data_6926_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 6926
_Entry.PDB_ID 2FFT
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 6 . 1 1 1 A 2 2 ALA H H 2 8.448 7.446 1.002 1
1 7 . 1 1 1 A 2 2 ALA HA H 2 4.314 4.775 -0.461 1
1 11 . 1 1 1 A 2 2 ALA C C 2 177.731 175.349 2.382 1
1 12 . 1 1 1 A 2 2 ALA CA C 2 53.711 51.559 2.152 1
1 13 . 1 1 1 A 2 2 ALA CB C 2 19.629 22.938 -3.309 1
1 14 . 1 1 1 A 2 2 ALA N N 2 125.995 119.996 5.999 1
1 15 . 1 1 1 A 3 3 ALA H H 3 8.148 8.487 -0.339 1
1 16 . 1 1 1 A 3 3 ALA HA H 3 4.292 4.564 -0.272 1
1 20 . 1 1 1 A 3 3 ALA C C 3 177.888 176.853 1.035 1
1 21 . 1 1 1 A 3 3 ALA CA C 3 53.439 52.181 1.258 1
1 22 . 1 1 1 A 3 3 ALA CB C 3 19.671 21.475 -1.804 1
1 23 . 1 1 1 A 3 3 ALA N N 3 121.767 120.295 1.472 1
1 24 . 1 1 1 A 4 4 LYS H H 4 8.047 8.980 -0.933 1
1 25 . 1 1 1 A 4 4 LYS HA H 4 4.314 4.157 0.157 1
1 27 . 1 1 1 A 4 4 LYS C C 4 177.363 175.335 2.028 1
1 28 . 1 1 1 A 4 4 LYS CA C 4 57.279 58.141 -0.862 1
1 29 . 1 1 1 A 4 4 LYS CB C 4 33.570 31.746 1.824 1
1 33 . 1 1 1 A 4 4 LYS N N 4 119.233 121.881 -2.648 1
1 34 . 1 1 1 A 5 5 GLY H H 5 8.317 8.338 -0.021 1
1 35 . 1 1 1 A 5 5 GLY HA2 H 5 4.039 4.202 -0.163 1
1 36 . 1 1 1 A 5 5 GLY C C 5 174.706 172.139 2.567 1
1 37 . 1 1 1 A 5 5 GLY CA C 5 46.246 45.341 0.905 1
1 38 . 1 1 1 A 5 5 GLY N N 5 109.070 109.800 -0.730 1
1 39 . 1 1 1 A 6 6 THR H H 6 8.002 8.444 -0.442 1
1 40 . 1 1 1 A 6 6 THR HA H 6 4.357 4.566 -0.209 1
1 42 . 1 1 1 A 6 6 THR C C 6 174.839 174.414 0.425 1
1 43 . 1 1 1 A 6 6 THR CA C 6 62.444 61.622 0.822 1
1 44 . 1 1 1 A 6 6 THR CB C 6 70.490 67.600 2.890 1
1 46 . 1 1 1 A 6 6 THR N N 6 112.809 116.939 -4.130 1
1 47 . 1 1 1 A 7 7 ALA H H 7 8.309 8.612 -0.303 1
1 48 . 1 1 1 A 7 7 ALA HA H 7 4.322 4.339 -0.017 1
1 52 . 1 1 1 A 7 7 ALA C C 7 178.032 177.591 0.441 1
1 53 . 1 1 1 A 7 7 ALA CA C 7 53.792 54.717 -0.925 1
1 54 . 1 1 1 A 7 7 ALA CB C 7 19.733 19.429 0.304 1
1 55 . 1 1 1 A 7 7 ALA N N 7 125.292 129.237 -3.945 1
1 56 . 1 1 1 A 8 8 GLU H H 8 8.358 7.941 0.417 1
1 57 . 1 1 1 A 8 8 GLU HA H 8 4.297 4.632 -0.335 1
1 59 . 1 1 1 A 8 8 GLU C C 8 176.936 175.960 0.976 1
1 60 . 1 1 1 A 8 8 GLU CA C 8 57.618 56.264 1.354 1
1 61 . 1 1 1 A 8 8 GLU CB C 8 30.792 30.184 0.608 1
1 63 . 1 1 1 A 8 8 GLU N N 8 118.943 116.794 2.149 1
1 64 . 1 1 1 A 9 9 THR H H 9 7.974 8.623 -0.649 1
1 65 . 1 1 1 A 9 9 THR HA H 9 4.365 4.860 -0.495 1
1 67 . 1 1 1 A 9 9 THR C C 9 174.629 172.353 2.276 1
1 68 . 1 1 1 A 9 9 THR CA C 9 62.617 61.645 0.972 1
1 69 . 1 1 1 A 9 9 THR CB C 9 70.422 71.543 -1.121 1
1 71 . 1 1 1 A 9 9 THR N N 9 113.540 117.277 -3.737 1
1 72 . 1 1 1 A 10 10 LYS H H 10 8.242 8.611 -0.369 1
1 73 . 1 1 1 A 10 10 LYS HA H 10 4.314 4.586 -0.272 1
1 75 . 1 1 1 A 10 10 LYS C C 10 176.513 174.426 2.087 1
1 76 . 1 1 1 A 10 10 LYS CA C 10 57.173 56.212 0.961 1
1 77 . 1 1 1 A 10 10 LYS CB C 10 33.511 35.119 -1.608 1
1 81 . 1 1 1 A 10 10 LYS N N 10 123.339 128.061 -4.722 1
1 82 . 1 1 1 A 11 11 GLN H H 11 8.381 9.131 -0.750 1
1 83 . 1 1 1 A 11 11 GLN HA H 11 4.322 4.916 -0.594 1
1 89 . 1 1 1 A 11 11 GLN C C 11 176.073 175.078 0.995 1
1 90 . 1 1 1 A 11 11 GLN CA C 11 56.689 54.293 2.396 1
1 91 . 1 1 1 A 11 11 GLN CB C 11 29.940 30.248 -0.308 1
1 93 . 1 1 1 A 11 11 GLN N N 11 120.885 125.781 -4.896 1
1 95 . 1 1 1 A 12 12 GLU H H 12 8.407 9.165 -0.758 1
1 96 . 1 1 1 A 12 12 GLU HA H 12 4.304 4.788 -0.484 1
1 98 . 1 1 1 A 12 12 GLU C C 12 176.253 175.472 0.781 1
1 99 . 1 1 1 A 12 12 GLU CA C 12 57.536 55.149 2.387 1
1 100 . 1 1 1 A 12 12 GLU CB C 12 30.799 30.349 0.450 1
1 102 . 1 1 1 A 12 12 GLU N N 12 121.152 124.544 -3.392 1
1 103 . 1 1 1 A 13 13 LYS H H 13 8.220 8.672 -0.452 1
1 104 . 1 1 1 A 13 13 LYS HA H 13 4.542 4.677 -0.135 1
1 108 . 1 1 1 A 13 13 LYS C C 13 175.856 175.042 0.814 1
1 109 . 1 1 1 A 13 13 LYS CA C 13 56.335 55.305 1.030 1
1 110 . 1 1 1 A 13 13 LYS CB C 13 33.863 32.693 1.170 1
1 114 . 1 1 1 A 13 13 LYS N N 13 121.312 124.688 -3.376 1
1 115 . 1 1 1 A 14 14 SER H H 14 8.447 7.641 0.806 1
1 116 . 1 1 1 A 14 14 SER HA H 14 4.639 5.089 -0.450 1
1 119 . 1 1 1 A 14 14 SER C C 14 175.529 174.922 0.607 1
1 120 . 1 1 1 A 14 14 SER CA C 14 58.802 57.461 1.341 1
1 121 . 1 1 1 A 14 14 SER CB C 14 64.803 67.223 -2.420 1
1 122 . 1 1 1 A 14 14 SER N N 14 116.487 116.355 0.132 1
1 123 . 1 1 1 A 15 15 PHE H H 15 8.802 9.143 -0.341 1
1 124 . 1 1 1 A 15 15 PHE HA H 15 4.448 4.246 0.202 1
1 129 . 1 1 1 A 15 15 PHE C C 15 176.935 177.552 -0.617 1
1 130 . 1 1 1 A 15 15 PHE CA C 15 62.188 60.328 1.860 1
1 131 . 1 1 1 A 15 15 PHE CB C 15 39.721 38.035 1.686 1
1 132 . 1 1 1 A 15 15 PHE N N 15 124.339 122.011 2.328 1
1 133 . 1 1 1 A 16 16 VAL H H 16 8.025 7.541 0.484 1
1 134 . 1 1 1 A 16 16 VAL HA H 16 3.490 3.326 0.164 1
1 142 . 1 1 1 A 16 16 VAL C C 16 177.123 177.285 -0.162 1
1 143 . 1 1 1 A 16 16 VAL CA C 16 67.959 64.528 3.431 1
1 144 . 1 1 1 A 16 16 VAL CB C 16 32.250 30.715 1.535 1
1 147 . 1 1 1 A 16 16 VAL N N 16 118.329 120.952 -2.623 1
1 148 . 1 1 1 A 17 17 ASP H H 17 7.926 7.895 0.031 1
1 149 . 1 1 1 A 17 17 ASP HA H 17 4.354 4.309 0.045 1
1 152 . 1 1 1 A 17 17 ASP C C 17 179.625 178.193 1.432 1
1 153 . 1 1 1 A 17 17 ASP CA C 17 58.204 57.166 1.038 1
1 154 . 1 1 1 A 17 17 ASP CB C 17 41.324 41.369 -0.045 1
1 155 . 1 1 1 A 17 17 ASP N N 17 118.753 121.099 -2.346 1
1 156 . 1 1 1 A 18 18 TRP H H 18 8.174 7.785 0.389 1
1 157 . 1 1 1 A 18 18 TRP HA H 18 4.111 4.362 -0.251 1
1 163 . 1 1 1 A 18 18 TRP CA C 18 62.194 60.759 1.435 1
1 164 . 1 1 1 A 18 18 TRP CB C 18 29.150 29.614 -0.464 1
1 165 . 1 1 1 A 18 18 TRP N N 18 122.311 121.496 0.815 1
1 167 . 1 1 1 A 19 19 LEU H H 19 8.517 8.883 -0.366 1
1 168 . 1 1 1 A 19 19 LEU HA H 19 3.447 4.130 -0.683 1
1 178 . 1 1 1 A 19 19 LEU C C 19 179.115 179.074 0.041 1
1 179 . 1 1 1 A 19 19 LEU CA C 19 58.630 58.554 0.076 1
1 180 . 1 1 1 A 19 19 LEU CB C 19 42.676 42.227 0.449 1
1 184 . 1 1 1 A 19 19 LEU N N 19 120.943 121.381 -0.438 1
1 185 . 1 1 1 A 20 20 LEU H H 20 8.713 8.581 0.132 1
1 186 . 1 1 1 A 20 20 LEU HA H 20 3.972 4.011 -0.039 1
1 196 . 1 1 1 A 20 20 LEU C C 20 180.266 178.812 1.454 1
1 197 . 1 1 1 A 20 20 LEU CA C 20 58.318 57.732 0.586 1
1 198 . 1 1 1 A 20 20 LEU CB C 20 41.655 41.636 0.019 1
1 202 . 1 1 1 A 20 20 LEU N N 20 117.598 119.204 -1.606 1
1 203 . 1 1 1 A 21 21 GLY H H 21 7.783 8.290 -0.507 1
1 204 . 1 1 1 A 21 21 GLY HA2 H 21 3.829 3.623 0.206 1
1 205 . 1 1 1 A 21 21 GLY C C 21 175.390 175.437 -0.047 1
1 206 . 1 1 1 A 21 21 GLY CA C 21 46.978 46.656 0.322 1
1 207 . 1 1 1 A 21 21 GLY N N 21 106.102 107.092 -0.990 1
1 208 . 1 1 1 A 22 22 LYS H H 22 7.443 7.967 -0.524 1
1 209 . 1 1 1 A 22 22 LYS HA H 22 4.090 4.082 0.008 1
1 217 . 1 1 1 A 22 22 LYS C C 22 177.806 178.530 -0.724 1
1 218 . 1 1 1 A 22 22 LYS CA C 22 56.974 59.108 -2.134 1
1 219 . 1 1 1 A 22 22 LYS CB C 22 32.718 32.267 0.451 1
1 223 . 1 1 1 A 22 22 LYS N N 22 118.883 121.410 -2.527 1
1 224 . 1 1 1 A 23 23 ILE H H 23 7.550 7.565 -0.015 1
1 225 . 1 1 1 A 23 23 ILE HA H 23 4.165 4.025 0.140 1
1 235 . 1 1 1 A 23 23 ILE C C 23 175.996 176.583 -0.587 1
1 236 . 1 1 1 A 23 23 ILE CA C 23 62.916 62.759 0.157 1
1 237 . 1 1 1 A 23 23 ILE CB C 23 39.444 38.304 1.140 1
1 241 . 1 1 1 A 23 23 ILE N N 23 114.457 118.882 -4.425 1
1 242 . 1 1 1 A 24 24 THR H H 24 7.778 7.539 0.239 1
1 243 . 1 1 1 A 24 24 THR HA H 24 4.379 4.524 -0.145 1
1 248 . 1 1 1 A 24 24 THR C C 24 174.616 174.283 0.333 1
1 249 . 1 1 1 A 24 24 THR CA C 24 62.699 61.318 1.381 1
1 250 . 1 1 1 A 24 24 THR CB C 24 70.567 68.867 1.700 1
1 252 . 1 1 1 A 24 24 THR N N 24 113.224 114.748 -1.524 1
1 253 . 1 1 1 A 25 25 LYS H H 25 7.956 8.180 -0.224 1
1 259 . 1 1 1 A 25 25 LYS CA C 25 56.696 58.449 -1.753 1
1 260 . 1 1 1 A 25 25 LYS CB C 25 33.428 31.477 1.951 1
1 262 . 1 1 1 A 25 25 LYS N N 25 122.468 118.296 4.172 1
1 263 . 1 1 1 A 26 26 GLU H H 26 8.392 8.417 -0.025 1
1 264 . 1 1 1 A 26 26 GLU HA H 26 4.230 3.889 0.341 1
1 268 . 1 1 1 A 26 26 GLU C C 26 176.320 175.171 1.149 1
1 269 . 1 1 1 A 26 26 GLU CA C 26 57.616 57.798 -0.182 1
1 270 . 1 1 1 A 26 26 GLU CB C 26 30.854 28.890 1.964 1
1 272 . 1 1 1 A 26 26 GLU N N 26 121.068 119.403 1.665 1
1 273 . 1 1 1 A 27 27 ASP H H 27 8.299 7.983 0.316 1
1 274 . 1 1 1 A 27 27 ASP HA H 27 4.496 4.580 -0.084 1
1 276 . 1 1 1 A 27 27 ASP C C 27 175.931 175.659 0.272 1
1 277 . 1 1 1 A 27 27 ASP CA C 27 55.161 54.087 1.074 1
1 278 . 1 1 1 A 27 27 ASP CB C 27 41.532 42.449 -0.917 1
1 279 . 1 1 1 A 27 27 ASP N N 27 119.412 119.529 -0.117 1
1 280 . 1 1 1 A 28 28 GLN H H 28 8.108 9.043 -0.935 1
1 281 . 1 1 1 A 28 28 GLN HA H 28 4.215 4.481 -0.266 1
1 286 . 1 1 1 A 28 28 GLN C C 28 175.845 177.192 -1.347 1
1 287 . 1 1 1 A 28 28 GLN CA C 28 56.559 57.051 -0.492 1
1 288 . 1 1 1 A 28 28 GLN CB C 28 30.105 29.668 0.437 1
1 290 . 1 1 1 A 28 28 GLN N N 28 119.037 120.303 -1.266 1
1 292 . 1 1 1 A 29 29 PHE H H 29 8.235 7.199 1.036 1
1 293 . 1 1 1 A 29 29 PHE HA H 29 4.514 4.728 -0.214 1
1 299 . 1 1 1 A 29 29 PHE C C 29 175.361 174.920 0.441 1
1 300 . 1 1 1 A 29 29 PHE CA C 29 58.810 56.677 2.133 1
1 301 . 1 1 1 A 29 29 PHE CB C 29 40.000 39.695 0.305 1
1 302 . 1 1 1 A 29 29 PHE N N 29 120.622 113.523 7.099 1
1 303 . 1 1 1 A 30 30 TYR H H 30 7.715 7.598 0.117 1
1 304 . 1 1 1 A 30 30 TYR HA H 30 4.508 4.704 -0.196 1
1 310 . 1 1 1 A 30 30 TYR C C 30 175.416 175.919 -0.503 1
1 311 . 1 1 1 A 30 30 TYR CA C 30 58.544 58.232 0.312 1
1 312 . 1 1 1 A 30 30 TYR CB C 30 39.613 38.490 1.123 1
1 313 . 1 1 1 A 30 30 TYR N N 30 119.864 121.171 -1.307 1
1 314 . 1 1 1 A 31 31 GLU H H 31 8.187 8.688 -0.501 1
1 315 . 1 1 1 A 31 31 GLU HA H 31 4.293 4.478 -0.185 1
1 319 . 1 1 1 A 31 31 GLU C C 31 176.148 178.499 -2.351 1
1 320 . 1 1 1 A 31 31 GLU CA C 31 57.172 57.500 -0.328 1
1 321 . 1 1 1 A 31 31 GLU CB C 31 30.845 30.943 -0.098 1
1 323 . 1 1 1 A 31 31 GLU N N 31 121.546 123.349 -1.803 1
1 324 . 1 1 1 A 32 32 THR H H 32 7.864 7.983 -0.119 1
1 325 . 1 1 1 A 32 32 THR HA H 32 4.359 4.082 0.277 1
1 330 . 1 1 1 A 32 32 THR C C 32 173.970 174.004 -0.034 1
1 331 . 1 1 1 A 32 32 THR CA C 32 62.043 65.219 -3.176 1
1 332 . 1 1 1 A 32 32 THR CB C 32 70.721 69.490 1.231 1
1 334 . 1 1 1 A 32 32 THR N N 32 113.695 115.733 -2.038 1
1 335 . 1 1 1 A 33 33 ASP H H 33 8.317 8.186 0.131 1
1 336 . 1 1 1 A 33 33 ASP HA H 33 4.880 4.307 0.573 1
1 339 . 1 1 1 A 33 33 ASP CA C 33 53.661 54.913 -1.252 1
1 340 . 1 1 1 A 33 33 ASP CB C 33 41.474 39.259 2.215 1
1 341 . 1 1 1 A 33 33 ASP N N 33 123.601 121.123 2.478 1
1 342 . 1 1 1 A 34 34 PRO HA H 34 4.408 4.613 -0.205 1
1 348 . 1 1 1 A 34 34 PRO C C 34 174.420 176.957 -2.537 1
1 349 . 1 1 1 A 34 34 PRO CA C 34 64.164 62.208 1.956 1
1 350 . 1 1 1 A 34 34 PRO CB C 34 32.774 29.205 3.569 1
1 353 . 1 1 1 A 35 35 ILE H H 35 8.143 8.387 -0.244 1
1 354 . 1 1 1 A 35 35 ILE HA H 35 4.046 4.291 -0.245 1
1 364 . 1 1 1 A 35 35 ILE C C 35 176.474 176.503 -0.029 1
1 365 . 1 1 1 A 35 35 ILE CA C 35 62.937 61.701 1.236 1
1 366 . 1 1 1 A 35 35 ILE CB C 35 39.275 38.897 0.378 1
1 370 . 1 1 1 A 35 35 ILE N N 35 120.322 121.236 -0.914 1
1 371 . 1 1 1 A 36 36 LEU H H 36 7.975 8.061 -0.086 1
1 372 . 1 1 1 A 36 36 LEU HA H 36 4.398 4.570 -0.172 1
1 381 . 1 1 1 A 36 36 LEU C C 36 177.299 177.582 -0.283 1
1 382 . 1 1 1 A 36 36 LEU CA C 36 56.022 56.133 -0.111 1
1 383 . 1 1 1 A 36 36 LEU CB C 36 42.837 44.405 -1.568 1
1 387 . 1 1 1 A 36 36 LEU N N 36 121.023 121.648 -0.625 1
1 388 . 1 1 1 A 37 37 ARG H H 37 7.932 8.184 -0.252 1
1 389 . 1 1 1 A 37 37 ARG HA H 37 4.345 4.533 -0.188 1
1 395 . 1 1 1 A 37 37 ARG C C 37 176.869 176.583 0.286 1
1 396 . 1 1 1 A 37 37 ARG CA C 37 56.912 55.991 0.921 1
1 397 . 1 1 1 A 37 37 ARG CB C 37 31.127 32.592 -1.465 1
1 400 . 1 1 1 A 37 37 ARG N N 37 118.673 116.238 2.435 1
1 402 . 1 1 1 A 38 38 GLY H H 38 8.271 7.632 0.639 1
1 403 . 1 1 1 A 38 38 GLY HA2 H 38 3.986 4.002 -0.016 1
1 404 . 1 1 1 A 38 38 GLY C C 38 174.864 175.617 -0.753 1
1 405 . 1 1 1 A 38 38 GLY CA C 38 46.258 45.391 0.867 1
1 406 . 1 1 1 A 38 38 GLY N N 38 108.377 108.431 -0.054 1
1 407 . 1 1 1 A 39 39 GLY H H 39 8.218 8.307 -0.089 1
1 408 . 1 1 1 A 39 39 GLY HA2 H 39 3.998 3.927 0.071 1
1 409 . 1 1 1 A 39 39 GLY C C 39 174.158 173.705 0.453 1
1 410 . 1 1 1 A 39 39 GLY CA C 39 46.187 46.288 -0.101 1
1 411 . 1 1 1 A 39 39 GLY N N 39 108.485 109.822 -1.337 1
1 412 . 1 1 1 A 40 40 ASP H H 40 8.274 8.098 0.176 1
1 413 . 1 1 1 A 40 40 ASP HA H 40 4.699 4.884 -0.185 1
1 415 . 1 1 1 A 40 40 ASP C C 40 176.791 175.474 1.317 1
1 416 . 1 1 1 A 40 40 ASP CA C 40 55.105 53.818 1.287 1
1 417 . 1 1 1 A 40 40 ASP CB C 40 41.715 42.324 -0.609 1
1 418 . 1 1 1 A 40 40 ASP N N 40 120.261 120.542 -0.281 1
1 419 . 1 1 1 A 41 41 VAL H H 41 8.071 8.730 -0.659 1
1 420 . 1 1 1 A 41 41 VAL HA H 41 3.993 3.925 0.068 1
1 425 . 1 1 1 A 41 41 VAL C C 41 176.869 175.521 1.348 1
1 426 . 1 1 1 A 41 41 VAL CA C 41 64.502 64.541 -0.039 1
1 427 . 1 1 1 A 41 41 VAL CB C 41 32.773 32.917 -0.144 1
1 429 . 1 1 1 A 41 41 VAL N N 41 120.111 125.068 -4.957 1
1 430 . 1 1 1 A 42 42 LYS H H 42 8.213 7.932 0.281 1
1 431 . 1 1 1 A 42 42 LYS HA H 42 4.299 4.178 0.121 1
1 434 . 1 1 1 A 42 42 LYS C C 42 177.041 176.171 0.870 1
1 435 . 1 1 1 A 42 42 LYS CA C 42 57.639 58.421 -0.782 1
1 436 . 1 1 1 A 42 42 LYS CB C 42 33.227 31.206 2.021 1
1 440 . 1 1 1 A 42 42 LYS N N 42 121.557 121.068 0.489 1
1 441 . 1 1 1 A 43 43 SER H H 43 8.126 8.640 -0.514 1
1 442 . 1 1 1 A 43 43 SER HA H 43 4.452 4.634 -0.182 1
1 444 . 1 1 1 A 43 43 SER C C 43 175.085 173.663 1.422 1
1 445 . 1 1 1 A 43 43 SER CA C 43 59.403 59.741 -0.338 1
1 446 . 1 1 1 A 43 43 SER CB C 43 64.208 65.170 -0.962 1
1 447 . 1 1 1 A 43 43 SER N N 43 115.295 116.809 -1.514 1
1 448 . 1 1 1 A 44 44 SER H H 44 8.251 7.950 0.301 1
1 449 . 1 1 1 A 44 44 SER HA H 44 4.479 4.796 -0.317 1
1 451 . 1 1 1 A 44 44 SER C C 44 175.331 173.158 2.173 1
1 452 . 1 1 1 A 44 44 SER CA C 44 59.701 57.553 2.148 1
1 453 . 1 1 1 A 44 44 SER CB C 44 64.453 65.763 -1.310 1
1 454 . 1 1 1 A 44 44 SER N N 44 117.357 110.747 6.610 1
1 455 . 1 1 1 A 45 45 GLY H H 45 8.401 8.470 -0.069 1
1 456 . 1 1 1 A 45 45 GLY HA2 H 45 4.030 4.144 -0.114 1
1 457 . 1 1 1 A 45 45 GLY C C 45 174.472 172.814 1.658 1
1 458 . 1 1 1 A 45 45 GLY CA C 45 46.258 45.820 0.438 1
1 459 . 1 1 1 A 45 45 GLY N N 45 110.523 107.960 2.563 1
1 460 . 1 1 1 A 46 46 SER H H 46 8.177 8.081 0.096 1
1 461 . 1 1 1 A 46 46 SER HA H 46 4.536 4.732 -0.196 1
1 463 . 1 1 1 A 46 46 SER C C 46 175.206 174.457 0.749 1
1 464 . 1 1 1 A 46 46 SER CA C 46 59.244 57.323 1.921 1
1 465 . 1 1 1 A 46 46 SER CB C 46 64.484 63.657 0.827 1
1 466 . 1 1 1 A 46 46 SER N N 46 115.297 115.848 -0.551 1
1 467 . 1 1 1 A 47 47 THR H H 47 8.198 8.007 0.191 1
1 468 . 1 1 1 A 47 47 THR HA H 47 4.432 4.197 0.235 1
1 470 . 1 1 1 A 47 47 THR C C 47 174.939 174.316 0.623 1
1 471 . 1 1 1 A 47 47 THR CA C 47 62.746 64.193 -1.447 1
1 472 . 1 1 1 A 47 47 THR CB C 47 70.246 69.329 0.917 1
1 474 . 1 1 1 A 47 47 THR N N 47 114.635 117.600 -2.965 1
1 475 . 1 1 1 A 48 48 SER H H 48 8.228 7.638 0.590 1
1 476 . 1 1 1 A 48 48 SER HA H 48 4.473 4.583 -0.110 1
1 478 . 1 1 1 A 48 48 SER C C 48 175.241 174.050 1.191 1
1 479 . 1 1 1 A 48 48 SER CA C 48 59.480 57.481 1.999 1
1 480 . 1 1 1 A 48 48 SER CB C 48 64.429 65.434 -1.005 1
1 481 . 1 1 1 A 48 48 SER N N 48 117.146 113.346 3.800 1
1 482 . 1 1 1 A 49 49 GLY H H 49 8.342 8.488 -0.146 1
1 483 . 1 1 1 A 49 49 GLY HA2 H 49 4.048 4.307 -0.259 1
1 484 . 1 1 1 A 49 49 GLY C C 49 174.776 174.115 0.661 1
1 485 . 1 1 1 A 49 49 GLY CA C 49 46.233 45.343 0.890 1
1 486 . 1 1 1 A 49 49 GLY N N 49 110.627 107.072 3.555 1
1 487 . 1 1 1 A 50 50 LYS H H 50 8.124 8.807 -0.683 1
1 488 . 1 1 1 A 50 50 LYS HA H 50 4.302 4.454 -0.152 1
1 490 . 1 1 1 A 50 50 LYS C C 50 176.932 176.291 0.641 1
1 491 . 1 1 1 A 50 50 LYS CA C 50 57.333 56.412 0.921 1
1 492 . 1 1 1 A 50 50 LYS CB C 50 33.497 33.949 -0.452 1
1 496 . 1 1 1 A 50 50 LYS N N 50 120.037 121.574 -1.537 1
1 497 . 1 1 1 A 51 51 LYS H H 51 8.089 8.048 0.041 1
1 498 . 1 1 1 A 51 51 LYS HA H 51 4.325 4.315 0.010 1
1 500 . 1 1 1 A 51 51 LYS C C 51 177.169 175.856 1.313 1
1 501 . 1 1 1 A 51 51 LYS CA C 51 57.251 58.253 -1.002 1
1 502 . 1 1 1 A 51 51 LYS CB C 51 33.293 31.624 1.669 1
1 506 . 1 1 1 A 51 51 LYS N N 51 120.805 117.769 3.036 1
1 507 . 1 1 1 A 52 52 GLY H H 52 8.304 8.868 -0.564 1
1 508 . 1 1 1 A 52 52 GLY HA2 H 52 4.005 4.019 -0.014 1
1 509 . 1 1 1 A 52 52 GLY C C 52 174.545 175.650 -1.105 1
1 510 . 1 1 1 A 52 52 GLY CA C 52 46.250 46.889 -0.639 1
1 511 . 1 1 1 A 52 52 GLY N N 52 109.109 110.592 -1.483 1
1 512 . 1 1 1 A 53 53 GLY H H 53 8.201 8.561 -0.360 1
1 513 . 1 1 1 A 53 53 GLY HA2 H 53 4.051 3.902 0.149 1
1 514 . 1 1 1 A 53 53 GLY C C 53 174.771 173.902 0.869 1
1 515 . 1 1 1 A 53 53 GLY CA C 53 46.204 47.152 -0.948 1
1 516 . 1 1 1 A 53 53 GLY N N 53 108.474 110.176 -1.702 1
1 517 . 1 1 1 A 54 54 THR H H 54 8.115 7.757 0.358 1
1 518 . 1 1 1 A 54 54 THR HA H 54 4.442 4.850 -0.408 1
1 522 . 1 1 1 A 54 54 THR C C 54 175.190 173.758 1.432 1
1 523 . 1 1 1 A 54 54 THR CA C 54 62.904 59.417 3.487 1
1 524 . 1 1 1 A 54 54 THR CB C 54 70.261 71.830 -1.569 1
1 525 . 1 1 1 A 54 54 THR N N 54 113.386 109.176 4.210 1
1 526 . 1 1 1 A 55 55 THR H H 55 8.158 8.824 -0.666 1
1 527 . 1 1 1 A 55 55 THR HA H 55 4.452 4.685 -0.233 1
1 531 . 1 1 1 A 55 55 THR C C 55 175.050 173.221 1.829 1
1 532 . 1 1 1 A 55 55 THR CA C 55 62.740 60.801 1.939 1
1 533 . 1 1 1 A 55 55 THR CB C 55 70.171 69.788 0.383 1
1 535 . 1 1 1 A 55 55 THR N N 55 114.825 118.508 -3.683 1
1 536 . 1 1 1 A 56 56 SER H H 56 8.233 7.730 0.503 1
1 537 . 1 1 1 A 56 56 SER HA H 56 4.484 4.789 -0.305 1
1 539 . 1 1 1 A 56 56 SER C C 56 175.314 172.932 2.382 1
1 540 . 1 1 1 A 56 56 SER CA C 56 59.419 57.418 2.001 1
1 541 . 1 1 1 A 56 56 SER CB C 56 64.576 64.915 -0.339 1
1 542 . 1 1 1 A 56 56 SER N N 56 117.144 118.765 -1.621 1
1 543 . 1 1 1 A 57 57 GLY H H 57 8.340 8.537 -0.197 1
1 544 . 1 1 1 A 57 57 GLY HA2 H 57 4.043 4.023 0.020 1
1 545 . 1 1 1 A 57 57 GLY C C 57 176.801 173.502 3.299 1
1 546 . 1 1 1 A 57 57 GLY CA C 57 45.927 45.964 -0.037 1
1 547 . 1 1 1 A 57 57 GLY N N 57 110.613 113.531 -2.918 1
1 548 . 1 1 1 A 58 58 LYS H H 58 8.125 7.994 0.131 1
1 549 . 1 1 1 A 58 58 LYS HA H 58 4.313 4.500 -0.187 1
1 554 . 1 1 1 A 58 58 LYS C C 58 176.220 176.124 0.096 1
1 555 . 1 1 1 A 58 58 LYS CA C 58 57.524 54.959 2.565 1
1 556 . 1 1 1 A 58 58 LYS CB C 58 33.485 33.105 0.380 1
1 560 . 1 1 1 A 58 58 LYS N N 58 120.526 118.153 2.373 1
1 561 . 1 1 1 A 59 59 LYS H H 59 8.227 8.761 -0.534 1
1 562 . 1 1 1 A 59 59 LYS HA H 59 4.202 4.026 0.176 1
1 567 . 1 1 1 A 59 59 LYS C C 59 177.075 176.965 0.110 1
1 568 . 1 1 1 A 59 59 LYS CA C 59 58.240 58.177 0.063 1
1 569 . 1 1 1 A 59 59 LYS CB C 59 33.354 32.968 0.386 1
1 573 . 1 1 1 A 59 59 LYS N N 59 121.098 125.805 -4.707 1
1 574 . 1 1 1 A 60 60 GLY H H 60 8.337 7.945 0.392 1
1 575 . 1 1 1 A 60 60 GLY HA2 H 60 4.047 4.030 0.017 1
1 576 . 1 1 1 A 60 60 GLY C C 60 174.631 174.519 0.112 1
1 577 . 1 1 1 A 60 60 GLY CA C 60 46.282 45.515 0.767 1
1 578 . 1 1 1 A 60 60 GLY N N 60 109.436 106.837 2.599 1
1 579 . 1 1 1 A 61 61 THR H H 61 7.947 7.801 0.146 1
1 580 . 1 1 1 A 61 61 THR HA H 61 4.396 4.636 -0.240 1
1 585 . 1 1 1 A 61 61 THR C C 61 174.470 175.446 -0.976 1
1 586 . 1 1 1 A 61 61 THR CA C 61 62.795 62.467 0.328 1
1 587 . 1 1 1 A 61 61 THR CB C 61 70.637 70.322 0.315 1
1 589 . 1 1 1 A 61 61 THR N N 61 112.095 109.585 2.510 1
1 590 . 1 1 1 A 62 62 VAL H H 62 7.788 8.020 -0.232 1
1 591 . 1 1 1 A 62 62 VAL HA H 62 4.243 4.325 -0.082 1
1 596 . 1 1 1 A 62 62 VAL CA C 62 62.733 63.601 -0.868 1
1 597 . 1 1 1 A 62 62 VAL CB C 62 33.693 33.585 0.108 1
1 599 . 1 1 1 A 62 62 VAL N N 62 120.973 123.093 -2.120 1
1 600 . 1 1 1 A 63 63 SER H H 63 8.052 8.267 -0.215 1
1 601 . 1 1 1 A 63 63 SER HA H 63 4.665 4.222 0.443 1
1 604 . 1 1 1 A 63 63 SER CA C 63 57.747 62.008 -4.261 1
1 605 . 1 1 1 A 63 63 SER CB C 63 64.991 63.070 1.921 1
1 606 . 1 1 1 A 63 63 SER N N 63 119.427 116.737 2.690 1
1 607 . 1 1 1 A 64 64 ILE H H 64 8.191 7.471 0.720 1
1 608 . 1 1 1 A 64 64 ILE HA H 64 4.313 4.311 0.002 1
1 617 . 1 1 1 A 64 64 ILE CA C 64 59.873 60.211 -0.338 1
1 618 . 1 1 1 A 64 64 ILE CB C 64 38.818 37.564 1.254 1
1 621 . 1 1 1 A 64 64 ILE N N 64 122.947 119.113 3.834 1
1 622 . 1 1 1 A 65 65 PRO HA H 65 4.466 4.369 0.097 1
1 628 . 1 1 1 A 65 65 PRO CA C 65 64.303 64.058 0.245 1
1 629 . 1 1 1 A 65 65 PRO CB C 65 32.672 31.992 0.680 1
1 632 . 1 1 1 A 66 66 SER H H 66 8.002 8.026 -0.024 1
1 633 . 1 1 1 A 66 66 SER HA H 66 4.498 4.151 0.347 1
1 635 . 1 1 1 A 66 66 SER CA C 66 58.702 59.472 -0.770 1
1 636 . 1 1 1 A 66 66 SER CB C 66 64.819 62.224 2.595 1
1 637 . 1 1 1 A 66 66 SER N N 66 112.889 113.837 -0.948 1
1 638 . 1 1 1 A 67 67 LYS H H 67 8.137 8.298 -0.161 1
1 639 . 1 1 1 A 67 67 LYS HA H 67 4.347 4.471 -0.124 1
1 641 . 1 1 1 A 67 67 LYS C C 67 176.555 176.161 0.394 1
1 642 . 1 1 1 A 67 67 LYS CA C 67 57.061 56.856 0.205 1
1 643 . 1 1 1 A 67 67 LYS CB C 67 33.669 35.594 -1.925 1
1 647 . 1 1 1 A 67 67 LYS N N 67 122.114 118.799 3.315 1
1 648 . 1 1 1 A 68 68 LYS H H 68 8.118 7.954 0.164 1
1 649 . 1 1 1 A 68 68 LYS HA H 68 4.322 4.023 0.299 1
1 651 . 1 1 1 A 68 68 LYS C C 68 176.446 176.507 -0.061 1
1 652 . 1 1 1 A 68 68 LYS CA C 68 57.043 57.012 0.031 1
1 653 . 1 1 1 A 68 68 LYS CB C 68 33.531 30.787 2.744 1
1 657 . 1 1 1 A 68 68 LYS N N 68 121.435 116.661 4.774 1
1 658 . 1 1 1 A 69 69 LYS H H 69 8.394 7.987 0.407 1
1 659 . 1 1 1 A 69 69 LYS HA H 69 4.351 4.120 0.231 1
1 663 . 1 1 1 A 69 69 LYS C C 69 175.623 176.812 -1.189 1
1 664 . 1 1 1 A 69 69 LYS CA C 69 56.762 58.395 -1.633 1
1 665 . 1 1 1 A 69 69 LYS CB C 69 33.782 32.858 0.924 1
1 669 . 1 1 1 A 69 69 LYS N N 69 121.052 121.589 -0.537 1
1 670 . 1 1 1 A 70 70 ASN H H 70 8.014 8.032 -0.018 1
1 671 . 1 1 1 A 70 70 ASN HA H 70 4.515 5.093 -0.578 1
1 675 . 1 1 1 A 70 70 ASN CA C 70 55.331 52.319 3.012 1
1 676 . 1 1 1 A 70 70 ASN CB C 70 41.478 40.427 1.051 1
1 677 . 1 1 1 A 70 70 ASN N N 70 125.005 116.873 8.132 1
1 679 . 1 1 1 A 71 71 GLY H H 71 8.255 8.219 0.036 1
1 680 . 1 1 1 A 71 71 GLY HA2 H 71 3.986 3.956 0.030 1
1 681 . 1 1 1 A 71 71 GLY C C 71 174.458 174.917 -0.459 1
1 682 . 1 1 1 A 71 71 GLY CA C 71 46.110 45.499 0.611 1
1 683 . 1 1 1 A 71 71 GLY N N 71 114.247 110.584 3.663 1
1 684 . 1 1 1 A 72 72 ASN H H 72 8.462 8.205 0.257 1
1 685 . 1 1 1 A 72 72 ASN HA H 72 4.796 4.602 0.194 1
1 689 . 1 1 1 A 72 72 ASN C C 72 175.757 176.611 -0.854 1
1 690 . 1 1 1 A 72 72 ASN CA C 72 53.882 55.994 -2.112 1
1 691 . 1 1 1 A 72 72 ASN CB C 72 39.885 38.568 1.317 1
1 692 . 1 1 1 A 72 72 ASN N N 72 118.314 119.961 -1.647 1
1 694 . 1 1 1 A 73 73 GLY H H 73 8.469 7.942 0.527 1
1 695 . 1 1 1 A 73 73 GLY HA2 H 73 3.968 3.980 -0.012 1
1 696 . 1 1 1 A 73 73 GLY C C 73 174.791 174.496 0.295 1
1 697 . 1 1 1 A 73 73 GLY CA C 73 46.247 44.649 1.598 1
1 698 . 1 1 1 A 73 73 GLY N N 73 109.019 106.922 2.097 1
1 699 . 1 1 1 A 74 74 GLY H H 74 7.946 8.510 -0.564 1
1 700 . 1 1 1 A 74 74 GLY HA2 H 74 4.112 4.324 -0.212 1
1 701 . 1 1 1 A 74 74 GLY HA3 H 74 4.177 4.382 -0.205 1
1 702 . 1 1 1 A 74 74 GLY C C 74 175.399 174.887 0.512 1
1 703 . 1 1 1 A 74 74 GLY CA C 74 45.825 44.820 1.005 1
1 704 . 1 1 1 A 74 74 GLY N N 74 108.672 107.525 1.147 1
1 705 . 1 1 1 A 75 75 VAL H H 75 8.168 8.595 -0.427 1
1 706 . 1 1 1 A 75 75 VAL HA H 75 3.881 3.866 0.015 1
1 714 . 1 1 1 A 75 75 VAL C C 75 176.466 176.426 0.040 1
1 715 . 1 1 1 A 75 75 VAL CA C 75 64.845 63.860 0.985 1
1 716 . 1 1 1 A 75 75 VAL CB C 75 32.811 31.771 1.040 1
1 719 . 1 1 1 A 75 75 VAL N N 75 119.832 121.713 -1.881 1
1 720 . 1 1 1 A 76 76 PHE H H 76 8.138 7.852 0.286 1
1 721 . 1 1 1 A 76 76 PHE HA H 76 4.664 4.495 0.169 1
1 729 . 1 1 1 A 76 76 PHE C C 76 176.775 176.054 0.721 1
1 730 . 1 1 1 A 76 76 PHE CA C 76 58.810 59.668 -0.858 1
1 731 . 1 1 1 A 76 76 PHE CB C 76 39.177 40.382 -1.205 1
1 732 . 1 1 1 A 76 76 PHE N N 76 118.007 115.857 2.150 1
1 733 . 1 1 1 A 77 77 GLY H H 77 8.080 8.074 0.006 1
1 734 . 1 1 1 A 77 77 GLY HA2 H 77 3.948 3.932 0.016 1
1 735 . 1 1 1 A 77 77 GLY C C 77 175.581 175.311 0.270 1
1 736 . 1 1 1 A 77 77 GLY CA C 77 47.292 45.249 2.043 1
1 737 . 1 1 1 A 77 77 GLY N N 77 107.115 106.350 0.765 1
1 738 . 1 1 1 A 78 78 GLY H H 78 8.136 8.215 -0.079 1
1 739 . 1 1 1 A 78 78 GLY HA2 H 78 4.011 3.818 0.193 1
1 740 . 1 1 1 A 78 78 GLY C C 78 175.337 174.871 0.466 1
1 741 . 1 1 1 A 78 78 GLY CA C 78 46.315 45.116 1.199 1
1 742 . 1 1 1 A 78 78 GLY N N 78 108.462 108.206 0.256 1
1 743 . 1 1 1 A 79 79 LEU H H 79 7.641 7.660 -0.019 1
1 744 . 1 1 1 A 79 79 LEU HA H 79 4.022 4.230 -0.208 1
1 753 . 1 1 1 A 79 79 LEU C C 79 177.256 177.653 -0.397 1
1 754 . 1 1 1 A 79 79 LEU CA C 79 57.813 56.618 1.195 1
1 755 . 1 1 1 A 79 79 LEU CB C 79 43.316 42.644 0.672 1
1 759 . 1 1 1 A 79 79 LEU N N 79 121.664 120.950 0.714 1
1 760 . 1 1 1 A 80 80 PHE H H 80 7.944 7.092 0.852 1
1 761 . 1 1 1 A 80 80 PHE HA H 80 4.633 4.854 -0.221 1
1 768 . 1 1 1 A 80 80 PHE C C 80 175.433 174.739 0.694 1
1 769 . 1 1 1 A 80 80 PHE CA C 80 58.208 56.793 1.415 1
1 770 . 1 1 1 A 80 80 PHE CB C 80 39.615 39.117 0.498 1
1 771 . 1 1 1 A 80 80 PHE N N 80 114.796 112.277 2.519 1
1 772 . 1 1 1 A 81 81 ALA H H 81 7.611 7.204 0.407 1
1 773 . 1 1 1 A 81 81 ALA HA H 81 4.364 4.721 -0.357 1
1 777 . 1 1 1 A 81 81 ALA C C 81 177.568 176.278 1.290 1
1 778 . 1 1 1 A 81 81 ALA CA C 81 52.989 50.424 2.565 1
1 779 . 1 1 1 A 81 81 ALA CB C 81 19.902 20.676 -0.774 1
1 780 . 1 1 1 A 81 81 ALA N N 81 122.618 122.721 -0.103 1
1 781 . 1 1 1 A 82 82 LYS H H 82 8.155 8.978 -0.823 1
1 782 . 1 1 1 A 82 82 LYS HA H 82 4.313 5.079 -0.766 1
1 784 . 1 1 1 A 82 82 LYS C C 82 176.941 175.040 1.901 1
1 785 . 1 1 1 A 82 82 LYS CA C 82 57.023 54.904 2.119 1
1 786 . 1 1 1 A 82 82 LYS CB C 82 33.299 35.039 -1.740 1
1 789 . 1 1 1 A 82 82 LYS N N 82 120.345 123.022 -2.677 1
1 790 . 1 1 1 A 83 83 LYS H H 83 8.256 8.722 -0.466 1
1 791 . 1 1 1 A 83 83 LYS HA H 83 4.378 4.650 -0.272 1
1 794 . 1 1 1 A 83 83 LYS CA C 83 56.618 55.157 1.461 1
1 795 . 1 1 1 A 83 83 LYS CB C 83 33.767 32.342 1.425 1
1 799 . 1 1 1 A 83 83 LYS N N 83 122.901 123.458 -0.557 1
1 6 . 2 1 1 A 2 2 ALA H H 2 8.448 8.239 0.209 1
1 7 . 2 1 1 A 2 2 ALA HA H 2 4.314 4.777 -0.463 1
1 11 . 2 1 1 A 2 2 ALA C C 2 177.731 177.033 0.698 1
1 12 . 2 1 1 A 2 2 ALA CA C 2 53.711 51.144 2.567 1
1 13 . 2 1 1 A 2 2 ALA CB C 2 19.629 22.759 -3.130 1
1 14 . 2 1 1 A 2 2 ALA N N 2 125.995 128.090 -2.095 1
1 15 . 2 1 1 A 3 3 ALA H H 3 8.148 8.463 -0.315 1
1 16 . 2 1 1 A 3 3 ALA HA H 3 4.292 4.105 0.187 1
1 20 . 2 1 1 A 3 3 ALA C C 3 177.888 177.471 0.417 1
1 21 . 2 1 1 A 3 3 ALA CA C 3 53.439 55.240 -1.801 1
1 22 . 2 1 1 A 3 3 ALA CB C 3 19.671 19.227 0.444 1
1 23 . 2 1 1 A 3 3 ALA N N 3 121.767 123.196 -1.429 1
1 24 . 2 1 1 A 4 4 LYS H H 4 8.047 7.997 0.050 1
1 25 . 2 1 1 A 4 4 LYS HA H 4 4.314 3.968 0.346 1
1 27 . 2 1 1 A 4 4 LYS C C 4 177.363 176.928 0.435 1
1 28 . 2 1 1 A 4 4 LYS CA C 4 57.279 57.021 0.258 1
1 29 . 2 1 1 A 4 4 LYS CB C 4 33.570 30.899 2.671 1
1 33 . 2 1 1 A 4 4 LYS N N 4 119.233 115.333 3.900 1
1 34 . 2 1 1 A 5 5 GLY H H 5 8.317 8.459 -0.142 1
1 35 . 2 1 1 A 5 5 GLY HA2 H 5 4.039 3.936 0.103 1
1 36 . 2 1 1 A 5 5 GLY C C 5 174.706 173.694 1.012 1
1 37 . 2 1 1 A 5 5 GLY CA C 5 46.246 45.569 0.677 1
1 38 . 2 1 1 A 5 5 GLY N N 5 109.070 110.166 -1.096 1
1 39 . 2 1 1 A 6 6 THR H H 6 8.002 7.388 0.614 1
1 40 . 2 1 1 A 6 6 THR HA H 6 4.357 4.690 -0.333 1
1 42 . 2 1 1 A 6 6 THR C C 6 174.839 174.557 0.282 1
1 43 . 2 1 1 A 6 6 THR CA C 6 62.444 61.489 0.955 1
1 44 . 2 1 1 A 6 6 THR CB C 6 70.490 71.248 -0.758 1
1 46 . 2 1 1 A 6 6 THR N N 6 112.809 113.766 -0.957 1
1 47 . 2 1 1 A 7 7 ALA H H 7 8.309 8.851 -0.542 1
1 48 . 2 1 1 A 7 7 ALA HA H 7 4.322 3.996 0.326 1
1 52 . 2 1 1 A 7 7 ALA C C 7 178.032 177.707 0.325 1
1 53 . 2 1 1 A 7 7 ALA CA C 7 53.792 55.658 -1.866 1
1 54 . 2 1 1 A 7 7 ALA CB C 7 19.733 18.572 1.161 1
1 55 . 2 1 1 A 7 7 ALA N N 7 125.292 128.889 -3.597 1
1 56 . 2 1 1 A 8 8 GLU H H 8 8.358 8.145 0.213 1
1 57 . 2 1 1 A 8 8 GLU HA H 8 4.297 4.008 0.289 1
1 59 . 2 1 1 A 8 8 GLU C C 8 176.936 175.651 1.285 1
1 60 . 2 1 1 A 8 8 GLU CA C 8 57.618 57.272 0.346 1
1 61 . 2 1 1 A 8 8 GLU CB C 8 30.792 28.133 2.659 1
1 63 . 2 1 1 A 8 8 GLU N N 8 118.943 117.843 1.100 1
1 64 . 2 1 1 A 9 9 THR H H 9 7.974 8.159 -0.185 1
1 65 . 2 1 1 A 9 9 THR HA H 9 4.365 4.747 -0.382 1
1 67 . 2 1 1 A 9 9 THR C C 9 174.629 173.691 0.938 1
1 68 . 2 1 1 A 9 9 THR CA C 9 62.617 62.294 0.323 1
1 69 . 2 1 1 A 9 9 THR CB C 9 70.422 69.773 0.649 1
1 71 . 2 1 1 A 9 9 THR N N 9 113.540 115.866 -2.326 1
1 72 . 2 1 1 A 10 10 LYS H H 10 8.242 8.511 -0.269 1
1 73 . 2 1 1 A 10 10 LYS HA H 10 4.314 4.667 -0.353 1
1 75 . 2 1 1 A 10 10 LYS C C 10 176.513 175.228 1.285 1
1 76 . 2 1 1 A 10 10 LYS CA C 10 57.173 55.921 1.252 1
1 77 . 2 1 1 A 10 10 LYS CB C 10 33.511 32.787 0.724 1
1 81 . 2 1 1 A 10 10 LYS N N 10 123.339 127.198 -3.859 1
1 82 . 2 1 1 A 11 11 GLN H H 11 8.381 8.940 -0.559 1
1 83 . 2 1 1 A 11 11 GLN HA H 11 4.322 4.528 -0.206 1
1 89 . 2 1 1 A 11 11 GLN C C 11 176.073 175.122 0.951 1
1 90 . 2 1 1 A 11 11 GLN CA C 11 56.689 54.922 1.767 1
1 91 . 2 1 1 A 11 11 GLN CB C 11 29.940 28.611 1.329 1
1 93 . 2 1 1 A 11 11 GLN N N 11 120.885 122.174 -1.289 1
1 95 . 2 1 1 A 12 12 GLU H H 12 8.407 8.134 0.273 1
1 96 . 2 1 1 A 12 12 GLU HA H 12 4.304 4.608 -0.304 1
1 98 . 2 1 1 A 12 12 GLU C C 12 176.253 176.698 -0.445 1
1 99 . 2 1 1 A 12 12 GLU CA C 12 57.536 54.909 2.627 1
1 100 . 2 1 1 A 12 12 GLU CB C 12 30.799 31.187 -0.388 1
1 102 . 2 1 1 A 12 12 GLU N N 12 121.152 120.404 0.748 1
1 103 . 2 1 1 A 13 13 LYS H H 13 8.220 8.655 -0.435 1
1 104 . 2 1 1 A 13 13 LYS HA H 13 4.542 3.794 0.748 1
1 108 . 2 1 1 A 13 13 LYS C C 13 175.856 175.526 0.330 1
1 109 . 2 1 1 A 13 13 LYS CA C 13 56.335 57.488 -1.153 1
1 110 . 2 1 1 A 13 13 LYS CB C 13 33.863 31.155 2.708 1
1 114 . 2 1 1 A 13 13 LYS N N 13 121.312 120.726 0.586 1
1 115 . 2 1 1 A 14 14 SER H H 14 8.447 7.902 0.545 1
1 116 . 2 1 1 A 14 14 SER HA H 14 4.639 4.529 0.110 1
1 119 . 2 1 1 A 14 14 SER C C 14 175.529 175.874 -0.345 1
1 120 . 2 1 1 A 14 14 SER CA C 14 58.802 58.364 0.438 1
1 121 . 2 1 1 A 14 14 SER CB C 14 64.803 64.374 0.429 1
1 122 . 2 1 1 A 14 14 SER N N 14 116.487 114.908 1.579 1
1 123 . 2 1 1 A 15 15 PHE H H 15 8.802 9.501 -0.699 1
1 124 . 2 1 1 A 15 15 PHE HA H 15 4.448 4.273 0.175 1
1 129 . 2 1 1 A 15 15 PHE C C 15 176.935 177.618 -0.683 1
1 130 . 2 1 1 A 15 15 PHE CA C 15 62.188 60.602 1.586 1
1 131 . 2 1 1 A 15 15 PHE CB C 15 39.721 38.130 1.591 1
1 132 . 2 1 1 A 15 15 PHE N N 15 124.339 122.576 1.763 1
1 133 . 2 1 1 A 16 16 VAL H H 16 8.025 7.330 0.695 1
1 134 . 2 1 1 A 16 16 VAL HA H 16 3.490 3.383 0.107 1
1 142 . 2 1 1 A 16 16 VAL C C 16 177.123 177.156 -0.033 1
1 143 . 2 1 1 A 16 16 VAL CA C 16 67.959 64.494 3.465 1
1 144 . 2 1 1 A 16 16 VAL CB C 16 32.250 30.710 1.540 1
1 147 . 2 1 1 A 16 16 VAL N N 16 118.329 120.745 -2.416 1
1 148 . 2 1 1 A 17 17 ASP H H 17 7.926 8.035 -0.109 1
1 149 . 2 1 1 A 17 17 ASP HA H 17 4.354 4.304 0.050 1
1 152 . 2 1 1 A 17 17 ASP C C 17 179.625 178.198 1.427 1
1 153 . 2 1 1 A 17 17 ASP CA C 17 58.204 57.170 1.034 1
1 154 . 2 1 1 A 17 17 ASP CB C 17 41.324 41.342 -0.018 1
1 155 . 2 1 1 A 17 17 ASP N N 17 118.753 120.904 -2.151 1
1 156 . 2 1 1 A 18 18 TRP H H 18 8.174 8.026 0.148 1
1 157 . 2 1 1 A 18 18 TRP HA H 18 4.111 4.354 -0.243 1
1 163 . 2 1 1 A 18 18 TRP CA C 18 62.194 60.759 1.435 1
1 164 . 2 1 1 A 18 18 TRP CB C 18 29.150 29.585 -0.435 1
1 165 . 2 1 1 A 18 18 TRP N N 18 122.311 121.486 0.825 1
1 167 . 2 1 1 A 19 19 LEU H H 19 8.517 8.648 -0.131 1
1 168 . 2 1 1 A 19 19 LEU HA H 19 3.447 3.767 -0.320 1
1 178 . 2 1 1 A 19 19 LEU C C 19 179.115 179.112 0.003 1
1 179 . 2 1 1 A 19 19 LEU CA C 19 58.630 58.305 0.325 1
1 180 . 2 1 1 A 19 19 LEU CB C 19 42.676 42.023 0.653 1
1 184 . 2 1 1 A 19 19 LEU N N 19 120.943 120.994 -0.051 1
1 185 . 2 1 1 A 20 20 LEU H H 20 8.713 8.658 0.055 1
1 186 . 2 1 1 A 20 20 LEU HA H 20 3.972 4.001 -0.029 1
1 196 . 2 1 1 A 20 20 LEU C C 20 180.266 178.647 1.619 1
1 197 . 2 1 1 A 20 20 LEU CA C 20 58.318 57.626 0.692 1
1 198 . 2 1 1 A 20 20 LEU CB C 20 41.655 41.741 -0.086 1
1 202 . 2 1 1 A 20 20 LEU N N 20 117.598 119.443 -1.845 1
1 203 . 2 1 1 A 21 21 GLY H H 21 7.783 8.270 -0.487 1
1 204 . 2 1 1 A 21 21 GLY HA2 H 21 3.829 3.827 0.002 1
1 205 . 2 1 1 A 21 21 GLY C C 21 175.390 176.196 -0.806 1
1 206 . 2 1 1 A 21 21 GLY CA C 21 46.978 47.086 -0.108 1
1 207 . 2 1 1 A 21 21 GLY N N 21 106.102 107.442 -1.340 1
1 208 . 2 1 1 A 22 22 LYS H H 22 7.443 7.581 -0.138 1
1 209 . 2 1 1 A 22 22 LYS HA H 22 4.090 4.070 0.020 1
1 217 . 2 1 1 A 22 22 LYS C C 22 177.806 179.310 -1.504 1
1 218 . 2 1 1 A 22 22 LYS CA C 22 56.974 59.116 -2.142 1
1 219 . 2 1 1 A 22 22 LYS CB C 22 32.718 31.994 0.724 1
1 223 . 2 1 1 A 22 22 LYS N N 22 118.883 122.010 -3.127 1
1 224 . 2 1 1 A 23 23 ILE H H 23 7.550 7.282 0.268 1
1 225 . 2 1 1 A 23 23 ILE HA H 23 4.165 3.799 0.366 1
1 235 . 2 1 1 A 23 23 ILE C C 23 175.996 175.747 0.249 1
1 236 . 2 1 1 A 23 23 ILE CA C 23 62.916 64.633 -1.717 1
1 237 . 2 1 1 A 23 23 ILE CB C 23 39.444 38.238 1.206 1
1 241 . 2 1 1 A 23 23 ILE N N 23 114.457 117.966 -3.509 1
1 242 . 2 1 1 A 24 24 THR H H 24 7.778 8.240 -0.462 1
1 243 . 2 1 1 A 24 24 THR HA H 24 4.379 3.961 0.418 1
1 248 . 2 1 1 A 24 24 THR C C 24 174.616 173.329 1.287 1
1 249 . 2 1 1 A 24 24 THR CA C 24 62.699 62.134 0.565 1
1 250 . 2 1 1 A 24 24 THR CB C 24 70.567 67.445 3.122 1
1 252 . 2 1 1 A 24 24 THR N N 24 113.224 113.377 -0.153 1
1 253 . 2 1 1 A 25 25 LYS H H 25 7.956 7.791 0.165 1
1 259 . 2 1 1 A 25 25 LYS CA C 25 56.696 55.751 0.945 1
1 260 . 2 1 1 A 25 25 LYS CB C 25 33.428 33.129 0.299 1
1 262 . 2 1 1 A 25 25 LYS N N 25 122.468 121.525 0.943 1
1 263 . 2 1 1 A 26 26 GLU H H 26 8.392 8.680 -0.288 1
1 264 . 2 1 1 A 26 26 GLU HA H 26 4.230 4.408 -0.178 1
1 268 . 2 1 1 A 26 26 GLU C C 26 176.320 175.812 0.508 1
1 269 . 2 1 1 A 26 26 GLU CA C 26 57.616 56.148 1.468 1
1 270 . 2 1 1 A 26 26 GLU CB C 26 30.854 28.739 2.115 1
1 272 . 2 1 1 A 26 26 GLU N N 26 121.068 118.042 3.026 1
1 273 . 2 1 1 A 27 27 ASP H H 27 8.299 7.859 0.440 1
1 274 . 2 1 1 A 27 27 ASP HA H 27 4.496 4.346 0.150 1
1 276 . 2 1 1 A 27 27 ASP C C 27 175.931 177.478 -1.547 1
1 277 . 2 1 1 A 27 27 ASP CA C 27 55.161 56.324 -1.163 1
1 278 . 2 1 1 A 27 27 ASP CB C 27 41.532 39.521 2.011 1
1 279 . 2 1 1 A 27 27 ASP N N 27 119.412 116.094 3.318 1
1 280 . 2 1 1 A 28 28 GLN H H 28 8.108 8.694 -0.586 1
1 281 . 2 1 1 A 28 28 GLN HA H 28 4.215 4.062 0.153 1
1 286 . 2 1 1 A 28 28 GLN C C 28 175.845 177.133 -1.288 1
1 287 . 2 1 1 A 28 28 GLN CA C 28 56.559 58.318 -1.759 1
1 288 . 2 1 1 A 28 28 GLN CB C 28 30.105 28.743 1.362 1
1 290 . 2 1 1 A 28 28 GLN N N 28 119.037 120.985 -1.948 1
1 292 . 2 1 1 A 29 29 PHE H H 29 8.235 7.201 1.034 1
1 293 . 2 1 1 A 29 29 PHE HA H 29 4.514 4.745 -0.231 1
1 299 . 2 1 1 A 29 29 PHE C C 29 175.361 175.265 0.096 1
1 300 . 2 1 1 A 29 29 PHE CA C 29 58.810 56.685 2.125 1
1 301 . 2 1 1 A 29 29 PHE CB C 29 40.000 39.565 0.435 1
1 302 . 2 1 1 A 29 29 PHE N N 29 120.622 112.721 7.901 1
1 303 . 2 1 1 A 30 30 TYR H H 30 7.715 7.685 0.030 1
1 304 . 2 1 1 A 30 30 TYR HA H 30 4.508 4.503 0.005 1
1 310 . 2 1 1 A 30 30 TYR C C 30 175.416 176.572 -1.156 1
1 311 . 2 1 1 A 30 30 TYR CA C 30 58.544 59.718 -1.174 1
1 312 . 2 1 1 A 30 30 TYR CB C 30 39.613 39.112 0.501 1
1 313 . 2 1 1 A 30 30 TYR N N 30 119.864 121.816 -1.952 1
1 314 . 2 1 1 A 31 31 GLU H H 31 8.187 8.729 -0.542 1
1 315 . 2 1 1 A 31 31 GLU HA H 31 4.293 4.621 -0.328 1
1 319 . 2 1 1 A 31 31 GLU C C 31 176.148 177.369 -1.221 1
1 320 . 2 1 1 A 31 31 GLU CA C 31 57.172 55.998 1.174 1
1 321 . 2 1 1 A 31 31 GLU CB C 31 30.845 29.374 1.471 1
1 323 . 2 1 1 A 31 31 GLU N N 31 121.546 121.660 -0.114 1
1 324 . 2 1 1 A 32 32 THR H H 32 7.864 7.852 0.012 1
1 325 . 2 1 1 A 32 32 THR HA H 32 4.359 4.386 -0.027 1
1 330 . 2 1 1 A 32 32 THR C C 32 173.970 173.814 0.156 1
1 331 . 2 1 1 A 32 32 THR CA C 32 62.043 64.621 -2.578 1
1 332 . 2 1 1 A 32 32 THR CB C 32 70.721 69.978 0.743 1
1 334 . 2 1 1 A 32 32 THR N N 32 113.695 114.544 -0.849 1
1 335 . 2 1 1 A 33 33 ASP H H 33 8.317 7.978 0.339 1
1 336 . 2 1 1 A 33 33 ASP HA H 33 4.880 4.312 0.568 1
1 339 . 2 1 1 A 33 33 ASP CA C 33 53.661 54.698 -1.037 1
1 340 . 2 1 1 A 33 33 ASP CB C 33 41.474 39.516 1.958 1
1 341 . 2 1 1 A 33 33 ASP N N 33 123.601 119.943 3.658 1
1 342 . 2 1 1 A 34 34 PRO HA H 34 4.408 4.686 -0.278 1
1 348 . 2 1 1 A 34 34 PRO C C 34 174.420 176.034 -1.614 1
1 349 . 2 1 1 A 34 34 PRO CA C 34 64.164 62.751 1.413 1
1 350 . 2 1 1 A 34 34 PRO CB C 34 32.774 31.627 1.147 1
1 353 . 2 1 1 A 35 35 ILE H H 35 8.143 8.145 -0.002 1
1 354 . 2 1 1 A 35 35 ILE HA H 35 4.046 5.077 -1.031 1
1 364 . 2 1 1 A 35 35 ILE C C 35 176.474 175.003 1.471 1
1 365 . 2 1 1 A 35 35 ILE CA C 35 62.937 59.065 3.872 1
1 366 . 2 1 1 A 35 35 ILE CB C 35 39.275 42.009 -2.734 1
1 370 . 2 1 1 A 35 35 ILE N N 35 120.322 117.482 2.840 1
1 371 . 2 1 1 A 36 36 LEU H H 36 7.975 8.472 -0.497 1
1 372 . 2 1 1 A 36 36 LEU HA H 36 4.398 4.429 -0.031 1
1 381 . 2 1 1 A 36 36 LEU C C 36 177.299 178.151 -0.852 1
1 382 . 2 1 1 A 36 36 LEU CA C 36 56.022 56.050 -0.028 1
1 383 . 2 1 1 A 36 36 LEU CB C 36 42.837 42.615 0.222 1
1 387 . 2 1 1 A 36 36 LEU N N 36 121.023 121.367 -0.344 1
1 388 . 2 1 1 A 37 37 ARG H H 37 7.932 8.128 -0.196 1
1 389 . 2 1 1 A 37 37 ARG HA H 37 4.345 4.453 -0.108 1
1 395 . 2 1 1 A 37 37 ARG C C 37 176.869 177.303 -0.434 1
1 396 . 2 1 1 A 37 37 ARG CA C 37 56.912 56.496 0.416 1
1 397 . 2 1 1 A 37 37 ARG CB C 37 31.127 32.083 -0.956 1
1 400 . 2 1 1 A 37 37 ARG N N 37 118.673 116.401 2.272 1
1 402 . 2 1 1 A 38 38 GLY H H 38 8.271 7.685 0.586 1
1 403 . 2 1 1 A 38 38 GLY HA2 H 38 3.986 3.987 -0.001 1
1 404 . 2 1 1 A 38 38 GLY C C 38 174.864 175.730 -0.866 1
1 405 . 2 1 1 A 38 38 GLY CA C 38 46.258 45.490 0.768 1
1 406 . 2 1 1 A 38 38 GLY N N 38 108.377 106.916 1.461 1
1 407 . 2 1 1 A 39 39 GLY H H 39 8.218 8.147 0.071 1
1 408 . 2 1 1 A 39 39 GLY HA2 H 39 3.998 3.902 0.096 1
1 409 . 2 1 1 A 39 39 GLY C C 39 174.158 174.332 -0.174 1
1 410 . 2 1 1 A 39 39 GLY CA C 39 46.187 46.538 -0.351 1
1 411 . 2 1 1 A 39 39 GLY N N 39 108.485 109.711 -1.226 1
1 412 . 2 1 1 A 40 40 ASP H H 40 8.274 8.208 0.066 1
1 413 . 2 1 1 A 40 40 ASP HA H 40 4.699 4.719 -0.020 1
1 415 . 2 1 1 A 40 40 ASP C C 40 176.791 177.559 -0.768 1
1 416 . 2 1 1 A 40 40 ASP CA C 40 55.105 54.606 0.499 1
1 417 . 2 1 1 A 40 40 ASP CB C 40 41.715 41.906 -0.191 1
1 418 . 2 1 1 A 40 40 ASP N N 40 120.261 118.635 1.626 1
1 419 . 2 1 1 A 41 41 VAL H H 41 8.071 7.952 0.119 1
1 420 . 2 1 1 A 41 41 VAL HA H 41 3.993 3.864 0.129 1
1 425 . 2 1 1 A 41 41 VAL C C 41 176.869 176.670 0.199 1
1 426 . 2 1 1 A 41 41 VAL CA C 41 64.502 64.687 -0.185 1
1 427 . 2 1 1 A 41 41 VAL CB C 41 32.773 31.547 1.226 1
1 429 . 2 1 1 A 41 41 VAL N N 41 120.111 120.012 0.099 1
1 430 . 2 1 1 A 42 42 LYS H H 42 8.213 7.579 0.634 1
1 431 . 2 1 1 A 42 42 LYS HA H 42 4.299 4.403 -0.104 1
1 434 . 2 1 1 A 42 42 LYS C C 42 177.041 175.868 1.173 1
1 435 . 2 1 1 A 42 42 LYS CA C 42 57.639 56.133 1.506 1
1 436 . 2 1 1 A 42 42 LYS CB C 42 33.227 33.044 0.183 1
1 440 . 2 1 1 A 42 42 LYS N N 42 121.557 122.508 -0.951 1
1 441 . 2 1 1 A 43 43 SER H H 43 8.126 8.698 -0.572 1
1 442 . 2 1 1 A 43 43 SER HA H 43 4.452 5.202 -0.750 1
1 444 . 2 1 1 A 43 43 SER C C 43 175.085 172.471 2.614 1
1 445 . 2 1 1 A 43 43 SER CA C 43 59.403 56.977 2.426 1
1 446 . 2 1 1 A 43 43 SER CB C 43 64.208 65.239 -1.031 1
1 447 . 2 1 1 A 43 43 SER N N 43 115.295 119.787 -4.492 1
1 448 . 2 1 1 A 44 44 SER H H 44 8.251 8.802 -0.551 1
1 449 . 2 1 1 A 44 44 SER HA H 44 4.479 4.837 -0.358 1
1 451 . 2 1 1 A 44 44 SER C C 44 175.331 172.876 2.455 1
1 452 . 2 1 1 A 44 44 SER CA C 44 59.701 57.220 2.481 1
1 453 . 2 1 1 A 44 44 SER CB C 44 64.453 65.807 -1.354 1
1 454 . 2 1 1 A 44 44 SER N N 44 117.357 120.397 -3.040 1
1 455 . 2 1 1 A 45 45 GLY H H 45 8.401 8.384 0.017 1
1 456 . 2 1 1 A 45 45 GLY HA2 H 45 4.030 4.229 -0.199 1
1 457 . 2 1 1 A 45 45 GLY C C 45 174.472 173.495 0.977 1
1 458 . 2 1 1 A 45 45 GLY CA C 45 46.258 44.633 1.625 1
1 459 . 2 1 1 A 45 45 GLY N N 45 110.523 111.521 -0.998 1
1 460 . 2 1 1 A 46 46 SER H H 46 8.177 8.763 -0.586 1
1 461 . 2 1 1 A 46 46 SER HA H 46 4.536 4.146 0.390 1
