1
1 843 . 3 1 1 A 81 81 THR HA H 81 5.822 5.286 0.536 1
1 848 . 3 1 1 A 81 81 THR C C 81 173.431 172.524 0.907 1
1 849 . 3 1 1 A 81 81 THR CA C 81 61.014 60.885 0.129 1
1 850 . 3 1 1 A 81 81 THR CB C 81 70.663 71.719 -1.056 1
1 852 . 3 1 1 A 81 81 THR N N 81 123.670 122.233 1.437 1
1 853 . 3 1 1 A 82 82 TYR H H 82 9.293 8.915 0.378 1
1 854 . 3 1 1 A 82 82 TYR HA H 82 5.040 5.097 -0.057 1
1 857 . 3 1 1 A 82 82 TYR C C 82 172.210 174.319 -2.109 1
1 858 . 3 1 1 A 82 82 TYR CA C 82 55.640 56.418 -0.778 1
1 859 . 3 1 1 A 82 82 TYR CB C 82 41.461 43.449 -1.988 1
1 860 . 3 1 1 A 82 82 TYR N N 82 124.984 123.089 1.895 1
1 861 . 3 1 1 A 83 83 THR H H 83 8.774 8.586 0.188 1
1 862 . 3 1 1 A 83 83 THR HA H 83 5.150 5.700 -0.550 1
1 864 . 3 1 1 A 83 83 THR C C 83 173.942 173.644 0.298 1
1 865 . 3 1 1 A 83 83 THR CA C 83 61.324 61.035 0.289 1
1 866 . 3 1 1 A 83 83 THR CB C 83 71.117 71.659 -0.542 1
1 867 . 3 1 1 A 83 83 THR N N 83 115.669 116.089 -0.420 1
1 868 . 3 1 1 A 84 84 LEU H H 84 8.859 8.697 0.162 1
1 869 . 3 1 1 A 84 84 LEU HA H 84 5.400 5.242 0.158 1
1 879 . 3 1 1 A 84 84 LEU C C 84 176.575 176.055 0.520 1
1 880 . 3 1 1 A 84 84 LEU CA C 84 52.755 53.364 -0.609 1
1 881 . 3 1 1 A 84 84 LEU CB C 84 44.443 45.387 -0.944 1
1 885 . 3 1 1 A 84 84 LEU N N 84 125.146 125.007 0.139 1
1 886 . 3 1 1 A 85 85 LYS H H 85 9.505 8.724 0.781 1
1 887 . 3 1 1 A 85 85 LYS HA H 85 4.793 5.017 -0.224 1
1 893 . 3 1 1 A 85 85 LYS C C 85 173.593 175.242 -1.649 1
1 894 . 3 1 1 A 85 85 LYS CA C 85 54.002 54.439 -0.437 1
1 895 . 3 1 1 A 85 85 LYS CB C 85 36.173 35.656 0.517 1
1 899 . 3 1 1 A 85 85 LYS N N 85 122.212 121.794 0.418 1
1 900 . 3 1 1 A 86 86 ALA H H 86 8.714 8.599 0.115 1
1 901 . 3 1 1 A 86 86 ALA HA H 86 4.489 4.290 0.199 1
1 905 . 3 1 1 A 86 86 ALA C C 86 178.091 177.232 0.859 1
1 906 . 3 1 1 A 86 86 ALA CA C 86 52.548 52.485 0.063 1
1 907 . 3 1 1 A 86 86 ALA CB C 86 18.787 19.272 -0.485 1
1 908 . 3 1 1 A 86 86 ALA N N 86 123.336 125.008 -1.672 1
1 909 . 3 1 1 A 87 87 LYS H H 87 8.242 8.689 -0.447 1
1 910 . 3 1 1 A 87 87 LYS HA H 87 3.963 4.284 -0.321 1
1 917 . 3 1 1 A 87 87 LYS C C 87 176.384 175.651 0.733 1
1 918 . 3 1 1 A 87 87 LYS CA C 87 57.672 57.283 0.389 1
1 919 . 3 1 1 A 87 87 LYS CB C 87 33.298 33.032 0.266 1
1 922 . 3 1 1 A 87 87 LYS N N 87 122.855 122.379 0.476 1
1 923 . 3 1 1 A 88 88 GLU H H 88 8.485 8.657 -0.172 1
1 924 . 3 1 1 A 88 88 GLU HA H 88 4.305 4.583 -0.278 1
1 926 . 3 1 1 A 88 88 GLU C C 88 175.437 175.843 -0.406 1
1 927 . 3 1 1 A 88 88 GLU CA C 88 55.863 57.206 -1.343 1
1 928 . 3 1 1 A 88 88 GLU CB C 88 30.831 33.118 -2.287 1
1 929 . 3 1 1 A 88 88 GLU N N 88 122.851 126.202 -3.351 1
1 930 . 3 1 1 A 89 89 ASP H H 89 8.522 7.654 0.868 1
1 931 . 3 1 1 A 89 89 ASP HA H 89 4.840 4.600 0.240 1
1 934 . 3 1 1 A 89 89 ASP CA C 89 52.036 52.965 -0.929 1
1 935 . 3 1 1 A 89 89 ASP CB C 89 41.551 40.132 1.419 1
1 936 . 3 1 1 A 89 89 ASP N N 89 123.882 120.624 3.258 1
1 937 . 3 1 1 A 90 90 PRO HA H 90 4.387 4.504 -0.117 1
1 942 . 3 1 1 A 90 90 PRO C C 90 177.292 177.277 0.015 1
1 943 . 3 1 1 A 90 90 PRO CA C 90 63.694 64.463 -0.769 1
1 944 . 3 1 1 A 90 90 PRO CB C 90 32.270 32.116 0.154 1
1 947 . 3 1 1 A 91 91 LEU H H 91 8.340 7.889 0.451 1
1 948 . 3 1 1 A 91 91 LEU HA H 91 4.230 4.481 -0.251 1
1 958 . 3 1 1 A 91 91 LEU C C 91 177.668 176.520 1.148 1
1 959 . 3 1 1 A 91 91 LEU CA C 91 55.381 55.048 0.333 1
1 960 . 3 1 1 A 91 91 LEU CB C 91 41.733 44.239 -2.506 1
1 964 . 3 1 1 A 91 91 LEU N N 91 120.251 115.707 4.544 1
1 965 . 3 1 1 A 92 92 GLU H H 92 7.977 7.968 0.009 1
1 966 . 3 1 1 A 92 92 GLU C C 92 176.310 176.512 -0.202 1
1 967 . 3 1 1 A 92 92 GLU CA C 92 56.745 57.726 -0.981 1
1 968 . 3 1 1 A 92 92 GLU CB C 92 30.187 32.243 -2.056 1
1 969 . 3 1 1 A 92 92 GLU N N 92 120.217 118.643 1.574 1
1 970 . 3 1 1 A 93 93 HIS H H 93 8.242 7.922 0.320 1
1 972 . 3 1 1 A 93 93 HIS C C 93 173.935 174.461 -0.526 1
1 973 . 3 1 1 A 93 93 HIS CA C 93 55.918 55.064 0.854 1
1 974 . 3 1 1 A 93 93 HIS CB C 93 29.960 30.355 -0.395 1
1 975 . 3 1 1 A 93 93 HIS N N 93 119.107 120.180 -1.073 1
1 976 . 3 1 1 A 94 94 HIS H H 94 8.164 7.724 0.440 1
1 977 . 3 1 1 A 94 94 HIS CA C 94 57.235 55.193 2.042 1
1 978 . 3 1 1 A 94 94 HIS CB C 94 30.225 30.074 0.151 1
1 1 . 4 1 1 A 6 6 ASP C C 6 174.750 176.515 -1.765 1
1 2 . 4 1 1 A 6 6 ASP CA C 6 55.079 56.842 -1.763 1
1 3 . 4 1 1 A 6 6 ASP CB C 6 38.799 40.753 -1.954 1
1 4 . 4 1 1 A 7 7 LEU H H 7 9.403 8.030 1.373 1
1 14 . 4 1 1 A 7 7 LEU CA C 7 53.136 51.848 1.288 1
1 15 . 4 1 1 A 7 7 LEU CB C 7 41.601 42.897 -1.296 1
1 18 . 4 1 1 A 7 7 LEU N N 7 123.103 118.411 4.692 1
1 19 . 4 1 1 A 8 8 PRO HA H 8 4.880 4.867 0.013 1
1 21 . 4 1 1 A 8 8 PRO C C 8 175.617 176.053 -0.436 1
1 22 . 4 1 1 A 8 8 PRO CA C 8 61.559 62.182 -0.623 1
1 23 . 4 1 1 A 8 8 PRO CB C 8 32.973 31.363 1.610 1
1 24 . 4 1 1 A 9 9 ILE H H 9 8.721 8.488 0.233 1
1 25 . 4 1 1 A 9 9 ILE HA H 9 4.156 4.492 -0.336 1
1 35 . 4 1 1 A 9 9 ILE C C 9 175.726 175.686 0.040 1
1 36 . 4 1 1 A 9 9 ILE CA C 9 60.104 61.168 -1.064 1
1 37 . 4 1 1 A 9 9 ILE CB C 9 41.286 38.351 2.935 1
1 40 . 4 1 1 A 9 9 ILE N N 9 118.531 124.091 -5.560 1
1 41 . 4 1 1 A 10 10 VAL H H 10 8.229 8.803 -0.574 1
1 42 . 4 1 1 A 10 10 VAL HA H 10 4.146 4.822 -0.676 1
1 50 . 4 1 1 A 10 10 VAL C C 10 174.221 175.072 -0.851 1
1 51 . 4 1 1 A 10 10 VAL CA C 10 62.271 60.927 1.344 1
1 52 . 4 1 1 A 10 10 VAL CB C 10 33.507 34.236 -0.729 1
1 55 . 4 1 1 A 10 10 VAL N N 10 126.782 127.387 -0.605 1
1 56 . 4 1 1 A 11 11 LEU H H 11 8.533 9.107 -0.574 1
1 57 . 4 1 1 A 11 11 LEU HA H 11 4.615 5.358 -0.743 1
1 67 . 4 1 1 A 11 11 LEU C C 11 176.048 176.320 -0.272 1
1 68 . 4 1 1 A 11 11 LEU CA C 11 54.172 53.795 0.377 1
1 69 . 4 1 1 A 11 11 LEU CB C 11 42.865 45.861 -2.996 1
1 72 . 4 1 1 A 11 11 LEU N N 11 128.336 126.965 1.371 1
1 73 . 4 1 1 A 12 12 ARG H H 12 9.076 8.797 0.279 1
1 74 . 4 1 1 A 12 12 ARG HA H 12 4.620 4.579 0.041 1
1 81 . 4 1 1 A 12 12 ARG C C 12 175.198 176.748 -1.550 1
1 82 . 4 1 1 A 12 12 ARG CA C 12 55.178 56.703 -1.525 1
1 83 . 4 1 1 A 12 12 ARG CB C 12 33.105 32.290 0.815 1
1 86 . 4 1 1 A 12 12 ARG N N 12 126.410 119.545 6.865 1
1 87 . 4 1 1 A 13 13 ASN H H 13 8.914 8.771 0.143 1
1 88 . 4 1 1 A 13 13 ASN HA H 13 4.167 4.711 -0.544 1
1 91 . 4 1 1 A 13 13 ASN C C 13 174.200 175.153 -0.953 1
1 92 . 4 1 1 A 13 13 ASN CA C 13 54.189 54.748 -0.559 1
1 93 . 4 1 1 A 13 13 ASN CB C 13 37.053 37.934 -0.881 1
1 94 . 4 1 1 A 13 13 ASN N N 13 115.665 117.122 -1.457 1
1 95 . 4 1 1 A 14 14 LEU H H 14 8.096 8.051 0.045 1
1 96 . 4 1 1 A 14 14 LEU HA H 14 4.160 4.438 -0.278 1
1 106 . 4 1 1 A 14 14 LEU CA C 14 53.789 52.114 1.675 1
1 107 . 4 1 1 A 14 14 LEU CB C 14 42.801 41.904 0.897 1
1 111 . 4 1 1 A 14 14 LEU N N 14 121.110 121.605 -0.495 1
1 112 . 4 1 1 A 15 15 PRO HA H 15 4.400 4.534 -0.134 1
1 118 . 4 1 1 A 15 15 PRO C C 15 176.937 177.522 -0.585 1
1 119 . 4 1 1 A 15 15 PRO CA C 15 63.627 63.046 0.581 1
1 120 . 4 1 1 A 15 15 PRO CB C 15 32.770 32.741 0.029 1
1 123 . 4 1 1 A 16 16 GLU H H 16 8.472 8.662 -0.190 1
1 124 . 4 1 1 A 16 16 GLU HA H 16 4.083 4.038 0.045 1
1 126 . 4 1 1 A 16 16 GLU C C 16 176.530 177.063 -0.533 1
1 127 . 4 1 1 A 16 16 GLU CA C 16 58.767 58.949 -0.182 1
1 128 . 4 1 1 A 16 16 GLU CB C 16 29.951 29.257 0.694 1
1 129 . 4 1 1 A 16 16 GLU N N 16 119.567 122.133 -2.566 1
1 130 . 4 1 1 A 17 17 ASP H H 17 8.654 7.868 0.786 1
1 131 . 4 1 1 A 17 17 ASP HA H 17 4.600 4.740 -0.140 1
1 134 . 4 1 1 A 17 17 ASP C C 17 175.057 175.026 0.031 1
1 135 . 4 1 1 A 17 17 ASP CA C 17 54.212 54.231 -0.019 1
1 136 . 4 1 1 A 17 17 ASP CB C 17 40.065 41.520 -1.455 1
1 137 . 4 1 1 A 17 17 ASP N N 17 114.516 118.366 -3.850 1
1 138 . 4 1 1 A 18 18 LEU H H 18 7.814 7.741 0.073 1
1 139 . 4 1 1 A 18 18 LEU HA H 18 5.260 4.919 0.341 1
1 149 . 4 1 1 A 18 18 LEU C C 18 174.434 174.589 -0.155 1
1 150 . 4 1 1 A 18 18 LEU CA C 18 53.620 54.038 -0.418 1
1 151 . 4 1 1 A 18 18 LEU CB C 18 46.147 46.437 -0.290 1
1 155 . 4 1 1 A 18 18 LEU N N 18 120.789 120.367 0.422 1
1 156 . 4 1 1 A 19 19 VAL H H 19 8.931 8.539 0.392 1
1 157 . 4 1 1 A 19 19 VAL HA H 19 4.600 4.976 -0.376 1
1 165 . 4 1 1 A 19 19 VAL C C 19 175.054 173.258 1.796 1
1 166 . 4 1 1 A 19 19 VAL CA C 19 59.348 58.976 0.372 1
1 167 . 4 1 1 A 19 19 VAL CB C 19 36.380 36.294 0.086 1
1 170 . 4 1 1 A 19 19 VAL N N 19 111.130 117.888 -6.758 1
1 171 . 4 1 1 A 20 20 LEU H H 20 8.339 8.662 -0.323 1
1 172 . 4 1 1 A 20 20 LEU HA H 20 4.704 4.978 -0.274 1
1 182 . 4 1 1 A 20 20 LEU C C 20 178.790 176.892 1.898 1
1 183 . 4 1 1 A 20 20 LEU CA C 20 55.095 53.077 2.018 1
1 184 . 4 1 1 A 20 20 LEU CB C 20 42.647 46.260 -3.613 1
1 188 . 4 1 1 A 20 20 LEU N N 20 122.936 124.415 -1.479 1
1 189 . 4 1 1 A 21 21 GLU H H 21 8.851 8.441 0.410 1
1 190 . 4 1 1 A 21 21 GLU HA H 21 3.880 4.301 -0.421 1
1 194 . 4 1 1 A 21 21 GLU C C 21 175.661 175.922 -0.261 1
1 195 . 4 1 1 A 21 21 GLU CA C 21 59.434 55.914 3.520 1
1 196 . 4 1 1 A 21 21 GLU CB C 21 31.125 28.512 2.613 1
1 198 . 4 1 1 A 21 21 GLU N N 21 124.719 122.775 1.944 1
1 199 . 4 1 1 A 22 22 LYS H H 22 7.591 8.601 -1.010 1
1 200 . 4 1 1 A 22 22 LYS HA H 22 4.760 4.408 0.352 1
1 203 . 4 1 1 A 22 22 LYS CA C 22 53.277 57.426 -4.149 1
1 204 . 4 1 1 A 22 22 LYS CB C 22 34.301 31.374 2.927 1
1 205 . 4 1 1 A 22 22 LYS N N 22 115.055 114.720 0.335 1
1 206 . 4 1 1 A 23 23 PRO HA H 23 4.343 4.356 -0.013 1
1 213 . 4 1 1 A 23 23 PRO C C 23 176.657 177.438 -0.781 1
1 214 . 4 1 1 A 23 23 PRO CA C 23 62.800 65.595 -2.795 1
1 215 . 4 1 1 A 23 23 PRO CB C 23 32.360 31.732 0.628 1
1 218 . 4 1 1 A 24 24 LEU H H 24 8.507 8.002 0.505 1
1 219 . 4 1 1 A 24 24 LEU HA H 24 4.460 4.068 0.392 1
1 225 . 4 1 1 A 24 24 LEU CA C 24 53.311 55.717 -2.406 1
1 226 . 4 1 1 A 24 24 LEU CB C 24 40.716 40.562 0.154 1
1 228 . 4 1 1 A 24 24 LEU N N 24 121.875 120.028 1.847 1
1 229 . 4 1 1 A 25 25 PRO HA H 25 4.560 4.585 -0.025 1
1 232 . 4 1 1 A 25 25 PRO C C 25 176.019 177.248 -1.229 1
1 233 . 4 1 1 A 25 25 PRO CA C 25 62.448 64.295 -1.847 1
1 234 . 4 1 1 A 25 25 PRO CB C 25 32.035 32.140 -0.105 1
1 235 . 4 1 1 A 26 26 GLU H H 26 7.828 8.825 -0.997 1
1 236 . 4 1 1 A 26 26 GLU HA H 26 4.790 4.480 0.310 1
1 239 . 4 1 1 A 26 26 GLU C C 26 178.159 174.992 3.167 1
1 240 . 4 1 1 A 26 26 GLU CA C 26 55.700 56.225 -0.525 1
1 241 . 4 1 1 A 26 26 GLU CB C 26 30.291 27.900 2.391 1
1 242 . 4 1 1 A 26 26 GLU N N 26 117.053 119.253 -2.200 1
1 243 . 4 1 1 A 27 27 VAL H H 27 8.863 10.290 -1.427 1
1 244 . 4 1 1 A 27 27 VAL HA H 27 4.830 4.963 -0.133 1
1 252 . 4 1 1 A 27 27 VAL C C 27 174.041 174.567 -0.526 1
1 253 . 4 1 1 A 27 27 VAL CA C 27 59.788 59.887 -0.099 1
1 254 . 4 1 1 A 27 27 VAL CB C 27 35.937 35.133 0.804 1
1 257 . 4 1 1 A 27 27 VAL N N 27 114.437 115.169 -0.732 1
1 258 . 4 1 1 A 28 28 SER H H 28 7.870 9.024 -1.154 1
1 259 . 4 1 1 A 28 28 SER HA H 28 5.360 5.406 -0.046 1
1 261 . 4 1 1 A 28 28 SER CA C 28 55.629 56.195 -0.566 1
1 262 . 4 1 1 A 28 28 SER CB C 28 65.215 66.480 -1.265 1
1 263 . 4 1 1 A 28 28 SER N N 28 114.263 114.268 -0.005 1
1 264 . 4 1 1 A 29 29 VAL HA H 29 4.960 4.777 0.183 1
1 272 . 4 1 1 A 29 29 VAL C C 29 174.289 175.167 -0.878 1
1 273 . 4 1 1 A 29 29 VAL CA C 29 58.515 59.220 -0.705 1
1 274 . 4 1 1 A 29 29 VAL CB C 29 34.903 35.292 -0.389 1
1 277 . 4 1 1 A 30 30 THR H H 30 8.579 8.626 -0.047 1
1 278 . 4 1 1 A 30 30 THR HA H 30 5.240 4.629 0.611 1
1 283 . 4 1 1 A 30 30 THR C C 30 173.452 173.878 -0.426 1
1 284 . 4 1 1 A 30 30 THR CA C 30 61.702 60.994 0.708 1
1 285 . 4 1 1 A 30 30 THR CB C 30 70.283 69.197 1.086 1
1 287 . 4 1 1 A 30 30 THR N N 30 118.278 116.579 1.699 1
1 288 . 4 1 1 A 31 31 ILE H H 31 8.919 7.496 1.423 1
1 289 . 4 1 1 A 31 31 ILE HA H 31 5.138 4.162 0.976 1
1 299 . 4 1 1 A 31 31 ILE C C 31 173.712 174.857 -1.145 1
1 300 . 4 1 1 A 31 31 ILE CA C 31 59.199 60.021 -0.822 1
1 301 . 4 1 1 A 31 31 ILE CB C 31 41.425 39.399 2.026 1
1 305 . 4 1 1 A 31 31 ILE N N 31 119.853 123.322 -3.469 1
1 306 . 4 1 1 A 32 32 ARG H H 32 8.715 8.643 0.072 1
1 307 . 4 1 1 A 32 32 ARG C C 32 173.382 175.578 -2.196 1
1 308 . 4 1 1 A 32 32 ARG CA C 32 55.308 54.133 1.175 1
1 309 . 4 1 1 A 32 32 ARG CB C 32 34.457 33.258 1.199 1
1 310 . 4 1 1 A 32 32 ARG N N 32 118.433 126.025 -7.592 1
1 311 . 4 1 1 A 33 33 ALA H H 33 7.873 8.649 -0.776 1
1 312 . 4 1 1 A 33 33 ALA HA H 33 4.510 4.373 0.137 1
1 316 . 4 1 1 A 33 33 ALA C C 33 175.205 176.602 -1.397 1
1 317 . 4 1 1 A 33 33 ALA CA C 33 51.365 51.126 0.239 1
1 318 . 4 1 1 A 33 33 ALA CB C 33 23.433 20.200 3.233 1
1 319 . 4 1 1 A 33 33 ALA N N 33 123.018 128.187 -5.169 1
1 320 . 4 1 1 A 34 34 TYR H H 34 8.171 8.645 -0.474 1
1 321 . 4 1 1 A 34 34 TYR HA H 34 4.860 4.617 0.243 1
1 324 . 4 1 1 A 34 34 TYR CA C 34 56.646 57.345 -0.699 1
1 325 . 4 1 1 A 34 34 TYR CB C 34 36.668 38.727 -2.059 1
1 326 . 4 1 1 A 34 34 TYR N N 34 118.901 117.808 1.093 1
1 327 . 4 1 1 A 35 35 PRO HA H 35 4.100 4.312 -0.212 1
1 330 . 4 1 1 A 35 35 PRO C C 35 177.893 179.039 -1.146 1
1 331 . 4 1 1 A 35 35 PRO CA C 35 66.575 66.025 0.550 1
1 332 . 4 1 1 A 35 35 PRO CB C 35 32.036 31.778 0.258 1
1 333 . 4 1 1 A 36 36 GLU H H 36 9.144 8.430 0.714 1
1 334 . 4 1 1 A 36 36 GLU HA H 36 4.090 4.252 -0.162 1
1 337 . 4 1 1 A 36 36 GLU C C 36 178.276 179.439 -1.163 1
1 338 . 4 1 1 A 36 36 GLU CA C 36 59.597 59.770 -0.173 1
1 339 . 4 1 1 A 36 36 GLU CB C 36 28.790 29.191 -0.401 1
1 340 . 4 1 1 A 36 36 GLU N N 36 115.616 117.363 -1.747 1
1 341 . 4 1 1 A 37 37 ILE H H 37 7.227 8.098 -0.871 1
1 342 . 4 1 1 A 37 37 ILE HA H 37 4.020 3.870 0.150 1
1 352 . 4 1 1 A 37 37 ILE C C 37 178.767 178.237 0.530 1
1 353 . 4 1 1 A 37 37 ILE CA C 37 62.612 64.716 -2.104 1
1 354 . 4 1 1 A 37 37 ILE CB C 37 37.690 37.532 0.158 1
1 358 . 4 1 1 A 37 37 ILE N N 37 117.970 120.736 -2.766 1
1 359 . 4 1 1 A 38 38 LEU H H 38 7.737 7.750 -0.013 1
1 360 . 4 1 1 A 38 38 LEU HA H 38 3.860 4.224 -0.364 1
1 370 . 4 1 1 A 38 38 LEU C C 38 179.021 178.683 0.338 1
1 371 . 4 1 1 A 38 38 LEU CA C 38 57.346 56.456 0.890 1
1 372 . 4 1 1 A 38 38 LEU CB C 38 41.634 42.263 -0.629 1
1 376 . 4 1 1 A 38 38 LEU N N 38 119.122 121.538 -2.416 1
1 377 . 4 1 1 A 39 39 ASN H H 39 8.347 8.675 -0.328 1
1 378 . 4 1 1 A 39 39 ASN HA H 39 4.440 4.508 -0.068 1
1 380 . 4 1 1 A 39 39 ASN C C 39 175.797 176.102 -0.305 1
1 381 . 4 1 1 A 39 39 ASN CA C 39 55.237 56.475 -1.238 1
1 382 . 4 1 1 A 39 39 ASN CB C 39 38.282 38.370 -0.088 1
1 383 . 4 1 1 A 39 39 ASN N N 39 115.266 117.897 -2.631 1
1 384 . 4 1 1 A 40 40 ASN H H 40 7.279 7.269 0.010 1
1 385 . 4 1 1 A 40 40 ASN HA H 40 4.842 4.894 -0.052 1
1 388 . 4 1 1 A 40 40 ASN C C 40 174.085 174.598 -0.513 1
1 389 . 4 1 1 A 40 40 ASN CA C 40 52.778 52.768 0.010 1
1 390 . 4 1 1 A 40 40 ASN CB C 40 39.998 38.949 1.049 1
1 391 . 4 1 1 A 40 40 ASN N N 40 115.166 115.142 0.024 1
1 392 . 4 1 1 A 41 41 LEU H H 41 7.151 7.439 -0.288 1
1 393 . 4 1 1 A 41 41 LEU HA H 41 4.420 5.108 -0.688 1
1 403 . 4 1 1 A 41 41 LEU C C 41 176.343 174.871 1.472 1
1 404 . 4 1 1 A 41 41 LEU CA C 41 55.639 53.400 2.239 1
1 405 . 4 1 1 A 41 41 LEU CB C 41 43.186 44.877 -1.691 1
1 409 . 4 1 1 A 41 41 LEU N N 41 122.633 123.150 -0.517 1
1 410 . 4 1 1 A 42 42 THR H H 42 8.040 8.626 -0.586 1
1 411 . 4 1 1 A 42 42 THR HA H 42 4.770 4.929 -0.159 1
1 416 . 4 1 1 A 42 42 THR C C 42 175.548 176.030 -0.482 1
1 417 . 4 1 1 A 42 42 THR CA C 42 59.354 60.151 -0.797 1
1 418 . 4 1 1 A 42 42 THR CB C 42 71.538 70.975 0.563 1
1 420 . 4 1 1 A 42 42 THR N N 42 117.269 120.747 -3.478 1
1 421 . 4 1 1 A 43 43 LYS H H 43 8.841 8.793 0.048 1
1 422 . 4 1 1 A 43 43 LYS HA H 43 3.780 4.037 -0.257 1
1 428 . 4 1 1 A 43 43 LYS C C 43 177.649 178.296 -0.647 1
1 429 . 4 1 1 A 43 43 LYS CA C 43 59.948 59.082 0.866 1
1 430 . 4 1 1 A 43 43 LYS CB C 43 32.318 31.781 0.537 1
1 432 . 4 1 1 A 43 43 LYS N N 43 120.046 126.120 -6.074 1
1 433 . 4 1 1 A 44 44 GLU H H 44 8.565 8.614 -0.049 1
1 434 . 4 1 1 A 44 44 GLU HA H 44 4.200 4.074 0.126 1
1 438 . 4 1 1 A 44 44 GLU C C 44 177.413 178.599 -1.186 1
1 439 . 4 1 1 A 44 44 GLU CA C 44 58.761 58.490 0.271 1
1 440 . 4 1 1 A 44 44 GLU CB C 44 28.613 28.323 0.290 1
1 441 . 4 1 1 A 44 44 GLU N N 44 117.096 120.119 -3.023 1
1 442 . 4 1 1 A 45 45 GLN H H 45 7.667 8.820 -1.153 1
1 443 . 4 1 1 A 45 45 GLN HA H 45 4.230 4.144 0.086 1
1 446 . 4 1 1 A 45 45 GLN C C 45 174.680 176.477 -1.797 1
1 447 . 4 1 1 A 45 45 GLN CA C 45 56.637 58.112 -1.475 1
1 448 . 4 1 1 A 45 45 GLN CB C 45 30.099 29.140 0.959 1
1 449 . 4 1 1 A 45 45 GLN N N 45 116.509 119.510 -3.001 1
1 450 . 4 1 1 A 46 46 ILE H H 46 7.595 6.976 0.619 1
1 451 . 4 1 1 A 46 46 ILE HA H 46 4.385 3.917 0.468 1
1 461 . 4 1 1 A 46 46 ILE C C 46 174.202 175.653 -1.451 1
1 462 . 4 1 1 A 46 46 ILE CA C 46 60.775 62.298 -1.523 1
1 463 . 4 1 1 A 46 46 ILE CB C 46 38.470 37.890 0.580 1
1 467 . 4 1 1 A 46 46 ILE N N 46 120.018 120.535 -0.517 1
1 468 . 4 1 1 A 47 47 SER H H 47 7.948 8.111 -0.163 1
1 469 . 4 1 1 A 47 47 SER HA H 47 4.915 4.843 0.072 1
1 472 . 4 1 1 A 47 47 SER C C 47 172.724 173.734 -1.010 1
1 473 . 4 1 1 A 47 47 SER CA C 47 57.092 58.142 -1.050 1
1 474 . 4 1 1 A 47 47 SER CB C 47 64.837 64.267 0.570 1
1 475 . 4 1 1 A 47 47 SER N N 47 120.935 124.013 -3.078 1
1 476 . 4 1 1 A 48 48 LEU H H 48 8.665 8.820 -0.155 1
1 477 . 4 1 1 A 48 48 LEU HA H 48 5.707 5.103 0.604 1
1 487 . 4 1 1 A 48 48 LEU C C 48 177.942 175.414 2.528 1
1 488 . 4 1 1 A 48 48 LEU CA C 48 53.244 53.825 -0.581 1
1 489 . 4 1 1 A 48 48 LEU CB C 48 44.148 45.547 -1.399 1
1 493 . 4 1 1 A 48 48 LEU N N 48 124.499 125.082 -0.583 1
1 494 . 4 1 1 A 49 49 TRP H H 49 9.205 8.717 0.488 1
1 495 . 4 1 1 A 49 49 TRP HA H 49 5.819 5.152 0.667 1
1 498 . 4 1 1 A 49 49 TRP C C 49 172.596 174.325 -1.729 1
1 499 . 4 1 1 A 49 49 TRP CA C 49 57.390 57.361 0.029 1
1 500 . 4 1 1 A 49 49 TRP CB C 49 32.341 33.071 -0.730 1
1 501 . 4 1 1 A 49 49 TRP N N 49 122.571 125.466 -2.895 1
1 503 . 4 1 1 A 50 50 ILE H H 50 8.559 8.565 -0.006 1
1 504 . 4 1 1 A 50 50 ILE HA H 50 4.570 4.349 0.221 1
1 514 . 4 1 1 A 50 50 ILE C C 50 174.443 173.925 0.518 1
1 515 . 4 1 1 A 50 50 ILE CA C 50 59.706 59.693 0.013 1
1 516 . 4 1 1 A 50 50 ILE CB C 50 42.605 39.410 3.195 1
1 520 . 4 1 1 A 50 50 ILE N N 50 113.357 127.466 -14.109 1
1 521 . 4 1 1 A 51 51 ASP H H 51 8.497 8.567 -0.070 1
1 522 . 4 1 1 A 51 51 ASP HA H 51 5.226 4.891 0.335 1
1 525 . 4 1 1 A 51 51 ASP C C 51 177.162 175.587 1.575 1
1 526 . 4 1 1 A 51 51 ASP CA C 51 52.584 52.821 -0.237 1
1 527 . 4 1 1 A 51 51 ASP CB C 51 43.343 40.269 3.074 1
1 528 . 4 1 1 A 51 51 ASP N N 51 122.696 126.926 -4.230 1
1 529 . 4 1 1 A 52 52 ALA H H 52 9.021 8.619 0.402 1
1 530 . 4 1 1 A 52 52 ALA HA H 52 4.410 4.542 -0.132 1
1 534 . 4 1 1 A 52 52 ALA C C 52 174.841 177.024 -2.183 1
1 535 . 4 1 1 A 52 52 ALA CA C 52 51.807 51.305 0.502 1
1 536 . 4 1 1 A 52 52 ALA CB C 52 18.117 18.975 -0.858 1
1 537 . 4 1 1 A 52 52 ALA N N 52 131.046 127.397 3.649 1
1 538 . 4 1 1 A 53 53 THR H H 53 8.250 7.657 0.593 1
1 539 . 4 1 1 A 53 53 THR HA H 53 3.880 4.121 -0.241 1
1 544 . 4 1 1 A 53 53 THR C C 53 177.316 175.687 1.629 1
1 545 . 4 1 1 A 53 53 THR CA C 53 66.288 63.820 2.468 1
1 546 . 4 1 1 A 53 53 THR CB C 53 68.896 68.600 0.296 1
1 548 . 4 1 1 A 53 53 THR N N 53 116.426 114.631 1.795 1
1 549 . 4 1 1 A 54 54 GLY H H 54 9.304 8.963 0.341 1
1 550 . 4 1 1 A 54 54 GLY HA2 H 54 3.950 3.990 -0.040 1
1 551 . 4 1 1 A 54 54 GLY HA3 H 54 3.770 4.003 -0.233 1
1 552 . 4 1 1 A 54 54 GLY C C 54 174.142 174.230 -0.088 1
1 553 . 4 1 1 A 54 54 GLY CA C 54 45.832 44.982 0.850 1
1 554 . 4 1 1 A 54 54 GLY N N 54 115.462 116.356 -0.894 1
1 555 . 4 1 1 A 55 55 LYS H H 55 7.588 7.826 -0.238 1
1 556 . 4 1 1 A 55 55 LYS HA H 55 4.067 4.144 -0.077 1
1 565 . 4 1 1 A 55 55 LYS C C 55 174.805 175.549 -0.744 1
1 566 . 4 1 1 A 55 55 LYS CA C 55 54.856 57.152 -2.296 1
1 567 . 4 1 1 A 55 55 LYS CB C 55 32.971 33.671 -0.700 1
1 571 . 4 1 1 A 55 55 LYS N N 55 120.231 121.144 -0.913 1
1 572 . 4 1 1 A 56 56 ALA H H 56 7.619 8.515 -0.896 1
1 573 . 4 1 1 A 56 56 ALA HA H 56 4.620 4.708 -0.088 1
1 577 . 4 1 1 A 56 56 ALA C C 56 177.034 176.254 0.780 1
1 578 . 4 1 1 A 56 56 ALA CA C 56 49.962 51.173 -1.211 1
1 579 . 4 1 1 A 56 56 ALA CB C 56 21.814 22.858 -1.044 1
1 580 . 4 1 1 A 56 56 ALA N N 56 121.951 120.792 1.159 1
1 581 . 4 1 1 A 57 57 VAL H H 57 7.896 8.497 -0.601 1
1 582 . 4 1 1 A 57 57 VAL HA H 57 3.520 3.707 -0.187 1
1 590 . 4 1 1 A 57 57 VAL C C 57 175.691 176.343 -0.652 1
1 591 . 4 1 1 A 57 57 VAL CA C 57 64.652 64.965 -0.313 1
1 592 . 4 1 1 A 57 57 VAL CB C 57 32.644 31.439 1.205 1
1 595 . 4 1 1 A 57 57 VAL N N 57 116.475 119.138 -2.663 1
1 596 . 4 1 1 A 58 58 GLY H H 58 8.429 8.600 -0.171 1
1 597 . 4 1 1 A 58 58 GLY HA2 H 58 4.442 4.198 0.244 1
1 598 . 4 1 1 A 58 58 GLY HA3 H 58 3.739 4.205 -0.466 1
1 599 . 4 1 1 A 58 58 GLY C C 58 170.877 173.322 -2.445 1
1 600 . 4 1 1 A 58 58 GLY CA C 58 43.207 44.038 -0.831 1
1 601 . 4 1 1 A 58 58 GLY N N 58 113.209 112.044 1.165 1
1 602 . 4 1 1 A 59 59 GLU H H 59 8.017 8.394 -0.377 1
1 603 . 4 1 1 A 59 59 GLU HA H 59 4.690 4.971 -0.281 1
1 606 . 4 1 1 A 59 59 GLU C C 59 175.309 175.687 -0.378 1
1 607 . 4 1 1 A 59 59 GLU CA C 59 55.370 56.350 -0.980 1
1 608 . 4 1 1 A 59 59 GLU CB C 59 32.114 29.988 2.126 1
1 610 . 4 1 1 A 59 59 GLU N N 59 119.976 118.609 1.367 1
1 611 . 4 1 1 A 60 60 HIS H H 60 9.001 8.835 0.166 1
1 612 . 4 1 1 A 60 60 HIS HA H 60 4.637 5.088 -0.451 1
1 615 . 4 1 1 A 60 60 HIS C C 60 173.585 172.843 0.742 1
1 616 . 4 1 1 A 60 60 HIS CA C 60 55.364 55.889 -0.525 1
1 617 . 4 1 1 A 60 60 HIS CB C 60 33.699 33.417 0.282 1
1 618 . 4 1 1 A 60 60 HIS N N 60 125.266 122.996 2.270 1
1 619 . 4 1 1 A 61 61 THR H H 61 8.712 8.178 0.534 1
1 620 . 4 1 1 A 61 61 THR HA H 61 5.333 4.627 0.706 1
1 625 . 4 1 1 A 61 61 THR C C 61 175.155 173.892 1.263 1
1 626 . 4 1 1 A 61 61 THR CA C 61 62.600 61.915 0.685 1
1 627 . 4 1 1 A 61 61 THR CB C 61 69.914 69.670 0.244 1
1 628 . 4 1 1 A 61 61 THR N N 61 120.973 119.181 1.792 1
1 629 . 4 1 1 A 62 62 VAL H H 62 9.313 8.810 0.503 1
1 630 . 4 1 1 A 62 62 VAL HA H 62 4.910 4.873 0.037 1
1 638 . 4 1 1 A 62 62 VAL C C 62 173.545 173.959 -0.414 1
1 639 . 4 1 1 A 62 62 VAL CA C 62 58.734 59.211 -0.477 1
1 640 . 4 1 1 A 62 62 VAL CB C 62 36.638 35.399 1.239 1
1 643 . 4 1 1 A 62 62 VAL N N 62 120.591 120.529 0.062 1
1 644 . 4 1 1 A 63 63 LYS H H 63 7.815 8.606 -0.791 1
1 645 . 4 1 1 A 63 63 LYS HA H 63 4.552 4.723 -0.171 1
1 650 . 4 1 1 A 63 63 LYS C C 63 175.805 175.996 -0.191 1
1 651 . 4 1 1 A 63 63 LYS CA C 63 54.680 55.453 -0.773 1
1 652 . 4 1 1 A 63 63 LYS CB C 63 32.896 33.496 -0.600 1
1 656 . 4 1 1 A 63 63 LYS N N 63 118.768 123.341 -4.573 1
1 657 . 4 1 1 A 64 64 ILE H H 64 8.349 8.865 -0.516 1
1 658 . 4 1 1 A 64 64 ILE HA H 64 3.870 4.077 -0.207 1
1 668 . 4 1 1 A 64 64 ILE C C 64 175.894 176.416 -0.522 1
1 669 . 4 1 1 A 64 64 ILE CA C 64 61.324 62.002 -0.678 1
1 670 . 4 1 1 A 64 64 ILE CB C 64 39.638 37.317 2.321 1
1 674 . 4 1 1 A 64 64 ILE N N 64 121.703 125.284 -3.581 1
1 675 . 4 1 1 A 65 65 TYR H H 65 8.491 8.684 -0.193 1
1 676 . 4 1 1 A 65 65 TYR CA C 65 57.180 62.096 -4.916 1
1 677 . 4 1 1 A 65 65 TYR CB C 65 37.490 39.148 -1.658 1
1 678 . 4 1 1 A 65 65 TYR N N 65 125.077 127.945 -2.868 1
1 680 . 4 1 1 A 66 66 TRP C C 66 175.586 174.405 1.181 1
1 681 . 4 1 1 A 66 66 TRP CB C 66 33.607 28.231 5.376 1
1 683 . 4 1 1 A 67 67 GLN H H 67 9.048 7.966 1.082 1
1 684 . 4 1 1 A 67 67 GLN HA H 67 4.751 4.948 -0.197 1
1 687 . 4 1 1 A 67 67 GLN C C 67 174.057 174.446 -0.389 1
1 688 . 4 1 1 A 67 67 GLN CA C 67 56.338 54.896 1.442 1
1 689 . 4 1 1 A 67 67 GLN CB C 67 32.401 32.477 -0.076 1
1 690 . 4 1 1 A 67 67 GLN N N 67 119.746 126.986 -7.240 1
1 691 . 4 1 1 A 68 68 LEU H H 68 8.898 8.838 0.060 1
1 692 . 4 1 1 A 68 68 LEU HA H 68 5.160 4.978 0.182 1
1 702 . 4 1 1 A 68 68 LEU CA C 68 51.902 51.050 0.852 1
1 703 . 4 1 1 A 68 68 LEU CB C 68 45.191 44.885 0.306 1
1 707 . 4 1 1 A 68 68 LEU N N 68 126.170 123.984 2.186 1
1 708 . 4 1 1 A 69 69 PRO HA H 69 4.511 4.387 0.124 1
1 715 . 4 1 1 A 69 69 PRO C C 69 175.054 176.525 -1.471 1
1 716 . 4 1 1 A 69 69 PRO CA C 69 62.538 64.135 -1.597 1
1 717 . 4 1 1 A 69 69 PRO CB C 69 32.297 31.758 0.539 1
1 720 . 4 1 1 A 70 70 ALA H H 70 8.307 7.806 0.501 1
1 721 . 4 1 1 A 70 70 ALA HA H 70 4.180 4.441 -0.261 1
1 725 . 4 1 1 A 70 70 ALA C C 70 178.404 178.078 0.326 1
1 726 . 4 1 1 A 70 70 ALA CA C 70 53.532 52.153 1.379 1
1 727 . 4 1 1 A 70 70 ALA CB C 70 18.613 20.324 -1.711 1
1 728 . 4 1 1 A 70 70 ALA N N 70 123.217 122.421 0.796 1
1 729 . 4 1 1 A 71 71 GLY H H 71 8.667 8.390 0.277 1
1 730 . 4 1 1 A 71 71 GLY HA2 H 71 4.230 4.127 0.103 1
1 731 . 4 1 1 A 71 71 GLY HA3 H 71 3.650 4.141 -0.491 1
1 732 . 4 1 1 A 71 71 GLY C C 71 173.707 173.692 0.015 1
1 733 . 4 1 1 A 71 71 GLY CA C 71 45.049 46.098 -1.049 1
1 734 . 4 1 1 A 71 71 GLY N N 71 108.062 108.074 -0.012 1
1 735 . 4 1 1 A 72 72 ILE H H 72 7.448 7.784 -0.336 1
1 736 . 4 1 1 A 72 72 ILE HA H 72 4.569 4.435 0.134 1
1 745 . 4 1 1 A 72 72 ILE C C 72 174.450 174.442 0.008 1
1 746 . 4 1 1 A 72 72 ILE CA C 72 60.281 60.105 0.176 1
1 747 . 4 1 1 A 72 72 ILE CB C 72 37.826 40.035 -2.209 1
1 751 . 4 1 1 A 72 72 ILE N N 72 118.695 122.250 -3.555 1
1 752 . 4 1 1 A 73 73 GLU H H 73 8.767 8.642 0.125 1
1 755 . 4 1 1 A 73 73 GLU C C 73 175.210 175.821 -0.611 1
1 756 . 4 1 1 A 73 73 GLU CA C 73 54.306 54.539 -0.233 1
1 757 . 4 1 1 A 73 73 GLU CB C 73 32.927 32.624 0.303 1
1 758 . 4 1 1 A 73 73 GLU N N 73 126.361 125.016 1.345 1
1 759 . 4 1 1 A 74 74 MET H H 74 8.618 8.835 -0.217 1
1 760 . 4 1 1 A 74 74 MET HA H 74 4.307 4.426 -0.119 1
1 764 . 4 1 1 A 74 74 MET C C 74 175.176 175.634 -0.458 1
1 765 . 4 1 1 A 74 74 MET CA C 74 53.791 54.560 -0.769 1
1 766 . 4 1 1 A 74 74 MET CB C 74 31.127 31.976 -0.849 1
1 768 . 4 1 1 A 74 74 MET N N 74 124.594 123.765 0.829 1
1 769 . 4 1 1 A 75 75 VAL H H 75 8.679 8.736 -0.057 1
1 770 . 4 1 1 A 75 75 VAL HA H 75 3.922 3.949 -0.027 1
1 778 . 4 1 1 A 75 75 VAL C C 75 176.056 176.178 -0.122 1
1 779 . 4 1 1 A 75 75 VAL CA C 75 64.246 63.516 0.730 1
1 780 . 4 1 1 A 75 75 VAL CB C 75 32.577 32.482 0.095 1
1 783 . 4 1 1 A 75 75 VAL N N 75 128.728 126.011 2.717 1
1 784 . 4 1 1 A 76 76 SER H H 76 7.610 7.714 -0.104 1
1 785 . 4 1 1 A 76 76 SER HA H 76 4.641 4.973 -0.332 1
1 787 . 4 1 1 A 76 76 SER C C 76 171.007 171.879 -0.872 1
1 788 . 4 1 1 A 76 76 SER CA C 76 57.618 57.374 0.244 1
1 789 . 4 1 1 A 76 76 SER CB C 76 65.001 67.082 -2.081 1
1 790 . 4 1 1 A 76 76 SER N N 76 112.117 113.456 -1.339 1
1 791 . 4 1 1 A 77 77 ILE H H 77 8.019 8.967 -0.948 1
1 792 . 4 1 1 A 77 77 ILE HA H 77 4.790 4.669 0.121 1
1 802 . 4 1 1 A 77 77 ILE CA C 77 57.476 57.364 0.112 1
1 803 . 4 1 1 A 77 77 ILE CB C 77 41.550 40.679 0.871 1
1 806 . 4 1 1 A 77 77 ILE N N 77 124.876 122.823 2.053 1
1 807 . 4 1 1 A 78 78 PRO HA H 78 4.662 4.780 -0.118 1
1 814 . 4 1 1 A 78 78 PRO C C 78 176.687 175.975 0.712 1
1 815 . 4 1 1 A 78 78 PRO CA C 78 62.854 62.146 0.708 1
1 816 . 4 1 1 A 78 78 PRO CB C 78 36.960 32.644 4.316 1
1 819 . 4 1 1 A 79 79 ASP H H 79 7.912 8.552 -0.640 1
1 820 . 4 1 1 A 79 79 ASP HA H 79 4.980 5.556 -0.576 1
1 823 . 4 1 1 A 79 79 ASP C C 79 175.812 174.167 1.645 1
1 824 . 4 1 1 A 79 79 ASP CA C 79 54.046 52.069 1.977 1
1 825 . 4 1 1 A 79 79 ASP CB C 79 41.269 45.157 -3.888 1
1 826 . 4 1 1 A 79 79 ASP N N 79 118.235 117.918 0.317 1
1 827 . 4 1 1 A 80 80 VAL H H 80 8.641 8.250 0.391 1
1 828 . 4 1 1 A 80 80 VAL HA H 80 4.623 4.786 -0.163 1
1 836 . 4 1 1 A 80 80 VAL C C 80 172.960 173.148 -0.188 1
1 837 . 4 1 1 A 80 80 VAL CA C 80 60.561 59.760 0.801 1
1 838 . 4 1 1 A 80 80 VAL CB C 80 36.112 35.673 0.439 1
1 841 . 4 1 1 A 80 80 VAL N N 80 116.881 119.370 -2.489 1
1 842 . 4 1 1 A 81 81 THR H H 81 8.304 8.416 -0.112 1
1 843 . 4 1 1 A 81 81 THR HA H 81 5.822 5.007 0.815 1
1 848 . 4 1 1 A 81 81 THR C C 81 173.431 172.918 0.513 1
1 849 . 4 1 1 A 81 81 THR CA C 81 61.014 60.678 0.336 1
1 850 . 4 1 1 A 81 81 THR CB C 81 70.663 71.811 -1.148 1
1 852 . 4 1 1 A 81 81 THR N N 81 123.670 121.290 2.380 1
1 853 . 4 1 1 A 82 82 TYR H H 82 9.293 8.644 0.649 1
1 854 . 4 1 1 A 82 82 TYR HA H 82 5.040 5.135 -0.095 1
1 857 . 4 1 1 A 82 82 TYR C C 82 172.210 172.214 -0.004 1
1 858 . 4 1 1 A 82 82 TYR CA C 82 55.640 56.032 -0.392 1
1 859 . 4 1 1 A 82 82 TYR CB C 82 41.461 40.425 1.036 1
1 860 . 4 1 1 A 82 82 TYR N N 82 124.984 121.531 3.453 1
1 861 . 4 1 1 A 83 83 THR H H 83 8.774 8.732 0.042 1
1 862 . 4 1 1 A 83 83 THR HA H 83 5.150 4.916 0.234 1
1 864 . 4 1 1 A 83 83 THR C C 83 173.942 174.502 -0.560 1