1 463 . 2 1 1 A 46 46 SER C C 46 175.206 174.755 0.451 1
1 464 . 2 1 1 A 46 46 SER CA C 46 59.244 59.102 0.142 1
1 465 . 2 1 1 A 46 46 SER CB C 46 64.484 61.894 2.590 1
1 466 . 2 1 1 A 46 46 SER N N 46 115.297 113.913 1.384 1
1 467 . 2 1 1 A 47 47 THR H H 47 8.198 8.047 0.151 1
1 468 . 2 1 1 A 47 47 THR HA H 47 4.432 4.106 0.326 1
1 470 . 2 1 1 A 47 47 THR C C 47 174.939 174.505 0.434 1
1 471 . 2 1 1 A 47 47 THR CA C 47 62.746 64.643 -1.897 1
1 472 . 2 1 1 A 47 47 THR CB C 47 70.246 68.987 1.259 1
1 474 . 2 1 1 A 47 47 THR N N 47 114.635 112.161 2.474 1
1 475 . 2 1 1 A 48 48 SER H H 48 8.228 7.818 0.410 1
1 476 . 2 1 1 A 48 48 SER HA H 48 4.473 4.796 -0.323 1
1 478 . 2 1 1 A 48 48 SER C C 48 175.241 173.703 1.538 1
1 479 . 2 1 1 A 48 48 SER CA C 48 59.480 57.572 1.908 1
1 480 . 2 1 1 A 48 48 SER CB C 48 64.429 65.949 -1.520 1
1 481 . 2 1 1 A 48 48 SER N N 48 117.146 113.249 3.897 1
1 482 . 2 1 1 A 49 49 GLY H H 49 8.342 8.531 -0.189 1
1 483 . 2 1 1 A 49 49 GLY HA2 H 49 4.048 4.247 -0.199 1
1 484 . 2 1 1 A 49 49 GLY C C 49 174.776 175.206 -0.430 1
1 485 . 2 1 1 A 49 49 GLY CA C 49 46.233 45.660 0.573 1
1 486 . 2 1 1 A 49 49 GLY N N 49 110.627 109.732 0.895 1
1 487 . 2 1 1 A 50 50 LYS H H 50 8.124 7.846 0.278 1
1 488 . 2 1 1 A 50 50 LYS HA H 50 4.302 4.296 0.006 1
1 490 . 2 1 1 A 50 50 LYS C C 50 176.932 176.515 0.417 1
1 491 . 2 1 1 A 50 50 LYS CA C 50 57.333 57.675 -0.342 1
1 492 . 2 1 1 A 50 50 LYS CB C 50 33.497 33.366 0.131 1
1 496 . 2 1 1 A 50 50 LYS N N 50 120.037 118.472 1.565 1
1 497 . 2 1 1 A 51 51 LYS H H 51 8.089 7.634 0.455 1
1 498 . 2 1 1 A 51 51 LYS HA H 51 4.325 4.748 -0.423 1
1 500 . 2 1 1 A 51 51 LYS C C 51 177.169 175.386 1.783 1
1 501 . 2 1 1 A 51 51 LYS CA C 51 57.251 55.121 2.130 1
1 502 . 2 1 1 A 51 51 LYS CB C 51 33.293 35.925 -2.632 1
1 506 . 2 1 1 A 51 51 LYS N N 51 120.805 113.891 6.914 1
1 507 . 2 1 1 A 52 52 GLY H H 52 8.304 8.566 -0.262 1
1 508 . 2 1 1 A 52 52 GLY HA2 H 52 4.005 4.091 -0.086 1
1 509 . 2 1 1 A 52 52 GLY C C 52 174.545 173.408 1.137 1
1 510 . 2 1 1 A 52 52 GLY CA C 52 46.250 45.744 0.506 1
1 511 . 2 1 1 A 52 52 GLY N N 52 109.109 107.033 2.076 1
1 512 . 2 1 1 A 53 53 GLY H H 53 8.201 8.327 -0.126 1
1 513 . 2 1 1 A 53 53 GLY HA2 H 53 4.051 4.253 -0.202 1
1 514 . 2 1 1 A 53 53 GLY C C 53 174.771 174.304 0.467 1
1 515 . 2 1 1 A 53 53 GLY CA C 53 46.204 44.930 1.274 1
1 516 . 2 1 1 A 53 53 GLY N N 53 108.474 109.265 -0.791 1
1 517 . 2 1 1 A 54 54 THR H H 54 8.115 8.696 -0.581 1
1 518 . 2 1 1 A 54 54 THR HA H 54 4.442 4.457 -0.015 1
1 522 . 2 1 1 A 54 54 THR C C 54 175.190 175.064 0.126 1
1 523 . 2 1 1 A 54 54 THR CA C 54 62.904 62.889 0.015 1
1 524 . 2 1 1 A 54 54 THR CB C 54 70.261 69.910 0.351 1
1 525 . 2 1 1 A 54 54 THR N N 54 113.386 115.354 -1.968 1
1 526 . 2 1 1 A 55 55 THR H H 55 8.158 8.015 0.143 1
1 527 . 2 1 1 A 55 55 THR HA H 55 4.452 3.954 0.498 1
1 531 . 2 1 1 A 55 55 THR C C 55 175.050 173.075 1.975 1
1 532 . 2 1 1 A 55 55 THR CA C 55 62.740 62.447 0.293 1
1 533 . 2 1 1 A 55 55 THR CB C 55 70.171 66.860 3.311 1
1 535 . 2 1 1 A 55 55 THR N N 55 114.825 112.694 2.131 1
1 536 . 2 1 1 A 56 56 SER H H 56 8.233 7.622 0.611 1
1 537 . 2 1 1 A 56 56 SER HA H 56 4.484 5.227 -0.743 1
1 539 . 2 1 1 A 56 56 SER C C 56 175.314 173.237 2.077 1
1 540 . 2 1 1 A 56 56 SER CA C 56 59.419 57.230 2.189 1
1 541 . 2 1 1 A 56 56 SER CB C 56 64.576 66.671 -2.095 1
1 542 . 2 1 1 A 56 56 SER N N 56 117.144 114.929 2.215 1
1 543 . 2 1 1 A 57 57 GLY H H 57 8.340 8.339 0.001 1
1 544 . 2 1 1 A 57 57 GLY HA2 H 57 4.043 4.112 -0.069 1
1 545 . 2 1 1 A 57 57 GLY C C 57 176.801 174.421 2.380 1
1 546 . 2 1 1 A 57 57 GLY CA C 57 45.927 45.640 0.287 1
1 547 . 2 1 1 A 57 57 GLY N N 57 110.613 111.041 -0.428 1
1 548 . 2 1 1 A 58 58 LYS H H 58 8.125 8.505 -0.380 1
1 549 . 2 1 1 A 58 58 LYS HA H 58 4.313 4.245 0.068 1
1 554 . 2 1 1 A 58 58 LYS C C 58 176.220 175.733 0.487 1
1 555 . 2 1 1 A 58 58 LYS CA C 58 57.524 58.074 -0.550 1
1 556 . 2 1 1 A 58 58 LYS CB C 58 33.485 32.667 0.818 1
1 560 . 2 1 1 A 58 58 LYS N N 58 120.526 117.419 3.107 1
1 561 . 2 1 1 A 59 59 LYS H H 59 8.227 8.661 -0.434 1
1 562 . 2 1 1 A 59 59 LYS HA H 59 4.202 4.112 0.090 1
1 567 . 2 1 1 A 59 59 LYS C C 59 177.075 176.529 0.546 1
1 568 . 2 1 1 A 59 59 LYS CA C 59 58.240 58.480 -0.240 1
1 569 . 2 1 1 A 59 59 LYS CB C 59 33.354 31.277 2.077 1
1 573 . 2 1 1 A 59 59 LYS N N 59 121.098 118.563 2.535 1
1 574 . 2 1 1 A 60 60 GLY H H 60 8.337 8.648 -0.311 1
1 575 . 2 1 1 A 60 60 GLY HA2 H 60 4.047 3.977 0.070 1
1 576 . 2 1 1 A 60 60 GLY C C 60 174.631 174.077 0.554 1
1 577 . 2 1 1 A 60 60 GLY CA C 60 46.282 45.298 0.984 1
1 578 . 2 1 1 A 60 60 GLY N N 60 109.436 110.209 -0.773 1
1 579 . 2 1 1 A 61 61 THR H H 61 7.947 7.952 -0.005 1
1 580 . 2 1 1 A 61 61 THR HA H 61 4.396 4.529 -0.133 1
1 585 . 2 1 1 A 61 61 THR C C 61 174.470 176.264 -1.794 1
1 586 . 2 1 1 A 61 61 THR CA C 61 62.795 63.249 -0.454 1
1 587 . 2 1 1 A 61 61 THR CB C 61 70.637 70.816 -0.179 1
1 589 . 2 1 1 A 61 61 THR N N 61 112.095 115.365 -3.270 1
1 590 . 2 1 1 A 62 62 VAL H H 62 7.788 7.900 -0.112 1
1 591 . 2 1 1 A 62 62 VAL HA H 62 4.243 4.409 -0.166 1
1 596 . 2 1 1 A 62 62 VAL CA C 62 62.733 63.458 -0.725 1
1 597 . 2 1 1 A 62 62 VAL CB C 62 33.693 33.777 -0.084 1
1 599 . 2 1 1 A 62 62 VAL N N 62 120.973 120.289 0.684 1
1 600 . 2 1 1 A 63 63 SER H H 63 8.052 8.065 -0.013 1
1 601 . 2 1 1 A 63 63 SER HA H 63 4.665 4.234 0.431 1
1 604 . 2 1 1 A 63 63 SER CA C 63 57.747 61.321 -3.574 1
1 605 . 2 1 1 A 63 63 SER CB C 63 64.991 63.246 1.745 1
1 606 . 2 1 1 A 63 63 SER N N 63 119.427 116.262 3.165 1
1 607 . 2 1 1 A 64 64 ILE H H 64 8.191 7.489 0.702 1
1 608 . 2 1 1 A 64 64 ILE HA H 64 4.313 4.911 -0.598 1
1 617 . 2 1 1 A 64 64 ILE CA C 64 59.873 57.276 2.597 1
1 618 . 2 1 1 A 64 64 ILE CB C 64 38.818 40.111 -1.293 1
1 621 . 2 1 1 A 64 64 ILE N N 64 122.947 116.375 6.572 1
1 622 . 2 1 1 A 65 65 PRO HA H 65 4.466 4.695 -0.229 1
1 628 . 2 1 1 A 65 65 PRO CA C 65 64.303 62.124 2.179 1
1 629 . 2 1 1 A 65 65 PRO CB C 65 32.672 29.076 3.596 1
1 632 . 2 1 1 A 66 66 SER H H 66 8.002 8.454 -0.452 1
1 633 . 2 1 1 A 66 66 SER HA H 66 4.498 4.159 0.339 1
1 635 . 2 1 1 A 66 66 SER CA C 66 58.702 61.545 -2.843 1
1 636 . 2 1 1 A 66 66 SER CB C 66 64.819 62.763 2.056 1
1 637 . 2 1 1 A 66 66 SER N N 66 112.889 119.368 -6.479 1
1 638 . 2 1 1 A 67 67 LYS H H 67 8.137 7.621 0.516 1
1 639 . 2 1 1 A 67 67 LYS HA H 67 4.347 4.523 -0.176 1
1 641 . 2 1 1 A 67 67 LYS C C 67 176.555 175.956 0.599 1
1 642 . 2 1 1 A 67 67 LYS CA C 67 57.061 55.202 1.859 1
1 643 . 2 1 1 A 67 67 LYS CB C 67 33.669 33.154 0.515 1
1 647 . 2 1 1 A 67 67 LYS N N 67 122.114 119.375 2.739 1
1 648 . 2 1 1 A 68 68 LYS H H 68 8.118 8.193 -0.075 1
1 649 . 2 1 1 A 68 68 LYS HA H 68 4.322 4.074 0.248 1
1 651 . 2 1 1 A 68 68 LYS C C 68 176.446 177.756 -1.310 1
1 652 . 2 1 1 A 68 68 LYS CA C 68 57.043 58.389 -1.346 1
1 653 . 2 1 1 A 68 68 LYS CB C 68 33.531 31.244 2.287 1
1 657 . 2 1 1 A 68 68 LYS N N 68 121.435 117.210 4.225 1
1 658 . 2 1 1 A 69 69 LYS H H 69 8.394 8.670 -0.276 1
1 659 . 2 1 1 A 69 69 LYS HA H 69 4.351 3.949 0.402 1
1 663 . 2 1 1 A 69 69 LYS C C 69 175.623 176.598 -0.975 1
1 664 . 2 1 1 A 69 69 LYS CA C 69 56.762 59.438 -2.676 1
1 665 . 2 1 1 A 69 69 LYS CB C 69 33.782 32.537 1.245 1
1 669 . 2 1 1 A 69 69 LYS N N 69 121.052 122.217 -1.165 1
1 670 . 2 1 1 A 70 70 ASN H H 70 8.014 8.053 -0.039 1
1 671 . 2 1 1 A 70 70 ASN HA H 70 4.515 4.305 0.210 1
1 675 . 2 1 1 A 70 70 ASN CA C 70 55.331 54.493 0.838 1
1 676 . 2 1 1 A 70 70 ASN CB C 70 41.478 36.643 4.835 1
1 677 . 2 1 1 A 70 70 ASN N N 70 125.005 115.116 9.889 1
1 679 . 2 1 1 A 71 71 GLY H H 71 8.255 7.767 0.488 1
1 680 . 2 1 1 A 71 71 GLY HA2 H 71 3.986 4.130 -0.144 1
1 681 . 2 1 1 A 71 71 GLY C C 71 174.458 173.356 1.102 1
1 682 . 2 1 1 A 71 71 GLY CA C 71 46.110 45.661 0.449 1
1 683 . 2 1 1 A 71 71 GLY N N 71 114.247 105.500 8.747 1
1 684 . 2 1 1 A 72 72 ASN H H 72 8.462 8.846 -0.384 1
1 685 . 2 1 1 A 72 72 ASN HA H 72 4.796 4.982 -0.186 1
1 689 . 2 1 1 A 72 72 ASN C C 72 175.757 174.123 1.634 1
1 690 . 2 1 1 A 72 72 ASN CA C 72 53.882 52.522 1.360 1
1 691 . 2 1 1 A 72 72 ASN CB C 72 39.885 39.382 0.503 1
1 692 . 2 1 1 A 72 72 ASN N N 72 118.314 121.783 -3.469 1
1 694 . 2 1 1 A 73 73 GLY H H 73 8.469 7.227 1.242 1
1 695 . 2 1 1 A 73 73 GLY HA2 H 73 3.968 4.040 -0.072 1
1 696 . 2 1 1 A 73 73 GLY C C 73 174.791 173.045 1.746 1
1 697 . 2 1 1 A 73 73 GLY CA C 73 46.247 44.475 1.772 1
1 698 . 2 1 1 A 73 73 GLY N N 73 109.019 107.483 1.536 1
1 699 . 2 1 1 A 74 74 GLY H H 74 7.946 8.639 -0.693 1
1 700 . 2 1 1 A 74 74 GLY HA2 H 74 4.112 4.121 -0.009 1
1 701 . 2 1 1 A 74 74 GLY HA3 H 74 4.177 4.139 0.038 1
1 702 . 2 1 1 A 74 74 GLY C C 74 175.399 175.034 0.365 1
1 703 . 2 1 1 A 74 74 GLY CA C 74 45.825 45.781 0.044 1
1 704 . 2 1 1 A 74 74 GLY N N 74 108.672 107.715 0.957 1
1 705 . 2 1 1 A 75 75 VAL H H 75 8.168 8.730 -0.562 1
1 706 . 2 1 1 A 75 75 VAL HA H 75 3.881 3.734 0.147 1
1 714 . 2 1 1 A 75 75 VAL C C 75 176.466 176.160 0.306 1
1 715 . 2 1 1 A 75 75 VAL CA C 75 64.845 64.919 -0.074 1
1 716 . 2 1 1 A 75 75 VAL CB C 75 32.811 32.226 0.585 1
1 719 . 2 1 1 A 75 75 VAL N N 75 119.832 122.713 -2.881 1
1 720 . 2 1 1 A 76 76 PHE H H 76 8.138 7.928 0.210 1
1 721 . 2 1 1 A 76 76 PHE HA H 76 4.664 5.146 -0.482 1
1 729 . 2 1 1 A 76 76 PHE C C 76 176.775 175.623 1.152 1
1 730 . 2 1 1 A 76 76 PHE CA C 76 58.810 56.214 2.596 1
1 731 . 2 1 1 A 76 76 PHE CB C 76 39.177 42.629 -3.452 1
1 732 . 2 1 1 A 76 76 PHE N N 76 118.007 116.406 1.601 1
1 733 . 2 1 1 A 77 77 GLY H H 77 8.080 8.721 -0.641 1
1 734 . 2 1 1 A 77 77 GLY HA2 H 77 3.948 4.084 -0.136 1
1 735 . 2 1 1 A 77 77 GLY C C 77 175.581 174.520 1.061 1
1 736 . 2 1 1 A 77 77 GLY CA C 77 47.292 46.630 0.662 1
1 737 . 2 1 1 A 77 77 GLY N N 77 107.115 110.625 -3.510 1
1 738 . 2 1 1 A 78 78 GLY H H 78 8.136 7.658 0.478 1
1 739 . 2 1 1 A 78 78 GLY HA2 H 78 4.011 4.165 -0.154 1
1 740 . 2 1 1 A 78 78 GLY C C 78 175.337 175.416 -0.079 1
1 741 . 2 1 1 A 78 78 GLY CA C 78 46.315 45.627 0.688 1
1 742 . 2 1 1 A 78 78 GLY N N 78 108.462 106.723 1.739 1
1 743 . 2 1 1 A 79 79 LEU H H 79 7.641 7.745 -0.104 1
1 744 . 2 1 1 A 79 79 LEU HA H 79 4.022 4.340 -0.318 1
1 753 . 2 1 1 A 79 79 LEU C C 79 177.256 177.714 -0.458 1
1 754 . 2 1 1 A 79 79 LEU CA C 79 57.813 55.641 2.172 1
1 755 . 2 1 1 A 79 79 LEU CB C 79 43.316 42.678 0.638 1
1 759 . 2 1 1 A 79 79 LEU N N 79 121.664 118.215 3.449 1
1 760 . 2 1 1 A 80 80 PHE H H 80 7.944 7.952 -0.008 1
1 761 . 2 1 1 A 80 80 PHE HA H 80 4.633 4.649 -0.016 1
1 768 . 2 1 1 A 80 80 PHE C C 80 175.433 176.224 -0.791 1
1 769 . 2 1 1 A 80 80 PHE CA C 80 58.208 57.949 0.259 1
1 770 . 2 1 1 A 80 80 PHE CB C 80 39.615 38.561 1.054 1
1 771 . 2 1 1 A 80 80 PHE N N 80 114.796 116.481 -1.685 1
1 772 . 2 1 1 A 81 81 ALA H H 81 7.611 7.763 -0.152 1
1 773 . 2 1 1 A 81 81 ALA HA H 81 4.364 4.255 0.109 1
1 777 . 2 1 1 A 81 81 ALA C C 81 177.568 177.090 0.478 1
1 778 . 2 1 1 A 81 81 ALA CA C 81 52.989 54.262 -1.273 1
1 779 . 2 1 1 A 81 81 ALA CB C 81 19.902 19.484 0.418 1
1 780 . 2 1 1 A 81 81 ALA N N 81 122.618 121.396 1.222 1
1 781 . 2 1 1 A 82 82 LYS H H 82 8.155 7.613 0.542 1
1 782 . 2 1 1 A 82 82 LYS HA H 82 4.313 4.620 -0.307 1
1 784 . 2 1 1 A 82 82 LYS C C 82 176.941 175.000 1.941 1
1 785 . 2 1 1 A 82 82 LYS CA C 82 57.023 55.578 1.445 1
1 786 . 2 1 1 A 82 82 LYS CB C 82 33.299 35.873 -2.574 1
1 789 . 2 1 1 A 82 82 LYS N N 82 120.345 115.864 4.481 1
1 790 . 2 1 1 A 83 83 LYS H H 83 8.256 8.702 -0.446 1
1 791 . 2 1 1 A 83 83 LYS HA H 83 4.378 3.736 0.642 1
1 794 . 2 1 1 A 83 83 LYS CA C 83 56.618 56.997 -0.379 1
1 795 . 2 1 1 A 83 83 LYS CB C 83 33.767 30.804 2.963 1
1 799 . 2 1 1 A 83 83 LYS N N 83 122.901 119.883 3.018 1
1 6 . 3 1 1 A 2 2 ALA H H 2 8.448 7.508 0.940 1
1 7 . 3 1 1 A 2 2 ALA HA H 2 4.314 4.431 -0.117 1
1 11 . 3 1 1 A 2 2 ALA C C 2 177.731 174.860 2.871 1
1 12 . 3 1 1 A 2 2 ALA CA C 2 53.711 51.366 2.345 1
1 13 . 3 1 1 A 2 2 ALA CB C 2 19.629 21.986 -2.357 1
1 14 . 3 1 1 A 2 2 ALA N N 2 125.995 119.384 6.611 1
1 15 . 3 1 1 A 3 3 ALA H H 3 8.148 8.795 -0.647 1
1 16 . 3 1 1 A 3 3 ALA HA H 3 4.292 5.191 -0.899 1
1 20 . 3 1 1 A 3 3 ALA C C 3 177.888 176.597 1.291 1
1 21 . 3 1 1 A 3 3 ALA CA C 3 53.439 49.982 3.457 1
1 22 . 3 1 1 A 3 3 ALA CB C 3 19.671 21.130 -1.459 1
1 23 . 3 1 1 A 3 3 ALA N N 3 121.767 120.866 0.901 1
1 24 . 3 1 1 A 4 4 LYS H H 4 8.047 9.102 -1.055 1
1 25 . 3 1 1 A 4 4 LYS HA H 4 4.314 4.600 -0.286 1
1 27 . 3 1 1 A 4 4 LYS C C 4 177.363 176.096 1.267 1
1 28 . 3 1 1 A 4 4 LYS CA C 4 57.279 55.650 1.629 1
1 29 . 3 1 1 A 4 4 LYS CB C 4 33.570 31.255 2.315 1
1 33 . 3 1 1 A 4 4 LYS N N 4 119.233 123.610 -4.377 1
1 34 . 3 1 1 A 5 5 GLY H H 5 8.317 8.098 0.219 1
1 35 . 3 1 1 A 5 5 GLY HA2 H 5 4.039 4.187 -0.148 1
1 36 . 3 1 1 A 5 5 GLY C C 5 174.706 175.130 -0.424 1
1 37 . 3 1 1 A 5 5 GLY CA C 5 46.246 45.710 0.536 1
1 38 . 3 1 1 A 5 5 GLY N N 5 109.070 109.479 -0.409 1
1 39 . 3 1 1 A 6 6 THR H H 6 8.002 7.693 0.309 1
1 40 . 3 1 1 A 6 6 THR HA H 6 4.357 4.155 0.202 1
1 42 . 3 1 1 A 6 6 THR C C 6 174.839 176.377 -1.538 1
1 43 . 3 1 1 A 6 6 THR CA C 6 62.444 65.174 -2.730 1
1 44 . 3 1 1 A 6 6 THR CB C 6 70.490 68.554 1.936 1
1 46 . 3 1 1 A 6 6 THR N N 6 112.809 113.095 -0.286 1
1 47 . 3 1 1 A 7 7 ALA H H 7 8.309 7.809 0.500 1
1 48 . 3 1 1 A 7 7 ALA HA H 7 4.322 4.059 0.263 1
1 52 . 3 1 1 A 7 7 ALA C C 7 178.032 178.915 -0.883 1
1 53 . 3 1 1 A 7 7 ALA CA C 7 53.792 55.485 -1.693 1
1 54 . 3 1 1 A 7 7 ALA CB C 7 19.733 18.755 0.978 1
1 55 . 3 1 1 A 7 7 ALA N N 7 125.292 123.558 1.734 1
1 56 . 3 1 1 A 8 8 GLU H H 8 8.358 7.828 0.530 1
1 57 . 3 1 1 A 8 8 GLU HA H 8 4.297 4.507 -0.210 1
1 59 . 3 1 1 A 8 8 GLU C C 8 176.936 176.158 0.778 1
1 60 . 3 1 1 A 8 8 GLU CA C 8 57.618 57.361 0.257 1
1 61 . 3 1 1 A 8 8 GLU CB C 8 30.792 32.344 -1.552 1
1 63 . 3 1 1 A 8 8 GLU N N 8 118.943 114.827 4.116 1
1 64 . 3 1 1 A 9 9 THR H H 9 7.974 8.098 -0.124 1
1 65 . 3 1 1 A 9 9 THR HA H 9 4.365 3.957 0.408 1
1 67 . 3 1 1 A 9 9 THR C C 9 174.629 173.213 1.416 1
1 68 . 3 1 1 A 9 9 THR CA C 9 62.617 62.047 0.570 1
1 69 . 3 1 1 A 9 9 THR CB C 9 70.422 67.352 3.070 1
1 71 . 3 1 1 A 9 9 THR N N 9 113.540 111.762 1.778 1
1 72 . 3 1 1 A 10 10 LYS H H 10 8.242 8.065 0.177 1
1 73 . 3 1 1 A 10 10 LYS HA H 10 4.314 4.697 -0.383 1
1 75 . 3 1 1 A 10 10 LYS C C 10 176.513 176.369 0.144 1
1 76 . 3 1 1 A 10 10 LYS CA C 10 57.173 54.993 2.180 1
1 77 . 3 1 1 A 10 10 LYS CB C 10 33.511 34.334 -0.823 1
1 81 . 3 1 1 A 10 10 LYS N N 10 123.339 120.947 2.392 1
1 82 . 3 1 1 A 11 11 GLN H H 11 8.381 8.691 -0.310 1
1 83 . 3 1 1 A 11 11 GLN HA H 11 4.322 4.119 0.203 1
1 89 . 3 1 1 A 11 11 GLN C C 11 176.073 173.959 2.114 1
1 90 . 3 1 1 A 11 11 GLN CA C 11 56.689 58.035 -1.346 1
1 91 . 3 1 1 A 11 11 GLN CB C 11 29.940 27.580 2.360 1
1 93 . 3 1 1 A 11 11 GLN N N 11 120.885 117.897 2.988 1
1 95 . 3 1 1 A 12 12 GLU H H 12 8.407 9.063 -0.656 1
1 96 . 3 1 1 A 12 12 GLU HA H 12 4.304 5.246 -0.942 1
1 98 . 3 1 1 A 12 12 GLU C C 12 176.253 175.313 0.940 1
1 99 . 3 1 1 A 12 12 GLU CA C 12 57.536 55.191 2.345 1
1 100 . 3 1 1 A 12 12 GLU CB C 12 30.799 32.085 -1.286 1
1 102 . 3 1 1 A 12 12 GLU N N 12 121.152 120.438 0.714 1
1 103 . 3 1 1 A 13 13 LYS H H 13 8.220 8.755 -0.535 1
1 104 . 3 1 1 A 13 13 LYS HA H 13 4.542 4.753 -0.211 1
1 108 . 3 1 1 A 13 13 LYS C C 13 175.856 176.082 -0.226 1
1 109 . 3 1 1 A 13 13 LYS CA C 13 56.335 55.660 0.675 1
1 110 . 3 1 1 A 13 13 LYS CB C 13 33.863 33.054 0.809 1
1 114 . 3 1 1 A 13 13 LYS N N 13 121.312 118.881 2.431 1
1 115 . 3 1 1 A 14 14 SER H H 14 8.447 7.533 0.914 1
1 116 . 3 1 1 A 14 14 SER HA H 14 4.639 4.756 -0.117 1
1 119 . 3 1 1 A 14 14 SER C C 14 175.529 175.670 -0.141 1
1 120 . 3 1 1 A 14 14 SER CA C 14 58.802 57.228 1.574 1
1 121 . 3 1 1 A 14 14 SER CB C 14 64.803 65.202 -0.399 1
1 122 . 3 1 1 A 14 14 SER N N 14 116.487 115.012 1.475 1
1 123 . 3 1 1 A 15 15 PHE H H 15 8.802 9.264 -0.462 1
1 124 . 3 1 1 A 15 15 PHE HA H 15 4.448 4.240 0.208 1
1 129 . 3 1 1 A 15 15 PHE C C 15 176.935 177.587 -0.652 1
1 130 . 3 1 1 A 15 15 PHE CA C 15 62.188 60.614 1.574 1
1 131 . 3 1 1 A 15 15 PHE CB C 15 39.721 38.075 1.646 1
1 132 . 3 1 1 A 15 15 PHE N N 15 124.339 123.176 1.163 1
1 133 . 3 1 1 A 16 16 VAL H H 16 8.025 7.388 0.637 1
1 134 . 3 1 1 A 16 16 VAL HA H 16 3.490 3.458 0.032 1
1 142 . 3 1 1 A 16 16 VAL C C 16 177.123 177.230 -0.107 1
1 143 . 3 1 1 A 16 16 VAL CA C 16 67.959 64.598 3.361 1
1 144 . 3 1 1 A 16 16 VAL CB C 16 32.250 30.713 1.537 1
1 147 . 3 1 1 A 16 16 VAL N N 16 118.329 120.930 -2.601 1
1 148 . 3 1 1 A 17 17 ASP H H 17 7.926 7.970 -0.044 1
1 149 . 3 1 1 A 17 17 ASP HA H 17 4.354 4.300 0.054 1
1 152 . 3 1 1 A 17 17 ASP C C 17 179.625 178.200 1.425 1
1 153 . 3 1 1 A 17 17 ASP CA C 17 58.204 57.204 1.000 1
1 154 . 3 1 1 A 17 17 ASP CB C 17 41.324 41.224 0.100 1
1 155 . 3 1 1 A 17 17 ASP N N 17 118.753 121.051 -2.298 1
1 156 . 3 1 1 A 18 18 TRP H H 18 8.174 7.879 0.295 1
1 157 . 3 1 1 A 18 18 TRP HA H 18 4.111 4.367 -0.256 1
1 163 . 3 1 1 A 18 18 TRP CA C 18 62.194 60.785 1.409 1
1 164 . 3 1 1 A 18 18 TRP CB C 18 29.150 29.617 -0.467 1
1 165 . 3 1 1 A 18 18 TRP N N 18 122.311 121.583 0.728 1
1 167 . 3 1 1 A 19 19 LEU H H 19 8.517 8.899 -0.382 1
1 168 . 3 1 1 A 19 19 LEU HA H 19 3.447 4.153 -0.706 1
1 178 . 3 1 1 A 19 19 LEU C C 19 179.115 179.136 -0.021 1
1 179 . 3 1 1 A 19 19 LEU CA C 19 58.630 58.478 0.152 1
1 180 . 3 1 1 A 19 19 LEU CB C 19 42.676 42.063 0.613 1
1 184 . 3 1 1 A 19 19 LEU N N 19 120.943 121.333 -0.390 1
1 185 . 3 1 1 A 20 20 LEU H H 20 8.713 8.626 0.087 1
1 186 . 3 1 1 A 20 20 LEU HA H 20 3.972 4.032 -0.060 1
1 196 . 3 1 1 A 20 20 LEU C C 20 180.266 178.837 1.429 1
1 197 . 3 1 1 A 20 20 LEU CA C 20 58.318 57.713 0.605 1
1 198 . 3 1 1 A 20 20 LEU CB C 20 41.655 41.678 -0.023 1
1 202 . 3 1 1 A 20 20 LEU N N 20 117.598 119.433 -1.835 1
1 203 . 3 1 1 A 21 21 GLY H H 21 7.783 8.325 -0.542 1
1 204 . 3 1 1 A 21 21 GLY HA2 H 21 3.829 3.672 0.157 1
1 205 . 3 1 1 A 21 21 GLY C C 21 175.390 175.318 0.072 1
1 206 . 3 1 1 A 21 21 GLY CA C 21 46.978 46.576 0.402 1
1 207 . 3 1 1 A 21 21 GLY N N 21 106.102 107.131 -1.029 1
1 208 . 3 1 1 A 22 22 LYS H H 22 7.443 7.998 -0.555 1
1 209 . 3 1 1 A 22 22 LYS HA H 22 4.090 4.125 -0.035 1
1 217 . 3 1 1 A 22 22 LYS C C 22 177.806 178.203 -0.397 1
1 218 . 3 1 1 A 22 22 LYS CA C 22 56.974 59.125 -2.151 1
1 219 . 3 1 1 A 22 22 LYS CB C 22 32.718 32.338 0.380 1
1 223 . 3 1 1 A 22 22 LYS N N 22 118.883 120.919 -2.036 1
1 224 . 3 1 1 A 23 23 ILE H H 23 7.550 7.644 -0.094 1
1 225 . 3 1 1 A 23 23 ILE HA H 23 4.165 4.065 0.100 1
1 235 . 3 1 1 A 23 23 ILE C C 23 175.996 176.917 -0.921 1
1 236 . 3 1 1 A 23 23 ILE CA C 23 62.916 62.888 0.028 1
1 237 . 3 1 1 A 23 23 ILE CB C 23 39.444 38.648 0.796 1
1 241 . 3 1 1 A 23 23 ILE N N 23 114.457 118.337 -3.880 1
1 242 . 3 1 1 A 24 24 THR H H 24 7.778 7.344 0.434 1
1 243 . 3 1 1 A 24 24 THR HA H 24 4.379 4.645 -0.266 1
1 248 . 3 1 1 A 24 24 THR C C 24 174.616 173.986 0.630 1
1 249 . 3 1 1 A 24 24 THR CA C 24 62.699 60.906 1.793 1
1 250 . 3 1 1 A 24 24 THR CB C 24 70.567 68.665 1.902 1
1 252 . 3 1 1 A 24 24 THR N N 24 113.224 111.759 1.465 1
1 253 . 3 1 1 A 25 25 LYS H H 25 7.956 7.315 0.641 1
1 259 . 3 1 1 A 25 25 LYS CA C 25 56.696 56.362 0.334 1
1 260 . 3 1 1 A 25 25 LYS CB C 25 33.428 33.114 0.314 1
1 262 . 3 1 1 A 25 25 LYS N N 25 122.468 120.690 1.778 1
1 263 . 3 1 1 A 26 26 GLU H H 26 8.392 8.901 -0.509 1
1 264 . 3 1 1 A 26 26 GLU HA H 26 4.230 3.898 0.332 1
1 268 . 3 1 1 A 26 26 GLU C C 26 176.320 175.334 0.986 1
1 269 . 3 1 1 A 26 26 GLU CA C 26 57.616 57.477 0.139 1
1 270 . 3 1 1 A 26 26 GLU CB C 26 30.854 28.887 1.967 1
1 272 . 3 1 1 A 26 26 GLU N N 26 121.068 119.590 1.478 1
1 273 . 3 1 1 A 27 27 ASP H H 27 8.299 7.807 0.492 1
1 274 . 3 1 1 A 27 27 ASP HA H 27 4.496 4.589 -0.093 1
1 276 . 3 1 1 A 27 27 ASP C C 27 175.931 176.647 -0.716 1
1 277 . 3 1 1 A 27 27 ASP CA C 27 55.161 54.267 0.894 1
1 278 . 3 1 1 A 27 27 ASP CB C 27 41.532 42.017 -0.485 1
1 279 . 3 1 1 A 27 27 ASP N N 27 119.412 120.015 -0.603 1
1 280 . 3 1 1 A 28 28 GLN H H 28 8.108 8.793 -0.685 1
1 281 . 3 1 1 A 28 28 GLN HA H 28 4.215 4.183 0.032 1
1 286 . 3 1 1 A 28 28 GLN C C 28 175.845 175.645 0.200 1
1 287 . 3 1 1 A 28 28 GLN CA C 28 56.559 58.096 -1.537 1
1 288 . 3 1 1 A 28 28 GLN CB C 28 30.105 27.467 2.638 1
1 290 . 3 1 1 A 28 28 GLN N N 28 119.037 117.601 1.436 1
1 292 . 3 1 1 A 29 29 PHE H H 29 8.235 8.485 -0.250 1
1 293 . 3 1 1 A 29 29 PHE HA H 29 4.514 4.748 -0.234 1
1 299 . 3 1 1 A 29 29 PHE C C 29 175.361 175.849 -0.488 1
1 300 . 3 1 1 A 29 29 PHE CA C 29 58.810 57.324 1.486 1
1 301 . 3 1 1 A 29 29 PHE CB C 29 40.000 40.533 -0.533 1
1 302 . 3 1 1 A 29 29 PHE N N 29 120.622 119.014 1.608 1
1 303 . 3 1 1 A 30 30 TYR H H 30 7.715 7.374 0.341 1
1 304 . 3 1 1 A 30 30 TYR HA H 30 4.508 4.128 0.380 1
1 310 . 3 1 1 A 30 30 TYR C C 30 175.416 175.861 -0.445 1
1 311 . 3 1 1 A 30 30 TYR CA C 30 58.544 57.591 0.953 1
1 312 . 3 1 1 A 30 30 TYR CB C 30 39.613 39.398 0.215 1
1 313 . 3 1 1 A 30 30 TYR N N 30 119.864 120.986 -1.122 1
1 314 . 3 1 1 A 31 31 GLU H H 31 8.187 8.588 -0.401 1
1 315 . 3 1 1 A 31 31 GLU HA H 31 4.293 4.255 0.038 1
1 319 . 3 1 1 A 31 31 GLU C C 31 176.148 175.957 0.191 1
1 320 . 3 1 1 A 31 31 GLU CA C 31 57.172 55.160 2.012 1
1 321 . 3 1 1 A 31 31 GLU CB C 31 30.845 30.074 0.771 1
1 323 . 3 1 1 A 31 31 GLU N N 31 121.546 117.586 3.960 1
1 324 . 3 1 1 A 32 32 THR H H 32 7.864 8.006 -0.142 1
1 325 . 3 1 1 A 32 32 THR HA H 32 4.359 3.941 0.418 1
1 330 . 3 1 1 A 32 32 THR C C 32 173.970 172.669 1.301 1
1 331 . 3 1 1 A 32 32 THR CA C 32 62.043 62.487 -0.444 1
1 332 . 3 1 1 A 32 32 THR CB C 32 70.721 66.809 3.912 1
1 334 . 3 1 1 A 32 32 THR N N 32 113.695 110.791 2.904 1
1 335 . 3 1 1 A 33 33 ASP H H 33 8.317 7.904 0.413 1
1 336 . 3 1 1 A 33 33 ASP HA H 33 4.880 5.198 -0.318 1
1 339 . 3 1 1 A 33 33 ASP CA C 33 53.661 51.307 2.354 1
1 340 . 3 1 1 A 33 33 ASP CB C 33 41.474 41.098 0.376 1
1 341 . 3 1 1 A 33 33 ASP N N 33 123.601 120.716 2.885 1
1 342 . 3 1 1 A 34 34 PRO HA H 34 4.408 4.742 -0.334 1
1 348 . 3 1 1 A 34 34 PRO C C 34 174.420 176.221 -1.801 1
1 349 . 3 1 1 A 34 34 PRO CA C 34 64.164 62.627 1.537 1
1 350 . 3 1 1 A 34 34 PRO CB C 34 32.774 31.776 0.998 1
1 353 . 3 1 1 A 35 35 ILE H H 35 8.143 8.252 -0.109 1
1 354 . 3 1 1 A 35 35 ILE HA H 35 4.046 5.100 -1.054 1
1 364 . 3 1 1 A 35 35 ILE C C 35 176.474 174.923 1.551 1
1 365 . 3 1 1 A 35 35 ILE CA C 35 62.937 59.031 3.906 1
1 366 . 3 1 1 A 35 35 ILE CB C 35 39.275 42.447 -3.172 1
1 370 . 3 1 1 A 35 35 ILE N N 35 120.322 117.561 2.761 1
1 371 . 3 1 1 A 36 36 LEU H H 36 7.975 8.531 -0.556 1
1 372 . 3 1 1 A 36 36 LEU HA H 36 4.398 4.505 -0.107 1
1 381 . 3 1 1 A 36 36 LEU C C 36 177.299 177.943 -0.644 1
1 382 . 3 1 1 A 36 36 LEU CA C 36 56.022 56.089 -0.067 1
1 383 . 3 1 1 A 36 36 LEU CB C 36 42.837 43.320 -0.483 1
1 387 . 3 1 1 A 36 36 LEU N N 36 121.023 120.795 0.228 1
1 388 . 3 1 1 A 37 37 ARG H H 37 7.932 8.194 -0.262 1
1 389 . 3 1 1 A 37 37 ARG HA H 37 4.345 4.437 -0.092 1
1 395 . 3 1 1 A 37 37 ARG C C 37 176.869 176.407 0.462 1
1 396 . 3 1 1 A 37 37 ARG CA C 37 56.912 56.105 0.807 1
1 397 . 3 1 1 A 37 37 ARG CB C 37 31.127 32.218 -1.091 1
1 400 . 3 1 1 A 37 37 ARG N N 37 118.673 116.013 2.660 1
1 402 . 3 1 1 A 38 38 GLY H H 38 8.271 7.567 0.704 1
1 403 . 3 1 1 A 38 38 GLY HA2 H 38 3.986 4.060 -0.074 1
1 404 . 3 1 1 A 38 38 GLY C C 38 174.864 174.722 0.142 1
1 405 . 3 1 1 A 38 38 GLY CA C 38 46.258 45.206 1.052 1
1 406 . 3 1 1 A 38 38 GLY N N 38 108.377 108.412 -0.035 1
1 407 . 3 1 1 A 39 39 GLY H H 39 8.218 8.767 -0.549 1
1 408 . 3 1 1 A 39 39 GLY HA2 H 39 3.998 3.831 0.167 1
1 409 . 3 1 1 A 39 39 GLY C C 39 174.158 174.234 -0.076 1
1 410 . 3 1 1 A 39 39 GLY CA C 39 46.187 46.713 -0.526 1
1 411 . 3 1 1 A 39 39 GLY N N 39 108.485 108.370 0.115 1
1 412 . 3 1 1 A 40 40 ASP H H 40 8.274 8.723 -0.449 1
1 413 . 3 1 1 A 40 40 ASP HA H 40 4.699 4.875 -0.176 1
1 415 . 3 1 1 A 40 40 ASP C C 40 176.791 176.753 0.038 1
1 416 . 3 1 1 A 40 40 ASP CA C 40 55.105 55.153 -0.048 1
1 417 . 3 1 1 A 40 40 ASP CB C 40 41.715 43.562 -1.847 1
1 418 . 3 1 1 A 40 40 ASP N N 40 120.261 124.361 -4.100 1
1 419 . 3 1 1 A 41 41 VAL H H 41 8.071 8.246 -0.175 1
1 420 . 3 1 1 A 41 41 VAL HA H 41 3.993 4.030 -0.037 1
1 425 . 3 1 1 A 41 41 VAL C C 41 176.869 175.848 1.021 1
1 426 . 3 1 1 A 41 41 VAL CA C 41 64.502 64.455 0.047 1
1 427 . 3 1 1 A 41 41 VAL CB C 41 32.773 31.989 0.784 1
1 429 . 3 1 1 A 41 41 VAL N N 41 120.111 115.510 4.601 1
1 430 . 3 1 1 A 42 42 LYS H H 42 8.213 7.567 0.646 1
1 431 . 3 1 1 A 42 42 LYS HA H 42 4.299 4.665 -0.366 1
1 434 . 3 1 1 A 42 42 LYS C C 42 177.041 175.271 1.770 1
1 435 . 3 1 1 A 42 42 LYS CA C 42 57.639 55.773 1.866 1
1 436 . 3 1 1 A 42 42 LYS CB C 42 33.227 34.978 -1.751 1
1 440 . 3 1 1 A 42 42 LYS N N 42 121.557 120.084 1.473 1
1 441 . 3 1 1 A 43 43 SER H H 43 8.126 8.994 -0.868 1
1 442 . 3 1 1 A 43 43 SER HA H 43 4.452 5.387 -0.935 1
1 444 . 3 1 1 A 43 43 SER C C 43 175.085 173.787 1.298 1
1 445 . 3 1 1 A 43 43 SER CA C 43 59.403 56.097 3.306 1
1 446 . 3 1 1 A 43 43 SER CB C 43 64.208 65.164 -0.956 1
1 447 . 3 1 1 A 43 43 SER N N 43 115.295 118.890 -3.595 1
1 448 . 3 1 1 A 44 44 SER H H 44 8.251 8.882 -0.631 1
1 449 . 3 1 1 A 44 44 SER HA H 44 4.479 4.652 -0.173 1
1 451 . 3 1 1 A 44 44 SER C C 44 175.331 174.158 1.173 1
1 452 . 3 1 1 A 44 44 SER CA C 44 59.701 59.677 0.024 1
1 453 . 3 1 1 A 44 44 SER CB C 44 64.453 65.558 -1.105 1
1 454 . 3 1 1 A 44 44 SER N N 44 117.357 118.668 -1.311 1
1 455 . 3 1 1 A 45 45 GLY H H 45 8.401 7.543 0.858 1
1 456 . 3 1 1 A 45 45 GLY HA2 H 45 4.030 4.093 -0.063 1
1 457 . 3 1 1 A 45 45 GLY C C 45 174.472 171.767 2.705 1
1 458 . 3 1 1 A 45 45 GLY CA C 45 46.258 44.235 2.023 1
1 459 . 3 1 1 A 45 45 GLY N N 45 110.523 107.597 2.926 1
1 460 . 3 1 1 A 46 46 SER H H 46 8.177 8.364 -0.187 1
1 461 . 3 1 1 A 46 46 SER HA H 46 4.536 5.330 -0.794 1
1 463 . 3 1 1 A 46 46 SER C C 46 175.206 172.997 2.209 1
1 464 . 3 1 1 A 46 46 SER CA C 46 59.244 57.687 1.557 1
1 465 . 3 1 1 A 46 46 SER CB C 46 64.484 65.373 -0.889 1
1 466 . 3 1 1 A 46 46 SER N N 46 115.297 113.214 2.083 1
1 467 . 3 1 1 A 47 47 THR H H 47 8.198 8.805 -0.607 1
1 468 . 3 1 1 A 47 47 THR HA H 47 4.432 4.540 -0.108 1
1 470 . 3 1 1 A 47 47 THR C C 47 174.939 173.471 1.468 1
1 471 . 3 1 1 A 47 47 THR CA C 47 62.746 61.377 1.369 1
1 472 . 3 1 1 A 47 47 THR CB C 47 70.246 71.483 -1.237 1
1 474 . 3 1 1 A 47 47 THR N N 47 114.635 120.218 -5.583 1
1 475 . 3 1 1 A 48 48 SER H H 48 8.228 9.273 -1.045 1
1 476 . 3 1 1 A 48 48 SER HA H 48 4.473 4.026 0.447 1
1 478 . 3 1 1 A 48 48 SER C C 48 175.241 173.526 1.715 1
1 479 . 3 1 1 A 48 48 SER CA C 48 59.480 59.214 0.266 1
1 480 . 3 1 1 A 48 48 SER CB C 48 64.429 62.043 2.386 1
1 481 . 3 1 1 A 48 48 SER N N 48 117.146 123.575 -6.429 1
1 482 . 3 1 1 A 49 49 GLY H H 49 8.342 8.289 0.053 1
1 483 . 3 1 1 A 49 49 GLY HA2 H 49 4.048 4.188 -0.140 1
1 484 . 3 1 1 A 49 49 GLY C C 49 174.776 174.614 0.162 1
1 485 . 3 1 1 A 49 49 GLY CA C 49 46.233 45.548 0.685 1
1 486 . 3 1 1 A 49 49 GLY N N 49 110.627 108.619 2.008 1
1 487 . 3 1 1 A 50 50 LYS H H 50 8.124 8.314 -0.190 1
1 488 . 3 1 1 A 50 50 LYS HA H 50 4.302 4.473 -0.171 1
1 490 . 3 1 1 A 50 50 LYS C C 50 176.932 176.091 0.841 1
1 491 . 3 1 1 A 50 50 LYS CA C 50 57.333 55.518 1.815 1
1 492 . 3 1 1 A 50 50 LYS CB C 50 33.497 32.756 0.741 1
1 496 . 3 1 1 A 50 50 LYS N N 50 120.037 122.880 -2.843 1
1 497 . 3 1 1 A 51 51 LYS H H 51 8.089 8.009 0.080 1
1 498 . 3 1 1 A 51 51 LYS HA H 51 4.325 4.256 0.069 1
1 500 . 3 1 1 A 51 51 LYS C C 51 177.169 175.777 1.392 1
1 501 . 3 1 1 A 51 51 LYS CA C 51 57.251 58.046 -0.795 1
1 502 . 3 1 1 A 51 51 LYS CB C 51 33.293 31.871 1.422 1
1 506 . 3 1 1 A 51 51 LYS N N 51 120.805 120.171 0.634 1
1 507 . 3 1 1 A 52 52 GLY H H 52 8.304 8.660 -0.356 1
1 508 . 3 1 1 A 52 52 GLY HA2 H 52 4.005 3.924 0.081 1
1 509 . 3 1 1 A 52 52 GLY C C 52 174.545 175.089 -0.544 1
1 510 . 3 1 1 A 52 52 GLY CA C 52 46.250 47.066 -0.816 1
1 511 . 3 1 1 A 52 52 GLY N N 52 109.109 108.686 0.423 1
1 512 . 3 1 1 A 53 53 GLY H H 53 8.201 8.224 -0.023 1
1 513 . 3 1 1 A 53 53 GLY HA2 H 53 4.051 3.931 0.120 1
1 514 . 3 1 1 A 53 53 GLY C C 53 174.771 174.132 0.639 1
1 515 . 3 1 1 A 53 53 GLY CA C 53 46.204 45.611 0.593 1
1 516 . 3 1 1 A 53 53 GLY N N 53 108.474 111.735 -3.261 1
1 517 . 3 1 1 A 54 54 THR H H 54 8.115 7.947 0.168 1
1 518 . 3 1 1 A 54 54 THR HA H 54 4.442 4.205 0.237 1
1 522 . 3 1 1 A 54 54 THR C C 54 175.190 174.701 0.489 1
1 523 . 3 1 1 A 54 54 THR CA C 54 62.904 63.466 -0.562 1
1 524 . 3 1 1 A 54 54 THR CB C 54 70.261 67.496 2.765 1
1 525 . 3 1 1 A 54 54 THR N N 54 113.386 111.075 2.311 1
1 526 . 3 1 1 A 55 55 THR H H 55 8.158 8.774 -0.616 1
1 527 . 3 1 1 A 55 55 THR HA H 55 4.452 4.290 0.162 1
1 531 . 3 1 1 A 55 55 THR C C 55 175.050 175.103 -0.053 1
1 532 . 3 1 1 A 55 55 THR CA C 55 62.740 64.447 -1.707 1
1 533 . 3 1 1 A 55 55 THR CB C 55 70.171 69.496 0.675 1
1 535 . 3 1 1 A 55 55 THR N N 55 114.825 119.246 -4.421 1
1 536 . 3 1 1 A 56 56 SER H H 56 8.233 7.751 0.482 1
1 537 . 3 1 1 A 56 56 SER HA H 56 4.484 4.268 0.216 1
1 539 . 3 1 1 A 56 56 SER C C 56 175.314 175.628 -0.314 1
1 540 . 3 1 1 A 56 56 SER CA C 56 59.419 58.861 0.558 1
1 541 . 3 1 1 A 56 56 SER CB C 56 64.576 64.223 0.353 1
1 542 . 3 1 1 A 56 56 SER N N 56 117.144 116.455 0.689 1
1 543 . 3 1 1 A 57 57 GLY H H 57 8.340 8.685 -0.345 1
1 544 . 3 1 1 A 57 57 GLY HA2 H 57 4.043 3.940 0.103 1
1 545 . 3 1 1 A 57 57 GLY C C 57 176.801 174.414 2.387 1
1 546 . 3 1 1 A 57 57 GLY CA C 57 45.927 46.454 -0.527 1
1 547 . 3 1 1 A 57 57 GLY N N 57 110.613 113.242 -2.629 1
1 548 . 3 1 1 A 58 58 LYS H H 58 8.125 8.380 -0.255 1
1 549 . 3 1 1 A 58 58 LYS HA H 58 4.313 4.268 0.045 1
1 554 . 3 1 1 A 58 58 LYS C C 58 176.220 175.797 0.423 1
1 555 . 3 1 1 A 58 58 LYS CA C 58 57.524 58.354 -0.830 1
1 556 . 3 1 1 A 58 58 LYS CB C 58 33.485 31.580 1.905 1
1 560 . 3 1 1 A 58 58 LYS N N 58 120.526 112.756 7.770 1
1 561 . 3 1 1 A 59 59 LYS H H 59 8.227 8.488 -0.261 1
1 562 . 3 1 1 A 59 59 LYS HA H 59 4.202 4.513 -0.311 1
1 567 . 3 1 1 A 59 59 LYS C C 59 177.075 177.513 -0.438 1
1 568 . 3 1 1 A 59 59 LYS CA C 59 58.240 56.314 1.926 1
1 569 . 3 1 1 A 59 59 LYS CB C 59 33.354 34.705 -1.351 1
1 573 . 3 1 1 A 59 59 LYS N N 59 121.098 118.143 2.955 1
1 574 . 3 1 1 A 60 60 GLY H H 60 8.337 8.193 0.144 1
1 575 . 3 1 1 A 60 60 GLY HA2 H 60 4.047 3.984 0.063 1
1 576 . 3 1 1 A 60 60 GLY C C 60 174.631 174.954 -0.323 1
1 577 . 3 1 1 A 60 60 GLY CA C 60 46.282 45.931 0.351 1
1 578 . 3 1 1 A 60 60 GLY N N 60 109.436 109.883 -0.447 1
1 579 . 3 1 1 A 61 61 THR H H 61 7.947 7.790 0.157 1
1 580 . 3 1 1 A 61 61 THR HA H 61 4.396 4.761 -0.365 1
1 585 . 3 1 1 A 61 61 THR C C 61 174.470 174.096 0.374 1
1 586 . 3 1 1 A 61 61 THR CA C 61 62.795 60.758 2.037 1
1 587 . 3 1 1 A 61 61 THR CB C 61 70.637 69.201 1.436 1
1 589 . 3 1 1 A 61 61 THR N N 61 112.095 110.184 1.911 1
1 590 . 3 1 1 A 62 62 VAL H H 62 7.788 7.937 -0.149 1
1 591 . 3 1 1 A 62 62 VAL HA H 62 4.243 4.398 -0.155 1
1 596 . 3 1 1 A 62 62 VAL CA C 62 62.733 62.990 -0.257 1
1 597 . 3 1 1 A 62 62 VAL CB C 62 33.693 34.529 -0.836 1
1 599 . 3 1 1 A 62 62 VAL N N 62 120.973 121.434 -0.461 1
1 600 . 3 1 1 A 63 63 SER H H 63 8.052 8.431 -0.379 1
1 601 . 3 1 1 A 63 63 SER HA H 63 4.665 4.221 0.444 1
1 604 . 3 1 1 A 63 63 SER CA C 63 57.747 62.164 -4.417 1
1 605 . 3 1 1 A 63 63 SER CB C 63 64.991 63.075 1.916 1
1 606 . 3 1 1 A 63 63 SER N N 63 119.427 117.261 2.166 1
1 607 . 3 1 1 A 64 64 ILE H H 64 8.191 7.393 0.798 1
1 608 . 3 1 1 A 64 64 ILE HA H 64 4.313 4.323 -0.010 1
1 617 . 3 1 1 A 64 64 ILE CA C 64 59.873 60.244 -0.371 1
1 618 . 3 1 1 A 64 64 ILE CB C 64 38.818 37.471 1.347 1
1 621 . 3 1 1 A 64 64 ILE N N 64 122.947 118.819 4.128 1
1 622 . 3 1 1 A 65 65 PRO HA H 65 4.466 4.301 0.165 1
1 628 . 3 1 1 A 65 65 PRO CA C 65 64.303 64.594 -0.291 1
1 629 . 3 1 1 A 65 65 PRO CB C 65 32.672 31.873 0.799 1
1 632 . 3 1 1 A 66 66 SER H H 66 8.002 8.031 -0.029 1
1 633 . 3 1 1 A 66 66 SER HA H 66 4.498 4.155 0.343 1
1 635 . 3 1 1 A 66 66 SER CA C 66 58.702 59.766 -1.064 1
1 636 . 3 1 1 A 66 66 SER CB C 66 64.819 62.198 2.621 1
1 637 . 3 1 1 A 66 66 SER N N 66 112.889 111.967 0.922 1
1 638 . 3 1 1 A 67 67 LYS H H 67 8.137 8.306 -0.169 1
1 639 . 3 1 1 A 67 67 LYS HA H 67 4.347 4.459 -0.112 1
1 641 . 3 1 1 A 67 67 LYS C C 67 176.555 175.960 0.595 1
1 642 . 3 1 1 A 67 67 LYS CA C 67 57.061 56.701 0.360 1
1 643 . 3 1 1 A 67 67 LYS CB C 67 33.669 35.407 -1.738 1
1 647 . 3 1 1 A 67 67 LYS N N 67 122.114 118.691 3.423 1
1 648 . 3 1 1 A 68 68 LYS H H 68 8.118 7.914 0.204 1
1 649 . 3 1 1 A 68 68 LYS HA H 68 4.322 3.998 0.324 1
1 651 . 3 1 1 A 68 68 LYS C C 68 176.446 175.424 1.022 1
1 652 . 3 1 1 A 68 68 LYS CA C 68 57.043 56.812 0.231 1
1 653 . 3 1 1 A 68 68 LYS CB C 68 33.531 30.851 2.680 1
1 657 . 3 1 1 A 68 68 LYS N N 68 121.435 116.590 4.845 1
1 658 . 3 1 1 A 69 69 LYS H H 69 8.394 8.140 0.254 1
1 659 . 3 1 1 A 69 69 LYS HA H 69 4.351 4.478 -0.127 1
1 663 . 3 1 1 A 69 69 LYS C C 69 175.623 174.910 0.713 1
1 664 . 3 1 1 A 69 69 LYS CA C 69 56.762 55.468 1.294 1
1 665 . 3 1 1 A 69 69 LYS CB C 69 33.782 31.615 2.167 1
1 669 . 3 1 1 A 69 69 LYS N N 69 121.052 122.718 -1.666 1
1 670 . 3 1 1 A 70 70 ASN H H 70 8.014 7.911 0.103 1
1 671 . 3 1 1 A 70 70 ASN HA H 70 4.515 5.244 -0.729 1
1 675 . 3 1 1 A 70 70 ASN CA C 70 55.331 52.298 3.033 1
1 676 . 3 1 1 A 70 70 ASN CB C 70 41.478 43.321 -1.843 1
1 677 . 3 1 1 A 70 70 ASN N N 70 125.005 118.195 6.810 1
1 679 . 3 1 1 A 71 71 GLY H H 71 8.255 8.468 -0.213 1
1 680 . 3 1 1 A 71 71 GLY HA2 H 71 3.986 4.119 -0.133 1
1 681 . 3 1 1 A 71 71 GLY C C 71 174.458 172.152 2.306 1
1 682 . 3 1 1 A 71 71 GLY CA C 71 46.110 45.434 0.676 1
1 683 . 3 1 1 A 71 71 GLY N N 71 114.247 108.343 5.904 1
1 684 . 3 1 1 A 72 72 ASN H H 72 8.462 8.891 -0.429 1
1 685 . 3 1 1 A 72 72 ASN HA H 72 4.796 5.169 -0.373 1
1 689 . 3 1 1 A 72 72 ASN C C 72 175.757 173.487 2.270 1
1 690 . 3 1 1 A 72 72 ASN CA C 72 53.882 52.766 1.116 1
1 691 . 3 1 1 A 72 72 ASN CB C 72 39.885 42.446 -2.561 1
1 692 . 3 1 1 A 72 72 ASN N N 72 118.314 122.209 -3.895 1
1 694 . 3 1 1 A 73 73 GLY H H 73 8.469 8.922 -0.453 1
1 695 . 3 1 1 A 73 73 GLY HA2 H 73 3.968 4.192 -0.224 1
1 696 . 3 1 1 A 73 73 GLY C C 73 174.791 172.308 2.483 1
1 697 . 3 1 1 A 73 73 GLY CA C 73 46.247 44.848 1.399 1
1 698 . 3 1 1 A 73 73 GLY N N 73 109.019 109.912 -0.893 1
1 699 . 3 1 1 A 74 74 GLY H H 74 7.946 8.626 -0.680 1
1 700 . 3 1 1 A 74 74 GLY HA2 H 74 4.112 4.137 -0.025 1
1 701 . 3 1 1 A 74 74 GLY HA3 H 74 4.177 4.205 -0.028 1
1 702 . 3 1 1 A 74 74 GLY C C 74 175.399 174.863 0.536 1
1 703 . 3 1 1 A 74 74 GLY CA C 74 45.825 45.389 0.436 1
1 704 . 3 1 1 A 74 74 GLY N N 74 108.672 109.776 -1.104 1
1 705 . 3 1 1 A 75 75 VAL H H 75 8.168 8.119 0.049 1
1 706 . 3 1 1 A 75 75 VAL HA H 75 3.881 3.819 0.062 1
1 714 . 3 1 1 A 75 75 VAL C C 75 176.466 175.641 0.825 1
1 715 . 3 1 1 A 75 75 VAL CA C 75 64.845 64.401 0.444 1
1 716 . 3 1 1 A 75 75 VAL CB C 75 32.811 31.559 1.252 1
1 719 . 3 1 1 A 75 75 VAL N N 75 119.832 121.873 -2.041 1
1 720 . 3 1 1 A 76 76 PHE H H 76 8.138 7.382 0.756 1
1 721 . 3 1 1 A 76 76 PHE HA H 76 4.664 4.831 -0.167 1
1 729 . 3 1 1 A 76 76 PHE C C 76 176.775 174.303 2.472 1
1 730 . 3 1 1 A 76 76 PHE CA C 76 58.810 56.085 2.725 1
1 731 . 3 1 1 A 76 76 PHE CB C 76 39.177 41.150 -1.973 1
1 732 . 3 1 1 A 76 76 PHE N N 76 118.007 117.306 0.701 1
1 733 . 3 1 1 A 77 77 GLY H H 77 8.080 8.908 -0.828 1
1 734 . 3 1 1 A 77 77 GLY HA2 H 77 3.948 4.058 -0.110 1
1 735 . 3 1 1 A 77 77 GLY C C 77 175.581 174.421 1.160 1
1 736 . 3 1 1 A 77 77 GLY CA C 77 47.292 46.141 1.151 1
1 737 . 3 1 1 A 77 77 GLY N N 77 107.115 108.820 -1.705 1
1 738 . 3 1 1 A 78 78 GLY H H 78 8.136 8.369 -0.233 1
1 739 . 3 1 1 A 78 78 GLY HA2 H 78 4.011 4.029 -0.018 1
1 740 . 3 1 1 A 78 78 GLY C C 78 175.337 174.735 0.602 1
1 741 . 3 1 1 A 78 78 GLY CA C 78 46.315 45.504 0.811 1
1 742 . 3 1 1 A 78 78 GLY N N 78 108.462 106.453 2.009 1
1 743 . 3 1 1 A 79 79 LEU H H 79 7.641 8.037 -0.396 1
1 744 . 3 1 1 A 79 79 LEU HA H 79 4.022 4.271 -0.249 1
1 753 . 3 1 1 A 79 79 LEU C C 79 177.256 178.775 -1.519 1
1 754 . 3 1 1 A 79 79 LEU CA C 79 57.813 57.241 0.572 1
1 755 . 3 1 1 A 79 79 LEU CB C 79 43.316 42.180 1.136 1
1 759 . 3 1 1 A 79 79 LEU N N 79 121.664 123.249 -1.585 1
1 760 . 3 1 1 A 80 80 PHE H H 80 7.944 8.526 -0.582 1
1 761 . 3 1 1 A 80 80 PHE HA H 80 4.633 4.107 0.526 1
1 768 . 3 1 1 A 80 80 PHE C C 80 175.433 177.635 -2.202 1
1 769 . 3 1 1 A 80 80 PHE CA C 80 58.208 61.706 -3.498 1
1 770 . 3 1 1 A 80 80 PHE CB C 80 39.615 38.261 1.354 1
1 771 . 3 1 1 A 80 80 PHE N N 80 114.796 119.077 -4.281 1
1 772 . 3 1 1 A 81 81 ALA H H 81 7.611 7.859 -0.248 1
1 773 . 3 1 1 A 81 81 ALA HA H 81 4.364 4.119 0.245 1
1 777 . 3 1 1 A 81 81 ALA C C 81 177.568 176.306 1.262 1
1 778 . 3 1 1 A 81 81 ALA CA C 81 52.989 55.125 -2.136 1
1 779 . 3 1 1 A 81 81 ALA CB C 81 19.902 19.191 0.711 1
1 780 . 3 1 1 A 81 81 ALA N N 81 122.618 121.629 0.989 1
1 781 . 3 1 1 A 82 82 LYS H H 82 8.155 7.849 0.306 1
1 782 . 3 1 1 A 82 82 LYS HA H 82 4.313 4.714 -0.401 1
1 784 . 3 1 1 A 82 82 LYS C C 82 176.941 176.180 0.761 1
1 785 . 3 1 1 A 82 82 LYS CA C 82 57.023 54.812 2.211 1
1 786 . 3 1 1 A 82 82 LYS CB C 82 33.299 35.379 -2.080 1
1 789 . 3 1 1 A 82 82 LYS N N 82 120.345 116.321 4.024 1
1 790 . 3 1 1 A 83 83 LYS H H 83 8.256 8.767 -0.511 1
1 791 . 3 1 1 A 83 83 LYS HA H 83 4.378 4.529 -0.151 1
1 794 . 3 1 1 A 83 83 LYS CA C 83 56.618 56.995 -0.377 1
1 795 . 3 1 1 A 83 83 LYS CB C 83 33.767 34.495 -0.728 1
1 799 . 3 1 1 A 83 83 LYS N N 83 122.901 118.174 4.727 1
1 6 . 4 1 1 A 2 2 ALA H H 2 8.448 8.564 -0.116 1
1 7 . 4 1 1 A 2 2 ALA HA H 2 4.314 4.369 -0.055 1
1 11 . 4 1 1 A 2 2 ALA C C 2 177.731 178.604 -0.873 1
1 12 . 4 1 1 A 2 2 ALA CA C 2 53.711 54.082 -0.371 1
1 13 . 4 1 1 A 2 2 ALA CB C 2 19.629 19.458 0.171 1
1 14 . 4 1 1 A 2 2 ALA N N 2 125.995 126.303 -0.308 1
1 15 . 4 1 1 A 3 3 ALA H H 3 8.148 7.972 0.176 1
1 16 . 4 1 1 A 3 3 ALA HA H 3 4.292 4.547 -0.255 1
1 20 . 4 1 1 A 3 3 ALA C C 3 177.888 176.891 0.997 1
1 21 . 4 1 1 A 3 3 ALA CA C 3 53.439 53.490 -0.051 1
1 22 . 4 1 1 A 3 3 ALA CB C 3 19.671 20.686 -1.015 1
1 23 . 4 1 1 A 3 3 ALA N N 3 121.767 117.504 4.263 1
1 24 . 4 1 1 A 4 4 LYS H H 4 8.047 7.769 0.278 1
1 25 . 4 1 1 A 4 4 LYS HA H 4 4.314 4.596 -0.282 1
1 27 . 4 1 1 A 4 4 LYS C C 4 177.363 175.665 1.698 1
1 28 . 4 1 1 A 4 4 LYS CA C 4 57.279 55.495 1.784 1
1 29 . 4 1 1 A 4 4 LYS CB C 4 33.570 35.361 -1.791 1
1 33 . 4 1 1 A 4 4 LYS N N 4 119.233 111.634 7.599 1
1 34 . 4 1 1 A 5 5 GLY H H 5 8.317 8.900 -0.583 1
1 35 . 4 1 1 A 5 5 GLY HA2 H 5 4.039 3.996 0.043 1
1 36 . 4 1 1 A 5 5 GLY C C 5 174.706 173.245 1.461 1
1 37 . 4 1 1 A 5 5 GLY CA C 5 46.246 45.373 0.873 1
1 38 . 4 1 1 A 5 5 GLY N N 5 109.070 110.242 -1.172 1
1 39 . 4 1 1 A 6 6 THR H H 6 8.002 7.587 0.415 1
1 40 . 4 1 1 A 6 6 THR HA H 6 4.357 4.890 -0.533 1
1 42 . 4 1 1 A 6 6 THR C C 6 174.839 174.235 0.604 1
1 43 . 4 1 1 A 6 6 THR CA C 6 62.444 60.689 1.755 1
1 44 . 4 1 1 A 6 6 THR CB C 6 70.490 70.640 -0.150 1
1 46 . 4 1 1 A 6 6 THR N N 6 112.809 114.296 -1.487 1
1 47 . 4 1 1 A 7 7 ALA H H 7 8.309 8.549 -0.240 1
1 48 . 4 1 1 A 7 7 ALA HA H 7 4.322 4.568 -0.246 1
1 52 . 4 1 1 A 7 7 ALA C C 7 178.032 176.295 1.737 1
1 53 . 4 1 1 A 7 7 ALA CA C 7 53.792 51.514 2.278 1
1 54 . 4 1 1 A 7 7 ALA CB C 7 19.733 19.284 0.449 1
1 55 . 4 1 1 A 7 7 ALA N N 7 125.292 130.547 -5.255 1
1 56 . 4 1 1 A 8 8 GLU H H 8 8.358 7.214 1.144 1
1 57 . 4 1 1 A 8 8 GLU HA H 8 4.297 4.567 -0.270 1
1 59 . 4 1 1 A 8 8 GLU C C 8 176.936 175.261 1.675 1
1 60 . 4 1 1 A 8 8 GLU CA C 8 57.618 55.320 2.298 1
1 61 . 4 1 1 A 8 8 GLU CB C 8 30.792 29.594 1.198 1
1 63 . 4 1 1 A 8 8 GLU N N 8 118.943 117.615 1.328 1
1 64 . 4 1 1 A 9 9 THR H H 9 7.974 8.863 -0.889 1
1 65 . 4 1 1 A 9 9 THR HA H 9 4.365 4.381 -0.016 1
1 67 . 4 1 1 A 9 9 THR C C 9 174.629 174.019 0.610 1
1 68 . 4 1 1 A 9 9 THR CA C 9 62.617 63.377 -0.760 1
1 69 . 4 1 1 A 9 9 THR CB C 9 70.422 68.479 1.943 1
1 71 . 4 1 1 A 9 9 THR N N 9 113.540 121.531 -7.991 1
1 72 . 4 1 1 A 10 10 LYS H H 10 8.242 8.375 -0.133 1
1 73 . 4 1 1 A 10 10 LYS HA H 10 4.314 4.610 -0.296 1
1 75 . 4 1 1 A 10 10 LYS C C 10 176.513 176.186 0.327 1
1 76 . 4 1 1 A 10 10 LYS CA C 10 57.173 55.586 1.587 1
1 77 . 4 1 1 A 10 10 LYS CB C 10 33.511 32.689 0.822 1
1 81 . 4 1 1 A 10 10 LYS N N 10 123.339 127.554 -4.215 1
1 82 . 4 1 1 A 11 11 GLN H H 11 8.381 8.209 0.172 1
1 83 . 4 1 1 A 11 11 GLN HA H 11 4.322 4.351 -0.029 1
1 89 . 4 1 1 A 11 11 GLN C C 11 176.073 176.506 -0.433 1
1 90 . 4 1 1 A 11 11 GLN CA C 11 56.689 57.394 -0.705 1
1 91 . 4 1 1 A 11 11 GLN CB C 11 29.940 29.688 0.252 1
1 93 . 4 1 1 A 11 11 GLN N N 11 120.885 122.187 -1.302 1
1 95 . 4 1 1 A 12 12 GLU H H 12 8.407 8.093 0.314 1
1 96 . 4 1 1 A 12 12 GLU HA H 12 4.304 4.419 -0.115 1
1 98 . 4 1 1 A 12 12 GLU C C 12 176.253 174.692 1.561 1
1 99 . 4 1 1 A 12 12 GLU CA C 12 57.536 58.495 -0.959 1
1 100 . 4 1 1 A 12 12 GLU CB C 12 30.799 28.703 2.096 1
1 102 . 4 1 1 A 12 12 GLU N N 12 121.152 117.158 3.994 1
1 103 . 4 1 1 A 13 13 LYS H H 13 8.220 8.293 -0.073 1
1 104 . 4 1 1 A 13 13 LYS HA H 13 4.542 4.674 -0.132 1
1 108 . 4 1 1 A 13 13 LYS C C 13 175.856 174.563 1.293 1
1 109 . 4 1 1 A 13 13 LYS CA C 13 56.335 55.994 0.341 1
1 110 . 4 1 1 A 13 13 LYS CB C 13 33.863 32.376 1.487 1
1 114 . 4 1 1 A 13 13 LYS N N 13 121.312 124.099 -2.787 1
1 115 . 4 1 1 A 14 14 SER H H 14 8.447 8.457 -0.010 1
1 116 . 4 1 1 A 14 14 SER HA H 14 4.639 5.032 -0.393 1
1 119 . 4 1 1 A 14 14 SER C C 14 175.529 174.515 1.014 1
1 120 . 4 1 1 A 14 14 SER CA C 14 58.802 55.732 3.070 1
1 121 . 4 1 1 A 14 14 SER CB C 14 64.803 66.181 -1.378 1
1 122 . 4 1 1 A 14 14 SER N N 14 116.487 119.511 -3.024 1
1 123 . 4 1 1 A 15 15 PHE H H 15 8.802 9.299 -0.497 1
1 124 . 4 1 1 A 15 15 PHE HA H 15 4.448 4.224 0.224 1
1 129 . 4 1 1 A 15 15 PHE C C 15 176.935 177.372 -0.437 1
1 130 . 4 1 1 A 15 15 PHE CA C 15 62.188 62.270 -0.082 1
1 131 . 4 1 1 A 15 15 PHE CB C 15 39.721 40.037 -0.316 1
1 132 . 4 1 1 A 15 15 PHE N N 15 124.339 125.597 -1.258 1
1 133 . 4 1 1 A 16 16 VAL H H 16 8.025 8.414 -0.389 1
1 134 . 4 1 1 A 16 16 VAL HA H 16 3.490 3.698 -0.208 1
1 142 . 4 1 1 A 16 16 VAL C C 16 177.123 177.391 -0.268 1
1 143 . 4 1 1 A 16 16 VAL CA C 16 67.959 65.079 2.880 1
1 144 . 4 1 1 A 16 16 VAL CB C 16 32.250 31.133 1.117 1
1 147 . 4 1 1 A 16 16 VAL N N 16 118.329 118.926 -0.597 1
1 148 . 4 1 1 A 17 17 ASP H H 17 7.926 8.328 -0.402 1
1 149 . 4 1 1 A 17 17 ASP HA H 17 4.354 4.383 -0.029 1
1 152 . 4 1 1 A 17 17 ASP C C 17 179.625 178.293 1.332 1
1 153 . 4 1 1 A 17 17 ASP CA C 17 58.204 57.272 0.932 1
1 154 . 4 1 1 A 17 17 ASP CB C 17 41.324 41.256 0.068 1
1 155 . 4 1 1 A 17 17 ASP N N 17 118.753 121.186 -2.433 1
1 156 . 4 1 1 A 18 18 TRP H H 18 8.174 7.868 0.306 1
1 157 . 4 1 1 A 18 18 TRP HA H 18 4.111 4.295 -0.184 1
1 163 . 4 1 1 A 18 18 TRP CA C 18 62.194 60.654 1.540 1
1 164 . 4 1 1 A 18 18 TRP CB C 18 29.150 29.510 -0.360 1
1 165 . 4 1 1 A 18 18 TRP N N 18 122.311 121.543 0.768 1
1 167 . 4 1 1 A 19 19 LEU H H 19 8.517 8.729 -0.212 1
1 168 . 4 1 1 A 19 19 LEU HA H 19 3.447 3.637 -0.190 1
1 178 . 4 1 1 A 19 19 LEU C C 19 179.115 179.031 0.084 1
1 179 . 4 1 1 A 19 19 LEU CA C 19 58.630 58.216 0.414 1
1 180 . 4 1 1 A 19 19 LEU CB C 19 42.676 41.909 0.767 1
1 184 . 4 1 1 A 19 19 LEU N N 19 120.943 121.004 -0.061 1
1 185 . 4 1 1 A 20 20 LEU H H 20 8.713 8.640 0.073 1
1 186 . 4 1 1 A 20 20 LEU HA H 20 3.972 4.002 -0.030 1
1 196 . 4 1 1 A 20 20 LEU C C 20 180.266 178.773 1.493 1
1 197 . 4 1 1 A 20 20 LEU CA C 20 58.318 57.653 0.665 1
1 198 . 4 1 1 A 20 20 LEU CB C 20 41.655 41.694 -0.039 1
1 202 . 4 1 1 A 20 20 LEU N N 20 117.598 119.137 -1.539 1
1 203 . 4 1 1 A 21 21 GLY H H 21 7.783 8.181 -0.398 1
1 204 . 4 1 1 A 21 21 GLY HA2 H 21 3.829 3.965 -0.136 1
1 205 . 4 1 1 A 21 21 GLY C C 21 175.390 176.039 -0.649 1
1 206 . 4 1 1 A 21 21 GLY CA C 21 46.978 46.753 0.225 1
1 207 . 4 1 1 A 21 21 GLY N N 21 106.102 107.206 -1.104 1
1 208 . 4 1 1 A 22 22 LYS H H 22 7.443 7.817 -0.374 1
1 209 . 4 1 1 A 22 22 LYS HA H 22 4.090 4.195 -0.105 1
1 217 . 4 1 1 A 22 22 LYS C C 22 177.806 179.000 -1.194 1
1 218 . 4 1 1 A 22 22 LYS CA C 22 56.974 59.298 -2.324 1
1 219 . 4 1 1 A 22 22 LYS CB C 22 32.718 32.980 -0.262 1
1 223 . 4 1 1 A 22 22 LYS N N 22 118.883 121.316 -2.433 1
1 224 . 4 1 1 A 23 23 ILE H H 23 7.550 7.467 0.083 1
1 225 . 4 1 1 A 23 23 ILE HA H 23 4.165 3.677 0.488 1
1 235 . 4 1 1 A 23 23 ILE C C 23 175.996 178.058 -2.062 1
1 236 . 4 1 1 A 23 23 ILE CA C 23 62.916 65.247 -2.331 1
1 237 . 4 1 1 A 23 23 ILE CB C 23 39.444 37.506 1.938 1
1 241 . 4 1 1 A 23 23 ILE N N 23 114.457 120.552 -6.095 1
1 242 . 4 1 1 A 24 24 THR H H 24 7.778 8.440 -0.662 1
1 243 . 4 1 1 A 24 24 THR HA H 24 4.379 3.885 0.494 1
1 248 . 4 1 1 A 24 24 THR C C 24 174.616 176.630 -2.014 1
1 249 . 4 1 1 A 24 24 THR CA C 24 62.699 65.405 -2.706 1
1 250 . 4 1 1 A 24 24 THR CB C 24 70.567 68.857 1.710 1
1 252 . 4 1 1 A 24 24 THR N N 24 113.224 115.067 -1.843 1
1 253 . 4 1 1 A 25 25 LYS H H 25 7.956 7.454 0.502 1
1 259 . 4 1 1 A 25 25 LYS CA C 25 56.696 59.505 -2.809 1
1 260 . 4 1 1 A 25 25 LYS CB C 25 33.428 32.351 1.077 1
1 262 . 4 1 1 A 25 25 LYS N N 25 122.468 121.202 1.266 1
1 263 . 4 1 1 A 26 26 GLU H H 26 8.392 7.712 0.680 1
1 264 . 4 1 1 A 26 26 GLU HA H 26 4.230 4.031 0.199 1
1 268 . 4 1 1 A 26 26 GLU C C 26 176.320 176.113 0.207 1
1 269 . 4 1 1 A 26 26 GLU CA C 26 57.616 57.613 0.003 1
1 270 . 4 1 1 A 26 26 GLU CB C 26 30.854 28.656 2.198 1
1 272 . 4 1 1 A 26 26 GLU N N 26 121.068 118.671 2.397 1
1 273 . 4 1 1 A 27 27 ASP H H 27 8.299 8.348 -0.049 1
1 274 . 4 1 1 A 27 27 ASP HA H 27 4.496 4.872 -0.376 1
1 276 . 4 1 1 A 27 27 ASP C C 27 175.931 176.060 -0.129 1
1 277 . 4 1 1 A 27 27 ASP CA C 27 55.161 55.305 -0.144 1
1 278 . 4 1 1 A 27 27 ASP CB C 27 41.532 43.393 -1.861 1
1 279 . 4 1 1 A 27 27 ASP N N 27 119.412 117.512 1.900 1
1 280 . 4 1 1 A 28 28 GLN H H 28 8.108 7.815 0.293 1
1 281 . 4 1 1 A 28 28 GLN HA H 28 4.215 4.958 -0.743 1
1 286 . 4 1 1 A 28 28 GLN C C 28 175.845 173.716 2.129 1
1 287 . 4 1 1 A 28 28 GLN CA C 28 56.559 54.695 1.864 1
1 288 . 4 1 1 A 28 28 GLN CB C 28 30.105 32.326 -2.221 1
1 290 . 4 1 1 A 28 28 GLN N N 28 119.037 113.436 5.601 1
1 292 . 4 1 1 A 29 29 PHE H H 29 8.235 8.996 -0.761 1
1 293 . 4 1 1 A 29 29 PHE HA H 29 4.514 5.303 -0.789 1
1 299 . 4 1 1 A 29 29 PHE C C 29 175.361 173.845 1.516 1
1 300 . 4 1 1 A 29 29 PHE CA C 29 58.810 55.442 3.368 1
1 301 . 4 1 1 A 29 29 PHE CB C 29 40.000 40.466 -0.466 1
1 302 . 4 1 1 A 29 29 PHE N N 29 120.622 124.149 -3.527 1
1 303 . 4 1 1 A 30 30 TYR H H 30 7.715 8.953 -1.238 1
1 304 . 4 1 1 A 30 30 TYR HA H 30 4.508 4.713 -0.205 1
1 310 . 4 1 1 A 30 30 TYR C C 30 175.416 174.997 0.419 1
1 311 . 4 1 1 A 30 30 TYR CA C 30 58.544 57.973 0.571 1
1 312 . 4 1 1 A 30 30 TYR CB C 30 39.613 39.683 -0.070 1
1 313 . 4 1 1 A 30 30 TYR N N 30 119.864 126.295 -6.431 1
1 314 . 4 1 1 A 31 31 GLU H H 31 8.187 9.120 -0.933 1
1 315 . 4 1 1 A 31 31 GLU HA H 31 4.293 4.493 -0.200 1
1 319 . 4 1 1 A 31 31 GLU C C 31 176.148 178.382 -2.234 1
1 320 . 4 1 1 A 31 31 GLU CA C 31 57.172 57.473 -0.301 1
1 321 . 4 1 1 A 31 31 GLU CB C 31 30.845 32.066 -1.221 1
1 323 . 4 1 1 A 31 31 GLU N N 31 121.546 121.057 0.489 1
1 324 . 4 1 1 A 32 32 THR H H 32 7.864 8.307 -0.443 1
1 325 . 4 1 1 A 32 32 THR HA H 32 4.359 4.128 0.231 1
1 330 . 4 1 1 A 32 32 THR C C 32 173.970 174.194 -0.224 1
1 331 . 4 1 1 A 32 32 THR CA C 32 62.043 64.752 -2.709 1
1 332 . 4 1 1 A 32 32 THR CB C 32 70.721 68.677 2.044 1
1 334 . 4 1 1 A 32 32 THR N N 32 113.695 112.317 1.378 1
1 335 . 4 1 1 A 33 33 ASP H H 33 8.317 8.036 0.281 1
1 336 . 4 1 1 A 33 33 ASP HA H 33 4.880 4.999 -0.119 1
1 339 . 4 1 1 A 33 33 ASP CA C 33 53.661 51.117 2.544 1
1 340 . 4 1 1 A 33 33 ASP CB C 33 41.474 41.283 0.191 1
1 341 . 4 1 1 A 33 33 ASP N N 33 123.601 121.777 1.824 1
1 342 . 4 1 1 A 34 34 PRO HA H 34 4.408 4.727 -0.319 1
1 348 . 4 1 1 A 34 34 PRO C C 34 174.420 176.306 -1.886 1
1 349 . 4 1 1 A 34 34 PRO CA C 34 64.164 62.631 1.533 1
1 350 . 4 1 1 A 34 34 PRO CB C 34 32.774 31.803 0.971 1
1 353 . 4 1 1 A 35 35 ILE H H 35 8.143 8.192 -0.049 1
1 354 . 4 1 1 A 35 35 ILE HA H 35 4.046 5.094 -1.048 1
1 364 . 4 1 1 A 35 35 ILE C C 35 176.474 175.053 1.421 1
1 365 . 4 1 1 A 35 35 ILE CA C 35 62.937 59.089 3.848 1
1 366 . 4 1 1 A 35 35 ILE CB C 35 39.275 42.202 -2.927 1
1 370 . 4 1 1 A 35 35 ILE N N 35 120.322 117.550 2.772 1
1 371 . 4 1 1 A 36 36 LEU H H 36 7.975 8.447 -0.472 1
1 372 . 4 1 1 A 36 36 LEU HA H 36 4.398 4.544 -0.146 1
1 381 . 4 1 1 A 36 36 LEU C C 36 177.299 178.171 -0.872 1
1 382 . 4 1 1 A 36 36 LEU CA C 36 56.022 56.130 -0.108 1
1 383 . 4 1 1 A 36 36 LEU CB C 36 42.837 42.727 0.110 1
1 387 . 4 1 1 A 36 36 LEU N N 36 121.023 121.000 0.023 1
1 388 . 4 1 1 A 37 37 ARG H H 37 7.932 8.117 -0.185 1
1 389 . 4 1 1 A 37 37 ARG HA H 37 4.345 4.487 -0.142 1
1 395 . 4 1 1 A 37 37 ARG C C 37 176.869 177.215 -0.346 1
1 396 . 4 1 1 A 37 37 ARG CA C 37 56.912 56.674 0.238 1
1 397 . 4 1 1 A 37 37 ARG CB C 37 31.127 31.936 -0.809 1
1 400 . 4 1 1 A 37 37 ARG N N 37 118.673 116.279 2.394 1
1 402 . 4 1 1 A 38 38 GLY H H 38 8.271 7.565 0.706 1
1 403 . 4 1 1 A 38 38 GLY HA2 H 38 3.986 4.000 -0.014 1
1 404 . 4 1 1 A 38 38 GLY C C 38 174.864 174.149 0.715 1
1 405 . 4 1 1 A 38 38 GLY CA C 38 46.258 45.541 0.717 1
1 406 . 4 1 1 A 38 38 GLY N N 38 108.377 106.964 1.413 1
1 407 . 4 1 1 A 39 39 GLY H H 39 8.218 7.638 0.580 1
1 408 . 4 1 1 A 39 39 GLY HA2 H 39 3.998 4.093 -0.095 1
1 409 . 4 1 1 A 39 39 GLY C C 39 174.158 172.875 1.283 1
1 410 . 4 1 1 A 39 39 GLY CA C 39 46.187 45.694 0.493 1
1 411 . 4 1 1 A 39 39 GLY N N 39 108.485 106.545 1.940 1
1 412 . 4 1 1 A 40 40 ASP H H 40 8.274 8.097 0.177 1
1 413 . 4 1 1 A 40 40 ASP HA H 40 4.699 4.822 -0.123 1
1 415 . 4 1 1 A 40 40 ASP C C 40 176.791 175.685 1.106 1
1 416 . 4 1 1 A 40 40 ASP CA C 40 55.105 53.499 1.606 1
1 417 . 4 1 1 A 40 40 ASP CB C 40 41.715 41.729 -0.014 1
1 418 . 4 1 1 A 40 40 ASP N N 40 120.261 120.573 -0.312 1
1 419 . 4 1 1 A 41 41 VAL H H 41 8.071 8.619 -0.548 1
1 420 . 4 1 1 A 41 41 VAL HA H 41 3.993 3.799 0.194 1
1 425 . 4 1 1 A 41 41 VAL C C 41 176.869 175.712 1.157 1
1 426 . 4 1 1 A 41 41 VAL CA C 41 64.502 64.746 -0.244 1
1 427 . 4 1 1 A 41 41 VAL CB C 41 32.773 32.581 0.192 1
1 429 . 4 1 1 A 41 41 VAL N N 41 120.111 124.721 -4.610 1
1 430 . 4 1 1 A 42 42 LYS H H 42 8.213 7.949 0.264 1
1 431 . 4 1 1 A 42 42 LYS HA H 42 4.299 3.952 0.347 1
1 434 . 4 1 1 A 42 42 LYS C C 42 177.041 175.794 1.247 1
1 435 . 4 1 1 A 42 42 LYS CA C 42 57.639 57.117 0.522 1
1 436 . 4 1 1 A 42 42 LYS CB C 42 33.227 30.906 2.321 1
1 440 . 4 1 1 A 42 42 LYS N N 42 121.557 121.641 -0.084 1
1 441 . 4 1 1 A 43 43 SER H H 43 8.126 7.998 0.128 1
1 442 . 4 1 1 A 43 43 SER HA H 43 4.452 4.940 -0.488 1
1 444 . 4 1 1 A 43 43 SER C C 43 175.085 175.033 0.052 1
1 445 . 4 1 1 A 43 43 SER CA C 43 59.403 56.998 2.405 1
1 446 . 4 1 1 A 43 43 SER CB C 43 64.208 64.332 -0.124 1
1 447 . 4 1 1 A 43 43 SER N N 43 115.295 115.492 -0.197 1
1 448 . 4 1 1 A 44 44 SER H H 44 8.251 9.078 -0.827 1
1 449 . 4 1 1 A 44 44 SER HA H 44 4.479 4.470 0.009 1
1 451 . 4 1 1 A 44 44 SER C C 44 175.331 174.383 0.948 1
1 452 . 4 1 1 A 44 44 SER CA C 44 59.701 59.870 -0.169 1
1 453 . 4 1 1 A 44 44 SER CB C 44 64.453 63.521 0.932 1
1 454 . 4 1 1 A 44 44 SER N N 44 117.357 119.141 -1.784 1
1 455 . 4 1 1 A 45 45 GLY H H 45 8.401 7.320 1.081 1
1 456 . 4 1 1 A 45 45 GLY HA2 H 45 4.030 4.043 -0.013 1
1 457 . 4 1 1 A 45 45 GLY C C 45 174.472 173.761 0.711 1
1 458 . 4 1 1 A 45 45 GLY CA C 45 46.258 44.694 1.564 1
1 459 . 4 1 1 A 45 45 GLY N N 45 110.523 107.762 2.761 1
1 460 . 4 1 1 A 46 46 SER H H 46 8.177 8.824 -0.647 1
1 461 . 4 1 1 A 46 46 SER HA H 46 4.536 4.617 -0.081 1
1 463 . 4 1 1 A 46 46 SER C C 46 175.206 174.021 1.185 1
1 464 . 4 1 1 A 46 46 SER CA C 46 59.244 59.564 -0.320 1
1 465 . 4 1 1 A 46 46 SER CB C 46 64.484 65.441 -0.957 1
1 466 . 4 1 1 A 46 46 SER N N 46 115.297 116.345 -1.048 1
1 467 . 4 1 1 A 47 47 THR H H 47 8.198 8.034 0.164 1
1 468 . 4 1 1 A 47 47 THR HA H 47 4.432 4.422 0.010 1
1 470 . 4 1 1 A 47 47 THR C C 47 174.939 173.709 1.230 1
1 471 . 4 1 1 A 47 47 THR CA C 47 62.746 63.389 -0.643 1
1 472 . 4 1 1 A 47 47 THR CB C 47 70.246 67.613 2.633 1
1 474 . 4 1 1 A 47 47 THR N N 47 114.635 113.629 1.006 1
1 475 . 4 1 1 A 48 48 SER H H 48 8.228 8.417 -0.189 1
1 476 . 4 1 1 A 48 48 SER HA H 48 4.473 5.335 -0.862 1
1 478 . 4 1 1 A 48 48 SER C C 48 175.241 173.623 1.618 1
1 479 . 4 1 1 A 48 48 SER CA C 48 59.480 56.436 3.044 1
1 480 . 4 1 1 A 48 48 SER CB C 48 64.429 66.260 -1.831 1
1 481 . 4 1 1 A 48 48 SER N N 48 117.146 116.250 0.896 1
1 482 . 4 1 1 A 49 49 GLY H H 49 8.342 8.657 -0.315 1
1 483 . 4 1 1 A 49 49 GLY HA2 H 49 4.048 4.375 -0.327 1
1 484 . 4 1 1 A 49 49 GLY C C 49 174.776 174.054 0.722 1
1 485 . 4 1 1 A 49 49 GLY CA C 49 46.233 44.985 1.248 1
1 486 . 4 1 1 A 49 49 GLY N N 49 110.627 107.019 3.608 1
1 487 . 4 1 1 A 50 50 LYS H H 50 8.124 8.805 -0.681 1
1 488 . 4 1 1 A 50 50 LYS HA H 50 4.302 4.397 -0.095 1
1 490 . 4 1 1 A 50 50 LYS C C 50 176.932 176.013 0.919 1
1 491 . 4 1 1 A 50 50 LYS CA C 50 57.333 57.013 0.320 1
1 492 . 4 1 1 A 50 50 LYS CB C 50 33.497 34.353 -0.856 1
1 496 . 4 1 1 A 50 50 LYS N N 50 120.037 124.767 -4.730 1
1 497 . 4 1 1 A 51 51 LYS H H 51 8.089 7.988 0.101 1
1 498 . 4 1 1 A 51 51 LYS HA H 51 4.325 4.283 0.042 1
1 500 . 4 1 1 A 51 51 LYS C C 51 177.169 177.024 0.145 1
1 501 . 4 1 1 A 51 51 LYS CA C 51 57.251 58.388 -1.137 1
1 502 . 4 1 1 A 51 51 LYS CB C 51 33.293 31.424 1.869 1
1 506 . 4 1 1 A 51 51 LYS N N 51 120.805 117.570 3.235 1
1 507 . 4 1 1 A 52 52 GLY H H 52 8.304 8.738 -0.434 1
1 508 . 4 1 1 A 52 52 GLY HA2 H 52 4.005 4.076 -0.071 1
1 509 . 4 1 1 A 52 52 GLY C C 52 174.545 174.571 -0.026 1
1 510 . 4 1 1 A 52 52 GLY CA C 52 46.250 45.769 0.481 1
1 511 . 4 1 1 A 52 52 GLY N N 52 109.109 110.775 -1.666 1
1 512 . 4 1 1 A 53 53 GLY H H 53 8.201 7.956 0.245 1
1 513 . 4 1 1 A 53 53 GLY HA2 H 53 4.051 4.054 -0.003 1
1 514 . 4 1 1 A 53 53 GLY C C 53 174.771 173.646 1.125 1
1 515 . 4 1 1 A 53 53 GLY CA C 53 46.204 44.458 1.746 1
1 516 . 4 1 1 A 53 53 GLY N N 53 108.474 105.980 2.494 1
1 517 . 4 1 1 A 54 54 THR H H 54 8.115 8.568 -0.453 1
1 518 . 4 1 1 A 54 54 THR HA H 54 4.442 4.349 0.093 1
1 522 . 4 1 1 A 54 54 THR C C 54 175.190 174.397 0.793 1
1 523 . 4 1 1 A 54 54 THR CA C 54 62.904 62.849 0.055 1
1 524 . 4 1 1 A 54 54 THR CB C 54 70.261 68.840 1.421 1
1 525 . 4 1 1 A 54 54 THR N N 54 113.386 114.452 -1.066 1
1 526 . 4 1 1 A 55 55 THR H H 55 8.158 8.521 -0.363 1
1 527 . 4 1 1 A 55 55 THR HA H 55 4.452 4.542 -0.090 1
1 531 . 4 1 1 A 55 55 THR C C 55 175.050 174.871 0.179 1
1 532 . 4 1 1 A 55 55 THR CA C 55 62.740 63.293 -0.553 1
1 533 . 4 1 1 A 55 55 THR CB C 55 70.171 70.951 -0.780 1
1 535 . 4 1 1 A 55 55 THR N N 55 114.825 115.485 -0.660 1
1 536 . 4 1 1 A 56 56 SER H H 56 8.233 8.180 0.053 1
1 537 . 4 1 1 A 56 56 SER HA H 56 4.484 4.111 0.373 1
1 539 . 4 1 1 A 56 56 SER C C 56 175.314 175.123 0.191 1
1 540 . 4 1 1 A 56 56 SER CA C 56 59.419 59.079 0.340 1
1 541 . 4 1 1 A 56 56 SER CB C 56 64.576 62.210 2.366 1
1 542 . 4 1 1 A 56 56 SER N N 56 117.144 116.488 0.656 1
1 543 . 4 1 1 A 57 57 GLY H H 57 8.340 8.073 0.267 1
1 544 . 4 1 1 A 57 57 GLY HA2 H 57 4.043 3.909 0.134 1
1 545 . 4 1 1 A 57 57 GLY C C 57 176.801 174.163 2.638 1
1 546 . 4 1 1 A 57 57 GLY CA C 57 45.927 46.453 -0.526 1
1 547 . 4 1 1 A 57 57 GLY N N 57 110.613 108.431 2.182 1
1 548 . 4 1 1 A 58 58 LYS H H 58 8.125 7.508 0.617 1
1 549 . 4 1 1 A 58 58 LYS HA H 58 4.313 4.729 -0.416 1
1 554 . 4 1 1 A 58 58 LYS C C 58 176.220 175.400 0.820 1
1 555 . 4 1 1 A 58 58 LYS CA C 58 57.524 54.510 3.014 1
1 556 . 4 1 1 A 58 58 LYS CB C 58 33.485 35.665 -2.180 1
1 560 . 4 1 1 A 58 58 LYS N N 58 120.526 114.792 5.734 1
1 561 . 4 1 1 A 59 59 LYS H H 59 8.227 8.906 -0.679 1
1 562 . 4 1 1 A 59 59 LYS HA H 59 4.202 4.544 -0.342 1
1 567 . 4 1 1 A 59 59 LYS C C 59 177.075 176.981 0.094 1
1 568 . 4 1 1 A 59 59 LYS CA C 59 58.240 57.168 1.072 1
1 569 . 4 1 1 A 59 59 LYS CB C 59 33.354 34.006 -0.652 1
1 573 . 4 1 1 A 59 59 LYS N N 59 121.098 118.536 2.562 1
1 574 . 4 1 1 A 60 60 GLY H H 60 8.337 8.004 0.333 1
1 575 . 4 1 1 A 60 60 GLY HA2 H 60 4.047 4.012 0.035 1
1 576 . 4 1 1 A 60 60 GLY C C 60 174.631 173.808 0.823 1
1 577 . 4 1 1 A 60 60 GLY CA C 60 46.282 45.339 0.943 1
1 578 . 4 1 1 A 60 60 GLY N N 60 109.436 106.998 2.438 1
1 579 . 4 1 1 A 61 61 THR H H 61 7.947 7.926 0.021 1
1 580 . 4 1 1 A 61 61 THR HA H 61 4.396 4.552 -0.156 1
1 585 . 4 1 1 A 61 61 THR C C 61 174.470 175.112 -0.642 1
1 586 . 4 1 1 A 61 61 THR CA C 61 62.795 60.828 1.967 1
1 587 . 4 1 1 A 61 61 THR CB C 61 70.637 69.489 1.148 1
1 589 . 4 1 1 A 61 61 THR N N 61 112.095 115.693 -3.598 1
1 590 . 4 1 1 A 62 62 VAL H H 62 7.788 8.224 -0.436 1
1 591 . 4 1 1 A 62 62 VAL HA H 62 4.243 4.396 -0.153 1
1 596 . 4 1 1 A 62 62 VAL CA C 62 62.733 63.179 -0.446 1
1 597 . 4 1 1 A 62 62 VAL CB C 62 33.693 33.991 -0.298 1
1 599 . 4 1 1 A 62 62 VAL N N 62 120.973 122.080 -1.107 1
1 600 . 4 1 1 A 63 63 SER H H 63 8.052 7.779 0.273 1
1 601 . 4 1 1 A 63 63 SER HA H 63 4.665 4.733 -0.068 1
1 604 . 4 1 1 A 63 63 SER CA C 63 57.747 56.909 0.838 1
1 605 . 4 1 1 A 63 63 SER CB C 63 64.991 63.725 1.266 1
1 606 . 4 1 1 A 63 63 SER N N 63 119.427 115.568 3.859 1
1 607 . 4 1 1 A 64 64 ILE H H 64 8.191 7.943 0.248 1
1 608 . 4 1 1 A 64 64 ILE HA H 64 4.313 4.922 -0.609 1
1 617 . 4 1 1 A 64 64 ILE CA C 64 59.873 57.496 2.377 1
1 618 . 4 1 1 A 64 64 ILE CB C 64 38.818 40.510 -1.692 1
1 621 . 4 1 1 A 64 64 ILE N N 64 122.947 119.525 3.422 1
1 622 . 4 1 1 A 65 65 PRO HA H 65 4.466 4.486 -0.020 1
1 628 . 4 1 1 A 65 65 PRO CA C 65 64.303 64.146 0.157 1
1 629 . 4 1 1 A 65 65 PRO CB C 65 32.672 31.947 0.725 1
1 632 . 4 1 1 A 66 66 SER H H 66 8.002 8.387 -0.385 1
1 633 . 4 1 1 A 66 66 SER HA H 66 4.498 4.184 0.314 1
1 635 . 4 1 1 A 66 66 SER CA C 66 58.702 60.952 -2.250 1
1 636 . 4 1 1 A 66 66 SER CB C 66 64.819 62.926 1.893 1
1 637 . 4 1 1 A 66 66 SER N N 66 112.889 113.472 -0.583 1
1 638 . 4 1 1 A 67 67 LYS H H 67 8.137 7.156 0.981 1
1 639 . 4 1 1 A 67 67 LYS HA H 67 4.347 4.405 -0.058 1
1 641 . 4 1 1 A 67 67 LYS C C 67 176.555 178.297 -1.742 1
1 642 . 4 1 1 A 67 67 LYS CA C 67 57.061 57.259 -0.198 1
1 643 . 4 1 1 A 67 67 LYS CB C 67 33.669 33.372 0.297 1
1 647 . 4 1 1 A 67 67 LYS N N 67 122.114 119.905 2.209 1
1 648 . 4 1 1 A 68 68 LYS H H 68 8.118 8.002 0.116 1
1 649 . 4 1 1 A 68 68 LYS HA H 68 4.322 3.972 0.350 1
1 651 . 4 1 1 A 68 68 LYS C C 68 176.446 176.435 0.011 1
1 652 . 4 1 1 A 68 68 LYS CA C 68 57.043 59.519 -2.476 1
1 653 . 4 1 1 A 68 68 LYS CB C 68 33.531 32.279 1.252 1
1 657 . 4 1 1 A 68 68 LYS N N 68 121.435 120.328 1.107 1
1 658 . 4 1 1 A 69 69 LYS H H 69 8.394 7.969 0.425 1
1 659 . 4 1 1 A 69 69 LYS HA H 69 4.351 3.892 0.459 1
1 663 . 4 1 1 A 69 69 LYS C C 69 175.623 175.474 0.149 1
1 664 . 4 1 1 A 69 69 LYS CA C 69 56.762 57.113 -0.351 1
1 665 . 4 1 1 A 69 69 LYS CB C 69 33.782 31.292 2.490 1
1 669 . 4 1 1 A 69 69 LYS N N 69 121.052 119.118 1.934 1
1 670 . 4 1 1 A 70 70 ASN H H 70 8.014 8.611 -0.597 1
1 671 . 4 1 1 A 70 70 ASN HA H 70 4.515 4.327 0.188 1
1 675 . 4 1 1 A 70 70 ASN CA C 70 55.331 54.092 1.239 1
1 676 . 4 1 1 A 70 70 ASN CB C 70 41.478 37.046 4.432 1
1 677 . 4 1 1 A 70 70 ASN N N 70 125.005 110.340 14.665 1
1 679 . 4 1 1 A 71 71 GLY H H 71 8.255 8.252 0.003 1
1 680 . 4 1 1 A 71 71 GLY HA2 H 71 3.986 4.438 -0.452 1
1 681 . 4 1 1 A 71 71 GLY C C 71 174.458 173.240 1.218 1
1 682 . 4 1 1 A 71 71 GLY CA C 71 46.110 44.682 1.428 1
1 683 . 4 1 1 A 71 71 GLY N N 71 114.247 108.517 5.730 1
1 684 . 4 1 1 A 72 72 ASN H H 72 8.462 8.909 -0.447 1
1 685 . 4 1 1 A 72 72 ASN HA H 72 4.796 4.925 -0.129 1
1 689 . 4 1 1 A 72 72 ASN C C 72 175.757 175.145 0.612 1
1 690 . 4 1 1 A 72 72 ASN CA C 72 53.882 54.515 -0.633 1
1 691 . 4 1 1 A 72 72 ASN CB C 72 39.885 40.732 -0.847 1
1 692 . 4 1 1 A 72 72 ASN N N 72 118.314 121.081 -2.767 1
1 694 . 4 1 1 A 73 73 GLY H H 73 8.469 7.502 0.967 1
1 695 . 4 1 1 A 73 73 GLY HA2 H 73 3.968 4.050 -0.082 1
1 696 . 4 1 1 A 73 73 GLY C C 73 174.791 174.177 0.614 1
1 697 . 4 1 1 A 73 73 GLY CA C 73 46.247 45.488 0.759 1
1 698 . 4 1 1 A 73 73 GLY N N 73 109.019 106.604 2.415 1
1 699 . 4 1 1 A 74 74 GLY H H 74 7.946 8.845 -0.899 1
1 700 . 4 1 1 A 74 74 GLY HA2 H 74 4.112 4.039 0.073 1
1 701 . 4 1 1 A 74 74 GLY HA3 H 74 4.177 4.049 0.128 1
1 702 . 4 1 1 A 74 74 GLY C C 74 175.399 175.083 0.316 1
1 703 . 4 1 1 A 74 74 GLY CA C 74 45.825 44.858 0.967 1
1 704 . 4 1 1 A 74 74 GLY N N 74 108.672 115.305 -6.633 1
1 705 . 4 1 1 A 75 75 VAL H H 75 8.168 8.491 -0.323 1
1 706 . 4 1 1 A 75 75 VAL HA H 75 3.881 3.976 -0.095 1
1 714 . 4 1 1 A 75 75 VAL C C 75 176.466 175.459 1.007 1
1 715 . 4 1 1 A 75 75 VAL CA C 75 64.845 63.920 0.925 1
1 716 . 4 1 1 A 75 75 VAL CB C 75 32.811 32.790 0.021 1
1 719 . 4 1 1 A 75 75 VAL N N 75 119.832 119.989 -0.157 1
1 720 . 4 1 1 A 76 76 PHE H H 76 8.138 7.766 0.372 1
1 721 . 4 1 1 A 76 76 PHE HA H 76 4.664 5.115 -0.451 1
1 729 . 4 1 1 A 76 76 PHE C C 76 176.775 175.741 1.034 1
1 730 . 4 1 1 A 76 76 PHE CA C 76 58.810 56.549 2.261 1
1 731 . 4 1 1 A 76 76 PHE CB C 76 39.177 43.191 -4.014 1
1 732 . 4 1 1 A 76 76 PHE N N 76 118.007 116.905 1.102 1
1 733 . 4 1 1 A 77 77 GLY H H 77 8.080 8.845 -0.765 1
1 734 . 4 1 1 A 77 77 GLY HA2 H 77 3.948 3.975 -0.027 1
1 735 . 4 1 1 A 77 77 GLY C C 77 175.581 174.099 1.482 1
1 736 . 4 1 1 A 77 77 GLY CA C 77 47.292 45.565 1.727 1
1 737 . 4 1 1 A 77 77 GLY N N 77 107.115 110.978 -3.863 1
1 738 . 4 1 1 A 78 78 GLY H H 78 8.136 7.604 0.532 1
1 739 . 4 1 1 A 78 78 GLY HA2 H 78 4.011 4.139 -0.128 1
1 740 . 4 1 1 A 78 78 GLY C C 78 175.337 174.602 0.735 1
1 741 . 4 1 1 A 78 78 GLY CA C 78 46.315 45.881 0.434 1
1 742 . 4 1 1 A 78 78 GLY N N 78 108.462 107.020 1.442 1
1 743 . 4 1 1 A 79 79 LEU H H 79 7.641 8.030 -0.389 1
1 744 . 4 1 1 A 79 79 LEU HA H 79 4.022 4.259 -0.237 1
1 753 . 4 1 1 A 79 79 LEU C C 79 177.256 177.517 -0.261 1
1 754 . 4 1 1 A 79 79 LEU CA C 79 57.813 56.944 0.869 1
1 755 . 4 1 1 A 79 79 LEU CB C 79 43.316 43.047 0.269 1
1 759 . 4 1 1 A 79 79 LEU N N 79 121.664 120.640 1.024 1
1 760 . 4 1 1 A 80 80 PHE H H 80 7.944 7.968 -0.024 1
1 761 . 4 1 1 A 80 80 PHE HA H 80 4.633 4.665 -0.032 1
1 768 . 4 1 1 A 80 80 PHE C C 80 175.433 175.680 -0.247 1
1 769 . 4 1 1 A 80 80 PHE CA C 80 58.208 57.222 0.986 1
1 770 . 4 1 1 A 80 80 PHE CB C 80 39.615 38.716 0.899 1
1 771 . 4 1 1 A 80 80 PHE N N 80 114.796 117.654 -2.858 1
1 772 . 4 1 1 A 81 81 ALA H H 81 7.611 7.465 0.146 1
1 773 . 4 1 1 A 81 81 ALA HA H 81 4.364 4.333 0.031 1
1 777 . 4 1 1 A 81 81 ALA C C 81 177.568 177.022 0.546 1
1 778 . 4 1 1 A 81 81 ALA CA C 81 52.989 51.875 1.114 1
1 779 . 4 1 1 A 81 81 ALA CB C 81 19.902 20.456 -0.554 1
1 780 . 4 1 1 A 81 81 ALA N N 81 122.618 123.329 -0.711 1
1 781 . 4 1 1 A 82 82 LYS H H 82 8.155 8.643 -0.488 1
1 782 . 4 1 1 A 82 82 LYS HA H 82 4.313 4.296 0.017 1
1 784 . 4 1 1 A 82 82 LYS C C 82 176.941 175.371 1.570 1
1 785 . 4 1 1 A 82 82 LYS CA C 82 57.023 56.725 0.298 1
1 786 . 4 1 1 A 82 82 LYS CB C 82 33.299 32.052 1.247 1
1 789 . 4 1 1 A 82 82 LYS N N 82 120.345 117.925 2.420 1
1 790 . 4 1 1 A 83 83 LYS H H 83 8.256 8.487 -0.231 1
1 791 . 4 1 1 A 83 83 LYS HA H 83 4.378 4.227 0.151 1
1 794 . 4 1 1 A 83 83 LYS CA C 83 56.618 57.147 -0.529 1
1 795 . 4 1 1 A 83 83 LYS CB C 83 33.767 32.441 1.326 1
1 799 . 4 1 1 A 83 83 LYS N N 83 122.901 122.337 0.564 1
1 6 . 5 1 1 A 2 2 ALA H H 2 8.448 8.077 0.371 1
1 7 . 5 1 1 A 2 2 ALA HA H 2 4.314 3.901 0.413 1
1 11 . 5 1 1 A 2 2 ALA C C 2 177.731 176.930 0.801 1
1 12 . 5 1 1 A 2 2 ALA CA C 2 53.711 54.686 -0.975 1
1 13 . 5 1 1 A 2 2 ALA CB C 2 19.629 18.212 1.417 1
1 14 . 5 1 1 A 2 2 ALA N N 2 125.995 116.839 9.156 1
1 15 . 5 1 1 A 3 3 ALA H H 3 8.148 8.269 -0.121 1
1 16 . 5 1 1 A 3 3 ALA HA H 3 4.292 3.933 0.359 1
1 20 . 5 1 1 A 3 3 ALA C C 3 177.888 177.302 0.586 1
1 21 . 5 1 1 A 3 3 ALA CA C 3 53.439 54.141 -0.702 1
1 22 . 5 1 1 A 3 3 ALA CB C 3 19.671 18.040 1.631 1
1 23 . 5 1 1 A 3 3 ALA N N 3 121.767 120.807 0.960 1
1 24 . 5 1 1 A 4 4 LYS H H 4 8.047 8.820 -0.773 1
1 25 . 5 1 1 A 4 4 LYS HA H 4 4.314 3.814 0.500 1
1 27 . 5 1 1 A 4 4 LYS C C 4 177.363 176.291 1.072 1
1 28 . 5 1 1 A 4 4 LYS CA C 4 57.279 57.030 0.249 1
1 29 . 5 1 1 A 4 4 LYS CB C 4 33.570 30.460 3.110 1
1 33 . 5 1 1 A 4 4 LYS N N 4 119.233 115.636 3.597 1
1 34 . 5 1 1 A 5 5 GLY H H 5 8.317 8.139 0.178 1
1 35 . 5 1 1 A 5 5 GLY HA2 H 5 4.039 4.086 -0.047 1
1 36 . 5 1 1 A 5 5 GLY C C 5 174.706 173.372 1.334 1
1 37 . 5 1 1 A 5 5 GLY CA C 5 46.246 45.715 0.531 1
1 38 . 5 1 1 A 5 5 GLY N N 5 109.070 107.244 1.826 1
1 39 . 5 1 1 A 6 6 THR H H 6 8.002 7.744 0.258 1
1 40 . 5 1 1 A 6 6 THR HA H 6 4.357 4.484 -0.127 1
1 42 . 5 1 1 A 6 6 THR C C 6 174.839 173.933 0.906 1
1 43 . 5 1 1 A 6 6 THR CA C 6 62.444 61.513 0.931 1
1 44 . 5 1 1 A 6 6 THR CB C 6 70.490 68.817 1.673 1
1 46 . 5 1 1 A 6 6 THR N N 6 112.809 113.466 -0.657 1
1 47 . 5 1 1 A 7 7 ALA H H 7 8.309 8.529 -0.220 1
1 48 . 5 1 1 A 7 7 ALA HA H 7 4.322 3.984 0.338 1
1 52 . 5 1 1 A 7 7 ALA C C 7 178.032 179.815 -1.783 1
1 53 . 5 1 1 A 7 7 ALA CA C 7 53.792 55.066 -1.274 1
1 54 . 5 1 1 A 7 7 ALA CB C 7 19.733 18.441 1.292 1
1 55 . 5 1 1 A 7 7 ALA N N 7 125.292 129.208 -3.916 1
1 56 . 5 1 1 A 8 8 GLU H H 8 8.358 7.860 0.498 1
1 57 . 5 1 1 A 8 8 GLU HA H 8 4.297 4.005 0.292 1
1 59 . 5 1 1 A 8 8 GLU C C 8 176.936 176.891 0.045 1
1 60 . 5 1 1 A 8 8 GLU CA C 8 57.618 59.331 -1.713 1
1 61 . 5 1 1 A 8 8 GLU CB C 8 30.792 29.674 1.118 1
1 63 . 5 1 1 A 8 8 GLU N N 8 118.943 118.568 0.375 1
1 64 . 5 1 1 A 9 9 THR H H 9 7.974 7.902 0.072 1
1 65 . 5 1 1 A 9 9 THR HA H 9 4.365 3.834 0.531 1
1 67 . 5 1 1 A 9 9 THR C C 9 174.629 173.589 1.040 1
1 68 . 5 1 1 A 9 9 THR CA C 9 62.617 63.089 -0.472 1
1 69 . 5 1 1 A 9 9 THR CB C 9 70.422 66.364 4.058 1
1 71 . 5 1 1 A 9 9 THR N N 9 113.540 110.520 3.020 1
1 72 . 5 1 1 A 10 10 LYS H H 10 8.242 7.892 0.350 1
1 73 . 5 1 1 A 10 10 LYS HA H 10 4.314 4.394 -0.080 1
1 75 . 5 1 1 A 10 10 LYS C C 10 176.513 175.687 0.826 1
1 76 . 5 1 1 A 10 10 LYS CA C 10 57.173 55.550 1.623 1
1 77 . 5 1 1 A 10 10 LYS CB C 10 33.511 32.597 0.914 1
1 81 . 5 1 1 A 10 10 LYS N N 10 123.339 120.743 2.596 1
1 82 . 5 1 1 A 11 11 GLN H H 11 8.381 8.694 -0.313 1
1 83 . 5 1 1 A 11 11 GLN HA H 11 4.322 4.695 -0.373 1
1 89 . 5 1 1 A 11 11 GLN C C 11 176.073 175.095 0.978 1
1 90 . 5 1 1 A 11 11 GLN CA C 11 56.689 55.311 1.378 1
1 91 . 5 1 1 A 11 11 GLN CB C 11 29.940 30.610 -0.670 1
1 93 . 5 1 1 A 11 11 GLN N N 11 120.885 124.329 -3.444 1
1 95 . 5 1 1 A 12 12 GLU H H 12 8.407 8.752 -0.345 1
1 96 . 5 1 1 A 12 12 GLU HA H 12 4.304 5.116 -0.812 1
1 98 . 5 1 1 A 12 12 GLU C C 12 176.253 176.080 0.173 1
1 99 . 5 1 1 A 12 12 GLU CA C 12 57.536 54.734 2.802 1
1 100 . 5 1 1 A 12 12 GLU CB C 12 30.799 32.505 -1.706 1
1 102 . 5 1 1 A 12 12 GLU N N 12 121.152 118.687 2.465 1
1 103 . 5 1 1 A 13 13 LYS H H 13 8.220 8.964 -0.744 1
1 104 . 5 1 1 A 13 13 LYS HA H 13 4.542 4.346 0.196 1
1 108 . 5 1 1 A 13 13 LYS C C 13 175.856 175.973 -0.117 1
1 109 . 5 1 1 A 13 13 LYS CA C 13 56.335 57.769 -1.434 1
1 110 . 5 1 1 A 13 13 LYS CB C 13 33.863 33.434 0.429 1
1 114 . 5 1 1 A 13 13 LYS N N 13 121.312 126.705 -5.393 1
1 115 . 5 1 1 A 14 14 SER H H 14 8.447 7.970 0.477 1
1 116 . 5 1 1 A 14 14 SER HA H 14 4.639 4.934 -0.295 1
1 119 . 5 1 1 A 14 14 SER C C 14 175.529 175.384 0.145 1
1 120 . 5 1 1 A 14 14 SER CA C 14 58.802 57.344 1.458 1
1 121 . 5 1 1 A 14 14 SER CB C 14 64.803 66.850 -2.047 1
1 122 . 5 1 1 A 14 14 SER N N 14 116.487 110.843 5.644 1
1 123 . 5 1 1 A 15 15 PHE H H 15 8.802 9.027 -0.225 1
1 124 . 5 1 1 A 15 15 PHE HA H 15 4.448 4.351 0.097 1
1 129 . 5 1 1 A 15 15 PHE C C 15 176.935 177.534 -0.599 1
1 130 . 5 1 1 A 15 15 PHE CA C 15 62.188 60.648 1.540 1
1 131 . 5 1 1 A 15 15 PHE CB C 15 39.721 38.145 1.576 1
1 132 . 5 1 1 A 15 15 PHE N N 15 124.339 122.223 2.116 1
1 133 . 5 1 1 A 16 16 VAL H H 16 8.025 7.374 0.651 1
1 134 . 5 1 1 A 16 16 VAL HA H 16 3.490 3.588 -0.098 1
1 142 . 5 1 1 A 16 16 VAL C C 16 177.123 177.206 -0.083 1
1 143 . 5 1 1 A 16 16 VAL CA C 16 67.959 64.663 3.296 1
1 144 . 5 1 1 A 16 16 VAL CB C 16 32.250 30.765 1.485 1
1 147 . 5 1 1 A 16 16 VAL N N 16 118.329 121.093 -2.764 1
1 148 . 5 1 1 A 17 17 ASP H H 17 7.926 7.865 0.061 1
1 149 . 5 1 1 A 17 17 ASP HA H 17 4.354 4.330 0.024 1
1 152 . 5 1 1 A 17 17 ASP C C 17 179.625 178.236 1.389 1
1 153 . 5 1 1 A 17 17 ASP CA C 17 58.204 57.197 1.007 1
1 154 . 5 1 1 A 17 17 ASP CB C 17 41.324 41.180 0.144 1
1 155 . 5 1 1 A 17 17 ASP N N 17 118.753 121.017 -2.264 1
1 156 . 5 1 1 A 18 18 TRP H H 18 8.174 7.822 0.352 1
1 157 . 5 1 1 A 18 18 TRP HA H 18 4.111 4.365 -0.254 1
1 163 . 5 1 1 A 18 18 TRP CA C 18 62.194 60.790 1.404 1
1 164 . 5 1 1 A 18 18 TRP CB C 18 29.150 29.607 -0.457 1
1 165 . 5 1 1 A 18 18 TRP N N 18 122.311 121.591 0.720 1
1 167 . 5 1 1 A 19 19 LEU H H 19 8.517 8.753 -0.236 1
1 168 . 5 1 1 A 19 19 LEU HA H 19 3.447 3.690 -0.243 1
1 178 . 5 1 1 A 19 19 LEU C C 19 179.115 178.698 0.417 1
1 179 . 5 1 1 A 19 19 LEU CA C 19 58.630 58.268 0.362 1
1 180 . 5 1 1 A 19 19 LEU CB C 19 42.676 41.898 0.778 1
1 184 . 5 1 1 A 19 19 LEU N N 19 120.943 121.184 -0.241 1
1 185 . 5 1 1 A 20 20 LEU H H 20 8.713 8.558 0.155 1
1 186 . 5 1 1 A 20 20 LEU HA H 20 3.972 3.979 -0.007 1
1 196 . 5 1 1 A 20 20 LEU C C 20 180.266 178.807 1.459 1
1 197 . 5 1 1 A 20 20 LEU CA C 20 58.318 57.751 0.567 1
1 198 . 5 1 1 A 20 20 LEU CB C 20 41.655 41.747 -0.092 1
1 202 . 5 1 1 A 20 20 LEU N N 20 117.598 119.156 -1.558 1
1 203 . 5 1 1 A 21 21 GLY H H 21 7.783 8.297 -0.514 1
1 204 . 5 1 1 A 21 21 GLY HA2 H 21 3.829 3.944 -0.115 1
1 205 . 5 1 1 A 21 21 GLY C C 21 175.390 175.069 0.321 1
1 206 . 5 1 1 A 21 21 GLY CA C 21 46.978 46.623 0.355 1
1 207 . 5 1 1 A 21 21 GLY N N 21 106.102 107.073 -0.971 1
1 208 . 5 1 1 A 22 22 LYS H H 22 7.443 8.124 -0.681 1
1 209 . 5 1 1 A 22 22 LYS HA H 22 4.090 4.231 -0.141 1
1 217 . 5 1 1 A 22 22 LYS C C 22 177.806 177.858 -0.052 1
1 218 . 5 1 1 A 22 22 LYS CA C 22 56.974 58.079 -1.105 1
1 219 . 5 1 1 A 22 22 LYS CB C 22 32.718 32.652 0.066 1
1 223 . 5 1 1 A 22 22 LYS N N 22 118.883 119.960 -1.077 1
1 224 . 5 1 1 A 23 23 ILE H H 23 7.550 7.695 -0.145 1
1 225 . 5 1 1 A 23 23 ILE HA H 23 4.165 4.089 0.076 1
1 235 . 5 1 1 A 23 23 ILE C C 23 175.996 176.526 -0.530 1
1 236 . 5 1 1 A 23 23 ILE CA C 23 62.916 62.581 0.335 1
1 237 . 5 1 1 A 23 23 ILE CB C 23 39.444 38.410 1.034 1
1 241 . 5 1 1 A 23 23 ILE N N 23 114.457 117.518 -3.061 1
1 242 . 5 1 1 A 24 24 THR H H 24 7.778 7.652 0.126 1
1 243 . 5 1 1 A 24 24 THR HA H 24 4.379 4.530 -0.151 1
1 248 . 5 1 1 A 24 24 THR C C 24 174.616 173.948 0.668 1
1 249 . 5 1 1 A 24 24 THR CA C 24 62.699 61.712 0.987 1
1 250 . 5 1 1 A 24 24 THR CB C 24 70.567 68.771 1.796 1
1 252 . 5 1 1 A 24 24 THR N N 24 113.224 115.386 -2.162 1
1 253 . 5 1 1 A 25 25 LYS H H 25 7.956 8.207 -0.251 1
1 259 . 5 1 1 A 25 25 LYS CA C 25 56.696 57.602 -0.906 1
1 260 . 5 1 1 A 25 25 LYS CB C 25 33.428 30.310 3.118 1
1 262 . 5 1 1 A 25 25 LYS N N 25 122.468 118.125 4.343 1
1 263 . 5 1 1 A 26 26 GLU H H 26 8.392 8.191 0.201 1
1 264 . 5 1 1 A 26 26 GLU HA H 26 4.230 4.270 -0.040 1
1 268 . 5 1 1 A 26 26 GLU C C 26 176.320 175.373 0.947 1
1 269 . 5 1 1 A 26 26 GLU CA C 26 57.616 57.838 -0.222 1
1 270 . 5 1 1 A 26 26 GLU CB C 26 30.854 28.707 2.147 1
1 272 . 5 1 1 A 26 26 GLU N N 26 121.068 115.900 5.168 1
1 273 . 5 1 1 A 27 27 ASP H H 27 8.299 8.473 -0.174 1
1 274 . 5 1 1 A 27 27 ASP HA H 27 4.496 4.367 0.129 1
1 276 . 5 1 1 A 27 27 ASP C C 27 175.931 175.273 0.658 1
1 277 . 5 1 1 A 27 27 ASP CA C 27 55.161 55.017 0.144 1
1 278 . 5 1 1 A 27 27 ASP CB C 27 41.532 39.285 2.247 1
1 279 . 5 1 1 A 27 27 ASP N N 27 119.412 118.072 1.340 1
1 280 . 5 1 1 A 28 28 GLN H H 28 8.108 7.732 0.376 1
1 281 . 5 1 1 A 28 28 GLN HA H 28 4.215 4.552 -0.337 1
1 286 . 5 1 1 A 28 28 GLN C C 28 175.845 176.367 -0.522 1
1 287 . 5 1 1 A 28 28 GLN CA C 28 56.559 56.344 0.215 1
1 288 . 5 1 1 A 28 28 GLN CB C 28 30.105 30.475 -0.370 1
1 290 . 5 1 1 A 28 28 GLN N N 28 119.037 118.682 0.355 1
1 292 . 5 1 1 A 29 29 PHE H H 29 8.235 8.845 -0.610 1
1 293 . 5 1 1 A 29 29 PHE HA H 29 4.514 5.048 -0.534 1
1 299 . 5 1 1 A 29 29 PHE C C 29 175.361 175.698 -0.337 1
1 300 . 5 1 1 A 29 29 PHE CA C 29 58.810 56.685 2.125 1
1 301 . 5 1 1 A 29 29 PHE CB C 29 40.000 39.890 0.110 1
1 302 . 5 1 1 A 29 29 PHE N N 29 120.622 117.986 2.636 1
1 303 . 5 1 1 A 30 30 TYR H H 30 7.715 7.676 0.039 1
1 304 . 5 1 1 A 30 30 TYR HA H 30 4.508 4.105 0.403 1
1 310 . 5 1 1 A 30 30 TYR C C 30 175.416 176.337 -0.921 1
1 311 . 5 1 1 A 30 30 TYR CA C 30 58.544 58.451 0.093 1
1 312 . 5 1 1 A 30 30 TYR CB C 30 39.613 39.326 0.287 1
1 313 . 5 1 1 A 30 30 TYR N N 30 119.864 121.687 -1.823 1
1 314 . 5 1 1 A 31 31 GLU H H 31 8.187 8.777 -0.590 1
1 315 . 5 1 1 A 31 31 GLU HA H 31 4.293 3.923 0.370 1
1 319 . 5 1 1 A 31 31 GLU C C 31 176.148 176.458 -0.310 1
1 320 . 5 1 1 A 31 31 GLU CA C 31 57.172 57.447 -0.275 1
1 321 . 5 1 1 A 31 31 GLU CB C 31 30.845 28.442 2.403 1
1 323 . 5 1 1 A 31 31 GLU N N 31 121.546 118.725 2.821 1
1 324 . 5 1 1 A 32 32 THR H H 32 7.864 7.641 0.223 1
1 325 . 5 1 1 A 32 32 THR HA H 32 4.359 4.407 -0.048 1
1 330 . 5 1 1 A 32 32 THR C C 32 173.970 174.084 -0.114 1
1 331 . 5 1 1 A 32 32 THR CA C 32 62.043 61.902 0.141 1
1 332 . 5 1 1 A 32 32 THR CB C 32 70.721 69.214 1.507 1
1 334 . 5 1 1 A 32 32 THR N N 32 113.695 112.974 0.721 1
1 335 . 5 1 1 A 33 33 ASP H H 33 8.317 7.883 0.434 1
1 336 . 5 1 1 A 33 33 ASP HA H 33 4.880 5.116 -0.236 1
1 339 . 5 1 1 A 33 33 ASP CA C 33 53.661 51.570 2.091 1
1 340 . 5 1 1 A 33 33 ASP CB C 33 41.474 41.676 -0.202 1
1 341 . 5 1 1 A 33 33 ASP N N 33 123.601 121.958 1.643 1
1 342 . 5 1 1 A 34 34 PRO HA H 34 4.408 4.685 -0.277 1
1 348 . 5 1 1 A 34 34 PRO C C 34 174.420 175.916 -1.496 1
1 349 . 5 1 1 A 34 34 PRO CA C 34 64.164 62.532 1.632 1
1 350 . 5 1 1 A 34 34 PRO CB C 34 32.774 30.479 2.295 1
1 353 . 5 1 1 A 35 35 ILE H H 35 8.143 7.817 0.326 1
1 354 . 5 1 1 A 35 35 ILE HA H 35 4.046 5.104 -1.058 1
1 364 . 5 1 1 A 35 35 ILE C C 35 176.474 174.887 1.587 1
1 365 . 5 1 1 A 35 35 ILE CA C 35 62.937 59.057 3.880 1
1 366 . 5 1 1 A 35 35 ILE CB C 35 39.275 42.262 -2.987 1
1 370 . 5 1 1 A 35 35 ILE N N 35 120.322 117.540 2.782 1
1 371 . 5 1 1 A 36 36 LEU H H 36 7.975 8.458 -0.483 1
1 372 . 5 1 1 A 36 36 LEU HA H 36 4.398 4.479 -0.081 1
1 381 . 5 1 1 A 36 36 LEU C C 36 177.299 177.971 -0.672 1
1 382 . 5 1 1 A 36 36 LEU CA C 36 56.022 56.012 0.010 1
1 383 . 5 1 1 A 36 36 LEU CB C 36 42.837 42.973 -0.136 1
1 387 . 5 1 1 A 36 36 LEU N N 36 121.023 120.751 0.272 1
1 388 . 5 1 1 A 37 37 ARG H H 37 7.932 8.244 -0.312 1
1 389 . 5 1 1 A 37 37 ARG HA H 37 4.345 4.505 -0.160 1
1 395 . 5 1 1 A 37 37 ARG C C 37 176.869 176.689 0.180 1
1 396 . 5 1 1 A 37 37 ARG CA C 37 56.912 55.974 0.938 1
1 397 . 5 1 1 A 37 37 ARG CB C 37 31.127 32.285 -1.158 1
1 400 . 5 1 1 A 37 37 ARG N N 37 118.673 114.796 3.877 1
1 402 . 5 1 1 A 38 38 GLY H H 38 8.271 7.583 0.688 1
1 403 . 5 1 1 A 38 38 GLY HA2 H 38 3.986 3.942 0.044 1
1 404 . 5 1 1 A 38 38 GLY C C 38 174.864 175.170 -0.306 1
1 405 . 5 1 1 A 38 38 GLY CA C 38 46.258 45.459 0.799 1
1 406 . 5 1 1 A 38 38 GLY N N 38 108.377 105.778 2.599 1
1 407 . 5 1 1 A 39 39 GLY H H 39 8.218 8.471 -0.253 1
1 408 . 5 1 1 A 39 39 GLY HA2 H 39 3.998 3.990 0.008 1
1 409 . 5 1 1 A 39 39 GLY C C 39 174.158 173.493 0.665 1
1 410 . 5 1 1 A 39 39 GLY CA C 39 46.187 46.532 -0.345 1
1 411 . 5 1 1 A 39 39 GLY N N 39 108.485 107.510 0.975 1
1 412 . 5 1 1 A 40 40 ASP H H 40 8.274 8.651 -0.377 1
1 413 . 5 1 1 A 40 40 ASP HA H 40 4.699 4.849 -0.150 1
1 415 . 5 1 1 A 40 40 ASP C C 40 176.791 176.907 -0.116 1
1 416 . 5 1 1 A 40 40 ASP CA C 40 55.105 54.885 0.220 1
1 417 . 5 1 1 A 40 40 ASP CB C 40 41.715 43.439 -1.724 1
1 418 . 5 1 1 A 40 40 ASP N N 40 120.261 123.672 -3.411 1
1 419 . 5 1 1 A 41 41 VAL H H 41 8.071 8.107 -0.036 1
1 420 . 5 1 1 A 41 41 VAL HA H 41 3.993 3.926 0.067 1
1 425 . 5 1 1 A 41 41 VAL C C 41 176.869 176.163 0.706 1
1 426 . 5 1 1 A 41 41 VAL CA C 41 64.502 64.185 0.317 1
1 427 . 5 1 1 A 41 41 VAL CB C 41 32.773 32.087 0.686 1
1 429 . 5 1 1 A 41 41 VAL N N 41 120.111 119.630 0.481 1
1 430 . 5 1 1 A 42 42 LYS H H 42 8.213 7.789 0.424 1
1 431 . 5 1 1 A 42 42 LYS HA H 42 4.299 4.321 -0.022 1
1 434 . 5 1 1 A 42 42 LYS C C 42 177.041 176.080 0.961 1
1 435 . 5 1 1 A 42 42 LYS CA C 42 57.639 56.742 0.897 1
1 436 . 5 1 1 A 42 42 LYS CB C 42 33.227 33.516 -0.289 1
1 440 . 5 1 1 A 42 42 LYS N N 42 121.557 122.580 -1.023 1
1 441 . 5 1 1 A 43 43 SER H H 43 8.126 8.591 -0.465 1
1 442 . 5 1 1 A 43 43 SER HA H 43 4.452 4.995 -0.543 1
1 444 . 5 1 1 A 43 43 SER C C 43 175.085 172.121 2.964 1
1 445 . 5 1 1 A 43 43 SER CA C 43 59.403 57.417 1.986 1
1 446 . 5 1 1 A 43 43 SER CB C 43 64.208 66.495 -2.287 1
1 447 . 5 1 1 A 43 43 SER N N 43 115.295 115.604 -0.309 1
1 448 . 5 1 1 A 44 44 SER H H 44 8.251 8.263 -0.012 1
1 449 . 5 1 1 A 44 44 SER HA H 44 4.479 5.259 -0.780 1
1 451 . 5 1 1 A 44 44 SER C C 44 175.331 173.415 1.916 1
1 452 . 5 1 1 A 44 44 SER CA C 44 59.701 56.975 2.726 1
1 453 . 5 1 1 A 44 44 SER CB C 44 64.453 67.076 -2.623 1
1 454 . 5 1 1 A 44 44 SER N N 44 117.357 114.917 2.440 1
1 455 . 5 1 1 A 45 45 GLY H H 45 8.401 8.313 0.088 1
1 456 . 5 1 1 A 45 45 GLY HA2 H 45 4.030 4.184 -0.154 1
1 457 . 5 1 1 A 45 45 GLY C C 45 174.472 173.104 1.368 1
1 458 . 5 1 1 A 45 45 GLY CA C 45 46.258 45.857 0.401 1
1 459 . 5 1 1 A 45 45 GLY N N 45 110.523 109.811 0.712 1
1 460 . 5 1 1 A 46 46 SER H H 46 8.177 8.939 -0.762 1
1 461 . 5 1 1 A 46 46 SER HA H 46 4.536 4.128 0.408 1
1 463 . 5 1 1 A 46 46 SER C C 46 175.206 173.919 1.287 1
1 464 . 5 1 1 A 46 46 SER CA C 46 59.244 60.525 -1.281 1
1 465 . 5 1 1 A 46 46 SER CB C 46 64.484 62.411 2.073 1
1 466 . 5 1 1 A 46 46 SER N N 46 115.297 116.200 -0.903 1
1 467 . 5 1 1 A 47 47 THR H H 47 8.198 8.369 -0.171 1
1 468 . 5 1 1 A 47 47 THR HA H 47 4.432 3.862 0.570 1
1 470 . 5 1 1 A 47 47 THR C C 47 174.939 173.203 1.736 1
1 471 . 5 1 1 A 47 47 THR CA C 47 62.746 62.348 0.398 1
1 472 . 5 1 1 A 47 47 THR CB C 47 70.246 66.917 3.329 1
1 474 . 5 1 1 A 47 47 THR N N 47 114.635 112.633 2.002 1
1 475 . 5 1 1 A 48 48 SER H H 48 8.228 7.895 0.333 1
1 476 . 5 1 1 A 48 48 SER HA H 48 4.473 5.005 -0.532 1
1 478 . 5 1 1 A 48 48 SER C C 48 175.241 174.216 1.025 1
1 479 . 5 1 1 A 48 48 SER CA C 48 59.480 56.117 3.363 1
1 480 . 5 1 1 A 48 48 SER CB C 48 64.429 65.682 -1.253 1
1 481 . 5 1 1 A 48 48 SER N N 48 117.146 113.486 3.660 1
1 482 . 5 1 1 A 49 49 GLY H H 49 8.342 8.588 -0.246 1
1 483 . 5 1 1 A 49 49 GLY HA2 H 49 4.048 4.037 0.011 1
1 484 . 5 1 1 A 49 49 GLY C C 49 174.776 174.944 -0.168 1
1 485 . 5 1 1 A 49 49 GLY CA C 49 46.233 46.448 -0.215 1
1 486 . 5 1 1 A 49 49 GLY N N 49 110.627 110.685 -0.058 1
1 487 . 5 1 1 A 50 50 LYS H H 50 8.124 8.226 -0.102 1
1 488 . 5 1 1 A 50 50 LYS HA H 50 4.302 4.355 -0.053 1
1 490 . 5 1 1 A 50 50 LYS C C 50 176.932 176.743 0.189 1
1 491 . 5 1 1 A 50 50 LYS CA C 50 57.333 57.967 -0.634 1
1 492 . 5 1 1 A 50 50 LYS CB C 50 33.497 33.033 0.464 1
1 496 . 5 1 1 A 50 50 LYS N N 50 120.037 117.389 2.648 1
1 497 . 5 1 1 A 51 51 LYS H H 51 8.089 7.813 0.276 1
1 498 . 5 1 1 A 51 51 LYS HA H 51 4.325 4.676 -0.351 1
1 500 . 5 1 1 A 51 51 LYS C C 51 177.169 174.908 2.261 1
1 501 . 5 1 1 A 51 51 LYS CA C 51 57.251 55.015 2.236 1
1 502 . 5 1 1 A 51 51 LYS CB C 51 33.293 36.060 -2.767 1
1 506 . 5 1 1 A 51 51 LYS N N 51 120.805 113.521 7.284 1
1 507 . 5 1 1 A 52 52 GLY H H 52 8.304 8.555 -0.251 1
1 508 . 5 1 1 A 52 52 GLY HA2 H 52 4.005 4.205 -0.200 1
1 509 . 5 1 1 A 52 52 GLY C C 52 174.545 173.400 1.145 1
1 510 . 5 1 1 A 52 52 GLY CA C 52 46.250 45.630 0.620 1
1 511 . 5 1 1 A 52 52 GLY N N 52 109.109 107.784 1.325 1
1 512 . 5 1 1 A 53 53 GLY H H 53 8.201 8.359 -0.158 1
1 513 . 5 1 1 A 53 53 GLY HA2 H 53 4.051 4.188 -0.137 1
1 514 . 5 1 1 A 53 53 GLY C C 53 174.771 172.785 1.986 1
1 515 . 5 1 1 A 53 53 GLY CA C 53 46.204 45.679 0.525 1
1 516 . 5 1 1 A 53 53 GLY N N 53 108.474 110.086 -1.612 1
1 517 . 5 1 1 A 54 54 THR H H 54 8.115 8.352 -0.237 1
1 518 . 5 1 1 A 54 54 THR HA H 54 4.442 5.260 -0.818 1
1 522 . 5 1 1 A 54 54 THR C C 54 175.190 173.660 1.530 1
1 523 . 5 1 1 A 54 54 THR CA C 54 62.904 60.454 2.450 1
1 524 . 5 1 1 A 54 54 THR CB C 54 70.261 71.167 -0.906 1