1 865 . 4 1 1 A 83 83 THR CA C 83 61.324 61.735 -0.411 1
1 866 . 4 1 1 A 83 83 THR CB C 83 71.117 70.421 0.696 1
1 867 . 4 1 1 A 83 83 THR N N 83 115.669 115.204 0.465 1
1 868 . 4 1 1 A 84 84 LEU H H 84 8.859 9.041 -0.182 1
1 869 . 4 1 1 A 84 84 LEU HA H 84 5.400 4.984 0.416 1
1 879 . 4 1 1 A 84 84 LEU C C 84 176.575 176.456 0.119 1
1 880 . 4 1 1 A 84 84 LEU CA C 84 52.755 53.346 -0.591 1
1 881 . 4 1 1 A 84 84 LEU CB C 84 44.443 43.915 0.528 1
1 885 . 4 1 1 A 84 84 LEU N N 84 125.146 127.312 -2.166 1
1 886 . 4 1 1 A 85 85 LYS H H 85 9.505 8.894 0.611 1
1 887 . 4 1 1 A 85 85 LYS HA H 85 4.793 4.945 -0.152 1
1 893 . 4 1 1 A 85 85 LYS C C 85 173.593 175.297 -1.704 1
1 894 . 4 1 1 A 85 85 LYS CA C 85 54.002 54.396 -0.394 1
1 895 . 4 1 1 A 85 85 LYS CB C 85 36.173 35.416 0.757 1
1 899 . 4 1 1 A 85 85 LYS N N 85 122.212 121.246 0.966 1
1 900 . 4 1 1 A 86 86 ALA H H 86 8.714 8.535 0.179 1
1 901 . 4 1 1 A 86 86 ALA HA H 86 4.489 4.280 0.209 1
1 905 . 4 1 1 A 86 86 ALA C C 86 178.091 177.147 0.944 1
1 906 . 4 1 1 A 86 86 ALA CA C 86 52.548 52.513 0.035 1
1 907 . 4 1 1 A 86 86 ALA CB C 86 18.787 19.169 -0.382 1
1 908 . 4 1 1 A 86 86 ALA N N 86 123.336 125.335 -1.999 1
1 909 . 4 1 1 A 87 87 LYS H H 87 8.242 8.374 -0.132 1
1 910 . 4 1 1 A 87 87 LYS HA H 87 3.963 4.276 -0.313 1
1 917 . 4 1 1 A 87 87 LYS C C 87 176.384 176.413 -0.029 1
1 918 . 4 1 1 A 87 87 LYS CA C 87 57.672 57.194 0.478 1
1 919 . 4 1 1 A 87 87 LYS CB C 87 33.298 32.620 0.678 1
1 922 . 4 1 1 A 87 87 LYS N N 87 122.855 122.076 0.779 1
1 923 . 4 1 1 A 88 88 GLU H H 88 8.485 8.665 -0.180 1
1 924 . 4 1 1 A 88 88 GLU HA H 88 4.305 4.623 -0.318 1
1 926 . 4 1 1 A 88 88 GLU C C 88 175.437 175.712 -0.275 1
1 927 . 4 1 1 A 88 88 GLU CA C 88 55.863 55.900 -0.037 1
1 928 . 4 1 1 A 88 88 GLU CB C 88 30.831 30.820 0.011 1
1 929 . 4 1 1 A 88 88 GLU N N 88 122.851 125.478 -2.627 1
1 930 . 4 1 1 A 89 89 ASP H H 89 8.522 7.485 1.037 1
1 931 . 4 1 1 A 89 89 ASP HA H 89 4.840 4.650 0.190 1
1 934 . 4 1 1 A 89 89 ASP CA C 89 52.036 52.834 -0.798 1
1 935 . 4 1 1 A 89 89 ASP CB C 89 41.551 39.780 1.771 1
1 936 . 4 1 1 A 89 89 ASP N N 89 123.882 121.301 2.581 1
1 937 . 4 1 1 A 90 90 PRO HA H 90 4.387 4.381 0.006 1
1 942 . 4 1 1 A 90 90 PRO C C 90 177.292 176.727 0.565 1
1 943 . 4 1 1 A 90 90 PRO CA C 90 63.694 63.573 0.121 1
1 944 . 4 1 1 A 90 90 PRO CB C 90 32.270 32.178 0.092 1
1 947 . 4 1 1 A 91 91 LEU H H 91 8.340 7.924 0.416 1
1 948 . 4 1 1 A 91 91 LEU HA H 91 4.230 3.821 0.409 1
1 958 . 4 1 1 A 91 91 LEU C C 91 177.668 175.605 2.063 1
1 959 . 4 1 1 A 91 91 LEU CA C 91 55.381 56.273 -0.892 1
1 960 . 4 1 1 A 91 91 LEU CB C 91 41.733 40.711 1.022 1
1 964 . 4 1 1 A 91 91 LEU N N 91 120.251 117.072 3.179 1
1 965 . 4 1 1 A 92 92 GLU H H 92 7.977 7.713 0.264 1
1 966 . 4 1 1 A 92 92 GLU C C 92 176.310 176.029 0.281 1
1 967 . 4 1 1 A 92 92 GLU CA C 92 56.745 57.417 -0.672 1
1 968 . 4 1 1 A 92 92 GLU CB C 92 30.187 30.667 -0.480 1
1 969 . 4 1 1 A 92 92 GLU N N 92 120.217 117.519 2.698 1
1 970 . 4 1 1 A 93 93 HIS H H 93 8.242 7.905 0.337 1
1 972 . 4 1 1 A 93 93 HIS C C 93 173.935 174.443 -0.508 1
1 973 . 4 1 1 A 93 93 HIS CA C 93 55.918 56.917 -0.999 1
1 974 . 4 1 1 A 93 93 HIS CB C 93 29.960 32.058 -2.098 1
1 975 . 4 1 1 A 93 93 HIS N N 93 119.107 116.240 2.867 1
1 976 . 4 1 1 A 94 94 HIS H H 94 8.164 7.773 0.391 1
1 977 . 4 1 1 A 94 94 HIS CA C 94 57.235 54.621 2.614 1
1 978 . 4 1 1 A 94 94 HIS CB C 94 30.225 33.322 -3.097 1
1 1 . 5 1 1 A 6 6 ASP C C 6 174.750 176.449 -1.699 1
1 2 . 5 1 1 A 6 6 ASP CA C 6 55.079 56.980 -1.901 1
1 3 . 5 1 1 A 6 6 ASP CB C 6 38.799 42.401 -3.602 1
1 4 . 5 1 1 A 7 7 LEU H H 7 9.403 8.036 1.367 1
1 14 . 5 1 1 A 7 7 LEU CA C 7 53.136 51.952 1.184 1
1 15 . 5 1 1 A 7 7 LEU CB C 7 41.601 43.043 -1.442 1
1 18 . 5 1 1 A 7 7 LEU N N 7 123.103 120.483 2.620 1
1 19 . 5 1 1 A 8 8 PRO HA H 8 4.880 4.551 0.329 1
1 21 . 5 1 1 A 8 8 PRO C C 8 175.617 177.071 -1.454 1
1 22 . 5 1 1 A 8 8 PRO CA C 8 61.559 62.902 -1.343 1
1 23 . 5 1 1 A 8 8 PRO CB C 8 32.973 31.809 1.164 1
1 24 . 5 1 1 A 9 9 ILE H H 9 8.721 8.354 0.367 1
1 25 . 5 1 1 A 9 9 ILE HA H 9 4.156 4.426 -0.270 1
1 35 . 5 1 1 A 9 9 ILE C C 9 175.726 175.984 -0.258 1
1 36 . 5 1 1 A 9 9 ILE CA C 9 60.104 61.315 -1.211 1
1 37 . 5 1 1 A 9 9 ILE CB C 9 41.286 38.474 2.812 1
1 40 . 5 1 1 A 9 9 ILE N N 9 118.531 124.049 -5.518 1
1 41 . 5 1 1 A 10 10 VAL H H 10 8.229 8.668 -0.439 1
1 42 . 5 1 1 A 10 10 VAL HA H 10 4.146 4.708 -0.562 1
1 50 . 5 1 1 A 10 10 VAL C C 10 174.221 175.239 -1.018 1
1 51 . 5 1 1 A 10 10 VAL CA C 10 62.271 61.027 1.244 1
1 52 . 5 1 1 A 10 10 VAL CB C 10 33.507 33.956 -0.449 1
1 55 . 5 1 1 A 10 10 VAL N N 10 126.782 126.205 0.577 1
1 56 . 5 1 1 A 11 11 LEU H H 11 8.533 9.063 -0.530 1
1 57 . 5 1 1 A 11 11 LEU HA H 11 4.615 5.247 -0.632 1
1 67 . 5 1 1 A 11 11 LEU C C 11 176.048 176.456 -0.408 1
1 68 . 5 1 1 A 11 11 LEU CA C 11 54.172 53.707 0.465 1
1 69 . 5 1 1 A 11 11 LEU CB C 11 42.865 44.857 -1.992 1
1 72 . 5 1 1 A 11 11 LEU N N 11 128.336 126.908 1.428 1
1 73 . 5 1 1 A 12 12 ARG H H 12 9.076 8.688 0.388 1
1 74 . 5 1 1 A 12 12 ARG HA H 12 4.620 4.603 0.017 1
1 81 . 5 1 1 A 12 12 ARG C C 12 175.198 177.450 -2.252 1
1 82 . 5 1 1 A 12 12 ARG CA C 12 55.178 56.495 -1.317 1
1 83 . 5 1 1 A 12 12 ARG CB C 12 33.105 32.391 0.714 1
1 86 . 5 1 1 A 12 12 ARG N N 12 126.410 120.226 6.184 1
1 87 . 5 1 1 A 13 13 ASN H H 13 8.914 8.509 0.405 1
1 88 . 5 1 1 A 13 13 ASN HA H 13 4.167 4.736 -0.569 1
1 91 . 5 1 1 A 13 13 ASN C C 13 174.200 175.138 -0.938 1
1 92 . 5 1 1 A 13 13 ASN CA C 13 54.189 54.675 -0.486 1
1 93 . 5 1 1 A 13 13 ASN CB C 13 37.053 38.016 -0.963 1
1 94 . 5 1 1 A 13 13 ASN N N 13 115.665 116.662 -0.997 1
1 95 . 5 1 1 A 14 14 LEU H H 14 8.096 8.445 -0.349 1
1 96 . 5 1 1 A 14 14 LEU HA H 14 4.160 4.495 -0.335 1
1 106 . 5 1 1 A 14 14 LEU CA C 14 53.789 52.017 1.772 1
1 107 . 5 1 1 A 14 14 LEU CB C 14 42.801 41.898 0.903 1
1 111 . 5 1 1 A 14 14 LEU N N 14 121.110 121.566 -0.456 1
1 112 . 5 1 1 A 15 15 PRO HA H 15 4.400 4.540 -0.140 1
1 118 . 5 1 1 A 15 15 PRO C C 15 176.937 177.622 -0.685 1
1 119 . 5 1 1 A 15 15 PRO CA C 15 63.627 63.173 0.454 1
1 120 . 5 1 1 A 15 15 PRO CB C 15 32.770 32.754 0.016 1
1 123 . 5 1 1 A 16 16 GLU H H 16 8.472 8.672 -0.200 1
1 124 . 5 1 1 A 16 16 GLU HA H 16 4.083 4.036 0.047 1
1 126 . 5 1 1 A 16 16 GLU C C 16 176.530 177.048 -0.518 1
1 127 . 5 1 1 A 16 16 GLU CA C 16 58.767 59.077 -0.310 1
1 128 . 5 1 1 A 16 16 GLU CB C 16 29.951 29.298 0.653 1
1 129 . 5 1 1 A 16 16 GLU N N 16 119.567 122.202 -2.635 1
1 130 . 5 1 1 A 17 17 ASP H H 17 8.654 7.948 0.706 1
1 131 . 5 1 1 A 17 17 ASP HA H 17 4.600 4.708 -0.108 1
1 134 . 5 1 1 A 17 17 ASP C C 17 175.057 174.959 0.098 1
1 135 . 5 1 1 A 17 17 ASP CA C 17 54.212 54.060 0.152 1
1 136 . 5 1 1 A 17 17 ASP CB C 17 40.065 41.718 -1.653 1
1 137 . 5 1 1 A 17 17 ASP N N 17 114.516 118.361 -3.845 1
1 138 . 5 1 1 A 18 18 LEU H H 18 7.814 7.951 -0.137 1
1 139 . 5 1 1 A 18 18 LEU HA H 18 5.260 4.974 0.286 1
1 149 . 5 1 1 A 18 18 LEU C C 18 174.434 174.640 -0.206 1
1 150 . 5 1 1 A 18 18 LEU CA C 18 53.620 54.127 -0.507 1
1 151 . 5 1 1 A 18 18 LEU CB C 18 46.147 46.516 -0.369 1
1 155 . 5 1 1 A 18 18 LEU N N 18 120.789 120.573 0.216 1
1 156 . 5 1 1 A 19 19 VAL H H 19 8.931 8.543 0.388 1
1 157 . 5 1 1 A 19 19 VAL HA H 19 4.600 4.985 -0.385 1
1 165 . 5 1 1 A 19 19 VAL C C 19 175.054 173.663 1.391 1
1 166 . 5 1 1 A 19 19 VAL CA C 19 59.348 59.099 0.249 1
1 167 . 5 1 1 A 19 19 VAL CB C 19 36.380 36.268 0.112 1
1 170 . 5 1 1 A 19 19 VAL N N 19 111.130 118.694 -7.564 1
1 171 . 5 1 1 A 20 20 LEU H H 20 8.339 8.632 -0.293 1
1 172 . 5 1 1 A 20 20 LEU HA H 20 4.704 4.997 -0.293 1
1 182 . 5 1 1 A 20 20 LEU C C 20 178.790 176.948 1.842 1
1 183 . 5 1 1 A 20 20 LEU CA C 20 55.095 53.701 1.394 1
1 184 . 5 1 1 A 20 20 LEU CB C 20 42.647 44.543 -1.896 1
1 188 . 5 1 1 A 20 20 LEU N N 20 122.936 124.250 -1.314 1
1 189 . 5 1 1 A 21 21 GLU H H 21 8.851 8.801 0.050 1
1 190 . 5 1 1 A 21 21 GLU HA H 21 3.880 4.610 -0.730 1
1 194 . 5 1 1 A 21 21 GLU C C 21 175.661 176.056 -0.395 1
1 195 . 5 1 1 A 21 21 GLU CA C 21 59.434 55.877 3.557 1
1 196 . 5 1 1 A 21 21 GLU CB C 21 31.125 30.368 0.757 1
1 198 . 5 1 1 A 21 21 GLU N N 21 124.719 122.438 2.281 1
1 199 . 5 1 1 A 22 22 LYS H H 22 7.591 7.363 0.228 1
1 200 . 5 1 1 A 22 22 LYS HA H 22 4.760 4.630 0.130 1
1 203 . 5 1 1 A 22 22 LYS CA C 22 53.277 55.476 -2.199 1
1 204 . 5 1 1 A 22 22 LYS CB C 22 34.301 34.740 -0.439 1
1 205 . 5 1 1 A 22 22 LYS N N 22 115.055 116.111 -1.056 1
1 206 . 5 1 1 A 23 23 PRO HA H 23 4.343 3.962 0.381 1
1 213 . 5 1 1 A 23 23 PRO C C 23 176.657 177.328 -0.671 1
1 214 . 5 1 1 A 23 23 PRO CA C 23 62.800 64.968 -2.168 1
1 215 . 5 1 1 A 23 23 PRO CB C 23 32.360 31.969 0.391 1
1 218 . 5 1 1 A 24 24 LEU H H 24 8.507 8.002 0.505 1
1 219 . 5 1 1 A 24 24 LEU HA H 24 4.460 4.059 0.401 1
1 225 . 5 1 1 A 24 24 LEU CA C 24 53.311 55.660 -2.349 1
1 226 . 5 1 1 A 24 24 LEU CB C 24 40.716 40.656 0.060 1
1 228 . 5 1 1 A 24 24 LEU N N 24 121.875 120.209 1.666 1
1 229 . 5 1 1 A 25 25 PRO HA H 25 4.560 4.368 0.192 1
1 232 . 5 1 1 A 25 25 PRO C C 25 176.019 177.168 -1.149 1
1 233 . 5 1 1 A 25 25 PRO CA C 25 62.448 66.167 -3.719 1
1 234 . 5 1 1 A 25 25 PRO CB C 25 32.035 31.278 0.757 1
1 235 . 5 1 1 A 26 26 GLU H H 26 7.828 8.077 -0.249 1
1 236 . 5 1 1 A 26 26 GLU HA H 26 4.790 3.798 0.992 1
1 239 . 5 1 1 A 26 26 GLU C C 26 178.159 175.595 2.564 1
1 240 . 5 1 1 A 26 26 GLU CA C 26 55.700 56.998 -1.298 1
1 241 . 5 1 1 A 26 26 GLU CB C 26 30.291 28.157 2.134 1
1 242 . 5 1 1 A 26 26 GLU N N 26 117.053 117.094 -0.041 1
1 243 . 5 1 1 A 27 27 VAL H H 27 8.863 7.999 0.864 1
1 244 . 5 1 1 A 27 27 VAL HA H 27 4.830 4.110 0.720 1
1 252 . 5 1 1 A 27 27 VAL C C 27 174.041 174.683 -0.642 1
1 253 . 5 1 1 A 27 27 VAL CA C 27 59.788 62.515 -2.727 1
1 254 . 5 1 1 A 27 27 VAL CB C 27 35.937 32.560 3.377 1
1 257 . 5 1 1 A 27 27 VAL N N 27 114.437 120.494 -6.057 1
1 258 . 5 1 1 A 28 28 SER H H 28 7.870 8.943 -1.073 1
1 259 . 5 1 1 A 28 28 SER HA H 28 5.360 5.034 0.326 1
1 261 . 5 1 1 A 28 28 SER CA C 28 55.629 56.520 -0.891 1
1 262 . 5 1 1 A 28 28 SER CB C 28 65.215 64.481 0.734 1
1 263 . 5 1 1 A 28 28 SER N N 28 114.263 122.779 -8.516 1
1 264 . 5 1 1 A 29 29 VAL HA H 29 4.960 4.754 0.206 1
1 272 . 5 1 1 A 29 29 VAL C C 29 174.289 175.635 -1.346 1
1 273 . 5 1 1 A 29 29 VAL CA C 29 58.515 59.998 -1.483 1
1 274 . 5 1 1 A 29 29 VAL CB C 29 34.903 34.074 0.829 1
1 277 . 5 1 1 A 30 30 THR H H 30 8.579 8.674 -0.095 1
1 278 . 5 1 1 A 30 30 THR HA H 30 5.240 4.398 0.842 1
1 283 . 5 1 1 A 30 30 THR C C 30 173.452 172.816 0.636 1
1 284 . 5 1 1 A 30 30 THR CA C 30 61.702 61.133 0.569 1
1 285 . 5 1 1 A 30 30 THR CB C 30 70.283 66.590 3.693 1
1 287 . 5 1 1 A 30 30 THR N N 30 118.278 121.520 -3.242 1
1 288 . 5 1 1 A 31 31 ILE H H 31 8.919 7.432 1.487 1
1 289 . 5 1 1 A 31 31 ILE HA H 31 5.138 4.735 0.403 1
1 299 . 5 1 1 A 31 31 ILE C C 31 173.712 174.734 -1.022 1
1 300 . 5 1 1 A 31 31 ILE CA C 31 59.199 59.638 -0.439 1
1 301 . 5 1 1 A 31 31 ILE CB C 31 41.425 42.846 -1.421 1
1 305 . 5 1 1 A 31 31 ILE N N 31 119.853 121.636 -1.783 1
1 306 . 5 1 1 A 32 32 ARG H H 32 8.715 8.686 0.029 1
1 307 . 5 1 1 A 32 32 ARG C C 32 173.382 175.305 -1.923 1
1 308 . 5 1 1 A 32 32 ARG CA C 32 55.308 54.189 1.119 1
1 309 . 5 1 1 A 32 32 ARG CB C 32 34.457 33.789 0.668 1
1 310 . 5 1 1 A 32 32 ARG N N 32 118.433 125.550 -7.117 1
1 311 . 5 1 1 A 33 33 ALA H H 33 7.873 8.918 -1.045 1
1 312 . 5 1 1 A 33 33 ALA HA H 33 4.510 4.532 -0.022 1
1 316 . 5 1 1 A 33 33 ALA C C 33 175.205 176.501 -1.296 1
1 317 . 5 1 1 A 33 33 ALA CA C 33 51.365 51.289 0.076 1
1 318 . 5 1 1 A 33 33 ALA CB C 33 23.433 20.998 2.435 1
1 319 . 5 1 1 A 33 33 ALA N N 33 123.018 128.495 -5.477 1
1 320 . 5 1 1 A 34 34 TYR H H 34 8.171 8.513 -0.342 1
1 321 . 5 1 1 A 34 34 TYR HA H 34 4.860 4.727 0.133 1
1 324 . 5 1 1 A 34 34 TYR CA C 34 56.646 56.908 -0.262 1
1 325 . 5 1 1 A 34 34 TYR CB C 34 36.668 38.611 -1.943 1
1 326 . 5 1 1 A 34 34 TYR N N 34 118.901 117.772 1.129 1
1 327 . 5 1 1 A 35 35 PRO HA H 35 4.100 4.296 -0.196 1
1 330 . 5 1 1 A 35 35 PRO C C 35 177.893 179.043 -1.150 1
1 331 . 5 1 1 A 35 35 PRO CA C 35 66.575 66.197 0.378 1
1 332 . 5 1 1 A 35 35 PRO CB C 35 32.036 31.750 0.286 1
1 333 . 5 1 1 A 36 36 GLU H H 36 9.144 8.417 0.727 1
1 334 . 5 1 1 A 36 36 GLU HA H 36 4.090 4.056 0.034 1
1 337 . 5 1 1 A 36 36 GLU C C 36 178.276 179.457 -1.181 1
1 338 . 5 1 1 A 36 36 GLU CA C 36 59.597 59.860 -0.263 1
1 339 . 5 1 1 A 36 36 GLU CB C 36 28.790 29.338 -0.548 1
1 340 . 5 1 1 A 36 36 GLU N N 36 115.616 117.459 -1.843 1
1 341 . 5 1 1 A 37 37 ILE H H 37 7.227 8.216 -0.989 1
1 342 . 5 1 1 A 37 37 ILE HA H 37 4.020 3.834 0.186 1
1 352 . 5 1 1 A 37 37 ILE C C 37 178.767 177.525 1.242 1
1 353 . 5 1 1 A 37 37 ILE CA C 37 62.612 64.946 -2.334 1
1 354 . 5 1 1 A 37 37 ILE CB C 37 37.690 37.831 -0.141 1
1 358 . 5 1 1 A 37 37 ILE N N 37 117.970 120.521 -2.551 1
1 359 . 5 1 1 A 38 38 LEU H H 38 7.737 7.780 -0.043 1
1 360 . 5 1 1 A 38 38 LEU HA H 38 3.860 4.308 -0.448 1
1 370 . 5 1 1 A 38 38 LEU C C 38 179.021 178.709 0.312 1
1 371 . 5 1 1 A 38 38 LEU CA C 38 57.346 55.359 1.987 1
1 372 . 5 1 1 A 38 38 LEU CB C 38 41.634 42.174 -0.540 1
1 376 . 5 1 1 A 38 38 LEU N N 38 119.122 120.996 -1.874 1
1 377 . 5 1 1 A 39 39 ASN H H 39 8.347 8.740 -0.393 1
1 378 . 5 1 1 A 39 39 ASN HA H 39 4.440 4.485 -0.045 1
1 380 . 5 1 1 A 39 39 ASN C C 39 175.797 176.831 -1.034 1
1 381 . 5 1 1 A 39 39 ASN CA C 39 55.237 56.189 -0.952 1
1 382 . 5 1 1 A 39 39 ASN CB C 39 38.282 38.998 -0.716 1
1 383 . 5 1 1 A 39 39 ASN N N 39 115.266 118.012 -2.746 1
1 384 . 5 1 1 A 40 40 ASN H H 40 7.279 7.431 -0.152 1
1 385 . 5 1 1 A 40 40 ASN HA H 40 4.842 4.909 -0.067 1
1 388 . 5 1 1 A 40 40 ASN C C 40 174.085 173.912 0.173 1
1 389 . 5 1 1 A 40 40 ASN CA C 40 52.778 53.021 -0.243 1
1 390 . 5 1 1 A 40 40 ASN CB C 40 39.998 39.060 0.938 1
1 391 . 5 1 1 A 40 40 ASN N N 40 115.166 114.957 0.209 1
1 392 . 5 1 1 A 41 41 LEU H H 41 7.151 7.418 -0.267 1
1 393 . 5 1 1 A 41 41 LEU HA H 41 4.420 5.163 -0.743 1
1 403 . 5 1 1 A 41 41 LEU C C 41 176.343 174.791 1.552 1
1 404 . 5 1 1 A 41 41 LEU CA C 41 55.639 53.292 2.347 1
1 405 . 5 1 1 A 41 41 LEU CB C 41 43.186 45.223 -2.037 1
1 409 . 5 1 1 A 41 41 LEU N N 41 122.633 122.135 0.498 1
1 410 . 5 1 1 A 42 42 THR H H 42 8.040 8.654 -0.614 1
1 411 . 5 1 1 A 42 42 THR HA H 42 4.770 4.976 -0.206 1
1 416 . 5 1 1 A 42 42 THR C C 42 175.548 175.447 0.101 1
1 417 . 5 1 1 A 42 42 THR CA C 42 59.354 59.838 -0.484 1
1 418 . 5 1 1 A 42 42 THR CB C 42 71.538 71.033 0.505 1
1 420 . 5 1 1 A 42 42 THR N N 42 117.269 120.290 -3.021 1
1 421 . 5 1 1 A 43 43 LYS H H 43 8.841 9.064 -0.223 1
1 422 . 5 1 1 A 43 43 LYS HA H 43 3.780 3.985 -0.205 1
1 428 . 5 1 1 A 43 43 LYS C C 43 177.649 178.230 -0.581 1
1 429 . 5 1 1 A 43 43 LYS CA C 43 59.948 60.068 -0.120 1
1 430 . 5 1 1 A 43 43 LYS CB C 43 32.318 32.125 0.193 1
1 432 . 5 1 1 A 43 43 LYS N N 43 120.046 128.864 -8.818 1
1 433 . 5 1 1 A 44 44 GLU H H 44 8.565 8.299 0.266 1
1 434 . 5 1 1 A 44 44 GLU HA H 44 4.200 4.077 0.123 1
1 438 . 5 1 1 A 44 44 GLU C C 44 177.413 179.557 -2.144 1
1 439 . 5 1 1 A 44 44 GLU CA C 44 58.761 59.627 -0.866 1
1 440 . 5 1 1 A 44 44 GLU CB C 44 28.613 29.365 -0.752 1
1 441 . 5 1 1 A 44 44 GLU N N 44 117.096 120.101 -3.005 1
1 442 . 5 1 1 A 45 45 GLN H H 45 7.667 8.562 -0.895 1
1 443 . 5 1 1 A 45 45 GLN HA H 45 4.230 4.337 -0.107 1
1 446 . 5 1 1 A 45 45 GLN C C 45 174.680 177.092 -2.412 1
1 447 . 5 1 1 A 45 45 GLN CA C 45 56.637 57.514 -0.877 1
1 448 . 5 1 1 A 45 45 GLN CB C 45 30.099 29.075 1.024 1
1 449 . 5 1 1 A 45 45 GLN N N 45 116.509 117.072 -0.563 1
1 450 . 5 1 1 A 46 46 ILE H H 46 7.595 7.068 0.527 1
1 451 . 5 1 1 A 46 46 ILE HA H 46 4.385 4.035 0.350 1
1 461 . 5 1 1 A 46 46 ILE C C 46 174.202 175.858 -1.656 1
1 462 . 5 1 1 A 46 46 ILE CA C 46 60.775 62.316 -1.541 1
1 463 . 5 1 1 A 46 46 ILE CB C 46 38.470 38.010 0.460 1
1 467 . 5 1 1 A 46 46 ILE N N 46 120.018 121.940 -1.922 1
1 468 . 5 1 1 A 47 47 SER H H 47 7.948 8.649 -0.701 1
1 469 . 5 1 1 A 47 47 SER HA H 47 4.915 5.026 -0.111 1
1 472 . 5 1 1 A 47 47 SER C C 47 172.724 173.870 -1.146 1
1 473 . 5 1 1 A 47 47 SER CA C 47 57.092 57.206 -0.114 1
1 474 . 5 1 1 A 47 47 SER CB C 47 64.837 64.083 0.754 1
1 475 . 5 1 1 A 47 47 SER N N 47 120.935 123.532 -2.597 1
1 476 . 5 1 1 A 48 48 LEU H H 48 8.665 8.982 -0.317 1
1 477 . 5 1 1 A 48 48 LEU HA H 48 5.707 5.334 0.373 1
1 487 . 5 1 1 A 48 48 LEU C C 48 177.942 175.518 2.424 1
1 488 . 5 1 1 A 48 48 LEU CA C 48 53.244 53.834 -0.590 1
1 489 . 5 1 1 A 48 48 LEU CB C 48 44.148 45.460 -1.312 1
1 493 . 5 1 1 A 48 48 LEU N N 48 124.499 128.184 -3.685 1
1 494 . 5 1 1 A 49 49 TRP H H 49 9.205 8.740 0.465 1
1 495 . 5 1 1 A 49 49 TRP HA H 49 5.819 5.121 0.698 1
1 498 . 5 1 1 A 49 49 TRP C C 49 172.596 174.226 -1.630 1
1 499 . 5 1 1 A 49 49 TRP CA C 49 57.390 57.434 -0.044 1
1 500 . 5 1 1 A 49 49 TRP CB C 49 32.341 33.046 -0.705 1
1 501 . 5 1 1 A 49 49 TRP N N 49 122.571 125.430 -2.859 1
1 503 . 5 1 1 A 50 50 ILE H H 50 8.559 8.467 0.092 1
1 504 . 5 1 1 A 50 50 ILE HA H 50 4.570 4.660 -0.090 1
1 514 . 5 1 1 A 50 50 ILE C C 50 174.443 173.943 0.500 1
1 515 . 5 1 1 A 50 50 ILE CA C 50 59.706 59.572 0.134 1
1 516 . 5 1 1 A 50 50 ILE CB C 50 42.605 40.845 1.760 1
1 520 . 5 1 1 A 50 50 ILE N N 50 113.357 126.816 -13.459 1
1 521 . 5 1 1 A 51 51 ASP H H 51 8.497 8.510 -0.013 1
1 522 . 5 1 1 A 51 51 ASP HA H 51 5.226 5.249 -0.023 1
1 525 . 5 1 1 A 51 51 ASP C C 51 177.162 176.039 1.123 1
1 526 . 5 1 1 A 51 51 ASP CA C 51 52.584 52.510 0.074 1
1 527 . 5 1 1 A 51 51 ASP CB C 51 43.343 41.441 1.902 1
1 528 . 5 1 1 A 51 51 ASP N N 51 122.696 125.527 -2.831 1
1 529 . 5 1 1 A 52 52 ALA H H 52 9.021 8.643 0.378 1
1 530 . 5 1 1 A 52 52 ALA HA H 52 4.410 4.699 -0.289 1
1 534 . 5 1 1 A 52 52 ALA C C 52 174.841 177.031 -2.190 1
1 535 . 5 1 1 A 52 52 ALA CA C 52 51.807 51.325 0.482 1
1 536 . 5 1 1 A 52 52 ALA CB C 52 18.117 18.946 -0.829 1
1 537 . 5 1 1 A 52 52 ALA N N 52 131.046 126.991 4.055 1
1 538 . 5 1 1 A 53 53 THR H H 53 8.250 7.706 0.544 1
1 539 . 5 1 1 A 53 53 THR HA H 53 3.880 4.232 -0.352 1
1 544 . 5 1 1 A 53 53 THR C C 53 177.316 175.868 1.448 1
1 545 . 5 1 1 A 53 53 THR CA C 53 66.288 63.466 2.822 1
1 546 . 5 1 1 A 53 53 THR CB C 53 68.896 68.785 0.111 1
1 548 . 5 1 1 A 53 53 THR N N 53 116.426 114.185 2.241 1
1 549 . 5 1 1 A 54 54 GLY H H 54 9.304 8.935 0.369 1
1 550 . 5 1 1 A 54 54 GLY HA2 H 54 3.950 3.842 0.108 1
1 551 . 5 1 1 A 54 54 GLY HA3 H 54 3.770 3.850 -0.080 1
1 552 . 5 1 1 A 54 54 GLY C C 54 174.142 174.484 -0.342 1
1 553 . 5 1 1 A 54 54 GLY CA C 54 45.832 46.279 -0.447 1
1 554 . 5 1 1 A 54 54 GLY N N 54 115.462 115.635 -0.173 1
1 555 . 5 1 1 A 55 55 LYS H H 55 7.588 7.829 -0.241 1
1 556 . 5 1 1 A 55 55 LYS HA H 55 4.067 4.531 -0.464 1
1 565 . 5 1 1 A 55 55 LYS C C 55 174.805 175.860 -1.055 1
1 566 . 5 1 1 A 55 55 LYS CA C 55 54.856 54.497 0.359 1
1 567 . 5 1 1 A 55 55 LYS CB C 55 32.971 34.630 -1.659 1
1 571 . 5 1 1 A 55 55 LYS N N 55 120.231 119.158 1.073 1
1 572 . 5 1 1 A 56 56 ALA H H 56 7.619 8.608 -0.989 1
1 573 . 5 1 1 A 56 56 ALA HA H 56 4.620 4.544 0.076 1
1 577 . 5 1 1 A 56 56 ALA C C 56 177.034 177.819 -0.785 1
1 578 . 5 1 1 A 56 56 ALA CA C 56 49.962 51.277 -1.315 1
1 579 . 5 1 1 A 56 56 ALA CB C 56 21.814 20.997 0.817 1
1 580 . 5 1 1 A 56 56 ALA N N 56 121.951 128.015 -6.064 1
1 581 . 5 1 1 A 57 57 VAL H H 57 7.896 8.464 -0.568 1
1 582 . 5 1 1 A 57 57 VAL HA H 57 3.520 3.806 -0.286 1
1 590 . 5 1 1 A 57 57 VAL C C 57 175.691 176.447 -0.756 1
1 591 . 5 1 1 A 57 57 VAL CA C 57 64.652 64.563 0.089 1
1 592 . 5 1 1 A 57 57 VAL CB C 57 32.644 32.030 0.614 1
1 595 . 5 1 1 A 57 57 VAL N N 57 116.475 119.233 -2.758 1
1 596 . 5 1 1 A 58 58 GLY H H 58 8.429 8.543 -0.114 1
1 597 . 5 1 1 A 58 58 GLY HA2 H 58 4.442 4.064 0.378 1
1 598 . 5 1 1 A 58 58 GLY HA3 H 58 3.739 4.082 -0.343 1
1 599 . 5 1 1 A 58 58 GLY C C 58 170.877 172.200 -1.323 1
1 600 . 5 1 1 A 58 58 GLY CA C 58 43.207 44.194 -0.987 1
1 601 . 5 1 1 A 58 58 GLY N N 58 113.209 111.671 1.538 1
1 602 . 5 1 1 A 59 59 GLU H H 59 8.017 8.228 -0.211 1
1 603 . 5 1 1 A 59 59 GLU HA H 59 4.690 5.270 -0.580 1
1 606 . 5 1 1 A 59 59 GLU C C 59 175.309 173.889 1.420 1
1 607 . 5 1 1 A 59 59 GLU CA C 59 55.370 54.350 1.020 1
1 608 . 5 1 1 A 59 59 GLU CB C 59 32.114 32.662 -0.548 1
1 610 . 5 1 1 A 59 59 GLU N N 59 119.976 119.250 0.726 1
1 611 . 5 1 1 A 60 60 HIS H H 60 9.001 8.820 0.181 1
1 612 . 5 1 1 A 60 60 HIS HA H 60 4.637 4.799 -0.162 1
1 615 . 5 1 1 A 60 60 HIS C C 60 173.585 174.118 -0.533 1
1 616 . 5 1 1 A 60 60 HIS CA C 60 55.364 54.838 0.526 1
1 617 . 5 1 1 A 60 60 HIS CB C 60 33.699 33.312 0.387 1
1 618 . 5 1 1 A 60 60 HIS N N 60 125.266 120.525 4.741 1
1 619 . 5 1 1 A 61 61 THR H H 61 8.712 8.897 -0.185 1
1 620 . 5 1 1 A 61 61 THR HA H 61 5.333 4.485 0.848 1
1 625 . 5 1 1 A 61 61 THR C C 61 175.155 174.634 0.521 1
1 626 . 5 1 1 A 61 61 THR CA C 61 62.600 62.514 0.086 1
1 627 . 5 1 1 A 61 61 THR CB C 61 69.914 69.757 0.157 1
1 628 . 5 1 1 A 61 61 THR N N 61 120.973 117.807 3.166 1
1 629 . 5 1 1 A 62 62 VAL H H 62 9.313 8.923 0.390 1
1 630 . 5 1 1 A 62 62 VAL HA H 62 4.910 4.819 0.091 1
1 638 . 5 1 1 A 62 62 VAL C C 62 173.545 174.271 -0.726 1
1 639 . 5 1 1 A 62 62 VAL CA C 62 58.734 59.097 -0.363 1
1 640 . 5 1 1 A 62 62 VAL CB C 62 36.638 35.327 1.311 1
1 643 . 5 1 1 A 62 62 VAL N N 62 120.591 121.223 -0.632 1
1 644 . 5 1 1 A 63 63 LYS H H 63 7.815 8.492 -0.677 1
1 645 . 5 1 1 A 63 63 LYS HA H 63 4.552 4.689 -0.137 1
1 650 . 5 1 1 A 63 63 LYS C C 63 175.805 176.336 -0.531 1
1 651 . 5 1 1 A 63 63 LYS CA C 63 54.680 55.721 -1.041 1
1 652 . 5 1 1 A 63 63 LYS CB C 63 32.896 33.880 -0.984 1
1 656 . 5 1 1 A 63 63 LYS N N 63 118.768 123.053 -4.285 1
1 657 . 5 1 1 A 64 64 ILE H H 64 8.349 8.761 -0.412 1
1 658 . 5 1 1 A 64 64 ILE HA H 64 3.870 4.228 -0.358 1
1 668 . 5 1 1 A 64 64 ILE C C 64 175.894 175.390 0.504 1
1 669 . 5 1 1 A 64 64 ILE CA C 64 61.324 61.113 0.211 1
1 670 . 5 1 1 A 64 64 ILE CB C 64 39.638 37.366 2.272 1
1 674 . 5 1 1 A 64 64 ILE N N 64 121.703 124.732 -3.029 1
1 675 . 5 1 1 A 65 65 TYR H H 65 8.491 8.506 -0.015 1
1 676 . 5 1 1 A 65 65 TYR CA C 65 57.180 56.136 1.044 1
1 677 . 5 1 1 A 65 65 TYR CB C 65 37.490 36.934 0.556 1
1 678 . 5 1 1 A 65 65 TYR N N 65 125.077 128.356 -3.279 1
1 680 . 5 1 1 A 66 66 TRP C C 66 175.586 175.336 0.250 1
1 681 . 5 1 1 A 66 66 TRP CB C 66 33.607 30.042 3.565 1
1 683 . 5 1 1 A 67 67 GLN H H 67 9.048 8.826 0.222 1
1 684 . 5 1 1 A 67 67 GLN HA H 67 4.751 4.395 0.356 1
1 687 . 5 1 1 A 67 67 GLN C C 67 174.057 173.946 0.111 1
1 688 . 5 1 1 A 67 67 GLN CA C 67 56.338 54.408 1.930 1
1 689 . 5 1 1 A 67 67 GLN CB C 67 32.401 32.578 -0.177 1
1 690 . 5 1 1 A 67 67 GLN N N 67 119.746 120.640 -0.894 1
1 691 . 5 1 1 A 68 68 LEU H H 68 8.898 8.619 0.279 1
1 692 . 5 1 1 A 68 68 LEU HA H 68 5.160 4.866 0.294 1
1 702 . 5 1 1 A 68 68 LEU CA C 68 51.902 51.047 0.855 1
1 703 . 5 1 1 A 68 68 LEU CB C 68 45.191 44.634 0.557 1
1 707 . 5 1 1 A 68 68 LEU N N 68 126.170 122.214 3.956 1
1 708 . 5 1 1 A 69 69 PRO HA H 69 4.511 4.529 -0.018 1
1 715 . 5 1 1 A 69 69 PRO C C 69 175.054 176.067 -1.013 1
1 716 . 5 1 1 A 69 69 PRO CA C 69 62.538 63.696 -1.158 1
1 717 . 5 1 1 A 69 69 PRO CB C 69 32.297 32.580 -0.283 1
1 720 . 5 1 1 A 70 70 ALA H H 70 8.307 7.908 0.399 1
1 721 . 5 1 1 A 70 70 ALA HA H 70 4.180 4.375 -0.195 1
1 725 . 5 1 1 A 70 70 ALA C C 70 178.404 178.221 0.183 1
1 726 . 5 1 1 A 70 70 ALA CA C 70 53.532 52.004 1.528 1
1 727 . 5 1 1 A 70 70 ALA CB C 70 18.613 20.277 -1.664 1
1 728 . 5 1 1 A 70 70 ALA N N 70 123.217 124.515 -1.298 1
1 729 . 5 1 1 A 71 71 GLY H H 71 8.667 8.516 0.151 1
1 730 . 5 1 1 A 71 71 GLY HA2 H 71 4.230 4.163 0.067 1
1 731 . 5 1 1 A 71 71 GLY HA3 H 71 3.650 4.171 -0.521 1
1 732 . 5 1 1 A 71 71 GLY C C 71 173.707 174.329 -0.622 1
1 733 . 5 1 1 A 71 71 GLY CA C 71 45.049 45.952 -0.903 1
1 734 . 5 1 1 A 71 71 GLY N N 71 108.062 108.698 -0.636 1
1 735 . 5 1 1 A 72 72 ILE H H 72 7.448 7.797 -0.349 1
1 736 . 5 1 1 A 72 72 ILE HA H 72 4.569 4.309 0.260 1
1 745 . 5 1 1 A 72 72 ILE C C 72 174.450 175.800 -1.350 1
1 746 . 5 1 1 A 72 72 ILE CA C 72 60.281 60.565 -0.284 1
1 747 . 5 1 1 A 72 72 ILE CB C 72 37.826 40.130 -2.304 1
1 751 . 5 1 1 A 72 72 ILE N N 72 118.695 117.485 1.210 1
1 752 . 5 1 1 A 73 73 GLU H H 73 8.767 8.684 0.083 1
1 755 . 5 1 1 A 73 73 GLU C C 73 175.210 175.624 -0.414 1
1 756 . 5 1 1 A 73 73 GLU CA C 73 54.306 54.992 -0.686 1
1 757 . 5 1 1 A 73 73 GLU CB C 73 32.927 31.778 1.149 1
1 758 . 5 1 1 A 73 73 GLU N N 73 126.361 118.849 7.512 1
1 759 . 5 1 1 A 74 74 MET H H 74 8.618 9.027 -0.409 1
1 760 . 5 1 1 A 74 74 MET HA H 74 4.307 4.535 -0.228 1
1 764 . 5 1 1 A 74 74 MET C C 74 175.176 175.671 -0.495 1
1 765 . 5 1 1 A 74 74 MET CA C 74 53.791 53.903 -0.112 1
1 766 . 5 1 1 A 74 74 MET CB C 74 31.127 31.968 -0.841 1
1 768 . 5 1 1 A 74 74 MET N N 74 124.594 123.561 1.033 1
1 769 . 5 1 1 A 75 75 VAL H H 75 8.679 8.843 -0.164 1
1 770 . 5 1 1 A 75 75 VAL HA H 75 3.922 4.099 -0.177 1
1 778 . 5 1 1 A 75 75 VAL C C 75 176.056 175.905 0.151 1
1 779 . 5 1 1 A 75 75 VAL CA C 75 64.246 63.657 0.589 1
1 780 . 5 1 1 A 75 75 VAL CB C 75 32.577 32.671 -0.094 1
1 783 . 5 1 1 A 75 75 VAL N N 75 128.728 126.492 2.236 1
1 784 . 5 1 1 A 76 76 SER H H 76 7.610 7.884 -0.274 1
1 785 . 5 1 1 A 76 76 SER HA H 76 4.641 4.970 -0.329 1
1 787 . 5 1 1 A 76 76 SER C C 76 171.007 172.303 -1.296 1
1 788 . 5 1 1 A 76 76 SER CA C 76 57.618 57.409 0.209 1
1 789 . 5 1 1 A 76 76 SER CB C 76 65.001 67.989 -2.988 1
1 790 . 5 1 1 A 76 76 SER N N 76 112.117 114.412 -2.295 1
1 791 . 5 1 1 A 77 77 ILE H H 77 8.019 8.606 -0.587 1
1 792 . 5 1 1 A 77 77 ILE HA H 77 4.790 4.510 0.280 1
1 802 . 5 1 1 A 77 77 ILE CA C 77 57.476 58.041 -0.565 1
1 803 . 5 1 1 A 77 77 ILE CB C 77 41.550 40.357 1.193 1
1 806 . 5 1 1 A 77 77 ILE N N 77 124.876 122.104 2.772 1
1 807 . 5 1 1 A 78 78 PRO HA H 78 4.662 4.790 -0.128 1
1 814 . 5 1 1 A 78 78 PRO C C 78 176.687 175.235 1.452 1
1 815 . 5 1 1 A 78 78 PRO CA C 78 62.854 62.131 0.723 1
1 816 . 5 1 1 A 78 78 PRO CB C 78 36.960 32.414 4.546 1
1 819 . 5 1 1 A 79 79 ASP H H 79 7.912 8.552 -0.640 1
1 820 . 5 1 1 A 79 79 ASP HA H 79 4.980 5.163 -0.183 1
1 823 . 5 1 1 A 79 79 ASP C C 79 175.812 174.745 1.067 1
1 824 . 5 1 1 A 79 79 ASP CA C 79 54.046 52.603 1.443 1
1 825 . 5 1 1 A 79 79 ASP CB C 79 41.269 45.337 -4.068 1
1 826 . 5 1 1 A 79 79 ASP N N 79 118.235 119.930 -1.695 1
1 827 . 5 1 1 A 80 80 VAL H H 80 8.641 8.341 0.300 1
1 828 . 5 1 1 A 80 80 VAL HA H 80 4.623 4.848 -0.225 1
1 836 . 5 1 1 A 80 80 VAL C C 80 172.960 173.348 -0.388 1
1 837 . 5 1 1 A 80 80 VAL CA C 80 60.561 59.886 0.675 1
1 838 . 5 1 1 A 80 80 VAL CB C 80 36.112 35.789 0.323 1
1 841 . 5 1 1 A 80 80 VAL N N 80 116.881 119.998 -3.117 1
1 842 . 5 1 1 A 81 81 THR H H 81 8.304 8.516 -0.212 1
1 843 . 5 1 1 A 81 81 THR HA H 81 5.822 5.030 0.792 1
1 848 . 5 1 1 A 81 81 THR C C 81 173.431 173.034 0.397 1
1 849 . 5 1 1 A 81 81 THR CA C 81 61.014 60.856 0.158 1
1 850 . 5 1 1 A 81 81 THR CB C 81 70.663 71.775 -1.112 1
1 852 . 5 1 1 A 81 81 THR N N 81 123.670 121.481 2.189 1
1 853 . 5 1 1 A 82 82 TYR H H 82 9.293 8.370 0.923 1
1 854 . 5 1 1 A 82 82 TYR HA H 82 5.040 5.088 -0.048 1
1 857 . 5 1 1 A 82 82 TYR C C 82 172.210 172.306 -0.096 1
1 858 . 5 1 1 A 82 82 TYR CA C 82 55.640 56.091 -0.451 1
1 859 . 5 1 1 A 82 82 TYR CB C 82 41.461 40.500 0.961 1
1 860 . 5 1 1 A 82 82 TYR N N 82 124.984 121.452 3.532 1
1 861 . 5 1 1 A 83 83 THR H H 83 8.774 8.861 -0.087 1
1 862 . 5 1 1 A 83 83 THR HA H 83 5.150 5.534 -0.384 1
1 864 . 5 1 1 A 83 83 THR C C 83 173.942 173.630 0.312 1
1 865 . 5 1 1 A 83 83 THR CA C 83 61.324 60.956 0.368 1
1 866 . 5 1 1 A 83 83 THR CB C 83 71.117 71.945 -0.828 1
1 867 . 5 1 1 A 83 83 THR N N 83 115.669 114.315 1.354 1
1 868 . 5 1 1 A 84 84 LEU H H 84 8.859 8.564 0.295 1
1 869 . 5 1 1 A 84 84 LEU HA H 84 5.400 5.258 0.142 1
1 879 . 5 1 1 A 84 84 LEU C C 84 176.575 176.053 0.522 1
1 880 . 5 1 1 A 84 84 LEU CA C 84 52.755 53.401 -0.646 1
1 881 . 5 1 1 A 84 84 LEU CB C 84 44.443 45.422 -0.979 1
1 885 . 5 1 1 A 84 84 LEU N N 84 125.146 124.937 0.209 1
1 886 . 5 1 1 A 85 85 LYS H H 85 9.505 8.731 0.774 1
1 887 . 5 1 1 A 85 85 LYS HA H 85 4.793 5.020 -0.227 1
1 893 . 5 1 1 A 85 85 LYS C C 85 173.593 175.249 -1.656 1
1 894 . 5 1 1 A 85 85 LYS CA C 85 54.002 54.433 -0.431 1
1 895 . 5 1 1 A 85 85 LYS CB C 85 36.173 35.547 0.626 1