1 525 . 5 1 1 A 54 54 THR N N 54 113.386 111.337 2.049 1
1 526 . 5 1 1 A 55 55 THR H H 55 8.158 8.845 -0.687 1
1 527 . 5 1 1 A 55 55 THR HA H 55 4.452 4.821 -0.369 1
1 531 . 5 1 1 A 55 55 THR C C 55 175.050 173.161 1.889 1
1 532 . 5 1 1 A 55 55 THR CA C 55 62.740 61.355 1.385 1
1 533 . 5 1 1 A 55 55 THR CB C 55 70.171 68.273 1.898 1
1 535 . 5 1 1 A 55 55 THR N N 55 114.825 121.711 -6.886 1
1 536 . 5 1 1 A 56 56 SER H H 56 8.233 8.197 0.036 1
1 537 . 5 1 1 A 56 56 SER HA H 56 4.484 4.866 -0.382 1
1 539 . 5 1 1 A 56 56 SER C C 56 175.314 172.731 2.583 1
1 540 . 5 1 1 A 56 56 SER CA C 56 59.419 57.822 1.597 1
1 541 . 5 1 1 A 56 56 SER CB C 56 64.576 65.578 -1.002 1
1 542 . 5 1 1 A 56 56 SER N N 56 117.144 120.282 -3.138 1
1 543 . 5 1 1 A 57 57 GLY H H 57 8.340 8.465 -0.125 1
1 544 . 5 1 1 A 57 57 GLY HA2 H 57 4.043 4.113 -0.070 1
1 545 . 5 1 1 A 57 57 GLY C C 57 176.801 174.119 2.682 1
1 546 . 5 1 1 A 57 57 GLY CA C 57 45.927 45.250 0.677 1
1 547 . 5 1 1 A 57 57 GLY N N 57 110.613 111.963 -1.350 1
1 548 . 5 1 1 A 58 58 LYS H H 58 8.125 8.202 -0.077 1
1 549 . 5 1 1 A 58 58 LYS HA H 58 4.313 4.003 0.310 1
1 554 . 5 1 1 A 58 58 LYS C C 58 176.220 176.474 -0.254 1
1 555 . 5 1 1 A 58 58 LYS CA C 58 57.524 56.743 0.781 1
1 556 . 5 1 1 A 58 58 LYS CB C 58 33.485 31.048 2.437 1
1 560 . 5 1 1 A 58 58 LYS N N 58 120.526 114.168 6.358 1
1 561 . 5 1 1 A 59 59 LYS H H 59 8.227 8.077 0.150 1
1 562 . 5 1 1 A 59 59 LYS HA H 59 4.202 4.487 -0.285 1
1 567 . 5 1 1 A 59 59 LYS C C 59 177.075 177.862 -0.787 1
1 568 . 5 1 1 A 59 59 LYS CA C 59 58.240 56.065 2.175 1
1 569 . 5 1 1 A 59 59 LYS CB C 59 33.354 34.211 -0.857 1
1 573 . 5 1 1 A 59 59 LYS N N 59 121.098 120.772 0.326 1
1 574 . 5 1 1 A 60 60 GLY H H 60 8.337 8.116 0.221 1
1 575 . 5 1 1 A 60 60 GLY HA2 H 60 4.047 4.045 0.002 1
1 576 . 5 1 1 A 60 60 GLY C C 60 174.631 174.522 0.109 1
1 577 . 5 1 1 A 60 60 GLY CA C 60 46.282 45.394 0.888 1
1 578 . 5 1 1 A 60 60 GLY N N 60 109.436 109.145 0.291 1
1 579 . 5 1 1 A 61 61 THR H H 61 7.947 7.900 0.047 1
1 580 . 5 1 1 A 61 61 THR HA H 61 4.396 4.465 -0.069 1
1 585 . 5 1 1 A 61 61 THR C C 61 174.470 174.701 -0.231 1
1 586 . 5 1 1 A 61 61 THR CA C 61 62.795 61.655 1.140 1
1 587 . 5 1 1 A 61 61 THR CB C 61 70.637 68.789 1.848 1
1 589 . 5 1 1 A 61 61 THR N N 61 112.095 112.138 -0.043 1
1 590 . 5 1 1 A 62 62 VAL H H 62 7.788 8.074 -0.286 1
1 591 . 5 1 1 A 62 62 VAL HA H 62 4.243 4.338 -0.095 1
1 596 . 5 1 1 A 62 62 VAL CA C 62 62.733 63.752 -1.019 1
1 597 . 5 1 1 A 62 62 VAL CB C 62 33.693 33.355 0.338 1
1 599 . 5 1 1 A 62 62 VAL N N 62 120.973 121.397 -0.424 1
1 600 . 5 1 1 A 63 63 SER H H 63 8.052 7.784 0.268 1
1 601 . 5 1 1 A 63 63 SER HA H 63 4.665 4.718 -0.053 1
1 604 . 5 1 1 A 63 63 SER CA C 63 57.747 56.809 0.938 1
1 605 . 5 1 1 A 63 63 SER CB C 63 64.991 63.099 1.892 1
1 606 . 5 1 1 A 63 63 SER N N 63 119.427 115.434 3.993 1
1 607 . 5 1 1 A 64 64 ILE H H 64 8.191 7.832 0.359 1
1 608 . 5 1 1 A 64 64 ILE HA H 64 4.313 4.900 -0.587 1
1 617 . 5 1 1 A 64 64 ILE CA C 64 59.873 57.550 2.323 1
1 618 . 5 1 1 A 64 64 ILE CB C 64 38.818 40.420 -1.602 1
1 621 . 5 1 1 A 64 64 ILE N N 64 122.947 119.648 3.299 1
1 622 . 5 1 1 A 65 65 PRO HA H 65 4.466 4.487 -0.021 1
1 628 . 5 1 1 A 65 65 PRO CA C 65 64.303 63.725 0.578 1
1 629 . 5 1 1 A 65 65 PRO CB C 65 32.672 31.869 0.803 1
1 632 . 5 1 1 A 66 66 SER H H 66 8.002 8.164 -0.162 1
1 633 . 5 1 1 A 66 66 SER HA H 66 4.498 4.065 0.433 1
1 635 . 5 1 1 A 66 66 SER CA C 66 58.702 59.382 -0.680 1
1 636 . 5 1 1 A 66 66 SER CB C 66 64.819 61.599 3.220 1
1 637 . 5 1 1 A 66 66 SER N N 66 112.889 112.564 0.325 1
1 638 . 5 1 1 A 67 67 LYS H H 67 8.137 8.352 -0.215 1
1 639 . 5 1 1 A 67 67 LYS HA H 67 4.347 4.378 -0.031 1
1 641 . 5 1 1 A 67 67 LYS C C 67 176.555 175.796 0.759 1
1 642 . 5 1 1 A 67 67 LYS CA C 67 57.061 57.729 -0.668 1
1 643 . 5 1 1 A 67 67 LYS CB C 67 33.669 31.400 2.269 1
1 647 . 5 1 1 A 67 67 LYS N N 67 122.114 113.136 8.978 1
1 648 . 5 1 1 A 68 68 LYS H H 68 8.118 8.487 -0.369 1
1 649 . 5 1 1 A 68 68 LYS HA H 68 4.322 4.227 0.095 1
1 651 . 5 1 1 A 68 68 LYS C C 68 176.446 177.004 -0.558 1
1 652 . 5 1 1 A 68 68 LYS CA C 68 57.043 56.494 0.549 1
1 653 . 5 1 1 A 68 68 LYS CB C 68 33.531 32.411 1.120 1
1 657 . 5 1 1 A 68 68 LYS N N 68 121.435 122.419 -0.984 1
1 658 . 5 1 1 A 69 69 LYS H H 69 8.394 8.691 -0.297 1
1 659 . 5 1 1 A 69 69 LYS HA H 69 4.351 3.921 0.430 1
1 663 . 5 1 1 A 69 69 LYS C C 69 175.623 176.083 -0.460 1
1 664 . 5 1 1 A 69 69 LYS CA C 69 56.762 59.477 -2.715 1
1 665 . 5 1 1 A 69 69 LYS CB C 69 33.782 32.369 1.413 1
1 669 . 5 1 1 A 69 69 LYS N N 69 121.052 123.929 -2.877 1
1 670 . 5 1 1 A 70 70 ASN H H 70 8.014 8.097 -0.083 1
1 671 . 5 1 1 A 70 70 ASN HA H 70 4.515 4.622 -0.107 1
1 675 . 5 1 1 A 70 70 ASN CA C 70 55.331 55.284 0.047 1
1 676 . 5 1 1 A 70 70 ASN CB C 70 41.478 37.344 4.134 1
1 677 . 5 1 1 A 70 70 ASN N N 70 125.005 116.808 8.197 1
1 679 . 5 1 1 A 71 71 GLY H H 71 8.255 8.427 -0.172 1
1 680 . 5 1 1 A 71 71 GLY HA2 H 71 3.986 4.153 -0.167 1
1 681 . 5 1 1 A 71 71 GLY C C 71 174.458 173.578 0.880 1
1 682 . 5 1 1 A 71 71 GLY CA C 71 46.110 45.227 0.883 1
1 683 . 5 1 1 A 71 71 GLY N N 71 114.247 108.250 5.997 1
1 684 . 5 1 1 A 72 72 ASN H H 72 8.462 8.468 -0.006 1
1 685 . 5 1 1 A 72 72 ASN HA H 72 4.796 4.956 -0.160 1
1 689 . 5 1 1 A 72 72 ASN C C 72 175.757 175.791 -0.034 1
1 690 . 5 1 1 A 72 72 ASN CA C 72 53.882 52.012 1.870 1
1 691 . 5 1 1 A 72 72 ASN CB C 72 39.885 38.830 1.055 1
1 692 . 5 1 1 A 72 72 ASN N N 72 118.314 120.173 -1.859 1
1 694 . 5 1 1 A 73 73 GLY H H 73 8.469 8.089 0.380 1
1 695 . 5 1 1 A 73 73 GLY HA2 H 73 3.968 3.957 0.011 1
1 696 . 5 1 1 A 73 73 GLY C C 73 174.791 173.978 0.813 1
1 697 . 5 1 1 A 73 73 GLY CA C 73 46.247 45.496 0.751 1
1 698 . 5 1 1 A 73 73 GLY N N 73 109.019 110.166 -1.147 1
1 699 . 5 1 1 A 74 74 GLY H H 74 7.946 8.446 -0.500 1
1 700 . 5 1 1 A 74 74 GLY HA2 H 74 4.112 4.003 0.109 1
1 701 . 5 1 1 A 74 74 GLY HA3 H 74 4.177 4.035 0.142 1
1 702 . 5 1 1 A 74 74 GLY C C 74 175.399 174.701 0.698 1
1 703 . 5 1 1 A 74 74 GLY CA C 74 45.825 44.091 1.734 1
1 704 . 5 1 1 A 74 74 GLY N N 74 108.672 110.154 -1.482 1
1 705 . 5 1 1 A 75 75 VAL H H 75 8.168 8.532 -0.364 1
1 706 . 5 1 1 A 75 75 VAL HA H 75 3.881 4.166 -0.285 1
1 714 . 5 1 1 A 75 75 VAL C C 75 176.466 175.916 0.550 1
1 715 . 5 1 1 A 75 75 VAL CA C 75 64.845 63.683 1.162 1
1 716 . 5 1 1 A 75 75 VAL CB C 75 32.811 33.209 -0.398 1
1 719 . 5 1 1 A 75 75 VAL N N 75 119.832 122.338 -2.506 1
1 720 . 5 1 1 A 76 76 PHE H H 76 8.138 7.708 0.430 1
1 721 . 5 1 1 A 76 76 PHE HA H 76 4.664 4.624 0.040 1
1 729 . 5 1 1 A 76 76 PHE C C 76 176.775 177.413 -0.638 1
1 730 . 5 1 1 A 76 76 PHE CA C 76 58.810 57.352 1.458 1
1 731 . 5 1 1 A 76 76 PHE CB C 76 39.177 40.764 -1.587 1
1 732 . 5 1 1 A 76 76 PHE N N 76 118.007 120.615 -2.608 1
1 733 . 5 1 1 A 77 77 GLY H H 77 8.080 8.543 -0.463 1
1 734 . 5 1 1 A 77 77 GLY HA2 H 77 3.948 3.868 0.080 1
1 735 . 5 1 1 A 77 77 GLY C C 77 175.581 174.941 0.640 1
1 736 . 5 1 1 A 77 77 GLY CA C 77 47.292 47.245 0.047 1
1 737 . 5 1 1 A 77 77 GLY N N 77 107.115 110.388 -3.273 1
1 738 . 5 1 1 A 78 78 GLY H H 78 8.136 7.737 0.399 1
1 739 . 5 1 1 A 78 78 GLY HA2 H 78 4.011 4.199 -0.188 1
1 740 . 5 1 1 A 78 78 GLY C C 78 175.337 174.755 0.582 1
1 741 . 5 1 1 A 78 78 GLY CA C 78 46.315 45.967 0.348 1
1 742 . 5 1 1 A 78 78 GLY N N 78 108.462 105.521 2.941 1
1 743 . 5 1 1 A 79 79 LEU H H 79 7.641 8.366 -0.725 1
1 744 . 5 1 1 A 79 79 LEU HA H 79 4.022 4.371 -0.349 1
1 753 . 5 1 1 A 79 79 LEU C C 79 177.256 177.924 -0.668 1
1 754 . 5 1 1 A 79 79 LEU CA C 79 57.813 56.032 1.781 1
1 755 . 5 1 1 A 79 79 LEU CB C 79 43.316 42.782 0.534 1
1 759 . 5 1 1 A 79 79 LEU N N 79 121.664 120.216 1.448 1
1 760 . 5 1 1 A 80 80 PHE H H 80 7.944 8.014 -0.070 1
1 761 . 5 1 1 A 80 80 PHE HA H 80 4.633 4.588 0.045 1
1 768 . 5 1 1 A 80 80 PHE C C 80 175.433 176.309 -0.876 1
1 769 . 5 1 1 A 80 80 PHE CA C 80 58.208 57.975 0.233 1
1 770 . 5 1 1 A 80 80 PHE CB C 80 39.615 38.346 1.269 1
1 771 . 5 1 1 A 80 80 PHE N N 80 114.796 118.103 -3.307 1
1 772 . 5 1 1 A 81 81 ALA H H 81 7.611 7.919 -0.308 1
1 773 . 5 1 1 A 81 81 ALA HA H 81 4.364 4.480 -0.116 1
1 777 . 5 1 1 A 81 81 ALA C C 81 177.568 177.393 0.175 1
1 778 . 5 1 1 A 81 81 ALA CA C 81 52.989 52.883 0.106 1
1 779 . 5 1 1 A 81 81 ALA CB C 81 19.902 20.683 -0.781 1
1 780 . 5 1 1 A 81 81 ALA N N 81 122.618 120.982 1.636 1
1 781 . 5 1 1 A 82 82 LYS H H 82 8.155 7.674 0.481 1
1 782 . 5 1 1 A 82 82 LYS HA H 82 4.313 3.912 0.401 1
1 784 . 5 1 1 A 82 82 LYS C C 82 176.941 176.165 0.776 1
1 785 . 5 1 1 A 82 82 LYS CA C 82 57.023 57.287 -0.264 1
1 786 . 5 1 1 A 82 82 LYS CB C 82 33.299 32.647 0.652 1
1 789 . 5 1 1 A 82 82 LYS N N 82 120.345 119.086 1.259 1
1 790 . 5 1 1 A 83 83 LYS H H 83 8.256 8.552 -0.296 1
1 791 . 5 1 1 A 83 83 LYS HA H 83 4.378 4.144 0.234 1
1 794 . 5 1 1 A 83 83 LYS CA C 83 56.618 58.131 -1.513 1
1 795 . 5 1 1 A 83 83 LYS CB C 83 33.767 31.785 1.982 1
1 799 . 5 1 1 A 83 83 LYS N N 83 122.901 125.569 -2.668 1
1 6 . 6 1 1 A 2 2 ALA H H 2 8.448 7.905 0.543 1
1 7 . 6 1 1 A 2 2 ALA HA H 2 4.314 3.977 0.337 1
1 11 . 6 1 1 A 2 2 ALA C C 2 177.731 176.125 1.606 1
1 12 . 6 1 1 A 2 2 ALA CA C 2 53.711 52.887 0.824 1
1 13 . 6 1 1 A 2 2 ALA CB C 2 19.629 17.189 2.440 1
1 14 . 6 1 1 A 2 2 ALA N N 2 125.995 121.812 4.183 1
1 15 . 6 1 1 A 3 3 ALA H H 3 8.148 7.711 0.437 1
1 16 . 6 1 1 A 3 3 ALA HA H 3 4.292 4.690 -0.398 1
1 20 . 6 1 1 A 3 3 ALA C C 3 177.888 176.589 1.299 1
1 21 . 6 1 1 A 3 3 ALA CA C 3 53.439 50.802 2.637 1
1 22 . 6 1 1 A 3 3 ALA CB C 3 19.671 21.353 -1.682 1
1 23 . 6 1 1 A 3 3 ALA N N 3 121.767 118.229 3.538 1
1 24 . 6 1 1 A 4 4 LYS H H 4 8.047 8.983 -0.936 1
1 25 . 6 1 1 A 4 4 LYS HA H 4 4.314 4.467 -0.153 1
1 27 . 6 1 1 A 4 4 LYS C C 4 177.363 176.142 1.221 1
1 28 . 6 1 1 A 4 4 LYS CA C 4 57.279 57.078 0.201 1
1 29 . 6 1 1 A 4 4 LYS CB C 4 33.570 35.172 -1.602 1
1 33 . 6 1 1 A 4 4 LYS N N 4 119.233 119.714 -0.481 1
1 34 . 6 1 1 A 5 5 GLY H H 5 8.317 7.695 0.622 1
1 35 . 6 1 1 A 5 5 GLY HA2 H 5 4.039 4.086 -0.047 1
1 36 . 6 1 1 A 5 5 GLY C C 5 174.706 173.861 0.845 1
1 37 . 6 1 1 A 5 5 GLY CA C 5 46.246 44.897 1.349 1
1 38 . 6 1 1 A 5 5 GLY N N 5 109.070 106.629 2.441 1
1 39 . 6 1 1 A 6 6 THR H H 6 8.002 8.751 -0.749 1
1 40 . 6 1 1 A 6 6 THR HA H 6 4.357 4.095 0.262 1
1 42 . 6 1 1 A 6 6 THR C C 6 174.839 174.895 -0.056 1
1 43 . 6 1 1 A 6 6 THR CA C 6 62.444 62.889 -0.445 1
1 44 . 6 1 1 A 6 6 THR CB C 6 70.490 66.490 4.000 1
1 46 . 6 1 1 A 6 6 THR N N 6 112.809 116.327 -3.518 1
1 47 . 6 1 1 A 7 7 ALA H H 7 8.309 8.086 0.223 1
1 48 . 6 1 1 A 7 7 ALA HA H 7 4.322 4.303 0.019 1
1 52 . 6 1 1 A 7 7 ALA C C 7 178.032 177.862 0.170 1
1 53 . 6 1 1 A 7 7 ALA CA C 7 53.792 54.268 -0.476 1
1 54 . 6 1 1 A 7 7 ALA CB C 7 19.733 19.430 0.303 1
1 55 . 6 1 1 A 7 7 ALA N N 7 125.292 124.278 1.014 1
1 56 . 6 1 1 A 8 8 GLU H H 8 8.358 7.821 0.537 1
1 57 . 6 1 1 A 8 8 GLU HA H 8 4.297 4.149 0.148 1
1 59 . 6 1 1 A 8 8 GLU C C 8 176.936 176.288 0.648 1
1 60 . 6 1 1 A 8 8 GLU CA C 8 57.618 57.164 0.454 1
1 61 . 6 1 1 A 8 8 GLU CB C 8 30.792 30.009 0.783 1
1 63 . 6 1 1 A 8 8 GLU N N 8 118.943 117.395 1.548 1
1 64 . 6 1 1 A 9 9 THR H H 9 7.974 9.052 -1.078 1
1 65 . 6 1 1 A 9 9 THR HA H 9 4.365 4.567 -0.202 1
1 67 . 6 1 1 A 9 9 THR C C 9 174.629 175.494 -0.865 1
1 68 . 6 1 1 A 9 9 THR CA C 9 62.617 62.339 0.278 1
1 69 . 6 1 1 A 9 9 THR CB C 9 70.422 69.968 0.454 1
1 71 . 6 1 1 A 9 9 THR N N 9 113.540 117.834 -4.294 1
1 72 . 6 1 1 A 10 10 LYS H H 10 8.242 7.738 0.504 1
1 73 . 6 1 1 A 10 10 LYS HA H 10 4.314 4.584 -0.270 1
1 75 . 6 1 1 A 10 10 LYS C C 10 176.513 175.736 0.777 1
1 76 . 6 1 1 A 10 10 LYS CA C 10 57.173 55.100 2.073 1
1 77 . 6 1 1 A 10 10 LYS CB C 10 33.511 36.231 -2.720 1
1 81 . 6 1 1 A 10 10 LYS N N 10 123.339 119.978 3.361 1
1 82 . 6 1 1 A 11 11 GLN H H 11 8.381 8.784 -0.403 1
1 83 . 6 1 1 A 11 11 GLN HA H 11 4.322 4.006 0.316 1
1 89 . 6 1 1 A 11 11 GLN C C 11 176.073 175.558 0.515 1
1 90 . 6 1 1 A 11 11 GLN CA C 11 56.689 56.717 -0.028 1
1 91 . 6 1 1 A 11 11 GLN CB C 11 29.940 27.437 2.503 1
1 93 . 6 1 1 A 11 11 GLN N N 11 120.885 118.496 2.389 1
1 95 . 6 1 1 A 12 12 GLU H H 12 8.407 8.206 0.201 1
1 96 . 6 1 1 A 12 12 GLU HA H 12 4.304 4.372 -0.068 1
1 98 . 6 1 1 A 12 12 GLU C C 12 176.253 177.381 -1.128 1
1 99 . 6 1 1 A 12 12 GLU CA C 12 57.536 58.063 -0.527 1
1 100 . 6 1 1 A 12 12 GLU CB C 12 30.799 30.173 0.626 1
1 102 . 6 1 1 A 12 12 GLU N N 12 121.152 124.512 -3.360 1
1 103 . 6 1 1 A 13 13 LYS H H 13 8.220 7.776 0.444 1
1 104 . 6 1 1 A 13 13 LYS HA H 13 4.542 4.541 0.001 1
1 108 . 6 1 1 A 13 13 LYS C C 13 175.856 174.429 1.427 1
1 109 . 6 1 1 A 13 13 LYS CA C 13 56.335 55.913 0.422 1
1 110 . 6 1 1 A 13 13 LYS CB C 13 33.863 32.496 1.367 1
1 114 . 6 1 1 A 13 13 LYS N N 13 121.312 117.831 3.481 1
1 115 . 6 1 1 A 14 14 SER H H 14 8.447 8.524 -0.077 1
1 116 . 6 1 1 A 14 14 SER HA H 14 4.639 4.951 -0.312 1
1 119 . 6 1 1 A 14 14 SER C C 14 175.529 175.048 0.481 1
1 120 . 6 1 1 A 14 14 SER CA C 14 58.802 56.953 1.849 1
1 121 . 6 1 1 A 14 14 SER CB C 14 64.803 66.755 -1.952 1
1 122 . 6 1 1 A 14 14 SER N N 14 116.487 119.788 -3.301 1
1 123 . 6 1 1 A 15 15 PHE H H 15 8.802 9.388 -0.586 1
1 124 . 6 1 1 A 15 15 PHE HA H 15 4.448 4.250 0.198 1
1 129 . 6 1 1 A 15 15 PHE C C 15 176.935 177.374 -0.439 1
1 130 . 6 1 1 A 15 15 PHE CA C 15 62.188 62.582 -0.394 1
1 131 . 6 1 1 A 15 15 PHE CB C 15 39.721 39.735 -0.014 1
1 132 . 6 1 1 A 15 15 PHE N N 15 124.339 123.820 0.519 1
1 133 . 6 1 1 A 16 16 VAL H H 16 8.025 8.450 -0.425 1
1 134 . 6 1 1 A 16 16 VAL HA H 16 3.490 3.734 -0.244 1
1 142 . 6 1 1 A 16 16 VAL C C 16 177.123 177.619 -0.496 1
1 143 . 6 1 1 A 16 16 VAL CA C 16 67.959 65.040 2.919 1
1 144 . 6 1 1 A 16 16 VAL CB C 16 32.250 31.160 1.090 1
1 147 . 6 1 1 A 16 16 VAL N N 16 118.329 118.893 -0.564 1
1 148 . 6 1 1 A 17 17 ASP H H 17 7.926 8.198 -0.272 1
1 149 . 6 1 1 A 17 17 ASP HA H 17 4.354 4.400 -0.046 1
1 152 . 6 1 1 A 17 17 ASP C C 17 179.625 178.524 1.101 1
1 153 . 6 1 1 A 17 17 ASP CA C 17 58.204 57.169 1.035 1
1 154 . 6 1 1 A 17 17 ASP CB C 17 41.324 41.494 -0.170 1
1 155 . 6 1 1 A 17 17 ASP N N 17 118.753 120.950 -2.197 1
1 156 . 6 1 1 A 18 18 TRP H H 18 8.174 8.206 -0.032 1
1 157 . 6 1 1 A 18 18 TRP HA H 18 4.111 4.322 -0.211 1
1 163 . 6 1 1 A 18 18 TRP CA C 18 62.194 60.803 1.391 1
1 164 . 6 1 1 A 18 18 TRP CB C 18 29.150 29.267 -0.117 1
1 165 . 6 1 1 A 18 18 TRP N N 18 122.311 121.593 0.718 1
1 167 . 6 1 1 A 19 19 LEU H H 19 8.517 8.265 0.252 1
1 168 . 6 1 1 A 19 19 LEU HA H 19 3.447 3.785 -0.338 1
1 178 . 6 1 1 A 19 19 LEU C C 19 179.115 179.109 0.006 1
1 179 . 6 1 1 A 19 19 LEU CA C 19 58.630 58.374 0.256 1
1 180 . 6 1 1 A 19 19 LEU CB C 19 42.676 42.003 0.673 1
1 184 . 6 1 1 A 19 19 LEU N N 19 120.943 121.226 -0.283 1
1 185 . 6 1 1 A 20 20 LEU H H 20 8.713 8.707 0.006 1
1 186 . 6 1 1 A 20 20 LEU HA H 20 3.972 4.036 -0.064 1
1 196 . 6 1 1 A 20 20 LEU C C 20 180.266 178.631 1.635 1
1 197 . 6 1 1 A 20 20 LEU CA C 20 58.318 57.661 0.657 1
1 198 . 6 1 1 A 20 20 LEU CB C 20 41.655 41.776 -0.121 1
1 202 . 6 1 1 A 20 20 LEU N N 20 117.598 119.529 -1.931 1
1 203 . 6 1 1 A 21 21 GLY H H 21 7.783 8.261 -0.478 1
1 204 . 6 1 1 A 21 21 GLY HA2 H 21 3.829 3.810 0.019 1
1 205 . 6 1 1 A 21 21 GLY C C 21 175.390 175.673 -0.283 1
1 206 . 6 1 1 A 21 21 GLY CA C 21 46.978 47.219 -0.241 1
1 207 . 6 1 1 A 21 21 GLY N N 21 106.102 107.703 -1.601 1
1 208 . 6 1 1 A 22 22 LYS H H 22 7.443 7.841 -0.398 1
1 209 . 6 1 1 A 22 22 LYS HA H 22 4.090 4.006 0.084 1
1 217 . 6 1 1 A 22 22 LYS C C 22 177.806 178.588 -0.782 1
1 218 . 6 1 1 A 22 22 LYS CA C 22 56.974 59.154 -2.180 1
1 219 . 6 1 1 A 22 22 LYS CB C 22 32.718 32.100 0.618 1
1 223 . 6 1 1 A 22 22 LYS N N 22 118.883 121.325 -2.442 1
1 224 . 6 1 1 A 23 23 ILE H H 23 7.550 7.437 0.113 1
1 225 . 6 1 1 A 23 23 ILE HA H 23 4.165 4.011 0.154 1
1 235 . 6 1 1 A 23 23 ILE C C 23 175.996 178.152 -2.156 1
1 236 . 6 1 1 A 23 23 ILE CA C 23 62.916 63.472 -0.556 1
1 237 . 6 1 1 A 23 23 ILE CB C 23 39.444 36.836 2.608 1
1 241 . 6 1 1 A 23 23 ILE N N 23 114.457 119.570 -5.113 1
1 242 . 6 1 1 A 24 24 THR H H 24 7.778 7.956 -0.178 1
1 243 . 6 1 1 A 24 24 THR HA H 24 4.379 4.157 0.222 1
1 248 . 6 1 1 A 24 24 THR C C 24 174.616 174.668 -0.052 1
1 249 . 6 1 1 A 24 24 THR CA C 24 62.699 65.276 -2.577 1
1 250 . 6 1 1 A 24 24 THR CB C 24 70.567 69.220 1.347 1
1 252 . 6 1 1 A 24 24 THR N N 24 113.224 114.332 -1.108 1
1 253 . 6 1 1 A 25 25 LYS H H 25 7.956 7.428 0.528 1
1 259 . 6 1 1 A 25 25 LYS CA C 25 56.696 55.225 1.471 1
1 260 . 6 1 1 A 25 25 LYS CB C 25 33.428 36.029 -2.601 1
1 262 . 6 1 1 A 25 25 LYS N N 25 122.468 115.289 7.179 1
1 263 . 6 1 1 A 26 26 GLU H H 26 8.392 8.715 -0.323 1
1 264 . 6 1 1 A 26 26 GLU HA H 26 4.230 4.682 -0.452 1
1 268 . 6 1 1 A 26 26 GLU C C 26 176.320 175.454 0.866 1
1 269 . 6 1 1 A 26 26 GLU CA C 26 57.616 55.620 1.996 1
1 270 . 6 1 1 A 26 26 GLU CB C 26 30.854 30.071 0.783 1
1 272 . 6 1 1 A 26 26 GLU N N 26 121.068 118.501 2.567 1
1 273 . 6 1 1 A 27 27 ASP H H 27 8.299 7.731 0.568 1
1 274 . 6 1 1 A 27 27 ASP HA H 27 4.496 4.998 -0.502 1
1 276 . 6 1 1 A 27 27 ASP C C 27 175.931 174.115 1.816 1
1 277 . 6 1 1 A 27 27 ASP CA C 27 55.161 53.901 1.260 1
1 278 . 6 1 1 A 27 27 ASP CB C 27 41.532 43.930 -2.398 1
1 279 . 6 1 1 A 27 27 ASP N N 27 119.412 119.213 0.199 1
1 280 . 6 1 1 A 28 28 GLN H H 28 8.108 8.699 -0.591 1
1 281 . 6 1 1 A 28 28 GLN HA H 28 4.215 5.124 -0.909 1
1 286 . 6 1 1 A 28 28 GLN C C 28 175.845 175.112 0.733 1
1 287 . 6 1 1 A 28 28 GLN CA C 28 56.559 54.760 1.799 1
1 288 . 6 1 1 A 28 28 GLN CB C 28 30.105 31.367 -1.262 1
1 290 . 6 1 1 A 28 28 GLN N N 28 119.037 117.874 1.163 1
1 292 . 6 1 1 A 29 29 PHE H H 29 8.235 9.107 -0.872 1
1 293 . 6 1 1 A 29 29 PHE HA H 29 4.514 4.105 0.409 1
1 299 . 6 1 1 A 29 29 PHE C C 29 175.361 174.129 1.232 1
1 300 . 6 1 1 A 29 29 PHE CA C 29 58.810 58.948 -0.138 1
1 301 . 6 1 1 A 29 29 PHE CB C 29 40.000 37.549 2.451 1
1 302 . 6 1 1 A 29 29 PHE N N 29 120.622 120.336 0.286 1
1 303 . 6 1 1 A 30 30 TYR H H 30 7.715 7.622 0.093 1
1 304 . 6 1 1 A 30 30 TYR HA H 30 4.508 5.133 -0.625 1
1 310 . 6 1 1 A 30 30 TYR C C 30 175.416 174.917 0.499 1
1 311 . 6 1 1 A 30 30 TYR CA C 30 58.544 56.544 2.000 1
1 312 . 6 1 1 A 30 30 TYR CB C 30 39.613 39.778 -0.165 1
1 313 . 6 1 1 A 30 30 TYR N N 30 119.864 118.263 1.601 1
1 314 . 6 1 1 A 31 31 GLU H H 31 8.187 8.610 -0.423 1
1 315 . 6 1 1 A 31 31 GLU HA H 31 4.293 4.417 -0.124 1
1 319 . 6 1 1 A 31 31 GLU C C 31 176.148 176.212 -0.064 1
1 320 . 6 1 1 A 31 31 GLU CA C 31 57.172 56.468 0.704 1
1 321 . 6 1 1 A 31 31 GLU CB C 31 30.845 31.472 -0.627 1
1 323 . 6 1 1 A 31 31 GLU N N 31 121.546 118.507 3.039 1
1 324 . 6 1 1 A 32 32 THR H H 32 7.864 8.154 -0.290 1
1 325 . 6 1 1 A 32 32 THR HA H 32 4.359 4.756 -0.397 1
1 330 . 6 1 1 A 32 32 THR C C 32 173.970 174.331 -0.361 1
1 331 . 6 1 1 A 32 32 THR CA C 32 62.043 62.665 -0.622 1
1 332 . 6 1 1 A 32 32 THR CB C 32 70.721 71.689 -0.968 1
1 334 . 6 1 1 A 32 32 THR N N 32 113.695 114.030 -0.335 1
1 335 . 6 1 1 A 33 33 ASP H H 33 8.317 8.292 0.025 1
1 336 . 6 1 1 A 33 33 ASP HA H 33 4.880 4.384 0.496 1
1 339 . 6 1 1 A 33 33 ASP CA C 33 53.661 54.700 -1.039 1
1 340 . 6 1 1 A 33 33 ASP CB C 33 41.474 39.276 2.198 1
1 341 . 6 1 1 A 33 33 ASP N N 33 123.601 120.336 3.265 1
1 342 . 6 1 1 A 34 34 PRO HA H 34 4.408 4.421 -0.013 1
1 348 . 6 1 1 A 34 34 PRO C C 34 174.420 175.973 -1.553 1
1 349 . 6 1 1 A 34 34 PRO CA C 34 64.164 64.299 -0.135 1
1 350 . 6 1 1 A 34 34 PRO CB C 34 32.774 31.679 1.095 1
1 353 . 6 1 1 A 35 35 ILE H H 35 8.143 7.287 0.856 1
1 354 . 6 1 1 A 35 35 ILE HA H 35 4.046 4.403 -0.357 1
1 364 . 6 1 1 A 35 35 ILE C C 35 176.474 175.895 0.579 1
1 365 . 6 1 1 A 35 35 ILE CA C 35 62.937 59.423 3.514 1
1 366 . 6 1 1 A 35 35 ILE CB C 35 39.275 39.044 0.231 1
1 370 . 6 1 1 A 35 35 ILE N N 35 120.322 114.772 5.550 1
1 371 . 6 1 1 A 36 36 LEU H H 36 7.975 8.414 -0.439 1
1 372 . 6 1 1 A 36 36 LEU HA H 36 4.398 4.435 -0.037 1
1 381 . 6 1 1 A 36 36 LEU C C 36 177.299 178.130 -0.831 1
1 382 . 6 1 1 A 36 36 LEU CA C 36 56.022 54.223 1.799 1
1 383 . 6 1 1 A 36 36 LEU CB C 36 42.837 42.511 0.326 1
1 387 . 6 1 1 A 36 36 LEU N N 36 121.023 122.371 -1.348 1
1 388 . 6 1 1 A 37 37 ARG H H 37 7.932 8.330 -0.398 1
1 389 . 6 1 1 A 37 37 ARG HA H 37 4.345 4.452 -0.107 1
1 395 . 6 1 1 A 37 37 ARG C C 37 176.869 175.838 1.031 1
1 396 . 6 1 1 A 37 37 ARG CA C 37 56.912 55.279 1.633 1
1 397 . 6 1 1 A 37 37 ARG CB C 37 31.127 29.246 1.881 1
1 400 . 6 1 1 A 37 37 ARG N N 37 118.673 119.473 -0.800 1
1 402 . 6 1 1 A 38 38 GLY H H 38 8.271 8.580 -0.309 1
1 403 . 6 1 1 A 38 38 GLY HA2 H 38 3.986 4.032 -0.046 1
1 404 . 6 1 1 A 38 38 GLY C C 38 174.864 174.136 0.728 1
1 405 . 6 1 1 A 38 38 GLY CA C 38 46.258 46.227 0.031 1
1 406 . 6 1 1 A 38 38 GLY N N 38 108.377 109.507 -1.130 1
1 407 . 6 1 1 A 39 39 GLY H H 39 8.218 8.112 0.106 1
1 408 . 6 1 1 A 39 39 GLY HA2 H 39 3.998 4.258 -0.260 1
1 409 . 6 1 1 A 39 39 GLY C C 39 174.158 172.266 1.892 1
1 410 . 6 1 1 A 39 39 GLY CA C 39 46.187 45.816 0.371 1
1 411 . 6 1 1 A 39 39 GLY N N 39 108.485 108.496 -0.011 1
1 412 . 6 1 1 A 40 40 ASP H H 40 8.274 8.659 -0.385 1
1 413 . 6 1 1 A 40 40 ASP HA H 40 4.699 4.915 -0.216 1
1 415 . 6 1 1 A 40 40 ASP C C 40 176.791 175.421 1.370 1
1 416 . 6 1 1 A 40 40 ASP CA C 40 55.105 53.186 1.919 1
1 417 . 6 1 1 A 40 40 ASP CB C 40 41.715 40.778 0.937 1
1 418 . 6 1 1 A 40 40 ASP N N 40 120.261 122.426 -2.165 1
1 419 . 6 1 1 A 41 41 VAL H H 41 8.071 7.983 0.088 1
1 420 . 6 1 1 A 41 41 VAL HA H 41 3.993 3.765 0.228 1
1 425 . 6 1 1 A 41 41 VAL C C 41 176.869 175.505 1.364 1
1 426 . 6 1 1 A 41 41 VAL CA C 41 64.502 64.752 -0.250 1
1 427 . 6 1 1 A 41 41 VAL CB C 41 32.773 32.233 0.540 1
1 429 . 6 1 1 A 41 41 VAL N N 41 120.111 121.440 -1.329 1
1 430 . 6 1 1 A 42 42 LYS H H 42 8.213 7.923 0.290 1
1 431 . 6 1 1 A 42 42 LYS HA H 42 4.299 4.380 -0.081 1
1 434 . 6 1 1 A 42 42 LYS C C 42 177.041 175.325 1.716 1
1 435 . 6 1 1 A 42 42 LYS CA C 42 57.639 57.472 0.167 1
1 436 . 6 1 1 A 42 42 LYS CB C 42 33.227 32.020 1.207 1
1 440 . 6 1 1 A 42 42 LYS N N 42 121.557 122.234 -0.677 1
1 441 . 6 1 1 A 43 43 SER H H 43 8.126 8.521 -0.395 1
1 442 . 6 1 1 A 43 43 SER HA H 43 4.452 4.565 -0.113 1
1 444 . 6 1 1 A 43 43 SER C C 43 175.085 175.382 -0.297 1
1 445 . 6 1 1 A 43 43 SER CA C 43 59.403 58.435 0.968 1
1 446 . 6 1 1 A 43 43 SER CB C 43 64.208 64.359 -0.151 1
1 447 . 6 1 1 A 43 43 SER N N 43 115.295 118.531 -3.236 1
1 448 . 6 1 1 A 44 44 SER H H 44 8.251 8.697 -0.446 1
1 449 . 6 1 1 A 44 44 SER HA H 44 4.479 4.315 0.164 1
1 451 . 6 1 1 A 44 44 SER C C 44 175.331 174.413 0.918 1
1 452 . 6 1 1 A 44 44 SER CA C 44 59.701 59.875 -0.174 1
1 453 . 6 1 1 A 44 44 SER CB C 44 64.453 63.234 1.219 1
1 454 . 6 1 1 A 44 44 SER N N 44 117.357 115.827 1.530 1
1 455 . 6 1 1 A 45 45 GLY H H 45 8.401 7.470 0.931 1
1 456 . 6 1 1 A 45 45 GLY HA2 H 45 4.030 4.024 0.006 1
1 457 . 6 1 1 A 45 45 GLY C C 45 174.472 171.042 3.430 1
1 458 . 6 1 1 A 45 45 GLY CA C 45 46.258 45.080 1.178 1
1 459 . 6 1 1 A 45 45 GLY N N 45 110.523 107.965 2.558 1
1 460 . 6 1 1 A 46 46 SER H H 46 8.177 8.417 -0.240 1
1 461 . 6 1 1 A 46 46 SER HA H 46 4.536 5.114 -0.578 1
1 463 . 6 1 1 A 46 46 SER C C 46 175.206 172.786 2.420 1
1 464 . 6 1 1 A 46 46 SER CA C 46 59.244 57.562 1.682 1
1 465 . 6 1 1 A 46 46 SER CB C 46 64.484 66.213 -1.729 1
1 466 . 6 1 1 A 46 46 SER N N 46 115.297 113.324 1.973 1
1 467 . 6 1 1 A 47 47 THR H H 47 8.198 8.559 -0.361 1
1 468 . 6 1 1 A 47 47 THR HA H 47 4.432 5.155 -0.723 1
1 470 . 6 1 1 A 47 47 THR C C 47 174.939 172.685 2.254 1
1 471 . 6 1 1 A 47 47 THR CA C 47 62.746 60.828 1.918 1
1 472 . 6 1 1 A 47 47 THR CB C 47 70.246 71.242 -0.996 1
1 474 . 6 1 1 A 47 47 THR N N 47 114.635 112.269 2.366 1
1 475 . 6 1 1 A 48 48 SER H H 48 8.228 8.365 -0.137 1
1 476 . 6 1 1 A 48 48 SER HA H 48 4.473 4.844 -0.371 1
1 478 . 6 1 1 A 48 48 SER C C 48 175.241 173.297 1.944 1
1 479 . 6 1 1 A 48 48 SER CA C 48 59.480 57.320 2.160 1
1 480 . 6 1 1 A 48 48 SER CB C 48 64.429 65.992 -1.563 1
1 481 . 6 1 1 A 48 48 SER N N 48 117.146 114.329 2.817 1
1 482 . 6 1 1 A 49 49 GLY H H 49 8.342 8.524 -0.182 1
1 483 . 6 1 1 A 49 49 GLY HA2 H 49 4.048 4.166 -0.118 1
1 484 . 6 1 1 A 49 49 GLY C C 49 174.776 174.853 -0.077 1
1 485 . 6 1 1 A 49 49 GLY CA C 49 46.233 45.049 1.184 1
1 486 . 6 1 1 A 49 49 GLY N N 49 110.627 109.532 1.095 1
1 487 . 6 1 1 A 50 50 LYS H H 50 8.124 8.366 -0.242 1
1 488 . 6 1 1 A 50 50 LYS HA H 50 4.302 4.406 -0.104 1
1 490 . 6 1 1 A 50 50 LYS C C 50 176.932 176.502 0.430 1
1 491 . 6 1 1 A 50 50 LYS CA C 50 57.333 57.506 -0.173 1
1 492 . 6 1 1 A 50 50 LYS CB C 50 33.497 33.900 -0.403 1
1 496 . 6 1 1 A 50 50 LYS N N 50 120.037 120.842 -0.805 1
1 497 . 6 1 1 A 51 51 LYS H H 51 8.089 7.591 0.498 1
1 498 . 6 1 1 A 51 51 LYS HA H 51 4.325 4.559 -0.234 1
1 500 . 6 1 1 A 51 51 LYS C C 51 177.169 176.360 0.809 1
1 501 . 6 1 1 A 51 51 LYS CA C 51 57.251 57.786 -0.535 1
1 502 . 6 1 1 A 51 51 LYS CB C 51 33.293 34.744 -1.451 1
1 506 . 6 1 1 A 51 51 LYS N N 51 120.805 114.914 5.891 1
1 507 . 6 1 1 A 52 52 GLY H H 52 8.304 7.689 0.615 1
1 508 . 6 1 1 A 52 52 GLY HA2 H 52 4.005 4.125 -0.120 1
1 509 . 6 1 1 A 52 52 GLY C C 52 174.545 173.587 0.958 1
1 510 . 6 1 1 A 52 52 GLY CA C 52 46.250 45.615 0.635 1
1 511 . 6 1 1 A 52 52 GLY N N 52 109.109 107.167 1.942 1
1 512 . 6 1 1 A 53 53 GLY H H 53 8.201 7.832 0.369 1
1 513 . 6 1 1 A 53 53 GLY HA2 H 53 4.051 4.145 -0.094 1
1 514 . 6 1 1 A 53 53 GLY C C 53 174.771 172.555 2.216 1
1 515 . 6 1 1 A 53 53 GLY CA C 53 46.204 45.700 0.504 1
1 516 . 6 1 1 A 53 53 GLY N N 53 108.474 104.463 4.011 1
1 517 . 6 1 1 A 54 54 THR H H 54 8.115 8.576 -0.461 1
1 518 . 6 1 1 A 54 54 THR HA H 54 4.442 4.638 -0.196 1
1 522 . 6 1 1 A 54 54 THR C C 54 175.190 172.952 2.238 1
1 523 . 6 1 1 A 54 54 THR CA C 54 62.904 61.032 1.872 1
1 524 . 6 1 1 A 54 54 THR CB C 54 70.261 69.355 0.906 1
1 525 . 6 1 1 A 54 54 THR N N 54 113.386 114.654 -1.268 1
1 526 . 6 1 1 A 55 55 THR H H 55 8.158 7.740 0.418 1
1 527 . 6 1 1 A 55 55 THR HA H 55 4.452 4.871 -0.419 1
1 531 . 6 1 1 A 55 55 THR C C 55 175.050 173.845 1.205 1
1 532 . 6 1 1 A 55 55 THR CA C 55 62.740 61.555 1.185 1
1 533 . 6 1 1 A 55 55 THR CB C 55 70.171 71.081 -0.910 1
1 535 . 6 1 1 A 55 55 THR N N 55 114.825 117.745 -2.920 1
1 536 . 6 1 1 A 56 56 SER H H 56 8.233 8.754 -0.521 1
1 537 . 6 1 1 A 56 56 SER HA H 56 4.484 4.596 -0.112 1
1 539 . 6 1 1 A 56 56 SER C C 56 175.314 175.223 0.091 1
1 540 . 6 1 1 A 56 56 SER CA C 56 59.419 58.987 0.432 1
1 541 . 6 1 1 A 56 56 SER CB C 56 64.576 64.648 -0.072 1
1 542 . 6 1 1 A 56 56 SER N N 56 117.144 119.823 -2.679 1
1 543 . 6 1 1 A 57 57 GLY H H 57 8.340 8.115 0.225 1
1 544 . 6 1 1 A 57 57 GLY HA2 H 57 4.043 3.965 0.078 1
1 545 . 6 1 1 A 57 57 GLY C C 57 176.801 174.324 2.477 1
1 546 . 6 1 1 A 57 57 GLY CA C 57 45.927 45.121 0.806 1
1 547 . 6 1 1 A 57 57 GLY N N 57 110.613 108.951 1.662 1
1 548 . 6 1 1 A 58 58 LYS H H 58 8.125 8.329 -0.204 1
1 549 . 6 1 1 A 58 58 LYS HA H 58 4.313 4.034 0.279 1
1 554 . 6 1 1 A 58 58 LYS C C 58 176.220 176.484 -0.264 1
1 555 . 6 1 1 A 58 58 LYS CA C 58 57.524 56.721 0.803 1
1 556 . 6 1 1 A 58 58 LYS CB C 58 33.485 31.056 2.429 1
1 560 . 6 1 1 A 58 58 LYS N N 58 120.526 120.770 -0.244 1
1 561 . 6 1 1 A 59 59 LYS H H 59 8.227 8.468 -0.241 1
1 562 . 6 1 1 A 59 59 LYS HA H 59 4.202 4.496 -0.294 1
1 567 . 6 1 1 A 59 59 LYS C C 59 177.075 177.430 -0.355 1
1 568 . 6 1 1 A 59 59 LYS CA C 59 58.240 56.800 1.440 1
1 569 . 6 1 1 A 59 59 LYS CB C 59 33.354 33.351 0.003 1
1 573 . 6 1 1 A 59 59 LYS N N 59 121.098 122.263 -1.165 1
1 574 . 6 1 1 A 60 60 GLY H H 60 8.337 7.947 0.390 1
1 575 . 6 1 1 A 60 60 GLY HA2 H 60 4.047 3.880 0.167 1
1 576 . 6 1 1 A 60 60 GLY C C 60 174.631 173.883 0.748 1
1 577 . 6 1 1 A 60 60 GLY CA C 60 46.282 46.659 -0.377 1
1 578 . 6 1 1 A 60 60 GLY N N 60 109.436 107.959 1.477 1
1 579 . 6 1 1 A 61 61 THR H H 61 7.947 8.034 -0.087 1
1 580 . 6 1 1 A 61 61 THR HA H 61 4.396 4.743 -0.347 1
1 585 . 6 1 1 A 61 61 THR C C 61 174.470 175.947 -1.477 1
1 586 . 6 1 1 A 61 61 THR CA C 61 62.795 63.046 -0.251 1
1 587 . 6 1 1 A 61 61 THR CB C 61 70.637 71.627 -0.990 1
1 589 . 6 1 1 A 61 61 THR N N 61 112.095 113.639 -1.544 1
1 590 . 6 1 1 A 62 62 VAL H H 62 7.788 7.952 -0.164 1
1 591 . 6 1 1 A 62 62 VAL HA H 62 4.243 4.340 -0.097 1
1 596 . 6 1 1 A 62 62 VAL CA C 62 62.733 63.665 -0.932 1
1 597 . 6 1 1 A 62 62 VAL CB C 62 33.693 33.467 0.226 1
1 599 . 6 1 1 A 62 62 VAL N N 62 120.973 120.816 0.157 1
1 600 . 6 1 1 A 63 63 SER H H 63 8.052 8.337 -0.285 1
1 601 . 6 1 1 A 63 63 SER HA H 63 4.665 4.165 0.500 1
1 604 . 6 1 1 A 63 63 SER CA C 63 57.747 62.047 -4.300 1
1 605 . 6 1 1 A 63 63 SER CB C 63 64.991 62.877 2.114 1
1 606 . 6 1 1 A 63 63 SER N N 63 119.427 116.351 3.076 1
1 607 . 6 1 1 A 64 64 ILE H H 64 8.191 7.509 0.682 1
1 608 . 6 1 1 A 64 64 ILE HA H 64 4.313 4.308 0.005 1
1 617 . 6 1 1 A 64 64 ILE CA C 64 59.873 60.197 -0.324 1
1 618 . 6 1 1 A 64 64 ILE CB C 64 38.818 37.568 1.250 1
1 621 . 6 1 1 A 64 64 ILE N N 64 122.947 119.513 3.434 1
1 622 . 6 1 1 A 65 65 PRO HA H 65 4.466 4.321 0.145 1
1 628 . 6 1 1 A 65 65 PRO CA C 65 64.303 64.522 -0.219 1
1 629 . 6 1 1 A 65 65 PRO CB C 65 32.672 32.041 0.631 1
1 632 . 6 1 1 A 66 66 SER H H 66 8.002 7.990 0.012 1
1 633 . 6 1 1 A 66 66 SER HA H 66 4.498 4.232 0.266 1
1 635 . 6 1 1 A 66 66 SER CA C 66 58.702 60.541 -1.839 1
1 636 . 6 1 1 A 66 66 SER CB C 66 64.819 62.129 2.690 1
1 637 . 6 1 1 A 66 66 SER N N 66 112.889 112.432 0.457 1
1 638 . 6 1 1 A 67 67 LYS H H 67 8.137 8.319 -0.182 1
1 639 . 6 1 1 A 67 67 LYS HA H 67 4.347 4.500 -0.153 1
1 641 . 6 1 1 A 67 67 LYS C C 67 176.555 176.102 0.453 1
1 642 . 6 1 1 A 67 67 LYS CA C 67 57.061 55.088 1.973 1
1 643 . 6 1 1 A 67 67 LYS CB C 67 33.669 32.643 1.026 1
1 647 . 6 1 1 A 67 67 LYS N N 67 122.114 119.547 2.567 1
1 648 . 6 1 1 A 68 68 LYS H H 68 8.118 8.283 -0.165 1
1 649 . 6 1 1 A 68 68 LYS HA H 68 4.322 4.510 -0.188 1
1 651 . 6 1 1 A 68 68 LYS C C 68 176.446 177.830 -1.384 1
1 652 . 6 1 1 A 68 68 LYS CA C 68 57.043 57.424 -0.381 1
1 653 . 6 1 1 A 68 68 LYS CB C 68 33.531 34.079 -0.548 1
1 657 . 6 1 1 A 68 68 LYS N N 68 121.435 126.466 -5.031 1
1 658 . 6 1 1 A 69 69 LYS H H 69 8.394 7.979 0.415 1
1 659 . 6 1 1 A 69 69 LYS HA H 69 4.351 4.604 -0.253 1
1 663 . 6 1 1 A 69 69 LYS C C 69 175.623 176.491 -0.868 1
1 664 . 6 1 1 A 69 69 LYS CA C 69 56.762 55.083 1.679 1
1 665 . 6 1 1 A 69 69 LYS CB C 69 33.782 32.665 1.117 1
1 669 . 6 1 1 A 69 69 LYS N N 69 121.052 117.933 3.119 1
1 670 . 6 1 1 A 70 70 ASN H H 70 8.014 8.195 -0.181 1
1 671 . 6 1 1 A 70 70 ASN HA H 70 4.515 4.866 -0.351 1
1 675 . 6 1 1 A 70 70 ASN CA C 70 55.331 53.957 1.374 1
1 676 . 6 1 1 A 70 70 ASN CB C 70 41.478 40.600 0.878 1
1 677 . 6 1 1 A 70 70 ASN N N 70 125.005 117.148 7.857 1
1 679 . 6 1 1 A 71 71 GLY H H 71 8.255 7.892 0.363 1
1 680 . 6 1 1 A 71 71 GLY HA2 H 71 3.986 4.075 -0.089 1
1 681 . 6 1 1 A 71 71 GLY C C 71 174.458 173.505 0.953 1
1 682 . 6 1 1 A 71 71 GLY CA C 71 46.110 44.024 2.086 1
1 683 . 6 1 1 A 71 71 GLY N N 71 114.247 107.058 7.189 1
1 684 . 6 1 1 A 72 72 ASN H H 72 8.462 8.675 -0.213 1
1 685 . 6 1 1 A 72 72 ASN HA H 72 4.796 4.996 -0.200 1
1 689 . 6 1 1 A 72 72 ASN C C 72 175.757 174.973 0.784 1
1 690 . 6 1 1 A 72 72 ASN CA C 72 53.882 52.104 1.778 1
1 691 . 6 1 1 A 72 72 ASN CB C 72 39.885 38.528 1.357 1
1 692 . 6 1 1 A 72 72 ASN N N 72 118.314 116.853 1.461 1
1 694 . 6 1 1 A 73 73 GLY H H 73 8.469 8.077 0.392 1
1 695 . 6 1 1 A 73 73 GLY HA2 H 73 3.968 4.112 -0.144 1
1 696 . 6 1 1 A 73 73 GLY C C 73 174.791 174.269 0.522 1
1 697 . 6 1 1 A 73 73 GLY CA C 73 46.247 44.644 1.603 1
1 698 . 6 1 1 A 73 73 GLY N N 73 109.019 107.934 1.085 1
1 699 . 6 1 1 A 74 74 GLY H H 74 7.946 8.404 -0.458 1
1 700 . 6 1 1 A 74 74 GLY HA2 H 74 4.112 3.872 0.240 1
1 701 . 6 1 1 A 74 74 GLY HA3 H 74 4.177 3.877 0.300 1
1 702 . 6 1 1 A 74 74 GLY C C 74 175.399 175.085 0.314 1
1 703 . 6 1 1 A 74 74 GLY CA C 74 45.825 45.180 0.645 1
1 704 . 6 1 1 A 74 74 GLY N N 74 108.672 114.307 -5.635 1
1 705 . 6 1 1 A 75 75 VAL H H 75 8.168 8.042 0.126 1
1 706 . 6 1 1 A 75 75 VAL HA H 75 3.881 3.843 0.038 1
1 714 . 6 1 1 A 75 75 VAL C C 75 176.466 175.746 0.720 1
1 715 . 6 1 1 A 75 75 VAL CA C 75 64.845 65.277 -0.432 1
1 716 . 6 1 1 A 75 75 VAL CB C 75 32.811 31.686 1.125 1
1 719 . 6 1 1 A 75 75 VAL N N 75 119.832 119.300 0.532 1
1 720 . 6 1 1 A 76 76 PHE H H 76 8.138 7.387 0.751 1
1 721 . 6 1 1 A 76 76 PHE HA H 76 4.664 4.987 -0.323 1
1 729 . 6 1 1 A 76 76 PHE C C 76 176.775 175.053 1.722 1
1 730 . 6 1 1 A 76 76 PHE CA C 76 58.810 56.063 2.747 1
1 731 . 6 1 1 A 76 76 PHE CB C 76 39.177 41.434 -2.257 1
1 732 . 6 1 1 A 76 76 PHE N N 76 118.007 117.762 0.245 1
1 733 . 6 1 1 A 77 77 GLY H H 77 8.080 8.959 -0.879 1
1 734 . 6 1 1 A 77 77 GLY HA2 H 77 3.948 4.116 -0.168 1
1 735 . 6 1 1 A 77 77 GLY C C 77 175.581 174.549 1.032 1
1 736 . 6 1 1 A 77 77 GLY CA C 77 47.292 45.257 2.035 1
1 737 . 6 1 1 A 77 77 GLY N N 77 107.115 108.743 -1.628 1
1 738 . 6 1 1 A 78 78 GLY H H 78 8.136 8.169 -0.033 1
1 739 . 6 1 1 A 78 78 GLY HA2 H 78 4.011 4.082 -0.071 1
1 740 . 6 1 1 A 78 78 GLY C C 78 175.337 175.012 0.325 1
1 741 . 6 1 1 A 78 78 GLY CA C 78 46.315 45.348 0.967 1
1 742 . 6 1 1 A 78 78 GLY N N 78 108.462 107.951 0.511 1
1 743 . 6 1 1 A 79 79 LEU H H 79 7.641 7.607 0.034 1
1 744 . 6 1 1 A 79 79 LEU HA H 79 4.022 4.209 -0.187 1
1 753 . 6 1 1 A 79 79 LEU C C 79 177.256 178.228 -0.972 1
1 754 . 6 1 1 A 79 79 LEU CA C 79 57.813 56.857 0.956 1
1 755 . 6 1 1 A 79 79 LEU CB C 79 43.316 43.148 0.168 1
1 759 . 6 1 1 A 79 79 LEU N N 79 121.664 120.464 1.200 1
1 760 . 6 1 1 A 80 80 PHE H H 80 7.944 7.541 0.403 1
1 761 . 6 1 1 A 80 80 PHE HA H 80 4.633 4.847 -0.214 1
1 768 . 6 1 1 A 80 80 PHE C C 80 175.433 175.503 -0.070 1
1 769 . 6 1 1 A 80 80 PHE CA C 80 58.208 56.913 1.295 1
1 770 . 6 1 1 A 80 80 PHE CB C 80 39.615 39.484 0.131 1
1 771 . 6 1 1 A 80 80 PHE N N 80 114.796 113.254 1.542 1
1 772 . 6 1 1 A 81 81 ALA H H 81 7.611 7.904 -0.293 1
1 773 . 6 1 1 A 81 81 ALA HA H 81 4.364 4.388 -0.024 1
1 777 . 6 1 1 A 81 81 ALA C C 81 177.568 176.778 0.790 1
1 778 . 6 1 1 A 81 81 ALA CA C 81 52.989 52.894 0.095 1
1 779 . 6 1 1 A 81 81 ALA CB C 81 19.902 20.675 -0.773 1
1 780 . 6 1 1 A 81 81 ALA N N 81 122.618 120.931 1.687 1
1 781 . 6 1 1 A 82 82 LYS H H 82 8.155 7.687 0.468 1
1 782 . 6 1 1 A 82 82 LYS HA H 82 4.313 4.515 -0.202 1
1 784 . 6 1 1 A 82 82 LYS C C 82 176.941 175.488 1.453 1
1 785 . 6 1 1 A 82 82 LYS CA C 82 57.023 55.680 1.343 1
1 786 . 6 1 1 A 82 82 LYS CB C 82 33.299 33.894 -0.595 1
1 789 . 6 1 1 A 82 82 LYS N N 82 120.345 117.367 2.978 1
1 790 . 6 1 1 A 83 83 LYS H H 83 8.256 8.433 -0.177 1
1 791 . 6 1 1 A 83 83 LYS HA H 83 4.378 4.387 -0.009 1
1 794 . 6 1 1 A 83 83 LYS CA C 83 56.618 57.490 -0.872 1
1 795 . 6 1 1 A 83 83 LYS CB C 83 33.767 33.897 -0.130 1
1 799 . 6 1 1 A 83 83 LYS N N 83 122.901 124.212 -1.311 1
1 6 . 7 1 1 A 2 2 ALA H H 2 8.448 7.822 0.626 1
1 7 . 7 1 1 A 2 2 ALA HA H 2 4.314 4.639 -0.325 1
1 11 . 7 1 1 A 2 2 ALA C C 2 177.731 175.835 1.896 1
1 12 . 7 1 1 A 2 2 ALA CA C 2 53.711 51.401 2.310 1
1 13 . 7 1 1 A 2 2 ALA CB C 2 19.629 19.018 0.611 1
1 14 . 7 1 1 A 2 2 ALA N N 2 125.995 121.336 4.659 1
1 15 . 7 1 1 A 3 3 ALA H H 3 8.148 8.515 -0.367 1
1 16 . 7 1 1 A 3 3 ALA HA H 3 4.292 4.614 -0.322 1
1 20 . 7 1 1 A 3 3 ALA C C 3 177.888 177.271 0.617 1
1 21 . 7 1 1 A 3 3 ALA CA C 3 53.439 51.224 2.215 1
1 22 . 7 1 1 A 3 3 ALA CB C 3 19.671 20.706 -1.035 1
1 23 . 7 1 1 A 3 3 ALA N N 3 121.767 124.802 -3.035 1
1 24 . 7 1 1 A 4 4 LYS H H 4 8.047 9.307 -1.260 1
1 25 . 7 1 1 A 4 4 LYS HA H 4 4.314 4.250 0.064 1
1 27 . 7 1 1 A 4 4 LYS C C 4 177.363 176.654 0.709 1
1 28 . 7 1 1 A 4 4 LYS CA C 4 57.279 58.049 -0.770 1
1 29 . 7 1 1 A 4 4 LYS CB C 4 33.570 31.256 2.314 1
1 33 . 7 1 1 A 4 4 LYS N N 4 119.233 116.421 2.812 1
1 34 . 7 1 1 A 5 5 GLY H H 5 8.317 8.721 -0.404 1
1 35 . 7 1 1 A 5 5 GLY HA2 H 5 4.039 3.929 0.110 1
1 36 . 7 1 1 A 5 5 GLY C C 5 174.706 174.613 0.093 1
1 37 . 7 1 1 A 5 5 GLY CA C 5 46.246 46.824 -0.578 1
1 38 . 7 1 1 A 5 5 GLY N N 5 109.070 110.815 -1.745 1
1 39 . 7 1 1 A 6 6 THR H H 6 8.002 7.945 0.057 1
1 40 . 7 1 1 A 6 6 THR HA H 6 4.357 4.631 -0.274 1
1 42 . 7 1 1 A 6 6 THR C C 6 174.839 175.201 -0.362 1
1 43 . 7 1 1 A 6 6 THR CA C 6 62.444 60.751 1.693 1
1 44 . 7 1 1 A 6 6 THR CB C 6 70.490 69.724 0.766 1
1 46 . 7 1 1 A 6 6 THR N N 6 112.809 114.362 -1.553 1
1 47 . 7 1 1 A 7 7 ALA H H 7 8.309 7.852 0.457 1
1 48 . 7 1 1 A 7 7 ALA HA H 7 4.322 4.451 -0.129 1
1 52 . 7 1 1 A 7 7 ALA C C 7 178.032 177.967 0.065 1
1 53 . 7 1 1 A 7 7 ALA CA C 7 53.792 53.631 0.161 1
1 54 . 7 1 1 A 7 7 ALA CB C 7 19.733 19.807 -0.074 1
1 55 . 7 1 1 A 7 7 ALA N N 7 125.292 124.913 0.379 1
1 56 . 7 1 1 A 8 8 GLU H H 8 8.358 7.868 0.490 1
1 57 . 7 1 1 A 8 8 GLU HA H 8 4.297 4.517 -0.220 1
1 59 . 7 1 1 A 8 8 GLU C C 8 176.936 174.556 2.380 1
1 60 . 7 1 1 A 8 8 GLU CA C 8 57.618 55.965 1.653 1
1 61 . 7 1 1 A 8 8 GLU CB C 8 30.792 29.862 0.930 1
1 63 . 7 1 1 A 8 8 GLU N N 8 118.943 115.130 3.813 1
1 64 . 7 1 1 A 9 9 THR H H 9 7.974 8.169 -0.195 1
1 65 . 7 1 1 A 9 9 THR HA H 9 4.365 4.674 -0.309 1
1 67 . 7 1 1 A 9 9 THR C C 9 174.629 173.070 1.559 1
1 68 . 7 1 1 A 9 9 THR CA C 9 62.617 61.457 1.160 1
1 69 . 7 1 1 A 9 9 THR CB C 9 70.422 69.659 0.763 1
1 71 . 7 1 1 A 9 9 THR N N 9 113.540 117.494 -3.954 1
1 72 . 7 1 1 A 10 10 LYS H H 10 8.242 8.109 0.133 1
1 73 . 7 1 1 A 10 10 LYS HA H 10 4.314 4.592 -0.278 1
1 75 . 7 1 1 A 10 10 LYS C C 10 176.513 176.361 0.152 1
1 76 . 7 1 1 A 10 10 LYS CA C 10 57.173 55.904 1.269 1
1 77 . 7 1 1 A 10 10 LYS CB C 10 33.511 33.312 0.199 1
1 81 . 7 1 1 A 10 10 LYS N N 10 123.339 127.076 -3.737 1
1 82 . 7 1 1 A 11 11 GLN H H 11 8.381 8.096 0.285 1
1 83 . 7 1 1 A 11 11 GLN HA H 11 4.322 4.432 -0.110 1
1 89 . 7 1 1 A 11 11 GLN C C 11 176.073 176.827 -0.754 1
1 90 . 7 1 1 A 11 11 GLN CA C 11 56.689 57.024 -0.335 1
1 91 . 7 1 1 A 11 11 GLN CB C 11 29.940 30.898 -0.958 1
1 93 . 7 1 1 A 11 11 GLN N N 11 120.885 120.512 0.373 1
1 95 . 7 1 1 A 12 12 GLU H H 12 8.407 8.060 0.347 1
1 96 . 7 1 1 A 12 12 GLU HA H 12 4.304 4.566 -0.262 1
1 98 . 7 1 1 A 12 12 GLU C C 12 176.253 175.227 1.026 1
1 99 . 7 1 1 A 12 12 GLU CA C 12 57.536 55.709 1.827 1
1 100 . 7 1 1 A 12 12 GLU CB C 12 30.799 29.582 1.217 1
1 102 . 7 1 1 A 12 12 GLU N N 12 121.152 114.835 6.317 1
1 103 . 7 1 1 A 13 13 LYS H H 13 8.220 7.795 0.425 1
1 104 . 7 1 1 A 13 13 LYS HA H 13 4.542 4.684 -0.142 1
1 108 . 7 1 1 A 13 13 LYS C C 13 175.856 174.237 1.619 1
1 109 . 7 1 1 A 13 13 LYS CA C 13 56.335 55.438 0.897 1
1 110 . 7 1 1 A 13 13 LYS CB C 13 33.863 32.708 1.155 1
1 114 . 7 1 1 A 13 13 LYS N N 13 121.312 122.859 -1.547 1
1 115 . 7 1 1 A 14 14 SER H H 14 8.447 8.289 0.158 1
1 116 . 7 1 1 A 14 14 SER HA H 14 4.639 5.018 -0.379 1
1 119 . 7 1 1 A 14 14 SER C C 14 175.529 175.210 0.319 1
1 120 . 7 1 1 A 14 14 SER CA C 14 58.802 57.245 1.557 1
1 121 . 7 1 1 A 14 14 SER CB C 14 64.803 66.561 -1.758 1
1 122 . 7 1 1 A 14 14 SER N N 14 116.487 119.990 -3.503 1
1 123 . 7 1 1 A 15 15 PHE H H 15 8.802 9.235 -0.433 1
1 124 . 7 1 1 A 15 15 PHE HA H 15 4.448 4.338 0.110 1
1 129 . 7 1 1 A 15 15 PHE C C 15 176.935 177.447 -0.512 1
1 130 . 7 1 1 A 15 15 PHE CA C 15 62.188 60.548 1.640 1
1 131 . 7 1 1 A 15 15 PHE CB C 15 39.721 38.082 1.639 1
1 132 . 7 1 1 A 15 15 PHE N N 15 124.339 122.737 1.602 1
1 133 . 7 1 1 A 16 16 VAL H H 16 8.025 7.500 0.525 1
1 134 . 7 1 1 A 16 16 VAL HA H 16 3.490 3.289 0.201 1
1 142 . 7 1 1 A 16 16 VAL C C 16 177.123 177.361 -0.238 1
1 143 . 7 1 1 A 16 16 VAL CA C 16 67.959 64.520 3.439 1
1 144 . 7 1 1 A 16 16 VAL CB C 16 32.250 30.639 1.611 1
1 147 . 7 1 1 A 16 16 VAL N N 16 118.329 120.775 -2.446 1
1 148 . 7 1 1 A 17 17 ASP H H 17 7.926 7.918 0.008 1
1 149 . 7 1 1 A 17 17 ASP HA H 17 4.354 4.313 0.041 1
1 152 . 7 1 1 A 17 17 ASP C C 17 179.625 178.241 1.384 1
1 153 . 7 1 1 A 17 17 ASP CA C 17 58.204 57.280 0.924 1
1 154 . 7 1 1 A 17 17 ASP CB C 17 41.324 41.462 -0.138 1
1 155 . 7 1 1 A 17 17 ASP N N 17 118.753 120.904 -2.151 1
1 156 . 7 1 1 A 18 18 TRP H H 18 8.174 7.930 0.244 1
1 157 . 7 1 1 A 18 18 TRP HA H 18 4.111 4.369 -0.258 1