1 899 . 5 1 1 A 85 85 LYS N N 85 122.212 121.827 0.385 1
1 900 . 5 1 1 A 86 86 ALA H H 86 8.714 8.607 0.107 1
1 901 . 5 1 1 A 86 86 ALA HA H 86 4.489 4.294 0.195 1
1 905 . 5 1 1 A 86 86 ALA C C 86 178.091 177.215 0.876 1
1 906 . 5 1 1 A 86 86 ALA CA C 86 52.548 52.483 0.065 1
1 907 . 5 1 1 A 86 86 ALA CB C 86 18.787 19.260 -0.473 1
1 908 . 5 1 1 A 86 86 ALA N N 86 123.336 124.801 -1.465 1
1 909 . 5 1 1 A 87 87 LYS H H 87 8.242 8.355 -0.113 1
1 910 . 5 1 1 A 87 87 LYS HA H 87 3.963 4.340 -0.377 1
1 917 . 5 1 1 A 87 87 LYS C C 87 176.384 175.421 0.963 1
1 918 . 5 1 1 A 87 87 LYS CA C 87 57.672 57.205 0.467 1
1 919 . 5 1 1 A 87 87 LYS CB C 87 33.298 33.037 0.261 1
1 922 . 5 1 1 A 87 87 LYS N N 87 122.855 122.665 0.190 1
1 923 . 5 1 1 A 88 88 GLU H H 88 8.485 8.513 -0.028 1
1 924 . 5 1 1 A 88 88 GLU HA H 88 4.305 4.600 -0.295 1
1 926 . 5 1 1 A 88 88 GLU C C 88 175.437 174.494 0.943 1
1 927 . 5 1 1 A 88 88 GLU CA C 88 55.863 56.015 -0.152 1
1 928 . 5 1 1 A 88 88 GLU CB C 88 30.831 29.711 1.120 1
1 929 . 5 1 1 A 88 88 GLU N N 88 122.851 126.425 -3.574 1
1 930 . 5 1 1 A 89 89 ASP H H 89 8.522 8.436 0.086 1
1 931 . 5 1 1 A 89 89 ASP HA H 89 4.840 4.875 -0.035 1
1 934 . 5 1 1 A 89 89 ASP CA C 89 52.036 52.742 -0.706 1
1 935 . 5 1 1 A 89 89 ASP CB C 89 41.551 40.114 1.437 1
1 936 . 5 1 1 A 89 89 ASP N N 89 123.882 123.416 0.466 1
1 937 . 5 1 1 A 90 90 PRO HA H 90 4.387 4.467 -0.080 1
1 942 . 5 1 1 A 90 90 PRO C C 90 177.292 176.872 0.420 1
1 943 . 5 1 1 A 90 90 PRO CA C 90 63.694 63.587 0.107 1
1 944 . 5 1 1 A 90 90 PRO CB C 90 32.270 32.430 -0.160 1
1 947 . 5 1 1 A 91 91 LEU H H 91 8.340 8.176 0.164 1
1 948 . 5 1 1 A 91 91 LEU HA H 91 4.230 3.942 0.288 1
1 958 . 5 1 1 A 91 91 LEU C C 91 177.668 176.514 1.154 1
1 959 . 5 1 1 A 91 91 LEU CA C 91 55.381 56.611 -1.230 1
1 960 . 5 1 1 A 91 91 LEU CB C 91 41.733 40.064 1.669 1
1 964 . 5 1 1 A 91 91 LEU N N 91 120.251 116.998 3.253 1
1 965 . 5 1 1 A 92 92 GLU H H 92 7.977 8.492 -0.515 1
1 966 . 5 1 1 A 92 92 GLU C C 92 176.310 176.076 0.234 1
1 967 . 5 1 1 A 92 92 GLU CA C 92 56.745 58.732 -1.987 1
1 968 . 5 1 1 A 92 92 GLU CB C 92 30.187 28.409 1.778 1
1 969 . 5 1 1 A 92 92 GLU N N 92 120.217 110.868 9.349 1
1 970 . 5 1 1 A 93 93 HIS H H 93 8.242 8.259 -0.017 1
1 972 . 5 1 1 A 93 93 HIS C C 93 173.935 174.990 -1.055 1
1 973 . 5 1 1 A 93 93 HIS CA C 93 55.918 56.953 -1.035 1
1 974 . 5 1 1 A 93 93 HIS CB C 93 29.960 29.351 0.609 1
1 975 . 5 1 1 A 93 93 HIS N N 93 119.107 119.108 -0.001 1
1 976 . 5 1 1 A 94 94 HIS H H 94 8.164 7.641 0.523 1
1 977 . 5 1 1 A 94 94 HIS CA C 94 57.235 55.685 1.550 1
1 978 . 5 1 1 A 94 94 HIS CB C 94 30.225 31.731 -1.506 1
1 1 . 6 1 1 A 6 6 ASP C C 6 174.750 176.145 -1.395 1
1 2 . 6 1 1 A 6 6 ASP CA C 6 55.079 57.018 -1.939 1
1 3 . 6 1 1 A 6 6 ASP CB C 6 38.799 40.790 -1.991 1
1 4 . 6 1 1 A 7 7 LEU H H 7 9.403 7.965 1.438 1
1 14 . 6 1 1 A 7 7 LEU CA C 7 53.136 55.668 -2.532 1
1 15 . 6 1 1 A 7 7 LEU CB C 7 41.601 40.849 0.752 1
1 18 . 6 1 1 A 7 7 LEU N N 7 123.103 116.938 6.165 1
1 19 . 6 1 1 A 8 8 PRO HA H 8 4.880 4.528 0.352 1
1 21 . 6 1 1 A 8 8 PRO C C 8 175.617 176.121 -0.504 1
1 22 . 6 1 1 A 8 8 PRO CA C 8 61.559 62.892 -1.333 1
1 23 . 6 1 1 A 8 8 PRO CB C 8 32.973 32.195 0.778 1
1 24 . 6 1 1 A 9 9 ILE H H 9 8.721 8.547 0.174 1
1 25 . 6 1 1 A 9 9 ILE HA H 9 4.156 4.904 -0.748 1
1 35 . 6 1 1 A 9 9 ILE C C 9 175.726 174.870 0.856 1
1 36 . 6 1 1 A 9 9 ILE CA C 9 60.104 59.515 0.589 1
1 37 . 6 1 1 A 9 9 ILE CB C 9 41.286 42.377 -1.091 1
1 40 . 6 1 1 A 9 9 ILE N N 9 118.531 122.453 -3.922 1
1 41 . 6 1 1 A 10 10 VAL H H 10 8.229 8.956 -0.727 1
1 42 . 6 1 1 A 10 10 VAL HA H 10 4.146 4.731 -0.585 1
1 50 . 6 1 1 A 10 10 VAL C C 10 174.221 175.246 -1.025 1
1 51 . 6 1 1 A 10 10 VAL CA C 10 62.271 61.255 1.016 1
1 52 . 6 1 1 A 10 10 VAL CB C 10 33.507 33.658 -0.151 1
1 55 . 6 1 1 A 10 10 VAL N N 10 126.782 126.685 0.097 1
1 56 . 6 1 1 A 11 11 LEU H H 11 8.533 9.051 -0.518 1
1 57 . 6 1 1 A 11 11 LEU HA H 11 4.615 5.016 -0.401 1
1 67 . 6 1 1 A 11 11 LEU C C 11 176.048 176.702 -0.654 1
1 68 . 6 1 1 A 11 11 LEU CA C 11 54.172 53.832 0.340 1
1 69 . 6 1 1 A 11 11 LEU CB C 11 42.865 43.782 -0.917 1
1 72 . 6 1 1 A 11 11 LEU N N 11 128.336 127.255 1.081 1
1 73 . 6 1 1 A 12 12 ARG H H 12 9.076 8.612 0.464 1
1 74 . 6 1 1 A 12 12 ARG HA H 12 4.620 4.568 0.052 1
1 81 . 6 1 1 A 12 12 ARG C C 12 175.198 177.522 -2.324 1
1 82 . 6 1 1 A 12 12 ARG CA C 12 55.178 56.639 -1.461 1
1 83 . 6 1 1 A 12 12 ARG CB C 12 33.105 32.173 0.932 1
1 86 . 6 1 1 A 12 12 ARG N N 12 126.410 121.093 5.317 1
1 87 . 6 1 1 A 13 13 ASN H H 13 8.914 8.398 0.516 1
1 88 . 6 1 1 A 13 13 ASN HA H 13 4.167 4.671 -0.504 1
1 91 . 6 1 1 A 13 13 ASN C C 13 174.200 175.148 -0.948 1
1 92 . 6 1 1 A 13 13 ASN CA C 13 54.189 55.050 -0.861 1
1 93 . 6 1 1 A 13 13 ASN CB C 13 37.053 37.989 -0.936 1
1 94 . 6 1 1 A 13 13 ASN N N 13 115.665 116.597 -0.932 1
1 95 . 6 1 1 A 14 14 LEU H H 14 8.096 8.226 -0.130 1
1 96 . 6 1 1 A 14 14 LEU HA H 14 4.160 4.457 -0.297 1
1 106 . 6 1 1 A 14 14 LEU CA C 14 53.789 51.968 1.821 1
1 107 . 6 1 1 A 14 14 LEU CB C 14 42.801 41.998 0.803 1
1 111 . 6 1 1 A 14 14 LEU N N 14 121.110 121.781 -0.671 1
1 112 . 6 1 1 A 15 15 PRO HA H 15 4.400 4.543 -0.143 1
1 118 . 6 1 1 A 15 15 PRO C C 15 176.937 177.624 -0.687 1
1 119 . 6 1 1 A 15 15 PRO CA C 15 63.627 63.052 0.575 1
1 120 . 6 1 1 A 15 15 PRO CB C 15 32.770 32.675 0.095 1
1 123 . 6 1 1 A 16 16 GLU H H 16 8.472 8.688 -0.216 1
1 124 . 6 1 1 A 16 16 GLU HA H 16 4.083 3.972 0.111 1
1 126 . 6 1 1 A 16 16 GLU C C 16 176.530 176.881 -0.351 1
1 127 . 6 1 1 A 16 16 GLU CA C 16 58.767 58.741 0.026 1
1 128 . 6 1 1 A 16 16 GLU CB C 16 29.951 29.136 0.815 1
1 129 . 6 1 1 A 16 16 GLU N N 16 119.567 121.925 -2.358 1
1 130 . 6 1 1 A 17 17 ASP H H 17 8.654 7.918 0.736 1
1 131 . 6 1 1 A 17 17 ASP HA H 17 4.600 4.709 -0.109 1
1 134 . 6 1 1 A 17 17 ASP C C 17 175.057 174.969 0.088 1
1 135 . 6 1 1 A 17 17 ASP CA C 17 54.212 54.150 0.062 1
1 136 . 6 1 1 A 17 17 ASP CB C 17 40.065 41.541 -1.476 1
1 137 . 6 1 1 A 17 17 ASP N N 17 114.516 118.717 -4.201 1
1 138 . 6 1 1 A 18 18 LEU H H 18 7.814 7.715 0.099 1
1 139 . 6 1 1 A 18 18 LEU HA H 18 5.260 4.947 0.313 1
1 149 . 6 1 1 A 18 18 LEU C C 18 174.434 174.631 -0.197 1
1 150 . 6 1 1 A 18 18 LEU CA C 18 53.620 54.007 -0.387 1
1 151 . 6 1 1 A 18 18 LEU CB C 18 46.147 46.555 -0.408 1
1 155 . 6 1 1 A 18 18 LEU N N 18 120.789 120.584 0.205 1
1 156 . 6 1 1 A 19 19 VAL H H 19 8.931 8.413 0.518 1
1 157 . 6 1 1 A 19 19 VAL HA H 19 4.600 5.012 -0.412 1
1 165 . 6 1 1 A 19 19 VAL C C 19 175.054 173.409 1.645 1
1 166 . 6 1 1 A 19 19 VAL CA C 19 59.348 59.029 0.319 1
1 167 . 6 1 1 A 19 19 VAL CB C 19 36.380 36.322 0.058 1
1 170 . 6 1 1 A 19 19 VAL N N 19 111.130 118.401 -7.271 1
1 171 . 6 1 1 A 20 20 LEU H H 20 8.339 8.727 -0.388 1
1 172 . 6 1 1 A 20 20 LEU HA H 20 4.704 5.293 -0.589 1
1 182 . 6 1 1 A 20 20 LEU C C 20 178.790 177.155 1.635 1
1 183 . 6 1 1 A 20 20 LEU CA C 20 55.095 53.130 1.965 1
1 184 . 6 1 1 A 20 20 LEU CB C 20 42.647 45.815 -3.168 1
1 188 . 6 1 1 A 20 20 LEU N N 20 122.936 124.328 -1.392 1
1 189 . 6 1 1 A 21 21 GLU H H 21 8.851 8.600 0.251 1
1 190 . 6 1 1 A 21 21 GLU HA H 21 3.880 4.299 -0.419 1
1 194 . 6 1 1 A 21 21 GLU C C 21 175.661 175.919 -0.258 1
1 195 . 6 1 1 A 21 21 GLU CA C 21 59.434 56.080 3.354 1
1 196 . 6 1 1 A 21 21 GLU CB C 21 31.125 28.602 2.523 1
1 198 . 6 1 1 A 21 21 GLU N N 21 124.719 122.807 1.912 1
1 199 . 6 1 1 A 22 22 LYS H H 22 7.591 8.613 -1.022 1
1 200 . 6 1 1 A 22 22 LYS HA H 22 4.760 4.399 0.361 1
1 203 . 6 1 1 A 22 22 LYS CA C 22 53.277 56.181 -2.904 1
1 204 . 6 1 1 A 22 22 LYS CB C 22 34.301 33.946 0.355 1
1 205 . 6 1 1 A 22 22 LYS N N 22 115.055 119.697 -4.642 1
1 206 . 6 1 1 A 23 23 PRO HA H 23 4.343 4.400 -0.057 1
1 213 . 6 1 1 A 23 23 PRO C C 23 176.657 177.495 -0.838 1
1 214 . 6 1 1 A 23 23 PRO CA C 23 62.800 64.408 -1.608 1
1 215 . 6 1 1 A 23 23 PRO CB C 23 32.360 31.913 0.447 1
1 218 . 6 1 1 A 24 24 LEU H H 24 8.507 8.337 0.170 1
1 219 . 6 1 1 A 24 24 LEU HA H 24 4.460 3.901 0.559 1
1 225 . 6 1 1 A 24 24 LEU CA C 24 53.311 54.679 -1.368 1
1 226 . 6 1 1 A 24 24 LEU CB C 24 40.716 40.728 -0.012 1
1 228 . 6 1 1 A 24 24 LEU N N 24 121.875 117.844 4.031 1
1 229 . 6 1 1 A 25 25 PRO HA H 25 4.560 4.315 0.245 1
1 232 . 6 1 1 A 25 25 PRO C C 25 176.019 177.934 -1.915 1
1 233 . 6 1 1 A 25 25 PRO CA C 25 62.448 66.170 -3.722 1
1 234 . 6 1 1 A 25 25 PRO CB C 25 32.035 31.436 0.599 1
1 235 . 6 1 1 A 26 26 GLU H H 26 7.828 8.114 -0.286 1
1 236 . 6 1 1 A 26 26 GLU HA H 26 4.790 4.008 0.782 1
1 239 . 6 1 1 A 26 26 GLU C C 26 178.159 175.900 2.259 1
1 240 . 6 1 1 A 26 26 GLU CA C 26 55.700 57.405 -1.705 1
1 241 . 6 1 1 A 26 26 GLU CB C 26 30.291 28.376 1.915 1
1 242 . 6 1 1 A 26 26 GLU N N 26 117.053 117.958 -0.905 1
1 243 . 6 1 1 A 27 27 VAL H H 27 8.863 7.917 0.946 1
1 244 . 6 1 1 A 27 27 VAL HA H 27 4.830 4.230 0.600 1
1 252 . 6 1 1 A 27 27 VAL C C 27 174.041 175.854 -1.813 1
1 253 . 6 1 1 A 27 27 VAL CA C 27 59.788 61.454 -1.666 1
1 254 . 6 1 1 A 27 27 VAL CB C 27 35.937 33.418 2.519 1
1 257 . 6 1 1 A 27 27 VAL N N 27 114.437 120.049 -5.612 1
1 258 . 6 1 1 A 28 28 SER H H 28 7.870 8.625 -0.755 1
1 259 . 6 1 1 A 28 28 SER HA H 28 5.360 4.928 0.432 1
1 261 . 6 1 1 A 28 28 SER CA C 28 55.629 57.804 -2.175 1
1 262 . 6 1 1 A 28 28 SER CB C 28 65.215 64.905 0.310 1
1 263 . 6 1 1 A 28 28 SER N N 28 114.263 122.453 -8.190 1
1 264 . 6 1 1 A 29 29 VAL HA H 29 4.960 4.872 0.088 1
1 272 . 6 1 1 A 29 29 VAL C C 29 174.289 175.067 -0.778 1
1 273 . 6 1 1 A 29 29 VAL CA C 29 58.515 60.749 -2.234 1
1 274 . 6 1 1 A 29 29 VAL CB C 29 34.903 36.244 -1.341 1
1 277 . 6 1 1 A 30 30 THR H H 30 8.579 8.788 -0.209 1
1 278 . 6 1 1 A 30 30 THR HA H 30 5.240 4.716 0.524 1
1 283 . 6 1 1 A 30 30 THR C C 30 173.452 174.067 -0.615 1
1 284 . 6 1 1 A 30 30 THR CA C 30 61.702 61.109 0.593 1
1 285 . 6 1 1 A 30 30 THR CB C 30 70.283 69.708 0.575 1
1 287 . 6 1 1 A 30 30 THR N N 30 118.278 120.835 -2.557 1
1 288 . 6 1 1 A 31 31 ILE H H 31 8.919 7.620 1.299 1
1 289 . 6 1 1 A 31 31 ILE HA H 31 5.138 4.244 0.894 1
1 299 . 6 1 1 A 31 31 ILE C C 31 173.712 174.978 -1.266 1
1 300 . 6 1 1 A 31 31 ILE CA C 31 59.199 60.158 -0.959 1
1 301 . 6 1 1 A 31 31 ILE CB C 31 41.425 39.436 1.989 1
1 305 . 6 1 1 A 31 31 ILE N N 31 119.853 123.008 -3.155 1
1 306 . 6 1 1 A 32 32 ARG H H 32 8.715 8.934 -0.219 1
1 307 . 6 1 1 A 32 32 ARG C C 32 173.382 174.561 -1.179 1
1 308 . 6 1 1 A 32 32 ARG CA C 32 55.308 53.580 1.728 1
1 309 . 6 1 1 A 32 32 ARG CB C 32 34.457 34.349 0.108 1
1 310 . 6 1 1 A 32 32 ARG N N 32 118.433 122.412 -3.979 1
1 311 . 6 1 1 A 33 33 ALA H H 33 7.873 8.444 -0.571 1
1 312 . 6 1 1 A 33 33 ALA HA H 33 4.510 4.745 -0.235 1
1 316 . 6 1 1 A 33 33 ALA C C 33 175.205 175.660 -0.455 1
1 317 . 6 1 1 A 33 33 ALA CA C 33 51.365 51.438 -0.073 1
1 318 . 6 1 1 A 33 33 ALA CB C 33 23.433 23.026 0.407 1
1 319 . 6 1 1 A 33 33 ALA N N 33 123.018 120.461 2.557 1
1 320 . 6 1 1 A 34 34 TYR H H 34 8.171 8.525 -0.354 1
1 321 . 6 1 1 A 34 34 TYR HA H 34 4.860 4.776 0.084 1
1 324 . 6 1 1 A 34 34 TYR CA C 34 56.646 56.999 -0.353 1
1 325 . 6 1 1 A 34 34 TYR CB C 34 36.668 38.949 -2.281 1
1 326 . 6 1 1 A 34 34 TYR N N 34 118.901 117.552 1.349 1
1 327 . 6 1 1 A 35 35 PRO HA H 35 4.100 4.366 -0.266 1
1 330 . 6 1 1 A 35 35 PRO C C 35 177.893 178.918 -1.025 1
1 331 . 6 1 1 A 35 35 PRO CA C 35 66.575 66.126 0.449 1
1 332 . 6 1 1 A 35 35 PRO CB C 35 32.036 31.663 0.373 1
1 333 . 6 1 1 A 36 36 GLU H H 36 9.144 8.428 0.716 1
1 334 . 6 1 1 A 36 36 GLU HA H 36 4.090 4.103 -0.013 1
1 337 . 6 1 1 A 36 36 GLU C C 36 178.276 179.209 -0.933 1
1 338 . 6 1 1 A 36 36 GLU CA C 36 59.597 59.835 -0.238 1
1 339 . 6 1 1 A 36 36 GLU CB C 36 28.790 29.343 -0.553 1
1 340 . 6 1 1 A 36 36 GLU N N 36 115.616 117.422 -1.806 1
1 341 . 6 1 1 A 37 37 ILE H H 37 7.227 8.159 -0.932 1
1 342 . 6 1 1 A 37 37 ILE HA H 37 4.020 3.867 0.153 1
1 352 . 6 1 1 A 37 37 ILE C C 37 178.767 177.483 1.284 1
1 353 . 6 1 1 A 37 37 ILE CA C 37 62.612 64.862 -2.250 1
1 354 . 6 1 1 A 37 37 ILE CB C 37 37.690 37.643 0.047 1
1 358 . 6 1 1 A 37 37 ILE N N 37 117.970 120.526 -2.556 1
1 359 . 6 1 1 A 38 38 LEU H H 38 7.737 7.761 -0.024 1
1 360 . 6 1 1 A 38 38 LEU HA H 38 3.860 4.302 -0.442 1
1 370 . 6 1 1 A 38 38 LEU C C 38 179.021 178.815 0.206 1
1 371 . 6 1 1 A 38 38 LEU CA C 38 57.346 55.375 1.971 1
1 372 . 6 1 1 A 38 38 LEU CB C 38 41.634 42.170 -0.536 1
1 376 . 6 1 1 A 38 38 LEU N N 38 119.122 120.981 -1.859 1
1 377 . 6 1 1 A 39 39 ASN H H 39 8.347 8.664 -0.317 1
1 378 . 6 1 1 A 39 39 ASN HA H 39 4.440 4.498 -0.058 1
1 380 . 6 1 1 A 39 39 ASN C C 39 175.797 176.666 -0.869 1
1 381 . 6 1 1 A 39 39 ASN CA C 39 55.237 56.209 -0.972 1
1 382 . 6 1 1 A 39 39 ASN CB C 39 38.282 38.959 -0.677 1
1 383 . 6 1 1 A 39 39 ASN N N 39 115.266 118.020 -2.754 1
1 384 . 6 1 1 A 40 40 ASN H H 40 7.279 7.396 -0.117 1
1 385 . 6 1 1 A 40 40 ASN HA H 40 4.842 4.901 -0.059 1
1 388 . 6 1 1 A 40 40 ASN C C 40 174.085 173.800 0.285 1
1 389 . 6 1 1 A 40 40 ASN CA C 40 52.778 52.956 -0.178 1
1 390 . 6 1 1 A 40 40 ASN CB C 40 39.998 39.052 0.946 1
1 391 . 6 1 1 A 40 40 ASN N N 40 115.166 114.854 0.312 1
1 392 . 6 1 1 A 41 41 LEU H H 41 7.151 7.364 -0.213 1
1 393 . 6 1 1 A 41 41 LEU HA H 41 4.420 5.288 -0.868 1
1 403 . 6 1 1 A 41 41 LEU C C 41 176.343 174.552 1.791 1
1 404 . 6 1 1 A 41 41 LEU CA C 41 55.639 53.200 2.439 1
1 405 . 6 1 1 A 41 41 LEU CB C 41 43.186 45.417 -2.231 1
1 409 . 6 1 1 A 41 41 LEU N N 41 122.633 121.718 0.915 1
1 410 . 6 1 1 A 42 42 THR H H 42 8.040 8.750 -0.710 1
1 411 . 6 1 1 A 42 42 THR HA H 42 4.770 4.973 -0.203 1
1 416 . 6 1 1 A 42 42 THR C C 42 175.548 175.565 -0.017 1
1 417 . 6 1 1 A 42 42 THR CA C 42 59.354 60.007 -0.653 1
1 418 . 6 1 1 A 42 42 THR CB C 42 71.538 70.911 0.627 1
1 420 . 6 1 1 A 42 42 THR N N 42 117.269 120.306 -3.037 1
1 421 . 6 1 1 A 43 43 LYS H H 43 8.841 8.973 -0.132 1
1 422 . 6 1 1 A 43 43 LYS HA H 43 3.780 3.953 -0.173 1
1 428 . 6 1 1 A 43 43 LYS C C 43 177.649 178.176 -0.527 1
1 429 . 6 1 1 A 43 43 LYS CA C 43 59.948 59.850 0.098 1
1 430 . 6 1 1 A 43 43 LYS CB C 43 32.318 32.017 0.301 1
1 432 . 6 1 1 A 43 43 LYS N N 43 120.046 128.870 -8.824 1
1 433 . 6 1 1 A 44 44 GLU H H 44 8.565 8.301 0.264 1
1 434 . 6 1 1 A 44 44 GLU HA H 44 4.200 4.088 0.112 1
1 438 . 6 1 1 A 44 44 GLU C C 44 177.413 178.779 -1.366 1
1 439 . 6 1 1 A 44 44 GLU CA C 44 58.761 59.428 -0.667 1
1 440 . 6 1 1 A 44 44 GLU CB C 44 28.613 29.327 -0.714 1
1 441 . 6 1 1 A 44 44 GLU N N 44 117.096 120.704 -3.608 1
1 442 . 6 1 1 A 45 45 GLN H H 45 7.667 9.042 -1.375 1
1 443 . 6 1 1 A 45 45 GLN HA H 45 4.230 4.066 0.164 1
1 446 . 6 1 1 A 45 45 GLN C C 45 174.680 176.547 -1.867 1
1 447 . 6 1 1 A 45 45 GLN CA C 45 56.637 58.450 -1.813 1
1 448 . 6 1 1 A 45 45 GLN CB C 45 30.099 28.764 1.335 1
1 449 . 6 1 1 A 45 45 GLN N N 45 116.509 119.011 -2.502 1
1 450 . 6 1 1 A 46 46 ILE H H 46 7.595 7.522 0.073 1
1 451 . 6 1 1 A 46 46 ILE HA H 46 4.385 3.971 0.414 1
1 461 . 6 1 1 A 46 46 ILE C C 46 174.202 175.541 -1.339 1
1 462 . 6 1 1 A 46 46 ILE CA C 46 60.775 62.478 -1.703 1
1 463 . 6 1 1 A 46 46 ILE CB C 46 38.470 38.001 0.469 1
1 467 . 6 1 1 A 46 46 ILE N N 46 120.018 120.400 -0.382 1
1 468 . 6 1 1 A 47 47 SER H H 47 7.948 8.792 -0.844 1
1 469 . 6 1 1 A 47 47 SER HA H 47 4.915 5.181 -0.266 1
1 472 . 6 1 1 A 47 47 SER C C 47 172.724 173.464 -0.740 1
1 473 . 6 1 1 A 47 47 SER CA C 47 57.092 57.617 -0.525 1
1 474 . 6 1 1 A 47 47 SER CB C 47 64.837 64.579 0.258 1
1 475 . 6 1 1 A 47 47 SER N N 47 120.935 125.124 -4.189 1
1 476 . 6 1 1 A 48 48 LEU H H 48 8.665 9.028 -0.363 1
1 477 . 6 1 1 A 48 48 LEU HA H 48 5.707 5.178 0.529 1
1 487 . 6 1 1 A 48 48 LEU C C 48 177.942 175.465 2.477 1
1 488 . 6 1 1 A 48 48 LEU CA C 48 53.244 53.739 -0.495 1
1 489 . 6 1 1 A 48 48 LEU CB C 48 44.148 46.478 -2.330 1
1 493 . 6 1 1 A 48 48 LEU N N 48 124.499 125.142 -0.643 1
1 494 . 6 1 1 A 49 49 TRP H H 49 9.205 8.802 0.403 1
1 495 . 6 1 1 A 49 49 TRP HA H 49 5.819 5.049 0.770 1
1 498 . 6 1 1 A 49 49 TRP C C 49 172.596 174.317 -1.721 1
1 499 . 6 1 1 A 49 49 TRP CA C 49 57.390 57.290 0.100 1
1 500 . 6 1 1 A 49 49 TRP CB C 49 32.341 32.979 -0.638 1
1 501 . 6 1 1 A 49 49 TRP N N 49 122.571 124.843 -2.272 1
1 503 . 6 1 1 A 50 50 ILE H H 50 8.559 8.498 0.061 1
1 504 . 6 1 1 A 50 50 ILE HA H 50 4.570 4.416 0.154 1
1 514 . 6 1 1 A 50 50 ILE C C 50 174.443 173.855 0.588 1
1 515 . 6 1 1 A 50 50 ILE CA C 50 59.706 59.693 0.013 1
1 516 . 6 1 1 A 50 50 ILE CB C 50 42.605 39.709 2.896 1
1 520 . 6 1 1 A 50 50 ILE N N 50 113.357 127.448 -14.091 1
1 521 . 6 1 1 A 51 51 ASP H H 51 8.497 8.044 0.453 1
1 522 . 6 1 1 A 51 51 ASP HA H 51 5.226 5.069 0.157 1
1 525 . 6 1 1 A 51 51 ASP C C 51 177.162 175.398 1.764 1
1 526 . 6 1 1 A 51 51 ASP CA C 51 52.584 52.736 -0.152 1
1 527 . 6 1 1 A 51 51 ASP CB C 51 43.343 40.629 2.714 1
1 528 . 6 1 1 A 51 51 ASP N N 51 122.696 126.484 -3.788 1
1 529 . 6 1 1 A 52 52 ALA H H 52 9.021 8.667 0.354 1
1 530 . 6 1 1 A 52 52 ALA HA H 52 4.410 4.561 -0.151 1
1 534 . 6 1 1 A 52 52 ALA C C 52 174.841 177.334 -2.493 1
1 535 . 6 1 1 A 52 52 ALA CA C 52 51.807 51.377 0.430 1
1 536 . 6 1 1 A 52 52 ALA CB C 52 18.117 18.892 -0.775 1
1 537 . 6 1 1 A 52 52 ALA N N 52 131.046 127.537 3.509 1
1 538 . 6 1 1 A 53 53 THR H H 53 8.250 7.734 0.516 1
1 539 . 6 1 1 A 53 53 THR HA H 53 3.880 4.417 -0.537 1
1 544 . 6 1 1 A 53 53 THR C C 53 177.316 175.119 2.197 1
1 545 . 6 1 1 A 53 53 THR CA C 53 66.288 62.828 3.460 1
1 546 . 6 1 1 A 53 53 THR CB C 53 68.896 68.734 0.162 1
1 548 . 6 1 1 A 53 53 THR N N 53 116.426 112.335 4.091 1
1 549 . 6 1 1 A 54 54 GLY H H 54 9.304 8.982 0.322 1
1 550 . 6 1 1 A 54 54 GLY HA2 H 54 3.950 3.987 -0.037 1
1 551 . 6 1 1 A 54 54 GLY HA3 H 54 3.770 3.993 -0.223 1
1 552 . 6 1 1 A 54 54 GLY C C 54 174.142 174.376 -0.234 1
1 553 . 6 1 1 A 54 54 GLY CA C 54 45.832 45.008 0.824 1
1 554 . 6 1 1 A 54 54 GLY N N 54 115.462 114.537 0.925 1
1 555 . 6 1 1 A 55 55 LYS H H 55 7.588 7.888 -0.300 1
1 556 . 6 1 1 A 55 55 LYS HA H 55 4.067 4.130 -0.063 1
1 565 . 6 1 1 A 55 55 LYS C C 55 174.805 175.329 -0.524 1
1 566 . 6 1 1 A 55 55 LYS CA C 55 54.856 57.032 -2.176 1
1 567 . 6 1 1 A 55 55 LYS CB C 55 32.971 33.555 -0.584 1
1 571 . 6 1 1 A 55 55 LYS N N 55 120.231 121.135 -0.904 1
1 572 . 6 1 1 A 56 56 ALA H H 56 7.619 8.351 -0.732 1
1 573 . 6 1 1 A 56 56 ALA HA H 56 4.620 4.710 -0.090 1
1 577 . 6 1 1 A 56 56 ALA C C 56 177.034 176.298 0.736 1
1 578 . 6 1 1 A 56 56 ALA CA C 56 49.962 51.164 -1.202 1
1 579 . 6 1 1 A 56 56 ALA CB C 56 21.814 22.893 -1.079 1
1 580 . 6 1 1 A 56 56 ALA N N 56 121.951 120.964 0.987 1
1 581 . 6 1 1 A 57 57 VAL H H 57 7.896 8.518 -0.622 1
1 582 . 6 1 1 A 57 57 VAL HA H 57 3.520 3.807 -0.287 1
1 590 . 6 1 1 A 57 57 VAL C C 57 175.691 176.442 -0.751 1
1 591 . 6 1 1 A 57 57 VAL CA C 57 64.652 64.979 -0.327 1
1 592 . 6 1 1 A 57 57 VAL CB C 57 32.644 31.549 1.095 1
1 595 . 6 1 1 A 57 57 VAL N N 57 116.475 119.179 -2.704 1
1 596 . 6 1 1 A 58 58 GLY H H 58 8.429 8.599 -0.170 1
1 597 . 6 1 1 A 58 58 GLY HA2 H 58 4.442 4.151 0.291 1
1 598 . 6 1 1 A 58 58 GLY HA3 H 58 3.739 4.191 -0.452 1
1 599 . 6 1 1 A 58 58 GLY C C 58 170.877 173.146 -2.269 1
1 600 . 6 1 1 A 58 58 GLY CA C 58 43.207 43.841 -0.634 1
1 601 . 6 1 1 A 58 58 GLY N N 58 113.209 112.167 1.042 1
1 602 . 6 1 1 A 59 59 GLU H H 59 8.017 8.238 -0.221 1
1 603 . 6 1 1 A 59 59 GLU HA H 59 4.690 4.771 -0.081 1
1 606 . 6 1 1 A 59 59 GLU C C 59 175.309 175.872 -0.563 1
1 607 . 6 1 1 A 59 59 GLU CA C 59 55.370 56.492 -1.122 1
1 608 . 6 1 1 A 59 59 GLU CB C 59 32.114 29.916 2.198 1
1 610 . 6 1 1 A 59 59 GLU N N 59 119.976 119.852 0.124 1
1 611 . 6 1 1 A 60 60 HIS H H 60 9.001 8.322 0.679 1
1 612 . 6 1 1 A 60 60 HIS HA H 60 4.637 4.848 -0.211 1
1 615 . 6 1 1 A 60 60 HIS C C 60 173.585 174.100 -0.515 1
1 616 . 6 1 1 A 60 60 HIS CA C 60 55.364 54.795 0.569 1
1 617 . 6 1 1 A 60 60 HIS CB C 60 33.699 33.442 0.257 1
1 618 . 6 1 1 A 60 60 HIS N N 60 125.266 120.476 4.790 1
1 619 . 6 1 1 A 61 61 THR H H 61 8.712 8.977 -0.265 1
1 620 . 6 1 1 A 61 61 THR HA H 61 5.333 4.614 0.719 1
1 625 . 6 1 1 A 61 61 THR C C 61 175.155 174.738 0.417 1
1 626 . 6 1 1 A 61 61 THR CA C 61 62.600 62.085 0.515 1
1 627 . 6 1 1 A 61 61 THR CB C 61 69.914 70.053 -0.139 1
1 628 . 6 1 1 A 61 61 THR N N 61 120.973 117.764 3.209 1
1 629 . 6 1 1 A 62 62 VAL H H 62 9.313 8.923 0.390 1
1 630 . 6 1 1 A 62 62 VAL HA H 62 4.910 4.891 0.019 1
1 638 . 6 1 1 A 62 62 VAL C C 62 173.545 174.317 -0.772 1
1 639 . 6 1 1 A 62 62 VAL CA C 62 58.734 59.156 -0.422 1
1 640 . 6 1 1 A 62 62 VAL CB C 62 36.638 35.408 1.230 1
1 643 . 6 1 1 A 62 62 VAL N N 62 120.591 120.688 -0.097 1
1 644 . 6 1 1 A 63 63 LYS H H 63 7.815 8.645 -0.830 1
1 645 . 6 1 1 A 63 63 LYS HA H 63 4.552 4.473 0.079 1
1 650 . 6 1 1 A 63 63 LYS C C 63 175.805 176.665 -0.860 1
1 651 . 6 1 1 A 63 63 LYS CA C 63 54.680 54.871 -0.191 1
1 652 . 6 1 1 A 63 63 LYS CB C 63 32.896 33.921 -1.025 1
1 656 . 6 1 1 A 63 63 LYS N N 63 118.768 123.359 -4.591 1
1 657 . 6 1 1 A 64 64 ILE H H 64 8.349 8.671 -0.322 1
1 658 . 6 1 1 A 64 64 ILE HA H 64 3.870 4.392 -0.522 1
1 668 . 6 1 1 A 64 64 ILE C C 64 175.894 175.667 0.227 1
1 669 . 6 1 1 A 64 64 ILE CA C 64 61.324 60.553 0.771 1
1 670 . 6 1 1 A 64 64 ILE CB C 64 39.638 38.278 1.360 1
1 674 . 6 1 1 A 64 64 ILE N N 64 121.703 122.201 -0.498 1
1 675 . 6 1 1 A 65 65 TYR H H 65 8.491 8.935 -0.444 1
1 676 . 6 1 1 A 65 65 TYR CA C 65 57.180 58.110 -0.930 1
1 677 . 6 1 1 A 65 65 TYR CB C 65 37.490 41.340 -3.850 1
1 678 . 6 1 1 A 65 65 TYR N N 65 125.077 124.575 0.502 1
1 680 . 6 1 1 A 66 66 TRP C C 66 175.586 174.746 0.840 1
1 681 . 6 1 1 A 66 66 TRP CB C 66 33.607 28.341 5.266 1
1 683 . 6 1 1 A 67 67 GLN H H 67 9.048 8.004 1.044 1
1 684 . 6 1 1 A 67 67 GLN HA H 67 4.751 3.901 0.850 1
1 687 . 6 1 1 A 67 67 GLN C C 67 174.057 173.658 0.399 1
1 688 . 6 1 1 A 67 67 GLN CA C 67 56.338 55.482 0.856 1
1 689 . 6 1 1 A 67 67 GLN CB C 67 32.401 29.837 2.564 1
1 690 . 6 1 1 A 67 67 GLN N N 67 119.746 126.097 -6.351 1
1 691 . 6 1 1 A 68 68 LEU H H 68 8.898 7.984 0.914 1
1 692 . 6 1 1 A 68 68 LEU HA H 68 5.160 4.951 0.209 1
1 702 . 6 1 1 A 68 68 LEU CA C 68 51.902 50.934 0.968 1
1 703 . 6 1 1 A 68 68 LEU CB C 68 45.191 44.089 1.102 1
1 707 . 6 1 1 A 68 68 LEU N N 68 126.170 123.113 3.057 1
1 708 . 6 1 1 A 69 69 PRO HA H 69 4.511 4.621 -0.110 1
1 715 . 6 1 1 A 69 69 PRO C C 69 175.054 176.183 -1.129 1
1 716 . 6 1 1 A 69 69 PRO CA C 69 62.538 63.652 -1.114 1
1 717 . 6 1 1 A 69 69 PRO CB C 69 32.297 32.695 -0.398 1
1 720 . 6 1 1 A 70 70 ALA H H 70 8.307 7.817 0.490 1
1 721 . 6 1 1 A 70 70 ALA HA H 70 4.180 4.438 -0.258 1
1 725 . 6 1 1 A 70 70 ALA C C 70 178.404 178.082 0.322 1
1 726 . 6 1 1 A 70 70 ALA CA C 70 53.532 52.033 1.499 1
1 727 . 6 1 1 A 70 70 ALA CB C 70 18.613 20.591 -1.978 1
1 728 . 6 1 1 A 70 70 ALA N N 70 123.217 123.683 -0.466 1
1 729 . 6 1 1 A 71 71 GLY H H 71 8.667 8.478 0.189 1
1 730 . 6 1 1 A 71 71 GLY HA2 H 71 4.230 4.183 0.047 1
1 731 . 6 1 1 A 71 71 GLY HA3 H 71 3.650 4.213 -0.563 1
1 732 . 6 1 1 A 71 71 GLY C C 71 173.707 174.434 -0.727 1
1 733 . 6 1 1 A 71 71 GLY CA C 71 45.049 45.991 -0.942 1
1 734 . 6 1 1 A 71 71 GLY N N 71 108.062 108.283 -0.221 1
1 735 . 6 1 1 A 72 72 ILE H H 72 7.448 7.800 -0.352 1
1 736 . 6 1 1 A 72 72 ILE HA H 72 4.569 4.352 0.217 1
1 745 . 6 1 1 A 72 72 ILE C C 72 174.450 174.996 -0.546 1
1 746 . 6 1 1 A 72 72 ILE CA C 72 60.281 60.741 -0.460 1
1 747 . 6 1 1 A 72 72 ILE CB C 72 37.826 40.195 -2.369 1
1 751 . 6 1 1 A 72 72 ILE N N 72 118.695 117.813 0.882 1
1 752 . 6 1 1 A 73 73 GLU H H 73 8.767 8.649 0.118 1
1 755 . 6 1 1 A 73 73 GLU C C 73 175.210 175.650 -0.440 1
1 756 . 6 1 1 A 73 73 GLU CA C 73 54.306 54.740 -0.434 1
1 757 . 6 1 1 A 73 73 GLU CB C 73 32.927 32.113 0.814 1
1 758 . 6 1 1 A 73 73 GLU N N 73 126.361 121.057 5.304 1
1 759 . 6 1 1 A 74 74 MET H H 74 8.618 8.979 -0.361 1
1 760 . 6 1 1 A 74 74 MET HA H 74 4.307 4.459 -0.152 1
1 764 . 6 1 1 A 74 74 MET C C 74 175.176 175.674 -0.498 1
1 765 . 6 1 1 A 74 74 MET CA C 74 53.791 54.349 -0.558 1
1 766 . 6 1 1 A 74 74 MET CB C 74 31.127 31.705 -0.578 1
1 768 . 6 1 1 A 74 74 MET N N 74 124.594 124.136 0.458 1
1 769 . 6 1 1 A 75 75 VAL H H 75 8.679 8.735 -0.056 1
1 770 . 6 1 1 A 75 75 VAL HA H 75 3.922 3.977 -0.055 1
1 778 . 6 1 1 A 75 75 VAL C C 75 176.056 175.875 0.181 1
1 779 . 6 1 1 A 75 75 VAL CA C 75 64.246 63.304 0.942 1
1 780 . 6 1 1 A 75 75 VAL CB C 75 32.577 32.492 0.085 1
1 783 . 6 1 1 A 75 75 VAL N N 75 128.728 126.836 1.892 1
1 784 . 6 1 1 A 76 76 SER H H 76 7.610 7.870 -0.260 1
1 785 . 6 1 1 A 76 76 SER HA H 76 4.641 4.752 -0.111 1
1 787 . 6 1 1 A 76 76 SER C C 76 171.007 171.758 -0.751 1
1 788 . 6 1 1 A 76 76 SER CA C 76 57.618 56.894 0.724 1
1 789 . 6 1 1 A 76 76 SER CB C 76 65.001 65.647 -0.646 1
1 790 . 6 1 1 A 76 76 SER N N 76 112.117 112.240 -0.123 1
1 791 . 6 1 1 A 77 77 ILE H H 77 8.019 8.980 -0.961 1
1 792 . 6 1 1 A 77 77 ILE HA H 77 4.790 4.819 -0.029 1
1 802 . 6 1 1 A 77 77 ILE CA C 77 57.476 57.811 -0.335 1
1 803 . 6 1 1 A 77 77 ILE CB C 77 41.550 39.715 1.835 1
1 806 . 6 1 1 A 77 77 ILE N N 77 124.876 124.098 0.778 1
1 807 . 6 1 1 A 78 78 PRO HA H 78 4.662 4.744 -0.082 1
1 814 . 6 1 1 A 78 78 PRO C C 78 176.687 176.131 0.556 1
1 815 . 6 1 1 A 78 78 PRO CA C 78 62.854 62.332 0.522 1
1 816 . 6 1 1 A 78 78 PRO CB C 78 36.960 32.481 4.479 1
1 819 . 6 1 1 A 79 79 ASP H H 79 7.912 8.484 -0.572 1
1 820 . 6 1 1 A 79 79 ASP HA H 79 4.980 5.583 -0.603 1
1 823 . 6 1 1 A 79 79 ASP C C 79 175.812 174.177 1.635 1
1 824 . 6 1 1 A 79 79 ASP CA C 79 54.046 52.146 1.900 1
1 825 . 6 1 1 A 79 79 ASP CB C 79 41.269 45.420 -4.151 1
1 826 . 6 1 1 A 79 79 ASP N N 79 118.235 117.771 0.464 1
1 827 . 6 1 1 A 80 80 VAL H H 80 8.641 8.295 0.346 1
1 828 . 6 1 1 A 80 80 VAL HA H 80 4.623 4.840 -0.217 1
1 836 . 6 1 1 A 80 80 VAL C C 80 172.960 173.395 -0.435 1
1 837 . 6 1 1 A 80 80 VAL CA C 80 60.561 59.792 0.769 1
1 838 . 6 1 1 A 80 80 VAL CB C 80 36.112 35.842 0.270 1
1 841 . 6 1 1 A 80 80 VAL N N 80 116.881 119.585 -2.704 1
1 842 . 6 1 1 A 81 81 THR H H 81 8.304 8.388 -0.084 1
1 843 . 6 1 1 A 81 81 THR HA H 81 5.822 5.385 0.437 1
1 848 . 6 1 1 A 81 81 THR C C 81 173.431 172.487 0.944 1
1 849 . 6 1 1 A 81 81 THR CA C 81 61.014 60.830 0.184 1
1 850 . 6 1 1 A 81 81 THR CB C 81 70.663 71.856 -1.193 1
1 852 . 6 1 1 A 81 81 THR N N 81 123.670 121.238 2.432 1
1 853 . 6 1 1 A 82 82 TYR H H 82 9.293 8.954 0.339 1
1 854 . 6 1 1 A 82 82 TYR HA H 82 5.040 5.078 -0.038 1
1 857 . 6 1 1 A 82 82 TYR C C 82 172.210 174.220 -2.010 1
1 858 . 6 1 1 A 82 82 TYR CA C 82 55.640 56.387 -0.747 1
1 859 . 6 1 1 A 82 82 TYR CB C 82 41.461 43.555 -2.094 1
1 860 . 6 1 1 A 82 82 TYR N N 82 124.984 123.042 1.942 1
1 861 . 6 1 1 A 83 83 THR H H 83 8.774 8.341 0.433 1
1 862 . 6 1 1 A 83 83 THR HA H 83 5.150 5.033 0.117 1
1 864 . 6 1 1 A 83 83 THR C C 83 173.942 173.671 0.271 1
1 865 . 6 1 1 A 83 83 THR CA C 83 61.324 61.556 -0.232 1
1 866 . 6 1 1 A 83 83 THR CB C 83 71.117 70.725 0.392 1
1 867 . 6 1 1 A 83 83 THR N N 83 115.669 116.066 -0.397 1
1 868 . 6 1 1 A 84 84 LEU H H 84 8.859 8.901 -0.042 1
1 869 . 6 1 1 A 84 84 LEU HA H 84 5.400 5.267 0.133 1
1 879 . 6 1 1 A 84 84 LEU C C 84 176.575 175.818 0.757 1
1 880 . 6 1 1 A 84 84 LEU CA C 84 52.755 53.144 -0.389 1
1 881 . 6 1 1 A 84 84 LEU CB C 84 44.443 44.381 0.062 1
1 885 . 6 1 1 A 84 84 LEU N N 84 125.146 124.896 0.250 1
1 886 . 6 1 1 A 85 85 LYS H H 85 9.505 8.622 0.883 1
1 887 . 6 1 1 A 85 85 LYS HA H 85 4.793 4.965 -0.172 1
1 893 . 6 1 1 A 85 85 LYS C C 85 173.593 175.466 -1.873 1
1 894 . 6 1 1 A 85 85 LYS CA C 85 54.002 54.686 -0.684 1
1 895 . 6 1 1 A 85 85 LYS CB C 85 36.173 35.205 0.968 1
1 899 . 6 1 1 A 85 85 LYS N N 85 122.212 122.218 -0.006 1
1 900 . 6 1 1 A 86 86 ALA H H 86 8.714 8.551 0.163 1
1 901 . 6 1 1 A 86 86 ALA HA H 86 4.489 4.295 0.194 1
1 905 . 6 1 1 A 86 86 ALA C C 86 178.091 177.219 0.872 1
1 906 . 6 1 1 A 86 86 ALA CA C 86 52.548 52.563 -0.015 1
1 907 . 6 1 1 A 86 86 ALA CB C 86 18.787 19.238 -0.451 1
1 908 . 6 1 1 A 86 86 ALA N N 86 123.336 125.500 -2.164 1
1 909 . 6 1 1 A 87 87 LYS H H 87 8.242 8.696 -0.454 1
1 910 . 6 1 1 A 87 87 LYS HA H 87 3.963 4.330 -0.367 1
1 917 . 6 1 1 A 87 87 LYS C C 87 176.384 175.623 0.761 1
1 918 . 6 1 1 A 87 87 LYS CA C 87 57.672 57.139 0.533 1
1 919 . 6 1 1 A 87 87 LYS CB C 87 33.298 33.158 0.140 1
1 922 . 6 1 1 A 87 87 LYS N N 87 122.855 122.182 0.673 1
1 923 . 6 1 1 A 88 88 GLU H H 88 8.485 8.755 -0.270 1
1 924 . 6 1 1 A 88 88 GLU HA H 88 4.305 4.540 -0.235 1
1 926 . 6 1 1 A 88 88 GLU C C 88 175.437 175.156 0.281 1
1 927 . 6 1 1 A 88 88 GLU CA C 88 55.863 57.634 -1.771 1
1 928 . 6 1 1 A 88 88 GLU CB C 88 30.831 32.741 -1.910 1
1 929 . 6 1 1 A 88 88 GLU N N 88 122.851 125.753 -2.902 1
1 930 . 6 1 1 A 89 89 ASP H H 89 8.522 7.597 0.925 1
1 931 . 6 1 1 A 89 89 ASP HA H 89 4.840 4.727 0.113 1
1 934 . 6 1 1 A 89 89 ASP CA C 89 52.036 51.671 0.365 1
1 935 . 6 1 1 A 89 89 ASP CB C 89 41.551 41.115 0.436 1
1 936 . 6 1 1 A 89 89 ASP N N 89 123.882 116.968 6.914 1
1 937 . 6 1 1 A 90 90 PRO HA H 90 4.387 4.363 0.024 1
1 942 . 6 1 1 A 90 90 PRO C C 90 177.292 177.765 -0.473 1
1 943 . 6 1 1 A 90 90 PRO CA C 90 63.694 64.798 -1.104 1
1 944 . 6 1 1 A 90 90 PRO CB C 90 32.270 32.190 0.080 1
1 947 . 6 1 1 A 91 91 LEU H H 91 8.340 8.256 0.084 1
1 948 . 6 1 1 A 91 91 LEU HA H 91 4.230 4.390 -0.160 1
1 958 . 6 1 1 A 91 91 LEU C C 91 177.668 176.622 1.046 1
1 959 . 6 1 1 A 91 91 LEU CA C 91 55.381 55.700 -0.319 1
1 960 . 6 1 1 A 91 91 LEU CB C 91 41.733 43.042 -1.309 1
1 964 . 6 1 1 A 91 91 LEU N N 91 120.251 116.334 3.917 1
1 965 . 6 1 1 A 92 92 GLU H H 92 7.977 7.575 0.402 1
1 966 . 6 1 1 A 92 92 GLU C C 92 176.310 174.060 2.250 1
1 967 . 6 1 1 A 92 92 GLU CA C 92 56.745 55.423 1.322 1
1 968 . 6 1 1 A 92 92 GLU CB C 92 30.187 33.471 -3.284 1
1 969 . 6 1 1 A 92 92 GLU N N 92 120.217 113.693 6.524 1
1 970 . 6 1 1 A 93 93 HIS H H 93 8.242 8.261 -0.019 1
1 972 . 6 1 1 A 93 93 HIS C C 93 173.935 174.262 -0.327 1
1 973 . 6 1 1 A 93 93 HIS CA C 93 55.918 56.790 -0.872 1
1 974 . 6 1 1 A 93 93 HIS CB C 93 29.960 30.366 -0.406 1
1 975 . 6 1 1 A 93 93 HIS N N 93 119.107 121.803 -2.696 1
1 976 . 6 1 1 A 94 94 HIS H H 94 8.164 8.874 -0.710 1
1 977 . 6 1 1 A 94 94 HIS CA C 94 57.235 54.360 2.875 1
1 978 . 6 1 1 A 94 94 HIS CB C 94 30.225 29.834 0.391 1
1 1 . 7 1 1 A 6 6 ASP C C 6 174.750 175.780 -1.030 1
1 2 . 7 1 1 A 6 6 ASP CA C 6 55.079 56.480 -1.401 1
1 3 . 7 1 1 A 6 6 ASP CB C 6 38.799 41.680 -2.881 1
1 4 . 7 1 1 A 7 7 LEU H H 7 9.403 7.992 1.411 1
1 14 . 7 1 1 A 7 7 LEU CA C 7 53.136 51.376 1.760 1
1 15 . 7 1 1 A 7 7 LEU CB C 7 41.601 42.836 -1.235 1
1 18 . 7 1 1 A 7 7 LEU N N 7 123.103 118.505 4.598 1
1 19 . 7 1 1 A 8 8 PRO HA H 8 4.880 4.817 0.063 1
1 21 . 7 1 1 A 8 8 PRO C C 8 175.617 175.939 -0.322 1
1 22 . 7 1 1 A 8 8 PRO CA C 8 61.559 62.261 -0.702 1
1 23 . 7 1 1 A 8 8 PRO CB C 8 32.973 30.203 2.770 1
1 24 . 7 1 1 A 9 9 ILE H H 9 8.721 8.005 0.716 1
1 25 . 7 1 1 A 9 9 ILE HA H 9 4.156 4.457 -0.301 1
1 35 . 7 1 1 A 9 9 ILE C C 9 175.726 175.589 0.137 1
1 36 . 7 1 1 A 9 9 ILE CA C 9 60.104 61.173 -1.069 1
1 37 . 7 1 1 A 9 9 ILE CB C 9 41.286 38.277 3.009 1
1 40 . 7 1 1 A 9 9 ILE N N 9 118.531 123.975 -5.444 1
1 41 . 7 1 1 A 10 10 VAL H H 10 8.229 8.800 -0.571 1
1 42 . 7 1 1 A 10 10 VAL HA H 10 4.146 4.650 -0.504 1
1 50 . 7 1 1 A 10 10 VAL C C 10 174.221 175.083 -0.862 1
1 51 . 7 1 1 A 10 10 VAL CA C 10 62.271 61.252 1.019 1
1 52 . 7 1 1 A 10 10 VAL CB C 10 33.507 33.529 -0.022 1
1 55 . 7 1 1 A 10 10 VAL N N 10 126.782 127.321 -0.539 1
1 56 . 7 1 1 A 11 11 LEU H H 11 8.533 9.123 -0.590 1
1 57 . 7 1 1 A 11 11 LEU HA H 11 4.615 5.282 -0.667 1
1 67 . 7 1 1 A 11 11 LEU C C 11 176.048 176.250 -0.202 1
1 68 . 7 1 1 A 11 11 LEU CA C 11 54.172 53.636 0.536 1
1 69 . 7 1 1 A 11 11 LEU CB C 11 42.865 45.725 -2.860 1
1 72 . 7 1 1 A 11 11 LEU N N 11 128.336 127.433 0.903 1
1 73 . 7 1 1 A 12 12 ARG H H 12 9.076 8.797 0.279 1
1 74 . 7 1 1 A 12 12 ARG HA H 12 4.620 4.575 0.045 1
1 81 . 7 1 1 A 12 12 ARG C C 12 175.198 176.814 -1.616 1
1 82 . 7 1 1 A 12 12 ARG CA C 12 55.178 56.647 -1.469 1
1 83 . 7 1 1 A 12 12 ARG CB C 12 33.105 32.330 0.775 1
1 86 . 7 1 1 A 12 12 ARG N N 12 126.410 119.730 6.680 1
1 87 . 7 1 1 A 13 13 ASN H H 13 8.914 8.808 0.106 1
1 88 . 7 1 1 A 13 13 ASN HA H 13 4.167 4.730 -0.563 1
1 91 . 7 1 1 A 13 13 ASN C C 13 174.200 175.083 -0.883 1
1 92 . 7 1 1 A 13 13 ASN CA C 13 54.189 54.634 -0.445 1
1 93 . 7 1 1 A 13 13 ASN CB C 13 37.053 38.042 -0.989 1
1 94 . 7 1 1 A 13 13 ASN N N 13 115.665 116.832 -1.167 1
1 95 . 7 1 1 A 14 14 LEU H H 14 8.096 8.250 -0.154 1
1 96 . 7 1 1 A 14 14 LEU HA H 14 4.160 4.547 -0.387 1
1 106 . 7 1 1 A 14 14 LEU CA C 14 53.789 51.338 2.451 1
1 107 . 7 1 1 A 14 14 LEU CB C 14 42.801 42.145 0.656 1
1 111 . 7 1 1 A 14 14 LEU N N 14 121.110 121.726 -0.616 1
1 112 . 7 1 1 A 15 15 PRO HA H 15 4.400 4.540 -0.140 1
1 118 . 7 1 1 A 15 15 PRO C C 15 176.937 177.566 -0.629 1
1 119 . 7 1 1 A 15 15 PRO CA C 15 63.627 63.164 0.463 1
1 120 . 7 1 1 A 15 15 PRO CB C 15 32.770 32.734 0.036 1
1 123 . 7 1 1 A 16 16 GLU H H 16 8.472 8.668 -0.196 1
1 124 . 7 1 1 A 16 16 GLU HA H 16 4.083 4.033 0.050 1
1 126 . 7 1 1 A 16 16 GLU C C 16 176.530 176.931 -0.401 1
1 127 . 7 1 1 A 16 16 GLU CA C 16 58.767 58.935 -0.168 1
1 128 . 7 1 1 A 16 16 GLU CB C 16 29.951 29.229 0.722 1
1 129 . 7 1 1 A 16 16 GLU N N 16 119.567 122.146 -2.579 1
1 130 . 7 1 1 A 17 17 ASP H H 17 8.654 7.894 0.760 1
1 131 . 7 1 1 A 17 17 ASP HA H 17 4.600 4.703 -0.103 1
1 134 . 7 1 1 A 17 17 ASP C C 17 175.057 174.869 0.188 1
1 135 . 7 1 1 A 17 17 ASP CA C 17 54.212 54.003 0.209 1
1 136 . 7 1 1 A 17 17 ASP CB C 17 40.065 41.737 -1.672 1
1 137 . 7 1 1 A 17 17 ASP N N 17 114.516 118.535 -4.019 1
1 138 . 7 1 1 A 18 18 LEU H H 18 7.814 7.875 -0.061 1
1 139 . 7 1 1 A 18 18 LEU HA H 18 5.260 4.945 0.315 1
1 149 . 7 1 1 A 18 18 LEU C C 18 174.434 174.734 -0.300 1
1 150 . 7 1 1 A 18 18 LEU CA C 18 53.620 53.947 -0.327 1
1 151 . 7 1 1 A 18 18 LEU CB C 18 46.147 46.627 -0.480 1
1 155 . 7 1 1 A 18 18 LEU N N 18 120.789 120.755 0.034 1
1 156 . 7 1 1 A 19 19 VAL H H 19 8.931 8.476 0.455 1
1 157 . 7 1 1 A 19 19 VAL HA H 19 4.600 4.936 -0.336 1
1 165 . 7 1 1 A 19 19 VAL C C 19 175.054 173.969 1.085 1
1 166 . 7 1 1 A 19 19 VAL CA C 19 59.348 59.067 0.281 1
1 167 . 7 1 1 A 19 19 VAL CB C 19 36.380 36.149 0.231 1
1 170 . 7 1 1 A 19 19 VAL N N 19 111.130 118.726 -7.596 1
1 171 . 7 1 1 A 20 20 LEU H H 20 8.339 8.669 -0.330 1
1 172 . 7 1 1 A 20 20 LEU HA H 20 4.704 4.389 0.315 1
1 182 . 7 1 1 A 20 20 LEU C C 20 178.790 177.678 1.112 1
1 183 . 7 1 1 A 20 20 LEU CA C 20 55.095 54.750 0.345 1
1 184 . 7 1 1 A 20 20 LEU CB C 20 42.647 43.635 -0.988 1
1 188 . 7 1 1 A 20 20 LEU N N 20 122.936 124.063 -1.127 1
1 189 . 7 1 1 A 21 21 GLU H H 21 8.851 8.733 0.118 1
1 190 . 7 1 1 A 21 21 GLU HA H 21 3.880 4.212 -0.332 1
1 194 . 7 1 1 A 21 21 GLU C C 21 175.661 176.689 -1.028 1
1 195 . 7 1 1 A 21 21 GLU CA C 21 59.434 58.605 0.829 1
1 196 . 7 1 1 A 21 21 GLU CB C 21 31.125 29.984 1.141 1
1 198 . 7 1 1 A 21 21 GLU N N 21 124.719 122.775 1.944 1
1 199 . 7 1 1 A 22 22 LYS H H 22 7.591 7.565 0.026 1
1 200 . 7 1 1 A 22 22 LYS HA H 22 4.760 4.764 -0.004 1
1 203 . 7 1 1 A 22 22 LYS CA C 22 53.277 53.888 -0.611 1
1 204 . 7 1 1 A 22 22 LYS CB C 22 34.301 35.140 -0.839 1
1 205 . 7 1 1 A 22 22 LYS N N 22 115.055 116.554 -1.499 1
1 206 . 7 1 1 A 23 23 PRO HA H 23 4.343 4.478 -0.135 1
1 213 . 7 1 1 A 23 23 PRO C C 23 176.657 177.470 -0.813 1
1 214 . 7 1 1 A 23 23 PRO CA C 23 62.800 63.023 -0.223 1
1 215 . 7 1 1 A 23 23 PRO CB C 23 32.360 32.513 -0.153 1
1 218 . 7 1 1 A 24 24 LEU H H 24 8.507 8.820 -0.313 1
1 219 . 7 1 1 A 24 24 LEU HA H 24 4.460 4.144 0.316 1
1 225 . 7 1 1 A 24 24 LEU CA C 24 53.311 57.743 -4.432 1
1 226 . 7 1 1 A 24 24 LEU CB C 24 40.716 42.048 -1.332 1
1 228 . 7 1 1 A 24 24 LEU N N 24 121.875 124.052 -2.177 1
1 229 . 7 1 1 A 25 25 PRO HA H 25 4.560 4.467 0.093 1
1 232 . 7 1 1 A 25 25 PRO C C 25 176.019 177.156 -1.137 1
1 233 . 7 1 1 A 25 25 PRO CA C 25 62.448 64.342 -1.894 1
1 234 . 7 1 1 A 25 25 PRO CB C 25 32.035 31.738 0.297 1
1 235 . 7 1 1 A 26 26 GLU H H 26 7.828 12.996 -5.168 1
1 236 . 7 1 1 A 26 26 GLU HA H 26 4.790 4.645 0.145 1
1 239 . 7 1 1 A 26 26 GLU C C 26 178.159 175.385 2.774 1
1 240 . 7 1 1 A 26 26 GLU CA C 26 55.700 55.596 0.104 1
1 241 . 7 1 1 A 26 26 GLU CB C 26 30.291 30.937 -0.646 1
1 242 . 7 1 1 A 26 26 GLU N N 26 117.053 117.698 -0.645 1
1 243 . 7 1 1 A 27 27 VAL H H 27 8.863 7.604 1.259 1
1 244 . 7 1 1 A 27 27 VAL HA H 27 4.830 4.365 0.465 1
1 252 . 7 1 1 A 27 27 VAL C C 27 174.041 175.261 -1.220 1
1 253 . 7 1 1 A 27 27 VAL CA C 27 59.788 60.756 -0.968 1
1 254 . 7 1 1 A 27 27 VAL CB C 27 35.937 33.681 2.256 1
1 257 . 7 1 1 A 27 27 VAL N N 27 114.437 122.445 -8.008 1
1 258 . 7 1 1 A 28 28 SER H H 28 7.870 8.595 -0.725 1
1 259 . 7 1 1 A 28 28 SER HA H 28 5.360 5.040 0.320 1
1 261 . 7 1 1 A 28 28 SER CA C 28 55.629 57.252 -1.623 1
1 262 . 7 1 1 A 28 28 SER CB C 28 65.215 64.988 0.227 1
1 263 . 7 1 1 A 28 28 SER N N 28 114.263 120.866 -6.603 1
1 264 . 7 1 1 A 29 29 VAL HA H 29 4.960 4.866 0.094 1
1 272 . 7 1 1 A 29 29 VAL C C 29 174.289 175.030 -0.741 1
1 273 . 7 1 1 A 29 29 VAL CA C 29 58.515 59.590 -1.075 1
1 274 . 7 1 1 A 29 29 VAL CB C 29 34.903 36.020 -1.117 1
1 277 . 7 1 1 A 30 30 THR H H 30 8.579 8.757 -0.178 1
1 278 . 7 1 1 A 30 30 THR HA H 30 5.240 4.712 0.528 1
1 283 . 7 1 1 A 30 30 THR C C 30 173.452 173.890 -0.438 1
1 284 . 7 1 1 A 30 30 THR CA C 30 61.702 60.954 0.748 1
1 285 . 7 1 1 A 30 30 THR CB C 30 70.283 69.397 0.886 1
1 287 . 7 1 1 A 30 30 THR N N 30 118.278 118.282 -0.004 1
1 288 . 7 1 1 A 31 31 ILE H H 31 8.919 7.553 1.366 1
1 289 . 7 1 1 A 31 31 ILE HA H 31 5.138 4.224 0.914 1
1 299 . 7 1 1 A 31 31 ILE C C 31 173.712 175.300 -1.588 1
1 300 . 7 1 1 A 31 31 ILE CA C 31 59.199 60.080 -0.881 1
1 301 . 7 1 1 A 31 31 ILE CB C 31 41.425 39.532 1.893 1
1 305 . 7 1 1 A 31 31 ILE N N 31 119.853 123.143 -3.290 1
1 306 . 7 1 1 A 32 32 ARG H H 32 8.715 8.680 0.035 1
1 307 . 7 1 1 A 32 32 ARG C C 32 173.382 174.614 -1.232 1
1 308 . 7 1 1 A 32 32 ARG CA C 32 55.308 54.114 1.194 1
1 309 . 7 1 1 A 32 32 ARG CB C 32 34.457 34.298 0.159 1
1 310 . 7 1 1 A 32 32 ARG N N 32 118.433 125.249 -6.816 1
1 311 . 7 1 1 A 33 33 ALA H H 33 7.873 8.396 -0.523 1
1 312 . 7 1 1 A 33 33 ALA HA H 33 4.510 4.867 -0.357 1
1 316 . 7 1 1 A 33 33 ALA C C 33 175.205 175.666 -0.461 1
1 317 . 7 1 1 A 33 33 ALA CA C 33 51.365 51.572 -0.207 1
1 318 . 7 1 1 A 33 33 ALA CB C 33 23.433 23.146 0.287 1
1 319 . 7 1 1 A 33 33 ALA N N 33 123.018 121.067 1.951 1
1 320 . 7 1 1 A 34 34 TYR H H 34 8.171 8.611 -0.440 1
1 321 . 7 1 1 A 34 34 TYR HA H 34 4.860 4.769 0.091 1
1 324 . 7 1 1 A 34 34 TYR CA C 34 56.646 56.774 -0.128 1
1 325 . 7 1 1 A 34 34 TYR CB C 34 36.668 38.790 -2.122 1
1 326 . 7 1 1 A 34 34 TYR N N 34 118.901 117.717 1.184 1
1 327 . 7 1 1 A 35 35 PRO HA H 35 4.100 4.294 -0.194 1
1 330 . 7 1 1 A 35 35 PRO C C 35 177.893 179.062 -1.169 1
1 331 . 7 1 1 A 35 35 PRO CA C 35 66.575 66.281 0.294 1
1 332 . 7 1 1 A 35 35 PRO CB C 35 32.036 31.632 0.404 1
1 333 . 7 1 1 A 36 36 GLU H H 36 9.144 8.425 0.719 1
1 334 . 7 1 1 A 36 36 GLU HA H 36 4.090 4.065 0.025 1
1 337 . 7 1 1 A 36 36 GLU C C 36 178.276 179.246 -0.970 1
1 338 . 7 1 1 A 36 36 GLU CA C 36 59.597 59.863 -0.266 1
1 339 . 7 1 1 A 36 36 GLU CB C 36 28.790 29.496 -0.706 1
1 340 . 7 1 1 A 36 36 GLU N N 36 115.616 117.488 -1.872 1
1 341 . 7 1 1 A 37 37 ILE H H 37 7.227 8.155 -0.928 1
1 342 . 7 1 1 A 37 37 ILE HA H 37 4.020 3.829 0.191 1
1 352 . 7 1 1 A 37 37 ILE C C 37 178.767 177.424 1.343 1
1 353 . 7 1 1 A 37 37 ILE CA C 37 62.612 64.807 -2.195 1
1 354 . 7 1 1 A 37 37 ILE CB C 37 37.690 37.953 -0.263 1
1 358 . 7 1 1 A 37 37 ILE N N 37 117.970 120.554 -2.584 1
1 359 . 7 1 1 A 38 38 LEU H H 38 7.737 7.879 -0.142 1
1 360 . 7 1 1 A 38 38 LEU HA H 38 3.860 4.334 -0.474 1
1 370 . 7 1 1 A 38 38 LEU C C 38 179.021 178.777 0.244 1
1 371 . 7 1 1 A 38 38 LEU CA C 38 57.346 55.298 2.048 1
1 372 . 7 1 1 A 38 38 LEU CB C 38 41.634 42.074 -0.440 1
1 376 . 7 1 1 A 38 38 LEU N N 38 119.122 120.988 -1.866 1
1 377 . 7 1 1 A 39 39 ASN H H 39 8.347 8.931 -0.584 1
1 378 . 7 1 1 A 39 39 ASN HA H 39 4.440 4.519 -0.079 1
1 380 . 7 1 1 A 39 39 ASN C C 39 175.797 176.691 -0.894 1
1 381 . 7 1 1 A 39 39 ASN CA C 39 55.237 56.032 -0.795 1
1 382 . 7 1 1 A 39 39 ASN CB C 39 38.282 38.974 -0.692 1
1 383 . 7 1 1 A 39 39 ASN N N 39 115.266 117.977 -2.711 1
1 384 . 7 1 1 A 40 40 ASN H H 40 7.279 7.448 -0.169 1
1 385 . 7 1 1 A 40 40 ASN HA H 40 4.842 4.889 -0.047 1
1 388 . 7 1 1 A 40 40 ASN C C 40 174.085 173.819 0.266 1
1 389 . 7 1 1 A 40 40 ASN CA C 40 52.778 53.028 -0.250 1
1 390 . 7 1 1 A 40 40 ASN CB C 40 39.998 39.121 0.877 1
1 391 . 7 1 1 A 40 40 ASN N N 40 115.166 115.024 0.142 1
1 392 . 7 1 1 A 41 41 LEU H H 41 7.151 7.491 -0.340 1
1 393 . 7 1 1 A 41 41 LEU HA H 41 4.420 4.944 -0.524 1
1 403 . 7 1 1 A 41 41 LEU C C 41 176.343 174.811 1.532 1
1 404 . 7 1 1 A 41 41 LEU CA C 41 55.639 53.426 2.213 1
1 405 . 7 1 1 A 41 41 LEU CB C 41 43.186 44.544 -1.358 1
1 409 . 7 1 1 A 41 41 LEU N N 41 122.633 121.099 1.534 1
1 410 . 7 1 1 A 42 42 THR H H 42 8.040 8.683 -0.643 1
1 411 . 7 1 1 A 42 42 THR HA H 42 4.770 4.978 -0.208 1
1 416 . 7 1 1 A 42 42 THR C C 42 175.548 175.451 0.097 1
1 417 . 7 1 1 A 42 42 THR CA C 42 59.354 59.932 -0.578 1
1 418 . 7 1 1 A 42 42 THR CB C 42 71.538 70.965 0.573 1
1 420 . 7 1 1 A 42 42 THR N N 42 117.269 118.794 -1.525 1
1 421 . 7 1 1 A 43 43 LYS H H 43 8.841 9.006 -0.165 1
1 422 . 7 1 1 A 43 43 LYS HA H 43 3.780 3.938 -0.158 1
1 428 . 7 1 1 A 43 43 LYS C C 43 177.649 178.188 -0.539 1
1 429 . 7 1 1 A 43 43 LYS CA C 43 59.948 59.849 0.099 1
1 430 . 7 1 1 A 43 43 LYS CB C 43 32.318 32.042 0.276 1
1 432 . 7 1 1 A 43 43 LYS N N 43 120.046 128.891 -8.845 1
1 433 . 7 1 1 A 44 44 GLU H H 44 8.565 8.409 0.156 1
1 434 . 7 1 1 A 44 44 GLU HA H 44 4.200 4.071 0.129 1
1 438 . 7 1 1 A 44 44 GLU C C 44 177.413 178.682 -1.269 1
1 439 . 7 1 1 A 44 44 GLU CA C 44 58.761 59.571 -0.810 1
1 440 . 7 1 1 A 44 44 GLU CB C 44 28.613 29.363 -0.750 1
1 441 . 7 1 1 A 44 44 GLU N N 44 117.096 120.641 -3.545 1
1 442 . 7 1 1 A 45 45 GLN H H 45 7.667 8.978 -1.311 1
1 443 . 7 1 1 A 45 45 GLN HA H 45 4.230 4.117 0.113 1
1 446 . 7 1 1 A 45 45 GLN C C 45 174.680 176.524 -1.844 1
1 447 . 7 1 1 A 45 45 GLN CA C 45 56.637 58.334 -1.697 1
1 448 . 7 1 1 A 45 45 GLN CB C 45 30.099 28.939 1.160 1
1 449 . 7 1 1 A 45 45 GLN N N 45 116.509 118.985 -2.476 1
1 450 . 7 1 1 A 46 46 ILE H H 46 7.595 6.995 0.600 1
1 451 . 7 1 1 A 46 46 ILE HA H 46 4.385 3.913 0.472 1
1 461 . 7 1 1 A 46 46 ILE C C 46 174.202 175.555 -1.353 1
1 462 . 7 1 1 A 46 46 ILE CA C 46 60.775 62.273 -1.498 1
1 463 . 7 1 1 A 46 46 ILE CB C 46 38.470 37.788 0.682 1
1 467 . 7 1 1 A 46 46 ILE N N 46 120.018 120.371 -0.353 1
1 468 . 7 1 1 A 47 47 SER H H 47 7.948 8.211 -0.263 1
1 469 . 7 1 1 A 47 47 SER HA H 47 4.915 4.919 -0.004 1
1 472 . 7 1 1 A 47 47 SER C C 47 172.724 174.059 -1.335 1
1 473 . 7 1 1 A 47 47 SER CA C 47 57.092 58.042 -0.950 1
1 474 . 7 1 1 A 47 47 SER CB C 47 64.837 63.997 0.840 1
1 475 . 7 1 1 A 47 47 SER N N 47 120.935 124.486 -3.551 1
1 476 . 7 1 1 A 48 48 LEU H H 48 8.665 8.898 -0.233 1
1 477 . 7 1 1 A 48 48 LEU HA H 48 5.707 5.251 0.456 1
1 487 . 7 1 1 A 48 48 LEU C C 48 177.942 175.583 2.359 1
1 488 . 7 1 1 A 48 48 LEU CA C 48 53.244 53.795 -0.551 1
1 489 . 7 1 1 A 48 48 LEU CB C 48 44.148 45.302 -1.154 1
1 493 . 7 1 1 A 48 48 LEU N N 48 124.499 126.308 -1.809 1
1 494 . 7 1 1 A 49 49 TRP H H 49 9.205 8.703 0.502 1
1 495 . 7 1 1 A 49 49 TRP HA H 49 5.819 5.040 0.779 1
1 498 . 7 1 1 A 49 49 TRP C C 49 172.596 174.301 -1.705 1
1 499 . 7 1 1 A 49 49 TRP CA C 49 57.390 57.589 -0.199 1
1 500 . 7 1 1 A 49 49 TRP CB C 49 32.341 32.825 -0.484 1
1 501 . 7 1 1 A 49 49 TRP N N 49 122.571 125.568 -2.997 1
1 503 . 7 1 1 A 50 50 ILE H H 50 8.559 8.890 -0.331 1
1 504 . 7 1 1 A 50 50 ILE HA H 50 4.570 4.392 0.178 1
1 514 . 7 1 1 A 50 50 ILE C C 50 174.443 173.957 0.486 1
1 515 . 7 1 1 A 50 50 ILE CA C 50 59.706 59.724 -0.018 1
1 516 . 7 1 1 A 50 50 ILE CB C 50 42.605 39.952 2.653 1
1 520 . 7 1 1 A 50 50 ILE N N 50 113.357 127.442 -14.085 1
1 521 . 7 1 1 A 51 51 ASP H H 51 8.497 8.632 -0.135 1
1 522 . 7 1 1 A 51 51 ASP HA H 51 5.226 5.183 0.043 1
1 525 . 7 1 1 A 51 51 ASP C C 51 177.162 176.243 0.919 1
1 526 . 7 1 1 A 51 51 ASP CA C 51 52.584 52.522 0.062 1
1 527 . 7 1 1 A 51 51 ASP CB C 51 43.343 41.329 2.014 1
1 528 . 7 1 1 A 51 51 ASP N N 51 122.696 126.493 -3.797 1
1 529 . 7 1 1 A 52 52 ALA H H 52 9.021 8.683 0.338 1
1 530 . 7 1 1 A 52 52 ALA HA H 52 4.410 4.693 -0.283 1
1 534 . 7 1 1 A 52 52 ALA C C 52 174.841 177.002 -2.161 1
1 535 . 7 1 1 A 52 52 ALA CA C 52 51.807 51.356 0.451 1
1 536 . 7 1 1 A 52 52 ALA CB C 52 18.117 19.045 -0.928 1
1 537 . 7 1 1 A 52 52 ALA N N 52 131.046 126.249 4.797 1
1 538 . 7 1 1 A 53 53 THR H H 53 8.250 7.681 0.569 1
1 539 . 7 1 1 A 53 53 THR HA H 53 3.880 4.230 -0.350 1
1 544 . 7 1 1 A 53 53 THR C C 53 177.316 175.863 1.453 1
1 545 . 7 1 1 A 53 53 THR CA C 53 66.288 63.455 2.833 1
1 546 . 7 1 1 A 53 53 THR CB C 53 68.896 68.937 -0.041 1
1 548 . 7 1 1 A 53 53 THR N N 53 116.426 114.152 2.274 1
1 549 . 7 1 1 A 54 54 GLY H H 54 9.304 8.984 0.320 1
1 550 . 7 1 1 A 54 54 GLY HA2 H 54 3.950 3.861 0.089 1
1 551 . 7 1 1 A 54 54 GLY HA3 H 54 3.770 3.868 -0.098 1
1 552 . 7 1 1 A 54 54 GLY C C 54 174.142 174.454 -0.312 1
1 553 . 7 1 1 A 54 54 GLY CA C 54 45.832 46.366 -0.534 1
1 554 . 7 1 1 A 54 54 GLY N N 54 115.462 115.703 -0.241 1
1 555 . 7 1 1 A 55 55 LYS H H 55 7.588 7.816 -0.228 1
1 556 . 7 1 1 A 55 55 LYS HA H 55 4.067 4.554 -0.487 1
1 565 . 7 1 1 A 55 55 LYS C C 55 174.805 175.772 -0.967 1
1 566 . 7 1 1 A 55 55 LYS CA C 55 54.856 54.568 0.288 1
1 567 . 7 1 1 A 55 55 LYS CB C 55 32.971 34.496 -1.525 1
1 571 . 7 1 1 A 55 55 LYS N N 55 120.231 119.170 1.061 1
1 572 . 7 1 1 A 56 56 ALA H H 56 7.619 8.703 -1.084 1
1 573 . 7 1 1 A 56 56 ALA HA H 56 4.620 4.666 -0.046 1
1 577 . 7 1 1 A 56 56 ALA C C 56 177.034 177.875 -0.841 1
1 578 . 7 1 1 A 56 56 ALA CA C 56 49.962 51.163 -1.201 1
1 579 . 7 1 1 A 56 56 ALA CB C 56 21.814 20.852 0.962 1
1 580 . 7 1 1 A 56 56 ALA N N 56 121.951 127.675 -5.724 1
1 581 . 7 1 1 A 57 57 VAL H H 57 7.896 8.470 -0.574 1
1 582 . 7 1 1 A 57 57 VAL HA H 57 3.520 3.856 -0.336 1
1 590 . 7 1 1 A 57 57 VAL C C 57 175.691 176.351 -0.660 1
1 591 . 7 1 1 A 57 57 VAL CA C 57 64.652 64.842 -0.190 1
1 592 . 7 1 1 A 57 57 VAL CB C 57 32.644 31.878 0.766 1
1 595 . 7 1 1 A 57 57 VAL N N 57 116.475 119.265 -2.790 1
1 596 . 7 1 1 A 58 58 GLY H H 58 8.429 8.548 -0.119 1
1 597 . 7 1 1 A 58 58 GLY HA2 H 58 4.442 4.169 0.273 1
1 598 . 7 1 1 A 58 58 GLY HA3 H 58 3.739 4.189 -0.450 1
1 599 . 7 1 1 A 58 58 GLY C C 58 170.877 173.206 -2.329 1
1 600 . 7 1 1 A 58 58 GLY CA C 58 43.207 44.206 -0.999 1
1 601 . 7 1 1 A 58 58 GLY N N 58 113.209 111.998 1.211 1
1 602 . 7 1 1 A 59 59 GLU H H 59 8.017 8.278 -0.261 1
1 603 . 7 1 1 A 59 59 GLU HA H 59 4.690 4.771 -0.081 1
1 606 . 7 1 1 A 59 59 GLU C C 59 175.309 176.048 -0.739 1
1 607 . 7 1 1 A 59 59 GLU CA C 59 55.370 56.277 -0.907 1
1 608 . 7 1 1 A 59 59 GLU CB C 59 32.114 29.840 2.274 1
1 610 . 7 1 1 A 59 59 GLU N N 59 119.976 118.732 1.244 1
1 611 . 7 1 1 A 60 60 HIS H H 60 9.001 8.294 0.707 1
1 612 . 7 1 1 A 60 60 HIS HA H 60 4.637 5.176 -0.539 1
1 615 . 7 1 1 A 60 60 HIS C C 60 173.585 171.746 1.839 1
1 616 . 7 1 1 A 60 60 HIS CA C 60 55.364 53.846 1.518 1
1 617 . 7 1 1 A 60 60 HIS CB C 60 33.699 32.574 1.125 1
1 618 . 7 1 1 A 60 60 HIS N N 60 125.266 117.798 7.468 1
1 619 . 7 1 1 A 61 61 THR H H 61 8.712 8.651 0.061 1
1 620 . 7 1 1 A 61 61 THR HA H 61 5.333 4.708 0.625 1
1 625 . 7 1 1 A 61 61 THR C C 61 175.155 173.812 1.343 1
1 626 . 7 1 1 A 61 61 THR CA C 61 62.600 62.487 0.113 1
1 627 . 7 1 1 A 61 61 THR CB C 61 69.914 69.810 0.104 1
1 628 . 7 1 1 A 61 61 THR N N 61 120.973 116.754 4.219 1
1 629 . 7 1 1 A 62 62 VAL H H 62 9.313 8.698 0.615 1
1 630 . 7 1 1 A 62 62 VAL HA H 62 4.910 4.853 0.057 1
1 638 . 7 1 1 A 62 62 VAL C C 62 173.545 175.002 -1.457 1
1 639 . 7 1 1 A 62 62 VAL CA C 62 58.734 59.148 -0.414 1
1 640 . 7 1 1 A 62 62 VAL CB C 62 36.638 35.682 0.956 1
1 643 . 7 1 1 A 62 62 VAL N N 62 120.591 120.912 -0.321 1
1 644 . 7 1 1 A 63 63 LYS H H 63 7.815 8.305 -0.490 1
1 645 . 7 1 1 A 63 63 LYS HA H 63 4.552 4.491 0.061 1
1 650 . 7 1 1 A 63 63 LYS C C 63 175.805 176.015 -0.210 1
1 651 . 7 1 1 A 63 63 LYS CA C 63 54.680 56.003 -1.323 1
1 652 . 7 1 1 A 63 63 LYS CB C 63 32.896 33.417 -0.521 1
1 656 . 7 1 1 A 63 63 LYS N N 63 118.768 122.833 -4.065 1
1 657 . 7 1 1 A 64 64 ILE H H 64 8.349 8.851 -0.502 1
1 658 . 7 1 1 A 64 64 ILE HA H 64 3.870 4.577 -0.707 1
1 668 . 7 1 1 A 64 64 ILE C C 64 175.894 176.229 -0.335 1
1 669 . 7 1 1 A 64 64 ILE CA C 64 61.324 60.241 1.083 1
1 670 . 7 1 1 A 64 64 ILE CB C 64 39.638 39.814 -0.176 1
1 674 . 7 1 1 A 64 64 ILE N N 64 121.703 123.445 -1.742 1
1 675 . 7 1 1 A 65 65 TYR H H 65 8.491 9.035 -0.544 1
1 676 . 7 1 1 A 65 65 TYR CA C 65 57.180 62.156 -4.976 1
1 677 . 7 1 1 A 65 65 TYR CB C 65 37.490 39.293 -1.803 1
1 678 . 7 1 1 A 65 65 TYR N N 65 125.077 127.102 -2.025 1
1 680 . 7 1 1 A 66 66 TRP C C 66 175.586 174.739 0.847 1
1 681 . 7 1 1 A 66 66 TRP CB C 66 33.607 28.029 5.578 1
1 683 . 7 1 1 A 67 67 GLN H H 67 9.048 8.042 1.006 1
1 684 . 7 1 1 A 67 67 GLN HA H 67 4.751 4.995 -0.244 1
1 687 . 7 1 1 A 67 67 GLN C C 67 174.057 174.406 -0.349 1
1 688 . 7 1 1 A 67 67 GLN CA C 67 56.338 55.016 1.322 1
1 689 . 7 1 1 A 67 67 GLN CB C 67 32.401 32.573 -0.172 1
1 690 . 7 1 1 A 67 67 GLN N N 67 119.746 127.181 -7.435 1
1 691 . 7 1 1 A 68 68 LEU H H 68 8.898 8.939 -0.041 1
1 692 . 7 1 1 A 68 68 LEU HA H 68 5.160 5.010 0.150 1
1 702 . 7 1 1 A 68 68 LEU CA C 68 51.902 51.031 0.871 1
1 703 . 7 1 1 A 68 68 LEU CB C 68 45.191 44.431 0.760 1
1 707 . 7 1 1 A 68 68 LEU N N 68 126.170 122.961 3.209 1
1 708 . 7 1 1 A 69 69 PRO HA H 69 4.511 4.629 -0.118 1
1 715 . 7 1 1 A 69 69 PRO C C 69 175.054 176.158 -1.104 1
1 716 . 7 1 1 A 69 69 PRO CA C 69 62.538 63.669 -1.131 1
1 717 . 7 1 1 A 69 69 PRO CB C 69 32.297 32.844 -0.547 1
1 720 . 7 1 1 A 70 70 ALA H H 70 8.307 7.822 0.485 1
1 721 . 7 1 1 A 70 70 ALA HA H 70 4.180 4.393 -0.213 1
1 725 . 7 1 1 A 70 70 ALA C C 70 178.404 177.972 0.432 1
1 726 . 7 1 1 A 70 70 ALA CA C 70 53.532 52.235 1.297 1
1 727 . 7 1 1 A 70 70 ALA CB C 70 18.613 20.222 -1.609 1
1 728 . 7 1 1 A 70 70 ALA N N 70 123.217 124.466 -1.249 1
1 729 . 7 1 1 A 71 71 GLY H H 71 8.667 8.313 0.354 1
1 730 . 7 1 1 A 71 71 GLY HA2 H 71 4.230 4.111 0.119 1
1 731 . 7 1 1 A 71 71 GLY HA3 H 71 3.650 4.130 -0.480 1
1 732 . 7 1 1 A 71 71 GLY C C 71 173.707 174.326 -0.619 1
1 733 . 7 1 1 A 71 71 GLY CA C 71 45.049 45.910 -0.861 1
1 734 . 7 1 1 A 71 71 GLY N N 71 108.062 108.041 0.021 1
1 735 . 7 1 1 A 72 72 ILE H H 72 7.448 7.667 -0.219 1
1 736 . 7 1 1 A 72 72 ILE HA H 72 4.569 4.727 -0.158 1
1 745 . 7 1 1 A 72 72 ILE C C 72 174.450 174.187 0.263 1
1 746 . 7 1 1 A 72 72 ILE CA C 72 60.281 59.230 1.051 1
1 747 . 7 1 1 A 72 72 ILE CB C 72 37.826 40.230 -2.404 1
1 751 . 7 1 1 A 72 72 ILE N N 72 118.695 117.133 1.562 1
1 752 . 7 1 1 A 73 73 GLU H H 73 8.767 8.919 -0.152 1
1 755 . 7 1 1 A 73 73 GLU C C 73 175.210 175.884 -0.674 1
1 756 . 7 1 1 A 73 73 GLU CA C 73 54.306 54.647 -0.341 1
1 757 . 7 1 1 A 73 73 GLU CB C 73 32.927 32.829 0.098 1
1 758 . 7 1 1 A 73 73 GLU N N 73 126.361 122.115 4.246 1
1 759 . 7 1 1 A 74 74 MET H H 74 8.618 8.817 -0.199 1
1 760 . 7 1 1 A 74 74 MET HA H 74 4.307 4.480 -0.173 1
1 764 . 7 1 1 A 74 74 MET C C 74 175.176 176.432 -1.256 1
1 765 . 7 1 1 A 74 74 MET CA C 74 53.791 54.962 -1.171 1
1 766 . 7 1 1 A 74 74 MET CB C 74 31.127 31.669 -0.542 1
1 768 . 7 1 1 A 74 74 MET N N 74 124.594 127.426 -2.832 1
1 769 . 7 1 1 A 75 75 VAL H H 75 8.679 8.713 -0.034 1
1 770 . 7 1 1 A 75 75 VAL HA H 75 3.922 3.884 0.038 1
1 778 . 7 1 1 A 75 75 VAL C C 75 176.056 175.830 0.226 1
1 779 . 7 1 1 A 75 75 VAL CA C 75 64.246 64.003 0.243 1
1 780 . 7 1 1 A 75 75 VAL CB C 75 32.577 32.206 0.371 1
1 783 . 7 1 1 A 75 75 VAL N N 75 128.728 123.876 4.852 1
1 784 . 7 1 1 A 76 76 SER H H 76 7.610 7.536 0.074 1
1 785 . 7 1 1 A 76 76 SER HA H 76 4.641 4.569 0.072 1
1 787 . 7 1 1 A 76 76 SER C C 76 171.007 171.935 -0.928 1
1 788 . 7 1 1 A 76 76 SER CA C 76 57.618 57.162 0.456 1
1 789 . 7 1 1 A 76 76 SER CB C 76 65.001 64.909 0.092 1
1 790 . 7 1 1 A 76 76 SER N N 76 112.117 111.315 0.802 1
1 791 . 7 1 1 A 77 77 ILE H H 77 8.019 8.520 -0.501 1
1 792 . 7 1 1 A 77 77 ILE HA H 77 4.790 4.549 0.241 1
1 802 . 7 1 1 A 77 77 ILE CA C 77 57.476 57.841 -0.365 1
1 803 . 7 1 1 A 77 77 ILE CB C 77 41.550 40.339 1.211 1
1 806 . 7 1 1 A 77 77 ILE N N 77 124.876 123.006 1.870 1
1 807 . 7 1 1 A 78 78 PRO HA H 78 4.662 4.697 -0.035 1
1 814 . 7 1 1 A 78 78 PRO C C 78 176.687 175.000 1.687 1
1 815 . 7 1 1 A 78 78 PRO CA C 78 62.854 62.212 0.642 1
1 816 . 7 1 1 A 78 78 PRO CB C 78 36.960 33.027 3.933 1
1 819 . 7 1 1 A 79 79 ASP H H 79 7.912 8.437 -0.525 1
1 820 . 7 1 1 A 79 79 ASP HA H 79 4.980 5.292 -0.312 1
1 823 . 7 1 1 A 79 79 ASP C C 79 175.812 174.654 1.158 1
1 824 . 7 1 1 A 79 79 ASP CA C 79 54.046 52.638 1.408 1
1 825 . 7 1 1 A 79 79 ASP CB C 79 41.269 45.188 -3.919 1
1 826 . 7 1 1 A 79 79 ASP N N 79 118.235 119.328 -1.093 1
1 827 . 7 1 1 A 80 80 VAL H H 80 8.641 8.267 0.374 1
1 828 . 7 1 1 A 80 80 VAL HA H 80 4.623 4.861 -0.238 1
1 836 . 7 1 1 A 80 80 VAL C C 80 172.960 173.302 -0.342 1
1 837 . 7 1 1 A 80 80 VAL CA C 80 60.561 59.911 0.650 1
1 838 . 7 1 1 A 80 80 VAL CB C 80 36.112 35.813 0.299 1
1 841 . 7 1 1 A 80 80 VAL N N 80 116.881 120.028 -3.147 1
1 842 . 7 1 1 A 81 81 THR H H 81 8.304 8.571 -0.267 1
1 843 . 7 1 1 A 81 81 THR HA H 81 5.822 5.076 0.746 1
1 848 . 7 1 1 A 81 81 THR C C 81 173.431 173.020 0.411 1
1 849 . 7 1 1 A 81 81 THR CA C 81 61.014 60.631 0.383 1
1 850 . 7 1 1 A 81 81 THR CB C 81 70.663 71.806 -1.143 1
1 852 . 7 1 1 A 81 81 THR N N 81 123.670 121.740 1.930 1
1 853 . 7 1 1 A 82 82 TYR H H 82 9.293 8.292 1.001 1
1 854 . 7 1 1 A 82 82 TYR HA H 82 5.040 5.163 -0.123 1
1 857 . 7 1 1 A 82 82 TYR C C 82 172.210 172.084 0.126 1
1 858 . 7 1 1 A 82 82 TYR CA C 82 55.640 55.940 -0.300 1
1 859 . 7 1 1 A 82 82 TYR CB C 82 41.461 40.403 1.058 1
1 860 . 7 1 1 A 82 82 TYR N N 82 124.984 121.486 3.498 1
1 861 . 7 1 1 A 83 83 THR H H 83 8.774 8.784 -0.010 1
1 862 . 7 1 1 A 83 83 THR HA H 83 5.150 4.964 0.186 1
1 864 . 7 1 1 A 83 83 THR C C 83 173.942 173.859 0.083 1
1 865 . 7 1 1 A 83 83 THR CA C 83 61.324 61.643 -0.319 1
1 866 . 7 1 1 A 83 83 THR CB C 83 71.117 70.664 0.453 1
1 867 . 7 1 1 A 83 83 THR N N 83 115.669 114.619 1.050 1
1 868 . 7 1 1 A 84 84 LEU H H 84 8.859 8.969 -0.110 1
1 869 . 7 1 1 A 84 84 LEU HA H 84 5.400 4.925 0.475 1
1 879 . 7 1 1 A 84 84 LEU C C 84 176.575 176.675 -0.100 1
1 880 . 7 1 1 A 84 84 LEU CA C 84 52.755 53.663 -0.908 1
1 881 . 7 1 1 A 84 84 LEU CB C 84 44.443 44.004 0.439 1
1 885 . 7 1 1 A 84 84 LEU N N 84 125.146 127.957 -2.811 1
1 886 . 7 1 1 A 85 85 LYS H H 85 9.505 8.712 0.793 1
1 887 . 7 1 1 A 85 85 LYS HA H 85 4.793 5.002 -0.209 1
1 893 . 7 1 1 A 85 85 LYS C C 85 173.593 175.189 -1.596 1
1 894 . 7 1 1 A 85 85 LYS CA C 85 54.002 54.437 -0.435 1
1 895 . 7 1 1 A 85 85 LYS CB C 85 36.173 35.579 0.594 1
1 899 . 7 1 1 A 85 85 LYS N N 85 122.212 121.428 0.784 1
1 900 . 7 1 1 A 86 86 ALA H H 86 8.714 8.562 0.152 1
1 901 . 7 1 1 A 86 86 ALA HA H 86 4.489 4.276 0.213 1
1 905 . 7 1 1 A 86 86 ALA C C 86 178.091 177.146 0.945 1
1 906 . 7 1 1 A 86 86 ALA CA C 86 52.548 52.509 0.039 1
1 907 . 7 1 1 A 86 86 ALA CB C 86 18.787 19.267 -0.480 1
1 908 . 7 1 1 A 86 86 ALA N N 86 123.336 125.011 -1.675 1
1 909 . 7 1 1 A 87 87 LYS H H 87 8.242 8.488 -0.246 1
1 910 . 7 1 1 A 87 87 LYS HA H 87 3.963 4.316 -0.353 1
1 917 . 7 1 1 A 87 87 LYS C C 87 176.384 176.552 -0.168 1
1 918 . 7 1 1 A 87 87 LYS CA C 87 57.672 57.188 0.484 1
1 919 . 7 1 1 A 87 87 LYS CB C 87 33.298 33.322 -0.024 1
1 922 . 7 1 1 A 87 87 LYS N N 87 122.855 121.953 0.902 1
1 923 . 7 1 1 A 88 88 GLU H H 88 8.485 8.774 -0.289 1
1 924 . 7 1 1 A 88 88 GLU HA H 88 4.305 4.873 -0.568 1
1 926 . 7 1 1 A 88 88 GLU C C 88 175.437 176.489 -1.052 1
1 927 . 7 1 1 A 88 88 GLU CA C 88 55.863 55.684 0.179 1
1 928 . 7 1 1 A 88 88 GLU CB C 88 30.831 30.709 0.122 1
1 929 . 7 1 1 A 88 88 GLU N N 88 122.851 122.356 0.495 1
1 930 . 7 1 1 A 89 89 ASP H H 89 8.522 7.481 1.041 1
1 931 . 7 1 1 A 89 89 ASP HA H 89 4.840 4.700 0.140 1
1 934 . 7 1 1 A 89 89 ASP CA C 89 52.036 52.773 -0.737 1
1 935 . 7 1 1 A 89 89 ASP CB C 89 41.551 40.195 1.356 1
1 936 . 7 1 1 A 89 89 ASP N N 89 123.882 122.563 1.319 1
1 937 . 7 1 1 A 90 90 PRO HA H 90 4.387 4.486 -0.099 1
1 942 . 7 1 1 A 90 90 PRO C C 90 177.292 178.966 -1.674 1
1 943 . 7 1 1 A 90 90 PRO CA C 90 63.694 65.534 -1.840 1