1 163 . 7 1 1 A 18 18 TRP CA C 18 62.194 60.761 1.433 1
1 164 . 7 1 1 A 18 18 TRP CB C 18 29.150 29.598 -0.448 1
1 165 . 7 1 1 A 18 18 TRP N N 18 122.311 121.569 0.742 1
1 167 . 7 1 1 A 19 19 LEU H H 19 8.517 8.849 -0.332 1
1 168 . 7 1 1 A 19 19 LEU HA H 19 3.447 3.721 -0.274 1
1 178 . 7 1 1 A 19 19 LEU C C 19 179.115 179.050 0.065 1
1 179 . 7 1 1 A 19 19 LEU CA C 19 58.630 58.266 0.364 1
1 180 . 7 1 1 A 19 19 LEU CB C 19 42.676 42.080 0.596 1
1 184 . 7 1 1 A 19 19 LEU N N 19 120.943 121.380 -0.437 1
1 185 . 7 1 1 A 20 20 LEU H H 20 8.713 8.653 0.060 1
1 186 . 7 1 1 A 20 20 LEU HA H 20 3.972 3.996 -0.024 1
1 196 . 7 1 1 A 20 20 LEU C C 20 180.266 178.843 1.423 1
1 197 . 7 1 1 A 20 20 LEU CA C 20 58.318 57.648 0.670 1
1 198 . 7 1 1 A 20 20 LEU CB C 20 41.655 41.688 -0.033 1
1 202 . 7 1 1 A 20 20 LEU N N 20 117.598 119.339 -1.741 1
1 203 . 7 1 1 A 21 21 GLY H H 21 7.783 8.303 -0.520 1
1 204 . 7 1 1 A 21 21 GLY HA2 H 21 3.829 3.837 -0.008 1
1 205 . 7 1 1 A 21 21 GLY C C 21 175.390 175.396 -0.006 1
1 206 . 7 1 1 A 21 21 GLY CA C 21 46.978 46.679 0.299 1
1 207 . 7 1 1 A 21 21 GLY N N 21 106.102 107.135 -1.033 1
1 208 . 7 1 1 A 22 22 LYS H H 22 7.443 7.925 -0.482 1
1 209 . 7 1 1 A 22 22 LYS HA H 22 4.090 4.161 -0.071 1
1 217 . 7 1 1 A 22 22 LYS C C 22 177.806 178.256 -0.450 1
1 218 . 7 1 1 A 22 22 LYS CA C 22 56.974 59.037 -2.063 1
1 219 . 7 1 1 A 22 22 LYS CB C 22 32.718 32.320 0.398 1
1 223 . 7 1 1 A 22 22 LYS N N 22 118.883 120.807 -1.924 1
1 224 . 7 1 1 A 23 23 ILE H H 23 7.550 7.696 -0.146 1
1 225 . 7 1 1 A 23 23 ILE HA H 23 4.165 4.031 0.134 1
1 235 . 7 1 1 A 23 23 ILE C C 23 175.996 176.584 -0.588 1
1 236 . 7 1 1 A 23 23 ILE CA C 23 62.916 62.771 0.145 1
1 237 . 7 1 1 A 23 23 ILE CB C 23 39.444 38.347 1.097 1
1 241 . 7 1 1 A 23 23 ILE N N 23 114.457 118.612 -4.155 1
1 242 . 7 1 1 A 24 24 THR H H 24 7.778 7.598 0.180 1
1 243 . 7 1 1 A 24 24 THR HA H 24 4.379 4.536 -0.157 1
1 248 . 7 1 1 A 24 24 THR C C 24 174.616 175.638 -1.022 1
1 249 . 7 1 1 A 24 24 THR CA C 24 62.699 61.115 1.584 1
1 250 . 7 1 1 A 24 24 THR CB C 24 70.567 69.020 1.547 1
1 252 . 7 1 1 A 24 24 THR N N 24 113.224 116.084 -2.860 1
1 253 . 7 1 1 A 25 25 LYS H H 25 7.956 8.233 -0.277 1
1 259 . 7 1 1 A 25 25 LYS CA C 25 56.696 58.853 -2.157 1
1 260 . 7 1 1 A 25 25 LYS CB C 25 33.428 32.201 1.227 1
1 262 . 7 1 1 A 25 25 LYS N N 25 122.468 122.040 0.428 1
1 263 . 7 1 1 A 26 26 GLU H H 26 8.392 8.062 0.330 1
1 264 . 7 1 1 A 26 26 GLU HA H 26 4.230 4.604 -0.374 1
1 268 . 7 1 1 A 26 26 GLU C C 26 176.320 175.224 1.096 1
1 269 . 7 1 1 A 26 26 GLU CA C 26 57.616 55.460 2.156 1
1 270 . 7 1 1 A 26 26 GLU CB C 26 30.854 30.782 0.072 1
1 272 . 7 1 1 A 26 26 GLU N N 26 121.068 117.856 3.212 1
1 273 . 7 1 1 A 27 27 ASP H H 27 8.299 7.989 0.310 1
1 274 . 7 1 1 A 27 27 ASP HA H 27 4.496 4.566 -0.070 1
1 276 . 7 1 1 A 27 27 ASP C C 27 175.931 175.721 0.210 1
1 277 . 7 1 1 A 27 27 ASP CA C 27 55.161 54.450 0.711 1
1 278 . 7 1 1 A 27 27 ASP CB C 27 41.532 41.077 0.455 1
1 279 . 7 1 1 A 27 27 ASP N N 27 119.412 122.308 -2.896 1
1 280 . 7 1 1 A 28 28 GLN H H 28 8.108 8.230 -0.122 1
1 281 . 7 1 1 A 28 28 GLN HA H 28 4.215 5.189 -0.974 1
1 286 . 7 1 1 A 28 28 GLN C C 28 175.845 175.536 0.309 1
1 287 . 7 1 1 A 28 28 GLN CA C 28 56.559 54.400 2.159 1
1 288 . 7 1 1 A 28 28 GLN CB C 28 30.105 31.176 -1.071 1
1 290 . 7 1 1 A 28 28 GLN N N 28 119.037 125.007 -5.970 1
1 292 . 7 1 1 A 29 29 PHE H H 29 8.235 8.959 -0.724 1
1 293 . 7 1 1 A 29 29 PHE HA H 29 4.514 4.962 -0.448 1
1 299 . 7 1 1 A 29 29 PHE C C 29 175.361 174.060 1.301 1
1 300 . 7 1 1 A 29 29 PHE CA C 29 58.810 56.742 2.068 1
1 301 . 7 1 1 A 29 29 PHE CB C 29 40.000 39.924 0.076 1
1 302 . 7 1 1 A 29 29 PHE N N 29 120.622 116.640 3.982 1
1 303 . 7 1 1 A 30 30 TYR H H 30 7.715 7.224 0.491 1
1 304 . 7 1 1 A 30 30 TYR HA H 30 4.508 4.746 -0.238 1
1 310 . 7 1 1 A 30 30 TYR C C 30 175.416 174.553 0.863 1
1 311 . 7 1 1 A 30 30 TYR CA C 30 58.544 55.086 3.458 1
1 312 . 7 1 1 A 30 30 TYR CB C 30 39.613 41.048 -1.435 1
1 313 . 7 1 1 A 30 30 TYR N N 30 119.864 116.320 3.544 1
1 314 . 7 1 1 A 31 31 GLU H H 31 8.187 8.701 -0.514 1
1 315 . 7 1 1 A 31 31 GLU HA H 31 4.293 4.475 -0.182 1
1 319 . 7 1 1 A 31 31 GLU C C 31 176.148 176.330 -0.182 1
1 320 . 7 1 1 A 31 31 GLU CA C 31 57.172 56.613 0.559 1
1 321 . 7 1 1 A 31 31 GLU CB C 31 30.845 31.850 -1.005 1
1 323 . 7 1 1 A 31 31 GLU N N 31 121.546 118.194 3.352 1
1 324 . 7 1 1 A 32 32 THR H H 32 7.864 7.641 0.223 1
1 325 . 7 1 1 A 32 32 THR HA H 32 4.359 4.746 -0.387 1
1 330 . 7 1 1 A 32 32 THR C C 32 173.970 173.208 0.762 1
1 331 . 7 1 1 A 32 32 THR CA C 32 62.043 61.457 0.586 1
1 332 . 7 1 1 A 32 32 THR CB C 32 70.721 70.129 0.592 1
1 334 . 7 1 1 A 32 32 THR N N 32 113.695 113.914 -0.219 1
1 335 . 7 1 1 A 33 33 ASP H H 33 8.317 7.854 0.463 1
1 336 . 7 1 1 A 33 33 ASP HA H 33 4.880 4.942 -0.062 1
1 339 . 7 1 1 A 33 33 ASP CA C 33 53.661 51.912 1.749 1
1 340 . 7 1 1 A 33 33 ASP CB C 33 41.474 40.980 0.494 1
1 341 . 7 1 1 A 33 33 ASP N N 33 123.601 122.307 1.294 1
1 342 . 7 1 1 A 34 34 PRO HA H 34 4.408 4.182 0.226 1
1 348 . 7 1 1 A 34 34 PRO C C 34 174.420 175.979 -1.559 1
1 349 . 7 1 1 A 34 34 PRO CA C 34 64.164 62.265 1.899 1
1 350 . 7 1 1 A 34 34 PRO CB C 34 32.774 31.004 1.770 1
1 353 . 7 1 1 A 35 35 ILE H H 35 8.143 8.112 0.031 1
1 354 . 7 1 1 A 35 35 ILE HA H 35 4.046 4.951 -0.905 1
1 364 . 7 1 1 A 35 35 ILE C C 35 176.474 174.978 1.496 1
1 365 . 7 1 1 A 35 35 ILE CA C 35 62.937 58.586 4.351 1
1 366 . 7 1 1 A 35 35 ILE CB C 35 39.275 41.802 -2.527 1
1 370 . 7 1 1 A 35 35 ILE N N 35 120.322 117.534 2.788 1
1 371 . 7 1 1 A 36 36 LEU H H 36 7.975 8.866 -0.891 1
1 372 . 7 1 1 A 36 36 LEU HA H 36 4.398 4.756 -0.358 1
1 381 . 7 1 1 A 36 36 LEU C C 36 177.299 177.837 -0.538 1
1 382 . 7 1 1 A 36 36 LEU CA C 36 56.022 54.684 1.338 1
1 383 . 7 1 1 A 36 36 LEU CB C 36 42.837 42.173 0.664 1
1 387 . 7 1 1 A 36 36 LEU N N 36 121.023 125.881 -4.858 1
1 388 . 7 1 1 A 37 37 ARG H H 37 7.932 7.861 0.071 1
1 389 . 7 1 1 A 37 37 ARG HA H 37 4.345 4.366 -0.021 1
1 395 . 7 1 1 A 37 37 ARG C C 37 176.869 179.563 -2.694 1
1 396 . 7 1 1 A 37 37 ARG CA C 37 56.912 57.636 -0.724 1
1 397 . 7 1 1 A 37 37 ARG CB C 37 31.127 30.172 0.955 1
1 400 . 7 1 1 A 37 37 ARG N N 37 118.673 120.991 -2.318 1
1 402 . 7 1 1 A 38 38 GLY H H 38 8.271 8.392 -0.121 1
1 403 . 7 1 1 A 38 38 GLY HA2 H 38 3.986 3.772 0.214 1
1 404 . 7 1 1 A 38 38 GLY C C 38 174.864 176.766 -1.902 1
1 405 . 7 1 1 A 38 38 GLY CA C 38 46.258 47.286 -1.028 1
1 406 . 7 1 1 A 38 38 GLY N N 38 108.377 108.847 -0.470 1
1 407 . 7 1 1 A 39 39 GLY H H 39 8.218 8.172 0.046 1
1 408 . 7 1 1 A 39 39 GLY HA2 H 39 3.998 3.774 0.224 1
1 409 . 7 1 1 A 39 39 GLY C C 39 174.158 174.612 -0.454 1
1 410 . 7 1 1 A 39 39 GLY CA C 39 46.187 47.165 -0.978 1
1 411 . 7 1 1 A 39 39 GLY N N 39 108.485 109.322 -0.837 1
1 412 . 7 1 1 A 40 40 ASP H H 40 8.274 8.263 0.011 1
1 413 . 7 1 1 A 40 40 ASP HA H 40 4.699 4.339 0.360 1
1 415 . 7 1 1 A 40 40 ASP C C 40 176.791 176.492 0.299 1
1 416 . 7 1 1 A 40 40 ASP CA C 40 55.105 54.831 0.274 1
1 417 . 7 1 1 A 40 40 ASP CB C 40 41.715 39.097 2.618 1
1 418 . 7 1 1 A 40 40 ASP N N 40 120.261 118.966 1.295 1
1 419 . 7 1 1 A 41 41 VAL H H 41 8.071 7.972 0.099 1
1 420 . 7 1 1 A 41 41 VAL HA H 41 3.993 3.933 0.060 1
1 425 . 7 1 1 A 41 41 VAL C C 41 176.869 175.699 1.170 1
1 426 . 7 1 1 A 41 41 VAL CA C 41 64.502 64.798 -0.296 1
1 427 . 7 1 1 A 41 41 VAL CB C 41 32.773 32.571 0.202 1
1 429 . 7 1 1 A 41 41 VAL N N 41 120.111 124.731 -4.620 1
1 430 . 7 1 1 A 42 42 LYS H H 42 8.213 8.043 0.170 1
1 431 . 7 1 1 A 42 42 LYS HA H 42 4.299 3.988 0.311 1
1 434 . 7 1 1 A 42 42 LYS C C 42 177.041 176.480 0.561 1
1 435 . 7 1 1 A 42 42 LYS CA C 42 57.639 57.165 0.474 1
1 436 . 7 1 1 A 42 42 LYS CB C 42 33.227 30.987 2.240 1
1 440 . 7 1 1 A 42 42 LYS N N 42 121.557 121.785 -0.228 1
1 441 . 7 1 1 A 43 43 SER H H 43 8.126 8.160 -0.034 1
1 442 . 7 1 1 A 43 43 SER HA H 43 4.452 4.729 -0.277 1
1 444 . 7 1 1 A 43 43 SER C C 43 175.085 174.377 0.708 1
1 445 . 7 1 1 A 43 43 SER CA C 43 59.403 59.930 -0.527 1
1 446 . 7 1 1 A 43 43 SER CB C 43 64.208 65.795 -1.587 1
1 447 . 7 1 1 A 43 43 SER N N 43 115.295 113.198 2.097 1
1 448 . 7 1 1 A 44 44 SER H H 44 8.251 7.893 0.358 1
1 449 . 7 1 1 A 44 44 SER HA H 44 4.479 4.661 -0.182 1
1 451 . 7 1 1 A 44 44 SER C C 44 175.331 173.512 1.819 1
1 452 . 7 1 1 A 44 44 SER CA C 44 59.701 57.496 2.205 1
1 453 . 7 1 1 A 44 44 SER CB C 44 64.453 65.330 -0.877 1
1 454 . 7 1 1 A 44 44 SER N N 44 117.357 112.221 5.136 1
1 455 . 7 1 1 A 45 45 GLY H H 45 8.401 8.713 -0.312 1
1 456 . 7 1 1 A 45 45 GLY HA2 H 45 4.030 4.076 -0.046 1
1 457 . 7 1 1 A 45 45 GLY C C 45 174.472 174.779 -0.307 1
1 458 . 7 1 1 A 45 45 GLY CA C 45 46.258 44.431 1.827 1
1 459 . 7 1 1 A 45 45 GLY N N 45 110.523 108.606 1.917 1
1 460 . 7 1 1 A 46 46 SER H H 46 8.177 8.552 -0.375 1
1 461 . 7 1 1 A 46 46 SER HA H 46 4.536 4.336 0.200 1
1 463 . 7 1 1 A 46 46 SER C C 46 175.206 175.055 0.151 1
1 464 . 7 1 1 A 46 46 SER CA C 46 59.244 62.349 -3.105 1
1 465 . 7 1 1 A 46 46 SER CB C 46 64.484 63.719 0.765 1
1 466 . 7 1 1 A 46 46 SER N N 46 115.297 114.931 0.366 1
1 467 . 7 1 1 A 47 47 THR H H 47 8.198 7.836 0.362 1
1 468 . 7 1 1 A 47 47 THR HA H 47 4.432 4.392 0.040 1
1 470 . 7 1 1 A 47 47 THR C C 47 174.939 172.793 2.146 1
1 471 . 7 1 1 A 47 47 THR CA C 47 62.746 62.395 0.351 1
1 472 . 7 1 1 A 47 47 THR CB C 47 70.246 68.778 1.468 1
1 474 . 7 1 1 A 47 47 THR N N 47 114.635 114.349 0.286 1
1 475 . 7 1 1 A 48 48 SER H H 48 8.228 8.236 -0.008 1
1 476 . 7 1 1 A 48 48 SER HA H 48 4.473 4.847 -0.374 1
1 478 . 7 1 1 A 48 48 SER C C 48 175.241 173.351 1.890 1
1 479 . 7 1 1 A 48 48 SER CA C 48 59.480 57.282 2.198 1
1 480 . 7 1 1 A 48 48 SER CB C 48 64.429 65.764 -1.335 1
1 481 . 7 1 1 A 48 48 SER N N 48 117.146 113.577 3.569 1
1 482 . 7 1 1 A 49 49 GLY H H 49 8.342 8.513 -0.171 1
1 483 . 7 1 1 A 49 49 GLY HA2 H 49 4.048 4.096 -0.048 1
1 484 . 7 1 1 A 49 49 GLY C C 49 174.776 174.869 -0.093 1
1 485 . 7 1 1 A 49 49 GLY CA C 49 46.233 45.796 0.437 1
1 486 . 7 1 1 A 49 49 GLY N N 49 110.627 110.219 0.408 1
1 487 . 7 1 1 A 50 50 LYS H H 50 8.124 8.279 -0.155 1
1 488 . 7 1 1 A 50 50 LYS HA H 50 4.302 4.409 -0.107 1
1 490 . 7 1 1 A 50 50 LYS C C 50 176.932 176.558 0.374 1
1 491 . 7 1 1 A 50 50 LYS CA C 50 57.333 57.902 -0.569 1
1 492 . 7 1 1 A 50 50 LYS CB C 50 33.497 33.624 -0.127 1
1 496 . 7 1 1 A 50 50 LYS N N 50 120.037 117.443 2.594 1
1 497 . 7 1 1 A 51 51 LYS H H 51 8.089 7.648 0.441 1
1 498 . 7 1 1 A 51 51 LYS HA H 51 4.325 4.622 -0.297 1
1 500 . 7 1 1 A 51 51 LYS C C 51 177.169 176.180 0.989 1
1 501 . 7 1 1 A 51 51 LYS CA C 51 57.251 55.081 2.170 1
1 502 . 7 1 1 A 51 51 LYS CB C 51 33.293 34.541 -1.248 1
1 506 . 7 1 1 A 51 51 LYS N N 51 120.805 113.390 7.415 1
1 507 . 7 1 1 A 52 52 GLY H H 52 8.304 8.866 -0.562 1
1 508 . 7 1 1 A 52 52 GLY HA2 H 52 4.005 3.836 0.169 1
1 509 . 7 1 1 A 52 52 GLY C C 52 174.545 174.931 -0.386 1
1 510 . 7 1 1 A 52 52 GLY CA C 52 46.250 46.264 -0.014 1
1 511 . 7 1 1 A 52 52 GLY N N 52 109.109 108.148 0.961 1
1 512 . 7 1 1 A 53 53 GLY H H 53 8.201 7.774 0.427 1
1 513 . 7 1 1 A 53 53 GLY HA2 H 53 4.051 4.009 0.042 1
1 514 . 7 1 1 A 53 53 GLY C C 53 174.771 175.061 -0.290 1
1 515 . 7 1 1 A 53 53 GLY CA C 53 46.204 45.207 0.997 1
1 516 . 7 1 1 A 53 53 GLY N N 53 108.474 107.109 1.365 1
1 517 . 7 1 1 A 54 54 THR H H 54 8.115 8.091 0.024 1
1 518 . 7 1 1 A 54 54 THR HA H 54 4.442 3.977 0.465 1
1 522 . 7 1 1 A 54 54 THR C C 54 175.190 173.892 1.298 1
1 523 . 7 1 1 A 54 54 THR CA C 54 62.904 62.872 0.032 1
1 524 . 7 1 1 A 54 54 THR CB C 54 70.261 66.546 3.715 1
1 525 . 7 1 1 A 54 54 THR N N 54 113.386 110.943 2.443 1
1 526 . 7 1 1 A 55 55 THR H H 55 8.158 8.337 -0.179 1
1 527 . 7 1 1 A 55 55 THR HA H 55 4.452 3.941 0.511 1
1 531 . 7 1 1 A 55 55 THR C C 55 175.050 172.979 2.071 1
1 532 . 7 1 1 A 55 55 THR CA C 55 62.740 62.888 -0.148 1
1 533 . 7 1 1 A 55 55 THR CB C 55 70.171 66.534 3.637 1
1 535 . 7 1 1 A 55 55 THR N N 55 114.825 107.872 6.953 1
1 536 . 7 1 1 A 56 56 SER H H 56 8.233 7.641 0.592 1
1 537 . 7 1 1 A 56 56 SER HA H 56 4.484 4.690 -0.206 1
1 539 . 7 1 1 A 56 56 SER C C 56 175.314 172.984 2.330 1
1 540 . 7 1 1 A 56 56 SER CA C 56 59.419 57.875 1.544 1
1 541 . 7 1 1 A 56 56 SER CB C 56 64.576 64.083 0.493 1
1 542 . 7 1 1 A 56 56 SER N N 56 117.144 114.988 2.156 1
1 543 . 7 1 1 A 57 57 GLY H H 57 8.340 8.677 -0.337 1
1 544 . 7 1 1 A 57 57 GLY HA2 H 57 4.043 4.223 -0.180 1
1 545 . 7 1 1 A 57 57 GLY C C 57 176.801 174.549 2.252 1
1 546 . 7 1 1 A 57 57 GLY CA C 57 45.927 44.927 1.000 1
1 547 . 7 1 1 A 57 57 GLY N N 57 110.613 114.572 -3.959 1
1 548 . 7 1 1 A 58 58 LYS H H 58 8.125 8.880 -0.755 1
1 549 . 7 1 1 A 58 58 LYS HA H 58 4.313 3.974 0.339 1
1 554 . 7 1 1 A 58 58 LYS C C 58 176.220 175.547 0.673 1
1 555 . 7 1 1 A 58 58 LYS CA C 58 57.524 56.843 0.681 1
1 556 . 7 1 1 A 58 58 LYS CB C 58 33.485 31.139 2.346 1
1 560 . 7 1 1 A 58 58 LYS N N 58 120.526 123.890 -3.364 1
1 561 . 7 1 1 A 59 59 LYS H H 59 8.227 8.582 -0.355 1
1 562 . 7 1 1 A 59 59 LYS HA H 59 4.202 4.357 -0.155 1
1 567 . 7 1 1 A 59 59 LYS C C 59 177.075 177.277 -0.202 1
1 568 . 7 1 1 A 59 59 LYS CA C 59 58.240 55.505 2.735 1
1 569 . 7 1 1 A 59 59 LYS CB C 59 33.354 32.743 0.611 1
1 573 . 7 1 1 A 59 59 LYS N N 59 121.098 124.203 -3.105 1
1 574 . 7 1 1 A 60 60 GLY H H 60 8.337 8.634 -0.297 1
1 575 . 7 1 1 A 60 60 GLY HA2 H 60 4.047 3.902 0.145 1
1 576 . 7 1 1 A 60 60 GLY C C 60 174.631 174.277 0.354 1
1 577 . 7 1 1 A 60 60 GLY CA C 60 46.282 45.438 0.844 1
1 578 . 7 1 1 A 60 60 GLY N N 60 109.436 112.490 -3.054 1
1 579 . 7 1 1 A 61 61 THR H H 61 7.947 7.713 0.234 1
1 580 . 7 1 1 A 61 61 THR HA H 61 4.396 4.632 -0.236 1
1 585 . 7 1 1 A 61 61 THR C C 61 174.470 174.637 -0.167 1
1 586 . 7 1 1 A 61 61 THR CA C 61 62.795 60.912 1.883 1
1 587 . 7 1 1 A 61 61 THR CB C 61 70.637 70.220 0.417 1
1 589 . 7 1 1 A 61 61 THR N N 61 112.095 114.151 -2.056 1
1 590 . 7 1 1 A 62 62 VAL H H 62 7.788 8.031 -0.243 1
1 591 . 7 1 1 A 62 62 VAL HA H 62 4.243 4.398 -0.155 1
1 596 . 7 1 1 A 62 62 VAL CA C 62 62.733 63.421 -0.688 1
1 597 . 7 1 1 A 62 62 VAL CB C 62 33.693 33.938 -0.245 1
1 599 . 7 1 1 A 62 62 VAL N N 62 120.973 121.807 -0.834 1
1 600 . 7 1 1 A 63 63 SER H H 63 8.052 7.819 0.233 1
1 601 . 7 1 1 A 63 63 SER HA H 63 4.665 4.307 0.358 1
1 604 . 7 1 1 A 63 63 SER CA C 63 57.747 61.555 -3.808 1
1 605 . 7 1 1 A 63 63 SER CB C 63 64.991 63.195 1.796 1
1 606 . 7 1 1 A 63 63 SER N N 63 119.427 115.215 4.212 1
1 607 . 7 1 1 A 64 64 ILE H H 64 8.191 7.216 0.975 1
1 608 . 7 1 1 A 64 64 ILE HA H 64 4.313 4.253 0.060 1
1 617 . 7 1 1 A 64 64 ILE CA C 64 59.873 60.197 -0.324 1
1 618 . 7 1 1 A 64 64 ILE CB C 64 38.818 37.701 1.117 1
1 621 . 7 1 1 A 64 64 ILE N N 64 122.947 118.784 4.163 1
1 622 . 7 1 1 A 65 65 PRO HA H 65 4.466 4.588 -0.122 1
1 628 . 7 1 1 A 65 65 PRO CA C 65 64.303 63.836 0.467 1
1 629 . 7 1 1 A 65 65 PRO CB C 65 32.672 31.820 0.852 1
1 632 . 7 1 1 A 66 66 SER H H 66 8.002 7.836 0.166 1
1 633 . 7 1 1 A 66 66 SER HA H 66 4.498 4.104 0.394 1
1 635 . 7 1 1 A 66 66 SER CA C 66 58.702 59.458 -0.756 1
1 636 . 7 1 1 A 66 66 SER CB C 66 64.819 62.848 1.971 1
1 637 . 7 1 1 A 66 66 SER N N 66 112.889 115.369 -2.480 1
1 638 . 7 1 1 A 67 67 LYS H H 67 8.137 9.341 -1.204 1
1 639 . 7 1 1 A 67 67 LYS HA H 67 4.347 3.938 0.409 1
1 641 . 7 1 1 A 67 67 LYS C C 67 176.555 175.781 0.774 1
1 642 . 7 1 1 A 67 67 LYS CA C 67 57.061 57.436 -0.375 1
1 643 . 7 1 1 A 67 67 LYS CB C 67 33.669 30.202 3.467 1
1 647 . 7 1 1 A 67 67 LYS N N 67 122.114 126.043 -3.929 1
1 648 . 7 1 1 A 68 68 LYS H H 68 8.118 8.369 -0.251 1
1 649 . 7 1 1 A 68 68 LYS HA H 68 4.322 3.939 0.383 1
1 651 . 7 1 1 A 68 68 LYS C C 68 176.446 176.268 0.178 1
1 652 . 7 1 1 A 68 68 LYS CA C 68 57.043 57.048 -0.005 1
1 653 . 7 1 1 A 68 68 LYS CB C 68 33.531 29.984 3.547 1
1 657 . 7 1 1 A 68 68 LYS N N 68 121.435 110.957 10.478 1
1 658 . 7 1 1 A 69 69 LYS H H 69 8.394 8.332 0.062 1
1 659 . 7 1 1 A 69 69 LYS HA H 69 4.351 4.077 0.274 1
1 663 . 7 1 1 A 69 69 LYS C C 69 175.623 176.049 -0.426 1
1 664 . 7 1 1 A 69 69 LYS CA C 69 56.762 58.136 -1.374 1
1 665 . 7 1 1 A 69 69 LYS CB C 69 33.782 32.604 1.178 1
1 669 . 7 1 1 A 69 69 LYS N N 69 121.052 118.883 2.169 1
1 670 . 7 1 1 A 70 70 ASN H H 70 8.014 7.929 0.085 1
1 671 . 7 1 1 A 70 70 ASN HA H 70 4.515 4.436 0.079 1
1 675 . 7 1 1 A 70 70 ASN CA C 70 55.331 54.529 0.802 1
1 676 . 7 1 1 A 70 70 ASN CB C 70 41.478 36.654 4.824 1
1 677 . 7 1 1 A 70 70 ASN N N 70 125.005 115.023 9.982 1
1 679 . 7 1 1 A 71 71 GLY H H 71 8.255 8.138 0.117 1
1 680 . 7 1 1 A 71 71 GLY HA2 H 71 3.986 3.919 0.067 1
1 681 . 7 1 1 A 71 71 GLY C C 71 174.458 174.391 0.067 1
1 682 . 7 1 1 A 71 71 GLY CA C 71 46.110 45.707 0.403 1
1 683 . 7 1 1 A 71 71 GLY N N 71 114.247 105.345 8.902 1
1 684 . 7 1 1 A 72 72 ASN H H 72 8.462 8.107 0.355 1
1 685 . 7 1 1 A 72 72 ASN HA H 72 4.796 4.978 -0.182 1
1 689 . 7 1 1 A 72 72 ASN C C 72 175.757 176.270 -0.513 1
1 690 . 7 1 1 A 72 72 ASN CA C 72 53.882 52.294 1.588 1
1 691 . 7 1 1 A 72 72 ASN CB C 72 39.885 37.850 2.035 1
1 692 . 7 1 1 A 72 72 ASN N N 72 118.314 117.626 0.688 1
1 694 . 7 1 1 A 73 73 GLY H H 73 8.469 8.273 0.196 1
1 695 . 7 1 1 A 73 73 GLY HA2 H 73 3.968 3.815 0.153 1
1 696 . 7 1 1 A 73 73 GLY C C 73 174.791 174.193 0.598 1
1 697 . 7 1 1 A 73 73 GLY CA C 73 46.247 45.202 1.045 1
1 698 . 7 1 1 A 73 73 GLY N N 73 109.019 109.187 -0.168 1
1 699 . 7 1 1 A 74 74 GLY H H 74 7.946 7.499 0.447 1
1 700 . 7 1 1 A 74 74 GLY HA2 H 74 4.112 4.044 0.068 1
1 701 . 7 1 1 A 74 74 GLY HA3 H 74 4.177 4.131 0.046 1
1 702 . 7 1 1 A 74 74 GLY C C 74 175.399 174.665 0.734 1
1 703 . 7 1 1 A 74 74 GLY CA C 74 45.825 45.928 -0.103 1
1 704 . 7 1 1 A 74 74 GLY N N 74 108.672 106.957 1.715 1
1 705 . 7 1 1 A 75 75 VAL H H 75 8.168 8.754 -0.586 1
1 706 . 7 1 1 A 75 75 VAL HA H 75 3.881 3.723 0.158 1
1 714 . 7 1 1 A 75 75 VAL C C 75 176.466 176.195 0.271 1
1 715 . 7 1 1 A 75 75 VAL CA C 75 64.845 65.490 -0.645 1
1 716 . 7 1 1 A 75 75 VAL CB C 75 32.811 31.913 0.898 1
1 719 . 7 1 1 A 75 75 VAL N N 75 119.832 124.074 -4.242 1
1 720 . 7 1 1 A 76 76 PHE H H 76 8.138 8.023 0.115 1
1 721 . 7 1 1 A 76 76 PHE HA H 76 4.664 4.715 -0.051 1
1 729 . 7 1 1 A 76 76 PHE C C 76 176.775 176.109 0.666 1
1 730 . 7 1 1 A 76 76 PHE CA C 76 58.810 56.762 2.048 1
1 731 . 7 1 1 A 76 76 PHE CB C 76 39.177 41.046 -1.869 1
1 732 . 7 1 1 A 76 76 PHE N N 76 118.007 118.306 -0.299 1
1 733 . 7 1 1 A 77 77 GLY H H 77 8.080 8.461 -0.381 1
1 734 . 7 1 1 A 77 77 GLY HA2 H 77 3.948 4.015 -0.067 1
1 735 . 7 1 1 A 77 77 GLY C C 77 175.581 174.797 0.784 1
1 736 . 7 1 1 A 77 77 GLY CA C 77 47.292 45.853 1.439 1
1 737 . 7 1 1 A 77 77 GLY N N 77 107.115 112.005 -4.890 1
1 738 . 7 1 1 A 78 78 GLY H H 78 8.136 8.178 -0.042 1
1 739 . 7 1 1 A 78 78 GLY HA2 H 78 4.011 4.147 -0.136 1
1 740 . 7 1 1 A 78 78 GLY C C 78 175.337 174.731 0.606 1
1 741 . 7 1 1 A 78 78 GLY CA C 78 46.315 44.964 1.351 1
1 742 . 7 1 1 A 78 78 GLY N N 78 108.462 108.779 -0.317 1
1 743 . 7 1 1 A 79 79 LEU H H 79 7.641 7.765 -0.124 1
1 744 . 7 1 1 A 79 79 LEU HA H 79 4.022 4.395 -0.373 1
1 753 . 7 1 1 A 79 79 LEU C C 79 177.256 178.155 -0.899 1
1 754 . 7 1 1 A 79 79 LEU CA C 79 57.813 56.025 1.788 1
1 755 . 7 1 1 A 79 79 LEU CB C 79 43.316 43.175 0.141 1
1 759 . 7 1 1 A 79 79 LEU N N 79 121.664 119.006 2.658 1
1 760 . 7 1 1 A 80 80 PHE H H 80 7.944 8.019 -0.075 1
1 761 . 7 1 1 A 80 80 PHE HA H 80 4.633 4.471 0.162 1
1 768 . 7 1 1 A 80 80 PHE C C 80 175.433 176.057 -0.624 1
1 769 . 7 1 1 A 80 80 PHE CA C 80 58.208 59.419 -1.211 1
1 770 . 7 1 1 A 80 80 PHE CB C 80 39.615 40.426 -0.811 1
1 771 . 7 1 1 A 80 80 PHE N N 80 114.796 115.133 -0.337 1
1 772 . 7 1 1 A 81 81 ALA H H 81 7.611 7.667 -0.056 1
1 773 . 7 1 1 A 81 81 ALA HA H 81 4.364 4.274 0.090 1
1 777 . 7 1 1 A 81 81 ALA C C 81 177.568 177.874 -0.306 1
1 778 . 7 1 1 A 81 81 ALA CA C 81 52.989 52.334 0.655 1
1 779 . 7 1 1 A 81 81 ALA CB C 81 19.902 20.155 -0.253 1
1 780 . 7 1 1 A 81 81 ALA N N 81 122.618 121.681 0.937 1
1 781 . 7 1 1 A 82 82 LYS H H 82 8.155 8.854 -0.699 1
1 782 . 7 1 1 A 82 82 LYS HA H 82 4.313 3.900 0.413 1
1 784 . 7 1 1 A 82 82 LYS C C 82 176.941 174.990 1.951 1
1 785 . 7 1 1 A 82 82 LYS CA C 82 57.023 56.908 0.115 1
1 786 . 7 1 1 A 82 82 LYS CB C 82 33.299 31.086 2.213 1
1 789 . 7 1 1 A 82 82 LYS N N 82 120.345 116.675 3.670 1
1 790 . 7 1 1 A 83 83 LYS H H 83 8.256 7.926 0.330 1
1 791 . 7 1 1 A 83 83 LYS HA H 83 4.378 4.977 -0.599 1
1 794 . 7 1 1 A 83 83 LYS CA C 83 56.618 54.611 2.007 1
1 795 . 7 1 1 A 83 83 LYS CB C 83 33.767 35.650 -1.883 1
1 799 . 7 1 1 A 83 83 LYS N N 83 122.901 123.577 -0.676 1
1 6 . 8 1 1 A 2 2 ALA H H 2 8.448 7.725 0.723 1
1 7 . 8 1 1 A 2 2 ALA HA H 2 4.314 4.332 -0.018 1
1 11 . 8 1 1 A 2 2 ALA C C 2 177.731 177.312 0.419 1
1 12 . 8 1 1 A 2 2 ALA CA C 2 53.711 52.829 0.882 1
1 13 . 8 1 1 A 2 2 ALA CB C 2 19.629 19.103 0.526 1
1 14 . 8 1 1 A 2 2 ALA N N 2 125.995 123.042 2.953 1
1 15 . 8 1 1 A 3 3 ALA H H 3 8.148 8.844 -0.696 1
1 16 . 8 1 1 A 3 3 ALA HA H 3 4.292 4.807 -0.515 1
1 20 . 8 1 1 A 3 3 ALA C C 3 177.888 175.299 2.589 1
1 21 . 8 1 1 A 3 3 ALA CA C 3 53.439 51.297 2.142 1
1 22 . 8 1 1 A 3 3 ALA CB C 3 19.671 22.812 -3.141 1
1 23 . 8 1 1 A 3 3 ALA N N 3 121.767 124.629 -2.862 1
1 24 . 8 1 1 A 4 4 LYS H H 4 8.047 8.333 -0.286 1
1 25 . 8 1 1 A 4 4 LYS HA H 4 4.314 5.189 -0.875 1
1 27 . 8 1 1 A 4 4 LYS C C 4 177.363 175.691 1.672 1
1 28 . 8 1 1 A 4 4 LYS CA C 4 57.279 54.397 2.882 1
1 29 . 8 1 1 A 4 4 LYS CB C 4 33.570 35.538 -1.968 1
1 33 . 8 1 1 A 4 4 LYS N N 4 119.233 117.875 1.358 1
1 34 . 8 1 1 A 5 5 GLY H H 5 8.317 8.550 -0.233 1
1 35 . 8 1 1 A 5 5 GLY HA2 H 5 4.039 4.265 -0.226 1
1 36 . 8 1 1 A 5 5 GLY C C 5 174.706 174.548 0.158 1
1 37 . 8 1 1 A 5 5 GLY CA C 5 46.246 45.841 0.405 1
1 38 . 8 1 1 A 5 5 GLY N N 5 109.070 111.270 -2.200 1
1 39 . 8 1 1 A 6 6 THR H H 6 8.002 7.904 0.098 1
1 40 . 8 1 1 A 6 6 THR HA H 6 4.357 4.812 -0.455 1
1 42 . 8 1 1 A 6 6 THR C C 6 174.839 175.167 -0.328 1
1 43 . 8 1 1 A 6 6 THR CA C 6 62.444 60.640 1.804 1
1 44 . 8 1 1 A 6 6 THR CB C 6 70.490 69.960 0.530 1
1 46 . 8 1 1 A 6 6 THR N N 6 112.809 112.359 0.450 1
1 47 . 8 1 1 A 7 7 ALA H H 7 8.309 8.411 -0.102 1
1 48 . 8 1 1 A 7 7 ALA HA H 7 4.322 4.606 -0.284 1
1 52 . 8 1 1 A 7 7 ALA C C 7 178.032 178.065 -0.033 1
1 53 . 8 1 1 A 7 7 ALA CA C 7 53.792 51.477 2.315 1
1 54 . 8 1 1 A 7 7 ALA CB C 7 19.733 18.224 1.509 1
1 55 . 8 1 1 A 7 7 ALA N N 7 125.292 126.546 -1.254 1
1 56 . 8 1 1 A 8 8 GLU H H 8 8.358 8.335 0.023 1
1 57 . 8 1 1 A 8 8 GLU HA H 8 4.297 4.043 0.254 1
1 59 . 8 1 1 A 8 8 GLU C C 8 176.936 176.053 0.883 1
1 60 . 8 1 1 A 8 8 GLU CA C 8 57.618 58.552 -0.934 1
1 61 . 8 1 1 A 8 8 GLU CB C 8 30.792 29.038 1.754 1
1 63 . 8 1 1 A 8 8 GLU N N 8 118.943 113.877 5.066 1
1 64 . 8 1 1 A 9 9 THR H H 9 7.974 8.424 -0.450 1
1 65 . 8 1 1 A 9 9 THR HA H 9 4.365 3.792 0.573 1
1 67 . 8 1 1 A 9 9 THR C C 9 174.629 173.338 1.291 1
1 68 . 8 1 1 A 9 9 THR CA C 9 62.617 63.027 -0.410 1
1 69 . 8 1 1 A 9 9 THR CB C 9 70.422 66.832 3.590 1
1 71 . 8 1 1 A 9 9 THR N N 9 113.540 111.473 2.067 1
1 72 . 8 1 1 A 10 10 LYS H H 10 8.242 7.736 0.506 1
1 73 . 8 1 1 A 10 10 LYS HA H 10 4.314 4.610 -0.296 1
1 75 . 8 1 1 A 10 10 LYS C C 10 176.513 176.239 0.274 1
1 76 . 8 1 1 A 10 10 LYS CA C 10 57.173 54.746 2.427 1
1 77 . 8 1 1 A 10 10 LYS CB C 10 33.511 34.769 -1.258 1
1 81 . 8 1 1 A 10 10 LYS N N 10 123.339 120.161 3.178 1
1 82 . 8 1 1 A 11 11 GLN H H 11 8.381 8.896 -0.515 1
1 83 . 8 1 1 A 11 11 GLN HA H 11 4.322 4.037 0.285 1
1 89 . 8 1 1 A 11 11 GLN C C 11 176.073 175.382 0.691 1
1 90 . 8 1 1 A 11 11 GLN CA C 11 56.689 57.881 -1.192 1
1 91 . 8 1 1 A 11 11 GLN CB C 11 29.940 27.357 2.583 1
1 93 . 8 1 1 A 11 11 GLN N N 11 120.885 119.052 1.833 1
1 95 . 8 1 1 A 12 12 GLU H H 12 8.407 8.515 -0.108 1
1 96 . 8 1 1 A 12 12 GLU HA H 12 4.304 4.186 0.118 1
1 98 . 8 1 1 A 12 12 GLU C C 12 176.253 176.436 -0.183 1
1 99 . 8 1 1 A 12 12 GLU CA C 12 57.536 55.585 1.951 1
1 100 . 8 1 1 A 12 12 GLU CB C 12 30.799 28.575 2.224 1
1 102 . 8 1 1 A 12 12 GLU N N 12 121.152 122.696 -1.544 1
1 103 . 8 1 1 A 13 13 LYS H H 13 8.220 8.534 -0.314 1
1 104 . 8 1 1 A 13 13 LYS HA H 13 4.542 4.607 -0.065 1
1 108 . 8 1 1 A 13 13 LYS C C 13 175.856 175.118 0.738 1
1 109 . 8 1 1 A 13 13 LYS CA C 13 56.335 55.134 1.201 1
1 110 . 8 1 1 A 13 13 LYS CB C 13 33.863 33.355 0.508 1
1 114 . 8 1 1 A 13 13 LYS N N 13 121.312 128.615 -7.303 1
1 115 . 8 1 1 A 14 14 SER H H 14 8.447 7.435 1.012 1
1 116 . 8 1 1 A 14 14 SER HA H 14 4.639 4.877 -0.238 1
1 119 . 8 1 1 A 14 14 SER C C 14 175.529 175.272 0.257 1
1 120 . 8 1 1 A 14 14 SER CA C 14 58.802 55.845 2.957 1
1 121 . 8 1 1 A 14 14 SER CB C 14 64.803 66.033 -1.230 1
1 122 . 8 1 1 A 14 14 SER N N 14 116.487 117.810 -1.323 1
1 123 . 8 1 1 A 15 15 PHE H H 15 8.802 9.142 -0.340 1
1 124 . 8 1 1 A 15 15 PHE HA H 15 4.448 4.320 0.128 1
1 129 . 8 1 1 A 15 15 PHE C C 15 176.935 177.543 -0.608 1
1 130 . 8 1 1 A 15 15 PHE CA C 15 62.188 60.741 1.447 1
1 131 . 8 1 1 A 15 15 PHE CB C 15 39.721 38.119 1.602 1
1 132 . 8 1 1 A 15 15 PHE N N 15 124.339 122.755 1.584 1
1 133 . 8 1 1 A 16 16 VAL H H 16 8.025 7.422 0.603 1
1 134 . 8 1 1 A 16 16 VAL HA H 16 3.490 3.459 0.031 1
1 142 . 8 1 1 A 16 16 VAL C C 16 177.123 177.286 -0.163 1
1 143 . 8 1 1 A 16 16 VAL CA C 16 67.959 64.635 3.324 1
1 144 . 8 1 1 A 16 16 VAL CB C 16 32.250 30.720 1.530 1
1 147 . 8 1 1 A 16 16 VAL N N 16 118.329 120.910 -2.581 1
1 148 . 8 1 1 A 17 17 ASP H H 17 7.926 8.013 -0.087 1
1 149 . 8 1 1 A 17 17 ASP HA H 17 4.354 4.337 0.017 1
1 152 . 8 1 1 A 17 17 ASP C C 17 179.625 178.246 1.379 1
1 153 . 8 1 1 A 17 17 ASP CA C 17 58.204 57.229 0.975 1
1 154 . 8 1 1 A 17 17 ASP CB C 17 41.324 41.172 0.152 1
1 155 . 8 1 1 A 17 17 ASP N N 17 118.753 121.065 -2.312 1
1 156 . 8 1 1 A 18 18 TRP H H 18 8.174 8.023 0.151 1
1 157 . 8 1 1 A 18 18 TRP HA H 18 4.111 4.375 -0.264 1
1 163 . 8 1 1 A 18 18 TRP CA C 18 62.194 60.794 1.400 1
1 164 . 8 1 1 A 18 18 TRP CB C 18 29.150 29.624 -0.474 1
1 165 . 8 1 1 A 18 18 TRP N N 18 122.311 121.596 0.715 1
1 167 . 8 1 1 A 19 19 LEU H H 19 8.517 8.776 -0.259 1
1 168 . 8 1 1 A 19 19 LEU HA H 19 3.447 3.735 -0.288 1
1 178 . 8 1 1 A 19 19 LEU C C 19 179.115 178.784 0.331 1
1 179 . 8 1 1 A 19 19 LEU CA C 19 58.630 58.315 0.315 1
1 180 . 8 1 1 A 19 19 LEU CB C 19 42.676 41.898 0.778 1
1 184 . 8 1 1 A 19 19 LEU N N 19 120.943 121.080 -0.137 1
1 185 . 8 1 1 A 20 20 LEU H H 20 8.713 8.519 0.194 1
1 186 . 8 1 1 A 20 20 LEU HA H 20 3.972 4.007 -0.035 1
1 196 . 8 1 1 A 20 20 LEU C C 20 180.266 178.638 1.628 1
1 197 . 8 1 1 A 20 20 LEU CA C 20 58.318 57.774 0.544 1
1 198 . 8 1 1 A 20 20 LEU CB C 20 41.655 41.654 0.001 1
1 202 . 8 1 1 A 20 20 LEU N N 20 117.598 119.350 -1.752 1
1 203 . 8 1 1 A 21 21 GLY H H 21 7.783 8.297 -0.514 1
1 204 . 8 1 1 A 21 21 GLY HA2 H 21 3.829 3.828 0.001 1
1 205 . 8 1 1 A 21 21 GLY C C 21 175.390 175.967 -0.577 1
1 206 . 8 1 1 A 21 21 GLY CA C 21 46.978 47.146 -0.168 1
1 207 . 8 1 1 A 21 21 GLY N N 21 106.102 107.550 -1.448 1
1 208 . 8 1 1 A 22 22 LYS H H 22 7.443 7.793 -0.350 1
1 209 . 8 1 1 A 22 22 LYS HA H 22 4.090 4.063 0.027 1
1 217 . 8 1 1 A 22 22 LYS C C 22 177.806 178.828 -1.022 1
1 218 . 8 1 1 A 22 22 LYS CA C 22 56.974 59.241 -2.267 1
1 219 . 8 1 1 A 22 22 LYS CB C 22 32.718 31.962 0.756 1
1 223 . 8 1 1 A 22 22 LYS N N 22 118.883 121.923 -3.040 1
1 224 . 8 1 1 A 23 23 ILE H H 23 7.550 7.690 -0.140 1
1 225 . 8 1 1 A 23 23 ILE HA H 23 4.165 3.967 0.198 1
1 235 . 8 1 1 A 23 23 ILE C C 23 175.996 177.052 -1.056 1
1 236 . 8 1 1 A 23 23 ILE CA C 23 62.916 63.821 -0.905 1
1 237 . 8 1 1 A 23 23 ILE CB C 23 39.444 38.734 0.710 1
1 241 . 8 1 1 A 23 23 ILE N N 23 114.457 119.132 -4.675 1
1 242 . 8 1 1 A 24 24 THR H H 24 7.778 7.971 -0.193 1
1 243 . 8 1 1 A 24 24 THR HA H 24 4.379 4.624 -0.245 1
1 248 . 8 1 1 A 24 24 THR C C 24 174.616 173.902 0.714 1
1 249 . 8 1 1 A 24 24 THR CA C 24 62.699 60.815 1.884 1
1 250 . 8 1 1 A 24 24 THR CB C 24 70.567 68.029 2.538 1
1 252 . 8 1 1 A 24 24 THR N N 24 113.224 113.253 -0.029 1
1 253 . 8 1 1 A 25 25 LYS H H 25 7.956 7.476 0.480 1
1 259 . 8 1 1 A 25 25 LYS CA C 25 56.696 56.126 0.570 1
1 260 . 8 1 1 A 25 25 LYS CB C 25 33.428 33.055 0.373 1
1 262 . 8 1 1 A 25 25 LYS N N 25 122.468 120.855 1.613 1
1 263 . 8 1 1 A 26 26 GLU H H 26 8.392 8.603 -0.211 1
1 264 . 8 1 1 A 26 26 GLU HA H 26 4.230 4.736 -0.506 1
1 268 . 8 1 1 A 26 26 GLU C C 26 176.320 174.115 2.205 1
1 269 . 8 1 1 A 26 26 GLU CA C 26 57.616 55.419 2.197 1
1 270 . 8 1 1 A 26 26 GLU CB C 26 30.854 29.958 0.896 1
1 272 . 8 1 1 A 26 26 GLU N N 26 121.068 120.158 0.910 1
1 273 . 8 1 1 A 27 27 ASP H H 27 8.299 7.884 0.415 1
1 274 . 8 1 1 A 27 27 ASP HA H 27 4.496 5.082 -0.586 1
1 276 . 8 1 1 A 27 27 ASP C C 27 175.931 173.976 1.955 1
1 277 . 8 1 1 A 27 27 ASP CA C 27 55.161 53.227 1.934 1
1 278 . 8 1 1 A 27 27 ASP CB C 27 41.532 44.916 -3.384 1
1 279 . 8 1 1 A 27 27 ASP N N 27 119.412 123.703 -4.291 1
1 280 . 8 1 1 A 28 28 GLN H H 28 8.108 8.770 -0.662 1
1 281 . 8 1 1 A 28 28 GLN HA H 28 4.215 4.829 -0.614 1
1 286 . 8 1 1 A 28 28 GLN C C 28 175.845 174.676 1.169 1
1 287 . 8 1 1 A 28 28 GLN CA C 28 56.559 53.727 2.832 1
1 288 . 8 1 1 A 28 28 GLN CB C 28 30.105 32.888 -2.783 1
1 290 . 8 1 1 A 28 28 GLN N N 28 119.037 116.867 2.170 1
1 292 . 8 1 1 A 29 29 PHE H H 29 8.235 7.998 0.237 1
1 293 . 8 1 1 A 29 29 PHE HA H 29 4.514 4.858 -0.344 1
1 299 . 8 1 1 A 29 29 PHE C C 29 175.361 174.796 0.565 1
1 300 . 8 1 1 A 29 29 PHE CA C 29 58.810 56.656 2.154 1
1 301 . 8 1 1 A 29 29 PHE CB C 29 40.000 39.881 0.119 1
1 302 . 8 1 1 A 29 29 PHE N N 29 120.622 116.411 4.211 1
1 303 . 8 1 1 A 30 30 TYR H H 30 7.715 7.235 0.480 1
1 304 . 8 1 1 A 30 30 TYR HA H 30 4.508 4.991 -0.483 1
1 310 . 8 1 1 A 30 30 TYR C C 30 175.416 175.215 0.201 1
1 311 . 8 1 1 A 30 30 TYR CA C 30 58.544 55.714 2.830 1
1 312 . 8 1 1 A 30 30 TYR CB C 30 39.613 38.889 0.724 1
1 313 . 8 1 1 A 30 30 TYR N N 30 119.864 116.810 3.054 1
1 314 . 8 1 1 A 31 31 GLU H H 31 8.187 9.148 -0.961 1
1 315 . 8 1 1 A 31 31 GLU HA H 31 4.293 3.892 0.401 1
1 319 . 8 1 1 A 31 31 GLU C C 31 176.148 177.596 -1.448 1
1 320 . 8 1 1 A 31 31 GLU CA C 31 57.172 59.340 -2.168 1
1 321 . 8 1 1 A 31 31 GLU CB C 31 30.845 27.908 2.937 1
1 323 . 8 1 1 A 31 31 GLU N N 31 121.546 119.387 2.159 1
1 324 . 8 1 1 A 32 32 THR H H 32 7.864 8.608 -0.744 1
1 325 . 8 1 1 A 32 32 THR HA H 32 4.359 4.068 0.291 1
1 330 . 8 1 1 A 32 32 THR C C 32 173.970 174.875 -0.905 1
1 331 . 8 1 1 A 32 32 THR CA C 32 62.043 65.387 -3.344 1
1 332 . 8 1 1 A 32 32 THR CB C 32 70.721 68.679 2.042 1
1 334 . 8 1 1 A 32 32 THR N N 32 113.695 114.636 -0.941 1
1 335 . 8 1 1 A 33 33 ASP H H 33 8.317 7.637 0.680 1
1 336 . 8 1 1 A 33 33 ASP HA H 33 4.880 4.894 -0.014 1
1 339 . 8 1 1 A 33 33 ASP CA C 33 53.661 50.915 2.746 1
1 340 . 8 1 1 A 33 33 ASP CB C 33 41.474 41.156 0.318 1
1 341 . 8 1 1 A 33 33 ASP N N 33 123.601 120.129 3.472 1
1 342 . 8 1 1 A 34 34 PRO HA H 34 4.408 4.526 -0.118 1
1 348 . 8 1 1 A 34 34 PRO C C 34 174.420 176.802 -2.382 1
1 349 . 8 1 1 A 34 34 PRO CA C 34 64.164 62.652 1.512 1
1 350 . 8 1 1 A 34 34 PRO CB C 34 32.774 31.512 1.262 1
1 353 . 8 1 1 A 35 35 ILE H H 35 8.143 8.246 -0.103 1
1 354 . 8 1 1 A 35 35 ILE HA H 35 4.046 4.433 -0.387 1
1 364 . 8 1 1 A 35 35 ILE C C 35 176.474 177.208 -0.734 1
1 365 . 8 1 1 A 35 35 ILE CA C 35 62.937 60.265 2.672 1
1 366 . 8 1 1 A 35 35 ILE CB C 35 39.275 38.059 1.216 1
1 370 . 8 1 1 A 35 35 ILE N N 35 120.322 120.789 -0.467 1
1 371 . 8 1 1 A 36 36 LEU H H 36 7.975 7.678 0.297 1
1 372 . 8 1 1 A 36 36 LEU HA H 36 4.398 4.105 0.293 1
1 381 . 8 1 1 A 36 36 LEU C C 36 177.299 178.552 -1.253 1
1 382 . 8 1 1 A 36 36 LEU CA C 36 56.022 57.399 -1.377 1
1 383 . 8 1 1 A 36 36 LEU CB C 36 42.837 41.434 1.403 1
1 387 . 8 1 1 A 36 36 LEU N N 36 121.023 124.503 -3.480 1
1 388 . 8 1 1 A 37 37 ARG H H 37 7.932 8.788 -0.856 1
1 389 . 8 1 1 A 37 37 ARG HA H 37 4.345 4.138 0.207 1
1 395 . 8 1 1 A 37 37 ARG C C 37 176.869 178.255 -1.386 1
1 396 . 8 1 1 A 37 37 ARG CA C 37 56.912 57.986 -1.074 1
1 397 . 8 1 1 A 37 37 ARG CB C 37 31.127 29.638 1.489 1
1 400 . 8 1 1 A 37 37 ARG N N 37 118.673 118.036 0.637 1
1 402 . 8 1 1 A 38 38 GLY H H 38 8.271 8.133 0.138 1
1 403 . 8 1 1 A 38 38 GLY HA2 H 38 3.986 3.974 0.012 1
1 404 . 8 1 1 A 38 38 GLY C C 38 174.864 174.527 0.337 1
1 405 . 8 1 1 A 38 38 GLY CA C 38 46.258 46.392 -0.134 1
1 406 . 8 1 1 A 38 38 GLY N N 38 108.377 107.607 0.770 1
1 407 . 8 1 1 A 39 39 GLY H H 39 8.218 7.699 0.519 1
1 408 . 8 1 1 A 39 39 GLY HA2 H 39 3.998 4.108 -0.110 1
1 409 . 8 1 1 A 39 39 GLY C C 39 174.158 173.300 0.858 1
1 410 . 8 1 1 A 39 39 GLY CA C 39 46.187 44.675 1.512 1
1 411 . 8 1 1 A 39 39 GLY N N 39 108.485 108.122 0.363 1
1 412 . 8 1 1 A 40 40 ASP H H 40 8.274 8.905 -0.631 1
1 413 . 8 1 1 A 40 40 ASP HA H 40 4.699 4.758 -0.059 1
1 415 . 8 1 1 A 40 40 ASP C C 40 176.791 177.062 -0.271 1
1 416 . 8 1 1 A 40 40 ASP CA C 40 55.105 55.409 -0.304 1
1 417 . 8 1 1 A 40 40 ASP CB C 40 41.715 42.546 -0.831 1
1 418 . 8 1 1 A 40 40 ASP N N 40 120.261 122.763 -2.502 1
1 419 . 8 1 1 A 41 41 VAL H H 41 8.071 8.468 -0.397 1
1 420 . 8 1 1 A 41 41 VAL HA H 41 3.993 3.498 0.495 1
1 425 . 8 1 1 A 41 41 VAL C C 41 176.869 176.967 -0.098 1
1 426 . 8 1 1 A 41 41 VAL CA C 41 64.502 67.261 -2.759 1
1 427 . 8 1 1 A 41 41 VAL CB C 41 32.773 31.839 0.934 1
1 429 . 8 1 1 A 41 41 VAL N N 41 120.111 120.524 -0.413 1
1 430 . 8 1 1 A 42 42 LYS H H 42 8.213 7.514 0.699 1
1 431 . 8 1 1 A 42 42 LYS HA H 42 4.299 4.502 -0.203 1
1 434 . 8 1 1 A 42 42 LYS C C 42 177.041 175.105 1.936 1
1 435 . 8 1 1 A 42 42 LYS CA C 42 57.639 55.851 1.788 1
1 436 . 8 1 1 A 42 42 LYS CB C 42 33.227 31.033 2.194 1
1 440 . 8 1 1 A 42 42 LYS N N 42 121.557 118.548 3.009 1
1 441 . 8 1 1 A 43 43 SER H H 43 8.126 7.552 0.574 1
1 442 . 8 1 1 A 43 43 SER HA H 43 4.452 4.897 -0.445 1
1 444 . 8 1 1 A 43 43 SER C C 43 175.085 173.906 1.179 1
1 445 . 8 1 1 A 43 43 SER CA C 43 59.403 57.009 2.394 1
1 446 . 8 1 1 A 43 43 SER CB C 43 64.208 65.583 -1.375 1
1 447 . 8 1 1 A 43 43 SER N N 43 115.295 117.606 -2.311 1
1 448 . 8 1 1 A 44 44 SER H H 44 8.251 8.703 -0.452 1
1 449 . 8 1 1 A 44 44 SER HA H 44 4.479 4.008 0.471 1
1 451 . 8 1 1 A 44 44 SER C C 44 175.331 174.590 0.741 1
1 452 . 8 1 1 A 44 44 SER CA C 44 59.701 59.281 0.420 1
1 453 . 8 1 1 A 44 44 SER CB C 44 64.453 61.435 3.018 1
1 454 . 8 1 1 A 44 44 SER N N 44 117.357 121.688 -4.331 1
1 455 . 8 1 1 A 45 45 GLY H H 45 8.401 8.184 0.217 1
1 456 . 8 1 1 A 45 45 GLY HA2 H 45 4.030 4.152 -0.122 1
1 457 . 8 1 1 A 45 45 GLY C C 45 174.472 174.440 0.032 1
1 458 . 8 1 1 A 45 45 GLY CA C 45 46.258 45.664 0.594 1
1 459 . 8 1 1 A 45 45 GLY N N 45 110.523 106.805 3.718 1
1 460 . 8 1 1 A 46 46 SER H H 46 8.177 8.269 -0.092 1
1 461 . 8 1 1 A 46 46 SER HA H 46 4.536 4.794 -0.258 1
1 463 . 8 1 1 A 46 46 SER C C 46 175.206 173.634 1.572 1
1 464 . 8 1 1 A 46 46 SER CA C 46 59.244 59.334 -0.090 1
1 465 . 8 1 1 A 46 46 SER CB C 46 64.484 65.830 -1.346 1
1 466 . 8 1 1 A 46 46 SER N N 46 115.297 115.114 0.183 1
1 467 . 8 1 1 A 47 47 THR H H 47 8.198 7.556 0.642 1
1 468 . 8 1 1 A 47 47 THR HA H 47 4.432 4.566 -0.134 1
1 470 . 8 1 1 A 47 47 THR C C 47 174.939 171.988 2.951 1
1 471 . 8 1 1 A 47 47 THR CA C 47 62.746 61.469 1.277 1
1 472 . 8 1 1 A 47 47 THR CB C 47 70.246 71.506 -1.260 1
1 474 . 8 1 1 A 47 47 THR N N 47 114.635 113.692 0.943 1
1 475 . 8 1 1 A 48 48 SER H H 48 8.228 8.986 -0.758 1
1 476 . 8 1 1 A 48 48 SER HA H 48 4.473 5.091 -0.618 1
1 478 . 8 1 1 A 48 48 SER C C 48 175.241 174.545 0.696 1
1 479 . 8 1 1 A 48 48 SER CA C 48 59.480 57.115 2.365 1
1 480 . 8 1 1 A 48 48 SER CB C 48 64.429 64.246 0.183 1
1 481 . 8 1 1 A 48 48 SER N N 48 117.146 121.924 -4.778 1
1 482 . 8 1 1 A 49 49 GLY H H 49 8.342 8.303 0.039 1
1 483 . 8 1 1 A 49 49 GLY HA2 H 49 4.048 4.065 -0.017 1
1 484 . 8 1 1 A 49 49 GLY C C 49 174.776 175.528 -0.752 1
1 485 . 8 1 1 A 49 49 GLY CA C 49 46.233 45.839 0.394 1
1 486 . 8 1 1 A 49 49 GLY N N 49 110.627 110.629 -0.002 1
1 487 . 8 1 1 A 50 50 LYS H H 50 8.124 8.095 0.029 1
1 488 . 8 1 1 A 50 50 LYS HA H 50 4.302 3.982 0.320 1
1 490 . 8 1 1 A 50 50 LYS C C 50 176.932 176.716 0.216 1
1 491 . 8 1 1 A 50 50 LYS CA C 50 57.333 59.245 -1.912 1
1 492 . 8 1 1 A 50 50 LYS CB C 50 33.497 32.157 1.340 1
1 496 . 8 1 1 A 50 50 LYS N N 50 120.037 121.835 -1.798 1
1 497 . 8 1 1 A 51 51 LYS H H 51 8.089 8.063 0.026 1
1 498 . 8 1 1 A 51 51 LYS HA H 51 4.325 3.926 0.399 1
1 500 . 8 1 1 A 51 51 LYS C C 51 177.169 175.662 1.507 1
1 501 . 8 1 1 A 51 51 LYS CA C 51 57.251 57.299 -0.048 1
1 502 . 8 1 1 A 51 51 LYS CB C 51 33.293 31.523 1.770 1
1 506 . 8 1 1 A 51 51 LYS N N 51 120.805 118.504 2.301 1
1 507 . 8 1 1 A 52 52 GLY H H 52 8.304 8.430 -0.126 1
1 508 . 8 1 1 A 52 52 GLY HA2 H 52 4.005 3.867 0.138 1
1 509 . 8 1 1 A 52 52 GLY C C 52 174.545 175.288 -0.743 1
1 510 . 8 1 1 A 52 52 GLY CA C 52 46.250 46.592 -0.342 1
1 511 . 8 1 1 A 52 52 GLY N N 52 109.109 105.633 3.476 1
1 512 . 8 1 1 A 53 53 GLY H H 53 8.201 8.585 -0.384 1
1 513 . 8 1 1 A 53 53 GLY HA2 H 53 4.051 3.929 0.122 1
1 514 . 8 1 1 A 53 53 GLY C C 53 174.771 174.563 0.208 1
1 515 . 8 1 1 A 53 53 GLY CA C 53 46.204 46.760 -0.556 1
1 516 . 8 1 1 A 53 53 GLY N N 53 108.474 106.577 1.897 1
1 517 . 8 1 1 A 54 54 THR H H 54 8.115 7.559 0.556 1
1 518 . 8 1 1 A 54 54 THR HA H 54 4.442 4.686 -0.244 1
1 522 . 8 1 1 A 54 54 THR C C 54 175.190 173.825 1.365 1
1 523 . 8 1 1 A 54 54 THR CA C 54 62.904 59.777 3.127 1
1 524 . 8 1 1 A 54 54 THR CB C 54 70.261 68.769 1.492 1
1 525 . 8 1 1 A 54 54 THR N N 54 113.386 108.722 4.664 1
1 526 . 8 1 1 A 55 55 THR H H 55 8.158 8.756 -0.598 1
1 527 . 8 1 1 A 55 55 THR HA H 55 4.452 4.753 -0.301 1
1 531 . 8 1 1 A 55 55 THR C C 55 175.050 174.508 0.542 1
1 532 . 8 1 1 A 55 55 THR CA C 55 62.740 60.260 2.480 1
1 533 . 8 1 1 A 55 55 THR CB C 55 70.171 70.841 -0.670 1
1 535 . 8 1 1 A 55 55 THR N N 55 114.825 118.809 -3.984 1
1 536 . 8 1 1 A 56 56 SER H H 56 8.233 9.068 -0.835 1
1 537 . 8 1 1 A 56 56 SER HA H 56 4.484 4.283 0.201 1
1 539 . 8 1 1 A 56 56 SER C C 56 175.314 174.238 1.076 1
1 540 . 8 1 1 A 56 56 SER CA C 56 59.419 59.065 0.354 1
1 541 . 8 1 1 A 56 56 SER CB C 56 64.576 62.883 1.693 1
1 542 . 8 1 1 A 56 56 SER N N 56 117.144 119.918 -2.774 1
1 543 . 8 1 1 A 57 57 GLY H H 57 8.340 8.594 -0.254 1
1 544 . 8 1 1 A 57 57 GLY HA2 H 57 4.043 4.115 -0.072 1
1 545 . 8 1 1 A 57 57 GLY C C 57 176.801 174.412 2.389 1
1 546 . 8 1 1 A 57 57 GLY CA C 57 45.927 44.730 1.197 1
1 547 . 8 1 1 A 57 57 GLY N N 57 110.613 110.778 -0.165 1
1 548 . 8 1 1 A 58 58 LYS H H 58 8.125 8.345 -0.220 1
1 549 . 8 1 1 A 58 58 LYS HA H 58 4.313 3.844 0.469 1
1 554 . 8 1 1 A 58 58 LYS C C 58 176.220 175.508 0.712 1
1 555 . 8 1 1 A 58 58 LYS CA C 58 57.524 56.825 0.699 1
1 556 . 8 1 1 A 58 58 LYS CB C 58 33.485 31.084 2.401 1
1 560 . 8 1 1 A 58 58 LYS N N 58 120.526 119.539 0.987 1
1 561 . 8 1 1 A 59 59 LYS H H 59 8.227 8.327 -0.100 1
1 562 . 8 1 1 A 59 59 LYS HA H 59 4.202 4.550 -0.348 1
1 567 . 8 1 1 A 59 59 LYS C C 59 177.075 177.055 0.020 1
1 568 . 8 1 1 A 59 59 LYS CA C 59 58.240 55.027 3.213 1
1 569 . 8 1 1 A 59 59 LYS CB C 59 33.354 34.151 -0.797 1
1 573 . 8 1 1 A 59 59 LYS N N 59 121.098 120.316 0.782 1
1 574 . 8 1 1 A 60 60 GLY H H 60 8.337 8.627 -0.290 1
1 575 . 8 1 1 A 60 60 GLY HA2 H 60 4.047 3.948 0.099 1
1 576 . 8 1 1 A 60 60 GLY C C 60 174.631 174.847 -0.216 1
1 577 . 8 1 1 A 60 60 GLY CA C 60 46.282 45.454 0.828 1
1 578 . 8 1 1 A 60 60 GLY N N 60 109.436 112.198 -2.762 1
1 579 . 8 1 1 A 61 61 THR H H 61 7.947 7.614 0.333 1
1 580 . 8 1 1 A 61 61 THR HA H 61 4.396 4.229 0.167 1
1 585 . 8 1 1 A 61 61 THR C C 61 174.470 176.294 -1.824 1
1 586 . 8 1 1 A 61 61 THR CA C 61 62.795 64.913 -2.118 1
1 587 . 8 1 1 A 61 61 THR CB C 61 70.637 69.337 1.300 1
1 589 . 8 1 1 A 61 61 THR N N 61 112.095 114.625 -2.530 1
1 590 . 8 1 1 A 62 62 VAL H H 62 7.788 7.613 0.175 1
1 591 . 8 1 1 A 62 62 VAL HA H 62 4.243 4.374 -0.131 1
1 596 . 8 1 1 A 62 62 VAL CA C 62 62.733 63.421 -0.688 1
1 597 . 8 1 1 A 62 62 VAL CB C 62 33.693 33.788 -0.095 1
1 599 . 8 1 1 A 62 62 VAL N N 62 120.973 120.184 0.789 1
1 600 . 8 1 1 A 63 63 SER H H 63 8.052 8.160 -0.108 1
1 601 . 8 1 1 A 63 63 SER HA H 63 4.665 4.058 0.607 1