1 944 . 7 1 1 A 90 90 PRO CB C 90 32.270 31.978 0.292 1
1 947 . 7 1 1 A 91 91 LEU H H 91 8.340 7.854 0.486 1
1 948 . 7 1 1 A 91 91 LEU HA H 91 4.230 4.032 0.198 1
1 958 . 7 1 1 A 91 91 LEU C C 91 177.668 177.674 -0.006 1
1 959 . 7 1 1 A 91 91 LEU CA C 91 55.381 57.229 -1.848 1
1 960 . 7 1 1 A 91 91 LEU CB C 91 41.733 40.993 0.740 1
1 964 . 7 1 1 A 91 91 LEU N N 91 120.251 116.986 3.265 1
1 965 . 7 1 1 A 92 92 GLU H H 92 7.977 8.034 -0.057 1
1 966 . 7 1 1 A 92 92 GLU C C 92 176.310 175.900 0.410 1
1 967 . 7 1 1 A 92 92 GLU CA C 92 56.745 56.163 0.582 1
1 968 . 7 1 1 A 92 92 GLU CB C 92 30.187 29.263 0.924 1
1 969 . 7 1 1 A 92 92 GLU N N 92 120.217 119.406 0.811 1
1 970 . 7 1 1 A 93 93 HIS H H 93 8.242 7.952 0.290 1
1 972 . 7 1 1 A 93 93 HIS C C 93 173.935 174.606 -0.671 1
1 973 . 7 1 1 A 93 93 HIS CA C 93 55.918 57.979 -2.061 1
1 974 . 7 1 1 A 93 93 HIS CB C 93 29.960 28.037 1.923 1
1 975 . 7 1 1 A 93 93 HIS N N 93 119.107 124.547 -5.440 1
1 976 . 7 1 1 A 94 94 HIS H H 94 8.164 8.172 -0.008 1
1 977 . 7 1 1 A 94 94 HIS CA C 94 57.235 55.827 1.408 1
1 978 . 7 1 1 A 94 94 HIS CB C 94 30.225 31.213 -0.988 1
1 1 . 8 1 1 A 6 6 ASP C C 6 174.750 176.088 -1.338 1
1 2 . 8 1 1 A 6 6 ASP CA C 6 55.079 54.722 0.357 1
1 3 . 8 1 1 A 6 6 ASP CB C 6 38.799 41.000 -2.201 1
1 4 . 8 1 1 A 7 7 LEU H H 7 9.403 7.696 1.707 1
1 14 . 8 1 1 A 7 7 LEU CA C 7 53.136 52.452 0.684 1
1 15 . 8 1 1 A 7 7 LEU CB C 7 41.601 42.942 -1.341 1
1 18 . 8 1 1 A 7 7 LEU N N 7 123.103 119.874 3.229 1
1 19 . 8 1 1 A 8 8 PRO HA H 8 4.880 4.811 0.069 1
1 21 . 8 1 1 A 8 8 PRO C C 8 175.617 176.555 -0.938 1
1 22 . 8 1 1 A 8 8 PRO CA C 8 61.559 62.207 -0.648 1
1 23 . 8 1 1 A 8 8 PRO CB C 8 32.973 30.483 2.490 1
1 24 . 8 1 1 A 9 9 ILE H H 9 8.721 7.892 0.829 1
1 25 . 8 1 1 A 9 9 ILE HA H 9 4.156 4.464 -0.308 1
1 35 . 8 1 1 A 9 9 ILE C C 9 175.726 175.808 -0.082 1
1 36 . 8 1 1 A 9 9 ILE CA C 9 60.104 61.193 -1.089 1
1 37 . 8 1 1 A 9 9 ILE CB C 9 41.286 38.622 2.664 1
1 40 . 8 1 1 A 9 9 ILE N N 9 118.531 123.967 -5.436 1
1 41 . 8 1 1 A 10 10 VAL H H 10 8.229 8.510 -0.281 1
1 42 . 8 1 1 A 10 10 VAL HA H 10 4.146 4.921 -0.775 1
1 50 . 8 1 1 A 10 10 VAL C C 10 174.221 174.395 -0.174 1
1 51 . 8 1 1 A 10 10 VAL CA C 10 62.271 60.885 1.386 1
1 52 . 8 1 1 A 10 10 VAL CB C 10 33.507 34.986 -1.479 1
1 55 . 8 1 1 A 10 10 VAL N N 10 126.782 124.255 2.527 1
1 56 . 8 1 1 A 11 11 LEU H H 11 8.533 8.879 -0.346 1
1 57 . 8 1 1 A 11 11 LEU HA H 11 4.615 5.039 -0.424 1
1 67 . 8 1 1 A 11 11 LEU C C 11 176.048 175.830 0.218 1
1 68 . 8 1 1 A 11 11 LEU CA C 11 54.172 53.631 0.541 1
1 69 . 8 1 1 A 11 11 LEU CB C 11 42.865 44.143 -1.278 1
1 72 . 8 1 1 A 11 11 LEU N N 11 128.336 128.653 -0.317 1
1 73 . 8 1 1 A 12 12 ARG H H 12 9.076 8.882 0.194 1
1 74 . 8 1 1 A 12 12 ARG HA H 12 4.620 4.655 -0.035 1
1 81 . 8 1 1 A 12 12 ARG C C 12 175.198 176.096 -0.898 1
1 82 . 8 1 1 A 12 12 ARG CA C 12 55.178 55.058 0.120 1
1 83 . 8 1 1 A 12 12 ARG CB C 12 33.105 31.970 1.135 1
1 86 . 8 1 1 A 12 12 ARG N N 12 126.410 126.472 -0.062 1
1 87 . 8 1 1 A 13 13 ASN H H 13 8.914 8.881 0.033 1
1 88 . 8 1 1 A 13 13 ASN HA H 13 4.167 4.273 -0.106 1
1 91 . 8 1 1 A 13 13 ASN C C 13 174.200 174.549 -0.349 1
1 92 . 8 1 1 A 13 13 ASN CA C 13 54.189 54.137 0.052 1
1 93 . 8 1 1 A 13 13 ASN CB C 13 37.053 37.224 -0.171 1
1 94 . 8 1 1 A 13 13 ASN N N 13 115.665 116.017 -0.352 1
1 95 . 8 1 1 A 14 14 LEU H H 14 8.096 7.898 0.198 1
1 96 . 8 1 1 A 14 14 LEU HA H 14 4.160 4.471 -0.311 1
1 106 . 8 1 1 A 14 14 LEU CA C 14 53.789 51.748 2.041 1
1 107 . 8 1 1 A 14 14 LEU CB C 14 42.801 42.621 0.180 1
1 111 . 8 1 1 A 14 14 LEU N N 14 121.110 120.423 0.687 1
1 112 . 8 1 1 A 15 15 PRO HA H 15 4.400 4.513 -0.113 1
1 118 . 8 1 1 A 15 15 PRO C C 15 176.937 177.732 -0.795 1
1 119 . 8 1 1 A 15 15 PRO CA C 15 63.627 63.254 0.373 1
1 120 . 8 1 1 A 15 15 PRO CB C 15 32.770 32.668 0.102 1
1 123 . 8 1 1 A 16 16 GLU H H 16 8.472 8.659 -0.187 1
1 124 . 8 1 1 A 16 16 GLU HA H 16 4.083 4.026 0.057 1
1 126 . 8 1 1 A 16 16 GLU C C 16 176.530 177.035 -0.505 1
1 127 . 8 1 1 A 16 16 GLU CA C 16 58.767 59.070 -0.303 1
1 128 . 8 1 1 A 16 16 GLU CB C 16 29.951 29.316 0.635 1
1 129 . 8 1 1 A 16 16 GLU N N 16 119.567 122.252 -2.685 1
1 130 . 8 1 1 A 17 17 ASP H H 17 8.654 7.927 0.727 1
1 131 . 8 1 1 A 17 17 ASP HA H 17 4.600 4.706 -0.106 1
1 134 . 8 1 1 A 17 17 ASP C C 17 175.057 175.015 0.042 1
1 135 . 8 1 1 A 17 17 ASP CA C 17 54.212 54.039 0.173 1
1 136 . 8 1 1 A 17 17 ASP CB C 17 40.065 41.755 -1.690 1
1 137 . 8 1 1 A 17 17 ASP N N 17 114.516 118.392 -3.876 1
1 138 . 8 1 1 A 18 18 LEU H H 18 7.814 8.045 -0.231 1
1 139 . 8 1 1 A 18 18 LEU HA H 18 5.260 4.949 0.311 1
1 149 . 8 1 1 A 18 18 LEU C C 18 174.434 174.643 -0.209 1
1 150 . 8 1 1 A 18 18 LEU CA C 18 53.620 54.061 -0.441 1
1 151 . 8 1 1 A 18 18 LEU CB C 18 46.147 46.530 -0.383 1
1 155 . 8 1 1 A 18 18 LEU N N 18 120.789 120.561 0.228 1
1 156 . 8 1 1 A 19 19 VAL H H 19 8.931 8.488 0.443 1
1 157 . 8 1 1 A 19 19 VAL HA H 19 4.600 4.958 -0.358 1
1 165 . 8 1 1 A 19 19 VAL C C 19 175.054 174.603 0.451 1
1 166 . 8 1 1 A 19 19 VAL CA C 19 59.348 59.061 0.287 1
1 167 . 8 1 1 A 19 19 VAL CB C 19 36.380 36.262 0.118 1
1 170 . 8 1 1 A 19 19 VAL N N 19 111.130 118.711 -7.581 1
1 171 . 8 1 1 A 20 20 LEU H H 20 8.339 8.625 -0.286 1
1 172 . 8 1 1 A 20 20 LEU HA H 20 4.704 4.659 0.045 1
1 182 . 8 1 1 A 20 20 LEU C C 20 178.790 177.853 0.937 1
1 183 . 8 1 1 A 20 20 LEU CA C 20 55.095 53.727 1.368 1
1 184 . 8 1 1 A 20 20 LEU CB C 20 42.647 43.501 -0.854 1
1 188 . 8 1 1 A 20 20 LEU N N 20 122.936 123.424 -0.488 1
1 189 . 8 1 1 A 21 21 GLU H H 21 8.851 8.704 0.147 1
1 190 . 8 1 1 A 21 21 GLU HA H 21 3.880 4.191 -0.311 1
1 194 . 8 1 1 A 21 21 GLU C C 21 175.661 176.343 -0.682 1
1 195 . 8 1 1 A 21 21 GLU CA C 21 59.434 58.546 0.888 1
1 196 . 8 1 1 A 21 21 GLU CB C 21 31.125 29.735 1.390 1
1 198 . 8 1 1 A 21 21 GLU N N 21 124.719 122.452 2.267 1
1 199 . 8 1 1 A 22 22 LYS H H 22 7.591 7.581 0.010 1
1 200 . 8 1 1 A 22 22 LYS HA H 22 4.760 4.532 0.228 1
1 203 . 8 1 1 A 22 22 LYS CA C 22 53.277 54.222 -0.945 1
1 204 . 8 1 1 A 22 22 LYS CB C 22 34.301 35.919 -1.618 1
1 205 . 8 1 1 A 22 22 LYS N N 22 115.055 117.766 -2.711 1
1 206 . 8 1 1 A 23 23 PRO HA H 23 4.343 4.434 -0.091 1
1 213 . 8 1 1 A 23 23 PRO C C 23 176.657 175.487 1.170 1
1 214 . 8 1 1 A 23 23 PRO CA C 23 62.800 62.606 0.194 1
1 215 . 8 1 1 A 23 23 PRO CB C 23 32.360 30.321 2.039 1
1 218 . 8 1 1 A 24 24 LEU H H 24 8.507 8.244 0.263 1
1 219 . 8 1 1 A 24 24 LEU HA H 24 4.460 4.877 -0.417 1
1 225 . 8 1 1 A 24 24 LEU CA C 24 53.311 51.816 1.495 1
1 226 . 8 1 1 A 24 24 LEU CB C 24 40.716 42.531 -1.815 1
1 228 . 8 1 1 A 24 24 LEU N N 24 121.875 123.987 -2.112 1
1 229 . 8 1 1 A 25 25 PRO HA H 25 4.560 4.354 0.206 1
1 232 . 8 1 1 A 25 25 PRO C C 25 176.019 177.855 -1.836 1
1 233 . 8 1 1 A 25 25 PRO CA C 25 62.448 65.301 -2.853 1
1 234 . 8 1 1 A 25 25 PRO CB C 25 32.035 31.457 0.578 1
1 235 . 8 1 1 A 26 26 GLU H H 26 7.828 8.150 -0.322 1
1 236 . 8 1 1 A 26 26 GLU HA H 26 4.790 3.940 0.850 1
1 239 . 8 1 1 A 26 26 GLU C C 26 178.159 175.201 2.958 1
1 240 . 8 1 1 A 26 26 GLU CA C 26 55.700 57.292 -1.592 1
1 241 . 8 1 1 A 26 26 GLU CB C 26 30.291 28.301 1.990 1
1 242 . 8 1 1 A 26 26 GLU N N 26 117.053 118.186 -1.133 1
1 243 . 8 1 1 A 27 27 VAL H H 27 8.863 7.923 0.940 1
1 244 . 8 1 1 A 27 27 VAL HA H 27 4.830 4.154 0.676 1
1 252 . 8 1 1 A 27 27 VAL C C 27 174.041 175.478 -1.437 1
1 253 . 8 1 1 A 27 27 VAL CA C 27 59.788 62.120 -2.332 1
1 254 . 8 1 1 A 27 27 VAL CB C 27 35.937 32.850 3.087 1
1 257 . 8 1 1 A 27 27 VAL N N 27 114.437 120.427 -5.990 1
1 258 . 8 1 1 A 28 28 SER H H 28 7.870 8.484 -0.614 1
1 259 . 8 1 1 A 28 28 SER HA H 28 5.360 4.823 0.537 1
1 261 . 8 1 1 A 28 28 SER CA C 28 55.629 58.407 -2.778 1
1 262 . 8 1 1 A 28 28 SER CB C 28 65.215 64.277 0.938 1
1 263 . 8 1 1 A 28 28 SER N N 28 114.263 122.272 -8.009 1
1 264 . 8 1 1 A 29 29 VAL HA H 29 4.960 4.740 0.220 1
1 272 . 8 1 1 A 29 29 VAL C C 29 174.289 174.867 -0.578 1
1 273 . 8 1 1 A 29 29 VAL CA C 29 58.515 60.604 -2.089 1
1 274 . 8 1 1 A 29 29 VAL CB C 29 34.903 36.075 -1.172 1
1 277 . 8 1 1 A 30 30 THR H H 30 8.579 8.789 -0.210 1
1 278 . 8 1 1 A 30 30 THR HA H 30 5.240 4.721 0.519 1
1 283 . 8 1 1 A 30 30 THR C C 30 173.452 173.261 0.191 1
1 284 . 8 1 1 A 30 30 THR CA C 30 61.702 60.427 1.275 1
1 285 . 8 1 1 A 30 30 THR CB C 30 70.283 68.852 1.431 1
1 287 . 8 1 1 A 30 30 THR N N 30 118.278 122.091 -3.813 1
1 288 . 8 1 1 A 31 31 ILE H H 31 8.919 7.552 1.367 1
1 289 . 8 1 1 A 31 31 ILE HA H 31 5.138 4.685 0.453 1
1 299 . 8 1 1 A 31 31 ILE C C 31 173.712 174.330 -0.618 1
1 300 . 8 1 1 A 31 31 ILE CA C 31 59.199 59.680 -0.481 1
1 301 . 8 1 1 A 31 31 ILE CB C 31 41.425 41.358 0.067 1
1 305 . 8 1 1 A 31 31 ILE N N 31 119.853 122.470 -2.617 1
1 306 . 8 1 1 A 32 32 ARG H H 32 8.715 8.964 -0.249 1
1 307 . 8 1 1 A 32 32 ARG C C 32 173.382 174.282 -0.900 1
1 308 . 8 1 1 A 32 32 ARG CA C 32 55.308 53.711 1.597 1
1 309 . 8 1 1 A 32 32 ARG CB C 32 34.457 34.849 -0.392 1
1 310 . 8 1 1 A 32 32 ARG N N 32 118.433 122.705 -4.272 1
1 311 . 8 1 1 A 33 33 ALA H H 33 7.873 8.289 -0.416 1
1 312 . 8 1 1 A 33 33 ALA HA H 33 4.510 4.698 -0.188 1
1 316 . 8 1 1 A 33 33 ALA C C 33 175.205 175.870 -0.665 1
1 317 . 8 1 1 A 33 33 ALA CA C 33 51.365 51.311 0.054 1
1 318 . 8 1 1 A 33 33 ALA CB C 33 23.433 23.033 0.400 1
1 319 . 8 1 1 A 33 33 ALA N N 33 123.018 120.988 2.030 1
1 320 . 8 1 1 A 34 34 TYR H H 34 8.171 8.526 -0.355 1
1 321 . 8 1 1 A 34 34 TYR HA H 34 4.860 4.640 0.220 1
1 324 . 8 1 1 A 34 34 TYR CA C 34 56.646 57.173 -0.527 1
1 325 . 8 1 1 A 34 34 TYR CB C 34 36.668 38.837 -2.169 1
1 326 . 8 1 1 A 34 34 TYR N N 34 118.901 117.493 1.408 1
1 327 . 8 1 1 A 35 35 PRO HA H 35 4.100 4.302 -0.202 1
1 330 . 8 1 1 A 35 35 PRO C C 35 177.893 179.035 -1.142 1
1 331 . 8 1 1 A 35 35 PRO CA C 35 66.575 65.888 0.687 1
1 332 . 8 1 1 A 35 35 PRO CB C 35 32.036 31.853 0.183 1
1 333 . 8 1 1 A 36 36 GLU H H 36 9.144 8.431 0.713 1
1 334 . 8 1 1 A 36 36 GLU HA H 36 4.090 4.104 -0.014 1
1 337 . 8 1 1 A 36 36 GLU C C 36 178.276 179.172 -0.896 1
1 338 . 8 1 1 A 36 36 GLU CA C 36 59.597 59.779 -0.182 1
1 339 . 8 1 1 A 36 36 GLU CB C 36 28.790 29.352 -0.562 1
1 340 . 8 1 1 A 36 36 GLU N N 36 115.616 117.297 -1.681 1
1 341 . 8 1 1 A 37 37 ILE H H 37 7.227 8.223 -0.996 1
1 342 . 8 1 1 A 37 37 ILE HA H 37 4.020 3.876 0.144 1
1 352 . 8 1 1 A 37 37 ILE C C 37 178.767 177.966 0.801 1
1 353 . 8 1 1 A 37 37 ILE CA C 37 62.612 64.655 -2.043 1
1 354 . 8 1 1 A 37 37 ILE CB C 37 37.690 37.731 -0.041 1
1 358 . 8 1 1 A 37 37 ILE N N 37 117.970 120.847 -2.877 1
1 359 . 8 1 1 A 38 38 LEU H H 38 7.737 7.582 0.155 1
1 360 . 8 1 1 A 38 38 LEU HA H 38 3.860 4.307 -0.447 1
1 370 . 8 1 1 A 38 38 LEU C C 38 179.021 178.922 0.099 1
1 371 . 8 1 1 A 38 38 LEU CA C 38 57.346 55.660 1.686 1
1 372 . 8 1 1 A 38 38 LEU CB C 38 41.634 42.358 -0.724 1
1 376 . 8 1 1 A 38 38 LEU N N 38 119.122 120.735 -1.613 1
1 377 . 8 1 1 A 39 39 ASN H H 39 8.347 8.185 0.162 1
1 378 . 8 1 1 A 39 39 ASN HA H 39 4.440 4.420 0.020 1
1 380 . 8 1 1 A 39 39 ASN C C 39 175.797 176.911 -1.114 1
1 381 . 8 1 1 A 39 39 ASN CA C 39 55.237 56.871 -1.634 1
1 382 . 8 1 1 A 39 39 ASN CB C 39 38.282 38.648 -0.366 1
1 383 . 8 1 1 A 39 39 ASN N N 39 115.266 118.593 -3.327 1
1 384 . 8 1 1 A 40 40 ASN H H 40 7.279 7.428 -0.149 1
1 385 . 8 1 1 A 40 40 ASN HA H 40 4.842 4.895 -0.053 1
1 388 . 8 1 1 A 40 40 ASN C C 40 174.085 173.956 0.129 1
1 389 . 8 1 1 A 40 40 ASN CA C 40 52.778 53.022 -0.244 1
1 390 . 8 1 1 A 40 40 ASN CB C 40 39.998 38.939 1.059 1
1 391 . 8 1 1 A 40 40 ASN N N 40 115.166 114.267 0.899 1
1 392 . 8 1 1 A 41 41 LEU H H 41 7.151 7.343 -0.192 1
1 393 . 8 1 1 A 41 41 LEU HA H 41 4.420 5.132 -0.712 1
1 403 . 8 1 1 A 41 41 LEU C C 41 176.343 174.581 1.762 1
1 404 . 8 1 1 A 41 41 LEU CA C 41 55.639 53.363 2.276 1
1 405 . 8 1 1 A 41 41 LEU CB C 41 43.186 45.418 -2.232 1
1 409 . 8 1 1 A 41 41 LEU N N 41 122.633 122.070 0.563 1
1 410 . 8 1 1 A 42 42 THR H H 42 8.040 8.641 -0.601 1
1 411 . 8 1 1 A 42 42 THR HA H 42 4.770 5.003 -0.233 1
1 416 . 8 1 1 A 42 42 THR C C 42 175.548 175.995 -0.447 1
1 417 . 8 1 1 A 42 42 THR CA C 42 59.354 59.857 -0.503 1
1 418 . 8 1 1 A 42 42 THR CB C 42 71.538 70.974 0.564 1
1 420 . 8 1 1 A 42 42 THR N N 42 117.269 120.404 -3.135 1
1 421 . 8 1 1 A 43 43 LYS H H 43 8.841 8.826 0.015 1
1 422 . 8 1 1 A 43 43 LYS HA H 43 3.780 4.084 -0.304 1
1 428 . 8 1 1 A 43 43 LYS C C 43 177.649 178.191 -0.542 1
1 429 . 8 1 1 A 43 43 LYS CA C 43 59.948 59.196 0.752 1
1 430 . 8 1 1 A 43 43 LYS CB C 43 32.318 31.835 0.483 1
1 432 . 8 1 1 A 43 43 LYS N N 43 120.046 125.384 -5.338 1
1 433 . 8 1 1 A 44 44 GLU H H 44 8.565 8.360 0.205 1
1 434 . 8 1 1 A 44 44 GLU HA H 44 4.200 4.113 0.087 1
1 438 . 8 1 1 A 44 44 GLU C C 44 177.413 178.930 -1.517 1
1 439 . 8 1 1 A 44 44 GLU CA C 44 58.761 59.664 -0.903 1
1 440 . 8 1 1 A 44 44 GLU CB C 44 28.613 29.405 -0.792 1
1 441 . 8 1 1 A 44 44 GLU N N 44 117.096 119.258 -2.162 1
1 442 . 8 1 1 A 45 45 GLN H H 45 7.667 9.174 -1.507 1
1 443 . 8 1 1 A 45 45 GLN HA H 45 4.230 4.085 0.145 1
1 446 . 8 1 1 A 45 45 GLN C C 45 174.680 176.564 -1.884 1
1 447 . 8 1 1 A 45 45 GLN CA C 45 56.637 58.715 -2.078 1
1 448 . 8 1 1 A 45 45 GLN CB C 45 30.099 28.724 1.375 1
1 449 . 8 1 1 A 45 45 GLN N N 45 116.509 119.047 -2.538 1
1 450 . 8 1 1 A 46 46 ILE H H 46 7.595 7.554 0.041 1
1 451 . 8 1 1 A 46 46 ILE HA H 46 4.385 4.095 0.290 1
1 461 . 8 1 1 A 46 46 ILE C C 46 174.202 175.558 -1.356 1
1 462 . 8 1 1 A 46 46 ILE CA C 46 60.775 62.595 -1.820 1
1 463 . 8 1 1 A 46 46 ILE CB C 46 38.470 38.185 0.285 1
1 467 . 8 1 1 A 46 46 ILE N N 46 120.018 120.315 -0.297 1
1 468 . 8 1 1 A 47 47 SER H H 47 7.948 8.592 -0.644 1
1 469 . 8 1 1 A 47 47 SER HA H 47 4.915 5.091 -0.176 1
1 472 . 8 1 1 A 47 47 SER C C 47 172.724 173.659 -0.935 1
1 473 . 8 1 1 A 47 47 SER CA C 47 57.092 58.352 -1.260 1
1 474 . 8 1 1 A 47 47 SER CB C 47 64.837 63.005 1.832 1
1 475 . 8 1 1 A 47 47 SER N N 47 120.935 125.285 -4.350 1
1 476 . 8 1 1 A 48 48 LEU H H 48 8.665 9.004 -0.339 1
1 477 . 8 1 1 A 48 48 LEU HA H 48 5.707 5.362 0.345 1
1 487 . 8 1 1 A 48 48 LEU C C 48 177.942 175.996 1.946 1
1 488 . 8 1 1 A 48 48 LEU CA C 48 53.244 53.872 -0.628 1
1 489 . 8 1 1 A 48 48 LEU CB C 48 44.148 43.165 0.983 1
1 493 . 8 1 1 A 48 48 LEU N N 48 124.499 126.589 -2.090 1
1 494 . 8 1 1 A 49 49 TRP H H 49 9.205 8.802 0.403 1
1 495 . 8 1 1 A 49 49 TRP HA H 49 5.819 5.453 0.366 1
1 498 . 8 1 1 A 49 49 TRP C C 49 172.596 173.408 -0.812 1
1 499 . 8 1 1 A 49 49 TRP CA C 49 57.390 56.293 1.097 1
1 500 . 8 1 1 A 49 49 TRP CB C 49 32.341 32.608 -0.267 1
1 501 . 8 1 1 A 49 49 TRP N N 49 122.571 121.915 0.656 1
1 503 . 8 1 1 A 50 50 ILE H H 50 8.559 9.453 -0.894 1
1 504 . 8 1 1 A 50 50 ILE HA H 50 4.570 4.611 -0.041 1
1 514 . 8 1 1 A 50 50 ILE C C 50 174.443 174.115 0.328 1
1 515 . 8 1 1 A 50 50 ILE CA C 50 59.706 59.625 0.081 1
1 516 . 8 1 1 A 50 50 ILE CB C 50 42.605 40.831 1.774 1
1 520 . 8 1 1 A 50 50 ILE N N 50 113.357 124.424 -11.067 1
1 521 . 8 1 1 A 51 51 ASP H H 51 8.497 8.774 -0.277 1
1 522 . 8 1 1 A 51 51 ASP HA H 51 5.226 5.212 0.014 1
1 525 . 8 1 1 A 51 51 ASP C C 51 177.162 175.901 1.261 1
1 526 . 8 1 1 A 51 51 ASP CA C 51 52.584 53.543 -0.959 1
1 527 . 8 1 1 A 51 51 ASP CB C 51 43.343 42.038 1.305 1
1 528 . 8 1 1 A 51 51 ASP N N 51 122.696 126.415 -3.719 1
1 529 . 8 1 1 A 52 52 ALA H H 52 9.021 8.738 0.283 1
1 530 . 8 1 1 A 52 52 ALA HA H 52 4.410 4.607 -0.197 1
1 534 . 8 1 1 A 52 52 ALA C C 52 174.841 177.365 -2.524 1
1 535 . 8 1 1 A 52 52 ALA CA C 52 51.807 51.483 0.324 1
1 536 . 8 1 1 A 52 52 ALA CB C 52 18.117 19.041 -0.924 1
1 537 . 8 1 1 A 52 52 ALA N N 52 131.046 127.341 3.705 1
1 538 . 8 1 1 A 53 53 THR H H 53 8.250 7.623 0.627 1
1 539 . 8 1 1 A 53 53 THR HA H 53 3.880 4.339 -0.459 1
1 544 . 8 1 1 A 53 53 THR C C 53 177.316 175.213 2.103 1
1 545 . 8 1 1 A 53 53 THR CA C 53 66.288 63.221 3.067 1
1 546 . 8 1 1 A 53 53 THR CB C 53 68.896 68.519 0.377 1
1 548 . 8 1 1 A 53 53 THR N N 53 116.426 112.253 4.173 1
1 549 . 8 1 1 A 54 54 GLY H H 54 9.304 8.833 0.471 1
1 550 . 8 1 1 A 54 54 GLY HA2 H 54 3.950 3.863 0.087 1
1 551 . 8 1 1 A 54 54 GLY HA3 H 54 3.770 3.866 -0.096 1
1 552 . 8 1 1 A 54 54 GLY C C 54 174.142 174.379 -0.237 1
1 553 . 8 1 1 A 54 54 GLY CA C 54 45.832 46.191 -0.359 1
1 554 . 8 1 1 A 54 54 GLY N N 54 115.462 114.248 1.214 1
1 555 . 8 1 1 A 55 55 LYS H H 55 7.588 7.338 0.250 1
1 556 . 8 1 1 A 55 55 LYS HA H 55 4.067 4.494 -0.427 1
1 565 . 8 1 1 A 55 55 LYS C C 55 174.805 175.926 -1.121 1
1 566 . 8 1 1 A 55 55 LYS CA C 55 54.856 55.474 -0.618 1
1 567 . 8 1 1 A 55 55 LYS CB C 55 32.971 33.465 -0.494 1
1 571 . 8 1 1 A 55 55 LYS N N 55 120.231 121.480 -1.249 1
1 572 . 8 1 1 A 56 56 ALA H H 56 7.619 8.426 -0.807 1
1 573 . 8 1 1 A 56 56 ALA HA H 56 4.620 4.577 0.043 1
1 577 . 8 1 1 A 56 56 ALA C C 56 177.034 177.729 -0.695 1
1 578 . 8 1 1 A 56 56 ALA CA C 56 49.962 51.416 -1.454 1
1 579 . 8 1 1 A 56 56 ALA CB C 56 21.814 20.625 1.189 1
1 580 . 8 1 1 A 56 56 ALA N N 56 121.951 130.159 -8.208 1
1 581 . 8 1 1 A 57 57 VAL H H 57 7.896 8.459 -0.563 1
1 582 . 8 1 1 A 57 57 VAL HA H 57 3.520 3.857 -0.337 1
1 590 . 8 1 1 A 57 57 VAL C C 57 175.691 176.514 -0.823 1
1 591 . 8 1 1 A 57 57 VAL CA C 57 64.652 64.387 0.265 1
1 592 . 8 1 1 A 57 57 VAL CB C 57 32.644 32.022 0.622 1
1 595 . 8 1 1 A 57 57 VAL N N 57 116.475 119.343 -2.868 1
1 596 . 8 1 1 A 58 58 GLY H H 58 8.429 8.624 -0.195 1
1 597 . 8 1 1 A 58 58 GLY HA2 H 58 4.442 4.124 0.318 1
1 598 . 8 1 1 A 58 58 GLY HA3 H 58 3.739 4.171 -0.432 1
1 599 . 8 1 1 A 58 58 GLY C C 58 170.877 172.620 -1.743 1
1 600 . 8 1 1 A 58 58 GLY CA C 58 43.207 44.521 -1.314 1
1 601 . 8 1 1 A 58 58 GLY N N 58 113.209 111.970 1.239 1
1 602 . 8 1 1 A 59 59 GLU H H 59 8.017 8.240 -0.223 1
1 603 . 8 1 1 A 59 59 GLU HA H 59 4.690 5.186 -0.496 1
1 606 . 8 1 1 A 59 59 GLU C C 59 175.309 175.167 0.142 1
1 607 . 8 1 1 A 59 59 GLU CA C 59 55.370 54.877 0.493 1
1 608 . 8 1 1 A 59 59 GLU CB C 59 32.114 32.737 -0.623 1
1 610 . 8 1 1 A 59 59 GLU N N 59 119.976 122.142 -2.166 1
1 611 . 8 1 1 A 60 60 HIS H H 60 9.001 8.831 0.170 1
1 612 . 8 1 1 A 60 60 HIS HA H 60 4.637 4.796 -0.159 1
1 615 . 8 1 1 A 60 60 HIS C C 60 173.585 173.751 -0.166 1
1 616 . 8 1 1 A 60 60 HIS CA C 60 55.364 54.823 0.541 1
1 617 . 8 1 1 A 60 60 HIS CB C 60 33.699 33.339 0.360 1
1 618 . 8 1 1 A 60 60 HIS N N 60 125.266 120.764 4.502 1
1 619 . 8 1 1 A 61 61 THR H H 61 8.712 8.703 0.009 1
1 620 . 8 1 1 A 61 61 THR HA H 61 5.333 4.641 0.692 1
1 625 . 8 1 1 A 61 61 THR C C 61 175.155 173.740 1.415 1
1 626 . 8 1 1 A 61 61 THR CA C 61 62.600 62.260 0.340 1
1 627 . 8 1 1 A 61 61 THR CB C 61 69.914 69.734 0.180 1
1 628 . 8 1 1 A 61 61 THR N N 61 120.973 117.834 3.139 1
1 629 . 8 1 1 A 62 62 VAL H H 62 9.313 9.116 0.197 1
1 630 . 8 1 1 A 62 62 VAL HA H 62 4.910 4.836 0.074 1
1 638 . 8 1 1 A 62 62 VAL C C 62 173.545 174.873 -1.328 1
1 639 . 8 1 1 A 62 62 VAL CA C 62 58.734 59.056 -0.322 1
1 640 . 8 1 1 A 62 62 VAL CB C 62 36.638 35.299 1.339 1
1 643 . 8 1 1 A 62 62 VAL N N 62 120.591 120.891 -0.300 1
1 644 . 8 1 1 A 63 63 LYS H H 63 7.815 8.334 -0.519 1
1 645 . 8 1 1 A 63 63 LYS HA H 63 4.552 4.483 0.069 1
1 650 . 8 1 1 A 63 63 LYS C C 63 175.805 175.896 -0.091 1
1 651 . 8 1 1 A 63 63 LYS CA C 63 54.680 56.107 -1.427 1
1 652 . 8 1 1 A 63 63 LYS CB C 63 32.896 33.127 -0.231 1
1 656 . 8 1 1 A 63 63 LYS N N 63 118.768 124.099 -5.331 1
1 657 . 8 1 1 A 64 64 ILE H H 64 8.349 8.902 -0.553 1
1 658 . 8 1 1 A 64 64 ILE HA H 64 3.870 4.407 -0.537 1
1 668 . 8 1 1 A 64 64 ILE C C 64 175.894 175.942 -0.048 1
1 669 . 8 1 1 A 64 64 ILE CA C 64 61.324 60.483 0.841 1
1 670 . 8 1 1 A 64 64 ILE CB C 64 39.638 38.225 1.413 1
1 674 . 8 1 1 A 64 64 ILE N N 64 121.703 124.141 -2.438 1
1 675 . 8 1 1 A 65 65 TYR H H 65 8.491 8.870 -0.379 1
1 676 . 8 1 1 A 65 65 TYR CA C 65 57.180 61.825 -4.645 1
1 677 . 8 1 1 A 65 65 TYR CB C 65 37.490 38.816 -1.326 1
1 678 . 8 1 1 A 65 65 TYR N N 65 125.077 128.787 -3.710 1
1 680 . 8 1 1 A 66 66 TRP C C 66 175.586 174.549 1.037 1
1 681 . 8 1 1 A 66 66 TRP CB C 66 33.607 27.488 6.119 1
1 683 . 8 1 1 A 67 67 GLN H H 67 9.048 8.643 0.405 1
1 684 . 8 1 1 A 67 67 GLN HA H 67 4.751 4.778 -0.027 1
1 687 . 8 1 1 A 67 67 GLN C C 67 174.057 174.365 -0.308 1
1 688 . 8 1 1 A 67 67 GLN CA C 67 56.338 54.645 1.693 1
1 689 . 8 1 1 A 67 67 GLN CB C 67 32.401 32.483 -0.082 1
1 690 . 8 1 1 A 67 67 GLN N N 67 119.746 123.378 -3.632 1
1 691 . 8 1 1 A 68 68 LEU H H 68 8.898 8.919 -0.021 1
1 692 . 8 1 1 A 68 68 LEU HA H 68 5.160 5.046 0.114 1
1 702 . 8 1 1 A 68 68 LEU CA C 68 51.902 51.049 0.853 1
1 703 . 8 1 1 A 68 68 LEU CB C 68 45.191 44.423 0.768 1
1 707 . 8 1 1 A 68 68 LEU N N 68 126.170 123.358 2.812 1
1 708 . 8 1 1 A 69 69 PRO HA H 69 4.511 4.600 -0.089 1
1 715 . 8 1 1 A 69 69 PRO C C 69 175.054 176.122 -1.068 1
1 716 . 8 1 1 A 69 69 PRO CA C 69 62.538 63.765 -1.227 1
1 717 . 8 1 1 A 69 69 PRO CB C 69 32.297 32.810 -0.513 1
1 720 . 8 1 1 A 70 70 ALA H H 70 8.307 7.879 0.428 1
1 721 . 8 1 1 A 70 70 ALA HA H 70 4.180 4.432 -0.252 1
1 725 . 8 1 1 A 70 70 ALA C C 70 178.404 177.910 0.494 1
1 726 . 8 1 1 A 70 70 ALA CA C 70 53.532 51.955 1.577 1
1 727 . 8 1 1 A 70 70 ALA CB C 70 18.613 20.503 -1.890 1
1 728 . 8 1 1 A 70 70 ALA N N 70 123.217 124.135 -0.918 1
1 729 . 8 1 1 A 71 71 GLY H H 71 8.667 8.519 0.148 1
1 730 . 8 1 1 A 71 71 GLY HA2 H 71 4.230 4.143 0.087 1
1 731 . 8 1 1 A 71 71 GLY HA3 H 71 3.650 4.146 -0.496 1
1 732 . 8 1 1 A 71 71 GLY C C 71 173.707 174.471 -0.764 1
1 733 . 8 1 1 A 71 71 GLY CA C 71 45.049 46.044 -0.995 1
1 734 . 8 1 1 A 71 71 GLY N N 71 108.062 108.354 -0.292 1
1 735 . 8 1 1 A 72 72 ILE H H 72 7.448 7.804 -0.356 1
1 736 . 8 1 1 A 72 72 ILE HA H 72 4.569 4.273 0.296 1
1 745 . 8 1 1 A 72 72 ILE C C 72 174.450 175.083 -0.633 1
1 746 . 8 1 1 A 72 72 ILE CA C 72 60.281 60.804 -0.523 1
1 747 . 8 1 1 A 72 72 ILE CB C 72 37.826 40.041 -2.215 1
1 751 . 8 1 1 A 72 72 ILE N N 72 118.695 117.405 1.290 1
1 752 . 8 1 1 A 73 73 GLU H H 73 8.767 8.647 0.120 1
1 755 . 8 1 1 A 73 73 GLU C C 73 175.210 175.830 -0.620 1
1 756 . 8 1 1 A 73 73 GLU CA C 73 54.306 54.622 -0.316 1
1 757 . 8 1 1 A 73 73 GLU CB C 73 32.927 32.779 0.148 1
1 758 . 8 1 1 A 73 73 GLU N N 73 126.361 121.125 5.236 1
1 759 . 8 1 1 A 74 74 MET H H 74 8.618 9.139 -0.521 1
1 760 . 8 1 1 A 74 74 MET HA H 74 4.307 4.505 -0.198 1
1 764 . 8 1 1 A 74 74 MET C C 74 175.176 175.699 -0.523 1
1 765 . 8 1 1 A 74 74 MET CA C 74 53.791 54.291 -0.500 1
1 766 . 8 1 1 A 74 74 MET CB C 74 31.127 31.735 -0.608 1
1 768 . 8 1 1 A 74 74 MET N N 74 124.594 123.971 0.623 1
1 769 . 8 1 1 A 75 75 VAL H H 75 8.679 8.348 0.331 1
1 770 . 8 1 1 A 75 75 VAL HA H 75 3.922 3.978 -0.056 1
1 778 . 8 1 1 A 75 75 VAL C C 75 176.056 175.845 0.211 1
1 779 . 8 1 1 A 75 75 VAL CA C 75 64.246 63.782 0.464 1
1 780 . 8 1 1 A 75 75 VAL CB C 75 32.577 32.539 0.038 1
1 783 . 8 1 1 A 75 75 VAL N N 75 128.728 126.866 1.862 1
1 784 . 8 1 1 A 76 76 SER H H 76 7.610 7.828 -0.218 1
1 785 . 8 1 1 A 76 76 SER HA H 76 4.641 4.737 -0.096 1
1 787 . 8 1 1 A 76 76 SER C C 76 171.007 171.770 -0.763 1
1 788 . 8 1 1 A 76 76 SER CA C 76 57.618 56.780 0.838 1
1 789 . 8 1 1 A 76 76 SER CB C 76 65.001 65.654 -0.653 1
1 790 . 8 1 1 A 76 76 SER N N 76 112.117 112.192 -0.075 1
1 791 . 8 1 1 A 77 77 ILE H H 77 8.019 9.016 -0.997 1
1 792 . 8 1 1 A 77 77 ILE HA H 77 4.790 4.760 0.030 1
1 802 . 8 1 1 A 77 77 ILE CA C 77 57.476 57.765 -0.289 1
1 803 . 8 1 1 A 77 77 ILE CB C 77 41.550 39.895 1.655 1
1 806 . 8 1 1 A 77 77 ILE N N 77 124.876 124.254 0.622 1
1 807 . 8 1 1 A 78 78 PRO HA H 78 4.662 4.800 -0.138 1
1 814 . 8 1 1 A 78 78 PRO C C 78 176.687 176.145 0.542 1
1 815 . 8 1 1 A 78 78 PRO CA C 78 62.854 62.188 0.666 1
1 816 . 8 1 1 A 78 78 PRO CB C 78 36.960 32.445 4.515 1
1 819 . 8 1 1 A 79 79 ASP H H 79 7.912 8.577 -0.665 1
1 820 . 8 1 1 A 79 79 ASP HA H 79 4.980 5.621 -0.641 1
1 823 . 8 1 1 A 79 79 ASP C C 79 175.812 174.309 1.503 1
1 824 . 8 1 1 A 79 79 ASP CA C 79 54.046 51.847 2.199 1
1 825 . 8 1 1 A 79 79 ASP CB C 79 41.269 45.014 -3.745 1
1 826 . 8 1 1 A 79 79 ASP N N 79 118.235 117.764 0.471 1
1 827 . 8 1 1 A 80 80 VAL H H 80 8.641 8.303 0.338 1
1 828 . 8 1 1 A 80 80 VAL HA H 80 4.623 4.787 -0.164 1
1 836 . 8 1 1 A 80 80 VAL C C 80 172.960 173.151 -0.191 1
1 837 . 8 1 1 A 80 80 VAL CA C 80 60.561 60.081 0.480 1
1 838 . 8 1 1 A 80 80 VAL CB C 80 36.112 35.785 0.327 1
1 841 . 8 1 1 A 80 80 VAL N N 80 116.881 119.401 -2.520 1
1 842 . 8 1 1 A 81 81 THR H H 81 8.304 8.519 -0.215 1
1 843 . 8 1 1 A 81 81 THR HA H 81 5.822 5.035 0.787 1
1 848 . 8 1 1 A 81 81 THR C C 81 173.431 172.894 0.537 1
1 849 . 8 1 1 A 81 81 THR CA C 81 61.014 60.786 0.228 1
1 850 . 8 1 1 A 81 81 THR CB C 81 70.663 72.025 -1.362 1
1 852 . 8 1 1 A 81 81 THR N N 81 123.670 121.683 1.987 1
1 853 . 8 1 1 A 82 82 TYR H H 82 9.293 8.379 0.914 1
1 854 . 8 1 1 A 82 82 TYR HA H 82 5.040 5.144 -0.104 1
1 857 . 8 1 1 A 82 82 TYR C C 82 172.210 172.303 -0.093 1
1 858 . 8 1 1 A 82 82 TYR CA C 82 55.640 56.163 -0.523 1
1 859 . 8 1 1 A 82 82 TYR CB C 82 41.461 40.450 1.011 1
1 860 . 8 1 1 A 82 82 TYR N N 82 124.984 121.173 3.811 1
1 861 . 8 1 1 A 83 83 THR H H 83 8.774 9.052 -0.278 1
1 862 . 8 1 1 A 83 83 THR HA H 83 5.150 5.503 -0.353 1
1 864 . 8 1 1 A 83 83 THR C C 83 173.942 173.727 0.215 1
1 865 . 8 1 1 A 83 83 THR CA C 83 61.324 60.968 0.356 1
1 866 . 8 1 1 A 83 83 THR CB C 83 71.117 71.887 -0.770 1
1 867 . 8 1 1 A 83 83 THR N N 83 115.669 114.655 1.014 1
1 868 . 8 1 1 A 84 84 LEU H H 84 8.859 8.456 0.403 1
1 869 . 8 1 1 A 84 84 LEU HA H 84 5.400 5.304 0.096 1
1 879 . 8 1 1 A 84 84 LEU C C 84 176.575 176.255 0.320 1
1 880 . 8 1 1 A 84 84 LEU CA C 84 52.755 53.680 -0.925 1
1 881 . 8 1 1 A 84 84 LEU CB C 84 44.443 45.573 -1.130 1
1 885 . 8 1 1 A 84 84 LEU N N 84 125.146 125.014 0.132 1
1 886 . 8 1 1 A 85 85 LYS H H 85 9.505 8.686 0.819 1
1 887 . 8 1 1 A 85 85 LYS HA H 85 4.793 5.003 -0.210 1
1 893 . 8 1 1 A 85 85 LYS C C 85 173.593 175.228 -1.635 1
1 894 . 8 1 1 A 85 85 LYS CA C 85 54.002 54.443 -0.441 1
1 895 . 8 1 1 A 85 85 LYS CB C 85 36.173 35.599 0.574 1
1 899 . 8 1 1 A 85 85 LYS N N 85 122.212 120.586 1.626 1
1 900 . 8 1 1 A 86 86 ALA H H 86 8.714 8.701 0.013 1
1 901 . 8 1 1 A 86 86 ALA HA H 86 4.489 4.246 0.243 1
1 905 . 8 1 1 A 86 86 ALA C C 86 178.091 177.108 0.983 1
1 906 . 8 1 1 A 86 86 ALA CA C 86 52.548 52.700 -0.152 1
1 907 . 8 1 1 A 86 86 ALA CB C 86 18.787 19.190 -0.403 1
1 908 . 8 1 1 A 86 86 ALA N N 86 123.336 125.715 -2.379 1
1 909 . 8 1 1 A 87 87 LYS H H 87 8.242 8.701 -0.459 1
1 910 . 8 1 1 A 87 87 LYS HA H 87 3.963 4.337 -0.374 1
1 917 . 8 1 1 A 87 87 LYS C C 87 176.384 176.650 -0.266 1
1 918 . 8 1 1 A 87 87 LYS CA C 87 57.672 55.000 2.672 1
1 919 . 8 1 1 A 87 87 LYS CB C 87 33.298 33.532 -0.234 1
1 922 . 8 1 1 A 87 87 LYS N N 87 122.855 122.256 0.599 1
1 923 . 8 1 1 A 88 88 GLU H H 88 8.485 8.890 -0.405 1
1 924 . 8 1 1 A 88 88 GLU HA H 88 4.305 3.956 0.349 1
1 926 . 8 1 1 A 88 88 GLU C C 88 175.437 175.081 0.356 1
1 927 . 8 1 1 A 88 88 GLU CA C 88 55.863 57.262 -1.399 1
1 928 . 8 1 1 A 88 88 GLU CB C 88 30.831 28.163 2.668 1
1 929 . 8 1 1 A 88 88 GLU N N 88 122.851 120.877 1.974 1
1 930 . 8 1 1 A 89 89 ASP H H 89 8.522 8.246 0.276 1
1 931 . 8 1 1 A 89 89 ASP HA H 89 4.840 4.865 -0.025 1
1 934 . 8 1 1 A 89 89 ASP CA C 89 52.036 52.318 -0.282 1
1 935 . 8 1 1 A 89 89 ASP CB C 89 41.551 40.457 1.094 1
1 936 . 8 1 1 A 89 89 ASP N N 89 123.882 121.110 2.772 1
1 937 . 8 1 1 A 90 90 PRO HA H 90 4.387 4.385 0.002 1
1 942 . 8 1 1 A 90 90 PRO C C 90 177.292 178.327 -1.035 1
1 943 . 8 1 1 A 90 90 PRO CA C 90 63.694 65.224 -1.530 1
1 944 . 8 1 1 A 90 90 PRO CB C 90 32.270 31.912 0.358 1
1 947 . 8 1 1 A 91 91 LEU H H 91 8.340 7.957 0.383 1
1 948 . 8 1 1 A 91 91 LEU HA H 91 4.230 4.326 -0.096 1
1 958 . 8 1 1 A 91 91 LEU C C 91 177.668 176.748 0.920 1
1 959 . 8 1 1 A 91 91 LEU CA C 91 55.381 56.205 -0.824 1
1 960 . 8 1 1 A 91 91 LEU CB C 91 41.733 42.637 -0.904 1
1 964 . 8 1 1 A 91 91 LEU N N 91 120.251 118.097 2.154 1
1 965 . 8 1 1 A 92 92 GLU H H 92 7.977 8.221 -0.244 1
1 966 . 8 1 1 A 92 92 GLU C C 92 176.310 175.678 0.632 1
1 967 . 8 1 1 A 92 92 GLU CA C 92 56.745 57.288 -0.543 1
1 968 . 8 1 1 A 92 92 GLU CB C 92 30.187 28.830 1.357 1
1 969 . 8 1 1 A 92 92 GLU N N 92 120.217 119.374 0.843 1
1 970 . 8 1 1 A 93 93 HIS H H 93 8.242 8.778 -0.536 1
1 972 . 8 1 1 A 93 93 HIS C C 93 173.935 174.877 -0.942 1