1 604 . 8 1 1 A 63 63 SER CA C 63 57.747 61.847 -4.100 1
1 605 . 8 1 1 A 63 63 SER CB C 63 64.991 62.969 2.022 1
1 606 . 8 1 1 A 63 63 SER N N 63 119.427 117.190 2.237 1
1 607 . 8 1 1 A 64 64 ILE H H 64 8.191 7.427 0.764 1
1 608 . 8 1 1 A 64 64 ILE HA H 64 4.313 4.342 -0.029 1
1 617 . 8 1 1 A 64 64 ILE CA C 64 59.873 60.210 -0.337 1
1 618 . 8 1 1 A 64 64 ILE CB C 64 38.818 37.543 1.275 1
1 621 . 8 1 1 A 64 64 ILE N N 64 122.947 118.636 4.311 1
1 622 . 8 1 1 A 65 65 PRO HA H 65 4.466 4.317 0.149 1
1 628 . 8 1 1 A 65 65 PRO CA C 65 64.303 64.612 -0.309 1
1 629 . 8 1 1 A 65 65 PRO CB C 65 32.672 31.906 0.766 1
1 632 . 8 1 1 A 66 66 SER H H 66 8.002 8.113 -0.111 1
1 633 . 8 1 1 A 66 66 SER HA H 66 4.498 4.120 0.378 1
1 635 . 8 1 1 A 66 66 SER CA C 66 58.702 59.767 -1.065 1
1 636 . 8 1 1 A 66 66 SER CB C 66 64.819 62.093 2.726 1
1 637 . 8 1 1 A 66 66 SER N N 66 112.889 112.590 0.299 1
1 638 . 8 1 1 A 67 67 LYS H H 67 8.137 7.765 0.372 1
1 639 . 8 1 1 A 67 67 LYS HA H 67 4.347 4.537 -0.190 1
1 641 . 8 1 1 A 67 67 LYS C C 67 176.555 174.851 1.704 1
1 642 . 8 1 1 A 67 67 LYS CA C 67 57.061 55.947 1.114 1
1 643 . 8 1 1 A 67 67 LYS CB C 67 33.669 34.924 -1.255 1
1 647 . 8 1 1 A 67 67 LYS N N 67 122.114 119.092 3.022 1
1 648 . 8 1 1 A 68 68 LYS H H 68 8.118 8.572 -0.454 1
1 649 . 8 1 1 A 68 68 LYS HA H 68 4.322 4.226 0.096 1
1 651 . 8 1 1 A 68 68 LYS C C 68 176.446 176.691 -0.245 1
1 652 . 8 1 1 A 68 68 LYS CA C 68 57.043 56.468 0.575 1
1 653 . 8 1 1 A 68 68 LYS CB C 68 33.531 32.043 1.488 1
1 657 . 8 1 1 A 68 68 LYS N N 68 121.435 127.187 -5.752 1
1 658 . 8 1 1 A 69 69 LYS H H 69 8.394 8.506 -0.112 1
1 659 . 8 1 1 A 69 69 LYS HA H 69 4.351 4.029 0.322 1
1 663 . 8 1 1 A 69 69 LYS C C 69 175.623 177.330 -1.707 1
1 664 . 8 1 1 A 69 69 LYS CA C 69 56.762 59.755 -2.993 1
1 665 . 8 1 1 A 69 69 LYS CB C 69 33.782 32.657 1.125 1
1 669 . 8 1 1 A 69 69 LYS N N 69 121.052 126.187 -5.135 1
1 670 . 8 1 1 A 70 70 ASN H H 70 8.014 8.086 -0.072 1
1 671 . 8 1 1 A 70 70 ASN HA H 70 4.515 4.955 -0.440 1
1 675 . 8 1 1 A 70 70 ASN CA C 70 55.331 54.068 1.263 1
1 676 . 8 1 1 A 70 70 ASN CB C 70 41.478 41.425 0.053 1
1 677 . 8 1 1 A 70 70 ASN N N 70 125.005 113.193 11.812 1
1 679 . 8 1 1 A 71 71 GLY H H 71 8.255 7.952 0.303 1
1 680 . 8 1 1 A 71 71 GLY HA2 H 71 3.986 4.054 -0.068 1
1 681 . 8 1 1 A 71 71 GLY C C 71 174.458 173.349 1.109 1
1 682 . 8 1 1 A 71 71 GLY CA C 71 46.110 46.144 -0.034 1
1 683 . 8 1 1 A 71 71 GLY N N 71 114.247 106.533 7.714 1
1 684 . 8 1 1 A 72 72 ASN H H 72 8.462 8.465 -0.003 1
1 685 . 8 1 1 A 72 72 ASN HA H 72 4.796 5.301 -0.505 1
1 689 . 8 1 1 A 72 72 ASN C C 72 175.757 173.900 1.857 1
1 690 . 8 1 1 A 72 72 ASN CA C 72 53.882 52.095 1.787 1
1 691 . 8 1 1 A 72 72 ASN CB C 72 39.885 42.107 -2.222 1
1 692 . 8 1 1 A 72 72 ASN N N 72 118.314 120.686 -2.372 1
1 694 . 8 1 1 A 73 73 GLY H H 73 8.469 8.347 0.122 1
1 695 . 8 1 1 A 73 73 GLY HA2 H 73 3.968 4.137 -0.169 1
1 696 . 8 1 1 A 73 73 GLY C C 73 174.791 172.297 2.494 1
1 697 . 8 1 1 A 73 73 GLY CA C 73 46.247 44.151 2.096 1
1 698 . 8 1 1 A 73 73 GLY N N 73 109.019 107.565 1.454 1
1 699 . 8 1 1 A 74 74 GLY H H 74 7.946 8.359 -0.413 1
1 700 . 8 1 1 A 74 74 GLY HA2 H 74 4.112 3.936 0.176 1
1 701 . 8 1 1 A 74 74 GLY HA3 H 74 4.177 4.117 0.060 1
1 702 . 8 1 1 A 74 74 GLY C C 74 175.399 174.144 1.255 1
1 703 . 8 1 1 A 74 74 GLY CA C 74 45.825 44.880 0.945 1
1 704 . 8 1 1 A 74 74 GLY N N 74 108.672 110.066 -1.394 1
1 705 . 8 1 1 A 75 75 VAL H H 75 8.168 7.794 0.374 1
1 706 . 8 1 1 A 75 75 VAL HA H 75 3.881 3.944 -0.063 1
1 714 . 8 1 1 A 75 75 VAL C C 75 176.466 176.912 -0.446 1
1 715 . 8 1 1 A 75 75 VAL CA C 75 64.845 63.307 1.538 1
1 716 . 8 1 1 A 75 75 VAL CB C 75 32.811 32.515 0.296 1
1 719 . 8 1 1 A 75 75 VAL N N 75 119.832 120.840 -1.008 1
1 720 . 8 1 1 A 76 76 PHE H H 76 8.138 6.927 1.211 1
1 721 . 8 1 1 A 76 76 PHE HA H 76 4.664 4.804 -0.140 1
1 729 . 8 1 1 A 76 76 PHE C C 76 176.775 177.242 -0.467 1
1 730 . 8 1 1 A 76 76 PHE CA C 76 58.810 57.584 1.226 1
1 731 . 8 1 1 A 76 76 PHE CB C 76 39.177 41.410 -2.233 1
1 732 . 8 1 1 A 76 76 PHE N N 76 118.007 115.971 2.036 1
1 733 . 8 1 1 A 77 77 GLY H H 77 8.080 8.213 -0.133 1
1 734 . 8 1 1 A 77 77 GLY HA2 H 77 3.948 3.888 0.060 1
1 735 . 8 1 1 A 77 77 GLY C C 77 175.581 175.257 0.324 1
1 736 . 8 1 1 A 77 77 GLY CA C 77 47.292 46.707 0.585 1
1 737 . 8 1 1 A 77 77 GLY N N 77 107.115 110.115 -3.000 1
1 738 . 8 1 1 A 78 78 GLY H H 78 8.136 9.066 -0.930 1
1 739 . 8 1 1 A 78 78 GLY HA2 H 78 4.011 4.058 -0.047 1
1 740 . 8 1 1 A 78 78 GLY C C 78 175.337 175.068 0.269 1
1 741 . 8 1 1 A 78 78 GLY CA C 78 46.315 46.226 0.089 1
1 742 . 8 1 1 A 78 78 GLY N N 78 108.462 107.277 1.185 1
1 743 . 8 1 1 A 79 79 LEU H H 79 7.641 8.189 -0.548 1
1 744 . 8 1 1 A 79 79 LEU HA H 79 4.022 4.404 -0.382 1
1 753 . 8 1 1 A 79 79 LEU C C 79 177.256 177.880 -0.624 1
1 754 . 8 1 1 A 79 79 LEU CA C 79 57.813 55.776 2.037 1
1 755 . 8 1 1 A 79 79 LEU CB C 79 43.316 43.278 0.038 1
1 759 . 8 1 1 A 79 79 LEU N N 79 121.664 118.102 3.562 1
1 760 . 8 1 1 A 80 80 PHE H H 80 7.944 8.016 -0.072 1
1 761 . 8 1 1 A 80 80 PHE HA H 80 4.633 4.646 -0.013 1
1 768 . 8 1 1 A 80 80 PHE C C 80 175.433 175.067 0.366 1
1 769 . 8 1 1 A 80 80 PHE CA C 80 58.208 57.375 0.833 1
1 770 . 8 1 1 A 80 80 PHE CB C 80 39.615 38.638 0.977 1
1 771 . 8 1 1 A 80 80 PHE N N 80 114.796 115.277 -0.481 1
1 772 . 8 1 1 A 81 81 ALA H H 81 7.611 7.546 0.065 1
1 773 . 8 1 1 A 81 81 ALA HA H 81 4.364 4.582 -0.218 1
1 777 . 8 1 1 A 81 81 ALA C C 81 177.568 176.639 0.929 1
1 778 . 8 1 1 A 81 81 ALA CA C 81 52.989 50.601 2.388 1
1 779 . 8 1 1 A 81 81 ALA CB C 81 19.902 20.331 -0.429 1
1 780 . 8 1 1 A 81 81 ALA N N 81 122.618 123.694 -1.076 1
1 781 . 8 1 1 A 82 82 LYS H H 82 8.155 8.569 -0.414 1
1 782 . 8 1 1 A 82 82 LYS HA H 82 4.313 4.284 0.029 1
1 784 . 8 1 1 A 82 82 LYS C C 82 176.941 175.695 1.246 1
1 785 . 8 1 1 A 82 82 LYS CA C 82 57.023 56.974 0.049 1
1 786 . 8 1 1 A 82 82 LYS CB C 82 33.299 32.671 0.628 1
1 789 . 8 1 1 A 82 82 LYS N N 82 120.345 124.146 -3.801 1
1 790 . 8 1 1 A 83 83 LYS H H 83 8.256 8.934 -0.678 1
1 791 . 8 1 1 A 83 83 LYS HA H 83 4.378 4.441 -0.063 1
1 794 . 8 1 1 A 83 83 LYS CA C 83 56.618 57.577 -0.959 1
1 795 . 8 1 1 A 83 83 LYS CB C 83 33.767 35.072 -1.305 1
1 799 . 8 1 1 A 83 83 LYS N N 83 122.901 125.497 -2.596 1
1 6 . 9 1 1 A 2 2 ALA H H 2 8.448 8.560 -0.112 1
1 7 . 9 1 1 A 2 2 ALA HA H 2 4.314 3.937 0.377 1
1 11 . 9 1 1 A 2 2 ALA C C 2 177.731 176.220 1.511 1
1 12 . 9 1 1 A 2 2 ALA CA C 2 53.711 52.808 0.903 1
1 13 . 9 1 1 A 2 2 ALA CB C 2 19.629 17.696 1.933 1
1 14 . 9 1 1 A 2 2 ALA N N 2 125.995 125.705 0.290 1
1 15 . 9 1 1 A 3 3 ALA H H 3 8.148 7.684 0.464 1
1 16 . 9 1 1 A 3 3 ALA HA H 3 4.292 4.780 -0.488 1
1 20 . 9 1 1 A 3 3 ALA C C 3 177.888 175.618 2.270 1
1 21 . 9 1 1 A 3 3 ALA CA C 3 53.439 51.509 1.930 1
1 22 . 9 1 1 A 3 3 ALA CB C 3 19.671 23.262 -3.591 1
1 23 . 9 1 1 A 3 3 ALA N N 3 121.767 119.290 2.477 1
1 24 . 9 1 1 A 4 4 LYS H H 4 8.047 8.878 -0.831 1
1 25 . 9 1 1 A 4 4 LYS HA H 4 4.314 4.581 -0.267 1
1 27 . 9 1 1 A 4 4 LYS C C 4 177.363 177.131 0.232 1
1 28 . 9 1 1 A 4 4 LYS CA C 4 57.279 56.861 0.418 1
1 29 . 9 1 1 A 4 4 LYS CB C 4 33.570 33.784 -0.214 1
1 33 . 9 1 1 A 4 4 LYS N N 4 119.233 119.773 -0.540 1
1 34 . 9 1 1 A 5 5 GLY H H 5 8.317 8.183 0.134 1
1 35 . 9 1 1 A 5 5 GLY HA2 H 5 4.039 3.889 0.150 1
1 36 . 9 1 1 A 5 5 GLY C C 5 174.706 174.237 0.469 1
1 37 . 9 1 1 A 5 5 GLY CA C 5 46.246 46.984 -0.738 1
1 38 . 9 1 1 A 5 5 GLY N N 5 109.070 107.132 1.938 1
1 39 . 9 1 1 A 6 6 THR H H 6 8.002 8.238 -0.236 1
1 40 . 9 1 1 A 6 6 THR HA H 6 4.357 3.956 0.401 1
1 42 . 9 1 1 A 6 6 THR C C 6 174.839 174.883 -0.044 1
1 43 . 9 1 1 A 6 6 THR CA C 6 62.444 62.329 0.115 1
1 44 . 9 1 1 A 6 6 THR CB C 6 70.490 66.798 3.692 1
1 46 . 9 1 1 A 6 6 THR N N 6 112.809 105.453 7.356 1
1 47 . 9 1 1 A 7 7 ALA H H 7 8.309 7.982 0.327 1
1 48 . 9 1 1 A 7 7 ALA HA H 7 4.322 4.615 -0.293 1
1 52 . 9 1 1 A 7 7 ALA C C 7 178.032 178.104 -0.072 1
1 53 . 9 1 1 A 7 7 ALA CA C 7 53.792 51.574 2.218 1
1 54 . 9 1 1 A 7 7 ALA CB C 7 19.733 19.180 0.553 1
1 55 . 9 1 1 A 7 7 ALA N N 7 125.292 122.967 2.325 1
1 56 . 9 1 1 A 8 8 GLU H H 8 8.358 8.131 0.227 1
1 57 . 9 1 1 A 8 8 GLU HA H 8 4.297 4.435 -0.138 1
1 59 . 9 1 1 A 8 8 GLU C C 8 176.936 176.109 0.827 1
1 60 . 9 1 1 A 8 8 GLU CA C 8 57.618 58.254 -0.636 1
1 61 . 9 1 1 A 8 8 GLU CB C 8 30.792 30.754 0.038 1
1 63 . 9 1 1 A 8 8 GLU N N 8 118.943 118.798 0.145 1
1 64 . 9 1 1 A 9 9 THR H H 9 7.974 7.994 -0.020 1
1 65 . 9 1 1 A 9 9 THR HA H 9 4.365 4.809 -0.444 1
1 67 . 9 1 1 A 9 9 THR C C 9 174.629 172.514 2.115 1
1 68 . 9 1 1 A 9 9 THR CA C 9 62.617 60.072 2.545 1
1 69 . 9 1 1 A 9 9 THR CB C 9 70.422 72.121 -1.699 1
1 71 . 9 1 1 A 9 9 THR N N 9 113.540 112.261 1.279 1
1 72 . 9 1 1 A 10 10 LYS H H 10 8.242 8.392 -0.150 1
1 73 . 9 1 1 A 10 10 LYS HA H 10 4.314 4.609 -0.295 1
1 75 . 9 1 1 A 10 10 LYS C C 10 176.513 175.014 1.499 1
1 76 . 9 1 1 A 10 10 LYS CA C 10 57.173 56.047 1.126 1
1 77 . 9 1 1 A 10 10 LYS CB C 10 33.511 36.593 -3.082 1
1 81 . 9 1 1 A 10 10 LYS N N 10 123.339 126.989 -3.650 1
1 82 . 9 1 1 A 11 11 GLN H H 11 8.381 9.060 -0.679 1
1 83 . 9 1 1 A 11 11 GLN HA H 11 4.322 4.845 -0.523 1
1 89 . 9 1 1 A 11 11 GLN C C 11 176.073 176.152 -0.079 1
1 90 . 9 1 1 A 11 11 GLN CA C 11 56.689 55.148 1.541 1
1 91 . 9 1 1 A 11 11 GLN CB C 11 29.940 29.253 0.687 1
1 93 . 9 1 1 A 11 11 GLN N N 11 120.885 125.293 -4.408 1
1 95 . 9 1 1 A 12 12 GLU H H 12 8.407 7.999 0.408 1
1 96 . 9 1 1 A 12 12 GLU HA H 12 4.304 4.621 -0.317 1
1 98 . 9 1 1 A 12 12 GLU C C 12 176.253 177.236 -0.983 1
1 99 . 9 1 1 A 12 12 GLU CA C 12 57.536 57.282 0.254 1
1 100 . 9 1 1 A 12 12 GLU CB C 12 30.799 32.885 -2.086 1
1 102 . 9 1 1 A 12 12 GLU N N 12 121.152 119.072 2.080 1
1 103 . 9 1 1 A 13 13 LYS H H 13 8.220 7.612 0.608 1
1 104 . 9 1 1 A 13 13 LYS HA H 13 4.542 4.574 -0.032 1
1 108 . 9 1 1 A 13 13 LYS C C 13 175.856 174.857 0.999 1
1 109 . 9 1 1 A 13 13 LYS CA C 13 56.335 55.519 0.816 1
1 110 . 9 1 1 A 13 13 LYS CB C 13 33.863 32.987 0.876 1
1 114 . 9 1 1 A 13 13 LYS N N 13 121.312 120.225 1.087 1
1 115 . 9 1 1 A 14 14 SER H H 14 8.447 7.648 0.799 1
1 116 . 9 1 1 A 14 14 SER HA H 14 4.639 4.628 0.011 1
1 119 . 9 1 1 A 14 14 SER C C 14 175.529 175.708 -0.179 1
1 120 . 9 1 1 A 14 14 SER CA C 14 58.802 56.866 1.936 1
1 121 . 9 1 1 A 14 14 SER CB C 14 64.803 65.107 -0.304 1
1 122 . 9 1 1 A 14 14 SER N N 14 116.487 117.158 -0.671 1
1 123 . 9 1 1 A 15 15 PHE H H 15 8.802 9.194 -0.392 1
1 124 . 9 1 1 A 15 15 PHE HA H 15 4.448 4.316 0.132 1
1 129 . 9 1 1 A 15 15 PHE C C 15 176.935 177.582 -0.647 1
1 130 . 9 1 1 A 15 15 PHE CA C 15 62.188 60.639 1.549 1
1 131 . 9 1 1 A 15 15 PHE CB C 15 39.721 38.242 1.479 1
1 132 . 9 1 1 A 15 15 PHE N N 15 124.339 122.576 1.763 1
1 133 . 9 1 1 A 16 16 VAL H H 16 8.025 7.224 0.801 1
1 134 . 9 1 1 A 16 16 VAL HA H 16 3.490 3.670 -0.180 1
1 142 . 9 1 1 A 16 16 VAL C C 16 177.123 177.222 -0.099 1
1 143 . 9 1 1 A 16 16 VAL CA C 16 67.959 64.662 3.297 1
1 144 . 9 1 1 A 16 16 VAL CB C 16 32.250 30.933 1.317 1
1 147 . 9 1 1 A 16 16 VAL N N 16 118.329 121.270 -2.941 1
1 148 . 9 1 1 A 17 17 ASP H H 17 7.926 8.147 -0.221 1
1 149 . 9 1 1 A 17 17 ASP HA H 17 4.354 4.267 0.087 1
1 152 . 9 1 1 A 17 17 ASP C C 17 179.625 178.858 0.767 1
1 153 . 9 1 1 A 17 17 ASP CA C 17 58.204 57.327 0.877 1
1 154 . 9 1 1 A 17 17 ASP CB C 17 41.324 40.438 0.886 1
1 155 . 9 1 1 A 17 17 ASP N N 17 118.753 121.622 -2.869 1
1 156 . 9 1 1 A 18 18 TRP H H 18 8.174 7.569 0.605 1
1 157 . 9 1 1 A 18 18 TRP HA H 18 4.111 4.347 -0.236 1
1 163 . 9 1 1 A 18 18 TRP CA C 18 62.194 60.728 1.466 1
1 164 . 9 1 1 A 18 18 TRP CB C 18 29.150 29.714 -0.564 1
1 165 . 9 1 1 A 18 18 TRP N N 18 122.311 123.358 -1.047 1
1 167 . 9 1 1 A 19 19 LEU H H 19 8.517 8.714 -0.197 1
1 168 . 9 1 1 A 19 19 LEU HA H 19 3.447 3.698 -0.251 1
1 178 . 9 1 1 A 19 19 LEU C C 19 179.115 178.725 0.390 1
1 179 . 9 1 1 A 19 19 LEU CA C 19 58.630 58.218 0.412 1
1 180 . 9 1 1 A 19 19 LEU CB C 19 42.676 41.807 0.869 1
1 184 . 9 1 1 A 19 19 LEU N N 19 120.943 120.987 -0.044 1
1 185 . 9 1 1 A 20 20 LEU H H 20 8.713 8.503 0.210 1
1 186 . 9 1 1 A 20 20 LEU HA H 20 3.972 3.962 0.010 1
1 196 . 9 1 1 A 20 20 LEU C C 20 180.266 178.910 1.356 1
1 197 . 9 1 1 A 20 20 LEU CA C 20 58.318 57.778 0.540 1
1 198 . 9 1 1 A 20 20 LEU CB C 20 41.655 41.735 -0.080 1
1 202 . 9 1 1 A 20 20 LEU N N 20 117.598 119.384 -1.786 1
1 203 . 9 1 1 A 21 21 GLY H H 21 7.783 8.299 -0.516 1
1 204 . 9 1 1 A 21 21 GLY HA2 H 21 3.829 3.794 0.035 1
1 205 . 9 1 1 A 21 21 GLY C C 21 175.390 175.204 0.186 1
1 206 . 9 1 1 A 21 21 GLY CA C 21 46.978 46.659 0.319 1
1 207 . 9 1 1 A 21 21 GLY N N 21 106.102 107.024 -0.922 1
1 208 . 9 1 1 A 22 22 LYS H H 22 7.443 8.165 -0.722 1
1 209 . 9 1 1 A 22 22 LYS HA H 22 4.090 4.126 -0.036 1
1 217 . 9 1 1 A 22 22 LYS C C 22 177.806 179.339 -1.533 1
1 218 . 9 1 1 A 22 22 LYS CA C 22 56.974 59.023 -2.049 1
1 219 . 9 1 1 A 22 22 LYS CB C 22 32.718 31.947 0.771 1
1 223 . 9 1 1 A 22 22 LYS N N 22 118.883 120.799 -1.916 1
1 224 . 9 1 1 A 23 23 ILE H H 23 7.550 7.822 -0.272 1
1 225 . 9 1 1 A 23 23 ILE HA H 23 4.165 4.007 0.158 1
1 235 . 9 1 1 A 23 23 ILE C C 23 175.996 177.090 -1.094 1
1 236 . 9 1 1 A 23 23 ILE CA C 23 62.916 63.088 -0.172 1
1 237 . 9 1 1 A 23 23 ILE CB C 23 39.444 38.794 0.650 1
1 241 . 9 1 1 A 23 23 ILE N N 23 114.457 120.178 -5.721 1
1 242 . 9 1 1 A 24 24 THR H H 24 7.778 7.566 0.212 1
1 243 . 9 1 1 A 24 24 THR HA H 24 4.379 4.541 -0.162 1
1 248 . 9 1 1 A 24 24 THR C C 24 174.616 173.945 0.671 1
1 249 . 9 1 1 A 24 24 THR CA C 24 62.699 62.378 0.321 1
1 250 . 9 1 1 A 24 24 THR CB C 24 70.567 69.947 0.620 1
1 252 . 9 1 1 A 24 24 THR N N 24 113.224 108.456 4.768 1
1 253 . 9 1 1 A 25 25 LYS H H 25 7.956 7.821 0.135 1
1 259 . 9 1 1 A 25 25 LYS CA C 25 56.696 54.909 1.787 1
1 260 . 9 1 1 A 25 25 LYS CB C 25 33.428 34.603 -1.175 1
1 262 . 9 1 1 A 25 25 LYS N N 25 122.468 118.276 4.192 1
1 263 . 9 1 1 A 26 26 GLU H H 26 8.392 8.526 -0.134 1
1 264 . 9 1 1 A 26 26 GLU HA H 26 4.230 4.671 -0.441 1
1 268 . 9 1 1 A 26 26 GLU C C 26 176.320 175.484 0.836 1
1 269 . 9 1 1 A 26 26 GLU CA C 26 57.616 55.737 1.879 1
1 270 . 9 1 1 A 26 26 GLU CB C 26 30.854 30.514 0.340 1
1 272 . 9 1 1 A 26 26 GLU N N 26 121.068 118.684 2.384 1
1 273 . 9 1 1 A 27 27 ASP H H 27 8.299 7.597 0.702 1
1 274 . 9 1 1 A 27 27 ASP HA H 27 4.496 4.763 -0.267 1
1 276 . 9 1 1 A 27 27 ASP C C 27 175.931 174.092 1.839 1
1 277 . 9 1 1 A 27 27 ASP CA C 27 55.161 53.388 1.773 1
1 278 . 9 1 1 A 27 27 ASP CB C 27 41.532 43.577 -2.045 1
1 279 . 9 1 1 A 27 27 ASP N N 27 119.412 118.647 0.765 1
1 280 . 9 1 1 A 28 28 GLN H H 28 8.108 8.382 -0.274 1
1 281 . 9 1 1 A 28 28 GLN HA H 28 4.215 4.554 -0.339 1
1 286 . 9 1 1 A 28 28 GLN C C 28 175.845 177.079 -1.234 1
1 287 . 9 1 1 A 28 28 GLN CA C 28 56.559 56.221 0.338 1
1 288 . 9 1 1 A 28 28 GLN CB C 28 30.105 30.816 -0.711 1
1 290 . 9 1 1 A 28 28 GLN N N 28 119.037 118.287 0.750 1
1 292 . 9 1 1 A 29 29 PHE H H 29 8.235 8.121 0.114 1
1 293 . 9 1 1 A 29 29 PHE HA H 29 4.514 4.268 0.246 1
1 299 . 9 1 1 A 29 29 PHE C C 29 175.361 174.797 0.564 1
1 300 . 9 1 1 A 29 29 PHE CA C 29 58.810 60.537 -1.727 1
1 301 . 9 1 1 A 29 29 PHE CB C 29 40.000 40.046 -0.046 1
1 302 . 9 1 1 A 29 29 PHE N N 29 120.622 119.745 0.877 1
1 303 . 9 1 1 A 30 30 TYR H H 30 7.715 7.958 -0.243 1
1 304 . 9 1 1 A 30 30 TYR HA H 30 4.508 5.010 -0.502 1
1 310 . 9 1 1 A 30 30 TYR C C 30 175.416 174.867 0.549 1
1 311 . 9 1 1 A 30 30 TYR CA C 30 58.544 56.005 2.539 1
1 312 . 9 1 1 A 30 30 TYR CB C 30 39.613 42.115 -2.502 1
1 313 . 9 1 1 A 30 30 TYR N N 30 119.864 113.932 5.932 1
1 314 . 9 1 1 A 31 31 GLU H H 31 8.187 8.483 -0.296 1
1 315 . 9 1 1 A 31 31 GLU HA H 31 4.293 4.563 -0.270 1
1 319 . 9 1 1 A 31 31 GLU C C 31 176.148 176.013 0.135 1
1 320 . 9 1 1 A 31 31 GLU CA C 31 57.172 55.459 1.713 1
1 321 . 9 1 1 A 31 31 GLU CB C 31 30.845 30.169 0.676 1
1 323 . 9 1 1 A 31 31 GLU N N 31 121.546 118.661 2.885 1
1 324 . 9 1 1 A 32 32 THR H H 32 7.864 8.249 -0.385 1
1 325 . 9 1 1 A 32 32 THR HA H 32 4.359 4.099 0.260 1
1 330 . 9 1 1 A 32 32 THR C C 32 173.970 174.315 -0.345 1
1 331 . 9 1 1 A 32 32 THR CA C 32 62.043 62.838 -0.795 1
1 332 . 9 1 1 A 32 32 THR CB C 32 70.721 66.498 4.223 1
1 334 . 9 1 1 A 32 32 THR N N 32 113.695 113.723 -0.028 1
1 335 . 9 1 1 A 33 33 ASP H H 33 8.317 8.555 -0.238 1
1 336 . 9 1 1 A 33 33 ASP HA H 33 4.880 4.312 0.568 1
1 339 . 9 1 1 A 33 33 ASP CA C 33 53.661 54.874 -1.213 1
1 340 . 9 1 1 A 33 33 ASP CB C 33 41.474 39.280 2.194 1
1 341 . 9 1 1 A 33 33 ASP N N 33 123.601 120.940 2.661 1
1 342 . 9 1 1 A 34 34 PRO HA H 34 4.408 4.693 -0.285 1
1 348 . 9 1 1 A 34 34 PRO C C 34 174.420 175.915 -1.495 1
1 349 . 9 1 1 A 34 34 PRO CA C 34 64.164 62.580 1.584 1
1 350 . 9 1 1 A 34 34 PRO CB C 34 32.774 30.619 2.155 1
1 353 . 9 1 1 A 35 35 ILE H H 35 8.143 7.863 0.280 1
1 354 . 9 1 1 A 35 35 ILE HA H 35 4.046 5.084 -1.038 1
1 364 . 9 1 1 A 35 35 ILE C C 35 176.474 174.894 1.580 1
1 365 . 9 1 1 A 35 35 ILE CA C 35 62.937 58.849 4.088 1
1 366 . 9 1 1 A 35 35 ILE CB C 35 39.275 41.895 -2.620 1
1 370 . 9 1 1 A 35 35 ILE N N 35 120.322 117.503 2.819 1
1 371 . 9 1 1 A 36 36 LEU H H 36 7.975 8.547 -0.572 1
1 372 . 9 1 1 A 36 36 LEU HA H 36 4.398 4.457 -0.059 1
1 381 . 9 1 1 A 36 36 LEU C C 36 177.299 178.180 -0.881 1
1 382 . 9 1 1 A 36 36 LEU CA C 36 56.022 54.268 1.754 1
1 383 . 9 1 1 A 36 36 LEU CB C 36 42.837 42.491 0.346 1
1 387 . 9 1 1 A 36 36 LEU N N 36 121.023 122.151 -1.128 1
1 388 . 9 1 1 A 37 37 ARG H H 37 7.932 8.389 -0.457 1
1 389 . 9 1 1 A 37 37 ARG HA H 37 4.345 4.429 -0.084 1
1 395 . 9 1 1 A 37 37 ARG C C 37 176.869 177.547 -0.678 1
1 396 . 9 1 1 A 37 37 ARG CA C 37 56.912 55.293 1.619 1
1 397 . 9 1 1 A 37 37 ARG CB C 37 31.127 29.231 1.896 1
1 400 . 9 1 1 A 37 37 ARG N N 37 118.673 119.715 -1.042 1
1 402 . 9 1 1 A 38 38 GLY H H 38 8.271 9.017 -0.746 1
1 403 . 9 1 1 A 38 38 GLY HA2 H 38 3.986 3.942 0.044 1
1 404 . 9 1 1 A 38 38 GLY C C 38 174.864 175.401 -0.537 1
1 405 . 9 1 1 A 38 38 GLY CA C 38 46.258 45.629 0.629 1
1 406 . 9 1 1 A 38 38 GLY N N 38 108.377 110.383 -2.006 1
1 407 . 9 1 1 A 39 39 GLY H H 39 8.218 8.467 -0.249 1
1 408 . 9 1 1 A 39 39 GLY HA2 H 39 3.998 4.029 -0.031 1
1 409 . 9 1 1 A 39 39 GLY C C 39 174.158 173.465 0.693 1
1 410 . 9 1 1 A 39 39 GLY CA C 39 46.187 45.488 0.699 1
1 411 . 9 1 1 A 39 39 GLY N N 39 108.485 107.643 0.842 1
1 412 . 9 1 1 A 40 40 ASP H H 40 8.274 8.014 0.260 1
1 413 . 9 1 1 A 40 40 ASP HA H 40 4.699 5.017 -0.318 1
1 415 . 9 1 1 A 40 40 ASP C C 40 176.791 175.564 1.227 1
1 416 . 9 1 1 A 40 40 ASP CA C 40 55.105 54.099 1.006 1
1 417 . 9 1 1 A 40 40 ASP CB C 40 41.715 42.958 -1.243 1
1 418 . 9 1 1 A 40 40 ASP N N 40 120.261 120.214 0.047 1
1 419 . 9 1 1 A 41 41 VAL H H 41 8.071 8.822 -0.751 1
1 420 . 9 1 1 A 41 41 VAL HA H 41 3.993 3.831 0.162 1
1 425 . 9 1 1 A 41 41 VAL C C 41 176.869 175.881 0.988 1
1 426 . 9 1 1 A 41 41 VAL CA C 41 64.502 64.717 -0.215 1
1 427 . 9 1 1 A 41 41 VAL CB C 41 32.773 32.910 -0.137 1
1 429 . 9 1 1 A 41 41 VAL N N 41 120.111 125.379 -5.268 1
1 430 . 9 1 1 A 42 42 LYS H H 42 8.213 8.047 0.166 1
1 431 . 9 1 1 A 42 42 LYS HA H 42 4.299 4.060 0.239 1
1 434 . 9 1 1 A 42 42 LYS C C 42 177.041 176.313 0.728 1
1 435 . 9 1 1 A 42 42 LYS CA C 42 57.639 58.479 -0.840 1
1 436 . 9 1 1 A 42 42 LYS CB C 42 33.227 31.591 1.636 1
1 440 . 9 1 1 A 42 42 LYS N N 42 121.557 120.994 0.563 1
1 441 . 9 1 1 A 43 43 SER H H 43 8.126 8.560 -0.434 1
1 442 . 9 1 1 A 43 43 SER HA H 43 4.452 4.154 0.298 1
1 444 . 9 1 1 A 43 43 SER C C 43 175.085 174.553 0.532 1
1 445 . 9 1 1 A 43 43 SER CA C 43 59.403 59.012 0.391 1
1 446 . 9 1 1 A 43 43 SER CB C 43 64.208 61.237 2.971 1
1 447 . 9 1 1 A 43 43 SER N N 43 115.295 114.415 0.880 1
1 448 . 9 1 1 A 44 44 SER H H 44 8.251 8.050 0.201 1
1 449 . 9 1 1 A 44 44 SER HA H 44 4.479 4.374 0.105 1
1 451 . 9 1 1 A 44 44 SER C C 44 175.331 174.638 0.693 1
1 452 . 9 1 1 A 44 44 SER CA C 44 59.701 59.160 0.541 1
1 453 . 9 1 1 A 44 44 SER CB C 44 64.453 64.424 0.029 1
1 454 . 9 1 1 A 44 44 SER N N 44 117.357 117.663 -0.306 1
1 455 . 9 1 1 A 45 45 GLY H H 45 8.401 7.817 0.584 1
1 456 . 9 1 1 A 45 45 GLY HA2 H 45 4.030 4.019 0.011 1
1 457 . 9 1 1 A 45 45 GLY C C 45 174.472 174.055 0.417 1
1 458 . 9 1 1 A 45 45 GLY CA C 45 46.258 44.851 1.407 1
1 459 . 9 1 1 A 45 45 GLY N N 45 110.523 108.369 2.154 1
1 460 . 9 1 1 A 46 46 SER H H 46 8.177 8.443 -0.266 1
1 461 . 9 1 1 A 46 46 SER HA H 46 4.536 4.666 -0.130 1
1 463 . 9 1 1 A 46 46 SER C C 46 175.206 174.630 0.576 1
1 464 . 9 1 1 A 46 46 SER CA C 46 59.244 58.352 0.892 1
1 465 . 9 1 1 A 46 46 SER CB C 46 64.484 64.773 -0.289 1
1 466 . 9 1 1 A 46 46 SER N N 46 115.297 112.736 2.561 1
1 467 . 9 1 1 A 47 47 THR H H 47 8.198 7.480 0.718 1
1 468 . 9 1 1 A 47 47 THR HA H 47 4.432 4.363 0.069 1
1 470 . 9 1 1 A 47 47 THR C C 47 174.939 174.500 0.439 1
1 471 . 9 1 1 A 47 47 THR CA C 47 62.746 62.359 0.387 1
1 472 . 9 1 1 A 47 47 THR CB C 47 70.246 69.384 0.862 1
1 474 . 9 1 1 A 47 47 THR N N 47 114.635 114.701 -0.066 1
1 475 . 9 1 1 A 48 48 SER H H 48 8.228 8.602 -0.374 1
1 476 . 9 1 1 A 48 48 SER HA H 48 4.473 4.844 -0.371 1
1 478 . 9 1 1 A 48 48 SER C C 48 175.241 173.945 1.296 1
1 479 . 9 1 1 A 48 48 SER CA C 48 59.480 58.507 0.973 1
1 480 . 9 1 1 A 48 48 SER CB C 48 64.429 64.166 0.263 1
1 481 . 9 1 1 A 48 48 SER N N 48 117.146 123.279 -6.133 1
1 482 . 9 1 1 A 49 49 GLY H H 49 8.342 8.399 -0.057 1
1 483 . 9 1 1 A 49 49 GLY HA2 H 49 4.048 4.165 -0.117 1
1 484 . 9 1 1 A 49 49 GLY C C 49 174.776 174.059 0.717 1
1 485 . 9 1 1 A 49 49 GLY CA C 49 46.233 45.673 0.560 1
1 486 . 9 1 1 A 49 49 GLY N N 49 110.627 110.355 0.272 1
1 487 . 9 1 1 A 50 50 LYS H H 50 8.124 8.569 -0.445 1
1 488 . 9 1 1 A 50 50 LYS HA H 50 4.302 4.530 -0.228 1
1 490 . 9 1 1 A 50 50 LYS C C 50 176.932 176.143 0.789 1
1 491 . 9 1 1 A 50 50 LYS CA C 50 57.333 55.325 2.008 1
1 492 . 9 1 1 A 50 50 LYS CB C 50 33.497 32.445 1.052 1
1 496 . 9 1 1 A 50 50 LYS N N 50 120.037 122.489 -2.452 1
1 497 . 9 1 1 A 51 51 LYS H H 51 8.089 7.449 0.640 1
1 498 . 9 1 1 A 51 51 LYS HA H 51 4.325 4.490 -0.165 1
1 500 . 9 1 1 A 51 51 LYS C C 51 177.169 175.893 1.276 1
1 501 . 9 1 1 A 51 51 LYS CA C 51 57.251 55.562 1.689 1
1 502 . 9 1 1 A 51 51 LYS CB C 51 33.293 33.244 0.049 1
1 506 . 9 1 1 A 51 51 LYS N N 51 120.805 120.278 0.527 1
1 507 . 9 1 1 A 52 52 GLY H H 52 8.304 8.773 -0.469 1
1 508 . 9 1 1 A 52 52 GLY HA2 H 52 4.005 4.198 -0.193 1
1 509 . 9 1 1 A 52 52 GLY C C 52 174.545 174.608 -0.063 1
1 510 . 9 1 1 A 52 52 GLY CA C 52 46.250 46.248 0.002 1
1 511 . 9 1 1 A 52 52 GLY N N 52 109.109 113.927 -4.818 1
1 512 . 9 1 1 A 53 53 GLY H H 53 8.201 8.931 -0.730 1
1 513 . 9 1 1 A 53 53 GLY HA2 H 53 4.051 3.950 0.101 1
1 514 . 9 1 1 A 53 53 GLY C C 53 174.771 174.156 0.615 1
1 515 . 9 1 1 A 53 53 GLY CA C 53 46.204 45.313 0.891 1
1 516 . 9 1 1 A 53 53 GLY N N 53 108.474 111.161 -2.687 1
1 517 . 9 1 1 A 54 54 THR H H 54 8.115 7.566 0.549 1
1 518 . 9 1 1 A 54 54 THR HA H 54 4.442 5.263 -0.821 1
1 522 . 9 1 1 A 54 54 THR C C 54 175.190 173.732 1.458 1
1 523 . 9 1 1 A 54 54 THR CA C 54 62.904 60.569 2.335 1
1 524 . 9 1 1 A 54 54 THR CB C 54 70.261 70.789 -0.528 1
1 525 . 9 1 1 A 54 54 THR N N 54 113.386 112.003 1.383 1
1 526 . 9 1 1 A 55 55 THR H H 55 8.158 8.751 -0.593 1
1 527 . 9 1 1 A 55 55 THR HA H 55 4.452 5.254 -0.802 1
1 531 . 9 1 1 A 55 55 THR C C 55 175.050 173.357 1.693 1
1 532 . 9 1 1 A 55 55 THR CA C 55 62.740 59.576 3.164 1
1 533 . 9 1 1 A 55 55 THR CB C 55 70.171 72.213 -2.042 1
1 535 . 9 1 1 A 55 55 THR N N 55 114.825 119.717 -4.892 1
1 536 . 9 1 1 A 56 56 SER H H 56 8.233 8.851 -0.618 1
1 537 . 9 1 1 A 56 56 SER HA H 56 4.484 4.622 -0.138 1
1 539 . 9 1 1 A 56 56 SER C C 56 175.314 175.080 0.234 1
1 540 . 9 1 1 A 56 56 SER CA C 56 59.419 59.516 -0.097 1
1 541 . 9 1 1 A 56 56 SER CB C 56 64.576 64.414 0.162 1
1 542 . 9 1 1 A 56 56 SER N N 56 117.144 118.895 -1.751 1
1 543 . 9 1 1 A 57 57 GLY H H 57 8.340 8.119 0.221 1
1 544 . 9 1 1 A 57 57 GLY HA2 H 57 4.043 3.908 0.135 1
1 545 . 9 1 1 A 57 57 GLY C C 57 176.801 174.368 2.433 1
1 546 . 9 1 1 A 57 57 GLY CA C 57 45.927 46.498 -0.571 1
1 547 . 9 1 1 A 57 57 GLY N N 57 110.613 108.718 1.895 1
1 548 . 9 1 1 A 58 58 LYS H H 58 8.125 8.384 -0.259 1
1 549 . 9 1 1 A 58 58 LYS HA H 58 4.313 4.107 0.206 1
1 554 . 9 1 1 A 58 58 LYS C C 58 176.220 176.908 -0.688 1
1 555 . 9 1 1 A 58 58 LYS CA C 58 57.524 58.379 -0.855 1
1 556 . 9 1 1 A 58 58 LYS CB C 58 33.485 31.320 2.165 1
1 560 . 9 1 1 A 58 58 LYS N N 58 120.526 113.480 7.046 1
1 561 . 9 1 1 A 59 59 LYS H H 59 8.227 8.653 -0.426 1
1 562 . 9 1 1 A 59 59 LYS HA H 59 4.202 4.579 -0.377 1
1 567 . 9 1 1 A 59 59 LYS C C 59 177.075 177.602 -0.527 1
1 568 . 9 1 1 A 59 59 LYS CA C 59 58.240 56.206 2.034 1
1 569 . 9 1 1 A 59 59 LYS CB C 59 33.354 34.614 -1.260 1
1 573 . 9 1 1 A 59 59 LYS N N 59 121.098 120.958 0.140 1
1 574 . 9 1 1 A 60 60 GLY H H 60 8.337 8.108 0.229 1
1 575 . 9 1 1 A 60 60 GLY HA2 H 60 4.047 3.889 0.158 1
1 576 . 9 1 1 A 60 60 GLY C C 60 174.631 175.059 -0.428 1
1 577 . 9 1 1 A 60 60 GLY CA C 60 46.282 46.571 -0.289 1
1 578 . 9 1 1 A 60 60 GLY N N 60 109.436 108.705 0.731 1
1 579 . 9 1 1 A 61 61 THR H H 61 7.947 7.917 0.030 1
1 580 . 9 1 1 A 61 61 THR HA H 61 4.396 4.624 -0.228 1
1 585 . 9 1 1 A 61 61 THR C C 61 174.470 175.333 -0.863 1
1 586 . 9 1 1 A 61 61 THR CA C 61 62.795 62.463 0.332 1
1 587 . 9 1 1 A 61 61 THR CB C 61 70.637 70.287 0.350 1
1 589 . 9 1 1 A 61 61 THR N N 61 112.095 110.954 1.141 1
1 590 . 9 1 1 A 62 62 VAL H H 62 7.788 8.094 -0.306 1
1 591 . 9 1 1 A 62 62 VAL HA H 62 4.243 4.400 -0.157 1
1 596 . 9 1 1 A 62 62 VAL CA C 62 62.733 63.188 -0.455 1
1 597 . 9 1 1 A 62 62 VAL CB C 62 33.693 33.919 -0.226 1
1 599 . 9 1 1 A 62 62 VAL N N 62 120.973 120.885 0.088 1
1 600 . 9 1 1 A 63 63 SER H H 63 8.052 7.922 0.130 1
1 601 . 9 1 1 A 63 63 SER HA H 63 4.665 4.611 0.054 1
1 604 . 9 1 1 A 63 63 SER CA C 63 57.747 57.748 -0.001 1
1 605 . 9 1 1 A 63 63 SER CB C 63 64.991 61.768 3.223 1
1 606 . 9 1 1 A 63 63 SER N N 63 119.427 115.306 4.121 1
1 607 . 9 1 1 A 64 64 ILE H H 64 8.191 7.710 0.481 1
1 608 . 9 1 1 A 64 64 ILE HA H 64 4.313 4.861 -0.548 1
1 617 . 9 1 1 A 64 64 ILE CA C 64 59.873 57.493 2.380 1
1 618 . 9 1 1 A 64 64 ILE CB C 64 38.818 40.335 -1.517 1
1 621 . 9 1 1 A 64 64 ILE N N 64 122.947 118.755 4.192 1
1 622 . 9 1 1 A 65 65 PRO HA H 65 4.466 4.350 0.116 1
1 628 . 9 1 1 A 65 65 PRO CA C 65 64.303 64.759 -0.456 1
1 629 . 9 1 1 A 65 65 PRO CB C 65 32.672 31.906 0.766 1
1 632 . 9 1 1 A 66 66 SER H H 66 8.002 8.099 -0.097 1
1 633 . 9 1 1 A 66 66 SER HA H 66 4.498 4.114 0.384 1
1 635 . 9 1 1 A 66 66 SER CA C 66 58.702 59.547 -0.845 1
1 636 . 9 1 1 A 66 66 SER CB C 66 64.819 62.434 2.385 1
1 637 . 9 1 1 A 66 66 SER N N 66 112.889 113.412 -0.523 1
1 638 . 9 1 1 A 67 67 LYS H H 67 8.137 7.891 0.246 1
1 639 . 9 1 1 A 67 67 LYS HA H 67 4.347 4.593 -0.246 1
1 641 . 9 1 1 A 67 67 LYS C C 67 176.555 177.473 -0.918 1
1 642 . 9 1 1 A 67 67 LYS CA C 67 57.061 57.519 -0.458 1
1 643 . 9 1 1 A 67 67 LYS CB C 67 33.669 35.013 -1.344 1
1 647 . 9 1 1 A 67 67 LYS N N 67 122.114 119.227 2.887 1
1 648 . 9 1 1 A 68 68 LYS H H 68 8.118 8.431 -0.313 1
1 649 . 9 1 1 A 68 68 LYS HA H 68 4.322 4.027 0.295 1
1 651 . 9 1 1 A 68 68 LYS C C 68 176.446 177.357 -0.911 1
1 652 . 9 1 1 A 68 68 LYS CA C 68 57.043 59.665 -2.622 1
1 653 . 9 1 1 A 68 68 LYS CB C 68 33.531 32.258 1.273 1
1 657 . 9 1 1 A 68 68 LYS N N 68 121.435 120.802 0.633 1
1 658 . 9 1 1 A 69 69 LYS H H 69 8.394 7.750 0.644 1
1 659 . 9 1 1 A 69 69 LYS HA H 69 4.351 4.503 -0.152 1
1 663 . 9 1 1 A 69 69 LYS C C 69 175.623 176.220 -0.597 1
1 664 . 9 1 1 A 69 69 LYS CA C 69 56.762 55.028 1.734 1
1 665 . 9 1 1 A 69 69 LYS CB C 69 33.782 32.560 1.222 1
1 669 . 9 1 1 A 69 69 LYS N N 69 121.052 116.006 5.046 1
1 670 . 9 1 1 A 70 70 ASN H H 70 8.014 8.072 -0.058 1
1 671 . 9 1 1 A 70 70 ASN HA H 70 4.515 4.478 0.037 1
1 675 . 9 1 1 A 70 70 ASN CA C 70 55.331 55.425 -0.094 1
1 676 . 9 1 1 A 70 70 ASN CB C 70 41.478 37.280 4.198 1
1 677 . 9 1 1 A 70 70 ASN N N 70 125.005 114.704 10.301 1
1 679 . 9 1 1 A 71 71 GLY H H 71 8.255 8.523 -0.268 1
1 680 . 9 1 1 A 71 71 GLY HA2 H 71 3.986 3.981 0.005 1
1 681 . 9 1 1 A 71 71 GLY C C 71 174.458 174.168 0.290 1
1 682 . 9 1 1 A 71 71 GLY CA C 71 46.110 46.383 -0.273 1
1 683 . 9 1 1 A 71 71 GLY N N 71 114.247 109.048 5.199 1
1 684 . 9 1 1 A 72 72 ASN H H 72 8.462 7.891 0.571 1
1 685 . 9 1 1 A 72 72 ASN HA H 72 4.796 4.934 -0.138 1
1 689 . 9 1 1 A 72 72 ASN C C 72 175.757 175.039 0.718 1
1 690 . 9 1 1 A 72 72 ASN CA C 72 53.882 52.618 1.264 1
1 691 . 9 1 1 A 72 72 ASN CB C 72 39.885 40.742 -0.857 1
1 692 . 9 1 1 A 72 72 ASN N N 72 118.314 118.434 -0.120 1
1 694 . 9 1 1 A 73 73 GLY H H 73 8.469 8.186 0.283 1
1 695 . 9 1 1 A 73 73 GLY HA2 H 73 3.968 4.039 -0.071 1
1 696 . 9 1 1 A 73 73 GLY C C 73 174.791 174.012 0.779 1
1 697 . 9 1 1 A 73 73 GLY CA C 73 46.247 45.658 0.589 1
1 698 . 9 1 1 A 73 73 GLY N N 73 109.019 109.218 -0.199 1
1 699 . 9 1 1 A 74 74 GLY H H 74 7.946 8.428 -0.482 1
1 700 . 9 1 1 A 74 74 GLY HA2 H 74 4.112 3.947 0.165 1
1 701 . 9 1 1 A 74 74 GLY HA3 H 74 4.177 3.976 0.201 1
1 702 . 9 1 1 A 74 74 GLY C C 74 175.399 175.441 -0.042 1
1 703 . 9 1 1 A 74 74 GLY CA C 74 45.825 46.610 -0.785 1
1 704 . 9 1 1 A 74 74 GLY N N 74 108.672 110.721 -2.049 1
1 705 . 9 1 1 A 75 75 VAL H H 75 8.168 7.828 0.340 1
1 706 . 9 1 1 A 75 75 VAL HA H 75 3.881 3.807 0.074 1
1 714 . 9 1 1 A 75 75 VAL C C 75 176.466 177.136 -0.670 1
1 715 . 9 1 1 A 75 75 VAL CA C 75 64.845 64.945 -0.100 1
1 716 . 9 1 1 A 75 75 VAL CB C 75 32.811 30.915 1.896 1
1 719 . 9 1 1 A 75 75 VAL N N 75 119.832 121.105 -1.273 1
1 720 . 9 1 1 A 76 76 PHE H H 76 8.138 7.482 0.656 1
1 721 . 9 1 1 A 76 76 PHE HA H 76 4.664 4.438 0.226 1
1 729 . 9 1 1 A 76 76 PHE C C 76 176.775 178.922 -2.147 1
1 730 . 9 1 1 A 76 76 PHE CA C 76 58.810 60.854 -2.044 1
1 731 . 9 1 1 A 76 76 PHE CB C 76 39.177 39.532 -0.355 1
1 732 . 9 1 1 A 76 76 PHE N N 76 118.007 120.905 -2.898 1
1 733 . 9 1 1 A 77 77 GLY H H 77 8.080 8.672 -0.592 1
1 734 . 9 1 1 A 77 77 GLY HA2 H 77 3.948 3.834 0.114 1
1 735 . 9 1 1 A 77 77 GLY C C 77 175.581 177.150 -1.569 1
1 736 . 9 1 1 A 77 77 GLY CA C 77 47.292 47.287 0.005 1
1 737 . 9 1 1 A 77 77 GLY N N 77 107.115 106.977 0.138 1
1 738 . 9 1 1 A 78 78 GLY H H 78 8.136 8.614 -0.478 1
1 739 . 9 1 1 A 78 78 GLY HA2 H 78 4.011 3.777 0.234 1
1 740 . 9 1 1 A 78 78 GLY C C 78 175.337 175.514 -0.177 1
1 741 . 9 1 1 A 78 78 GLY CA C 78 46.315 46.759 -0.444 1
1 742 . 9 1 1 A 78 78 GLY N N 78 108.462 109.954 -1.492 1
1 743 . 9 1 1 A 79 79 LEU H H 79 7.641 8.062 -0.421 1
1 744 . 9 1 1 A 79 79 LEU HA H 79 4.022 4.255 -0.233 1
1 753 . 9 1 1 A 79 79 LEU C C 79 177.256 178.933 -1.677 1
1 754 . 9 1 1 A 79 79 LEU CA C 79 57.813 57.267 0.546 1
1 755 . 9 1 1 A 79 79 LEU CB C 79 43.316 42.292 1.024 1
1 759 . 9 1 1 A 79 79 LEU N N 79 121.664 123.891 -2.227 1
1 760 . 9 1 1 A 80 80 PHE H H 80 7.944 8.279 -0.335 1
1 761 . 9 1 1 A 80 80 PHE HA H 80 4.633 4.179 0.454 1
1 768 . 9 1 1 A 80 80 PHE C C 80 175.433 177.964 -2.531 1
1 769 . 9 1 1 A 80 80 PHE CA C 80 58.208 61.752 -3.544 1
1 770 . 9 1 1 A 80 80 PHE CB C 80 39.615 38.555 1.060 1
1 771 . 9 1 1 A 80 80 PHE N N 80 114.796 118.645 -3.849 1
1 772 . 9 1 1 A 81 81 ALA H H 81 7.611 7.328 0.283 1
1 773 . 9 1 1 A 81 81 ALA HA H 81 4.364 4.038 0.326 1
1 777 . 9 1 1 A 81 81 ALA C C 81 177.568 177.720 -0.152 1
1 778 . 9 1 1 A 81 81 ALA CA C 81 52.989 55.294 -2.305 1
1 779 . 9 1 1 A 81 81 ALA CB C 81 19.902 18.506 1.396 1
1 780 . 9 1 1 A 81 81 ALA N N 81 122.618 121.564 1.054 1
1 781 . 9 1 1 A 82 82 LYS H H 82 8.155 7.989 0.166 1
1 782 . 9 1 1 A 82 82 LYS HA H 82 4.313 3.936 0.377 1
1 784 . 9 1 1 A 82 82 LYS C C 82 176.941 175.587 1.354 1
1 785 . 9 1 1 A 82 82 LYS CA C 82 57.023 57.155 -0.132 1
1 786 . 9 1 1 A 82 82 LYS CB C 82 33.299 30.868 2.431 1
1 789 . 9 1 1 A 82 82 LYS N N 82 120.345 117.792 2.553 1
1 790 . 9 1 1 A 83 83 LYS H H 83 8.256 7.951 0.305 1
1 791 . 9 1 1 A 83 83 LYS HA H 83 4.378 4.288 0.090 1
1 794 . 9 1 1 A 83 83 LYS CA C 83 56.618 56.911 -0.293 1
1 795 . 9 1 1 A 83 83 LYS CB C 83 33.767 33.613 0.154 1
1 799 . 9 1 1 A 83 83 LYS N N 83 122.901 118.845 4.056 1
1 6 . 10 1 1 A 2 2 ALA H H 2 8.448 8.079 0.369 1
1 7 . 10 1 1 A 2 2 ALA HA H 2 4.314 4.486 -0.172 1
1 11 . 10 1 1 A 2 2 ALA C C 2 177.731 175.619 2.112 1
1 12 . 10 1 1 A 2 2 ALA CA C 2 53.711 51.036 2.675 1
1 13 . 10 1 1 A 2 2 ALA CB C 2 19.629 18.119 1.510 1
1 14 . 10 1 1 A 2 2 ALA N N 2 125.995 124.934 1.061 1
1 15 . 10 1 1 A 3 3 ALA H H 3 8.148 8.009 0.139 1
1 16 . 10 1 1 A 3 3 ALA HA H 3 4.292 4.779 -0.487 1
1 20 . 10 1 1 A 3 3 ALA C C 3 177.888 176.404 1.484 1
1 21 . 10 1 1 A 3 3 ALA CA C 3 53.439 50.421 3.018 1
1 22 . 10 1 1 A 3 3 ALA CB C 3 19.671 23.210 -3.539 1
1 23 . 10 1 1 A 3 3 ALA N N 3 121.767 123.200 -1.433 1
1 24 . 10 1 1 A 4 4 LYS H H 4 8.047 8.985 -0.938 1
1 25 . 10 1 1 A 4 4 LYS HA H 4 4.314 4.485 -0.171 1
1 27 . 10 1 1 A 4 4 LYS C C 4 177.363 176.945 0.418 1
1 28 . 10 1 1 A 4 4 LYS CA C 4 57.279 57.205 0.074 1
1 29 . 10 1 1 A 4 4 LYS CB C 4 33.570 34.336 -0.766 1
1 33 . 10 1 1 A 4 4 LYS N N 4 119.233 119.697 -0.464 1
1 34 . 10 1 1 A 5 5 GLY H H 5 8.317 8.021 0.296 1
1 35 . 10 1 1 A 5 5 GLY HA2 H 5 4.039 3.944 0.095 1
1 36 . 10 1 1 A 5 5 GLY C C 5 174.706 174.632 0.074 1
1 37 . 10 1 1 A 5 5 GLY CA C 5 46.246 46.742 -0.496 1
1 38 . 10 1 1 A 5 5 GLY N N 5 109.070 107.297 1.773 1
1 39 . 10 1 1 A 6 6 THR H H 6 8.002 7.972 0.030 1
1 40 . 10 1 1 A 6 6 THR HA H 6 4.357 4.140 0.217 1
1 42 . 10 1 1 A 6 6 THR C C 6 174.839 176.663 -1.824 1
1 43 . 10 1 1 A 6 6 THR CA C 6 62.444 64.579 -2.135 1
1 44 . 10 1 1 A 6 6 THR CB C 6 70.490 69.196 1.294 1
1 46 . 10 1 1 A 6 6 THR N N 6 112.809 114.556 -1.747 1
1 47 . 10 1 1 A 7 7 ALA H H 7 8.309 7.810 0.499 1
1 48 . 10 1 1 A 7 7 ALA HA H 7 4.322 4.008 0.314 1
1 52 . 10 1 1 A 7 7 ALA C C 7 178.032 177.719 0.313 1
1 53 . 10 1 1 A 7 7 ALA CA C 7 53.792 55.259 -1.467 1
1 54 . 10 1 1 A 7 7 ALA CB C 7 19.733 18.824 0.909 1
1 55 . 10 1 1 A 7 7 ALA N N 7 125.292 121.915 3.377 1
1 56 . 10 1 1 A 8 8 GLU H H 8 8.358 8.210 0.148 1
1 57 . 10 1 1 A 8 8 GLU HA H 8 4.297 4.003 0.294 1
1 59 . 10 1 1 A 8 8 GLU C C 8 176.936 175.652 1.284 1
1 60 . 10 1 1 A 8 8 GLU CA C 8 57.618 57.244 0.374 1
1 61 . 10 1 1 A 8 8 GLU CB C 8 30.792 28.207 2.585 1
1 63 . 10 1 1 A 8 8 GLU N N 8 118.943 117.131 1.812 1
1 64 . 10 1 1 A 9 9 THR H H 9 7.974 7.942 0.032 1
1 65 . 10 1 1 A 9 9 THR HA H 9 4.365 4.603 -0.238 1
1 67 . 10 1 1 A 9 9 THR C C 9 174.629 174.130 0.499 1
1 68 . 10 1 1 A 9 9 THR CA C 9 62.617 61.270 1.347 1
1 69 . 10 1 1 A 9 9 THR CB C 9 70.422 69.693 0.729 1
1 71 . 10 1 1 A 9 9 THR N N 9 113.540 118.721 -5.181 1
1 72 . 10 1 1 A 10 10 LYS H H 10 8.242 7.780 0.462 1
1 73 . 10 1 1 A 10 10 LYS HA H 10 4.314 4.687 -0.373 1
1 75 . 10 1 1 A 10 10 LYS C C 10 176.513 175.069 1.444 1
1 76 . 10 1 1 A 10 10 LYS CA C 10 57.173 55.271 1.902 1
1 77 . 10 1 1 A 10 10 LYS CB C 10 33.511 33.233 0.278 1
1 81 . 10 1 1 A 10 10 LYS N N 10 123.339 122.647 0.692 1
1 82 . 10 1 1 A 11 11 GLN H H 11 8.381 7.635 0.746 1
1 83 . 10 1 1 A 11 11 GLN HA H 11 4.322 4.668 -0.346 1
1 89 . 10 1 1 A 11 11 GLN C C 11 176.073 175.834 0.239 1
1 90 . 10 1 1 A 11 11 GLN CA C 11 56.689 54.261 2.428 1
1 91 . 10 1 1 A 11 11 GLN CB C 11 29.940 31.417 -1.477 1
1 93 . 10 1 1 A 11 11 GLN N N 11 120.885 117.791 3.094 1
1 95 . 10 1 1 A 12 12 GLU H H 12 8.407 8.847 -0.440 1
1 96 . 10 1 1 A 12 12 GLU HA H 12 4.304 3.897 0.407 1
1 98 . 10 1 1 A 12 12 GLU C C 12 176.253 175.589 0.664 1
1 99 . 10 1 1 A 12 12 GLU CA C 12 57.536 59.196 -1.660 1
1 100 . 10 1 1 A 12 12 GLU CB C 12 30.799 28.236 2.563 1
1 102 . 10 1 1 A 12 12 GLU N N 12 121.152 116.326 4.826 1
1 103 . 10 1 1 A 13 13 LYS H H 13 8.220 8.648 -0.428 1
1 104 . 10 1 1 A 13 13 LYS HA H 13 4.542 4.445 0.097 1
1 108 . 10 1 1 A 13 13 LYS C C 13 175.856 174.989 0.867 1
1 109 . 10 1 1 A 13 13 LYS CA C 13 56.335 55.297 1.038 1
1 110 . 10 1 1 A 13 13 LYS CB C 13 33.863 33.114 0.749 1
1 114 . 10 1 1 A 13 13 LYS N N 13 121.312 119.576 1.736 1
1 115 . 10 1 1 A 14 14 SER H H 14 8.447 8.192 0.255 1
1 116 . 10 1 1 A 14 14 SER HA H 14 4.639 5.009 -0.370 1
1 119 . 10 1 1 A 14 14 SER C C 14 175.529 174.961 0.568 1
1 120 . 10 1 1 A 14 14 SER CA C 14 58.802 57.281 1.521 1
1 121 . 10 1 1 A 14 14 SER CB C 14 64.803 66.888 -2.085 1
1 122 . 10 1 1 A 14 14 SER N N 14 116.487 117.970 -1.483 1
1 123 . 10 1 1 A 15 15 PHE H H 15 8.802 9.034 -0.232 1
1 124 . 10 1 1 A 15 15 PHE HA H 15 4.448 4.250 0.198 1
1 129 . 10 1 1 A 15 15 PHE C C 15 176.935 177.368 -0.433 1
1 130 . 10 1 1 A 15 15 PHE CA C 15 62.188 60.719 1.469 1
1 131 . 10 1 1 A 15 15 PHE CB C 15 39.721 37.985 1.736 1
1 132 . 10 1 1 A 15 15 PHE N N 15 124.339 122.984 1.355 1
1 133 . 10 1 1 A 16 16 VAL H H 16 8.025 7.480 0.545 1
1 134 . 10 1 1 A 16 16 VAL HA H 16 3.490 3.489 0.001 1
1 142 . 10 1 1 A 16 16 VAL C C 16 177.123 177.374 -0.251 1
1 143 . 10 1 1 A 16 16 VAL CA C 16 67.959 64.634 3.325 1
1 144 . 10 1 1 A 16 16 VAL CB C 16 32.250 30.691 1.559 1
1 147 . 10 1 1 A 16 16 VAL N N 16 118.329 120.860 -2.531 1
1 148 . 10 1 1 A 17 17 ASP H H 17 7.926 8.171 -0.245 1
1 149 . 10 1 1 A 17 17 ASP HA H 17 4.354 4.270 0.084 1
1 152 . 10 1 1 A 17 17 ASP C C 17 179.625 178.170 1.455 1
1 153 . 10 1 1 A 17 17 ASP CA C 17 58.204 57.240 0.964 1
1 154 . 10 1 1 A 17 17 ASP CB C 17 41.324 41.462 -0.138 1
1 155 . 10 1 1 A 17 17 ASP N N 17 118.753 120.889 -2.136 1
1 156 . 10 1 1 A 18 18 TRP H H 18 8.174 7.924 0.250 1
1 157 . 10 1 1 A 18 18 TRP HA H 18 4.111 4.352 -0.241 1
1 163 . 10 1 1 A 18 18 TRP CA C 18 62.194 60.753 1.441 1
1 164 . 10 1 1 A 18 18 TRP CB C 18 29.150 29.610 -0.460 1
1 165 . 10 1 1 A 18 18 TRP N N 18 122.311 121.525 0.786 1
1 167 . 10 1 1 A 19 19 LEU H H 19 8.517 8.904 -0.387 1
1 168 . 10 1 1 A 19 19 LEU HA H 19 3.447 4.092 -0.645 1
1 178 . 10 1 1 A 19 19 LEU C C 19 179.115 179.148 -0.033 1
1 179 . 10 1 1 A 19 19 LEU CA C 19 58.630 58.492 0.138 1
1 180 . 10 1 1 A 19 19 LEU CB C 19 42.676 42.118 0.558 1
1 184 . 10 1 1 A 19 19 LEU N N 19 120.943 121.566 -0.623 1
1 185 . 10 1 1 A 20 20 LEU H H 20 8.713 8.577 0.136 1
1 186 . 10 1 1 A 20 20 LEU HA H 20 3.972 3.962 0.010 1
1 196 . 10 1 1 A 20 20 LEU C C 20 180.266 178.768 1.498 1
1 197 . 10 1 1 A 20 20 LEU CA C 20 58.318 57.613 0.705 1
1 198 . 10 1 1 A 20 20 LEU CB C 20 41.655 41.541 0.114 1
1 202 . 10 1 1 A 20 20 LEU N N 20 117.598 119.356 -1.758 1
1 203 . 10 1 1 A 21 21 GLY H H 21 7.783 8.248 -0.465 1
1 204 . 10 1 1 A 21 21 GLY HA2 H 21 3.829 3.604 0.225 1
1 205 . 10 1 1 A 21 21 GLY C C 21 175.390 175.290 0.100 1
1 206 . 10 1 1 A 21 21 GLY CA C 21 46.978 46.535 0.443 1
1 207 . 10 1 1 A 21 21 GLY N N 21 106.102 107.049 -0.947 1
1 208 . 10 1 1 A 22 22 LYS H H 22 7.443 7.918 -0.475 1
1 209 . 10 1 1 A 22 22 LYS HA H 22 4.090 4.086 0.004 1
1 217 . 10 1 1 A 22 22 LYS C C 22 177.806 178.585 -0.779 1
1 218 . 10 1 1 A 22 22 LYS CA C 22 56.974 59.103 -2.129 1
1 219 . 10 1 1 A 22 22 LYS CB C 22 32.718 32.318 0.400 1
1 223 . 10 1 1 A 22 22 LYS N N 22 118.883 121.123 -2.240 1
1 224 . 10 1 1 A 23 23 ILE H H 23 7.550 7.516 0.034 1
1 225 . 10 1 1 A 23 23 ILE HA H 23 4.165 4.130 0.035 1
1 235 . 10 1 1 A 23 23 ILE C C 23 175.996 175.428 0.568 1
1 236 . 10 1 1 A 23 23 ILE CA C 23 62.916 63.089 -0.173 1
1 237 . 10 1 1 A 23 23 ILE CB C 23 39.444 38.623 0.821 1
1 241 . 10 1 1 A 23 23 ILE N N 23 114.457 117.245 -2.788 1
1 242 . 10 1 1 A 24 24 THR H H 24 7.778 7.905 -0.127 1
1 243 . 10 1 1 A 24 24 THR HA H 24 4.379 3.876 0.503 1
1 248 . 10 1 1 A 24 24 THR C C 24 174.616 173.801 0.815 1
1 249 . 10 1 1 A 24 24 THR CA C 24 62.699 62.163 0.536 1
1 250 . 10 1 1 A 24 24 THR CB C 24 70.567 67.172 3.395 1
1 252 . 10 1 1 A 24 24 THR N N 24 113.224 113.413 -0.189 1
1 253 . 10 1 1 A 25 25 LYS H H 25 7.956 7.976 -0.020 1
1 259 . 10 1 1 A 25 25 LYS CA C 25 56.696 57.252 -0.556 1
1 260 . 10 1 1 A 25 25 LYS CB C 25 33.428 32.919 0.509 1
1 262 . 10 1 1 A 25 25 LYS N N 25 122.468 121.505 0.963 1
1 263 . 10 1 1 A 26 26 GLU H H 26 8.392 8.949 -0.557 1
1 264 . 10 1 1 A 26 26 GLU HA H 26 4.230 4.467 -0.237 1
1 268 . 10 1 1 A 26 26 GLU C C 26 176.320 178.159 -1.839 1
1 269 . 10 1 1 A 26 26 GLU CA C 26 57.616 57.659 -0.043 1
1 270 . 10 1 1 A 26 26 GLU CB C 26 30.854 30.250 0.604 1
1 272 . 10 1 1 A 26 26 GLU N N 26 121.068 124.072 -3.004 1
1 273 . 10 1 1 A 27 27 ASP H H 27 8.299 8.273 0.026 1
1 274 . 10 1 1 A 27 27 ASP HA H 27 4.496 4.440 0.056 1
1 276 . 10 1 1 A 27 27 ASP C C 27 175.931 177.120 -1.189 1
1 277 . 10 1 1 A 27 27 ASP CA C 27 55.161 56.822 -1.661 1
1 278 . 10 1 1 A 27 27 ASP CB C 27 41.532 41.005 0.527 1
1 279 . 10 1 1 A 27 27 ASP N N 27 119.412 120.282 -0.870 1
1 280 . 10 1 1 A 28 28 GLN H H 28 8.108 7.906 0.202 1
1 281 . 10 1 1 A 28 28 GLN HA H 28 4.215 4.609 -0.394 1
1 286 . 10 1 1 A 28 28 GLN C C 28 175.845 176.249 -0.404 1
1 287 . 10 1 1 A 28 28 GLN CA C 28 56.559 57.152 -0.593 1
1 288 . 10 1 1 A 28 28 GLN CB C 28 30.105 30.370 -0.265 1
1 290 . 10 1 1 A 28 28 GLN N N 28 119.037 113.431 5.606 1
1 292 . 10 1 1 A 29 29 PHE H H 29 8.235 8.201 0.034 1
1 293 . 10 1 1 A 29 29 PHE HA H 29 4.514 4.132 0.382 1
1 299 . 10 1 1 A 29 29 PHE C C 29 175.361 174.095 1.266 1
1 300 . 10 1 1 A 29 29 PHE CA C 29 58.810 58.833 -0.023 1
1 301 . 10 1 1 A 29 29 PHE CB C 29 40.000 37.487 2.513 1
1 302 . 10 1 1 A 29 29 PHE N N 29 120.622 118.931 1.691 1
1 303 . 10 1 1 A 30 30 TYR H H 30 7.715 7.777 -0.062 1
1 304 . 10 1 1 A 30 30 TYR HA H 30 4.508 5.328 -0.820 1
1 310 . 10 1 1 A 30 30 TYR C C 30 175.416 174.913 0.503 1
1 311 . 10 1 1 A 30 30 TYR CA C 30 58.544 55.330 3.214 1
1 312 . 10 1 1 A 30 30 TYR CB C 30 39.613 41.258 -1.645 1
1 313 . 10 1 1 A 30 30 TYR N N 30 119.864 116.540 3.324 1
1 314 . 10 1 1 A 31 31 GLU H H 31 8.187 8.786 -0.599 1
1 315 . 10 1 1 A 31 31 GLU HA H 31 4.293 4.544 -0.251 1
1 319 . 10 1 1 A 31 31 GLU C C 31 176.148 176.388 -0.240 1
1 320 . 10 1 1 A 31 31 GLU CA C 31 57.172 56.692 0.480 1
1 321 . 10 1 1 A 31 31 GLU CB C 31 30.845 31.831 -0.986 1
1 323 . 10 1 1 A 31 31 GLU N N 31 121.546 118.241 3.305 1
1 324 . 10 1 1 A 32 32 THR H H 32 7.864 7.743 0.121 1
1 325 . 10 1 1 A 32 32 THR HA H 32 4.359 4.784 -0.425 1
1 330 . 10 1 1 A 32 32 THR C C 32 173.970 173.020 0.950 1
1 331 . 10 1 1 A 32 32 THR CA C 32 62.043 61.337 0.706 1
1 332 . 10 1 1 A 32 32 THR CB C 32 70.721 70.097 0.624 1
1 334 . 10 1 1 A 32 32 THR N N 32 113.695 113.967 -0.272 1
1 335 . 10 1 1 A 33 33 ASP H H 33 8.317 8.165 0.152 1
1 336 . 10 1 1 A 33 33 ASP HA H 33 4.880 5.100 -0.220 1
1 339 . 10 1 1 A 33 33 ASP CA C 33 53.661 51.645 2.016 1
1 340 . 10 1 1 A 33 33 ASP CB C 33 41.474 41.839 -0.365 1
1 341 . 10 1 1 A 33 33 ASP N N 33 123.601 123.337 0.264 1
1 342 . 10 1 1 A 34 34 PRO HA H 34 4.408 4.275 0.133 1
1 348 . 10 1 1 A 34 34 PRO C C 34 174.420 175.946 -1.526 1
1 349 . 10 1 1 A 34 34 PRO CA C 34 64.164 62.490 1.674 1
1 350 . 10 1 1 A 34 34 PRO CB C 34 32.774 31.366 1.408 1
1 353 . 10 1 1 A 35 35 ILE H H 35 8.143 8.195 -0.052 1
1 354 . 10 1 1 A 35 35 ILE HA H 35 4.046 4.746 -0.700 1
1 364 . 10 1 1 A 35 35 ILE C C 35 176.474 175.943 0.531 1
1 365 . 10 1 1 A 35 35 ILE CA C 35 62.937 58.908 4.029 1
1 366 . 10 1 1 A 35 35 ILE CB C 35 39.275 41.269 -1.994 1
1 370 . 10 1 1 A 35 35 ILE N N 35 120.322 117.318 3.004 1
1 371 . 10 1 1 A 36 36 LEU H H 36 7.975 8.737 -0.762 1
1 372 . 10 1 1 A 36 36 LEU HA H 36 4.398 4.023 0.375 1
1 381 . 10 1 1 A 36 36 LEU C C 36 177.299 176.782 0.517 1
1 382 . 10 1 1 A 36 36 LEU CA C 36 56.022 57.485 -1.463 1
1 383 . 10 1 1 A 36 36 LEU CB C 36 42.837 40.842 1.995 1
1 387 . 10 1 1 A 36 36 LEU N N 36 121.023 121.374 -0.351 1
1 388 . 10 1 1 A 37 37 ARG H H 37 7.932 8.907 -0.975 1
1 389 . 10 1 1 A 37 37 ARG HA H 37 4.345 4.123 0.222 1
1 395 . 10 1 1 A 37 37 ARG C C 37 176.869 177.783 -0.914 1
1 396 . 10 1 1 A 37 37 ARG CA C 37 56.912 57.851 -0.939 1
1 397 . 10 1 1 A 37 37 ARG CB C 37 31.127 29.518 1.609 1
1 400 . 10 1 1 A 37 37 ARG N N 37 118.673 118.130 0.543 1
1 402 . 10 1 1 A 38 38 GLY H H 38 8.271 7.825 0.446 1
1 403 . 10 1 1 A 38 38 GLY HA2 H 38 3.986 3.874 0.112 1
1 404 . 10 1 1 A 38 38 GLY C C 38 174.864 174.687 0.177 1
1 405 . 10 1 1 A 38 38 GLY CA C 38 46.258 45.691 0.567 1
1 406 . 10 1 1 A 38 38 GLY N N 38 108.377 107.746 0.631 1
1 407 . 10 1 1 A 39 39 GLY H H 39 8.218 8.166 0.052 1
1 408 . 10 1 1 A 39 39 GLY HA2 H 39 3.998 3.878 0.120 1
1 409 . 10 1 1 A 39 39 GLY C C 39 174.158 174.212 -0.054 1
1 410 . 10 1 1 A 39 39 GLY CA C 39 46.187 46.922 -0.735 1
1 411 . 10 1 1 A 39 39 GLY N N 39 108.485 107.012 1.473 1
1 412 . 10 1 1 A 40 40 ASP H H 40 8.274 8.393 -0.119 1
1 413 . 10 1 1 A 40 40 ASP HA H 40 4.699 4.862 -0.163 1
1 415 . 10 1 1 A 40 40 ASP C C 40 176.791 176.674 0.117 1
1 416 . 10 1 1 A 40 40 ASP CA C 40 55.105 55.216 -0.111 1
1 417 . 10 1 1 A 40 40 ASP CB C 40 41.715 43.794 -2.079 1
1 418 . 10 1 1 A 40 40 ASP N N 40 120.261 119.073 1.188 1
1 419 . 10 1 1 A 41 41 VAL H H 41 8.071 7.922 0.149 1
1 420 . 10 1 1 A 41 41 VAL HA H 41 3.993 3.948 0.045 1
1 425 . 10 1 1 A 41 41 VAL C C 41 176.869 175.648 1.221 1
1 426 . 10 1 1 A 41 41 VAL CA C 41 64.502 64.785 -0.283 1
1 427 . 10 1 1 A 41 41 VAL CB C 41 32.773 32.331 0.442 1
1 429 . 10 1 1 A 41 41 VAL N N 41 120.111 119.609 0.502 1
1 430 . 10 1 1 A 42 42 LYS H H 42 8.213 7.998 0.215 1
1 431 . 10 1 1 A 42 42 LYS HA H 42 4.299 3.946 0.353 1
1 434 . 10 1 1 A 42 42 LYS C C 42 177.041 175.304 1.737 1
1 435 . 10 1 1 A 42 42 LYS CA C 42 57.639 57.147 0.492 1
1 436 . 10 1 1 A 42 42 LYS CB C 42 33.227 30.956 2.271 1
1 440 . 10 1 1 A 42 42 LYS N N 42 121.557 121.987 -0.430 1
1 441 . 10 1 1 A 43 43 SER H H 43 8.126 7.848 0.278 1
1 442 . 10 1 1 A 43 43 SER HA H 43 4.452 5.036 -0.584 1
1 444 . 10 1 1 A 43 43 SER C C 43 175.085 173.048 2.037 1
1 445 . 10 1 1 A 43 43 SER CA C 43 59.403 56.345 3.058 1
1 446 . 10 1 1 A 43 43 SER CB C 43 64.208 65.974 -1.766 1
1 447 . 10 1 1 A 43 43 SER N N 43 115.295 115.618 -0.323 1
1 448 . 10 1 1 A 44 44 SER H H 44 8.251 8.502 -0.251 1
1 449 . 10 1 1 A 44 44 SER HA H 44 4.479 5.024 -0.545 1
1 451 . 10 1 1 A 44 44 SER C C 44 175.331 173.224 2.107 1
1 452 . 10 1 1 A 44 44 SER CA C 44 59.701 56.772 2.929 1
1 453 . 10 1 1 A 44 44 SER CB C 44 64.453 65.946 -1.493 1
1 454 . 10 1 1 A 44 44 SER N N 44 117.357 115.041 2.316 1
1 455 . 10 1 1 A 45 45 GLY H H 45 8.401 8.433 -0.032 1
1 456 . 10 1 1 A 45 45 GLY HA2 H 45 4.030 4.132 -0.102 1
1 457 . 10 1 1 A 45 45 GLY C C 45 174.472 173.677 0.795 1
1 458 . 10 1 1 A 45 45 GLY CA C 45 46.258 44.073 2.185 1
1 459 . 10 1 1 A 45 45 GLY N N 45 110.523 108.657 1.866 1
1 460 . 10 1 1 A 46 46 SER H H 46 8.177 8.685 -0.508 1
1 461 . 10 1 1 A 46 46 SER HA H 46 4.536 4.440 0.096 1
1 463 . 10 1 1 A 46 46 SER C C 46 175.206 173.805 1.401 1
1 464 . 10 1 1 A 46 46 SER CA C 46 59.244 60.561 -1.317 1
1 465 . 10 1 1 A 46 46 SER CB C 46 64.484 62.620 1.864 1
1 466 . 10 1 1 A 46 46 SER N N 46 115.297 115.418 -0.121 1
1 467 . 10 1 1 A 47 47 THR H H 47 8.198 8.443 -0.245 1
1 468 . 10 1 1 A 47 47 THR HA H 47 4.432 4.987 -0.555 1
1 470 . 10 1 1 A 47 47 THR C C 47 174.939 173.659 1.280 1
1 471 . 10 1 1 A 47 47 THR CA C 47 62.746 60.867 1.879 1
1 472 . 10 1 1 A 47 47 THR CB C 47 70.246 69.671 0.575 1
1 474 . 10 1 1 A 47 47 THR N N 47 114.635 114.086 0.549 1
1 475 . 10 1 1 A 48 48 SER H H 48 8.228 8.742 -0.514 1
1 476 . 10 1 1 A 48 48 SER HA H 48 4.473 4.575 -0.102 1
1 478 . 10 1 1 A 48 48 SER C C 48 175.241 174.819 0.422 1
1 479 . 10 1 1 A 48 48 SER CA C 48 59.480 58.473 1.007 1
1 480 . 10 1 1 A 48 48 SER CB C 48 64.429 64.478 -0.049 1
1 481 . 10 1 1 A 48 48 SER N N 48 117.146 123.235 -6.089 1
1 482 . 10 1 1 A 49 49 GLY H H 49 8.342 8.458 -0.116 1
1 483 . 10 1 1 A 49 49 GLY HA2 H 49 4.048 4.206 -0.158 1
1 484 . 10 1 1 A 49 49 GLY C C 49 174.776 174.903 -0.127 1
1 485 . 10 1 1 A 49 49 GLY CA C 49 46.233 45.764 0.469 1
1 486 . 10 1 1 A 49 49 GLY N N 49 110.627 111.604 -0.977 1
1 487 . 10 1 1 A 50 50 LYS H H 50 8.124 7.688 0.436 1
1 488 . 10 1 1 A 50 50 LYS HA H 50 4.302 4.355 -0.053 1
1 490 . 10 1 1 A 50 50 LYS C C 50 176.932 176.137 0.795 1
1 491 . 10 1 1 A 50 50 LYS CA C 50 57.333 57.558 -0.225 1
1 492 . 10 1 1 A 50 50 LYS CB C 50 33.497 33.113 0.384 1
1 496 . 10 1 1 A 50 50 LYS N N 50 120.037 118.270 1.767 1
1 497 . 10 1 1 A 51 51 LYS H H 51 8.089 7.853 0.236 1
1 498 . 10 1 1 A 51 51 LYS HA H 51 4.325 4.487 -0.162 1
1 500 . 10 1 1 A 51 51 LYS C C 51 177.169 176.494 0.675 1
1 501 . 10 1 1 A 51 51 LYS CA C 51 57.251 56.128 1.123 1
1 502 . 10 1 1 A 51 51 LYS CB C 51 33.293 33.424 -0.131 1
1 506 . 10 1 1 A 51 51 LYS N N 51 120.805 118.956 1.849 1
1 507 . 10 1 1 A 52 52 GLY H H 52 8.304 8.615 -0.311 1
1 508 . 10 1 1 A 52 52 GLY HA2 H 52 4.005 4.070 -0.065 1
1 509 . 10 1 1 A 52 52 GLY C C 52 174.545 174.311 0.234 1
1 510 . 10 1 1 A 52 52 GLY CA C 52 46.250 45.596 0.654 1
1 511 . 10 1 1 A 52 52 GLY N N 52 109.109 112.500 -3.391 1
1 512 . 10 1 1 A 53 53 GLY H H 53 8.201 7.991 0.210 1
1 513 . 10 1 1 A 53 53 GLY HA2 H 53 4.051 3.955 0.096 1
1 514 . 10 1 1 A 53 53 GLY C C 53 174.771 174.446 0.325 1
1 515 . 10 1 1 A 53 53 GLY CA C 53 46.204 46.655 -0.451 1
1 516 . 10 1 1 A 53 53 GLY N N 53 108.474 108.790 -0.316 1
1 517 . 10 1 1 A 54 54 THR H H 54 8.115 7.960 0.155 1
1 518 . 10 1 1 A 54 54 THR HA H 54 4.442 4.766 -0.324 1
1 522 . 10 1 1 A 54 54 THR C C 54 175.190 174.183 1.007 1
1 523 . 10 1 1 A 54 54 THR CA C 54 62.904 61.173 1.731 1
1 524 . 10 1 1 A 54 54 THR CB C 54 70.261 70.205 0.056 1
1 525 . 10 1 1 A 54 54 THR N N 54 113.386 114.714 -1.328 1
1 526 . 10 1 1 A 55 55 THR H H 55 8.158 8.995 -0.837 1
1 527 . 10 1 1 A 55 55 THR HA H 55 4.452 4.318 0.134 1
1 531 . 10 1 1 A 55 55 THR C C 55 175.050 174.398 0.652 1
1 532 . 10 1 1 A 55 55 THR CA C 55 62.740 64.111 -1.371 1
1 533 . 10 1 1 A 55 55 THR CB C 55 70.171 69.404 0.767 1
1 535 . 10 1 1 A 55 55 THR N N 55 114.825 122.179 -7.354 1
1 536 . 10 1 1 A 56 56 SER H H 56 8.233 8.875 -0.642 1
1 537 . 10 1 1 A 56 56 SER HA H 56 4.484 4.597 -0.113 1
1 539 . 10 1 1 A 56 56 SER C C 56 175.314 175.671 -0.357 1
1 540 . 10 1 1 A 56 56 SER CA C 56 59.419 59.560 -0.141 1
1 541 . 10 1 1 A 56 56 SER CB C 56 64.576 64.474 0.102 1
1 542 . 10 1 1 A 56 56 SER N N 56 117.144 120.525 -3.381 1
1 543 . 10 1 1 A 57 57 GLY H H 57 8.340 8.348 -0.008 1
1 544 . 10 1 1 A 57 57 GLY HA2 H 57 4.043 3.697 0.346 1
1 545 . 10 1 1 A 57 57 GLY C C 57 176.801 174.955 1.846 1
1 546 . 10 1 1 A 57 57 GLY CA C 57 45.927 46.442 -0.515 1
1 547 . 10 1 1 A 57 57 GLY N N 57 110.613 109.664 0.949 1
1 548 . 10 1 1 A 58 58 LYS H H 58 8.125 8.145 -0.020 1
1 549 . 10 1 1 A 58 58 LYS HA H 58 4.313 4.264 0.049 1
1 554 . 10 1 1 A 58 58 LYS C C 58 176.220 175.705 0.515 1
1 555 . 10 1 1 A 58 58 LYS CA C 58 57.524 55.873 1.651 1
1 556 . 10 1 1 A 58 58 LYS CB C 58 33.485 32.669 0.816 1
1 560 . 10 1 1 A 58 58 LYS N N 58 120.526 123.920 -3.394 1
1 561 . 10 1 1 A 59 59 LYS H H 59 8.227 8.808 -0.581 1
1 562 . 10 1 1 A 59 59 LYS HA H 59 4.202 4.694 -0.492 1
1 567 . 10 1 1 A 59 59 LYS C C 59 177.075 176.346 0.729 1
1 568 . 10 1 1 A 59 59 LYS CA C 59 58.240 55.250 2.990 1
1 569 . 10 1 1 A 59 59 LYS CB C 59 33.354 32.920 0.434 1
1 573 . 10 1 1 A 59 59 LYS N N 59 121.098 125.269 -4.171 1
1 574 . 10 1 1 A 60 60 GLY H H 60 8.337 8.875 -0.538 1
1 575 . 10 1 1 A 60 60 GLY HA2 H 60 4.047 3.912 0.135 1
1 576 . 10 1 1 A 60 60 GLY C C 60 174.631 174.232 0.399 1
1 577 . 10 1 1 A 60 60 GLY CA C 60 46.282 47.319 -1.037 1
1 578 . 10 1 1 A 60 60 GLY N N 60 109.436 114.070 -4.634 1
1 579 . 10 1 1 A 61 61 THR H H 61 7.947 8.255 -0.308 1
1 580 . 10 1 1 A 61 61 THR HA H 61 4.396 4.588 -0.192 1
1 585 . 10 1 1 A 61 61 THR C C 61 174.470 175.400 -0.930 1
1 586 . 10 1 1 A 61 61 THR CA C 61 62.795 62.798 -0.003 1
1 587 . 10 1 1 A 61 61 THR CB C 61 70.637 71.597 -0.960 1
1 589 . 10 1 1 A 61 61 THR N N 61 112.095 117.339 -5.244 1
1 590 . 10 1 1 A 62 62 VAL H H 62 7.788 8.141 -0.353 1
1 591 . 10 1 1 A 62 62 VAL HA H 62 4.243 4.433 -0.190 1
1 596 . 10 1 1 A 62 62 VAL CA C 62 62.733 62.928 -0.195 1
1 597 . 10 1 1 A 62 62 VAL CB C 62 33.693 34.534 -0.841 1
1 599 . 10 1 1 A 62 62 VAL N N 62 120.973 120.408 0.565 1
1 600 . 10 1 1 A 63 63 SER H H 63 8.052 7.717 0.335 1
1 601 . 10 1 1 A 63 63 SER HA H 63 4.665 4.763 -0.098 1
1 604 . 10 1 1 A 63 63 SER CA C 63 57.747 56.805 0.942 1
1 605 . 10 1 1 A 63 63 SER CB C 63 64.991 63.118 1.873 1
1 606 . 10 1 1 A 63 63 SER N N 63 119.427 116.739 2.688 1
1 607 . 10 1 1 A 64 64 ILE H H 64 8.191 8.216 -0.025 1
1 608 . 10 1 1 A 64 64 ILE HA H 64 4.313 4.848 -0.535 1
1 617 . 10 1 1 A 64 64 ILE CA C 64 59.873 57.355 2.518 1
1 618 . 10 1 1 A 64 64 ILE CB C 64 38.818 40.227 -1.409 1
1 621 . 10 1 1 A 64 64 ILE N N 64 122.947 122.637 0.310 1
1 622 . 10 1 1 A 65 65 PRO HA H 65 4.466 4.320 0.146 1
1 628 . 10 1 1 A 65 65 PRO CA C 65 64.303 64.618 -0.315 1
1 629 . 10 1 1 A 65 65 PRO CB C 65 32.672 31.840 0.832 1
1 632 . 10 1 1 A 66 66 SER H H 66 8.002 8.022 -0.020 1
1 633 . 10 1 1 A 66 66 SER HA H 66 4.498 4.174 0.324 1
1 635 . 10 1 1 A 66 66 SER CA C 66 58.702 59.474 -0.772 1
1 636 . 10 1 1 A 66 66 SER CB C 66 64.819 61.287 3.532 1
1 637 . 10 1 1 A 66 66 SER N N 66 112.889 111.899 0.990 1
1 638 . 10 1 1 A 67 67 LYS H H 67 8.137 7.818 0.319 1
1 639 . 10 1 1 A 67 67 LYS HA H 67 4.347 4.534 -0.187 1
1 641 . 10 1 1 A 67 67 LYS C C 67 176.555 174.994 1.561 1
1 642 . 10 1 1 A 67 67 LYS CA C 67 57.061 55.895 1.166 1
1 643 . 10 1 1 A 67 67 LYS CB C 67 33.669 34.758 -1.089 1
1 647 . 10 1 1 A 67 67 LYS N N 67 122.114 119.621 2.493 1
1 648 . 10 1 1 A 68 68 LYS H H 68 8.118 8.413 -0.295 1
1 649 . 10 1 1 A 68 68 LYS HA H 68 4.322 4.255 0.067 1
1 651 . 10 1 1 A 68 68 LYS C C 68 176.446 175.537 0.909 1
1 652 . 10 1 1 A 68 68 LYS CA C 68 57.043 56.434 0.609 1
1 653 . 10 1 1 A 68 68 LYS CB C 68 33.531 32.491 1.040 1
1 657 . 10 1 1 A 68 68 LYS N N 68 121.435 124.116 -2.681 1
1 658 . 10 1 1 A 69 69 LYS H H 69 8.394 8.669 -0.275 1
1 659 . 10 1 1 A 69 69 LYS HA H 69 4.351 4.589 -0.238 1
1 663 . 10 1 1 A 69 69 LYS C C 69 175.623 176.303 -0.680 1
1 664 . 10 1 1 A 69 69 LYS CA C 69 56.762 56.356 0.406 1
1 665 . 10 1 1 A 69 69 LYS CB C 69 33.782 32.917 0.865 1
1 669 . 10 1 1 A 69 69 LYS N N 69 121.052 125.997 -4.945 1
1 670 . 10 1 1 A 70 70 ASN H H 70 8.014 8.975 -0.961 1
1 671 . 10 1 1 A 70 70 ASN HA H 70 4.515 5.038 -0.523 1
1 675 . 10 1 1 A 70 70 ASN CA C 70 55.331 52.201 3.130 1
1 676 . 10 1 1 A 70 70 ASN CB C 70 41.478 39.873 1.605 1
1 677 . 10 1 1 A 70 70 ASN N N 70 125.005 126.159 -1.154 1
1 679 . 10 1 1 A 71 71 GLY H H 71 8.255 8.743 -0.488 1
1 680 . 10 1 1 A 71 71 GLY HA2 H 71 3.986 3.821 0.165 1
1 681 . 10 1 1 A 71 71 GLY C C 71 174.458 174.265 0.193 1
1 682 . 10 1 1 A 71 71 GLY CA C 71 46.110 47.184 -1.074 1
1 683 . 10 1 1 A 71 71 GLY N N 71 114.247 109.891 4.356 1
1 684 . 10 1 1 A 72 72 ASN H H 72 8.462 8.056 0.406 1
1 685 . 10 1 1 A 72 72 ASN HA H 72 4.796 4.643 0.153 1
1 689 . 10 1 1 A 72 72 ASN C C 72 175.757 174.531 1.226 1
1 690 . 10 1 1 A 72 72 ASN CA C 72 53.882 55.419 -1.537 1
1 691 . 10 1 1 A 72 72 ASN CB C 72 39.885 37.260 2.625 1
1 692 . 10 1 1 A 72 72 ASN N N 72 118.314 115.177 3.137 1
1 694 . 10 1 1 A 73 73 GLY H H 73 8.469 8.271 0.198 1
1 695 . 10 1 1 A 73 73 GLY HA2 H 73 3.968 4.243 -0.275 1
1 696 . 10 1 1 A 73 73 GLY C C 73 174.791 172.668 2.123 1
1 697 . 10 1 1 A 73 73 GLY CA C 73 46.247 45.961 0.286 1
1 698 . 10 1 1 A 73 73 GLY N N 73 109.019 107.891 1.128 1
1 699 . 10 1 1 A 74 74 GLY H H 74 7.946 8.756 -0.810 1
1 700 . 10 1 1 A 74 74 GLY HA2 H 74 4.112 4.100 0.012 1
1 701 . 10 1 1 A 74 74 GLY HA3 H 74 4.177 4.154 0.023 1
1 702 . 10 1 1 A 74 74 GLY C C 74 175.399 175.149 0.250 1
1 703 . 10 1 1 A 74 74 GLY CA C 74 45.825 44.379 1.446 1
1 704 . 10 1 1 A 74 74 GLY N N 74 108.672 113.281 -4.609 1
1 705 . 10 1 1 A 75 75 VAL H H 75 8.168 8.510 -0.342 1
1 706 . 10 1 1 A 75 75 VAL HA H 75 3.881 3.971 -0.090 1
1 714 . 10 1 1 A 75 75 VAL C C 75 176.466 177.196 -0.730 1
1 715 . 10 1 1 A 75 75 VAL CA C 75 64.845 63.767 1.078 1
1 716 . 10 1 1 A 75 75 VAL CB C 75 32.811 32.442 0.369 1
1 719 . 10 1 1 A 75 75 VAL N N 75 119.832 121.770 -1.938 1
1 720 . 10 1 1 A 76 76 PHE H H 76 8.138 7.700 0.438 1
1 721 . 10 1 1 A 76 76 PHE HA H 76 4.664 4.403 0.261 1
1 729 . 10 1 1 A 76 76 PHE C C 76 176.775 176.088 0.687 1
1 730 . 10 1 1 A 76 76 PHE CA C 76 58.810 60.243 -1.433 1
1 731 . 10 1 1 A 76 76 PHE CB C 76 39.177 39.947 -0.770 1
1 732 . 10 1 1 A 76 76 PHE N N 76 118.007 118.292 -0.285 1
1 733 . 10 1 1 A 77 77 GLY H H 77 8.080 7.921 0.159 1
1 734 . 10 1 1 A 77 77 GLY HA2 H 77 3.948 4.140 -0.192 1
1 735 . 10 1 1 A 77 77 GLY C C 77 175.581 175.397 0.184 1
1 736 . 10 1 1 A 77 77 GLY CA C 77 47.292 45.678 1.614 1
1 737 . 10 1 1 A 77 77 GLY N N 77 107.115 104.741 2.374 1
1 738 . 10 1 1 A 78 78 GLY H H 78 8.136 8.831 -0.695 1
1 739 . 10 1 1 A 78 78 GLY HA2 H 78 4.011 4.040 -0.029 1
1 740 . 10 1 1 A 78 78 GLY C C 78 175.337 174.963 0.374 1
1 741 . 10 1 1 A 78 78 GLY CA C 78 46.315 46.946 -0.631 1
1 742 . 10 1 1 A 78 78 GLY N N 78 108.462 106.304 2.158 1
1 743 . 10 1 1 A 79 79 LEU H H 79 7.641 7.968 -0.327 1
1 744 . 10 1 1 A 79 79 LEU HA H 79 4.022 4.352 -0.330 1
1 753 . 10 1 1 A 79 79 LEU C C 79 177.256 178.267 -1.011 1
1 754 . 10 1 1 A 79 79 LEU CA C 79 57.813 56.702 1.111 1
1 755 . 10 1 1 A 79 79 LEU CB C 79 43.316 42.518 0.798 1
1 759 . 10 1 1 A 79 79 LEU N N 79 121.664 121.442 0.222 1
1 760 . 10 1 1 A 80 80 PHE H H 80 7.944 7.805 0.139 1
1 761 . 10 1 1 A 80 80 PHE HA H 80 4.633 4.606 0.027 1
1 768 . 10 1 1 A 80 80 PHE C C 80 175.433 174.836 0.597 1
1 769 . 10 1 1 A 80 80 PHE CA C 80 58.208 57.279 0.929 1
1 770 . 10 1 1 A 80 80 PHE CB C 80 39.615 38.831 0.784 1
1 771 . 10 1 1 A 80 80 PHE N N 80 114.796 115.682 -0.886 1
1 772 . 10 1 1 A 81 81 ALA H H 81 7.611 7.654 -0.043 1
1 773 . 10 1 1 A 81 81 ALA HA H 81 4.364 4.562 -0.198 1
1 777 . 10 1 1 A 81 81 ALA C C 81 177.568 176.929 0.639 1
1 778 . 10 1 1 A 81 81 ALA CA C 81 52.989 50.543 2.446 1
1 779 . 10 1 1 A 81 81 ALA CB C 81 19.902 21.650 -1.748 1
1 780 . 10 1 1 A 81 81 ALA N N 81 122.618 122.968 -0.350 1
1 781 . 10 1 1 A 82 82 LYS H H 82 8.155 8.685 -0.530 1
1 782 . 10 1 1 A 82 82 LYS HA H 82 4.313 3.757 0.556 1
1 784 . 10 1 1 A 82 82 LYS C C 82 176.941 175.262 1.679 1
1 785 . 10 1 1 A 82 82 LYS CA C 82 57.023 56.995 0.028 1
1 786 . 10 1 1 A 82 82 LYS CB C 82 33.299 29.780 3.519 1
1 789 . 10 1 1 A 82 82 LYS N N 82 120.345 115.711 4.634 1
1 790 . 10 1 1 A 83 83 LYS H H 83 8.256 7.560 0.696 1
1 791 . 10 1 1 A 83 83 LYS HA H 83 4.378 4.311 0.067 1
1 794 . 10 1 1 A 83 83 LYS CA C 83 56.618 56.291 0.327 1
1 795 . 10 1 1 A 83 83 LYS CB C 83 33.767 32.947 0.820 1
1 799 . 10 1 1 A 83 83 LYS N N 83 122.901 116.257 6.644 1
1 6 . 11 1 1 A 2 2 ALA H H 2 8.448 8.464 -0.016 1
1 7 . 11 1 1 A 2 2 ALA HA H 2 4.314 4.013 0.301 1
1 11 . 11 1 1 A 2 2 ALA C C 2 177.731 176.344 1.387 1
1 12 . 11 1 1 A 2 2 ALA CA C 2 53.711 54.388 -0.677 1
1 13 . 11 1 1 A 2 2 ALA CB C 2 19.629 17.930 1.699 1
1 14 . 11 1 1 A 2 2 ALA N N 2 125.995 121.353 4.642 1
1 15 . 11 1 1 A 3 3 ALA H H 3 8.148 8.660 -0.512 1
1 16 . 11 1 1 A 3 3 ALA HA H 3 4.292 4.814 -0.522 1
1 20 . 11 1 1 A 3 3 ALA C C 3 177.888 175.272 2.616 1
1 21 . 11 1 1 A 3 3 ALA CA C 3 53.439 51.282 2.157 1
1 22 . 11 1 1 A 3 3 ALA CB C 3 19.671 23.631 -3.960 1
1 23 . 11 1 1 A 3 3 ALA N N 3 121.767 121.557 0.210 1
1 24 . 11 1 1 A 4 4 LYS H H 4 8.047 8.552 -0.505 1
1 25 . 11 1 1 A 4 4 LYS HA H 4 4.314 4.887 -0.573 1
1 27 . 11 1 1 A 4 4 LYS C C 4 177.363 175.636 1.727 1
1 28 . 11 1 1 A 4 4 LYS CA C 4 57.279 54.757 2.522 1
1 29 . 11 1 1 A 4 4 LYS CB C 4 33.570 35.304 -1.734 1
1 33 . 11 1 1 A 4 4 LYS N N 4 119.233 115.630 3.603 1
1 34 . 11 1 1 A 5 5 GLY H H 5 8.317 8.854 -0.537 1
1 35 . 11 1 1 A 5 5 GLY HA2 H 5 4.039 3.985 0.054 1
1 36 . 11 1 1 A 5 5 GLY C C 5 174.706 175.221 -0.515 1
1 37 . 11 1 1 A 5 5 GLY CA C 5 46.246 46.662 -0.416 1
1 38 . 11 1 1 A 5 5 GLY N N 5 109.070 111.491 -2.421 1
1 39 . 11 1 1 A 6 6 THR H H 6 8.002 8.004 -0.002 1
1 40 . 11 1 1 A 6 6 THR HA H 6 4.357 3.841 0.516 1
1 42 . 11 1 1 A 6 6 THR C C 6 174.839 176.491 -1.652 1
1 43 . 11 1 1 A 6 6 THR CA C 6 62.444 65.816 -3.372 1
1 44 . 11 1 1 A 6 6 THR CB C 6 70.490 68.752 1.738 1
1 46 . 11 1 1 A 6 6 THR N N 6 112.809 112.699 0.110 1
1 47 . 11 1 1 A 7 7 ALA H H 7 8.309 7.729 0.580 1
1 48 . 11 1 1 A 7 7 ALA HA H 7 4.322 4.360 -0.038 1
1 52 . 11 1 1 A 7 7 ALA C C 7 178.032 176.918 1.114 1
1 53 . 11 1 1 A 7 7 ALA CA C 7 53.792 54.045 -0.253 1
1 54 . 11 1 1 A 7 7 ALA CB C 7 19.733 19.391 0.342 1
1 55 . 11 1 1 A 7 7 ALA N N 7 125.292 123.892 1.400 1
1 56 . 11 1 1 A 8 8 GLU H H 8 8.358 7.569 0.789 1
1 57 . 11 1 1 A 8 8 GLU HA H 8 4.297 4.631 -0.334 1
1 59 . 11 1 1 A 8 8 GLU C C 8 176.936 174.283 2.653 1
1 60 . 11 1 1 A 8 8 GLU CA C 8 57.618 55.764 1.854 1
1 61 . 11 1 1 A 8 8 GLU CB C 8 30.792 32.541 -1.749 1
1 63 . 11 1 1 A 8 8 GLU N N 8 118.943 113.755 5.188 1
1 64 . 11 1 1 A 9 9 THR H H 9 7.974 8.406 -0.432 1
1 65 . 11 1 1 A 9 9 THR HA H 9 4.365 4.143 0.222 1
1 67 . 11 1 1 A 9 9 THR C C 9 174.629 174.730 -0.101 1
1 68 . 11 1 1 A 9 9 THR CA C 9 62.617 63.679 -1.062 1
1 69 . 11 1 1 A 9 9 THR CB C 9 70.422 68.881 1.541 1
1 71 . 11 1 1 A 9 9 THR N N 9 113.540 116.212 -2.672 1
1 72 . 11 1 1 A 10 10 LYS H H 10 8.242 8.884 -0.642 1
1 73 . 11 1 1 A 10 10 LYS HA H 10 4.314 3.974 0.340 1
1 75 . 11 1 1 A 10 10 LYS C C 10 176.513 175.259 1.254 1
1 76 . 11 1 1 A 10 10 LYS CA C 10 57.173 57.068 0.105 1
1 77 . 11 1 1 A 10 10 LYS CB C 10 33.511 31.402 2.109 1
1 81 . 11 1 1 A 10 10 LYS N N 10 123.339 124.011 -0.672 1
1 82 . 11 1 1 A 11 11 GLN H H 11 8.381 8.521 -0.140 1
1 83 . 11 1 1 A 11 11 GLN HA H 11 4.322 5.063 -0.741 1
1 89 . 11 1 1 A 11 11 GLN C C 11 176.073 174.072 2.001 1
1 90 . 11 1 1 A 11 11 GLN CA C 11 56.689 54.099 2.590 1
1 91 . 11 1 1 A 11 11 GLN CB C 11 29.940 32.490 -2.550 1
1 93 . 11 1 1 A 11 11 GLN N N 11 120.885 121.905 -1.020 1
1 95 . 11 1 1 A 12 12 GLU H H 12 8.407 8.880 -0.473 1
1 96 . 11 1 1 A 12 12 GLU HA H 12 4.304 4.848 -0.544 1
1 98 . 11 1 1 A 12 12 GLU C C 12 176.253 176.006 0.247 1
1 99 . 11 1 1 A 12 12 GLU CA C 12 57.536 54.983 2.553 1
1 100 . 11 1 1 A 12 12 GLU CB C 12 30.799 31.282 -0.483 1
1 102 . 11 1 1 A 12 12 GLU N N 12 121.152 123.795 -2.643 1
1 103 . 11 1 1 A 13 13 LYS H H 13 8.220 8.647 -0.427 1
1 104 . 11 1 1 A 13 13 LYS HA H 13 4.542 4.660 -0.118 1
1 108 . 11 1 1 A 13 13 LYS C C 13 175.856 176.655 -0.799 1
1 109 . 11 1 1 A 13 13 LYS CA C 13 56.335 55.588 0.747 1
1 110 . 11 1 1 A 13 13 LYS CB C 13 33.863 33.044 0.819 1
1 114 . 11 1 1 A 13 13 LYS N N 13 121.312 122.535 -1.223 1
1 115 . 11 1 1 A 14 14 SER H H 14 8.447 7.653 0.794 1
1 116 . 11 1 1 A 14 14 SER HA H 14 4.639 4.555 0.084 1
1 119 . 11 1 1 A 14 14 SER C C 14 175.529 176.238 -0.709 1
1 120 . 11 1 1 A 14 14 SER CA C 14 58.802 57.514 1.288 1
1 121 . 11 1 1 A 14 14 SER CB C 14 64.803 65.096 -0.293 1
1 122 . 11 1 1 A 14 14 SER N N 14 116.487 114.148 2.339 1
1 123 . 11 1 1 A 15 15 PHE H H 15 8.802 9.279 -0.477 1
1 124 . 11 1 1 A 15 15 PHE HA H 15 4.448 4.222 0.226 1
1 129 . 11 1 1 A 15 15 PHE C C 15 176.935 177.471 -0.536 1
1 130 . 11 1 1 A 15 15 PHE CA C 15 62.188 60.611 1.577 1
1 131 . 11 1 1 A 15 15 PHE CB C 15 39.721 38.237 1.484 1
1 132 . 11 1 1 A 15 15 PHE N N 15 124.339 119.892 4.447 1
1 133 . 11 1 1 A 16 16 VAL H H 16 8.025 7.226 0.799 1
1 134 . 11 1 1 A 16 16 VAL HA H 16 3.490 3.534 -0.044 1
1 142 . 11 1 1 A 16 16 VAL C C 16 177.123 177.191 -0.068 1
1 143 . 11 1 1 A 16 16 VAL CA C 16 67.959 64.584 3.375 1
1 144 . 11 1 1 A 16 16 VAL CB C 16 32.250 30.705 1.545 1
1 147 . 11 1 1 A 16 16 VAL N N 16 118.329 121.089 -2.760 1
1 148 . 11 1 1 A 17 17 ASP H H 17 7.926 8.137 -0.211 1
1 149 . 11 1 1 A 17 17 ASP HA H 17 4.354 4.285 0.069 1
1 152 . 11 1 1 A 17 17 ASP C C 17 179.625 178.252 1.373 1
1 153 . 11 1 1 A 17 17 ASP CA C 17 58.204 57.260 0.944 1
1 154 . 11 1 1 A 17 17 ASP CB C 17 41.324 41.218 0.106 1
1 155 . 11 1 1 A 17 17 ASP N N 17 118.753 121.105 -2.352 1
1 156 . 11 1 1 A 18 18 TRP H H 18 8.174 8.049 0.125 1
1 157 . 11 1 1 A 18 18 TRP HA H 18 4.111 4.337 -0.226 1
1 163 . 11 1 1 A 18 18 TRP CA C 18 62.194 60.992 1.202 1
1 164 . 11 1 1 A 18 18 TRP CB C 18 29.150 29.583 -0.433 1
1 165 . 11 1 1 A 18 18 TRP N N 18 122.311 121.551 0.760 1
1 167 . 11 1 1 A 19 19 LEU H H 19 8.517 8.291 0.226 1
1 168 . 11 1 1 A 19 19 LEU HA H 19 3.447 4.035 -0.588 1
1 178 . 11 1 1 A 19 19 LEU C C 19 179.115 179.146 -0.031 1
1 179 . 11 1 1 A 19 19 LEU CA C 19 58.630 58.176 0.454 1
1 180 . 11 1 1 A 19 19 LEU CB C 19 42.676 41.823 0.853 1
1 184 . 11 1 1 A 19 19 LEU N N 19 120.943 121.071 -0.128 1
1 185 . 11 1 1 A 20 20 LEU H H 20 8.713 8.535 0.178 1
1 186 . 11 1 1 A 20 20 LEU HA H 20 3.972 4.019 -0.047 1
1 196 . 11 1 1 A 20 20 LEU C C 20 180.266 178.528 1.738 1
1 197 . 11 1 1 A 20 20 LEU CA C 20 58.318 57.716 0.602 1
1 198 . 11 1 1 A 20 20 LEU CB C 20 41.655 41.362 0.293 1
1 202 . 11 1 1 A 20 20 LEU N N 20 117.598 119.651 -2.053 1
1 203 . 11 1 1 A 21 21 GLY H H 21 7.783 7.853 -0.070 1
1 204 . 11 1 1 A 21 21 GLY HA2 H 21 3.829 3.794 0.035 1
1 205 . 11 1 1 A 21 21 GLY C C 21 175.390 174.876 0.514 1
1 206 . 11 1 1 A 21 21 GLY CA C 21 46.978 46.578 0.400 1
1 207 . 11 1 1 A 21 21 GLY N N 21 106.102 106.789 -0.687 1
1 208 . 11 1 1 A 22 22 LYS H H 22 7.443 7.450 -0.007 1
1 209 . 11 1 1 A 22 22 LYS HA H 22 4.090 4.126 -0.036 1
1 217 . 11 1 1 A 22 22 LYS C C 22 177.806 177.203 0.603 1
1 218 . 11 1 1 A 22 22 LYS CA C 22 56.974 56.790 0.184 1
1 219 . 11 1 1 A 22 22 LYS CB C 22 32.718 32.965 -0.247 1
1 223 . 11 1 1 A 22 22 LYS N N 22 118.883 119.624 -0.741 1
1 224 . 11 1 1 A 23 23 ILE H H 23 7.550 7.768 -0.218 1
1 225 . 11 1 1 A 23 23 ILE HA H 23 4.165 4.216 -0.051 1
1 235 . 11 1 1 A 23 23 ILE C C 23 175.996 176.550 -0.554 1
1 236 . 11 1 1 A 23 23 ILE CA C 23 62.916 61.282 1.634 1
1 237 . 11 1 1 A 23 23 ILE CB C 23 39.444 38.827 0.617 1
1 241 . 11 1 1 A 23 23 ILE N N 23 114.457 116.919 -2.462 1
1 242 . 11 1 1 A 24 24 THR H H 24 7.778 8.212 -0.434 1
1 243 . 11 1 1 A 24 24 THR HA H 24 4.379 3.905 0.474 1
1 248 . 11 1 1 A 24 24 THR C C 24 174.616 173.614 1.002 1
1 249 . 11 1 1 A 24 24 THR CA C 24 62.699 65.970 -3.271 1
1 250 . 11 1 1 A 24 24 THR CB C 24 70.567 66.996 3.571 1
1 252 . 11 1 1 A 24 24 THR N N 24 113.224 113.502 -0.278 1
1 253 . 11 1 1 A 25 25 LYS H H 25 7.956 8.094 -0.138 1
1 259 . 11 1 1 A 25 25 LYS CA C 25 56.696 54.341 2.355 1
1 260 . 11 1 1 A 25 25 LYS CB C 25 33.428 34.456 -1.028 1
1 262 . 11 1 1 A 25 25 LYS N N 25 122.468 116.221 6.247 1
1 263 . 11 1 1 A 26 26 GLU H H 26 8.392 8.742 -0.350 1
1 264 . 11 1 1 A 26 26 GLU HA H 26 4.230 4.524 -0.294 1
1 268 . 11 1 1 A 26 26 GLU C C 26 176.320 176.002 0.318 1
1 269 . 11 1 1 A 26 26 GLU CA C 26 57.616 56.921 0.695 1
1 270 . 11 1 1 A 26 26 GLU CB C 26 30.854 31.036 -0.182 1
1 272 . 11 1 1 A 26 26 GLU N N 26 121.068 118.547 2.521 1
1 273 . 11 1 1 A 27 27 ASP H H 27 8.299 7.787 0.512 1
1 274 . 11 1 1 A 27 27 ASP HA H 27 4.496 4.759 -0.263 1
1 276 . 11 1 1 A 27 27 ASP C C 27 175.931 175.269 0.662 1
1 277 . 11 1 1 A 27 27 ASP CA C 27 55.161 53.742 1.419 1
1 278 . 11 1 1 A 27 27 ASP CB C 27 41.532 41.526 0.006 1
1 279 . 11 1 1 A 27 27 ASP N N 27 119.412 119.181 0.231 1
1 280 . 11 1 1 A 28 28 GLN H H 28 8.108 8.743 -0.635 1
1 281 . 11 1 1 A 28 28 GLN HA H 28 4.215 3.898 0.317 1
1 286 . 11 1 1 A 28 28 GLN C C 28 175.845 175.389 0.456 1
1 287 . 11 1 1 A 28 28 GLN CA C 28 56.559 57.905 -1.346 1
1 288 . 11 1 1 A 28 28 GLN CB C 28 30.105 27.408 2.697 1
1 290 . 11 1 1 A 28 28 GLN N N 28 119.037 126.272 -7.235 1
1 292 . 11 1 1 A 29 29 PHE H H 29 8.235 8.043 0.192 1
1 293 . 11 1 1 A 29 29 PHE HA H 29 4.514 4.868 -0.354 1
1 299 . 11 1 1 A 29 29 PHE C C 29 175.361 175.350 0.011 1
1 300 . 11 1 1 A 29 29 PHE CA C 29 58.810 56.608 2.202 1
1 301 . 11 1 1 A 29 29 PHE CB C 29 40.000 39.626 0.374 1
1 302 . 11 1 1 A 29 29 PHE N N 29 120.622 117.266 3.356 1
1 303 . 11 1 1 A 30 30 TYR H H 30 7.715 7.574 0.141 1
1 304 . 11 1 1 A 30 30 TYR HA H 30 4.508 5.010 -0.502 1
1 310 . 11 1 1 A 30 30 TYR C C 30 175.416 175.330 0.086 1
1 311 . 11 1 1 A 30 30 TYR CA C 30 58.544 55.999 2.545 1
1 312 . 11 1 1 A 30 30 TYR CB C 30 39.613 41.247 -1.634 1
1 313 . 11 1 1 A 30 30 TYR N N 30 119.864 118.593 1.271 1
1 314 . 11 1 1 A 31 31 GLU H H 31 8.187 8.600 -0.413 1
1 315 . 11 1 1 A 31 31 GLU HA H 31 4.293 4.627 -0.334 1
1 319 . 11 1 1 A 31 31 GLU C C 31 176.148 176.463 -0.315 1
1 320 . 11 1 1 A 31 31 GLU CA C 31 57.172 55.245 1.927 1
1 321 . 11 1 1 A 31 31 GLU CB C 31 30.845 30.060 0.785 1
1 323 . 11 1 1 A 31 31 GLU N N 31 121.546 118.203 3.343 1
1 324 . 11 1 1 A 32 32 THR H H 32 7.864 8.368 -0.504 1
1 325 . 11 1 1 A 32 32 THR HA H 32 4.359 3.997 0.362 1
1 330 . 11 1 1 A 32 32 THR C C 32 173.970 173.589 0.381 1
1 331 . 11 1 1 A 32 32 THR CA C 32 62.043 63.138 -1.095 1
1 332 . 11 1 1 A 32 32 THR CB C 32 70.721 66.454 4.267 1
1 334 . 11 1 1 A 32 32 THR N N 32 113.695 110.359 3.336 1
1 335 . 11 1 1 A 33 33 ASP H H 33 8.317 8.588 -0.271 1
1 336 . 11 1 1 A 33 33 ASP HA H 33 4.880 4.338 0.542 1
1 339 . 11 1 1 A 33 33 ASP CA C 33 53.661 54.790 -1.129 1
1 340 . 11 1 1 A 33 33 ASP CB C 33 41.474 39.460 2.014 1
1 341 . 11 1 1 A 33 33 ASP N N 33 123.601 113.170 10.431 1
1 342 . 11 1 1 A 34 34 PRO HA H 34 4.408 4.768 -0.360 1
1 348 . 11 1 1 A 34 34 PRO C C 34 174.420 176.370 -1.950 1
1 349 . 11 1 1 A 34 34 PRO CA C 34 64.164 62.682 1.482 1
1 350 . 11 1 1 A 34 34 PRO CB C 34 32.774 31.658 1.116 1
1 353 . 11 1 1 A 35 35 ILE H H 35 8.143 8.267 -0.124 1
1 354 . 11 1 1 A 35 35 ILE HA H 35 4.046 5.026 -0.980 1
1 364 . 11 1 1 A 35 35 ILE C C 35 176.474 174.679 1.795 1
1 365 . 11 1 1 A 35 35 ILE CA C 35 62.937 58.764 4.173 1
1 366 . 11 1 1 A 35 35 ILE CB C 35 39.275 42.043 -2.768 1
1 370 . 11 1 1 A 35 35 ILE N N 35 120.322 117.306 3.016 1
1 371 . 11 1 1 A 36 36 LEU H H 36 7.975 8.742 -0.767 1
1 372 . 11 1 1 A 36 36 LEU HA H 36 4.398 4.746 -0.348 1
1 381 . 11 1 1 A 36 36 LEU C C 36 177.299 176.843 0.456 1
1 382 . 11 1 1 A 36 36 LEU CA C 36 56.022 54.352 1.670 1
1 383 . 11 1 1 A 36 36 LEU CB C 36 42.837 43.326 -0.489 1
1 387 . 11 1 1 A 36 36 LEU N N 36 121.023 125.015 -3.992 1
1 388 . 11 1 1 A 37 37 ARG H H 37 7.932 7.919 0.013 1
1 389 . 11 1 1 A 37 37 ARG HA H 37 4.345 4.272 0.073 1
1 395 . 11 1 1 A 37 37 ARG C C 37 176.869 177.274 -0.405 1
1 396 . 11 1 1 A 37 37 ARG CA C 37 56.912 57.513 -0.601 1
1 397 . 11 1 1 A 37 37 ARG CB C 37 31.127 31.120 0.007 1
1 400 . 11 1 1 A 37 37 ARG N N 37 118.673 118.711 -0.038 1
1 402 . 11 1 1 A 38 38 GLY H H 38 8.271 7.947 0.324 1
1 403 . 11 1 1 A 38 38 GLY HA2 H 38 3.986 3.995 -0.009 1
1 404 . 11 1 1 A 38 38 GLY C C 38 174.864 175.696 -0.832 1
1 405 . 11 1 1 A 38 38 GLY CA C 38 46.258 45.347 0.911 1
1 406 . 11 1 1 A 38 38 GLY N N 38 108.377 108.178 0.199 1
1 407 . 11 1 1 A 39 39 GLY H H 39 8.218 8.042 0.176 1
1 408 . 11 1 1 A 39 39 GLY HA2 H 39 3.998 3.762 0.236 1
1 409 . 11 1 1 A 39 39 GLY C C 39 174.158 174.210 -0.052 1
1 410 . 11 1 1 A 39 39 GLY CA C 39 46.187 47.099 -0.912 1
1 411 . 11 1 1 A 39 39 GLY N N 39 108.485 109.023 -0.538 1
1 412 . 11 1 1 A 40 40 ASP H H 40 8.274 7.866 0.408 1
1 413 . 11 1 1 A 40 40 ASP HA H 40 4.699 4.278 0.421 1
1 415 . 11 1 1 A 40 40 ASP C C 40 176.791 175.988 0.803 1
1 416 . 11 1 1 A 40 40 ASP CA C 40 55.105 54.843 0.262 1
1 417 . 11 1 1 A 40 40 ASP CB C 40 41.715 39.058 2.657 1
1 418 . 11 1 1 A 40 40 ASP N N 40 120.261 114.588 5.673 1
1 419 . 11 1 1 A 41 41 VAL H H 41 8.071 7.849 0.222 1
1 420 . 11 1 1 A 41 41 VAL HA H 41 3.993 3.905 0.088 1
1 425 . 11 1 1 A 41 41 VAL C C 41 176.869 175.571 1.298 1
1 426 . 11 1 1 A 41 41 VAL CA C 41 64.502 64.840 -0.338 1
1 427 . 11 1 1 A 41 41 VAL CB C 41 32.773 32.438 0.335 1
1 429 . 11 1 1 A 41 41 VAL N N 41 120.111 119.970 0.141 1
1 430 . 11 1 1 A 42 42 LYS H H 42 8.213 7.954 0.259 1
1 431 . 11 1 1 A 42 42 LYS HA H 42 4.299 4.213 0.086 1
1 434 . 11 1 1 A 42 42 LYS C C 42 177.041 175.723 1.318 1
1 435 . 11 1 1 A 42 42 LYS CA C 42 57.639 58.409 -0.770 1
1 436 . 11 1 1 A 42 42 LYS CB C 42 33.227 31.227 2.000 1
1 440 . 11 1 1 A 42 42 LYS N N 42 121.557 121.151 0.406 1
1 441 . 11 1 1 A 43 43 SER H H 43 8.126 8.924 -0.798 1
1 442 . 11 1 1 A 43 43 SER HA H 43 4.452 4.383 0.069 1
1 444 . 11 1 1 A 43 43 SER C C 43 175.085 173.751 1.334 1
1 445 . 11 1 1 A 43 43 SER CA C 43 59.403 58.728 0.675 1
1 446 . 11 1 1 A 43 43 SER CB C 43 64.208 62.583 1.625 1
1 447 . 11 1 1 A 43 43 SER N N 43 115.295 117.185 -1.890 1
1 448 . 11 1 1 A 44 44 SER H H 44 8.251 8.488 -0.237 1
1 449 . 11 1 1 A 44 44 SER HA H 44 4.479 4.651 -0.172 1
1 451 . 11 1 1 A 44 44 SER C C 44 175.331 174.413 0.918 1
1 452 . 11 1 1 A 44 44 SER CA C 44 59.701 59.422 0.279 1
1 453 . 11 1 1 A 44 44 SER CB C 44 64.453 65.285 -0.832 1
1 454 . 11 1 1 A 44 44 SER N N 44 117.357 120.182 -2.825 1
1 455 . 11 1 1 A 45 45 GLY H H 45 8.401 7.869 0.532 1
1 456 . 11 1 1 A 45 45 GLY HA2 H 45 4.030 4.024 0.006 1
1 457 . 11 1 1 A 45 45 GLY C C 45 174.472 171.865 2.607 1
1 458 . 11 1 1 A 45 45 GLY CA C 45 46.258 44.754 1.504 1
1 459 . 11 1 1 A 45 45 GLY N N 45 110.523 108.376 2.147 1
1 460 . 11 1 1 A 46 46 SER H H 46 8.177 8.530 -0.353 1
1 461 . 11 1 1 A 46 46 SER HA H 46 4.536 5.109 -0.573 1
1 463 . 11 1 1 A 46 46 SER C C 46 175.206 172.039 3.167 1
1 464 . 11 1 1 A 46 46 SER CA C 46 59.244 57.416 1.828 1
1 465 . 11 1 1 A 46 46 SER CB C 46 64.484 65.581 -1.097 1
1 466 . 11 1 1 A 46 46 SER N N 46 115.297 115.734 -0.437 1
1 467 . 11 1 1 A 47 47 THR H H 47 8.198 8.748 -0.550 1
1 468 . 11 1 1 A 47 47 THR HA H 47 4.432 4.801 -0.369 1
1 470 . 11 1 1 A 47 47 THR C C 47 174.939 172.079 2.860 1
1 471 . 11 1 1 A 47 47 THR CA C 47 62.746 61.046 1.700 1
1 472 . 11 1 1 A 47 47 THR CB C 47 70.246 70.525 -0.279 1
1 474 . 11 1 1 A 47 47 THR N N 47 114.635 118.688 -4.053 1
1 475 . 11 1 1 A 48 48 SER H H 48 8.228 8.620 -0.392 1
1 476 . 11 1 1 A 48 48 SER HA H 48 4.473 4.962 -0.489 1
1 478 . 11 1 1 A 48 48 SER C C 48 175.241 173.072 2.169 1
1 479 . 11 1 1 A 48 48 SER CA C 48 59.480 57.295 2.185 1
1 480 . 11 1 1 A 48 48 SER CB C 48 64.429 66.101 -1.672 1
1 481 . 11 1 1 A 48 48 SER N N 48 117.146 117.889 -0.743 1
1 482 . 11 1 1 A 49 49 GLY H H 49 8.342 8.403 -0.061 1
1 483 . 11 1 1 A 49 49 GLY HA2 H 49 4.048 4.238 -0.190 1
1 484 . 11 1 1 A 49 49 GLY C C 49 174.776 173.799 0.977 1
1 485 . 11 1 1 A 49 49 GLY CA C 49 46.233 45.898 0.335 1
1 486 . 11 1 1 A 49 49 GLY N N 49 110.627 107.125 3.502 1
1 487 . 11 1 1 A 50 50 LYS H H 50 8.124 8.730 -0.606 1
1 488 . 11 1 1 A 50 50 LYS HA H 50 4.302 4.468 -0.166 1
1 490 . 11 1 1 A 50 50 LYS C C 50 176.932 176.006 0.926 1
1 491 . 11 1 1 A 50 50 LYS CA C 50 57.333 57.593 -0.260 1
1 492 . 11 1 1 A 50 50 LYS CB C 50 33.497 34.613 -1.116 1
1 496 . 11 1 1 A 50 50 LYS N N 50 120.037 120.854 -0.817 1
1 497 . 11 1 1 A 51 51 LYS H H 51 8.089 7.906 0.183 1
1 498 . 11 1 1 A 51 51 LYS HA H 51 4.325 3.934 0.391 1
1 500 . 11 1 1 A 51 51 LYS C C 51 177.169 175.428 1.741 1
1 501 . 11 1 1 A 51 51 LYS CA C 51 57.251 56.940 0.311 1
1 502 . 11 1 1 A 51 51 LYS CB C 51 33.293 30.546 2.747 1
1 506 . 11 1 1 A 51 51 LYS N N 51 120.805 117.661 3.144 1
1 507 . 11 1 1 A 52 52 GLY H H 52 8.304 8.331 -0.027 1
1 508 . 11 1 1 A 52 52 GLY HA2 H 52 4.005 4.111 -0.106 1
1 509 . 11 1 1 A 52 52 GLY C C 52 174.545 172.915 1.630 1
1 510 . 11 1 1 A 52 52 GLY CA C 52 46.250 45.349 0.901 1
1 511 . 11 1 1 A 52 52 GLY N N 52 109.109 109.445 -0.336 1
1 512 . 11 1 1 A 53 53 GLY H H 53 8.201 9.060 -0.859 1
1 513 . 11 1 1 A 53 53 GLY HA2 H 53 4.051 3.988 0.063 1
1 514 . 11 1 1 A 53 53 GLY C C 53 174.771 172.913 1.858 1
1 515 . 11 1 1 A 53 53 GLY CA C 53 46.204 46.804 -0.600 1
1 516 . 11 1 1 A 53 53 GLY N N 53 108.474 112.559 -4.085 1
1 517 . 11 1 1 A 54 54 THR H H 54 8.115 7.933 0.182 1
1 518 . 11 1 1 A 54 54 THR HA H 54 4.442 5.060 -0.618 1
1 522 . 11 1 1 A 54 54 THR C C 54 175.190 172.619 2.571 1
1 523 . 11 1 1 A 54 54 THR CA C 54 62.904 59.708 3.196 1
1 524 . 11 1 1 A 54 54 THR CB C 54 70.261 70.876 -0.615 1
1 525 . 11 1 1 A 54 54 THR N N 54 113.386 117.237 -3.851 1
1 526 . 11 1 1 A 55 55 THR H H 55 8.158 8.517 -0.359 1
1 527 . 11 1 1 A 55 55 THR HA H 55 4.452 4.485 -0.033 1
1 531 . 11 1 1 A 55 55 THR C C 55 175.050 174.693 0.357 1
1 532 . 11 1 1 A 55 55 THR CA C 55 62.740 62.197 0.543 1
1 533 . 11 1 1 A 55 55 THR CB C 55 70.171 69.935 0.236 1
1 535 . 11 1 1 A 55 55 THR N N 55 114.825 118.363 -3.538 1
1 536 . 11 1 1 A 56 56 SER H H 56 8.233 8.005 0.228 1
1 537 . 11 1 1 A 56 56 SER HA H 56 4.484 4.321 0.163 1
1 539 . 11 1 1 A 56 56 SER C C 56 175.314 175.098 0.216 1
1 540 . 11 1 1 A 56 56 SER CA C 56 59.419 58.958 0.461 1
1 541 . 11 1 1 A 56 56 SER CB C 56 64.576 63.750 0.826 1
1 542 . 11 1 1 A 56 56 SER N N 56 117.144 117.433 -0.289 1
1 543 . 11 1 1 A 57 57 GLY H H 57 8.340 8.832 -0.492 1
1 544 . 11 1 1 A 57 57 GLY HA2 H 57 4.043 4.005 0.038 1
1 545 . 11 1 1 A 57 57 GLY C C 57 176.801 174.714 2.087 1
1 546 . 11 1 1 A 57 57 GLY CA C 57 45.927 45.747 0.180 1
1 547 . 11 1 1 A 57 57 GLY N N 57 110.613 115.473 -4.860 1
1 548 . 11 1 1 A 58 58 LYS H H 58 8.125 7.813 0.312 1
1 549 . 11 1 1 A 58 58 LYS HA H 58 4.313 4.409 -0.096 1
1 554 . 11 1 1 A 58 58 LYS C C 58 176.220 177.143 -0.923 1
1 555 . 11 1 1 A 58 58 LYS CA C 58 57.524 56.660 0.864 1
1 556 . 11 1 1 A 58 58 LYS CB C 58 33.485 34.322 -0.837 1
1 560 . 11 1 1 A 58 58 LYS N N 58 120.526 117.987 2.539 1
1 561 . 11 1 1 A 59 59 LYS H H 59 8.227 7.947 0.280 1
1 562 . 11 1 1 A 59 59 LYS HA H 59 4.202 3.984 0.218 1
1 567 . 11 1 1 A 59 59 LYS C C 59 177.075 176.617 0.458 1
1 568 . 11 1 1 A 59 59 LYS CA C 59 58.240 57.483 0.757 1
1 569 . 11 1 1 A 59 59 LYS CB C 59 33.354 28.780 4.574 1
1 573 . 11 1 1 A 59 59 LYS N N 59 121.098 114.955 6.143 1
1 574 . 11 1 1 A 60 60 GLY H H 60 8.337 8.006 0.331 1
1 575 . 11 1 1 A 60 60 GLY HA2 H 60 4.047 3.948 0.099 1
1 576 . 11 1 1 A 60 60 GLY C C 60 174.631 174.949 -0.318 1
1 577 . 11 1 1 A 60 60 GLY CA C 60 46.282 45.371 0.911 1
1 578 . 11 1 1 A 60 60 GLY N N 60 109.436 105.767 3.669 1
1 579 . 11 1 1 A 61 61 THR H H 61 7.947 7.885 0.062 1
1 580 . 11 1 1 A 61 61 THR HA H 61 4.396 4.614 -0.218 1
1 585 . 11 1 1 A 61 61 THR C C 61 174.470 175.659 -1.189 1
1 586 . 11 1 1 A 61 61 THR CA C 61 62.795 62.386 0.409 1
1 587 . 11 1 1 A 61 61 THR CB C 61 70.637 70.215 0.422 1
1 589 . 11 1 1 A 61 61 THR N N 61 112.095 111.435 0.660 1
1 590 . 11 1 1 A 62 62 VAL H H 62 7.788 8.101 -0.313 1
1 591 . 11 1 1 A 62 62 VAL HA H 62 4.243 4.398 -0.155 1
1 596 . 11 1 1 A 62 62 VAL CA C 62 62.733 63.471 -0.738 1
1 597 . 11 1 1 A 62 62 VAL CB C 62 33.693 33.641 0.052 1
1 599 . 11 1 1 A 62 62 VAL N N 62 120.973 121.378 -0.405 1
1 600 . 11 1 1 A 63 63 SER H H 63 8.052 7.577 0.475 1
1 601 . 11 1 1 A 63 63 SER HA H 63 4.665 4.595 0.070 1
1 604 . 11 1 1 A 63 63 SER CA C 63 57.747 58.001 -0.254 1
1 605 . 11 1 1 A 63 63 SER CB C 63 64.991 61.318 3.673 1
1 606 . 11 1 1 A 63 63 SER N N 63 119.427 115.111 4.316 1
1 607 . 11 1 1 A 64 64 ILE H H 64 8.191 7.488 0.703 1
1 608 . 11 1 1 A 64 64 ILE HA H 64 4.313 4.979 -0.666 1
1 617 . 11 1 1 A 64 64 ILE CA C 64 59.873 57.394 2.479 1
1 618 . 11 1 1 A 64 64 ILE CB C 64 38.818 40.436 -1.618 1
1 621 . 11 1 1 A 64 64 ILE N N 64 122.947 117.877 5.070 1
1 622 . 11 1 1 A 65 65 PRO HA H 65 4.466 4.689 -0.223 1
1 628 . 11 1 1 A 65 65 PRO CA C 65 64.303 62.147 2.156 1
1 629 . 11 1 1 A 65 65 PRO CB C 65 32.672 29.132 3.540 1
1 632 . 11 1 1 A 66 66 SER H H 66 8.002 8.661 -0.659 1
1 633 . 11 1 1 A 66 66 SER HA H 66 4.498 4.272 0.226 1
1 635 . 11 1 1 A 66 66 SER CA C 66 58.702 61.065 -2.363 1
1 636 . 11 1 1 A 66 66 SER CB C 66 64.819 63.772 1.047 1
1 637 . 11 1 1 A 66 66 SER N N 66 112.889 119.096 -6.207 1
1 638 . 11 1 1 A 67 67 LYS H H 67 8.137 7.934 0.203 1
1 639 . 11 1 1 A 67 67 LYS HA H 67 4.347 4.497 -0.150 1
1 641 . 11 1 1 A 67 67 LYS C C 67 176.555 176.888 -0.333 1
1 642 . 11 1 1 A 67 67 LYS CA C 67 57.061 55.941 1.120 1
1 643 . 11 1 1 A 67 67 LYS CB C 67 33.669 33.464 0.205 1
1 647 . 11 1 1 A 67 67 LYS N N 67 122.114 120.810 1.304 1
1 648 . 11 1 1 A 68 68 LYS H H 68 8.118 8.065 0.053 1
1 649 . 11 1 1 A 68 68 LYS HA H 68 4.322 3.973 0.349 1
1 651 . 11 1 1 A 68 68 LYS C C 68 176.446 176.896 -0.450 1
1 652 . 11 1 1 A 68 68 LYS CA C 68 57.043 59.579 -2.536 1
1 653 . 11 1 1 A 68 68 LYS CB C 68 33.531 32.360 1.171 1
1 657 . 11 1 1 A 68 68 LYS N N 68 121.435 121.540 -0.105 1
1 658 . 11 1 1 A 69 69 LYS H H 69 8.394 8.012 0.382 1
1 659 . 11 1 1 A 69 69 LYS HA H 69 4.351 3.971 0.380 1
1 663 . 11 1 1 A 69 69 LYS C C 69 175.623 176.111 -0.488 1
1 664 . 11 1 1 A 69 69 LYS CA C 69 56.762 58.468 -1.706 1
1 665 . 11 1 1 A 69 69 LYS CB C 69 33.782 31.562 2.220 1