1 973 . 8 1 1 A 93 93 HIS CA C 93 55.918 56.987 -1.069 1
1 974 . 8 1 1 A 93 93 HIS CB C 93 29.960 29.477 0.483 1
1 975 . 8 1 1 A 93 93 HIS N N 93 119.107 126.951 -7.844 1
1 976 . 8 1 1 A 94 94 HIS H H 94 8.164 8.400 -0.236 1
1 977 . 8 1 1 A 94 94 HIS CA C 94 57.235 56.742 0.493 1
1 978 . 8 1 1 A 94 94 HIS CB C 94 30.225 28.545 1.680 1
1 1 . 9 1 1 A 6 6 ASP C C 6 174.750 176.339 -1.589 1
1 2 . 9 1 1 A 6 6 ASP CA C 6 55.079 57.075 -1.996 1
1 3 . 9 1 1 A 6 6 ASP CB C 6 38.799 41.033 -2.234 1
1 4 . 9 1 1 A 7 7 LEU H H 7 9.403 8.013 1.390 1
1 14 . 9 1 1 A 7 7 LEU CA C 7 53.136 51.852 1.284 1
1 15 . 9 1 1 A 7 7 LEU CB C 7 41.601 43.153 -1.552 1
1 18 . 9 1 1 A 7 7 LEU N N 7 123.103 120.597 2.506 1
1 19 . 9 1 1 A 8 8 PRO HA H 8 4.880 4.903 -0.023 1
1 21 . 9 1 1 A 8 8 PRO C C 8 175.617 176.403 -0.786 1
1 22 . 9 1 1 A 8 8 PRO CA C 8 61.559 62.189 -0.630 1
1 23 . 9 1 1 A 8 8 PRO CB C 8 32.973 31.818 1.155 1
1 24 . 9 1 1 A 9 9 ILE H H 9 8.721 8.502 0.219 1
1 25 . 9 1 1 A 9 9 ILE HA H 9 4.156 4.593 -0.437 1
1 35 . 9 1 1 A 9 9 ILE C C 9 175.726 175.496 0.230 1
1 36 . 9 1 1 A 9 9 ILE CA C 9 60.104 60.966 -0.862 1
1 37 . 9 1 1 A 9 9 ILE CB C 9 41.286 39.105 2.181 1
1 40 . 9 1 1 A 9 9 ILE N N 9 118.531 123.893 -5.362 1
1 41 . 9 1 1 A 10 10 VAL H H 10 8.229 8.553 -0.324 1
1 42 . 9 1 1 A 10 10 VAL HA H 10 4.146 4.846 -0.700 1
1 50 . 9 1 1 A 10 10 VAL C C 10 174.221 175.081 -0.860 1
1 51 . 9 1 1 A 10 10 VAL CA C 10 62.271 60.976 1.295 1
1 52 . 9 1 1 A 10 10 VAL CB C 10 33.507 34.287 -0.780 1
1 55 . 9 1 1 A 10 10 VAL N N 10 126.782 125.069 1.713 1
1 56 . 9 1 1 A 11 11 LEU H H 11 8.533 9.135 -0.602 1
1 57 . 9 1 1 A 11 11 LEU HA H 11 4.615 5.392 -0.777 1
1 67 . 9 1 1 A 11 11 LEU C C 11 176.048 176.313 -0.265 1
1 68 . 9 1 1 A 11 11 LEU CA C 11 54.172 53.745 0.427 1
1 69 . 9 1 1 A 11 11 LEU CB C 11 42.865 46.054 -3.189 1
1 72 . 9 1 1 A 11 11 LEU N N 11 128.336 127.345 0.991 1
1 73 . 9 1 1 A 12 12 ARG H H 12 9.076 8.784 0.292 1
1 74 . 9 1 1 A 12 12 ARG HA H 12 4.620 4.587 0.033 1
1 81 . 9 1 1 A 12 12 ARG C C 12 175.198 176.812 -1.614 1
1 82 . 9 1 1 A 12 12 ARG CA C 12 55.178 56.862 -1.684 1
1 83 . 9 1 1 A 12 12 ARG CB C 12 33.105 32.212 0.893 1
1 86 . 9 1 1 A 12 12 ARG N N 12 126.410 120.053 6.357 1
1 87 . 9 1 1 A 13 13 ASN H H 13 8.914 8.794 0.120 1
1 88 . 9 1 1 A 13 13 ASN HA H 13 4.167 4.692 -0.525 1
1 91 . 9 1 1 A 13 13 ASN C C 13 174.200 175.335 -1.135 1
1 92 . 9 1 1 A 13 13 ASN CA C 13 54.189 54.997 -0.808 1
1 93 . 9 1 1 A 13 13 ASN CB C 13 37.053 37.950 -0.897 1
1 94 . 9 1 1 A 13 13 ASN N N 13 115.665 117.020 -1.355 1
1 95 . 9 1 1 A 14 14 LEU H H 14 8.096 8.197 -0.101 1
1 96 . 9 1 1 A 14 14 LEU HA H 14 4.160 4.413 -0.253 1
1 106 . 9 1 1 A 14 14 LEU CA C 14 53.789 52.251 1.538 1
1 107 . 9 1 1 A 14 14 LEU CB C 14 42.801 42.024 0.777 1
1 111 . 9 1 1 A 14 14 LEU N N 14 121.110 121.863 -0.753 1
1 112 . 9 1 1 A 15 15 PRO HA H 15 4.400 4.538 -0.138 1
1 118 . 9 1 1 A 15 15 PRO C C 15 176.937 177.393 -0.456 1
1 119 . 9 1 1 A 15 15 PRO CA C 15 63.627 63.039 0.588 1
1 120 . 9 1 1 A 15 15 PRO CB C 15 32.770 32.718 0.052 1
1 123 . 9 1 1 A 16 16 GLU H H 16 8.472 8.701 -0.229 1
1 124 . 9 1 1 A 16 16 GLU HA H 16 4.083 4.065 0.018 1
1 126 . 9 1 1 A 16 16 GLU C C 16 176.530 177.126 -0.596 1
1 127 . 9 1 1 A 16 16 GLU CA C 16 58.767 59.139 -0.372 1
1 128 . 9 1 1 A 16 16 GLU CB C 16 29.951 29.303 0.648 1
1 129 . 9 1 1 A 16 16 GLU N N 16 119.567 122.036 -2.469 1
1 130 . 9 1 1 A 17 17 ASP H H 17 8.654 7.807 0.847 1
1 131 . 9 1 1 A 17 17 ASP HA H 17 4.600 4.754 -0.154 1
1 134 . 9 1 1 A 17 17 ASP C C 17 175.057 175.025 0.032 1
1 135 . 9 1 1 A 17 17 ASP CA C 17 54.212 54.501 -0.289 1
1 136 . 9 1 1 A 17 17 ASP CB C 17 40.065 41.623 -1.558 1
1 137 . 9 1 1 A 17 17 ASP N N 17 114.516 118.338 -3.822 1
1 138 . 9 1 1 A 18 18 LEU H H 18 7.814 7.604 0.210 1
1 139 . 9 1 1 A 18 18 LEU HA H 18 5.260 4.953 0.307 1
1 149 . 9 1 1 A 18 18 LEU C C 18 174.434 174.828 -0.394 1
1 150 . 9 1 1 A 18 18 LEU CA C 18 53.620 53.890 -0.270 1
1 151 . 9 1 1 A 18 18 LEU CB C 18 46.147 46.582 -0.435 1
1 155 . 9 1 1 A 18 18 LEU N N 18 120.789 120.804 -0.015 1
1 156 . 9 1 1 A 19 19 VAL H H 19 8.931 8.501 0.430 1
1 157 . 9 1 1 A 19 19 VAL HA H 19 4.600 5.023 -0.423 1
1 165 . 9 1 1 A 19 19 VAL C C 19 175.054 173.416 1.638 1
1 166 . 9 1 1 A 19 19 VAL CA C 19 59.348 59.017 0.331 1
1 167 . 9 1 1 A 19 19 VAL CB C 19 36.380 36.300 0.080 1
1 170 . 9 1 1 A 19 19 VAL N N 19 111.130 118.651 -7.521 1
1 171 . 9 1 1 A 20 20 LEU H H 20 8.339 8.691 -0.352 1
1 172 . 9 1 1 A 20 20 LEU HA H 20 4.704 4.978 -0.274 1
1 182 . 9 1 1 A 20 20 LEU C C 20 178.790 177.549 1.241 1
1 183 . 9 1 1 A 20 20 LEU CA C 20 55.095 53.378 1.717 1
1 184 . 9 1 1 A 20 20 LEU CB C 20 42.647 44.908 -2.261 1
1 188 . 9 1 1 A 20 20 LEU N N 20 122.936 124.208 -1.272 1
1 189 . 9 1 1 A 21 21 GLU H H 21 8.851 8.824 0.027 1
1 190 . 9 1 1 A 21 21 GLU HA H 21 3.880 4.163 -0.283 1
1 194 . 9 1 1 A 21 21 GLU C C 21 175.661 176.728 -1.067 1
1 195 . 9 1 1 A 21 21 GLU CA C 21 59.434 59.248 0.186 1
1 196 . 9 1 1 A 21 21 GLU CB C 21 31.125 29.973 1.152 1
1 198 . 9 1 1 A 21 21 GLU N N 21 124.719 125.218 -0.499 1
1 199 . 9 1 1 A 22 22 LYS H H 22 7.591 7.605 -0.014 1
1 200 . 9 1 1 A 22 22 LYS HA H 22 4.760 4.575 0.185 1
1 203 . 9 1 1 A 22 22 LYS CA C 22 53.277 54.067 -0.790 1
1 204 . 9 1 1 A 22 22 LYS CB C 22 34.301 36.040 -1.739 1
1 205 . 9 1 1 A 22 22 LYS N N 22 115.055 118.137 -3.082 1
1 206 . 9 1 1 A 23 23 PRO HA H 23 4.343 4.413 -0.070 1
1 213 . 9 1 1 A 23 23 PRO C C 23 176.657 176.885 -0.228 1
1 214 . 9 1 1 A 23 23 PRO CA C 23 62.800 64.048 -1.248 1
1 215 . 9 1 1 A 23 23 PRO CB C 23 32.360 31.869 0.491 1
1 218 . 9 1 1 A 24 24 LEU H H 24 8.507 7.913 0.594 1
1 219 . 9 1 1 A 24 24 LEU HA H 24 4.460 3.904 0.556 1
1 225 . 9 1 1 A 24 24 LEU CA C 24 53.311 55.473 -2.162 1
1 226 . 9 1 1 A 24 24 LEU CB C 24 40.716 39.397 1.319 1
1 228 . 9 1 1 A 24 24 LEU N N 24 121.875 119.997 1.878 1
1 229 . 9 1 1 A 25 25 PRO HA H 25 4.560 4.470 0.090 1
1 232 . 9 1 1 A 25 25 PRO C C 25 176.019 175.762 0.257 1
1 233 . 9 1 1 A 25 25 PRO CA C 25 62.448 62.498 -0.050 1
1 234 . 9 1 1 A 25 25 PRO CB C 25 32.035 29.255 2.780 1
1 235 . 9 1 1 A 26 26 GLU H H 26 7.828 9.971 -2.143 1
1 236 . 9 1 1 A 26 26 GLU HA H 26 4.790 4.630 0.160 1
1 239 . 9 1 1 A 26 26 GLU C C 26 178.159 175.596 2.563 1
1 240 . 9 1 1 A 26 26 GLU CA C 26 55.700 55.631 0.069 1
1 241 . 9 1 1 A 26 26 GLU CB C 26 30.291 30.227 0.064 1
1 242 . 9 1 1 A 26 26 GLU N N 26 117.053 122.950 -5.897 1
1 243 . 9 1 1 A 27 27 VAL H H 27 8.863 8.542 0.321 1
1 244 . 9 1 1 A 27 27 VAL HA H 27 4.830 4.738 0.092 1
1 252 . 9 1 1 A 27 27 VAL C C 27 174.041 174.230 -0.189 1
1 253 . 9 1 1 A 27 27 VAL CA C 27 59.788 60.696 -0.908 1
1 254 . 9 1 1 A 27 27 VAL CB C 27 35.937 35.929 0.008 1
1 257 . 9 1 1 A 27 27 VAL N N 27 114.437 124.381 -9.944 1
1 258 . 9 1 1 A 28 28 SER H H 28 7.870 8.644 -0.774 1
1 259 . 9 1 1 A 28 28 SER HA H 28 5.360 4.955 0.405 1
1 261 . 9 1 1 A 28 28 SER CA C 28 55.629 56.656 -1.027 1
1 262 . 9 1 1 A 28 28 SER CB C 28 65.215 64.924 0.291 1
1 263 . 9 1 1 A 28 28 SER N N 28 114.263 122.612 -8.349 1
1 264 . 9 1 1 A 29 29 VAL HA H 29 4.960 4.874 0.086 1
1 272 . 9 1 1 A 29 29 VAL C C 29 174.289 175.921 -1.632 1
1 273 . 9 1 1 A 29 29 VAL CA C 29 58.515 59.823 -1.308 1
1 274 . 9 1 1 A 29 29 VAL CB C 29 34.903 33.906 0.997 1
1 277 . 9 1 1 A 30 30 THR H H 30 8.579 8.584 -0.005 1
1 278 . 9 1 1 A 30 30 THR HA H 30 5.240 4.677 0.563 1
1 283 . 9 1 1 A 30 30 THR C C 30 173.452 173.891 -0.439 1
1 284 . 9 1 1 A 30 30 THR CA C 30 61.702 61.251 0.451 1
1 285 . 9 1 1 A 30 30 THR CB C 30 70.283 69.803 0.480 1
1 287 . 9 1 1 A 30 30 THR N N 30 118.278 115.305 2.973 1
1 288 . 9 1 1 A 31 31 ILE H H 31 8.919 7.606 1.313 1
1 289 . 9 1 1 A 31 31 ILE HA H 31 5.138 4.197 0.941 1
1 299 . 9 1 1 A 31 31 ILE C C 31 173.712 175.015 -1.303 1
1 300 . 9 1 1 A 31 31 ILE CA C 31 59.199 60.276 -1.077 1
1 301 . 9 1 1 A 31 31 ILE CB C 31 41.425 39.525 1.900 1
1 305 . 9 1 1 A 31 31 ILE N N 31 119.853 122.894 -3.041 1
1 306 . 9 1 1 A 32 32 ARG H H 32 8.715 8.740 -0.025 1
1 307 . 9 1 1 A 32 32 ARG C C 32 173.382 175.935 -2.553 1
1 308 . 9 1 1 A 32 32 ARG CA C 32 55.308 54.117 1.191 1
1 309 . 9 1 1 A 32 32 ARG CB C 32 34.457 33.365 1.092 1
1 310 . 9 1 1 A 32 32 ARG N N 32 118.433 124.977 -6.544 1
1 311 . 9 1 1 A 33 33 ALA H H 33 7.873 8.658 -0.785 1
1 312 . 9 1 1 A 33 33 ALA HA H 33 4.510 4.335 0.175 1
1 316 . 9 1 1 A 33 33 ALA C C 33 175.205 176.522 -1.317 1
1 317 . 9 1 1 A 33 33 ALA CA C 33 51.365 50.736 0.629 1
1 318 . 9 1 1 A 33 33 ALA CB C 33 23.433 20.171 3.262 1
1 319 . 9 1 1 A 33 33 ALA N N 33 123.018 127.713 -4.695 1
1 320 . 9 1 1 A 34 34 TYR H H 34 8.171 8.618 -0.447 1
1 321 . 9 1 1 A 34 34 TYR HA H 34 4.860 4.592 0.268 1
1 324 . 9 1 1 A 34 34 TYR CA C 34 56.646 57.430 -0.784 1
1 325 . 9 1 1 A 34 34 TYR CB C 34 36.668 38.898 -2.230 1
1 326 . 9 1 1 A 34 34 TYR N N 34 118.901 117.502 1.399 1
1 327 . 9 1 1 A 35 35 PRO HA H 35 4.100 4.325 -0.225 1
1 330 . 9 1 1 A 35 35 PRO C C 35 177.893 179.073 -1.180 1
1 331 . 9 1 1 A 35 35 PRO CA C 35 66.575 65.740 0.835 1
1 332 . 9 1 1 A 35 35 PRO CB C 35 32.036 31.866 0.170 1
1 333 . 9 1 1 A 36 36 GLU H H 36 9.144 8.326 0.818 1
1 334 . 9 1 1 A 36 36 GLU HA H 36 4.090 4.111 -0.021 1
1 337 . 9 1 1 A 36 36 GLU C C 36 178.276 179.369 -1.093 1
1 338 . 9 1 1 A 36 36 GLU CA C 36 59.597 59.669 -0.072 1
1 339 . 9 1 1 A 36 36 GLU CB C 36 28.790 29.318 -0.528 1
1 340 . 9 1 1 A 36 36 GLU N N 36 115.616 117.109 -1.493 1
1 341 . 9 1 1 A 37 37 ILE H H 37 7.227 7.799 -0.572 1
1 342 . 9 1 1 A 37 37 ILE HA H 37 4.020 3.885 0.135 1
1 352 . 9 1 1 A 37 37 ILE C C 37 178.767 178.455 0.312 1
1 353 . 9 1 1 A 37 37 ILE CA C 37 62.612 64.350 -1.738 1
1 354 . 9 1 1 A 37 37 ILE CB C 37 37.690 37.620 0.070 1
1 358 . 9 1 1 A 37 37 ILE N N 37 117.970 120.405 -2.435 1
1 359 . 9 1 1 A 38 38 LEU H H 38 7.737 7.786 -0.049 1
1 360 . 9 1 1 A 38 38 LEU HA H 38 3.860 4.216 -0.356 1
1 370 . 9 1 1 A 38 38 LEU C C 38 179.021 179.004 0.017 1
1 371 . 9 1 1 A 38 38 LEU CA C 38 57.346 56.704 0.642 1
1 372 . 9 1 1 A 38 38 LEU CB C 38 41.634 42.102 -0.468 1
1 376 . 9 1 1 A 38 38 LEU N N 38 119.122 121.556 -2.434 1
1 377 . 9 1 1 A 39 39 ASN H H 39 8.347 8.362 -0.015 1
1 378 . 9 1 1 A 39 39 ASN HA H 39 4.440 4.493 -0.053 1
1 380 . 9 1 1 A 39 39 ASN C C 39 175.797 176.781 -0.984 1
1 381 . 9 1 1 A 39 39 ASN CA C 39 55.237 56.505 -1.268 1
1 382 . 9 1 1 A 39 39 ASN CB C 39 38.282 38.948 -0.666 1
1 383 . 9 1 1 A 39 39 ASN N N 39 115.266 118.346 -3.080 1
1 384 . 9 1 1 A 40 40 ASN H H 40 7.279 8.224 -0.945 1
1 385 . 9 1 1 A 40 40 ASN HA H 40 4.842 4.762 0.080 1
1 388 . 9 1 1 A 40 40 ASN C C 40 174.085 174.238 -0.153 1
1 389 . 9 1 1 A 40 40 ASN CA C 40 52.778 52.485 0.293 1
1 390 . 9 1 1 A 40 40 ASN CB C 40 39.998 38.175 1.823 1
1 391 . 9 1 1 A 40 40 ASN N N 40 115.166 113.155 2.011 1
1 392 . 9 1 1 A 41 41 LEU H H 41 7.151 7.155 -0.004 1
1 393 . 9 1 1 A 41 41 LEU HA H 41 4.420 5.049 -0.629 1
1 403 . 9 1 1 A 41 41 LEU C C 41 176.343 174.885 1.458 1
1 404 . 9 1 1 A 41 41 LEU CA C 41 55.639 53.407 2.232 1
1 405 . 9 1 1 A 41 41 LEU CB C 41 43.186 45.112 -1.926 1
1 409 . 9 1 1 A 41 41 LEU N N 41 122.633 122.371 0.262 1
1 410 . 9 1 1 A 42 42 THR H H 42 8.040 8.673 -0.633 1
1 411 . 9 1 1 A 42 42 THR HA H 42 4.770 4.940 -0.170 1
1 416 . 9 1 1 A 42 42 THR C C 42 175.548 175.608 -0.060 1
1 417 . 9 1 1 A 42 42 THR CA C 42 59.354 59.891 -0.537 1
1 418 . 9 1 1 A 42 42 THR CB C 42 71.538 70.773 0.765 1
1 420 . 9 1 1 A 42 42 THR N N 42 117.269 120.480 -3.211 1
1 421 . 9 1 1 A 43 43 LYS H H 43 8.841 8.989 -0.148 1
1 422 . 9 1 1 A 43 43 LYS HA H 43 3.780 3.999 -0.219 1
1 428 . 9 1 1 A 43 43 LYS C C 43 177.649 178.223 -0.574 1
1 429 . 9 1 1 A 43 43 LYS CA C 43 59.948 59.539 0.409 1
1 430 . 9 1 1 A 43 43 LYS CB C 43 32.318 32.096 0.222 1
1 432 . 9 1 1 A 43 43 LYS N N 43 120.046 128.883 -8.837 1
1 433 . 9 1 1 A 44 44 GLU H H 44 8.565 8.314 0.251 1
1 434 . 9 1 1 A 44 44 GLU HA H 44 4.200 4.136 0.064 1
1 438 . 9 1 1 A 44 44 GLU C C 44 177.413 178.993 -1.580 1
1 439 . 9 1 1 A 44 44 GLU CA C 44 58.761 59.214 -0.453 1
1 440 . 9 1 1 A 44 44 GLU CB C 44 28.613 29.374 -0.761 1
1 441 . 9 1 1 A 44 44 GLU N N 44 117.096 120.203 -3.107 1
1 442 . 9 1 1 A 45 45 GLN H H 45 7.667 9.501 -1.834 1
1 443 . 9 1 1 A 45 45 GLN HA H 45 4.230 4.111 0.119 1
1 446 . 9 1 1 A 45 45 GLN C C 45 174.680 176.465 -1.785 1
1 447 . 9 1 1 A 45 45 GLN CA C 45 56.637 58.422 -1.785 1
1 448 . 9 1 1 A 45 45 GLN CB C 45 30.099 28.971 1.128 1
1 449 . 9 1 1 A 45 45 GLN N N 45 116.509 119.214 -2.705 1
1 450 . 9 1 1 A 46 46 ILE H H 46 7.595 7.528 0.067 1
1 451 . 9 1 1 A 46 46 ILE HA H 46 4.385 4.027 0.358 1
1 461 . 9 1 1 A 46 46 ILE C C 46 174.202 175.618 -1.416 1
1 462 . 9 1 1 A 46 46 ILE CA C 46 60.775 62.485 -1.710 1
1 463 . 9 1 1 A 46 46 ILE CB C 46 38.470 38.142 0.328 1
1 467 . 9 1 1 A 46 46 ILE N N 46 120.018 120.932 -0.914 1
1 468 . 9 1 1 A 47 47 SER H H 47 7.948 8.365 -0.417 1
1 469 . 9 1 1 A 47 47 SER HA H 47 4.915 5.070 -0.155 1
1 472 . 9 1 1 A 47 47 SER C C 47 172.724 173.916 -1.192 1
1 473 . 9 1 1 A 47 47 SER CA C 47 57.092 57.968 -0.876 1
1 474 . 9 1 1 A 47 47 SER CB C 47 64.837 64.158 0.679 1
1 475 . 9 1 1 A 47 47 SER N N 47 120.935 124.611 -3.676 1
1 476 . 9 1 1 A 48 48 LEU H H 48 8.665 9.043 -0.378 1
1 477 . 9 1 1 A 48 48 LEU HA H 48 5.707 5.255 0.452 1
1 487 . 9 1 1 A 48 48 LEU C C 48 177.942 175.543 2.399 1
1 488 . 9 1 1 A 48 48 LEU CA C 48 53.244 53.926 -0.682 1
1 489 . 9 1 1 A 48 48 LEU CB C 48 44.148 45.957 -1.809 1
1 493 . 9 1 1 A 48 48 LEU N N 48 124.499 125.985 -1.486 1
1 494 . 9 1 1 A 49 49 TRP H H 49 9.205 8.764 0.441 1
1 495 . 9 1 1 A 49 49 TRP HA H 49 5.819 5.098 0.721 1
1 498 . 9 1 1 A 49 49 TRP C C 49 172.596 174.350 -1.754 1
1 499 . 9 1 1 A 49 49 TRP CA C 49 57.390 57.625 -0.235 1
1 500 . 9 1 1 A 49 49 TRP CB C 49 32.341 32.823 -0.482 1
1 501 . 9 1 1 A 49 49 TRP N N 49 122.571 125.358 -2.787 1
1 503 . 9 1 1 A 50 50 ILE H H 50 8.559 8.473 0.086 1
1 504 . 9 1 1 A 50 50 ILE HA H 50 4.570 4.359 0.211 1
1 514 . 9 1 1 A 50 50 ILE C C 50 174.443 173.835 0.608 1
1 515 . 9 1 1 A 50 50 ILE CA C 50 59.706 59.744 -0.038 1
1 516 . 9 1 1 A 50 50 ILE CB C 50 42.605 39.252 3.353 1
1 520 . 9 1 1 A 50 50 ILE N N 50 113.357 127.439 -14.082 1
1 521 . 9 1 1 A 51 51 ASP H H 51 8.497 8.630 -0.133 1
1 522 . 9 1 1 A 51 51 ASP HA H 51 5.226 5.082 0.144 1
1 525 . 9 1 1 A 51 51 ASP C C 51 177.162 175.539 1.623 1
1 526 . 9 1 1 A 51 51 ASP CA C 51 52.584 52.670 -0.086 1
1 527 . 9 1 1 A 51 51 ASP CB C 51 43.343 40.513 2.830 1
1 528 . 9 1 1 A 51 51 ASP N N 51 122.696 126.742 -4.046 1
1 529 . 9 1 1 A 52 52 ALA H H 52 9.021 8.751 0.270 1
1 530 . 9 1 1 A 52 52 ALA HA H 52 4.410 4.381 0.029 1
1 534 . 9 1 1 A 52 52 ALA C C 52 174.841 176.882 -2.041 1
1 535 . 9 1 1 A 52 52 ALA CA C 52 51.807 52.138 -0.331 1
1 536 . 9 1 1 A 52 52 ALA CB C 52 18.117 18.654 -0.537 1
1 537 . 9 1 1 A 52 52 ALA N N 52 131.046 127.889 3.157 1
1 538 . 9 1 1 A 53 53 THR H H 53 8.250 7.575 0.675 1
1 539 . 9 1 1 A 53 53 THR HA H 53 3.880 4.346 -0.466 1
1 544 . 9 1 1 A 53 53 THR C C 53 177.316 174.878 2.438 1
1 545 . 9 1 1 A 53 53 THR CA C 53 66.288 61.732 4.556 1
1 546 . 9 1 1 A 53 53 THR CB C 53 68.896 69.768 -0.872 1
1 548 . 9 1 1 A 53 53 THR N N 53 116.426 112.039 4.387 1
1 549 . 9 1 1 A 54 54 GLY H H 54 9.304 8.891 0.413 1
1 550 . 9 1 1 A 54 54 GLY HA2 H 54 3.950 3.846 0.104 1
1 551 . 9 1 1 A 54 54 GLY HA3 H 54 3.770 3.849 -0.079 1
1 552 . 9 1 1 A 54 54 GLY C C 54 174.142 173.906 0.236 1
1 553 . 9 1 1 A 54 54 GLY CA C 54 45.832 45.710 0.122 1
1 554 . 9 1 1 A 54 54 GLY N N 54 115.462 112.942 2.520 1
1 555 . 9 1 1 A 55 55 LYS H H 55 7.588 7.919 -0.331 1
1 556 . 9 1 1 A 55 55 LYS HA H 55 4.067 4.235 -0.168 1
1 565 . 9 1 1 A 55 55 LYS C C 55 174.805 175.358 -0.553 1
1 566 . 9 1 1 A 55 55 LYS CA C 55 54.856 54.982 -0.126 1
1 567 . 9 1 1 A 55 55 LYS CB C 55 32.971 34.140 -1.169 1
1 571 . 9 1 1 A 55 55 LYS N N 55 120.231 120.328 -0.097 1
1 572 . 9 1 1 A 56 56 ALA H H 56 7.619 8.087 -0.468 1
1 573 . 9 1 1 A 56 56 ALA HA H 56 4.620 4.672 -0.052 1
1 577 . 9 1 1 A 56 56 ALA C C 56 177.034 176.167 0.867 1
1 578 . 9 1 1 A 56 56 ALA CA C 56 49.962 51.163 -1.201 1
1 579 . 9 1 1 A 56 56 ALA CB C 56 21.814 22.492 -0.678 1
1 580 . 9 1 1 A 56 56 ALA N N 56 121.951 121.418 0.533 1
1 581 . 9 1 1 A 57 57 VAL H H 57 7.896 8.539 -0.643 1
1 582 . 9 1 1 A 57 57 VAL HA H 57 3.520 3.667 -0.147 1
1 590 . 9 1 1 A 57 57 VAL C C 57 175.691 176.509 -0.818 1
1 591 . 9 1 1 A 57 57 VAL CA C 57 64.652 65.097 -0.445 1
1 592 . 9 1 1 A 57 57 VAL CB C 57 32.644 31.405 1.239 1
1 595 . 9 1 1 A 57 57 VAL N N 57 116.475 119.244 -2.769 1
1 596 . 9 1 1 A 58 58 GLY H H 58 8.429 8.652 -0.223 1
1 597 . 9 1 1 A 58 58 GLY HA2 H 58 4.442 4.093 0.349 1
1 598 . 9 1 1 A 58 58 GLY HA3 H 58 3.739 4.097 -0.358 1
1 599 . 9 1 1 A 58 58 GLY C C 58 170.877 172.296 -1.419 1
1 600 . 9 1 1 A 58 58 GLY CA C 58 43.207 44.301 -1.094 1
1 601 . 9 1 1 A 58 58 GLY N N 58 113.209 112.287 0.922 1
1 602 . 9 1 1 A 59 59 GLU H H 59 8.017 8.287 -0.270 1
1 603 . 9 1 1 A 59 59 GLU HA H 59 4.690 5.315 -0.625 1
1 606 . 9 1 1 A 59 59 GLU C C 59 175.309 174.538 0.771 1
1 607 . 9 1 1 A 59 59 GLU CA C 59 55.370 54.467 0.903 1
1 608 . 9 1 1 A 59 59 GLU CB C 59 32.114 32.620 -0.506 1
1 610 . 9 1 1 A 59 59 GLU N N 59 119.976 120.647 -0.671 1
1 611 . 9 1 1 A 60 60 HIS H H 60 9.001 8.926 0.075 1
1 612 . 9 1 1 A 60 60 HIS HA H 60 4.637 4.905 -0.268 1
1 615 . 9 1 1 A 60 60 HIS C C 60 173.585 173.996 -0.411 1
1 616 . 9 1 1 A 60 60 HIS CA C 60 55.364 55.003 0.361 1
1 617 . 9 1 1 A 60 60 HIS CB C 60 33.699 33.545 0.154 1
1 618 . 9 1 1 A 60 60 HIS N N 60 125.266 120.625 4.641 1
1 619 . 9 1 1 A 61 61 THR H H 61 8.712 8.897 -0.185 1
1 620 . 9 1 1 A 61 61 THR HA H 61 5.333 5.096 0.237 1
1 625 . 9 1 1 A 61 61 THR C C 61 175.155 173.886 1.269 1
1 626 . 9 1 1 A 61 61 THR CA C 61 62.600 60.955 1.645 1
1 627 . 9 1 1 A 61 61 THR CB C 61 69.914 70.760 -0.846 1
1 628 . 9 1 1 A 61 61 THR N N 61 120.973 117.521 3.452 1
1 629 . 9 1 1 A 62 62 VAL H H 62 9.313 8.537 0.776 1
1 630 . 9 1 1 A 62 62 VAL HA H 62 4.910 4.803 0.107 1
1 638 . 9 1 1 A 62 62 VAL C C 62 173.545 176.051 -2.506 1
1 639 . 9 1 1 A 62 62 VAL CA C 62 58.734 59.491 -0.757 1
1 640 . 9 1 1 A 62 62 VAL CB C 62 36.638 35.136 1.502 1
1 643 . 9 1 1 A 62 62 VAL N N 62 120.591 121.864 -1.273 1
1 644 . 9 1 1 A 63 63 LYS H H 63 7.815 8.362 -0.547 1
1 645 . 9 1 1 A 63 63 LYS HA H 63 4.552 4.230 0.322 1
1 650 . 9 1 1 A 63 63 LYS C C 63 175.805 176.029 -0.224 1
1 651 . 9 1 1 A 63 63 LYS CA C 63 54.680 57.454 -2.774 1
1 652 . 9 1 1 A 63 63 LYS CB C 63 32.896 31.878 1.018 1
1 656 . 9 1 1 A 63 63 LYS N N 63 118.768 122.953 -4.185 1
1 657 . 9 1 1 A 64 64 ILE H H 64 8.349 7.855 0.494 1
1 658 . 9 1 1 A 64 64 ILE HA H 64 3.870 3.984 -0.114 1
1 668 . 9 1 1 A 64 64 ILE C C 64 175.894 174.814 1.080 1
1 669 . 9 1 1 A 64 64 ILE CA C 64 61.324 62.186 -0.862 1
1 670 . 9 1 1 A 64 64 ILE CB C 64 39.638 36.997 2.641 1
1 674 . 9 1 1 A 64 64 ILE N N 64 121.703 116.826 4.877 1
1 675 . 9 1 1 A 65 65 TYR H H 65 8.491 8.815 -0.324 1
1 676 . 9 1 1 A 65 65 TYR CA C 65 57.180 56.601 0.579 1
1 677 . 9 1 1 A 65 65 TYR CB C 65 37.490 36.570 0.920 1
1 678 . 9 1 1 A 65 65 TYR N N 65 125.077 127.287 -2.210 1
1 680 . 9 1 1 A 66 66 TRP C C 66 175.586 176.228 -0.642 1
1 681 . 9 1 1 A 66 66 TRP CB C 66 33.607 30.489 3.118 1
1 683 . 9 1 1 A 67 67 GLN H H 67 9.048 9.110 -0.062 1
1 684 . 9 1 1 A 67 67 GLN HA H 67 4.751 4.603 0.148 1
1 687 . 9 1 1 A 67 67 GLN C C 67 174.057 174.165 -0.108 1
1 688 . 9 1 1 A 67 67 GLN CA C 67 56.338 54.638 1.700 1
1 689 . 9 1 1 A 67 67 GLN CB C 67 32.401 32.769 -0.368 1
1 690 . 9 1 1 A 67 67 GLN N N 67 119.746 119.476 0.270 1
1 691 . 9 1 1 A 68 68 LEU H H 68 8.898 8.574 0.324 1
1 692 . 9 1 1 A 68 68 LEU HA H 68 5.160 4.850 0.310 1
1 702 . 9 1 1 A 68 68 LEU CA C 68 51.902 51.194 0.708 1
1 703 . 9 1 1 A 68 68 LEU CB C 68 45.191 45.557 -0.366 1
1 707 . 9 1 1 A 68 68 LEU N N 68 126.170 123.988 2.182 1
1 708 . 9 1 1 A 69 69 PRO HA H 69 4.511 4.551 -0.040 1
1 715 . 9 1 1 A 69 69 PRO C C 69 175.054 176.172 -1.118 1
1 716 . 9 1 1 A 69 69 PRO CA C 69 62.538 63.845 -1.307 1
1 717 . 9 1 1 A 69 69 PRO CB C 69 32.297 32.352 -0.055 1
1 720 . 9 1 1 A 70 70 ALA H H 70 8.307 7.791 0.516 1
1 721 . 9 1 1 A 70 70 ALA HA H 70 4.180 4.438 -0.258 1
1 725 . 9 1 1 A 70 70 ALA C C 70 178.404 177.977 0.427 1
1 726 . 9 1 1 A 70 70 ALA CA C 70 53.532 52.016 1.516 1
1 727 . 9 1 1 A 70 70 ALA CB C 70 18.613 20.451 -1.838 1
1 728 . 9 1 1 A 70 70 ALA N N 70 123.217 123.464 -0.247 1
1 729 . 9 1 1 A 71 71 GLY H H 71 8.667 8.369 0.298 1
1 730 . 9 1 1 A 71 71 GLY HA2 H 71 4.230 4.153 0.077 1
1 731 . 9 1 1 A 71 71 GLY HA3 H 71 3.650 4.154 -0.504 1
1 732 . 9 1 1 A 71 71 GLY C C 71 173.707 173.752 -0.045 1
1 733 . 9 1 1 A 71 71 GLY CA C 71 45.049 46.025 -0.976 1
1 734 . 9 1 1 A 71 71 GLY N N 71 108.062 107.778 0.284 1
1 735 . 9 1 1 A 72 72 ILE H H 72 7.448 7.846 -0.398 1
1 736 . 9 1 1 A 72 72 ILE HA H 72 4.569 4.298 0.271 1
1 745 . 9 1 1 A 72 72 ILE C C 72 174.450 174.542 -0.092 1
1 746 . 9 1 1 A 72 72 ILE CA C 72 60.281 60.493 -0.212 1
1 747 . 9 1 1 A 72 72 ILE CB C 72 37.826 39.612 -1.786 1
1 751 . 9 1 1 A 72 72 ILE N N 72 118.695 122.325 -3.630 1
1 752 . 9 1 1 A 73 73 GLU H H 73 8.767 8.599 0.168 1
1 755 . 9 1 1 A 73 73 GLU C C 73 175.210 175.781 -0.571 1
1 756 . 9 1 1 A 73 73 GLU CA C 73 54.306 55.048 -0.742 1
1 757 . 9 1 1 A 73 73 GLU CB C 73 32.927 32.737 0.190 1
1 758 . 9 1 1 A 73 73 GLU N N 73 126.361 125.891 0.470 1
1 759 . 9 1 1 A 74 74 MET H H 74 8.618 8.836 -0.218 1
1 760 . 9 1 1 A 74 74 MET HA H 74 4.307 4.590 -0.283 1
1 764 . 9 1 1 A 74 74 MET C C 74 175.176 176.391 -1.215 1
1 765 . 9 1 1 A 74 74 MET CA C 74 53.791 55.205 -1.414 1
1 766 . 9 1 1 A 74 74 MET CB C 74 31.127 32.785 -1.658 1
1 768 . 9 1 1 A 74 74 MET N N 74 124.594 125.352 -0.758 1
1 769 . 9 1 1 A 75 75 VAL H H 75 8.679 8.732 -0.053 1
1 770 . 9 1 1 A 75 75 VAL HA H 75 3.922 3.951 -0.029 1
1 778 . 9 1 1 A 75 75 VAL C C 75 176.056 176.278 -0.222 1
1 779 . 9 1 1 A 75 75 VAL CA C 75 64.246 63.629 0.617 1
1 780 . 9 1 1 A 75 75 VAL CB C 75 32.577 32.471 0.106 1
1 783 . 9 1 1 A 75 75 VAL N N 75 128.728 128.272 0.456 1
1 784 . 9 1 1 A 76 76 SER H H 76 7.610 7.672 -0.062 1
1 785 . 9 1 1 A 76 76 SER HA H 76 4.641 4.904 -0.263 1
1 787 . 9 1 1 A 76 76 SER C C 76 171.007 171.674 -0.667 1
1 788 . 9 1 1 A 76 76 SER CA C 76 57.618 57.392 0.226 1
1 789 . 9 1 1 A 76 76 SER CB C 76 65.001 67.232 -2.231 1
1 790 . 9 1 1 A 76 76 SER N N 76 112.117 113.388 -1.271 1
1 791 . 9 1 1 A 77 77 ILE H H 77 8.019 8.891 -0.872 1
1 792 . 9 1 1 A 77 77 ILE HA H 77 4.790 4.515 0.275 1
1 802 . 9 1 1 A 77 77 ILE CA C 77 57.476 57.327 0.149 1
1 803 . 9 1 1 A 77 77 ILE CB C 77 41.550 40.862 0.688 1
1 806 . 9 1 1 A 77 77 ILE N N 77 124.876 122.132 2.744 1
1 807 . 9 1 1 A 78 78 PRO HA H 78 4.662 4.799 -0.137 1
1 814 . 9 1 1 A 78 78 PRO C C 78 176.687 175.280 1.407 1
1 815 . 9 1 1 A 78 78 PRO CA C 78 62.854 62.029 0.825 1
1 816 . 9 1 1 A 78 78 PRO CB C 78 36.960 32.394 4.566 1
1 819 . 9 1 1 A 79 79 ASP H H 79 7.912 8.549 -0.637 1
1 820 . 9 1 1 A 79 79 ASP HA H 79 4.980 5.364 -0.384 1
1 823 . 9 1 1 A 79 79 ASP C C 79 175.812 174.617 1.195 1
1 824 . 9 1 1 A 79 79 ASP CA C 79 54.046 52.644 1.402 1
1 825 . 9 1 1 A 79 79 ASP CB C 79 41.269 45.074 -3.805 1
1 826 . 9 1 1 A 79 79 ASP N N 79 118.235 120.122 -1.887 1
1 827 . 9 1 1 A 80 80 VAL H H 80 8.641 8.395 0.246 1
1 828 . 9 1 1 A 80 80 VAL HA H 80 4.623 4.824 -0.201 1
1 836 . 9 1 1 A 80 80 VAL C C 80 172.960 173.348 -0.388 1
1 837 . 9 1 1 A 80 80 VAL CA C 80 60.561 59.923 0.638 1
1 838 . 9 1 1 A 80 80 VAL CB C 80 36.112 35.665 0.447 1
1 841 . 9 1 1 A 80 80 VAL N N 80 116.881 119.801 -2.920 1
1 842 . 9 1 1 A 81 81 THR H H 81 8.304 8.593 -0.289 1
1 843 . 9 1 1 A 81 81 THR HA H 81 5.822 5.461 0.361 1
1 848 . 9 1 1 A 81 81 THR C C 81 173.431 173.262 0.169 1
1 849 . 9 1 1 A 81 81 THR CA C 81 61.014 60.980 0.034 1
1 850 . 9 1 1 A 81 81 THR CB C 81 70.663 72.075 -1.412 1
1 852 . 9 1 1 A 81 81 THR N N 81 123.670 121.497 2.173 1
1 853 . 9 1 1 A 82 82 TYR H H 82 9.293 8.848 0.445 1
1 854 . 9 1 1 A 82 82 TYR HA H 82 5.040 4.806 0.234 1
1 857 . 9 1 1 A 82 82 TYR C C 82 172.210 173.852 -1.642 1
1 858 . 9 1 1 A 82 82 TYR CA C 82 55.640 57.408 -1.768 1
1 859 . 9 1 1 A 82 82 TYR CB C 82 41.461 40.471 0.990 1
1 860 . 9 1 1 A 82 82 TYR N N 82 124.984 125.442 -0.458 1
1 861 . 9 1 1 A 83 83 THR H H 83 8.774 8.633 0.141 1
1 862 . 9 1 1 A 83 83 THR HA H 83 5.150 5.425 -0.275 1
1 864 . 9 1 1 A 83 83 THR C C 83 173.942 173.654 0.288 1
1 865 . 9 1 1 A 83 83 THR CA C 83 61.324 61.170 0.154 1
1 866 . 9 1 1 A 83 83 THR CB C 83 71.117 71.030 0.087 1
1 867 . 9 1 1 A 83 83 THR N N 83 115.669 115.521 0.148 1
1 868 . 9 1 1 A 84 84 LEU H H 84 8.859 8.698 0.161 1
1 869 . 9 1 1 A 84 84 LEU HA H 84 5.400 5.282 0.118 1
1 879 . 9 1 1 A 84 84 LEU C C 84 176.575 175.954 0.621 1
1 880 . 9 1 1 A 84 84 LEU CA C 84 52.755 53.291 -0.536 1
1 881 . 9 1 1 A 84 84 LEU CB C 84 44.443 44.866 -0.423 1
1 885 . 9 1 1 A 84 84 LEU N N 84 125.146 125.404 -0.258 1
1 886 . 9 1 1 A 85 85 LYS H H 85 9.505 8.623 0.882 1
1 887 . 9 1 1 A 85 85 LYS HA H 85 4.793 4.952 -0.159 1
1 893 . 9 1 1 A 85 85 LYS C C 85 173.593 175.586 -1.993 1
1 894 . 9 1 1 A 85 85 LYS CA C 85 54.002 54.918 -0.916 1
1 895 . 9 1 1 A 85 85 LYS CB C 85 36.173 34.962 1.211 1
1 899 . 9 1 1 A 85 85 LYS N N 85 122.212 122.432 -0.220 1
1 900 . 9 1 1 A 86 86 ALA H H 86 8.714 8.605 0.109 1
1 901 . 9 1 1 A 86 86 ALA HA H 86 4.489 4.312 0.177 1
1 905 . 9 1 1 A 86 86 ALA C C 86 178.091 177.170 0.921 1
1 906 . 9 1 1 A 86 86 ALA CA C 86 52.548 52.465 0.083 1
1 907 . 9 1 1 A 86 86 ALA CB C 86 18.787 19.197 -0.410 1
1 908 . 9 1 1 A 86 86 ALA N N 86 123.336 125.251 -1.915 1
1 909 . 9 1 1 A 87 87 LYS H H 87 8.242 8.608 -0.366 1
1 910 . 9 1 1 A 87 87 LYS HA H 87 3.963 4.333 -0.370 1
1 917 . 9 1 1 A 87 87 LYS C C 87 176.384 176.474 -0.090 1
1 918 . 9 1 1 A 87 87 LYS CA C 87 57.672 57.282 0.390 1
1 919 . 9 1 1 A 87 87 LYS CB C 87 33.298 33.080 0.218 1
1 922 . 9 1 1 A 87 87 LYS N N 87 122.855 122.124 0.731 1
1 923 . 9 1 1 A 88 88 GLU H H 88 8.485 8.643 -0.158 1
1 924 . 9 1 1 A 88 88 GLU HA H 88 4.305 4.674 -0.369 1
1 926 . 9 1 1 A 88 88 GLU C C 88 175.437 176.348 -0.911 1
1 927 . 9 1 1 A 88 88 GLU CA C 88 55.863 56.242 -0.379 1
1 928 . 9 1 1 A 88 88 GLU CB C 88 30.831 31.705 -0.874 1
1 929 . 9 1 1 A 88 88 GLU N N 88 122.851 122.611 0.240 1
1 930 . 9 1 1 A 89 89 ASP H H 89 8.522 7.623 0.899 1
1 931 . 9 1 1 A 89 89 ASP HA H 89 4.840 4.754 0.086 1
1 934 . 9 1 1 A 89 89 ASP CA C 89 52.036 52.348 -0.312 1
1 935 . 9 1 1 A 89 89 ASP CB C 89 41.551 40.733 0.818 1
1 936 . 9 1 1 A 89 89 ASP N N 89 123.882 123.239 0.643 1
1 937 . 9 1 1 A 90 90 PRO HA H 90 4.387 4.438 -0.051 1
1 942 . 9 1 1 A 90 90 PRO C C 90 177.292 177.454 -0.162 1
1 943 . 9 1 1 A 90 90 PRO CA C 90 63.694 65.084 -1.390 1
1 944 . 9 1 1 A 90 90 PRO CB C 90 32.270 31.903 0.367 1
1 947 . 9 1 1 A 91 91 LEU H H 91 8.340 7.842 0.498 1
1 948 . 9 1 1 A 91 91 LEU HA H 91 4.230 4.444 -0.214 1
1 958 . 9 1 1 A 91 91 LEU C C 91 177.668 176.210 1.458 1
1 959 . 9 1 1 A 91 91 LEU CA C 91 55.381 55.049 0.332 1
1 960 . 9 1 1 A 91 91 LEU CB C 91 41.733 44.248 -2.515 1
1 964 . 9 1 1 A 91 91 LEU N N 91 120.251 113.742 6.509 1
1 965 . 9 1 1 A 92 92 GLU H H 92 7.977 7.906 0.071 1
1 966 . 9 1 1 A 92 92 GLU C C 92 176.310 175.296 1.014 1
1 967 . 9 1 1 A 92 92 GLU CA C 92 56.745 56.320 0.425 1
1 968 . 9 1 1 A 92 92 GLU CB C 92 30.187 32.964 -2.777 1
1 969 . 9 1 1 A 92 92 GLU N N 92 120.217 119.081 1.136 1
1 970 . 9 1 1 A 93 93 HIS H H 93 8.242 8.701 -0.459 1
1 972 . 9 1 1 A 93 93 HIS C C 93 173.935 173.618 0.317 1
1 973 . 9 1 1 A 93 93 HIS CA C 93 55.918 56.351 -0.433 1
1 974 . 9 1 1 A 93 93 HIS CB C 93 29.960 29.280 0.680 1
1 975 . 9 1 1 A 93 93 HIS N N 93 119.107 125.871 -6.764 1
1 976 . 9 1 1 A 94 94 HIS H H 94 8.164 7.614 0.550 1
1 977 . 9 1 1 A 94 94 HIS CA C 94 57.235 55.337 1.898 1
1 978 . 9 1 1 A 94 94 HIS CB C 94 30.225 30.677 -0.452 1
1 1 . 10 1 1 A 6 6 ASP C C 6 174.750 176.609 -1.859 1
1 2 . 10 1 1 A 6 6 ASP CA C 6 55.079 56.123 -1.044 1
1 3 . 10 1 1 A 6 6 ASP CB C 6 38.799 39.155 -0.356 1
1 4 . 10 1 1 A 7 7 LEU H H 7 9.403 7.459 1.944 1
1 14 . 10 1 1 A 7 7 LEU CA C 7 53.136 53.811 -0.675 1
1 15 . 10 1 1 A 7 7 LEU CB C 7 41.601 42.239 -0.638 1
1 18 . 10 1 1 A 7 7 LEU N N 7 123.103 123.898 -0.795 1
1 19 . 10 1 1 A 8 8 PRO HA H 8 4.880 4.840 0.040 1
1 21 . 10 1 1 A 8 8 PRO C C 8 175.617 175.674 -0.057 1
1 22 . 10 1 1 A 8 8 PRO CA C 8 61.559 62.192 -0.633 1
1 23 . 10 1 1 A 8 8 PRO CB C 8 32.973 29.843 3.130 1
1 24 . 10 1 1 A 9 9 ILE H H 9 8.721 8.136 0.585 1
1 25 . 10 1 1 A 9 9 ILE HA H 9 4.156 4.562 -0.406 1
1 35 . 10 1 1 A 9 9 ILE C C 9 175.726 175.279 0.447 1
1 36 . 10 1 1 A 9 9 ILE CA C 9 60.104 60.495 -0.391 1
1 37 . 10 1 1 A 9 9 ILE CB C 9 41.286 39.372 1.914 1
1 40 . 10 1 1 A 9 9 ILE N N 9 118.531 124.031 -5.500 1
1 41 . 10 1 1 A 10 10 VAL H H 10 8.229 8.776 -0.547 1
1 42 . 10 1 1 A 10 10 VAL HA H 10 4.146 4.433 -0.287 1
1 50 . 10 1 1 A 10 10 VAL C C 10 174.221 174.102 0.119 1
1 51 . 10 1 1 A 10 10 VAL CA C 10 62.271 61.257 1.014 1
1 52 . 10 1 1 A 10 10 VAL CB C 10 33.507 32.449 1.058 1
1 55 . 10 1 1 A 10 10 VAL N N 10 126.782 128.184 -1.402 1
1 56 . 10 1 1 A 11 11 LEU H H 11 8.533 8.613 -0.080 1
1 57 . 10 1 1 A 11 11 LEU HA H 11 4.615 4.722 -0.107 1
1 67 . 10 1 1 A 11 11 LEU C C 11 176.048 175.845 0.203 1
1 68 . 10 1 1 A 11 11 LEU CA C 11 54.172 53.684 0.488 1
1 69 . 10 1 1 A 11 11 LEU CB C 11 42.865 45.002 -2.137 1
1 72 . 10 1 1 A 11 11 LEU N N 11 128.336 127.857 0.479 1
1 73 . 10 1 1 A 12 12 ARG H H 12 9.076 8.292 0.784 1
1 74 . 10 1 1 A 12 12 ARG HA H 12 4.620 4.602 0.018 1
1 81 . 10 1 1 A 12 12 ARG C C 12 175.198 177.272 -2.074 1
1 82 . 10 1 1 A 12 12 ARG CA C 12 55.178 56.371 -1.193 1
1 83 . 10 1 1 A 12 12 ARG CB C 12 33.105 32.753 0.352 1
1 86 . 10 1 1 A 12 12 ARG N N 12 126.410 122.611 3.799 1
1 87 . 10 1 1 A 13 13 ASN H H 13 8.914 8.188 0.726 1
1 88 . 10 1 1 A 13 13 ASN HA H 13 4.167 4.675 -0.508 1
1 91 . 10 1 1 A 13 13 ASN C C 13 174.200 175.303 -1.103 1
1 92 . 10 1 1 A 13 13 ASN CA C 13 54.189 54.889 -0.700 1
1 93 . 10 1 1 A 13 13 ASN CB C 13 37.053 37.828 -0.775 1
1 94 . 10 1 1 A 13 13 ASN N N 13 115.665 116.924 -1.259 1
1 95 . 10 1 1 A 14 14 LEU H H 14 8.096 8.297 -0.201 1
1 96 . 10 1 1 A 14 14 LEU HA H 14 4.160 4.462 -0.302 1
1 106 . 10 1 1 A 14 14 LEU CA C 14 53.789 51.944 1.845 1
1 107 . 10 1 1 A 14 14 LEU CB C 14 42.801 41.919 0.882 1
1 111 . 10 1 1 A 14 14 LEU N N 14 121.110 121.720 -0.610 1
1 112 . 10 1 1 A 15 15 PRO HA H 15 4.400 4.551 -0.151 1
1 118 . 10 1 1 A 15 15 PRO C C 15 176.937 177.425 -0.488 1
1 119 . 10 1 1 A 15 15 PRO CA C 15 63.627 63.033 0.594 1
1 120 . 10 1 1 A 15 15 PRO CB C 15 32.770 32.748 0.022 1
1 123 . 10 1 1 A 16 16 GLU H H 16 8.472 8.705 -0.233 1
1 124 . 10 1 1 A 16 16 GLU HA H 16 4.083 4.068 0.015 1
1 126 . 10 1 1 A 16 16 GLU C C 16 176.530 177.116 -0.586 1
1 127 . 10 1 1 A 16 16 GLU CA C 16 58.767 58.788 -0.021 1
1 128 . 10 1 1 A 16 16 GLU CB C 16 29.951 29.250 0.701 1
1 129 . 10 1 1 A 16 16 GLU N N 16 119.567 122.093 -2.526 1
1 130 . 10 1 1 A 17 17 ASP H H 17 8.654 7.904 0.750 1
1 131 . 10 1 1 A 17 17 ASP HA H 17 4.600 4.705 -0.105 1
1 134 . 10 1 1 A 17 17 ASP C C 17 175.057 175.104 -0.047 1
1 135 . 10 1 1 A 17 17 ASP CA C 17 54.212 54.125 0.087 1
1 136 . 10 1 1 A 17 17 ASP CB C 17 40.065 41.633 -1.568 1
1 137 . 10 1 1 A 17 17 ASP N N 17 114.516 118.304 -3.788 1
1 138 . 10 1 1 A 18 18 LEU H H 18 7.814 7.716 0.098 1
1 139 . 10 1 1 A 18 18 LEU HA H 18 5.260 4.902 0.358 1
1 149 . 10 1 1 A 18 18 LEU C C 18 174.434 174.337 0.097 1
1 150 . 10 1 1 A 18 18 LEU CA C 18 53.620 54.126 -0.506 1
1 151 . 10 1 1 A 18 18 LEU CB C 18 46.147 46.300 -0.153 1
1 155 . 10 1 1 A 18 18 LEU N N 18 120.789 120.389 0.400 1
1 156 . 10 1 1 A 19 19 VAL H H 19 8.931 8.345 0.586 1
1 157 . 10 1 1 A 19 19 VAL HA H 19 4.600 5.013 -0.413 1
1 165 . 10 1 1 A 19 19 VAL C C 19 175.054 173.289 1.765 1
1 166 . 10 1 1 A 19 19 VAL CA C 19 59.348 59.096 0.252 1
1 167 . 10 1 1 A 19 19 VAL CB C 19 36.380 36.314 0.066 1
1 170 . 10 1 1 A 19 19 VAL N N 19 111.130 118.084 -6.954 1
1 171 . 10 1 1 A 20 20 LEU H H 20 8.339 8.688 -0.349 1
1 172 . 10 1 1 A 20 20 LEU HA H 20 4.704 5.103 -0.399 1
1 182 . 10 1 1 A 20 20 LEU C C 20 178.790 177.053 1.737 1
1 183 . 10 1 1 A 20 20 LEU CA C 20 55.095 53.227 1.868 1
1 184 . 10 1 1 A 20 20 LEU CB C 20 42.647 46.309 -3.662 1
1 188 . 10 1 1 A 20 20 LEU N N 20 122.936 124.152 -1.216 1
1 189 . 10 1 1 A 21 21 GLU H H 21 8.851 8.546 0.305 1
1 190 . 10 1 1 A 21 21 GLU HA H 21 3.880 4.180 -0.300 1
1 194 . 10 1 1 A 21 21 GLU C C 21 175.661 176.125 -0.464 1
1 195 . 10 1 1 A 21 21 GLU CA C 21 59.434 56.097 3.337 1
1 196 . 10 1 1 A 21 21 GLU CB C 21 31.125 28.509 2.616 1
1 198 . 10 1 1 A 21 21 GLU N N 21 124.719 122.843 1.876 1
1 199 . 10 1 1 A 22 22 LYS H H 22 7.591 8.837 -1.246 1
1 200 . 10 1 1 A 22 22 LYS HA H 22 4.760 4.372 0.388 1
1 203 . 10 1 1 A 22 22 LYS CA C 22 53.277 56.434 -3.157 1
1 204 . 10 1 1 A 22 22 LYS CB C 22 34.301 31.889 2.412 1
1 205 . 10 1 1 A 22 22 LYS N N 22 115.055 119.336 -4.281 1
1 206 . 10 1 1 A 23 23 PRO HA H 23 4.343 4.250 0.093 1
1 213 . 10 1 1 A 23 23 PRO C C 23 176.657 177.368 -0.711 1
1 214 . 10 1 1 A 23 23 PRO CA C 23 62.800 65.875 -3.075 1
1 215 . 10 1 1 A 23 23 PRO CB C 23 32.360 31.549 0.811 1
1 218 . 10 1 1 A 24 24 LEU H H 24 8.507 7.800 0.707 1
1 219 . 10 1 1 A 24 24 LEU HA H 24 4.460 3.924 0.536 1
1 225 . 10 1 1 A 24 24 LEU CA C 24 53.311 55.284 -1.973 1
1 226 . 10 1 1 A 24 24 LEU CB C 24 40.716 39.877 0.839 1
1 228 . 10 1 1 A 24 24 LEU N N 24 121.875 115.698 6.177 1
1 229 . 10 1 1 A 25 25 PRO HA H 25 4.560 4.514 0.046 1
1 232 . 10 1 1 A 25 25 PRO C C 25 176.019 177.833 -1.814 1
1 233 . 10 1 1 A 25 25 PRO CA C 25 62.448 64.371 -1.923 1
1 234 . 10 1 1 A 25 25 PRO CB C 25 32.035 31.658 0.377 1
1 235 . 10 1 1 A 26 26 GLU H H 26 7.828 8.522 -0.694 1
1 236 . 10 1 1 A 26 26 GLU HA H 26 4.790 4.384 0.406 1
1 239 . 10 1 1 A 26 26 GLU C C 26 178.159 175.734 2.425 1
1 240 . 10 1 1 A 26 26 GLU CA C 26 55.700 55.056 0.644 1
1 241 . 10 1 1 A 26 26 GLU CB C 26 30.291 27.799 2.492 1
1 242 . 10 1 1 A 26 26 GLU N N 26 117.053 117.719 -0.666 1
1 243 . 10 1 1 A 27 27 VAL H H 27 8.863 10.504 -1.641 1
1 244 . 10 1 1 A 27 27 VAL HA H 27 4.830 4.633 0.197 1
1 252 . 10 1 1 A 27 27 VAL C C 27 174.041 174.924 -0.883 1
1 253 . 10 1 1 A 27 27 VAL CA C 27 59.788 60.720 -0.932 1
1 254 . 10 1 1 A 27 27 VAL CB C 27 35.937 34.034 1.903 1
1 257 . 10 1 1 A 27 27 VAL N N 27 114.437 121.780 -7.343 1
1 258 . 10 1 1 A 28 28 SER H H 28 7.870 8.692 -0.822 1
1 259 . 10 1 1 A 28 28 SER HA H 28 5.360 5.502 -0.142 1
1 261 . 10 1 1 A 28 28 SER CA C 28 55.629 56.868 -1.239 1
1 262 . 10 1 1 A 28 28 SER CB C 28 65.215 66.564 -1.349 1
1 263 . 10 1 1 A 28 28 SER N N 28 114.263 118.283 -4.020 1
1 264 . 10 1 1 A 29 29 VAL HA H 29 4.960 5.053 -0.093 1
1 272 . 10 1 1 A 29 29 VAL C C 29 174.289 174.984 -0.695 1
1 273 . 10 1 1 A 29 29 VAL CA C 29 58.515 59.221 -0.706 1
1 274 . 10 1 1 A 29 29 VAL CB C 29 34.903 35.573 -0.670 1
1 277 . 10 1 1 A 30 30 THR H H 30 8.579 8.880 -0.301 1
1 278 . 10 1 1 A 30 30 THR HA H 30 5.240 4.778 0.462 1
1 283 . 10 1 1 A 30 30 THR C C 30 173.452 174.005 -0.553 1
1 284 . 10 1 1 A 30 30 THR CA C 30 61.702 60.619 1.083 1
1 285 . 10 1 1 A 30 30 THR CB C 30 70.283 69.176 1.107 1
1 287 . 10 1 1 A 30 30 THR N N 30 118.278 117.624 0.654 1
1 288 . 10 1 1 A 31 31 ILE H H 31 8.919 7.569 1.350 1
1 289 . 10 1 1 A 31 31 ILE HA H 31 5.138 4.475 0.663 1
1 299 . 10 1 1 A 31 31 ILE C C 31 173.712 174.780 -1.068 1
1 300 . 10 1 1 A 31 31 ILE CA C 31 59.199 59.964 -0.765 1
1 301 . 10 1 1 A 31 31 ILE CB C 31 41.425 39.443 1.982 1
1 305 . 10 1 1 A 31 31 ILE N N 31 119.853 122.759 -2.906 1
1 306 . 10 1 1 A 32 32 ARG H H 32 8.715 8.930 -0.215 1
1 307 . 10 1 1 A 32 32 ARG C C 32 173.382 174.478 -1.096 1
1 308 . 10 1 1 A 32 32 ARG CA C 32 55.308 54.017 1.291 1
1 309 . 10 1 1 A 32 32 ARG CB C 32 34.457 35.110 -0.653 1
1 310 . 10 1 1 A 32 32 ARG N N 32 118.433 122.746 -4.313 1
1 311 . 10 1 1 A 33 33 ALA H H 33 7.873 8.418 -0.545 1
1 312 . 10 1 1 A 33 33 ALA HA H 33 4.510 4.622 -0.112 1
1 316 . 10 1 1 A 33 33 ALA C C 33 175.205 175.425 -0.220 1
1 317 . 10 1 1 A 33 33 ALA CA C 33 51.365 51.178 0.187 1
1 318 . 10 1 1 A 33 33 ALA CB C 33 23.433 21.494 1.939 1
1 319 . 10 1 1 A 33 33 ALA N N 33 123.018 120.608 2.410 1
1 320 . 10 1 1 A 34 34 TYR H H 34 8.171 8.588 -0.417 1
1 321 . 10 1 1 A 34 34 TYR HA H 34 4.860 4.626 0.234 1
1 324 . 10 1 1 A 34 34 TYR CA C 34 56.646 57.209 -0.563 1
1 325 . 10 1 1 A 34 34 TYR CB C 34 36.668 38.773 -2.105 1
1 326 . 10 1 1 A 34 34 TYR N N 34 118.901 117.409 1.492 1
1 327 . 10 1 1 A 35 35 PRO HA H 35 4.100 4.288 -0.188 1
1 330 . 10 1 1 A 35 35 PRO C C 35 177.893 178.986 -1.093 1
1 331 . 10 1 1 A 35 35 PRO CA C 35 66.575 65.725 0.850 1
1 332 . 10 1 1 A 35 35 PRO CB C 35 32.036 31.914 0.122 1
1 333 . 10 1 1 A 36 36 GLU H H 36 9.144 8.468 0.676 1
1 334 . 10 1 1 A 36 36 GLU HA H 36 4.090 4.098 -0.008 1
1 337 . 10 1 1 A 36 36 GLU C C 36 178.276 179.441 -1.165 1
1 338 . 10 1 1 A 36 36 GLU CA C 36 59.597 59.754 -0.157 1
1 339 . 10 1 1 A 36 36 GLU CB C 36 28.790 29.163 -0.373 1
1 340 . 10 1 1 A 36 36 GLU N N 36 115.616 117.633 -2.017 1
1 341 . 10 1 1 A 37 37 ILE H H 37 7.227 8.070 -0.843 1
1 342 . 10 1 1 A 37 37 ILE HA H 37 4.020 3.866 0.154 1
1 352 . 10 1 1 A 37 37 ILE C C 37 178.767 177.974 0.793 1
1 353 . 10 1 1 A 37 37 ILE CA C 37 62.612 64.714 -2.102 1
1 354 . 10 1 1 A 37 37 ILE CB C 37 37.690 37.809 -0.119 1
1 358 . 10 1 1 A 37 37 ILE N N 37 117.970 120.844 -2.874 1
1 359 . 10 1 1 A 38 38 LEU H H 38 7.737 7.630 0.107 1
1 360 . 10 1 1 A 38 38 LEU HA H 38 3.860 4.251 -0.391 1
1 370 . 10 1 1 A 38 38 LEU C C 38 179.021 178.950 0.071 1
1 371 . 10 1 1 A 38 38 LEU CA C 38 57.346 55.950 1.396 1
1 372 . 10 1 1 A 38 38 LEU CB C 38 41.634 42.357 -0.723 1
1 376 . 10 1 1 A 38 38 LEU N N 38 119.122 120.979 -1.857 1
1 377 . 10 1 1 A 39 39 ASN H H 39 8.347 8.351 -0.004 1
1 378 . 10 1 1 A 39 39 ASN HA H 39 4.440 4.455 -0.015 1
1 380 . 10 1 1 A 39 39 ASN C C 39 175.797 176.832 -1.035 1
1 381 . 10 1 1 A 39 39 ASN CA C 39 55.237 55.894 -0.657 1
1 382 . 10 1 1 A 39 39 ASN CB C 39 38.282 38.387 -0.105 1
1 383 . 10 1 1 A 39 39 ASN N N 39 115.266 118.281 -3.015 1
1 384 . 10 1 1 A 40 40 ASN H H 40 7.279 7.425 -0.146 1
1 385 . 10 1 1 A 40 40 ASN HA H 40 4.842 4.829 0.013 1
1 388 . 10 1 1 A 40 40 ASN C C 40 174.085 176.054 -1.969 1
1 389 . 10 1 1 A 40 40 ASN CA C 40 52.778 54.893 -2.115 1
1 390 . 10 1 1 A 40 40 ASN CB C 40 39.998 39.202 0.796 1
1 391 . 10 1 1 A 40 40 ASN N N 40 115.166 115.510 -0.344 1
1 392 . 10 1 1 A 41 41 LEU H H 41 7.151 7.260 -0.109 1
1 393 . 10 1 1 A 41 41 LEU HA H 41 4.420 4.172 0.248 1
1 403 . 10 1 1 A 41 41 LEU C C 41 176.343 175.367 0.976 1
1 404 . 10 1 1 A 41 41 LEU CA C 41 55.639 56.001 -0.362 1
1 405 . 10 1 1 A 41 41 LEU CB C 41 43.186 42.824 0.362 1
1 409 . 10 1 1 A 41 41 LEU N N 41 122.633 121.026 1.607 1
1 410 . 10 1 1 A 42 42 THR H H 42 8.040 8.174 -0.134 1
1 411 . 10 1 1 A 42 42 THR HA H 42 4.770 4.910 -0.140 1
1 416 . 10 1 1 A 42 42 THR C C 42 175.548 175.195 0.353 1
1 417 . 10 1 1 A 42 42 THR CA C 42 59.354 59.823 -0.469 1
1 418 . 10 1 1 A 42 42 THR CB C 42 71.538 70.986 0.552 1
1 420 . 10 1 1 A 42 42 THR N N 42 117.269 120.063 -2.794 1
1 421 . 10 1 1 A 43 43 LYS H H 43 8.841 9.043 -0.202 1
1 422 . 10 1 1 A 43 43 LYS HA H 43 3.780 3.890 -0.110 1
1 428 . 10 1 1 A 43 43 LYS C C 43 177.649 178.052 -0.403 1
1 429 . 10 1 1 A 43 43 LYS CA C 43 59.948 59.964 -0.016 1
1 430 . 10 1 1 A 43 43 LYS CB C 43 32.318 31.992 0.326 1
1 432 . 10 1 1 A 43 43 LYS N N 43 120.046 128.757 -8.711 1
1 433 . 10 1 1 A 44 44 GLU H H 44 8.565 8.282 0.283 1
1 434 . 10 1 1 A 44 44 GLU HA H 44 4.200 4.074 0.126 1
1 438 . 10 1 1 A 44 44 GLU C C 44 177.413 178.902 -1.489 1
1 439 . 10 1 1 A 44 44 GLU CA C 44 58.761 58.810 -0.049 1
1 440 . 10 1 1 A 44 44 GLU CB C 44 28.613 28.496 0.117 1
1 441 . 10 1 1 A 44 44 GLU N N 44 117.096 117.557 -0.461 1
1 442 . 10 1 1 A 45 45 GLN H H 45 7.667 8.830 -1.163 1
1 443 . 10 1 1 A 45 45 GLN HA H 45 4.230 4.059 0.171 1
1 446 . 10 1 1 A 45 45 GLN C C 45 174.680 176.404 -1.724 1
1 447 . 10 1 1 A 45 45 GLN CA C 45 56.637 58.608 -1.971 1
1 448 . 10 1 1 A 45 45 GLN CB C 45 30.099 28.711 1.388 1
1 449 . 10 1 1 A 45 45 GLN N N 45 116.509 119.845 -3.336 1
1 450 . 10 1 1 A 46 46 ILE H H 46 7.595 7.317 0.278 1
1 451 . 10 1 1 A 46 46 ILE HA H 46 4.385 3.996 0.389 1
1 461 . 10 1 1 A 46 46 ILE C C 46 174.202 175.495 -1.293 1
1 462 . 10 1 1 A 46 46 ILE CA C 46 60.775 62.511 -1.736 1
1 463 . 10 1 1 A 46 46 ILE CB C 46 38.470 37.977 0.493 1
1 467 . 10 1 1 A 46 46 ILE N N 46 120.018 120.316 -0.298 1
1 468 . 10 1 1 A 47 47 SER H H 47 7.948 8.674 -0.726 1
1 469 . 10 1 1 A 47 47 SER HA H 47 4.915 5.065 -0.150 1
1 472 . 10 1 1 A 47 47 SER C C 47 172.724 173.584 -0.860 1
1 473 . 10 1 1 A 47 47 SER CA C 47 57.092 58.213 -1.121 1
1 474 . 10 1 1 A 47 47 SER CB C 47 64.837 63.392 1.445 1
1 475 . 10 1 1 A 47 47 SER N N 47 120.935 125.439 -4.504 1
1 476 . 10 1 1 A 48 48 LEU H H 48 8.665 9.077 -0.412 1
1 477 . 10 1 1 A 48 48 LEU HA H 48 5.707 5.223 0.484 1
1 487 . 10 1 1 A 48 48 LEU C C 48 177.942 176.579 1.363 1
1 488 . 10 1 1 A 48 48 LEU CA C 48 53.244 54.378 -1.134 1
1 489 . 10 1 1 A 48 48 LEU CB C 48 44.148 43.297 0.851 1
1 493 . 10 1 1 A 48 48 LEU N N 48 124.499 126.630 -2.131 1
1 494 . 10 1 1 A 49 49 TRP H H 49 9.205 8.968 0.237 1
1 495 . 10 1 1 A 49 49 TRP HA H 49 5.819 5.043 0.776 1
1 498 . 10 1 1 A 49 49 TRP C C 49 172.596 174.182 -1.586 1
1 499 . 10 1 1 A 49 49 TRP CA C 49 57.390 57.593 -0.203 1
1 500 . 10 1 1 A 49 49 TRP CB C 49 32.341 32.860 -0.519 1
1 501 . 10 1 1 A 49 49 TRP N N 49 122.571 125.262 -2.691 1
1 503 . 10 1 1 A 50 50 ILE H H 50 8.559 8.117 0.442 1
1 504 . 10 1 1 A 50 50 ILE HA H 50 4.570 5.099 -0.529 1
1 514 . 10 1 1 A 50 50 ILE C C 50 174.443 174.907 -0.464 1
1 515 . 10 1 1 A 50 50 ILE CA C 50 59.706 59.787 -0.081 1
1 516 . 10 1 1 A 50 50 ILE CB C 50 42.605 41.077 1.528 1
1 520 . 10 1 1 A 50 50 ILE N N 50 113.357 127.840 -14.483 1
1 521 . 10 1 1 A 51 51 ASP H H 51 8.497 9.115 -0.618 1
1 522 . 10 1 1 A 51 51 ASP HA H 51 5.226 5.540 -0.314 1
1 525 . 10 1 1 A 51 51 ASP C C 51 177.162 174.859 2.303 1
1 526 . 10 1 1 A 51 51 ASP CA C 51 52.584 52.743 -0.159 1
1 527 . 10 1 1 A 51 51 ASP CB C 51 43.343 42.180 1.163 1
1 528 . 10 1 1 A 51 51 ASP N N 51 122.696 124.425 -1.729 1
1 529 . 10 1 1 A 52 52 ALA H H 52 9.021 8.793 0.228 1
1 530 . 10 1 1 A 52 52 ALA HA H 52 4.410 4.589 -0.179 1
1 534 . 10 1 1 A 52 52 ALA C C 52 174.841 176.942 -2.101 1
1 535 . 10 1 1 A 52 52 ALA CA C 52 51.807 51.407 0.400 1
1 536 . 10 1 1 A 52 52 ALA CB C 52 18.117 19.044 -0.927 1
1 537 . 10 1 1 A 52 52 ALA N N 52 131.046 128.055 2.991 1
1 538 . 10 1 1 A 53 53 THR H H 53 8.250 7.693 0.557 1
1 539 . 10 1 1 A 53 53 THR HA H 53 3.880 4.141 -0.261 1
1 544 . 10 1 1 A 53 53 THR C C 53 177.316 175.678 1.638 1
1 545 . 10 1 1 A 53 53 THR CA C 53 66.288 63.813 2.475 1
1 546 . 10 1 1 A 53 53 THR CB C 53 68.896 68.590 0.306 1
1 548 . 10 1 1 A 53 53 THR N N 53 116.426 114.734 1.692 1
1 549 . 10 1 1 A 54 54 GLY H H 54 9.304 8.964 0.340 1
1 550 . 10 1 1 A 54 54 GLY HA2 H 54 3.950 3.963 -0.013 1
1 551 . 10 1 1 A 54 54 GLY HA3 H 54 3.770 3.972 -0.202 1
1 552 . 10 1 1 A 54 54 GLY C C 54 174.142 174.395 -0.253 1
1 553 . 10 1 1 A 54 54 GLY CA C 54 45.832 45.002 0.830 1
1 554 . 10 1 1 A 54 54 GLY N N 54 115.462 116.553 -1.091 1
1 555 . 10 1 1 A 55 55 LYS H H 55 7.588 7.796 -0.208 1
1 556 . 10 1 1 A 55 55 LYS HA H 55 4.067 3.972 0.095 1
1 565 . 10 1 1 A 55 55 LYS C C 55 174.805 175.730 -0.925 1
1 566 . 10 1 1 A 55 55 LYS CA C 55 54.856 56.800 -1.944 1
1 567 . 10 1 1 A 55 55 LYS CB C 55 32.971 33.711 -0.740 1
1 571 . 10 1 1 A 55 55 LYS N N 55 120.231 120.755 -0.524 1
1 572 . 10 1 1 A 56 56 ALA H H 56 7.619 8.313 -0.694 1
1 573 . 10 1 1 A 56 56 ALA HA H 56 4.620 4.703 -0.083 1
1 577 . 10 1 1 A 56 56 ALA C C 56 177.034 176.332 0.702 1
1 578 . 10 1 1 A 56 56 ALA CA C 56 49.962 51.201 -1.239 1
1 579 . 10 1 1 A 56 56 ALA CB C 56 21.814 22.540 -0.726 1
1 580 . 10 1 1 A 56 56 ALA N N 56 121.951 120.619 1.332 1
1 581 . 10 1 1 A 57 57 VAL H H 57 7.896 8.500 -0.604 1
1 582 . 10 1 1 A 57 57 VAL HA H 57 3.520 3.704 -0.184 1
1 590 . 10 1 1 A 57 57 VAL C C 57 175.691 176.479 -0.788 1
1 591 . 10 1 1 A 57 57 VAL CA C 57 64.652 65.091 -0.439 1
1 592 . 10 1 1 A 57 57 VAL CB C 57 32.644 31.559 1.085 1
1 595 . 10 1 1 A 57 57 VAL N N 57 116.475 119.241 -2.766 1
1 596 . 10 1 1 A 58 58 GLY H H 58 8.429 8.565 -0.136 1
1 597 . 10 1 1 A 58 58 GLY HA2 H 58 4.442 4.051 0.391 1
1 598 . 10 1 1 A 58 58 GLY HA3 H 58 3.739 4.072 -0.333 1
1 599 . 10 1 1 A 58 58 GLY C C 58 170.877 172.397 -1.520 1
1 600 . 10 1 1 A 58 58 GLY CA C 58 43.207 44.184 -0.977 1
1 601 . 10 1 1 A 58 58 GLY N N 58 113.209 112.112 1.097 1
1 602 . 10 1 1 A 59 59 GLU H H 59 8.017 8.114 -0.097 1
1 603 . 10 1 1 A 59 59 GLU HA H 59 4.690 5.080 -0.390 1
1 606 . 10 1 1 A 59 59 GLU C C 59 175.309 175.162 0.147 1
1 607 . 10 1 1 A 59 59 GLU CA C 59 55.370 54.716 0.654 1
1 608 . 10 1 1 A 59 59 GLU CB C 59 32.114 32.804 -0.690 1
1 610 . 10 1 1 A 59 59 GLU N N 59 119.976 121.672 -1.696 1
1 611 . 10 1 1 A 60 60 HIS H H 60 9.001 8.937 0.064 1
1 612 . 10 1 1 A 60 60 HIS HA H 60 4.637 4.848 -0.211 1
1 615 . 10 1 1 A 60 60 HIS C C 60 173.585 173.977 -0.392 1
1 616 . 10 1 1 A 60 60 HIS CA C 60 55.364 55.016 0.348 1
1 617 . 10 1 1 A 60 60 HIS CB C 60 33.699 33.295 0.404 1
1 618 . 10 1 1 A 60 60 HIS N N 60 125.266 120.527 4.739 1
1 619 . 10 1 1 A 61 61 THR H H 61 8.712 8.759 -0.047 1
1 620 . 10 1 1 A 61 61 THR HA H 61 5.333 4.913 0.420 1
1 625 . 10 1 1 A 61 61 THR C C 61 175.155 173.931 1.224 1
1 626 . 10 1 1 A 61 61 THR CA C 61 62.600 61.643 0.957 1
1 627 . 10 1 1 A 61 61 THR CB C 61 69.914 70.064 -0.150 1
1 628 . 10 1 1 A 61 61 THR N N 61 120.973 117.922 3.051 1
1 629 . 10 1 1 A 62 62 VAL H H 62 9.313 9.218 0.095 1
1 630 . 10 1 1 A 62 62 VAL HA H 62 4.910 4.865 0.045 1
1 638 . 10 1 1 A 62 62 VAL C C 62 173.545 174.330 -0.785 1
1 639 . 10 1 1 A 62 62 VAL CA C 62 58.734 59.329 -0.595 1
1 640 . 10 1 1 A 62 62 VAL CB C 62 36.638 35.523 1.115 1
1 643 . 10 1 1 A 62 62 VAL N N 62 120.591 120.556 0.035 1
1 644 . 10 1 1 A 63 63 LYS H H 63 7.815 8.691 -0.876 1
1 645 . 10 1 1 A 63 63 LYS HA H 63 4.552 4.724 -0.172 1
1 650 . 10 1 1 A 63 63 LYS C C 63 175.805 176.398 -0.593 1
1 651 . 10 1 1 A 63 63 LYS CA C 63 54.680 55.856 -1.176 1
1 652 . 10 1 1 A 63 63 LYS CB C 63 32.896 33.682 -0.786 1
1 656 . 10 1 1 A 63 63 LYS N N 63 118.768 123.656 -4.888 1
1 657 . 10 1 1 A 64 64 ILE H H 64 8.349 8.370 -0.021 1
1 658 . 10 1 1 A 64 64 ILE HA H 64 3.870 4.602 -0.732 1
1 668 . 10 1 1 A 64 64 ILE C C 64 175.894 174.119 1.775 1
1 669 . 10 1 1 A 64 64 ILE CA C 64 61.324 60.865 0.459 1
1 670 . 10 1 1 A 64 64 ILE CB C 64 39.638 37.279 2.359 1
1 674 . 10 1 1 A 64 64 ILE N N 64 121.703 124.754 -3.051 1
1 675 . 10 1 1 A 65 65 TYR H H 65 8.491 9.123 -0.632 1
1 676 . 10 1 1 A 65 65 TYR CA C 65 57.180 55.728 1.452 1
1 677 . 10 1 1 A 65 65 TYR CB C 65 37.490 38.223 -0.733 1
1 678 . 10 1 1 A 65 65 TYR N N 65 125.077 128.960 -3.883 1
1 680 . 10 1 1 A 66 66 TRP C C 66 175.586 175.305 0.281 1
1 681 . 10 1 1 A 66 66 TRP CB C 66 33.607 31.251 2.356 1
1 683 . 10 1 1 A 67 67 GLN H H 67 9.048 9.429 -0.381 1
1 684 . 10 1 1 A 67 67 GLN HA H 67 4.751 4.924 -0.173 1
1 687 . 10 1 1 A 67 67 GLN C C 67 174.057 174.586 -0.529 1
1 688 . 10 1 1 A 67 67 GLN CA C 67 56.338 55.033 1.305 1
1 689 . 10 1 1 A 67 67 GLN CB C 67 32.401 32.994 -0.593 1
1 690 . 10 1 1 A 67 67 GLN N N 67 119.746 118.604 1.142 1
1 691 . 10 1 1 A 68 68 LEU H H 68 8.898 8.914 -0.016 1
1 692 . 10 1 1 A 68 68 LEU HA H 68 5.160 5.089 0.071 1
1 702 . 10 1 1 A 68 68 LEU CA C 68 51.902 50.990 0.912 1
1 703 . 10 1 1 A 68 68 LEU CB C 68 45.191 44.402 0.789 1
1 707 . 10 1 1 A 68 68 LEU N N 68 126.170 120.150 6.020 1
1 708 . 10 1 1 A 69 69 PRO HA H 69 4.511 4.614 -0.103 1
1 715 . 10 1 1 A 69 69 PRO C C 69 175.054 176.159 -1.105 1
1 716 . 10 1 1 A 69 69 PRO CA C 69 62.538 63.618 -1.080 1
1 717 . 10 1 1 A 69 69 PRO CB C 69 32.297 32.821 -0.524 1
1 720 . 10 1 1 A 70 70 ALA H H 70 8.307 7.842 0.465 1
1 721 . 10 1 1 A 70 70 ALA HA H 70 4.180 4.397 -0.217 1
1 725 . 10 1 1 A 70 70 ALA C C 70 178.404 178.062 0.342 1
1 726 . 10 1 1 A 70 70 ALA CA C 70 53.532 52.004 1.528 1
1 727 . 10 1 1 A 70 70 ALA CB C 70 18.613 20.549 -1.936 1
1 728 . 10 1 1 A 70 70 ALA N N 70 123.217 123.904 -0.687 1
1 729 . 10 1 1 A 71 71 GLY H H 71 8.667 8.338 0.329 1
1 730 . 10 1 1 A 71 71 GLY HA2 H 71 4.230 4.128 0.102 1
1 731 . 10 1 1 A 71 71 GLY HA3 H 71 3.650 4.134 -0.484 1
1 732 . 10 1 1 A 71 71 GLY C C 71 173.707 174.399 -0.692 1
1 733 . 10 1 1 A 71 71 GLY CA C 71 45.049 46.127 -1.078 1
1 734 . 10 1 1 A 71 71 GLY N N 71 108.062 107.885 0.177 1
1 735 . 10 1 1 A 72 72 ILE H H 72 7.448 7.711 -0.263 1
1 736 . 10 1 1 A 72 72 ILE HA H 72 4.569 4.660 -0.091 1
1 745 . 10 1 1 A 72 72 ILE C C 72 174.450 175.164 -0.714 1
1 746 . 10 1 1 A 72 72 ILE CA C 72 60.281 59.474 0.807 1
1 747 . 10 1 1 A 72 72 ILE CB C 72 37.826 40.234 -2.408 1
1 751 . 10 1 1 A 72 72 ILE N N 72 118.695 117.213 1.482 1
1 752 . 10 1 1 A 73 73 GLU H H 73 8.767 8.718 0.049 1
1 755 . 10 1 1 A 73 73 GLU C C 73 175.210 175.870 -0.660 1
1 756 . 10 1 1 A 73 73 GLU CA C 73 54.306 54.488 -0.182 1
1 757 . 10 1 1 A 73 73 GLU CB C 73 32.927 33.351 -0.424 1
1 758 . 10 1 1 A 73 73 GLU N N 73 126.361 121.098 5.263 1
1 759 . 10 1 1 A 74 74 MET H H 74 8.618 8.746 -0.128 1
1 760 . 10 1 1 A 74 74 MET HA H 74 4.307 4.816 -0.509 1
1 764 . 10 1 1 A 74 74 MET C C 74 175.176 176.609 -1.433 1
1 765 . 10 1 1 A 74 74 MET CA C 74 53.791 55.030 -1.239 1
1 766 . 10 1 1 A 74 74 MET CB C 74 31.127 33.130 -2.003 1
1 768 . 10 1 1 A 74 74 MET N N 74 124.594 121.276 3.318 1
1 769 . 10 1 1 A 75 75 VAL H H 75 8.679 8.798 -0.119 1
1 770 . 10 1 1 A 75 75 VAL HA H 75 3.922 4.014 -0.092 1
1 778 . 10 1 1 A 75 75 VAL C C 75 176.056 176.055 0.001 1
1 779 . 10 1 1 A 75 75 VAL CA C 75 64.246 64.024 0.222 1
1 780 . 10 1 1 A 75 75 VAL CB C 75 32.577 32.603 -0.026 1
1 783 . 10 1 1 A 75 75 VAL N N 75 128.728 124.294 4.434 1
1 784 . 10 1 1 A 76 76 SER H H 76 7.610 7.845 -0.235 1
1 785 . 10 1 1 A 76 76 SER HA H 76 4.641 5.002 -0.361 1
1 787 . 10 1 1 A 76 76 SER C C 76 171.007 172.674 -1.667 1
1 788 . 10 1 1 A 76 76 SER CA C 76 57.618 57.495 0.123 1
1 789 . 10 1 1 A 76 76 SER CB C 76 65.001 67.249 -2.248 1
1 790 . 10 1 1 A 76 76 SER N N 76 112.117 113.391 -1.274 1
1 791 . 10 1 1 A 77 77 ILE H H 77 8.019 9.116 -1.097 1
1 792 . 10 1 1 A 77 77 ILE HA H 77 4.790 4.812 -0.022 1
1 802 . 10 1 1 A 77 77 ILE CA C 77 57.476 57.705 -0.229 1
1 803 . 10 1 1 A 77 77 ILE CB C 77 41.550 39.883 1.667 1
1 806 . 10 1 1 A 77 77 ILE N N 77 124.876 122.733 2.143 1
1 807 . 10 1 1 A 78 78 PRO HA H 78 4.662 4.904 -0.242 1
1 814 . 10 1 1 A 78 78 PRO C C 78 176.687 176.194 0.493 1
1 815 . 10 1 1 A 78 78 PRO CA C 78 62.854 62.245 0.609 1
1 816 . 10 1 1 A 78 78 PRO CB C 78 36.960 32.676 4.284 1
1 819 . 10 1 1 A 79 79 ASP H H 79 7.912 8.637 -0.725 1
1 820 . 10 1 1 A 79 79 ASP HA H 79 4.980 5.654 -0.674 1
1 823 . 10 1 1 A 79 79 ASP C C 79 175.812 174.273 1.539 1
1 824 . 10 1 1 A 79 79 ASP CA C 79 54.046 52.156 1.890 1
1 825 . 10 1 1 A 79 79 ASP CB C 79 41.269 45.225 -3.956 1
1 826 . 10 1 1 A 79 79 ASP N N 79 118.235 117.826 0.409 1
1 827 . 10 1 1 A 80 80 VAL H H 80 8.641 8.547 0.094 1
1 828 . 10 1 1 A 80 80 VAL HA H 80 4.623 4.795 -0.172 1
1 836 . 10 1 1 A 80 80 VAL C C 80 172.960 173.189 -0.229 1
1 837 . 10 1 1 A 80 80 VAL CA C 80 60.561 60.071 0.490 1
1 838 . 10 1 1 A 80 80 VAL CB C 80 36.112 35.715 0.397 1
1 841 . 10 1 1 A 80 80 VAL N N 80 116.881 119.496 -2.615 1
1 842 . 10 1 1 A 81 81 THR H H 81 8.304 8.384 -0.080 1
1 843 . 10 1 1 A 81 81 THR HA H 81 5.822 5.407 0.415 1
1 848 . 10 1 1 A 81 81 THR C C 81 173.431 172.576 0.855 1
1 849 . 10 1 1 A 81 81 THR CA C 81 61.014 60.871 0.143 1
1 850 . 10 1 1 A 81 81 THR CB C 81 70.663 71.959 -1.296 1
1 852 . 10 1 1 A 81 81 THR N N 81 123.670 122.072 1.598 1
1 853 . 10 1 1 A 82 82 TYR H H 82 9.293 8.955 0.338 1
1 854 . 10 1 1 A 82 82 TYR HA H 82 5.040 5.107 -0.067 1
1 857 . 10 1 1 A 82 82 TYR C C 82 172.210 174.220 -2.010 1
1 858 . 10 1 1 A 82 82 TYR CA C 82 55.640 56.392 -0.752 1
1 859 . 10 1 1 A 82 82 TYR CB C 82 41.461 43.455 -1.994 1
1 860 . 10 1 1 A 82 82 TYR N N 82 124.984 122.740 2.244 1
1 861 . 10 1 1 A 83 83 THR H H 83 8.774 8.349 0.425 1
1 862 . 10 1 1 A 83 83 THR HA H 83 5.150 5.175 -0.025 1
1 864 . 10 1 1 A 83 83 THR C C 83 173.942 173.740 0.202 1
1 865 . 10 1 1 A 83 83 THR CA C 83 61.324 61.532 -0.208 1
1 866 . 10 1 1 A 83 83 THR CB C 83 71.117 70.857 0.260 1
1 867 . 10 1 1 A 83 83 THR N N 83 115.669 115.895 -0.226 1
1 868 . 10 1 1 A 84 84 LEU H H 84 8.859 8.739 0.120 1
1 869 . 10 1 1 A 84 84 LEU HA H 84 5.400 5.310 0.090 1
1 879 . 10 1 1 A 84 84 LEU C C 84 176.575 176.187 0.388 1
1 880 . 10 1 1 A 84 84 LEU CA C 84 52.755 53.290 -0.535 1
1 881 . 10 1 1 A 84 84 LEU CB C 84 44.443 44.867 -0.424 1
1 885 . 10 1 1 A 84 84 LEU N N 84 125.146 125.074 0.072 1
1 886 . 10 1 1 A 85 85 LYS H H 85 9.505 8.641 0.864 1
1 887 . 10 1 1 A 85 85 LYS HA H 85 4.793 4.973 -0.180 1
1 893 . 10 1 1 A 85 85 LYS C C 85 173.593 175.324 -1.731 1
1 894 . 10 1 1 A 85 85 LYS CA C 85 54.002 54.413 -0.411 1
1 895 . 10 1 1 A 85 85 LYS CB C 85 36.173 35.480 0.693 1
1 899 . 10 1 1 A 85 85 LYS N N 85 122.212 121.776 0.436 1
1 900 . 10 1 1 A 86 86 ALA H H 86 8.714 8.543 0.171 1
1 901 . 10 1 1 A 86 86 ALA HA H 86 4.489 4.237 0.252 1
1 905 . 10 1 1 A 86 86 ALA C C 86 178.091 177.346 0.745 1
1 906 . 10 1 1 A 86 86 ALA CA C 86 52.548 52.597 -0.049 1
1 907 . 10 1 1 A 86 86 ALA CB C 86 18.787 19.292 -0.505 1
1 908 . 10 1 1 A 86 86 ALA N N 86 123.336 124.945 -1.609 1
1 909 . 10 1 1 A 87 87 LYS H H 87 8.242 8.185 0.057 1
1 910 . 10 1 1 A 87 87 LYS HA H 87 3.963 4.283 -0.320 1
1 917 . 10 1 1 A 87 87 LYS C C 87 176.384 175.426 0.958 1
1 918 . 10 1 1 A 87 87 LYS CA C 87 57.672 57.195 0.477 1
1 919 . 10 1 1 A 87 87 LYS CB C 87 33.298 33.049 0.249 1
1 922 . 10 1 1 A 87 87 LYS N N 87 122.855 121.799 1.056 1
1 923 . 10 1 1 A 88 88 GLU H H 88 8.485 8.512 -0.027 1
1 924 . 10 1 1 A 88 88 GLU HA H 88 4.305 4.641 -0.336 1
1 926 . 10 1 1 A 88 88 GLU C C 88 175.437 174.947 0.490 1
1 927 . 10 1 1 A 88 88 GLU CA C 88 55.863 56.214 -0.351 1
1 928 . 10 1 1 A 88 88 GLU CB C 88 30.831 29.974 0.857 1
1 929 . 10 1 1 A 88 88 GLU N N 88 122.851 126.017 -3.166 1
1 930 . 10 1 1 A 89 89 ASP H H 89 8.522 8.729 -0.207 1
1 931 . 10 1 1 A 89 89 ASP HA H 89 4.840 4.688 0.152 1
1 934 . 10 1 1 A 89 89 ASP CA C 89 52.036 52.964 -0.928 1
1 935 . 10 1 1 A 89 89 ASP CB C 89 41.551 40.174 1.377 1
1 936 . 10 1 1 A 89 89 ASP N N 89 123.882 127.080 -3.198 1
1 937 . 10 1 1 A 90 90 PRO HA H 90 4.387 4.425 -0.038 1
1 942 . 10 1 1 A 90 90 PRO C C 90 177.292 178.363 -1.071 1
1 943 . 10 1 1 A 90 90 PRO CA C 90 63.694 64.559 -0.865 1
1 944 . 10 1 1 A 90 90 PRO CB C 90 32.270 32.125 0.145 1
1 947 . 10 1 1 A 91 91 LEU H H 91 8.340 8.301 0.039 1
1 948 . 10 1 1 A 91 91 LEU HA H 91 4.230 4.162 0.068 1
1 958 . 10 1 1 A 91 91 LEU C C 91 177.668 177.023 0.645 1
1 959 . 10 1 1 A 91 91 LEU CA C 91 55.381 57.047 -1.666 1
1 960 . 10 1 1 A 91 91 LEU CB C 91 41.733 41.136 0.597 1
1 964 . 10 1 1 A 91 91 LEU N N 91 120.251 115.874 4.377 1
1 965 . 10 1 1 A 92 92 GLU H H 92 7.977 7.953 0.024 1
1 966 . 10 1 1 A 92 92 GLU C C 92 176.310 176.597 -0.287 1
1 967 . 10 1 1 A 92 92 GLU CA C 92 56.745 55.597 1.148 1
1 968 . 10 1 1 A 92 92 GLU CB C 92 30.187 28.616 1.571 1
1 969 . 10 1 1 A 92 92 GLU N N 92 120.217 120.876 -0.659 1
1 970 . 10 1 1 A 93 93 HIS H H 93 8.242 9.158 -0.916 1
1 972 . 10 1 1 A 93 93 HIS C C 93 173.935 174.992 -1.057 1
1 973 . 10 1 1 A 93 93 HIS CA C 93 55.918 53.983 1.935 1
1 974 . 10 1 1 A 93 93 HIS CB C 93 29.960 28.021 1.939 1
1 975 . 10 1 1 A 93 93 HIS N N 93 119.107 126.427 -7.320 1
1 976 . 10 1 1 A 94 94 HIS H H 94 8.164 7.651 0.513 1
1 977 . 10 1 1 A 94 94 HIS CA C 94 57.235 59.679 -2.444 1
1 978 . 10 1 1 A 94 94 HIS CB C 94 30.225 30.169 0.056 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 78 1.078 1
2 1 1 1 "RMS(OBS, PRED)" CA 88 1.207 1
3 1 1 1 "RMS(OBS, PRED)" CB 86 1.396 1
4 1 1 1 "RMS(OBS, PRED)" H 78 0.510 1
5 1 1 1 "RMS(OBS, PRED)" HA 83 0.324 1
6 1 1 1 "RMS(OBS, PRED)" N 77 3.460 1
7 1 2 1 "RMS(OBS, PRED)" C 78 1.070 1
8 1 2 1 "RMS(OBS, PRED)" CA 88 1.338 1
9 1 2 1 "RMS(OBS, PRED)" CB 86 1.561 1
10 1 2 1 "RMS(OBS, PRED)" H 78 0.567 1
11 1 2 1 "RMS(OBS, PRED)" HA 83 0.342 1
12 1 2 1 "RMS(OBS, PRED)" N 77 3.488 1
13 1 3 1 "RMS(OBS, PRED)" C 78 1.136 1
14 1 3 1 "RMS(OBS, PRED)" CA 88 1.100 1
15 1 3 1 "RMS(OBS, PRED)" CB 86 1.432 1
16 1 3 1 "RMS(OBS, PRED)" H 78 0.497 1
17 1 3 1 "RMS(OBS, PRED)" HA 83 0.326 1
18 1 3 1 "RMS(OBS, PRED)" N 77 3.390 1
19 1 4 1 "RMS(OBS, PRED)" C 78 1.129 1
20 1 4 1 "RMS(OBS, PRED)" CA 88 1.340 1
21 1 4 1 "RMS(OBS, PRED)" CB 86 1.669 1
22 1 4 1 "RMS(OBS, PRED)" H 78 0.573 1
23 1 4 1 "RMS(OBS, PRED)" HA 83 0.340 1
24 1 4 1 "RMS(OBS, PRED)" N 77 3.351 1
25 1 5 1 "RMS(OBS, PRED)" C 78 1.144 1
26 1 5 1 "RMS(OBS, PRED)" CA 88 1.235 1
27 1 5 1 "RMS(OBS, PRED)" CB 86 1.536 1
28 1 5 1 "RMS(OBS, PRED)" H 78 0.511 1
29 1 5 1 "RMS(OBS, PRED)" HA 83 0.366 1
30 1 5 1 "RMS(OBS, PRED)" N 77 3.794 1
31 1 6 1 "RMS(OBS, PRED)" C 78 1.173 1
32 1 6 1 "RMS(OBS, PRED)" CA 88 1.349 1
33 1 6 1 "RMS(OBS, PRED)" CB 86 1.615 1
34 1 6 1 "RMS(OBS, PRED)" H 78 0.566 1
35 1 6 1 "RMS(OBS, PRED)" HA 83 0.369 1
36 1 6 1 "RMS(OBS, PRED)" N 77 3.682 1
37 1 7 1 "RMS(OBS, PRED)" C 78 1.093 1
38 1 7 1 "RMS(OBS, PRED)" CA 88 1.271 1
39 1 7 1 "RMS(OBS, PRED)" CB 86 1.461 1
40 1 7 1 "RMS(OBS, PRED)" H 78 0.804 1
41 1 7 1 "RMS(OBS, PRED)" HA 83 0.336 1
42 1 7 1 "RMS(OBS, PRED)" N 77 3.802 1
43 1 8 1 "RMS(OBS, PRED)" C 78 1.026 1
44 1 8 1 "RMS(OBS, PRED)" CA 88 1.299 1
45 1 8 1 "RMS(OBS, PRED)" CB 86 1.524 1
46 1 8 1 "RMS(OBS, PRED)" H 78 0.537 1
47 1 8 1 "RMS(OBS, PRED)" HA 83 0.330 1
48 1 8 1 "RMS(OBS, PRED)" N 77 3.421 1
49 1 9 1 "RMS(OBS, PRED)" C 78 1.163 1
50 1 9 1 "RMS(OBS, PRED)" CA 88 1.141 1
51 1 9 1 "RMS(OBS, PRED)" CB 86 1.542 1
52 1 9 1 "RMS(OBS, PRED)" H 78 0.579 1
53 1 9 1 "RMS(OBS, PRED)" HA 83 0.320 1
54 1 9 1 "RMS(OBS, PRED)" N 77 3.804 1
55 1 10 1 "RMS(OBS, PRED)" C 78 1.122 1
56 1 10 1 "RMS(OBS, PRED)" CA 88 1.220 1
57 1 10 1 "RMS(OBS, PRED)" CB 86 1.450 1
58 1 10 1 "RMS(OBS, PRED)" H 78 0.586 1
59 1 10 1 "RMS(OBS, PRED)" HA 83 0.302 1
60 1 10 1 "RMS(OBS, PRED)" N 77 3.586 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 6 6 ASP C C 6 174.750 176.253 -1.503 2
1 2 . 1 1 A 6 6 ASP CA C 6 55.079 56.208 -1.129 2
1 3 . 1 1 A 6 6 ASP CB C 6 38.799 40.714 -1.915 2
1 4 . 1 1 A 7 7 LEU H H 7 9.403 7.853 1.550 2
1 14 . 1 1 A 7 7 LEU CA C 7 53.136 52.488 0.648 2
1 15 . 1 1 A 7 7 LEU CB C 7 41.601 42.625 -1.024 2
1 18 . 1 1 A 7 7 LEU N N 7 123.103 119.744 3.359 2
1 19 . 1 1 A 8 8 PRO HA H 8 4.880 4.708 0.172 2
1 21 . 1 1 A 8 8 PRO C C 8 175.617 176.221 -0.605 2
1 22 . 1 1 A 8 8 PRO CA C 8 61.559 62.413 -0.854 2
1 23 . 1 1 A 8 8 PRO CB C 8 32.973 30.921 2.052 2
1 24 . 1 1 A 9 9 ILE H H 9 8.721 8.243 0.478 2
1 25 . 1 1 A 9 9 ILE HA H 9 4.156 4.560 -0.404 2
1 35 . 1 1 A 9 9 ILE C C 9 175.726 175.480 0.246 2
1 36 . 1 1 A 9 9 ILE CA C 9 60.104 60.773 -0.669 2
1 37 . 1 1 A 9 9 ILE CB C 9 41.286 39.321 1.965 2
1 40 . 1 1 A 9 9 ILE N N 9 118.531 123.718 -5.187 2
1 41 . 1 1 A 10 10 VAL H H 10 8.229 8.726 -0.497 2
1 42 . 1 1 A 10 10 VAL HA H 10 4.146 4.757 -0.611 2
1 50 . 1 1 A 10 10 VAL C C 10 174.221 174.850 -0.629 2
1 51 . 1 1 A 10 10 VAL CA C 10 62.271 61.091 1.180 2
1 52 . 1 1 A 10 10 VAL CB C 10 33.507 33.930 -0.423 2
1 55 . 1 1 A 10 10 VAL N N 10 126.782 126.470 0.312 2
1 56 . 1 1 A 11 11 LEU H H 11 8.533 8.990 -0.457 2
1 57 . 1 1 A 11 11 LEU HA H 11 4.615 5.179 -0.564 2
1 67 . 1 1 A 11 11 LEU C C 11 176.048 176.066 -0.018 2
1 68 . 1 1 A 11 11 LEU CA C 11 54.172 53.787 0.385 2
1 69 . 1 1 A 11 11 LEU CB C 11 42.865 45.299 -2.434 2
1 72 . 1 1 A 11 11 LEU N N 11 128.336 127.375 0.961 2
1 73 . 1 1 A 12 12 ARG H H 12 9.076 8.713 0.363 2
1 74 . 1 1 A 12 12 ARG HA H 12 4.620 4.624 -0.004 2
1 81 . 1 1 A 12 12 ARG C C 12 175.198 176.856 -1.658 2
1 82 . 1 1 A 12 12 ARG CA C 12 55.178 56.261 -1.083 2
1 83 . 1 1 A 12 12 ARG CB C 12 33.105 32.333 0.772 2
1 86 . 1 1 A 12 12 ARG N N 12 126.410 121.410 5.000 2
1 87 . 1 1 A 13 13 ASN H H 13 8.914 8.688 0.226 2
1 88 . 1 1 A 13 13 ASN HA H 13 4.167 4.645 -0.478 2
1 91 . 1 1 A 13 13 ASN C C 13 174.200 175.068 -0.868 2
1 92 . 1 1 A 13 13 ASN CA C 13 54.189 54.730 -0.540 2
1 93 . 1 1 A 13 13 ASN CB C 13 37.053 37.923 -0.870 2
1 94 . 1 1 A 13 13 ASN N N 13 115.665 116.922 -1.257 2
1 95 . 1 1 A 14 14 LEU H H 14 8.096 8.246 -0.151 2
1 96 . 1 1 A 14 14 LEU HA H 14 4.160 4.461 -0.301 2
1 106 . 1 1 A 14 14 LEU CA C 14 53.789 52.033 1.756 2
1 107 . 1 1 A 14 14 LEU CB C 14 42.801 42.108 0.693 2
1 111 . 1 1 A 14 14 LEU N N 14 121.110 121.759 -0.649 2
1 112 . 1 1 A 15 15 PRO HA H 15 4.400 4.540 -0.139 2
1 118 . 1 1 A 15 15 PRO C C 15 176.937 177.525 -0.588 2
1 119 . 1 1 A 15 15 PRO CA C 15 63.627 63.113 0.514 2
1 120 . 1 1 A 15 15 PRO CB C 15 32.770 32.725 0.045 2
1 123 . 1 1 A 16 16 GLU H H 16 8.472 8.682 -0.210 2
1 124 . 1 1 A 16 16 GLU HA H 16 4.083 4.045 0.038 2
1 126 . 1 1 A 16 16 GLU C C 16 176.530 177.010 -0.480 2
1 127 . 1 1 A 16 16 GLU CA C 16 58.767 58.925 -0.158 2
1 128 . 1 1 A 16 16 GLU CB C 16 29.951 29.248 0.703 2
1 129 . 1 1 A 16 16 GLU N N 16 119.567 122.116 -2.549 2
1 130 . 1 1 A 17 17 ASP H H 17 8.654 7.897 0.757 2
1 131 . 1 1 A 17 17 ASP HA H 17 4.600 4.717 -0.117 2
1 134 . 1 1 A 17 17 ASP C C 17 175.057 174.972 0.085 2
1 135 . 1 1 A 17 17 ASP CA C 17 54.212 54.124 0.088 2
1 136 . 1 1 A 17 17 ASP CB C 17 40.065 41.680 -1.615 2
1 137 . 1 1 A 17 17 ASP N N 17 114.516 118.435 -3.919 2
1 138 . 1 1 A 18 18 LEU H H 18 7.814 7.778 0.036 2
1 139 . 1 1 A 18 18 LEU HA H 18 5.260 4.940 0.320 2
1 149 . 1 1 A 18 18 LEU C C 18 174.434 174.683 -0.249 2
1 150 . 1 1 A 18 18 LEU CA C 18 53.620 53.990 -0.370 2
1 151 . 1 1 A 18 18 LEU CB C 18 46.147 46.495 -0.348 2
1 155 . 1 1 A 18 18 LEU N N 18 120.789 120.647 0.142 2
1 156 . 1 1 A 19 19 VAL H H 19 8.931 8.479 0.452 2
1 157 . 1 1 A 19 19 VAL HA H 19 4.600 4.994 -0.394 2
1 165 . 1 1 A 19 19 VAL C C 19 175.054 173.607 1.447 2
1 166 . 1 1 A 19 19 VAL CA C 19 59.348 59.051 0.297 2
1 167 . 1 1 A 19 19 VAL CB C 19 36.380 36.281 0.099 2
1 170 . 1 1 A 19 19 VAL N N 19 111.130 118.445 -7.315 2
1 171 . 1 1 A 20 20 LEU H H 20 8.339 8.680 -0.341 2
1 172 . 1 1 A 20 20 LEU HA H 20 4.704 4.957 -0.253 2
1 182 . 1 1 A 20 20 LEU C C 20 178.790 177.165 1.625 2
1 183 . 1 1 A 20 20 LEU CA C 20 55.095 53.517 1.579 2
1 184 . 1 1 A 20 20 LEU CB C 20 42.647 45.146 -2.499 2
1 188 . 1 1 A 20 20 LEU N N 20 122.936 124.177 -1.241 2
1 189 . 1 1 A 21 21 GLU H H 21 8.851 8.697 0.153 2
1 190 . 1 1 A 21 21 GLU HA H 21 3.880 4.252 -0.372 2
1 194 . 1 1 A 21 21 GLU C C 21 175.661 176.171 -0.510 2
1 195 . 1 1 A 21 21 GLU CA C 21 59.434 57.231 2.202 2
1 196 . 1 1 A 21 21 GLU CB C 21 31.125 29.419 1.706 2
1 198 . 1 1 A 21 21 GLU N N 21 124.719 123.210 1.509 2
1 199 . 1 1 A 22 22 LYS H H 22 7.591 8.057 -0.467 2
1 200 . 1 1 A 22 22 LYS HA H 22 4.760 4.489 0.271 2
1 203 . 1 1 A 22 22 LYS CA C 22 53.277 55.925 -2.648 2
1 204 . 1 1 A 22 22 LYS CB C 22 34.301 33.930 0.371 2
1 205 . 1 1 A 22 22 LYS N N 22 115.055 116.936 -1.881 2
1 206 . 1 1 A 23 23 PRO HA H 23 4.343 4.358 -0.015 2
1 213 . 1 1 A 23 23 PRO C C 23 176.657 176.948 -0.292 2
1 214 . 1 1 A 23 23 PRO CA C 23 62.800 64.064 -1.264 2
1 215 . 1 1 A 23 23 PRO CB C 23 32.360 31.864 0.496 2
1 218 . 1 1 A 24 24 LEU H H 24 8.507 8.136 0.372 2
1 219 . 1 1 A 24 24 LEU HA H 24 4.460 4.113 0.347 2
1 225 . 1 1 A 24 24 LEU CA C 24 53.311 55.315 -2.004 2
1 226 . 1 1 A 24 24 LEU CB C 24 40.716 41.161 -0.445 2
1 228 . 1 1 A 24 24 LEU N N 24 121.875 120.003 1.872 2
1 229 . 1 1 A 25 25 PRO HA H 25 4.560 4.394 0.166 2
1 232 . 1 1 A 25 25 PRO C C 25 176.019 177.390 -1.371 2
1 233 . 1 1 A 25 25 PRO CA C 25 62.448 64.882 -2.434 2
1 234 . 1 1 A 25 25 PRO CB C 25 32.035 31.418 0.617 2
1 235 . 1 1 A 26 26 GLU H H 26 7.828 9.031 -1.203 2
1 236 . 1 1 A 26 26 GLU HA H 26 4.790 4.248 0.541 2
1 239 . 1 1 A 26 26 GLU C C 26 178.159 175.599 2.560 2
1 240 . 1 1 A 26 26 GLU CA C 26 55.700 56.424 -0.724 2
1 241 . 1 1 A 26 26 GLU CB C 26 30.291 28.784 1.507 2
1 242 . 1 1 A 26 26 GLU N N 26 117.053 118.219 -1.166 2
1 243 . 1 1 A 27 27 VAL H H 27 8.863 8.973 -0.110 2
1 244 . 1 1 A 27 27 VAL HA H 27 4.830 4.457 0.373 2
1 252 . 1 1 A 27 27 VAL C C 27 174.041 174.998 -0.957 2
1 253 . 1 1 A 27 27 VAL CA C 27 59.788 61.017 -1.229 2
1 254 . 1 1 A 27 27 VAL CB C 27 35.937 34.046 1.891 2
1 257 . 1 1 A 27 27 VAL N N 27 114.437 120.786 -6.349 2
1 258 . 1 1 A 28 28 SER H H 28 7.870 8.706 -0.836 2
1 259 . 1 1 A 28 28 SER HA H 28 5.360 5.107 0.253 2
1 261 . 1 1 A 28 28 SER CA C 28 55.629 57.076 -1.447 2
1 262 . 1 1 A 28 28 SER CB C 28 65.215 65.197 0.018 2
1 263 . 1 1 A 28 28 SER N N 28 114.263 120.277 -6.014 2
1 264 . 1 1 A 29 29 VAL HA H 29 4.960 4.812 0.148 2
1 272 . 1 1 A 29 29 VAL C C 29 174.289 175.036 -0.747 2
1 273 . 1 1 A 29 29 VAL CA C 29 58.515 60.113 -1.598 2
1 274 . 1 1 A 29 29 VAL CB C 29 34.903 35.398 -0.495 2
1 277 . 1 1 A 30 30 THR H H 30 8.579 8.745 -0.166 2
1 278 . 1 1 A 30 30 THR HA H 30 5.240 4.681 0.558 2
1 283 . 1 1 A 30 30 THR C C 30 173.452 173.651 -0.200 2
1 284 . 1 1 A 30 30 THR CA C 30 61.702 60.858 0.843 2
1 285 . 1 1 A 30 30 THR CB C 30 70.283 69.066 1.217 2
1 287 . 1 1 A 30 30 THR N N 30 118.278 119.612 -1.334 2
1 288 . 1 1 A 31 31 ILE H H 31 8.919 7.589 1.330 2
1 289 . 1 1 A 31 31 ILE HA H 31 5.138 4.466 0.672 2
1 299 . 1 1 A 31 31 ILE C C 31 173.712 174.881 -1.169 2
1 300 . 1 1 A 31 31 ILE CA C 31 59.199 60.004 -0.805 2
1 301 . 1 1 A 31 31 ILE CB C 31 41.425 40.428 0.998 2
1 305 . 1 1 A 31 31 ILE N N 31 119.853 122.823 -2.970 2
1 306 . 1 1 A 32 32 ARG H H 32 8.715 8.776 -0.061 2
1 307 . 1 1 A 32 32 ARG C C 32 173.382 174.975 -1.593 2
1 308 . 1 1 A 32 32 ARG CA C 32 55.308 54.121 1.187 2
1 309 . 1 1 A 32 32 ARG CB C 32 34.457 34.010 0.447 2
1 310 . 1 1 A 32 32 ARG N N 32 118.433 124.506 -6.073 2
1 311 . 1 1 A 33 33 ALA H H 33 7.873 8.559 -0.686 2
1 312 . 1 1 A 33 33 ALA HA H 33 4.510 4.556 -0.046 2
1 316 . 1 1 A 33 33 ALA C C 33 175.205 176.074 -0.869 2
1 317 . 1 1 A 33 33 ALA CA C 33 51.365 51.073 0.292 2
1 318 . 1 1 A 33 33 ALA CB C 33 23.433 21.555 1.878 2
1 319 . 1 1 A 33 33 ALA N N 33 123.018 124.480 -1.462 2
1 320 . 1 1 A 34 34 TYR H H 34 8.171 8.568 -0.397 2
1 321 . 1 1 A 34 34 TYR HA H 34 4.860 4.662 0.198 2
1 324 . 1 1 A 34 34 TYR CA C 34 56.646 57.171 -0.525 2
1 325 . 1 1 A 34 34 TYR CB C 34 36.668 38.766 -2.098 2
1 326 . 1 1 A 34 34 TYR N N 34 118.901 117.597 1.304 2
1 327 . 1 1 A 35 35 PRO HA H 35 4.100 4.321 -0.221 2
1 330 . 1 1 A 35 35 PRO C C 35 177.893 178.977 -1.084 2
1 331 . 1 1 A 35 35 PRO CA C 35 66.575 65.791 0.784 2
1 332 . 1 1 A 35 35 PRO CB C 35 32.036 31.829 0.207 2
1 333 . 1 1 A 36 36 GLU H H 36 9.144 8.421 0.723 2
1 334 . 1 1 A 36 36 GLU HA H 36 4.090 4.113 -0.023 2
1 337 . 1 1 A 36 36 GLU C C 36 178.276 179.276 -1.000 2
1 338 . 1 1 A 36 36 GLU CA C 36 59.597 59.737 -0.140 2
1 339 . 1 1 A 36 36 GLU CB C 36 28.790 29.305 -0.515 2
1 340 . 1 1 A 36 36 GLU N N 36 115.616 117.470 -1.854 2
1 341 . 1 1 A 37 37 ILE H H 37 7.227 8.040 -0.813 2
1 342 . 1 1 A 37 37 ILE HA H 37 4.020 3.869 0.151 2
1 352 . 1 1 A 37 37 ILE C C 37 178.767 178.053 0.714 2
1 353 . 1 1 A 37 37 ILE CA C 37 62.612 64.472 -1.860 2
1 354 . 1 1 A 37 37 ILE CB C 37 37.690 37.682 0.008 2
1 358 . 1 1 A 37 37 ILE N N 37 117.970 120.569 -2.599 2
1 359 . 1 1 A 38 38 LEU H H 38 7.737 7.694 0.043 2
1 360 . 1 1 A 38 38 LEU HA H 38 3.860 4.255 -0.396 2
1 370 . 1 1 A 38 38 LEU C C 38 179.021 178.906 0.115 2
1 371 . 1 1 A 38 38 LEU CA C 38 57.346 56.115 1.231 2
1 372 . 1 1 A 38 38 LEU CB C 38 41.634 42.144 -0.510 2
1 376 . 1 1 A 38 38 LEU N N 38 119.122 121.255 -2.133 2
1 377 . 1 1 A 39 39 ASN H H 39 8.347 8.546 -0.199 2
1 378 . 1 1 A 39 39 ASN HA H 39 4.440 4.497 -0.057 2
1 380 . 1 1 A 39 39 ASN C C 39 175.797 176.570 -0.773 2
1 381 . 1 1 A 39 39 ASN CA C 39 55.237 56.288 -1.050 2
1 382 . 1 1 A 39 39 ASN CB C 39 38.282 38.651 -0.369 2
1 383 . 1 1 A 39 39 ASN N N 39 115.266 118.117 -2.851 2
1 384 . 1 1 A 40 40 ASN H H 40 7.279 7.649 -0.370 2
1 385 . 1 1 A 40 40 ASN HA H 40 4.842 4.881 -0.040 2
1 388 . 1 1 A 40 40 ASN C C 40 174.085 174.371 -0.286 2
1 389 . 1 1 A 40 40 ASN CA C 40 52.778 53.047 -0.269 2
1 390 . 1 1 A 40 40 ASN CB C 40 39.998 38.983 1.014 2
1 391 . 1 1 A 40 40 ASN N N 40 115.166 114.881 0.285 2
1 392 . 1 1 A 41 41 LEU H H 41 7.151 7.319 -0.168 2
1 393 . 1 1 A 41 41 LEU HA H 41 4.420 4.949 -0.529 2
1 403 . 1 1 A 41 41 LEU C C 41 176.343 174.898 1.445 2
1 404 . 1 1 A 41 41 LEU CA C 41 55.639 53.647 1.992 2
1 405 . 1 1 A 41 41 LEU CB C 41 43.186 44.684 -1.498 2
1 409 . 1 1 A 41 41 LEU N N 41 122.633 121.948 0.685 2
1 410 . 1 1 A 42 42 THR H H 42 8.040 8.588 -0.549 2
1 411 . 1 1 A 42 42 THR HA H 42 4.770 4.927 -0.157 2
1 416 . 1 1 A 42 42 THR C C 42 175.548 175.481 0.067 2
1 417 . 1 1 A 42 42 THR CA C 42 59.354 59.770 -0.416 2
1 418 . 1 1 A 42 42 THR CB C 42 71.538 70.993 0.545 2
1 420 . 1 1 A 42 42 THR N N 42 117.269 119.633 -2.364 2
1 421 . 1 1 A 43 43 LYS H H 43 8.841 8.937 -0.096 2
1 422 . 1 1 A 43 43 LYS HA H 43 3.780 4.009 -0.229 2
1 428 . 1 1 A 43 43 LYS C C 43 177.649 178.278 -0.629 2
1 429 . 1 1 A 43 43 LYS CA C 43 59.948 59.478 0.470 2
1 430 . 1 1 A 43 43 LYS CB C 43 32.318 32.119 0.199 2
1 432 . 1 1 A 43 43 LYS N N 43 120.046 126.629 -6.583 2
1 433 . 1 1 A 44 44 GLU H H 44 8.565 8.258 0.307 2
1 434 . 1 1 A 44 44 GLU HA H 44 4.200 4.088 0.112 2
1 438 . 1 1 A 44 44 GLU C C 44 177.413 179.025 -1.613 2
1 439 . 1 1 A 44 44 GLU CA C 44 58.761 59.203 -0.442 2
1 440 . 1 1 A 44 44 GLU CB C 44 28.613 29.030 -0.417 2
1 441 . 1 1 A 44 44 GLU N N 44 117.096 119.781 -2.684 2
1 442 . 1 1 A 45 45 GLN H H 45 7.667 8.681 -1.014 2
1 443 . 1 1 A 45 45 GLN HA H 45 4.230 4.120 0.110 2
1 446 . 1 1 A 45 45 GLN C C 45 174.680 176.555 -1.875 2
1 447 . 1 1 A 45 45 GLN CA C 45 56.637 58.380 -1.743 2
1 448 . 1 1 A 45 45 GLN CB C 45 30.099 28.899 1.200 2
1 449 . 1 1 A 45 45 GLN N N 45 116.509 119.047 -2.538 2
1 450 . 1 1 A 46 46 ILE H H 46 7.595 7.357 0.238 2
1 451 . 1 1 A 46 46 ILE HA H 46 4.385 3.998 0.387 2
1 461 . 1 1 A 46 46 ILE C C 46 174.202 175.593 -1.391 2
1 462 . 1 1 A 46 46 ILE CA C 46 60.775 62.423 -1.648 2
1 463 . 1 1 A 46 46 ILE CB C 46 38.470 37.976 0.494 2
1 467 . 1 1 A 46 46 ILE N N 46 120.018 120.662 -0.644 2
1 468 . 1 1 A 47 47 SER H H 47 7.948 8.503 -0.555 2
1 469 . 1 1 A 47 47 SER HA H 47 4.915 5.013 -0.098 2
1 472 . 1 1 A 47 47 SER C C 47 172.724 173.717 -0.993 2
1 473 . 1 1 A 47 47 SER CA C 47 57.092 57.990 -0.898 2
1 474 . 1 1 A 47 47 SER CB C 47 64.837 63.640 1.197 2
1 475 . 1 1 A 47 47 SER N N 47 120.935 124.825 -3.890 2
1 476 . 1 1 A 48 48 LEU H H 48 8.665 8.982 -0.317 2
1 477 . 1 1 A 48 48 LEU HA H 48 5.707 5.256 0.450 2
1 487 . 1 1 A 48 48 LEU C C 48 177.942 175.802 2.140 2
1 488 . 1 1 A 48 48 LEU CA C 48 53.244 53.966 -0.722 2
1 489 . 1 1 A 48 48 LEU CB C 48 44.148 44.879 -0.731 2
1 493 . 1 1 A 48 48 LEU N N 48 124.499 126.381 -1.882 2
1 494 . 1 1 A 49 49 TRP H H 49 9.205 8.794 0.411 2
1 495 . 1 1 A 49 49 TRP HA H 49 5.819 5.186 0.633 2
1 498 . 1 1 A 49 49 TRP C C 49 172.596 174.094 -1.498 2
1 499 . 1 1 A 49 49 TRP CA C 49 57.390 57.206 0.184 2
1 500 . 1 1 A 49 49 TRP CB C 49 32.341 32.862 -0.521 2
1 501 . 1 1 A 49 49 TRP N N 49 122.571 124.595 -2.024 2
1 503 . 1 1 A 50 50 ILE H H 50 8.559 8.666 -0.107 2
1 504 . 1 1 A 50 50 ILE HA H 50 4.570 4.514 0.056 2
1 514 . 1 1 A 50 50 ILE C C 50 174.443 174.087 0.356 2
1 515 . 1 1 A 50 50 ILE CA C 50 59.706 59.687 0.019 2
1 516 . 1 1 A 50 50 ILE CB C 50 42.605 40.261 2.344 2
1 520 . 1 1 A 50 50 ILE N N 50 113.357 126.571 -13.214 2
1 521 . 1 1 A 51 51 ASP H H 51 8.497 8.578 -0.081 2
1 522 . 1 1 A 51 51 ASP HA H 51 5.226 5.096 0.130 2
1 525 . 1 1 A 51 51 ASP C C 51 177.162 175.815 1.347 2
1 526 . 1 1 A 51 51 ASP CA C 51 52.584 52.750 -0.166 2
1 527 . 1 1 A 51 51 ASP CB C 51 43.343 41.144 2.200 2
1 528 . 1 1 A 51 51 ASP N N 51 122.696 126.282 -3.586 2
1 529 . 1 1 A 52 52 ALA H H 52 9.021 8.717 0.303 2
1 530 . 1 1 A 52 52 ALA HA H 52 4.410 4.597 -0.187 2
1 534 . 1 1 A 52 52 ALA C C 52 174.841 177.101 -2.260 2
1 535 . 1 1 A 52 52 ALA CA C 52 51.807 51.452 0.355 2
1 536 . 1 1 A 52 52 ALA CB C 52 18.117 18.962 -0.845 2
1 537 . 1 1 A 52 52 ALA N N 52 131.046 127.931 3.115 2
1 538 . 1 1 A 53 53 THR H H 53 8.250 7.609 0.641 2
1 539 . 1 1 A 53 53 THR HA H 53 3.880 4.264 -0.384 2
1 544 . 1 1 A 53 53 THR C C 53 177.316 175.516 1.800 2
1 545 . 1 1 A 53 53 THR CA C 53 66.288 63.301 2.987 2
1 546 . 1 1 A 53 53 THR CB C 53 68.896 68.769 0.127 2
1 548 . 1 1 A 53 53 THR N N 53 116.426 113.519 2.907 2
1 549 . 1 1 A 54 54 GLY H H 54 9.304 8.930 0.374 2
1 550 . 1 1 A 54 54 GLY HA2 H 54 3.950 3.911 0.039 2
1 551 . 1 1 A 54 54 GLY HA3 H 54 3.770 3.918 -0.148 2
1 552 . 1 1 A 54 54 GLY C C 54 174.142 174.368 -0.226 2
1 553 . 1 1 A 54 54 GLY CA C 54 45.832 45.723 0.109 2
1 554 . 1 1 A 54 54 GLY N N 54 115.462 115.300 0.162 2
1 555 . 1 1 A 55 55 LYS H H 55 7.588 7.781 -0.193 2
1 556 . 1 1 A 55 55 LYS HA H 55 4.067 4.338 -0.271 2
1 565 . 1 1 A 55 55 LYS C C 55 174.805 175.655 -0.850 2
1 566 . 1 1 A 55 55 LYS CA C 55 54.856 55.825 -0.969 2
1 567 . 1 1 A 55 55 LYS CB C 55 32.971 33.861 -0.891 2
1 571 . 1 1 A 55 55 LYS N N 55 120.231 120.659 -0.428 2
1 572 . 1 1 A 56 56 ALA H H 56 7.619 8.470 -0.851 2
1 573 . 1 1 A 56 56 ALA HA H 56 4.620 4.662 -0.042 2
1 577 . 1 1 A 56 56 ALA C C 56 177.034 177.059 -0.025 2
1 578 . 1 1 A 56 56 ALA CA C 56 49.962 51.249 -1.287 2
1 579 . 1 1 A 56 56 ALA CB C 56 21.814 21.714 0.100 2
1 580 . 1 1 A 56 56 ALA N N 56 121.951 125.038 -3.087 2
1 581 . 1 1 A 57 57 VAL H H 57 7.896 8.491 -0.595 2
1 582 . 1 1 A 57 57 VAL HA H 57 3.520 3.752 -0.232 2
1 590 . 1 1 A 57 57 VAL C C 57 175.691 176.432 -0.741 2
1 591 . 1 1 A 57 57 VAL CA C 57 64.652 64.880 -0.228 2
1 592 . 1 1 A 57 57 VAL CB C 57 32.644 31.645 0.999 2
1 595 . 1 1 A 57 57 VAL N N 57 116.475 119.252 -2.777 2
1 596 . 1 1 A 58 58 GLY H H 58 8.429 8.612 -0.183 2
1 597 . 1 1 A 58 58 GLY HA2 H 58 4.442 4.118 0.324 2
1 598 . 1 1 A 58 58 GLY HA3 H 58 3.739 4.144 -0.405 2
1 599 . 1 1 A 58 58 GLY C C 58 170.877 172.604 -1.727 2
1 600 . 1 1 A 58 58 GLY CA C 58 43.207 44.219 -1.012 2
1 601 . 1 1 A 58 58 GLY N N 58 113.209 112.011 1.198 2
1 602 . 1 1 A 59 59 GLU H H 59 8.017 8.265 -0.248 2
1 603 . 1 1 A 59 59 GLU HA H 59 4.690 5.121 -0.431 2
1 606 . 1 1 A 59 59 GLU C C 59 175.309 175.061 0.248 2
1 607 . 1 1 A 59 59 GLU CA C 59 55.370 55.241 0.129 2
1 608 . 1 1 A 59 59 GLU CB C 59 32.114 31.590 0.524 2
1 610 . 1 1 A 59 59 GLU N N 59 119.976 119.800 0.176 2
1 611 . 1 1 A 60 60 HIS H H 60 9.001 8.763 0.238 2
1 612 . 1 1 A 60 60 HIS HA H 60 4.637 4.926 -0.289 2
1 615 . 1 1 A 60 60 HIS C C 60 173.585 173.631 -0.046 2
1 616 . 1 1 A 60 60 HIS CA C 60 55.364 54.840 0.524 2
1 617 . 1 1 A 60 60 HIS CB C 60 33.699 33.326 0.373 2
1 618 . 1 1 A 60 60 HIS N N 60 125.266 120.539 4.727 2
1 619 . 1 1 A 61 61 THR H H 61 8.712 8.706 0.006 2
1 620 . 1 1 A 61 61 THR HA H 61 5.333 4.725 0.608 2
1 625 . 1 1 A 61 61 THR C C 61 175.155 174.003 1.152 2
1 626 . 1 1 A 61 61 THR CA C 61 62.600 62.090 0.510 2
1 627 . 1 1 A 61 61 THR CB C 61 69.914 69.914 -0.000 2
1 628 . 1 1 A 61 61 THR N N 61 120.973 117.776 3.197 2
1 629 . 1 1 A 62 62 VAL H H 62 9.313 8.837 0.476 2
1 630 . 1 1 A 62 62 VAL HA H 62 4.910 4.843 0.067 2
1 638 . 1 1 A 62 62 VAL C C 62 173.545 174.604 -1.059 2
1 639 . 1 1 A 62 62 VAL CA C 62 58.734 59.188 -0.454 2
1 640 . 1 1 A 62 62 VAL CB C 62 36.638 35.394 1.244 2
1 643 . 1 1 A 62 62 VAL N N 62 120.591 120.911 -0.320 2
1 644 . 1 1 A 63 63 LYS H H 63 7.815 8.514 -0.699 2
1 645 . 1 1 A 63 63 LYS HA H 63 4.552 4.532 0.020 2
1 650 . 1 1 A 63 63 LYS C C 63 175.805 176.080 -0.275 2
1 651 . 1 1 A 63 63 LYS CA C 63 54.680 55.876 -1.196 2
1 652 . 1 1 A 63 63 LYS CB C 63 32.896 33.365 -0.469 2
1 656 . 1 1 A 63 63 LYS N N 63 118.768 123.344 -4.576 2
1 657 . 1 1 A 64 64 ILE H H 64 8.349 8.565 -0.216 2
1 658 . 1 1 A 64 64 ILE HA H 64 3.870 4.354 -0.484 2
1 668 . 1 1 A 64 64 ILE C C 64 175.894 175.253 0.641 2
1 669 . 1 1 A 64 64 ILE CA C 64 61.324 60.850 0.474 2
1 670 . 1 1 A 64 64 ILE CB C 64 39.638 38.079 1.559 2
1 674 . 1 1 A 64 64 ILE N N 64 121.703 122.951 -1.248 2
1 675 . 1 1 A 65 65 TYR H H 65 8.491 8.668 -0.177 2
1 676 . 1 1 A 65 65 TYR CA C 65 57.180 58.205 -1.025 2
1 677 . 1 1 A 65 65 TYR CB C 65 37.490 38.542 -1.052 2
1 678 . 1 1 A 65 65 TYR N N 65 125.077 126.831 -1.754 2
1 680 . 1 1 A 66 66 TRP C C 66 175.586 175.123 0.463 2
1 681 . 1 1 A 66 66 TRP CB C 66 33.607 29.743 3.864 2
1 683 . 1 1 A 67 67 GLN H H 67 9.048 8.612 0.436 2
1 684 . 1 1 A 67 67 GLN HA H 67 4.751 4.716 0.035 2
1 687 . 1 1 A 67 67 GLN C C 67 174.057 174.204 -0.147 2
1 688 . 1 1 A 67 67 GLN CA C 67 56.338 54.981 1.357 2
1 689 . 1 1 A 67 67 GLN CB C 67 32.401 32.104 0.297 2
1 690 . 1 1 A 67 67 GLN N N 67 119.746 122.819 -3.073 2
1 691 . 1 1 A 68 68 LEU H H 68 8.898 8.703 0.195 2
1 692 . 1 1 A 68 68 LEU HA H 68 5.160 4.984 0.176 2
1 702 . 1 1 A 68 68 LEU CA C 68 51.902 51.048 0.854 2
1 703 . 1 1 A 68 68 LEU CB C 68 45.191 44.572 0.619 2
1 707 . 1 1 A 68 68 LEU N N 68 126.170 122.659 3.511 2
1 708 . 1 1 A 69 69 PRO HA H 69 4.511 4.578 -0.067 2
1 715 . 1 1 A 69 69 PRO C C 69 175.054 176.197 -1.143 2
1 716 . 1 1 A 69 69 PRO CA C 69 62.538 63.749 -1.211 2
1 717 . 1 1 A 69 69 PRO CB C 69 32.297 32.607 -0.310 2
1 720 . 1 1 A 70 70 ALA H H 70 8.307 7.849 0.458 2
1 721 . 1 1 A 70 70 ALA HA H 70 4.180 4.417 -0.237 2
1 725 . 1 1 A 70 70 ALA C C 70 178.404 178.086 0.318 2
1 726 . 1 1 A 70 70 ALA CA C 70 53.532 52.122 1.410 2
1 727 . 1 1 A 70 70 ALA CB C 70 18.613 20.405 -1.792 2
1 728 . 1 1 A 70 70 ALA N N 70 123.217 123.920 -0.703 2
1 729 . 1 1 A 71 71 GLY H H 71 8.667 8.446 0.221 2
1 730 . 1 1 A 71 71 GLY HA2 H 71 4.230 4.158 0.072 2
1 731 . 1 1 A 71 71 GLY HA3 H 71 3.650 4.169 -0.519 2
1 732 . 1 1 A 71 71 GLY C C 71 173.707 174.149 -0.442 2
1 733 . 1 1 A 71 71 GLY CA C 71 45.049 45.972 -0.923 2
1 734 . 1 1 A 71 71 GLY N N 71 108.062 108.297 -0.236 2
1 735 . 1 1 A 72 72 ILE H H 72 7.448 7.774 -0.326 2
1 736 . 1 1 A 72 72 ILE HA H 72 4.569 4.406 0.163 2
1 745 . 1 1 A 72 72 ILE C C 72 174.450 174.882 -0.432 2
1 746 . 1 1 A 72 72 ILE CA C 72 60.281 60.334 -0.053 2
1 747 . 1 1 A 72 72 ILE CB C 72 37.826 39.938 -2.112 2
1 751 . 1 1 A 72 72 ILE N N 72 118.695 119.438 -0.743 2
1 752 . 1 1 A 73 73 GLU H H 73 8.767 8.676 0.091 2
1 755 . 1 1 A 73 73 GLU C C 73 175.210 175.748 -0.538 2
1 756 . 1 1 A 73 73 GLU CA C 73 54.306 54.747 -0.441 2
1 757 . 1 1 A 73 73 GLU CB C 73 32.927 32.450 0.477 2
1 758 . 1 1 A 73 73 GLU N N 73 126.361 122.405 3.956 2
1 759 . 1 1 A 74 74 MET H H 74 8.618 8.933 -0.315 2
1 760 . 1 1 A 74 74 MET HA H 74 4.307 4.549 -0.242 2
1 764 . 1 1 A 74 74 MET C C 74 175.176 175.926 -0.750 2
1 765 . 1 1 A 74 74 MET CA C 74 53.791 54.538 -0.747 2
1 766 . 1 1 A 74 74 MET CB C 74 31.127 32.006 -0.879 2
1 768 . 1 1 A 74 74 MET N N 74 124.594 124.439 0.155 2
1 769 . 1 1 A 75 75 VAL H H 75 8.679 8.738 -0.059 2
1 770 . 1 1 A 75 75 VAL HA H 75 3.922 3.962 -0.039 2
1 778 . 1 1 A 75 75 VAL C C 75 176.056 175.977 0.079 2
1 779 . 1 1 A 75 75 VAL CA C 75 64.246 63.844 0.402 2
1 780 . 1 1 A 75 75 VAL CB C 75 32.577 32.478 0.099 2
1 783 . 1 1 A 75 75 VAL N N 75 128.728 126.319 2.409 2
1 784 . 1 1 A 76 76 SER H H 76 7.610 7.745 -0.135 2
1 785 . 1 1 A 76 76 SER HA H 76 4.641 4.823 -0.182 2
1 787 . 1 1 A 76 76 SER C C 76 171.007 172.008 -1.001 2
1 788 . 1 1 A 76 76 SER CA C 76 57.618 57.253 0.365 2
1 789 . 1 1 A 76 76 SER CB C 76 65.001 66.356 -1.355 2
1 790 . 1 1 A 76 76 SER N N 76 112.117 112.637 -0.520 2
1 791 . 1 1 A 77 77 ILE H H 77 8.019 8.857 -0.838 2
1 792 . 1 1 A 77 77 ILE HA H 77 4.790 4.683 0.107 2
1 802 . 1 1 A 77 77 ILE CA C 77 57.476 57.649 -0.173 2
1 803 . 1 1 A 77 77 ILE CB C 77 41.550 40.478 1.071 2
1 806 . 1 1 A 77 77 ILE N N 77 124.876 122.988 1.888 2
1 807 . 1 1 A 78 78 PRO HA H 78 4.662 4.758 -0.096 2
1 814 . 1 1 A 78 78 PRO C C 78 176.687 175.609 1.078 2
1 815 . 1 1 A 78 78 PRO CA C 78 62.854 62.191 0.663 2
1 816 . 1 1 A 78 78 PRO CB C 78 36.960 32.722 4.238 2
1 819 . 1 1 A 79 79 ASP H H 79 7.912 8.527 -0.615 2
1 820 . 1 1 A 79 79 ASP HA H 79 4.980 5.451 -0.471 2
1 823 . 1 1 A 79 79 ASP C C 79 175.812 174.368 1.444 2
1 824 . 1 1 A 79 79 ASP CA C 79 54.046 52.296 1.750 2
1 825 . 1 1 A 79 79 ASP CB C 79 41.269 45.177 -3.908 2
1 826 . 1 1 A 79 79 ASP N N 79 118.235 118.492 -0.257 2
1 827 . 1 1 A 80 80 VAL H H 80 8.641 8.409 0.232 2
1 828 . 1 1 A 80 80 VAL HA H 80 4.623 4.824 -0.201 2
1 836 . 1 1 A 80 80 VAL C C 80 172.960 173.270 -0.310 2
1 837 . 1 1 A 80 80 VAL CA C 80 60.561 59.913 0.648 2
1 838 . 1 1 A 80 80 VAL CB C 80 36.112 35.746 0.366 2
1 841 . 1 1 A 80 80 VAL N N 80 116.881 119.689 -2.808 2
1 842 . 1 1 A 81 81 THR H H 81 8.304 8.477 -0.173 2
1 843 . 1 1 A 81 81 THR HA H 81 5.822 5.210 0.612 2
1 848 . 1 1 A 81 81 THR C C 81 173.431 172.903 0.528 2
1 849 . 1 1 A 81 81 THR CA C 81 61.014 60.802 0.212 2
1 850 . 1 1 A 81 81 THR CB C 81 70.663 71.863 -1.200 2
1 852 . 1 1 A 81 81 THR N N 81 123.670 121.694 1.976 2
1 853 . 1 1 A 82 82 TYR H H 82 9.293 8.662 0.631 2
1 854 . 1 1 A 82 82 TYR HA H 82 5.040 5.053 -0.013 2
1 857 . 1 1 A 82 82 TYR C C 82 172.210 173.145 -0.935 2
1 858 . 1 1 A 82 82 TYR CA C 82 55.640 56.423 -0.783 2
1 859 . 1 1 A 82 82 TYR CB C 82 41.461 41.370 0.091 2
1 860 . 1 1 A 82 82 TYR N N 82 124.984 122.701 2.283 2
1 861 . 1 1 A 83 83 THR H H 83 8.774 8.677 0.097 2
1 862 . 1 1 A 83 83 THR HA H 83 5.150 5.258 -0.108 2
1 864 . 1 1 A 83 83 THR C C 83 173.942 173.826 0.117 2
1 865 . 1 1 A 83 83 THR CA C 83 61.324 61.311 0.013 2
1 866 . 1 1 A 83 83 THR CB C 83 71.117 71.127 -0.010 2
1 867 . 1 1 A 83 83 THR N N 83 115.669 115.275 0.394 2
1 868 . 1 1 A 84 84 LEU H H 84 8.859 8.818 0.041 2
1 869 . 1 1 A 84 84 LEU HA H 84 5.400 5.202 0.198 2
1 879 . 1 1 A 84 84 LEU C C 84 176.575 176.195 0.380 2
1 880 . 1 1 A 84 84 LEU CA C 84 52.755 53.370 -0.615 2
1 881 . 1 1 A 84 84 LEU CB C 84 44.443 44.785 -0.342 2
1 885 . 1 1 A 84 84 LEU N N 84 125.146 125.711 -0.565 2
1 886 . 1 1 A 85 85 LYS H H 85 9.505 8.707 0.798 2
1 887 . 1 1 A 85 85 LYS HA H 85 4.793 4.987 -0.194 2
1 893 . 1 1 A 85 85 LYS C C 85 173.593 175.317 -1.724 2
1 894 . 1 1 A 85 85 LYS CA C 85 54.002 54.503 -0.501 2
1 895 . 1 1 A 85 85 LYS CB C 85 36.173 35.438 0.735 2
1 899 . 1 1 A 85 85 LYS N N 85 122.212 121.599 0.613 2
1 900 . 1 1 A 86 86 ALA H H 86 8.714 8.590 0.124 2
1 901 . 1 1 A 86 86 ALA HA H 86 4.489 4.285 0.204 2
1 905 . 1 1 A 86 86 ALA C C 86 178.091 177.195 0.896 2
1 906 . 1 1 A 86 86 ALA CA C 86 52.548 52.524 0.024 2
1 907 . 1 1 A 86 86 ALA CB C 86 18.787 19.236 -0.449 2
1 908 . 1 1 A 86 86 ALA N N 86 123.336 125.217 -1.881 2
1 909 . 1 1 A 87 87 LYS H H 87 8.242 8.441 -0.199 2
1 910 . 1 1 A 87 87 LYS HA H 87 3.963 4.276 -0.312 2
1 917 . 1 1 A 87 87 LYS C C 87 176.384 176.242 0.142 2
1 918 . 1 1 A 87 87 LYS CA C 87 57.672 57.069 0.603 2
1 919 . 1 1 A 87 87 LYS CB C 87 33.298 33.036 0.262 2
1 922 . 1 1 A 87 87 LYS N N 87 122.855 122.067 0.788 2
1 923 . 1 1 A 88 88 GLU H H 88 8.485 8.696 -0.211 2
1 924 . 1 1 A 88 88 GLU HA H 88 4.305 4.536 -0.231 2
1 926 . 1 1 A 88 88 GLU C C 88 175.437 175.584 -0.147 2
1 927 . 1 1 A 88 88 GLU CA C 88 55.863 56.651 -0.788 2
1 928 . 1 1 A 88 88 GLU CB C 88 30.831 30.563 0.268 2
1 929 . 1 1 A 88 88 GLU N N 88 122.851 124.524 -1.673 2
1 930 . 1 1 A 89 89 ASP H H 89 8.522 7.880 0.641 2
1 931 . 1 1 A 89 89 ASP HA H 89 4.840 4.765 0.075 2
1 934 . 1 1 A 89 89 ASP CA C 89 52.036 52.660 -0.624 2
1 935 . 1 1 A 89 89 ASP CB C 89 41.551 40.327 1.224 2
1 936 . 1 1 A 89 89 ASP N N 89 123.882 121.644 2.239 2
1 937 . 1 1 A 90 90 PRO HA H 90 4.387 4.422 -0.035 2
1 942 . 1 1 A 90 90 PRO C C 90 177.292 177.634 -0.342 2
1 943 . 1 1 A 90 90 PRO CA C 90 63.694 64.615 -0.921 2
1 944 . 1 1 A 90 90 PRO CB C 90 32.270 32.048 0.222 2
1 947 . 1 1 A 91 91 LEU H H 91 8.340 8.024 0.316 2
1 948 . 1 1 A 91 91 LEU HA H 91 4.230 4.199 0.031 2
1 958 . 1 1 A 91 91 LEU C C 91 177.668 176.496 1.172 2
1 959 . 1 1 A 91 91 LEU CA C 91 55.381 56.178 -0.797 2
1 960 . 1 1 A 91 91 LEU CB C 91 41.733 41.945 -0.212 2
1 964 . 1 1 A 91 91 LEU N N 91 120.251 116.543 3.708 2
1 965 . 1 1 A 92 92 GLU H H 92 7.977 7.926 0.051 2
1 966 . 1 1 A 92 92 GLU C C 92 176.310 175.710 0.600 2
1 967 . 1 1 A 92 92 GLU CA C 92 56.745 56.814 -0.069 2
1 968 . 1 1 A 92 92 GLU CB C 92 30.187 30.588 -0.401 2
1 969 . 1 1 A 92 92 GLU N N 92 120.217 117.249 2.968 2
1 970 . 1 1 A 93 93 HIS H H 93 8.242 8.354 -0.112 2
1 972 . 1 1 A 93 93 HIS C C 93 173.935 174.552 -0.617 2
1 973 . 1 1 A 93 93 HIS CA C 93 55.918 56.458 -0.540 2
1 974 . 1 1 A 93 93 HIS CB C 93 29.960 30.128 -0.168 2
1 975 . 1 1 A 93 93 HIS N N 93 119.107 122.356 -3.249 2
1 976 . 1 1 A 94 94 HIS H H 94 8.164 7.994 0.170 2
1 977 . 1 1 A 94 94 HIS CA C 94 57.235 56.216 1.019 2
1 978 . 1 1 A 94 94 HIS CB C 94 30.225 30.555 -0.330 2
stop_
save_