1 669 . 11 1 1 A 69 69 LYS N N 69 121.052 117.438 3.614 1
1 670 . 11 1 1 A 70 70 ASN H H 70 8.014 8.675 -0.661 1
1 671 . 11 1 1 A 70 70 ASN HA H 70 4.515 4.429 0.086 1
1 675 . 11 1 1 A 70 70 ASN CA C 70 55.331 53.785 1.546 1
1 676 . 11 1 1 A 70 70 ASN CB C 70 41.478 37.198 4.280 1
1 677 . 11 1 1 A 70 70 ASN N N 70 125.005 115.863 9.142 1
1 679 . 11 1 1 A 71 71 GLY H H 71 8.255 8.594 -0.339 1
1 680 . 11 1 1 A 71 71 GLY HA2 H 71 3.986 4.378 -0.392 1
1 681 . 11 1 1 A 71 71 GLY C C 71 174.458 172.360 2.098 1
1 682 . 11 1 1 A 71 71 GLY CA C 71 46.110 44.591 1.519 1
1 683 . 11 1 1 A 71 71 GLY N N 71 114.247 110.557 3.690 1
1 684 . 11 1 1 A 72 72 ASN H H 72 8.462 8.723 -0.261 1
1 685 . 11 1 1 A 72 72 ASN HA H 72 4.796 5.323 -0.527 1
1 689 . 11 1 1 A 72 72 ASN C C 72 175.757 173.922 1.835 1
1 690 . 11 1 1 A 72 72 ASN CA C 72 53.882 52.551 1.331 1
1 691 . 11 1 1 A 72 72 ASN CB C 72 39.885 42.524 -2.639 1
1 692 . 11 1 1 A 72 72 ASN N N 72 118.314 117.729 0.585 1
1 694 . 11 1 1 A 73 73 GLY H H 73 8.469 8.415 0.054 1
1 695 . 11 1 1 A 73 73 GLY HA2 H 73 3.968 4.126 -0.158 1
1 696 . 11 1 1 A 73 73 GLY C C 73 174.791 173.059 1.732 1
1 697 . 11 1 1 A 73 73 GLY CA C 73 46.247 44.784 1.463 1
1 698 . 11 1 1 A 73 73 GLY N N 73 109.019 109.270 -0.251 1
1 699 . 11 1 1 A 74 74 GLY H H 74 7.946 8.630 -0.684 1
1 700 . 11 1 1 A 74 74 GLY HA2 H 74 4.112 4.058 0.054 1
1 701 . 11 1 1 A 74 74 GLY HA3 H 74 4.177 4.062 0.115 1
1 702 . 11 1 1 A 74 74 GLY C C 74 175.399 175.011 0.388 1
1 703 . 11 1 1 A 74 74 GLY CA C 74 45.825 44.502 1.323 1
1 704 . 11 1 1 A 74 74 GLY N N 74 108.672 108.522 0.150 1
1 705 . 11 1 1 A 75 75 VAL H H 75 8.168 8.213 -0.045 1
1 706 . 11 1 1 A 75 75 VAL HA H 75 3.881 4.042 -0.161 1
1 714 . 11 1 1 A 75 75 VAL C C 75 176.466 176.381 0.085 1
1 715 . 11 1 1 A 75 75 VAL CA C 75 64.845 61.980 2.865 1
1 716 . 11 1 1 A 75 75 VAL CB C 75 32.811 32.467 0.344 1
1 719 . 11 1 1 A 75 75 VAL N N 75 119.832 117.292 2.540 1
1 720 . 11 1 1 A 76 76 PHE H H 76 8.138 7.609 0.529 1
1 721 . 11 1 1 A 76 76 PHE HA H 76 4.664 4.648 0.016 1
1 729 . 11 1 1 A 76 76 PHE C C 76 176.775 176.453 0.322 1
1 730 . 11 1 1 A 76 76 PHE CA C 76 58.810 59.276 -0.466 1
1 731 . 11 1 1 A 76 76 PHE CB C 76 39.177 40.947 -1.770 1
1 732 . 11 1 1 A 76 76 PHE N N 76 118.007 118.499 -0.492 1
1 733 . 11 1 1 A 77 77 GLY H H 77 8.080 8.626 -0.546 1
1 734 . 11 1 1 A 77 77 GLY HA2 H 77 3.948 3.954 -0.006 1
1 735 . 11 1 1 A 77 77 GLY C C 77 175.581 175.515 0.066 1
1 736 . 11 1 1 A 77 77 GLY CA C 77 47.292 46.108 1.184 1
1 737 . 11 1 1 A 77 77 GLY N N 77 107.115 106.888 0.227 1
1 738 . 11 1 1 A 78 78 GLY H H 78 8.136 8.703 -0.567 1
1 739 . 11 1 1 A 78 78 GLY HA2 H 78 4.011 3.939 0.072 1
1 740 . 11 1 1 A 78 78 GLY C C 78 175.337 174.982 0.355 1
1 741 . 11 1 1 A 78 78 GLY CA C 78 46.315 45.210 1.105 1
1 742 . 11 1 1 A 78 78 GLY N N 78 108.462 106.979 1.483 1
1 743 . 11 1 1 A 79 79 LEU H H 79 7.641 7.847 -0.206 1
1 744 . 11 1 1 A 79 79 LEU HA H 79 4.022 4.129 -0.107 1
1 753 . 11 1 1 A 79 79 LEU C C 79 177.256 178.087 -0.831 1
1 754 . 11 1 1 A 79 79 LEU CA C 79 57.813 57.321 0.492 1
1 755 . 11 1 1 A 79 79 LEU CB C 79 43.316 41.767 1.549 1
1 759 . 11 1 1 A 79 79 LEU N N 79 121.664 122.398 -0.734 1
1 760 . 11 1 1 A 80 80 PHE H H 80 7.944 7.750 0.194 1
1 761 . 11 1 1 A 80 80 PHE HA H 80 4.633 4.700 -0.067 1
1 768 . 11 1 1 A 80 80 PHE C C 80 175.433 175.463 -0.030 1
1 769 . 11 1 1 A 80 80 PHE CA C 80 58.208 57.104 1.104 1
1 770 . 11 1 1 A 80 80 PHE CB C 80 39.615 41.097 -1.482 1
1 771 . 11 1 1 A 80 80 PHE N N 80 114.796 113.523 1.273 1
1 772 . 11 1 1 A 81 81 ALA H H 81 7.611 7.206 0.405 1
1 773 . 11 1 1 A 81 81 ALA HA H 81 4.364 3.756 0.608 1
1 777 . 11 1 1 A 81 81 ALA C C 81 177.568 176.131 1.437 1
1 778 . 11 1 1 A 81 81 ALA CA C 81 52.989 53.973 -0.984 1
1 779 . 11 1 1 A 81 81 ALA CB C 81 19.902 17.726 2.176 1
1 780 . 11 1 1 A 81 81 ALA N N 81 122.618 120.531 2.087 1
1 781 . 11 1 1 A 82 82 LYS H H 82 8.155 8.394 -0.239 1
1 782 . 11 1 1 A 82 82 LYS HA H 82 4.313 4.815 -0.502 1
1 784 . 11 1 1 A 82 82 LYS C C 82 176.941 175.543 1.398 1
1 785 . 11 1 1 A 82 82 LYS CA C 82 57.023 54.802 2.221 1
1 786 . 11 1 1 A 82 82 LYS CB C 82 33.299 34.884 -1.585 1
1 789 . 11 1 1 A 82 82 LYS N N 82 120.345 121.569 -1.224 1
1 790 . 11 1 1 A 83 83 LYS H H 83 8.256 8.958 -0.702 1
1 791 . 11 1 1 A 83 83 LYS HA H 83 4.378 3.861 0.517 1
1 794 . 11 1 1 A 83 83 LYS CA C 83 56.618 56.978 -0.360 1
1 795 . 11 1 1 A 83 83 LYS CB C 83 33.767 31.037 2.730 1
1 799 . 11 1 1 A 83 83 LYS N N 83 122.901 125.491 -2.590 1
1 6 . 12 1 1 A 2 2 ALA H H 2 8.448 8.849 -0.401 1
1 7 . 12 1 1 A 2 2 ALA HA H 2 4.314 4.512 -0.198 1
1 11 . 12 1 1 A 2 2 ALA C C 2 177.731 176.937 0.794 1
1 12 . 12 1 1 A 2 2 ALA CA C 2 53.711 53.469 0.242 1
1 13 . 12 1 1 A 2 2 ALA CB C 2 19.629 20.622 -0.993 1
1 14 . 12 1 1 A 2 2 ALA N N 2 125.995 125.699 0.296 1
1 15 . 12 1 1 A 3 3 ALA H H 3 8.148 7.649 0.499 1
1 16 . 12 1 1 A 3 3 ALA HA H 3 4.292 4.644 -0.352 1
1 20 . 12 1 1 A 3 3 ALA C C 3 177.888 175.150 2.738 1
1 21 . 12 1 1 A 3 3 ALA CA C 3 53.439 51.571 1.868 1
1 22 . 12 1 1 A 3 3 ALA CB C 3 19.671 22.959 -3.288 1
1 23 . 12 1 1 A 3 3 ALA N N 3 121.767 116.741 5.026 1
1 24 . 12 1 1 A 4 4 LYS H H 4 8.047 8.571 -0.524 1
1 25 . 12 1 1 A 4 4 LYS HA H 4 4.314 4.960 -0.646 1
1 27 . 12 1 1 A 4 4 LYS C C 4 177.363 176.634 0.729 1
1 28 . 12 1 1 A 4 4 LYS CA C 4 57.279 54.872 2.407 1
1 29 . 12 1 1 A 4 4 LYS CB C 4 33.570 35.666 -2.096 1
1 33 . 12 1 1 A 4 4 LYS N N 4 119.233 119.384 -0.151 1
1 34 . 12 1 1 A 5 5 GLY H H 5 8.317 8.689 -0.372 1
1 35 . 12 1 1 A 5 5 GLY HA2 H 5 4.039 3.877 0.162 1
1 36 . 12 1 1 A 5 5 GLY C C 5 174.706 174.524 0.182 1
1 37 . 12 1 1 A 5 5 GLY CA C 5 46.246 46.950 -0.704 1
1 38 . 12 1 1 A 5 5 GLY N N 5 109.070 111.598 -2.528 1
1 39 . 12 1 1 A 6 6 THR H H 6 8.002 8.444 -0.442 1
1 40 . 12 1 1 A 6 6 THR HA H 6 4.357 4.744 -0.387 1
1 42 . 12 1 1 A 6 6 THR C C 6 174.839 175.282 -0.443 1
1 43 . 12 1 1 A 6 6 THR CA C 6 62.444 60.400 2.044 1
1 44 . 12 1 1 A 6 6 THR CB C 6 70.490 68.732 1.758 1
1 46 . 12 1 1 A 6 6 THR N N 6 112.809 117.853 -5.044 1
1 47 . 12 1 1 A 7 7 ALA H H 7 8.309 7.713 0.596 1
1 48 . 12 1 1 A 7 7 ALA HA H 7 4.322 4.248 0.074 1
1 52 . 12 1 1 A 7 7 ALA C C 7 178.032 177.305 0.727 1
1 53 . 12 1 1 A 7 7 ALA CA C 7 53.792 54.198 -0.406 1
1 54 . 12 1 1 A 7 7 ALA CB C 7 19.733 19.882 -0.149 1
1 55 . 12 1 1 A 7 7 ALA N N 7 125.292 124.932 0.360 1
1 56 . 12 1 1 A 8 8 GLU H H 8 8.358 7.970 0.388 1
1 57 . 12 1 1 A 8 8 GLU HA H 8 4.297 3.823 0.474 1
1 59 . 12 1 1 A 8 8 GLU C C 8 176.936 174.978 1.958 1
1 60 . 12 1 1 A 8 8 GLU CA C 8 57.618 57.417 0.201 1
1 61 . 12 1 1 A 8 8 GLU CB C 8 30.792 27.140 3.652 1
1 63 . 12 1 1 A 8 8 GLU N N 8 118.943 114.205 4.738 1
1 64 . 12 1 1 A 9 9 THR H H 9 7.974 7.775 0.199 1
1 65 . 12 1 1 A 9 9 THR HA H 9 4.365 4.689 -0.324 1
1 67 . 12 1 1 A 9 9 THR C C 9 174.629 173.273 1.356 1
1 68 . 12 1 1 A 9 9 THR CA C 9 62.617 61.986 0.631 1
1 69 . 12 1 1 A 9 9 THR CB C 9 70.422 70.734 -0.312 1
1 71 . 12 1 1 A 9 9 THR N N 9 113.540 114.182 -0.642 1
1 72 . 12 1 1 A 10 10 LYS H H 10 8.242 9.137 -0.895 1
1 73 . 12 1 1 A 10 10 LYS HA H 10 4.314 4.540 -0.226 1
1 75 . 12 1 1 A 10 10 LYS C C 10 176.513 175.298 1.215 1
1 76 . 12 1 1 A 10 10 LYS CA C 10 57.173 55.023 2.150 1
1 77 . 12 1 1 A 10 10 LYS CB C 10 33.511 31.919 1.592 1
1 81 . 12 1 1 A 10 10 LYS N N 10 123.339 128.959 -5.620 1
1 82 . 12 1 1 A 11 11 GLN H H 11 8.381 7.469 0.912 1
1 83 . 12 1 1 A 11 11 GLN HA H 11 4.322 4.619 -0.297 1
1 89 . 12 1 1 A 11 11 GLN C C 11 176.073 176.291 -0.218 1
1 90 . 12 1 1 A 11 11 GLN CA C 11 56.689 53.924 2.765 1
1 91 . 12 1 1 A 11 11 GLN CB C 11 29.940 28.701 1.239 1
1 93 . 12 1 1 A 11 11 GLN N N 11 120.885 121.483 -0.598 1
1 95 . 12 1 1 A 12 12 GLU H H 12 8.407 8.583 -0.176 1
1 96 . 12 1 1 A 12 12 GLU HA H 12 4.304 4.297 0.007 1
1 98 . 12 1 1 A 12 12 GLU C C 12 176.253 176.607 -0.354 1
1 99 . 12 1 1 A 12 12 GLU CA C 12 57.536 58.655 -1.119 1
1 100 . 12 1 1 A 12 12 GLU CB C 12 30.799 30.546 0.253 1
1 102 . 12 1 1 A 12 12 GLU N N 12 121.152 122.175 -1.023 1
1 103 . 12 1 1 A 13 13 LYS H H 13 8.220 8.004 0.216 1
1 104 . 12 1 1 A 13 13 LYS HA H 13 4.542 3.956 0.586 1
1 108 . 12 1 1 A 13 13 LYS C C 13 175.856 175.197 0.659 1
1 109 . 12 1 1 A 13 13 LYS CA C 13 56.335 57.122 -0.787 1
1 110 . 12 1 1 A 13 13 LYS CB C 13 33.863 30.959 2.904 1
1 114 . 12 1 1 A 13 13 LYS N N 13 121.312 120.197 1.115 1
1 115 . 12 1 1 A 14 14 SER H H 14 8.447 8.218 0.229 1
1 116 . 12 1 1 A 14 14 SER HA H 14 4.639 4.994 -0.355 1
1 119 . 12 1 1 A 14 14 SER C C 14 175.529 175.247 0.282 1
1 120 . 12 1 1 A 14 14 SER CA C 14 58.802 57.474 1.328 1
1 121 . 12 1 1 A 14 14 SER CB C 14 64.803 66.978 -2.175 1
1 122 . 12 1 1 A 14 14 SER N N 14 116.487 120.218 -3.731 1
1 123 . 12 1 1 A 15 15 PHE H H 15 8.802 9.113 -0.311 1
1 124 . 12 1 1 A 15 15 PHE HA H 15 4.448 4.335 0.113 1
1 129 . 12 1 1 A 15 15 PHE C C 15 176.935 177.611 -0.676 1
1 130 . 12 1 1 A 15 15 PHE CA C 15 62.188 60.632 1.556 1
1 131 . 12 1 1 A 15 15 PHE CB C 15 39.721 38.163 1.558 1
1 132 . 12 1 1 A 15 15 PHE N N 15 124.339 121.755 2.584 1
1 133 . 12 1 1 A 16 16 VAL H H 16 8.025 7.383 0.642 1
1 134 . 12 1 1 A 16 16 VAL HA H 16 3.490 3.477 0.013 1
1 142 . 12 1 1 A 16 16 VAL C C 16 177.123 177.206 -0.083 1
1 143 . 12 1 1 A 16 16 VAL CA C 16 67.959 64.648 3.311 1
1 144 . 12 1 1 A 16 16 VAL CB C 16 32.250 30.696 1.554 1
1 147 . 12 1 1 A 16 16 VAL N N 16 118.329 120.982 -2.653 1
1 148 . 12 1 1 A 17 17 ASP H H 17 7.926 7.858 0.068 1
1 149 . 12 1 1 A 17 17 ASP HA H 17 4.354 4.312 0.042 1
1 152 . 12 1 1 A 17 17 ASP C C 17 179.625 178.235 1.390 1
1 153 . 12 1 1 A 17 17 ASP CA C 17 58.204 57.209 0.995 1
1 154 . 12 1 1 A 17 17 ASP CB C 17 41.324 41.237 0.087 1
1 155 . 12 1 1 A 17 17 ASP N N 17 118.753 120.915 -2.162 1
1 156 . 12 1 1 A 18 18 TRP H H 18 8.174 7.879 0.295 1
1 157 . 12 1 1 A 18 18 TRP HA H 18 4.111 4.360 -0.249 1
1 163 . 12 1 1 A 18 18 TRP CA C 18 62.194 60.750 1.444 1
1 164 . 12 1 1 A 18 18 TRP CB C 18 29.150 29.592 -0.442 1
1 165 . 12 1 1 A 18 18 TRP N N 18 122.311 121.579 0.732 1
1 167 . 12 1 1 A 19 19 LEU H H 19 8.517 8.773 -0.256 1
1 168 . 12 1 1 A 19 19 LEU HA H 19 3.447 3.679 -0.232 1
1 178 . 12 1 1 A 19 19 LEU C C 19 179.115 178.941 0.174 1
1 179 . 12 1 1 A 19 19 LEU CA C 19 58.630 58.228 0.402 1
1 180 . 12 1 1 A 19 19 LEU CB C 19 42.676 41.967 0.709 1
1 184 . 12 1 1 A 19 19 LEU N N 19 120.943 121.269 -0.326 1
1 185 . 12 1 1 A 20 20 LEU H H 20 8.713 8.560 0.153 1
1 186 . 12 1 1 A 20 20 LEU HA H 20 3.972 3.985 -0.013 1
1 196 . 12 1 1 A 20 20 LEU C C 20 180.266 178.827 1.439 1
1 197 . 12 1 1 A 20 20 LEU CA C 20 58.318 57.706 0.612 1
1 198 . 12 1 1 A 20 20 LEU CB C 20 41.655 41.662 -0.007 1
1 202 . 12 1 1 A 20 20 LEU N N 20 117.598 119.360 -1.762 1
1 203 . 12 1 1 A 21 21 GLY H H 21 7.783 8.285 -0.502 1
1 204 . 12 1 1 A 21 21 GLY HA2 H 21 3.829 3.818 0.011 1
1 205 . 12 1 1 A 21 21 GLY C C 21 175.390 175.383 0.007 1
1 206 . 12 1 1 A 21 21 GLY CA C 21 46.978 46.655 0.323 1
1 207 . 12 1 1 A 21 21 GLY N N 21 106.102 107.146 -1.044 1
1 208 . 12 1 1 A 22 22 LYS H H 22 7.443 7.942 -0.499 1
1 209 . 12 1 1 A 22 22 LYS HA H 22 4.090 4.118 -0.028 1
1 217 . 12 1 1 A 22 22 LYS C C 22 177.806 178.393 -0.587 1
1 218 . 12 1 1 A 22 22 LYS CA C 22 56.974 59.081 -2.107 1
1 219 . 12 1 1 A 22 22 LYS CB C 22 32.718 32.198 0.520 1
1 223 . 12 1 1 A 22 22 LYS N N 22 118.883 120.787 -1.904 1
1 224 . 12 1 1 A 23 23 ILE H H 23 7.550 7.667 -0.117 1
1 225 . 12 1 1 A 23 23 ILE HA H 23 4.165 4.025 0.140 1
1 235 . 12 1 1 A 23 23 ILE C C 23 175.996 176.642 -0.646 1
1 236 . 12 1 1 A 23 23 ILE CA C 23 62.916 62.802 0.114 1
1 237 . 12 1 1 A 23 23 ILE CB C 23 39.444 38.393 1.051 1
1 241 . 12 1 1 A 23 23 ILE N N 23 114.457 118.703 -4.246 1
1 242 . 12 1 1 A 24 24 THR H H 24 7.778 7.578 0.200 1
1 243 . 12 1 1 A 24 24 THR HA H 24 4.379 4.503 -0.124 1
1 248 . 12 1 1 A 24 24 THR C C 24 174.616 173.943 0.673 1
1 249 . 12 1 1 A 24 24 THR CA C 24 62.699 61.546 1.153 1
1 250 . 12 1 1 A 24 24 THR CB C 24 70.567 68.849 1.718 1
1 252 . 12 1 1 A 24 24 THR N N 24 113.224 112.883 0.341 1
1 253 . 12 1 1 A 25 25 LYS H H 25 7.956 7.919 0.037 1
1 259 . 12 1 1 A 25 25 LYS CA C 25 56.696 56.781 -0.085 1
1 260 . 12 1 1 A 25 25 LYS CB C 25 33.428 30.816 2.612 1
1 262 . 12 1 1 A 25 25 LYS N N 25 122.468 118.065 4.403 1
1 263 . 12 1 1 A 26 26 GLU H H 26 8.392 8.224 0.168 1
1 264 . 12 1 1 A 26 26 GLU HA H 26 4.230 4.051 0.179 1
1 268 . 12 1 1 A 26 26 GLU C C 26 176.320 177.027 -0.707 1
1 269 . 12 1 1 A 26 26 GLU CA C 26 57.616 59.040 -1.424 1
1 270 . 12 1 1 A 26 26 GLU CB C 26 30.854 29.640 1.214 1
1 272 . 12 1 1 A 26 26 GLU N N 26 121.068 125.590 -4.522 1
1 273 . 12 1 1 A 27 27 ASP H H 27 8.299 8.032 0.267 1
1 274 . 12 1 1 A 27 27 ASP HA H 27 4.496 4.870 -0.374 1
1 276 . 12 1 1 A 27 27 ASP C C 27 175.931 175.739 0.192 1
1 277 . 12 1 1 A 27 27 ASP CA C 27 55.161 52.699 2.462 1
1 278 . 12 1 1 A 27 27 ASP CB C 27 41.532 41.452 0.080 1
1 279 . 12 1 1 A 27 27 ASP N N 27 119.412 119.140 0.272 1
1 280 . 12 1 1 A 28 28 GLN H H 28 8.108 7.775 0.333 1
1 281 . 12 1 1 A 28 28 GLN HA H 28 4.215 3.907 0.308 1
1 286 . 12 1 1 A 28 28 GLN C C 28 175.845 175.252 0.593 1
1 287 . 12 1 1 A 28 28 GLN CA C 28 56.559 57.790 -1.231 1
1 288 . 12 1 1 A 28 28 GLN CB C 28 30.105 26.782 3.323 1
1 290 . 12 1 1 A 28 28 GLN N N 28 119.037 117.729 1.308 1
1 292 . 12 1 1 A 29 29 PHE H H 29 8.235 8.355 -0.120 1
1 293 . 12 1 1 A 29 29 PHE HA H 29 4.514 4.478 0.036 1
1 299 . 12 1 1 A 29 29 PHE C C 29 175.361 175.446 -0.085 1
1 300 . 12 1 1 A 29 29 PHE CA C 29 58.810 57.747 1.063 1
1 301 . 12 1 1 A 29 29 PHE CB C 29 40.000 39.345 0.655 1
1 302 . 12 1 1 A 29 29 PHE N N 29 120.622 119.347 1.275 1
1 303 . 12 1 1 A 30 30 TYR H H 30 7.715 6.414 1.301 1
1 304 . 12 1 1 A 30 30 TYR HA H 30 4.508 4.463 0.045 1
1 310 . 12 1 1 A 30 30 TYR C C 30 175.416 175.396 0.020 1
1 311 . 12 1 1 A 30 30 TYR CA C 30 58.544 56.707 1.837 1
1 312 . 12 1 1 A 30 30 TYR CB C 30 39.613 39.891 -0.278 1
1 313 . 12 1 1 A 30 30 TYR N N 30 119.864 117.883 1.981 1
1 314 . 12 1 1 A 31 31 GLU H H 31 8.187 9.174 -0.987 1
1 315 . 12 1 1 A 31 31 GLU HA H 31 4.293 4.141 0.152 1
1 319 . 12 1 1 A 31 31 GLU C C 31 176.148 177.384 -1.236 1
1 320 . 12 1 1 A 31 31 GLU CA C 31 57.172 57.653 -0.481 1
1 321 . 12 1 1 A 31 31 GLU CB C 31 30.845 29.658 1.187 1
1 323 . 12 1 1 A 31 31 GLU N N 31 121.546 120.056 1.490 1
1 324 . 12 1 1 A 32 32 THR H H 32 7.864 8.118 -0.254 1
1 325 . 12 1 1 A 32 32 THR HA H 32 4.359 4.504 -0.145 1
1 330 . 12 1 1 A 32 32 THR C C 32 173.970 174.089 -0.119 1
1 331 . 12 1 1 A 32 32 THR CA C 32 62.043 61.602 0.441 1
1 332 . 12 1 1 A 32 32 THR CB C 32 70.721 69.118 1.603 1
1 334 . 12 1 1 A 32 32 THR N N 32 113.695 110.544 3.151 1
1 335 . 12 1 1 A 33 33 ASP H H 33 8.317 7.904 0.413 1
1 336 . 12 1 1 A 33 33 ASP HA H 33 4.880 5.114 -0.234 1
1 339 . 12 1 1 A 33 33 ASP CA C 33 53.661 51.694 1.967 1
1 340 . 12 1 1 A 33 33 ASP CB C 33 41.474 41.933 -0.459 1
1 341 . 12 1 1 A 33 33 ASP N N 33 123.601 122.137 1.464 1
1 342 . 12 1 1 A 34 34 PRO HA H 34 4.408 4.739 -0.331 1
1 348 . 12 1 1 A 34 34 PRO C C 34 174.420 176.224 -1.804 1
1 349 . 12 1 1 A 34 34 PRO CA C 34 64.164 62.627 1.537 1
1 350 . 12 1 1 A 34 34 PRO CB C 34 32.774 31.779 0.995 1
1 353 . 12 1 1 A 35 35 ILE H H 35 8.143 8.272 -0.129 1
1 354 . 12 1 1 A 35 35 ILE HA H 35 4.046 5.162 -1.116 1
1 364 . 12 1 1 A 35 35 ILE C C 35 176.474 174.870 1.604 1
1 365 . 12 1 1 A 35 35 ILE CA C 35 62.937 59.025 3.912 1
1 366 . 12 1 1 A 35 35 ILE CB C 35 39.275 42.783 -3.508 1
1 370 . 12 1 1 A 35 35 ILE N N 35 120.322 117.466 2.856 1
1 371 . 12 1 1 A 36 36 LEU H H 36 7.975 8.733 -0.758 1
1 372 . 12 1 1 A 36 36 LEU HA H 36 4.398 4.745 -0.347 1
1 381 . 12 1 1 A 36 36 LEU C C 36 177.299 177.496 -0.197 1
1 382 . 12 1 1 A 36 36 LEU CA C 36 56.022 54.216 1.806 1
1 383 . 12 1 1 A 36 36 LEU CB C 36 42.837 43.112 -0.275 1
1 387 . 12 1 1 A 36 36 LEU N N 36 121.023 122.556 -1.533 1
1 388 . 12 1 1 A 37 37 ARG H H 37 7.932 7.738 0.194 1
1 389 . 12 1 1 A 37 37 ARG HA H 37 4.345 4.177 0.168 1
1 395 . 12 1 1 A 37 37 ARG C C 37 176.869 179.633 -2.764 1
1 396 . 12 1 1 A 37 37 ARG CA C 37 56.912 58.726 -1.814 1
1 397 . 12 1 1 A 37 37 ARG CB C 37 31.127 30.228 0.899 1
1 400 . 12 1 1 A 37 37 ARG N N 37 118.673 121.003 -2.330 1
1 402 . 12 1 1 A 38 38 GLY H H 38 8.271 8.217 0.054 1
1 403 . 12 1 1 A 38 38 GLY HA2 H 38 3.986 3.610 0.376 1
1 404 . 12 1 1 A 38 38 GLY C C 38 174.864 175.410 -0.546 1
1 405 . 12 1 1 A 38 38 GLY CA C 38 46.258 47.281 -1.023 1
1 406 . 12 1 1 A 38 38 GLY N N 38 108.377 106.924 1.453 1
1 407 . 12 1 1 A 39 39 GLY H H 39 8.218 7.821 0.397 1
1 408 . 12 1 1 A 39 39 GLY HA2 H 39 3.998 4.060 -0.062 1
1 409 . 12 1 1 A 39 39 GLY C C 39 174.158 172.449 1.709 1
1 410 . 12 1 1 A 39 39 GLY CA C 39 46.187 44.261 1.926 1
1 411 . 12 1 1 A 39 39 GLY N N 39 108.485 109.325 -0.840 1
1 412 . 12 1 1 A 40 40 ASP H H 40 8.274 8.557 -0.283 1
1 413 . 12 1 1 A 40 40 ASP HA H 40 4.699 5.050 -0.351 1
1 415 . 12 1 1 A 40 40 ASP C C 40 176.791 175.892 0.899 1
1 416 . 12 1 1 A 40 40 ASP CA C 40 55.105 54.117 0.988 1
1 417 . 12 1 1 A 40 40 ASP CB C 40 41.715 42.225 -0.510 1
1 418 . 12 1 1 A 40 40 ASP N N 40 120.261 121.137 -0.876 1
1 419 . 12 1 1 A 41 41 VAL H H 41 8.071 8.614 -0.543 1
1 420 . 12 1 1 A 41 41 VAL HA H 41 3.993 3.845 0.148 1
1 425 . 12 1 1 A 41 41 VAL C C 41 176.869 176.371 0.498 1
1 426 . 12 1 1 A 41 41 VAL CA C 41 64.502 64.898 -0.396 1
1 427 . 12 1 1 A 41 41 VAL CB C 41 32.773 32.016 0.757 1
1 429 . 12 1 1 A 41 41 VAL N N 41 120.111 124.713 -4.602 1
1 430 . 12 1 1 A 42 42 LYS H H 42 8.213 7.172 1.041 1
1 431 . 12 1 1 A 42 42 LYS HA H 42 4.299 4.212 0.087 1
1 434 . 12 1 1 A 42 42 LYS C C 42 177.041 176.313 0.728 1
1 435 . 12 1 1 A 42 42 LYS CA C 42 57.639 56.886 0.753 1
1 436 . 12 1 1 A 42 42 LYS CB C 42 33.227 32.938 0.289 1
1 440 . 12 1 1 A 42 42 LYS N N 42 121.557 122.361 -0.804 1
1 441 . 12 1 1 A 43 43 SER H H 43 8.126 9.099 -0.973 1
1 442 . 12 1 1 A 43 43 SER HA H 43 4.452 4.886 -0.434 1
1 444 . 12 1 1 A 43 43 SER C C 43 175.085 173.405 1.680 1
1 445 . 12 1 1 A 43 43 SER CA C 43 59.403 57.551 1.852 1
1 446 . 12 1 1 A 43 43 SER CB C 43 64.208 66.900 -2.692 1
1 447 . 12 1 1 A 43 43 SER N N 43 115.295 121.312 -6.017 1
1 448 . 12 1 1 A 44 44 SER H H 44 8.251 8.556 -0.305 1
1 449 . 12 1 1 A 44 44 SER HA H 44 4.479 4.559 -0.080 1
1 451 . 12 1 1 A 44 44 SER C C 44 175.331 174.223 1.108 1
1 452 . 12 1 1 A 44 44 SER CA C 44 59.701 58.077 1.624 1
1 453 . 12 1 1 A 44 44 SER CB C 44 64.453 64.679 -0.226 1
1 454 . 12 1 1 A 44 44 SER N N 44 117.357 116.590 0.767 1
1 455 . 12 1 1 A 45 45 GLY H H 45 8.401 8.577 -0.176 1
1 456 . 12 1 1 A 45 45 GLY HA2 H 45 4.030 4.413 -0.383 1
1 457 . 12 1 1 A 45 45 GLY C C 45 174.472 174.678 -0.206 1
1 458 . 12 1 1 A 45 45 GLY CA C 45 46.258 44.583 1.675 1
1 459 . 12 1 1 A 45 45 GLY N N 45 110.523 108.178 2.345 1
1 460 . 12 1 1 A 46 46 SER H H 46 8.177 9.112 -0.935 1
1 461 . 12 1 1 A 46 46 SER HA H 46 4.536 4.235 0.301 1
1 463 . 12 1 1 A 46 46 SER C C 46 175.206 174.517 0.689 1
1 464 . 12 1 1 A 46 46 SER CA C 46 59.244 60.850 -1.606 1
1 465 . 12 1 1 A 46 46 SER CB C 46 64.484 64.108 0.376 1
1 466 . 12 1 1 A 46 46 SER N N 46 115.297 116.290 -0.993 1
1 467 . 12 1 1 A 47 47 THR H H 47 8.198 8.159 0.039 1
1 468 . 12 1 1 A 47 47 THR HA H 47 4.432 4.028 0.404 1
1 470 . 12 1 1 A 47 47 THR C C 47 174.939 174.172 0.767 1
1 471 . 12 1 1 A 47 47 THR CA C 47 62.746 62.872 -0.126 1
1 472 . 12 1 1 A 47 47 THR CB C 47 70.246 66.463 3.783 1
1 474 . 12 1 1 A 47 47 THR N N 47 114.635 115.628 -0.993 1
1 475 . 12 1 1 A 48 48 SER H H 48 8.228 8.482 -0.254 1
1 476 . 12 1 1 A 48 48 SER HA H 48 4.473 4.277 0.196 1
1 478 . 12 1 1 A 48 48 SER C C 48 175.241 173.217 2.024 1
1 479 . 12 1 1 A 48 48 SER CA C 48 59.480 60.643 -1.163 1
1 480 . 12 1 1 A 48 48 SER CB C 48 64.429 62.020 2.409 1
1 481 . 12 1 1 A 48 48 SER N N 48 117.146 111.403 5.743 1
1 482 . 12 1 1 A 49 49 GLY H H 49 8.342 8.407 -0.065 1
1 483 . 12 1 1 A 49 49 GLY HA2 H 49 4.048 4.191 -0.143 1
1 484 . 12 1 1 A 49 49 GLY C C 49 174.776 175.030 -0.254 1
1 485 . 12 1 1 A 49 49 GLY CA C 49 46.233 45.778 0.455 1
1 486 . 12 1 1 A 49 49 GLY N N 49 110.627 109.567 1.060 1
1 487 . 12 1 1 A 50 50 LYS H H 50 8.124 8.012 0.112 1
1 488 . 12 1 1 A 50 50 LYS HA H 50 4.302 4.315 -0.013 1
1 490 . 12 1 1 A 50 50 LYS C C 50 176.932 176.815 0.117 1
1 491 . 12 1 1 A 50 50 LYS CA C 50 57.333 57.544 -0.211 1
1 492 . 12 1 1 A 50 50 LYS CB C 50 33.497 33.090 0.407 1
1 496 . 12 1 1 A 50 50 LYS N N 50 120.037 117.118 2.919 1
1 497 . 12 1 1 A 51 51 LYS H H 51 8.089 8.052 0.037 1
1 498 . 12 1 1 A 51 51 LYS HA H 51 4.325 4.028 0.297 1
1 500 . 12 1 1 A 51 51 LYS C C 51 177.169 177.091 0.078 1
1 501 . 12 1 1 A 51 51 LYS CA C 51 57.251 57.039 0.212 1
1 502 . 12 1 1 A 51 51 LYS CB C 51 33.293 30.909 2.384 1
1 506 . 12 1 1 A 51 51 LYS N N 51 120.805 119.112 1.693 1
1 507 . 12 1 1 A 52 52 GLY H H 52 8.304 8.404 -0.100 1
1 508 . 12 1 1 A 52 52 GLY HA2 H 52 4.005 3.933 0.072 1
1 509 . 12 1 1 A 52 52 GLY C C 52 174.545 174.767 -0.222 1
1 510 . 12 1 1 A 52 52 GLY CA C 52 46.250 45.663 0.587 1
1 511 . 12 1 1 A 52 52 GLY N N 52 109.109 113.833 -4.724 1
1 512 . 12 1 1 A 53 53 GLY H H 53 8.201 7.863 0.338 1
1 513 . 12 1 1 A 53 53 GLY HA2 H 53 4.051 4.021 0.030 1
1 514 . 12 1 1 A 53 53 GLY C C 53 174.771 173.322 1.449 1
1 515 . 12 1 1 A 53 53 GLY CA C 53 46.204 45.627 0.577 1
1 516 . 12 1 1 A 53 53 GLY N N 53 108.474 107.609 0.865 1
1 517 . 12 1 1 A 54 54 THR H H 54 8.115 8.295 -0.180 1
1 518 . 12 1 1 A 54 54 THR HA H 54 4.442 4.804 -0.362 1
1 522 . 12 1 1 A 54 54 THR C C 54 175.190 175.768 -0.578 1
1 523 . 12 1 1 A 54 54 THR CA C 54 62.904 60.170 2.734 1
1 524 . 12 1 1 A 54 54 THR CB C 54 70.261 71.507 -1.246 1
1 525 . 12 1 1 A 54 54 THR N N 54 113.386 113.237 0.149 1
1 526 . 12 1 1 A 55 55 THR H H 55 8.158 8.870 -0.712 1
1 527 . 12 1 1 A 55 55 THR HA H 55 4.452 4.027 0.425 1
1 531 . 12 1 1 A 55 55 THR C C 55 175.050 175.134 -0.084 1
1 532 . 12 1 1 A 55 55 THR CA C 55 62.740 66.394 -3.654 1
1 533 . 12 1 1 A 55 55 THR CB C 55 70.171 69.088 1.083 1
1 535 . 12 1 1 A 55 55 THR N N 55 114.825 117.404 -2.579 1
1 536 . 12 1 1 A 56 56 SER H H 56 8.233 8.058 0.175 1
1 537 . 12 1 1 A 56 56 SER HA H 56 4.484 4.434 0.050 1
1 539 . 12 1 1 A 56 56 SER C C 56 175.314 174.333 0.981 1
1 540 . 12 1 1 A 56 56 SER CA C 56 59.419 60.563 -1.144 1
1 541 . 12 1 1 A 56 56 SER CB C 56 64.576 62.027 2.549 1
1 542 . 12 1 1 A 56 56 SER N N 56 117.144 114.287 2.857 1
1 543 . 12 1 1 A 57 57 GLY H H 57 8.340 8.664 -0.324 1
1 544 . 12 1 1 A 57 57 GLY HA2 H 57 4.043 4.087 -0.044 1
1 545 . 12 1 1 A 57 57 GLY C C 57 176.801 174.399 2.402 1
1 546 . 12 1 1 A 57 57 GLY CA C 57 45.927 44.636 1.291 1
1 547 . 12 1 1 A 57 57 GLY N N 57 110.613 110.251 0.362 1
1 548 . 12 1 1 A 58 58 LYS H H 58 8.125 8.605 -0.480 1
1 549 . 12 1 1 A 58 58 LYS HA H 58 4.313 3.859 0.454 1
1 554 . 12 1 1 A 58 58 LYS C C 58 176.220 176.269 -0.049 1
1 555 . 12 1 1 A 58 58 LYS CA C 58 57.524 56.893 0.631 1
1 556 . 12 1 1 A 58 58 LYS CB C 58 33.485 29.936 3.549 1
1 560 . 12 1 1 A 58 58 LYS N N 58 120.526 119.524 1.002 1
1 561 . 12 1 1 A 59 59 LYS H H 59 8.227 8.124 0.103 1
1 562 . 12 1 1 A 59 59 LYS HA H 59 4.202 4.402 -0.200 1
1 567 . 12 1 1 A 59 59 LYS C C 59 177.075 177.691 -0.616 1
1 568 . 12 1 1 A 59 59 LYS CA C 59 58.240 55.910 2.330 1
1 569 . 12 1 1 A 59 59 LYS CB C 59 33.354 34.349 -0.995 1
1 573 . 12 1 1 A 59 59 LYS N N 59 121.098 118.039 3.059 1
1 574 . 12 1 1 A 60 60 GLY H H 60 8.337 8.203 0.134 1
1 575 . 12 1 1 A 60 60 GLY HA2 H 60 4.047 3.962 0.085 1
1 576 . 12 1 1 A 60 60 GLY C C 60 174.631 174.853 -0.222 1
1 577 . 12 1 1 A 60 60 GLY CA C 60 46.282 46.611 -0.329 1
1 578 . 12 1 1 A 60 60 GLY N N 60 109.436 108.911 0.525 1
1 579 . 12 1 1 A 61 61 THR H H 61 7.947 7.748 0.199 1
1 580 . 12 1 1 A 61 61 THR HA H 61 4.396 4.592 -0.196 1
1 585 . 12 1 1 A 61 61 THR C C 61 174.470 175.257 -0.787 1
1 586 . 12 1 1 A 61 61 THR CA C 61 62.795 62.371 0.424 1
1 587 . 12 1 1 A 61 61 THR CB C 61 70.637 70.393 0.244 1
1 589 . 12 1 1 A 61 61 THR N N 61 112.095 110.060 2.035 1
1 590 . 12 1 1 A 62 62 VAL H H 62 7.788 7.958 -0.170 1
1 591 . 12 1 1 A 62 62 VAL HA H 62 4.243 4.362 -0.119 1
1 596 . 12 1 1 A 62 62 VAL CA C 62 62.733 63.193 -0.460 1
1 597 . 12 1 1 A 62 62 VAL CB C 62 33.693 33.876 -0.183 1
1 599 . 12 1 1 A 62 62 VAL N N 62 120.973 122.266 -1.293 1
1 600 . 12 1 1 A 63 63 SER H H 63 8.052 8.302 -0.250 1
1 601 . 12 1 1 A 63 63 SER HA H 63 4.665 4.121 0.544 1
1 604 . 12 1 1 A 63 63 SER CA C 63 57.747 61.785 -4.038 1
1 605 . 12 1 1 A 63 63 SER CB C 63 64.991 63.065 1.926 1
1 606 . 12 1 1 A 63 63 SER N N 63 119.427 116.639 2.788 1
1 607 . 12 1 1 A 64 64 ILE H H 64 8.191 7.418 0.773 1
1 608 . 12 1 1 A 64 64 ILE HA H 64 4.313 4.294 0.019 1
1 617 . 12 1 1 A 64 64 ILE CA C 64 59.873 60.204 -0.331 1
1 618 . 12 1 1 A 64 64 ILE CB C 64 38.818 37.536 1.282 1
1 621 . 12 1 1 A 64 64 ILE N N 64 122.947 118.195 4.752 1
1 622 . 12 1 1 A 65 65 PRO HA H 65 4.466 4.315 0.151 1
1 628 . 12 1 1 A 65 65 PRO CA C 65 64.303 65.181 -0.878 1
1 629 . 12 1 1 A 65 65 PRO CB C 65 32.672 31.834 0.838 1
1 632 . 12 1 1 A 66 66 SER H H 66 8.002 7.876 0.126 1
1 633 . 12 1 1 A 66 66 SER HA H 66 4.498 4.126 0.372 1
1 635 . 12 1 1 A 66 66 SER CA C 66 58.702 61.089 -2.387 1
1 636 . 12 1 1 A 66 66 SER CB C 66 64.819 61.577 3.242 1
1 637 . 12 1 1 A 66 66 SER N N 66 112.889 112.183 0.706 1
1 638 . 12 1 1 A 67 67 LYS H H 67 8.137 8.383 -0.246 1
1 639 . 12 1 1 A 67 67 LYS HA H 67 4.347 4.505 -0.158 1
1 641 . 12 1 1 A 67 67 LYS C C 67 176.555 176.785 -0.230 1
1 642 . 12 1 1 A 67 67 LYS CA C 67 57.061 55.108 1.953 1
1 643 . 12 1 1 A 67 67 LYS CB C 67 33.669 32.810 0.859 1
1 647 . 12 1 1 A 67 67 LYS N N 67 122.114 119.905 2.209 1
1 648 . 12 1 1 A 68 68 LYS H H 68 8.118 8.005 0.113 1
1 649 . 12 1 1 A 68 68 LYS HA H 68 4.322 4.471 -0.149 1
1 651 . 12 1 1 A 68 68 LYS C C 68 176.446 176.697 -0.251 1
1 652 . 12 1 1 A 68 68 LYS CA C 68 57.043 57.275 -0.232 1
1 653 . 12 1 1 A 68 68 LYS CB C 68 33.531 34.329 -0.798 1
1 657 . 12 1 1 A 68 68 LYS N N 68 121.435 123.465 -2.030 1
1 658 . 12 1 1 A 69 69 LYS H H 69 8.394 7.598 0.796 1
1 659 . 12 1 1 A 69 69 LYS HA H 69 4.351 4.523 -0.172 1
1 663 . 12 1 1 A 69 69 LYS C C 69 175.623 175.905 -0.282 1
1 664 . 12 1 1 A 69 69 LYS CA C 69 56.762 55.971 0.791 1
1 665 . 12 1 1 A 69 69 LYS CB C 69 33.782 34.362 -0.580 1
1 669 . 12 1 1 A 69 69 LYS N N 69 121.052 115.798 5.254 1
1 670 . 12 1 1 A 70 70 ASN H H 70 8.014 8.868 -0.854 1
1 671 . 12 1 1 A 70 70 ASN HA H 70 4.515 4.502 0.013 1
1 675 . 12 1 1 A 70 70 ASN CA C 70 55.331 54.287 1.044 1
1 676 . 12 1 1 A 70 70 ASN CB C 70 41.478 39.004 2.474 1
1 677 . 12 1 1 A 70 70 ASN N N 70 125.005 123.932 1.073 1
1 679 . 12 1 1 A 71 71 GLY H H 71 8.255 7.376 0.879 1
1 680 . 12 1 1 A 71 71 GLY HA2 H 71 3.986 4.114 -0.128 1
1 681 . 12 1 1 A 71 71 GLY C C 71 174.458 174.701 -0.243 1
1 682 . 12 1 1 A 71 71 GLY CA C 71 46.110 45.262 0.848 1
1 683 . 12 1 1 A 71 71 GLY N N 71 114.247 106.715 7.532 1
1 684 . 12 1 1 A 72 72 ASN H H 72 8.462 8.846 -0.384 1
1 685 . 12 1 1 A 72 72 ASN HA H 72 4.796 4.702 0.094 1
1 689 . 12 1 1 A 72 72 ASN C C 72 175.757 175.634 0.123 1
1 690 . 12 1 1 A 72 72 ASN CA C 72 53.882 55.060 -1.178 1
1 691 . 12 1 1 A 72 72 ASN CB C 72 39.885 38.664 1.221 1
1 692 . 12 1 1 A 72 72 ASN N N 72 118.314 120.362 -2.048 1
1 694 . 12 1 1 A 73 73 GLY H H 73 8.469 7.588 0.881 1
1 695 . 12 1 1 A 73 73 GLY HA2 H 73 3.968 4.128 -0.160 1
1 696 . 12 1 1 A 73 73 GLY C C 73 174.791 174.263 0.528 1
1 697 . 12 1 1 A 73 73 GLY CA C 73 46.247 44.203 2.044 1
1 698 . 12 1 1 A 73 73 GLY N N 73 109.019 104.424 4.595 1
1 699 . 12 1 1 A 74 74 GLY H H 74 7.946 8.580 -0.634 1
1 700 . 12 1 1 A 74 74 GLY HA2 H 74 4.112 3.926 0.186 1
1 701 . 12 1 1 A 74 74 GLY HA3 H 74 4.177 3.948 0.229 1
1 702 . 12 1 1 A 74 74 GLY C C 74 175.399 174.717 0.682 1
1 703 . 12 1 1 A 74 74 GLY CA C 74 45.825 46.571 -0.746 1
1 704 . 12 1 1 A 74 74 GLY N N 74 108.672 108.557 0.115 1
1 705 . 12 1 1 A 75 75 VAL H H 75 8.168 8.759 -0.591 1
1 706 . 12 1 1 A 75 75 VAL HA H 75 3.881 4.118 -0.237 1
1 714 . 12 1 1 A 75 75 VAL C C 75 176.466 175.335 1.131 1
1 715 . 12 1 1 A 75 75 VAL CA C 75 64.845 63.553 1.292 1
1 716 . 12 1 1 A 75 75 VAL CB C 75 32.811 33.226 -0.415 1
1 719 . 12 1 1 A 75 75 VAL N N 75 119.832 124.483 -4.651 1
1 720 . 12 1 1 A 76 76 PHE H H 76 8.138 7.884 0.254 1
1 721 . 12 1 1 A 76 76 PHE HA H 76 4.664 4.848 -0.184 1
1 729 . 12 1 1 A 76 76 PHE C C 76 176.775 176.619 0.156 1
1 730 . 12 1 1 A 76 76 PHE CA C 76 58.810 56.162 2.648 1
1 731 . 12 1 1 A 76 76 PHE CB C 76 39.177 42.170 -2.993 1
1 732 . 12 1 1 A 76 76 PHE N N 76 118.007 119.574 -1.567 1
1 733 . 12 1 1 A 77 77 GLY H H 77 8.080 8.737 -0.657 1
1 734 . 12 1 1 A 77 77 GLY HA2 H 77 3.948 3.939 0.009 1
1 735 . 12 1 1 A 77 77 GLY C C 77 175.581 174.364 1.217 1
1 736 . 12 1 1 A 77 77 GLY CA C 77 47.292 45.586 1.706 1
1 737 . 12 1 1 A 77 77 GLY N N 77 107.115 110.988 -3.873 1
1 738 . 12 1 1 A 78 78 GLY H H 78 8.136 7.435 0.701 1
1 739 . 12 1 1 A 78 78 GLY HA2 H 78 4.011 3.582 0.429 1
1 740 . 12 1 1 A 78 78 GLY C C 78 175.337 174.736 0.601 1
1 741 . 12 1 1 A 78 78 GLY CA C 78 46.315 45.292 1.023 1
1 742 . 12 1 1 A 78 78 GLY N N 78 108.462 106.578 1.884 1
1 743 . 12 1 1 A 79 79 LEU H H 79 7.641 7.827 -0.186 1
1 744 . 12 1 1 A 79 79 LEU HA H 79 4.022 4.026 -0.004 1
1 753 . 12 1 1 A 79 79 LEU C C 79 177.256 177.054 0.202 1
1 754 . 12 1 1 A 79 79 LEU CA C 79 57.813 57.851 -0.038 1
1 755 . 12 1 1 A 79 79 LEU CB C 79 43.316 41.490 1.826 1
1 759 . 12 1 1 A 79 79 LEU N N 79 121.664 119.807 1.857 1
1 760 . 12 1 1 A 80 80 PHE H H 80 7.944 7.303 0.641 1
1 761 . 12 1 1 A 80 80 PHE HA H 80 4.633 4.610 0.023 1
1 768 . 12 1 1 A 80 80 PHE C C 80 175.433 175.601 -0.168 1
1 769 . 12 1 1 A 80 80 PHE CA C 80 58.208 57.130 1.078 1
1 770 . 12 1 1 A 80 80 PHE CB C 80 39.615 39.607 0.008 1
1 771 . 12 1 1 A 80 80 PHE N N 80 114.796 117.782 -2.986 1
1 772 . 12 1 1 A 81 81 ALA H H 81 7.611 7.868 -0.257 1
1 773 . 12 1 1 A 81 81 ALA HA H 81 4.364 4.423 -0.059 1
1 777 . 12 1 1 A 81 81 ALA C C 81 177.568 176.410 1.158 1
1 778 . 12 1 1 A 81 81 ALA CA C 81 52.989 53.085 -0.096 1
1 779 . 12 1 1 A 81 81 ALA CB C 81 19.902 20.826 -0.924 1
1 780 . 12 1 1 A 81 81 ALA N N 81 122.618 120.638 1.980 1
1 781 . 12 1 1 A 82 82 LYS H H 82 8.155 7.680 0.475 1
1 782 . 12 1 1 A 82 82 LYS HA H 82 4.313 4.649 -0.336 1
1 784 . 12 1 1 A 82 82 LYS C C 82 176.941 175.757 1.184 1
1 785 . 12 1 1 A 82 82 LYS CA C 82 57.023 54.612 2.411 1
1 786 . 12 1 1 A 82 82 LYS CB C 82 33.299 35.219 -1.920 1
1 789 . 12 1 1 A 82 82 LYS N N 82 120.345 116.095 4.250 1
1 790 . 12 1 1 A 83 83 LYS H H 83 8.256 8.699 -0.443 1
1 791 . 12 1 1 A 83 83 LYS HA H 83 4.378 4.429 -0.051 1
1 794 . 12 1 1 A 83 83 LYS CA C 83 56.618 57.736 -1.118 1
1 795 . 12 1 1 A 83 83 LYS CB C 83 33.767 33.818 -0.051 1
1 799 . 12 1 1 A 83 83 LYS N N 83 122.901 125.309 -2.408 1
1 6 . 13 1 1 A 2 2 ALA H H 2 8.448 9.007 -0.559 1
1 7 . 13 1 1 A 2 2 ALA HA H 2 4.314 5.293 -0.979 1
1 11 . 13 1 1 A 2 2 ALA C C 2 177.731 175.960 1.771 1
1 12 . 13 1 1 A 2 2 ALA CA C 2 53.711 50.457 3.254 1
1 13 . 13 1 1 A 2 2 ALA CB C 2 19.629 22.429 -2.800 1
1 14 . 13 1 1 A 2 2 ALA N N 2 125.995 129.456 -3.461 1
1 15 . 13 1 1 A 3 3 ALA H H 3 8.148 8.822 -0.674 1
1 16 . 13 1 1 A 3 3 ALA HA H 3 4.292 4.910 -0.618 1
1 20 . 13 1 1 A 3 3 ALA C C 3 177.888 174.877 3.011 1
1 21 . 13 1 1 A 3 3 ALA CA C 3 53.439 51.806 1.633 1
1 22 . 13 1 1 A 3 3 ALA CB C 3 19.671 22.928 -3.257 1
1 23 . 13 1 1 A 3 3 ALA N N 3 121.767 122.427 -0.660 1
1 24 . 13 1 1 A 4 4 LYS H H 4 8.047 8.768 -0.721 1
1 25 . 13 1 1 A 4 4 LYS HA H 4 4.314 4.791 -0.477 1
1 27 . 13 1 1 A 4 4 LYS C C 4 177.363 175.408 1.955 1
1 28 . 13 1 1 A 4 4 LYS CA C 4 57.279 54.798 2.481 1
1 29 . 13 1 1 A 4 4 LYS CB C 4 33.570 33.950 -0.380 1
1 33 . 13 1 1 A 4 4 LYS N N 4 119.233 123.321 -4.088 1
1 34 . 13 1 1 A 5 5 GLY H H 5 8.317 8.425 -0.108 1
1 35 . 13 1 1 A 5 5 GLY HA2 H 5 4.039 4.138 -0.099 1
1 36 . 13 1 1 A 5 5 GLY C C 5 174.706 172.228 2.478 1
1 37 . 13 1 1 A 5 5 GLY CA C 5 46.246 45.090 1.156 1
1 38 . 13 1 1 A 5 5 GLY N N 5 109.070 111.607 -2.537 1
1 39 . 13 1 1 A 6 6 THR H H 6 8.002 8.557 -0.555 1
1 40 . 13 1 1 A 6 6 THR HA H 6 4.357 4.604 -0.247 1
1 42 . 13 1 1 A 6 6 THR C C 6 174.839 174.217 0.622 1
1 43 . 13 1 1 A 6 6 THR CA C 6 62.444 61.358 1.086 1
1 44 . 13 1 1 A 6 6 THR CB C 6 70.490 68.778 1.712 1
1 46 . 13 1 1 A 6 6 THR N N 6 112.809 118.505 -5.696 1
1 47 . 13 1 1 A 7 7 ALA H H 7 8.309 8.643 -0.334 1
1 48 . 13 1 1 A 7 7 ALA HA H 7 4.322 4.268 0.054 1
1 52 . 13 1 1 A 7 7 ALA C C 7 178.032 177.860 0.172 1
1 53 . 13 1 1 A 7 7 ALA CA C 7 53.792 54.350 -0.558 1
1 54 . 13 1 1 A 7 7 ALA CB C 7 19.733 19.517 0.216 1
1 55 . 13 1 1 A 7 7 ALA N N 7 125.292 129.167 -3.875 1
1 56 . 13 1 1 A 8 8 GLU H H 8 8.358 7.879 0.479 1
1 57 . 13 1 1 A 8 8 GLU HA H 8 4.297 4.697 -0.400 1
1 59 . 13 1 1 A 8 8 GLU C C 8 176.936 176.155 0.781 1
1 60 . 13 1 1 A 8 8 GLU CA C 8 57.618 54.986 2.632 1
1 61 . 13 1 1 A 8 8 GLU CB C 8 30.792 30.794 -0.002 1
1 63 . 13 1 1 A 8 8 GLU N N 8 118.943 116.530 2.413 1
1 64 . 13 1 1 A 9 9 THR H H 9 7.974 8.996 -1.022 1
1 65 . 13 1 1 A 9 9 THR HA H 9 4.365 3.928 0.437 1
1 67 . 13 1 1 A 9 9 THR C C 9 174.629 173.696 0.933 1
1 68 . 13 1 1 A 9 9 THR CA C 9 62.617 65.889 -3.272 1
1 69 . 13 1 1 A 9 9 THR CB C 9 70.422 67.265 3.157 1
1 71 . 13 1 1 A 9 9 THR N N 9 113.540 118.650 -5.110 1
1 72 . 13 1 1 A 10 10 LYS H H 10 8.242 8.309 -0.067 1
1 73 . 13 1 1 A 10 10 LYS HA H 10 4.314 4.493 -0.179 1
1 75 . 13 1 1 A 10 10 LYS C C 10 176.513 175.058 1.455 1
1 76 . 13 1 1 A 10 10 LYS CA C 10 57.173 55.894 1.279 1
1 77 . 13 1 1 A 10 10 LYS CB C 10 33.511 32.834 0.677 1
1 81 . 13 1 1 A 10 10 LYS N N 10 123.339 118.459 4.880 1
1 82 . 13 1 1 A 11 11 GLN H H 11 8.381 7.185 1.196 1
1 83 . 13 1 1 A 11 11 GLN HA H 11 4.322 4.527 -0.205 1
1 89 . 13 1 1 A 11 11 GLN C C 11 176.073 174.463 1.610 1
1 90 . 13 1 1 A 11 11 GLN CA C 11 56.689 54.744 1.945 1
1 91 . 13 1 1 A 11 11 GLN CB C 11 29.940 30.939 -0.999 1
1 93 . 13 1 1 A 11 11 GLN N N 11 120.885 114.890 5.995 1
1 95 . 13 1 1 A 12 12 GLU H H 12 8.407 8.930 -0.523 1
1 96 . 13 1 1 A 12 12 GLU HA H 12 4.304 4.707 -0.403 1
1 98 . 13 1 1 A 12 12 GLU C C 12 176.253 176.547 -0.294 1
1 99 . 13 1 1 A 12 12 GLU CA C 12 57.536 55.858 1.678 1
1 100 . 13 1 1 A 12 12 GLU CB C 12 30.799 30.720 0.079 1
1 102 . 13 1 1 A 12 12 GLU N N 12 121.152 117.355 3.797 1
1 103 . 13 1 1 A 13 13 LYS H H 13 8.220 7.624 0.596 1
1 104 . 13 1 1 A 13 13 LYS HA H 13 4.542 4.561 -0.019 1
1 108 . 13 1 1 A 13 13 LYS C C 13 175.856 175.692 0.164 1
1 109 . 13 1 1 A 13 13 LYS CA C 13 56.335 55.171 1.164 1
1 110 . 13 1 1 A 13 13 LYS CB C 13 33.863 32.409 1.454 1
1 114 . 13 1 1 A 13 13 LYS N N 13 121.312 120.089 1.223 1
1 115 . 13 1 1 A 14 14 SER H H 14 8.447 7.516 0.931 1
1 116 . 13 1 1 A 14 14 SER HA H 14 4.639 4.667 -0.028 1
1 119 . 13 1 1 A 14 14 SER C C 14 175.529 175.922 -0.393 1
1 120 . 13 1 1 A 14 14 SER CA C 14 58.802 56.532 2.270 1
1 121 . 13 1 1 A 14 14 SER CB C 14 64.803 65.238 -0.435 1
1 122 . 13 1 1 A 14 14 SER N N 14 116.487 116.302 0.185 1
1 123 . 13 1 1 A 15 15 PHE H H 15 8.802 8.999 -0.197 1
1 124 . 13 1 1 A 15 15 PHE HA H 15 4.448 4.261 0.187 1
1 129 . 13 1 1 A 15 15 PHE C C 15 176.935 177.627 -0.692 1
1 130 . 13 1 1 A 15 15 PHE CA C 15 62.188 60.516 1.672 1
1 131 . 13 1 1 A 15 15 PHE CB C 15 39.721 38.013 1.708 1
1 132 . 13 1 1 A 15 15 PHE N N 15 124.339 122.295 2.044 1
1 133 . 13 1 1 A 16 16 VAL H H 16 8.025 7.526 0.499 1
1 134 . 13 1 1 A 16 16 VAL HA H 16 3.490 3.753 -0.263 1
1 142 . 13 1 1 A 16 16 VAL C C 16 177.123 177.290 -0.167 1
1 143 . 13 1 1 A 16 16 VAL CA C 16 67.959 64.758 3.201 1
1 144 . 13 1 1 A 16 16 VAL CB C 16 32.250 30.846 1.404 1
1 147 . 13 1 1 A 16 16 VAL N N 16 118.329 121.251 -2.922 1
1 148 . 13 1 1 A 17 17 ASP H H 17 7.926 8.253 -0.327 1
1 149 . 13 1 1 A 17 17 ASP HA H 17 4.354 4.314 0.040 1
1 152 . 13 1 1 A 17 17 ASP C C 17 179.625 178.211 1.414 1
1 153 . 13 1 1 A 17 17 ASP CA C 17 58.204 57.283 0.921 1
1 154 . 13 1 1 A 17 17 ASP CB C 17 41.324 41.311 0.013 1
1 155 . 13 1 1 A 17 17 ASP N N 17 118.753 121.167 -2.414 1
1 156 . 13 1 1 A 18 18 TRP H H 18 8.174 7.774 0.400 1
1 157 . 13 1 1 A 18 18 TRP HA H 18 4.111 4.373 -0.262 1
1 163 . 13 1 1 A 18 18 TRP CA C 18 62.194 60.766 1.428 1
1 164 . 13 1 1 A 18 18 TRP CB C 18 29.150 29.599 -0.449 1
1 165 . 13 1 1 A 18 18 TRP N N 18 122.311 121.586 0.725 1
1 167 . 13 1 1 A 19 19 LEU H H 19 8.517 8.947 -0.430 1
1 168 . 13 1 1 A 19 19 LEU HA H 19 3.447 4.113 -0.666 1
1 178 . 13 1 1 A 19 19 LEU C C 19 179.115 179.062 0.053 1
1 179 . 13 1 1 A 19 19 LEU CA C 19 58.630 58.570 0.060 1
1 180 . 13 1 1 A 19 19 LEU CB C 19 42.676 42.252 0.424 1
1 184 . 13 1 1 A 19 19 LEU N N 19 120.943 121.518 -0.575 1
1 185 . 13 1 1 A 20 20 LEU H H 20 8.713 8.664 0.049 1
1 186 . 13 1 1 A 20 20 LEU HA H 20 3.972 4.026 -0.054 1
1 196 . 13 1 1 A 20 20 LEU C C 20 180.266 178.824 1.442 1
1 197 . 13 1 1 A 20 20 LEU CA C 20 58.318 57.760 0.558 1
1 198 . 13 1 1 A 20 20 LEU CB C 20 41.655 41.665 -0.010 1
1 202 . 13 1 1 A 20 20 LEU N N 20 117.598 119.515 -1.917 1
1 203 . 13 1 1 A 21 21 GLY H H 21 7.783 8.262 -0.479 1
1 204 . 13 1 1 A 21 21 GLY HA2 H 21 3.829 3.674 0.155 1
1 205 . 13 1 1 A 21 21 GLY C C 21 175.390 175.308 0.082 1
1 206 . 13 1 1 A 21 21 GLY CA C 21 46.978 46.574 0.404 1
1 207 . 13 1 1 A 21 21 GLY N N 21 106.102 107.122 -1.020 1
1 208 . 13 1 1 A 22 22 LYS H H 22 7.443 8.055 -0.612 1
1 209 . 13 1 1 A 22 22 LYS HA H 22 4.090 4.139 -0.049 1
1 217 . 13 1 1 A 22 22 LYS C C 22 177.806 178.731 -0.925 1
1 218 . 13 1 1 A 22 22 LYS CA C 22 56.974 58.948 -1.974 1
1 219 . 13 1 1 A 22 22 LYS CB C 22 32.718 32.283 0.435 1
1 223 . 13 1 1 A 22 22 LYS N N 22 118.883 120.818 -1.935 1
1 224 . 13 1 1 A 23 23 ILE H H 23 7.550 7.406 0.144 1
1 225 . 13 1 1 A 23 23 ILE HA H 23 4.165 3.892 0.273 1
1 235 . 13 1 1 A 23 23 ILE C C 23 175.996 178.029 -2.033 1
1 236 . 13 1 1 A 23 23 ILE CA C 23 62.916 63.549 -0.633 1
1 237 . 13 1 1 A 23 23 ILE CB C 23 39.444 37.729 1.715 1
1 241 . 13 1 1 A 23 23 ILE N N 23 114.457 119.501 -5.044 1
1 242 . 13 1 1 A 24 24 THR H H 24 7.778 8.120 -0.342 1
1 243 . 13 1 1 A 24 24 THR HA H 24 4.379 3.953 0.426 1
1 248 . 13 1 1 A 24 24 THR C C 24 174.616 174.165 0.451 1
1 249 . 13 1 1 A 24 24 THR CA C 24 62.699 65.023 -2.324 1
1 250 . 13 1 1 A 24 24 THR CB C 24 70.567 69.335 1.232 1
1 252 . 13 1 1 A 24 24 THR N N 24 113.224 114.880 -1.656 1
1 253 . 13 1 1 A 25 25 LYS H H 25 7.956 7.815 0.141 1
1 259 . 13 1 1 A 25 25 LYS CA C 25 56.696 58.336 -1.640 1
1 260 . 13 1 1 A 25 25 LYS CB C 25 33.428 31.190 2.238 1
1 262 . 13 1 1 A 25 25 LYS N N 25 122.468 120.013 2.455 1
1 263 . 13 1 1 A 26 26 GLU H H 26 8.392 8.704 -0.312 1
1 264 . 13 1 1 A 26 26 GLU HA H 26 4.230 4.524 -0.294 1
1 268 . 13 1 1 A 26 26 GLU C C 26 176.320 175.484 0.836 1
1 269 . 13 1 1 A 26 26 GLU CA C 26 57.616 55.826 1.790 1
1 270 . 13 1 1 A 26 26 GLU CB C 26 30.854 29.278 1.576 1
1 272 . 13 1 1 A 26 26 GLU N N 26 121.068 118.640 2.428 1
1 273 . 13 1 1 A 27 27 ASP H H 27 8.299 7.644 0.655 1
1 274 . 13 1 1 A 27 27 ASP HA H 27 4.496 4.981 -0.485 1
1 276 . 13 1 1 A 27 27 ASP C C 27 175.931 174.814 1.117 1
1 277 . 13 1 1 A 27 27 ASP CA C 27 55.161 52.793 2.368 1
1 278 . 13 1 1 A 27 27 ASP CB C 27 41.532 44.985 -3.453 1
1 279 . 13 1 1 A 27 27 ASP N N 27 119.412 120.556 -1.144 1
1 280 . 13 1 1 A 28 28 GLN H H 28 8.108 8.393 -0.285 1
1 281 . 13 1 1 A 28 28 GLN HA H 28 4.215 4.640 -0.425 1
1 286 . 13 1 1 A 28 28 GLN C C 28 175.845 175.485 0.360 1
1 287 . 13 1 1 A 28 28 GLN CA C 28 56.559 55.023 1.536 1
1 288 . 13 1 1 A 28 28 GLN CB C 28 30.105 30.765 -0.660 1
1 290 . 13 1 1 A 28 28 GLN N N 28 119.037 119.938 -0.901 1
1 292 . 13 1 1 A 29 29 PHE H H 29 8.235 8.394 -0.159 1
1 293 . 13 1 1 A 29 29 PHE HA H 29 4.514 4.522 -0.008 1
1 299 . 13 1 1 A 29 29 PHE C C 29 175.361 175.809 -0.448 1
1 300 . 13 1 1 A 29 29 PHE CA C 29 58.810 58.562 0.248 1
1 301 . 13 1 1 A 29 29 PHE CB C 29 40.000 41.562 -1.562 1
1 302 . 13 1 1 A 29 29 PHE N N 29 120.622 121.709 -1.087 1
1 303 . 13 1 1 A 30 30 TYR H H 30 7.715 8.128 -0.413 1
1 304 . 13 1 1 A 30 30 TYR HA H 30 4.508 4.341 0.167 1
1 310 . 13 1 1 A 30 30 TYR C C 30 175.416 176.373 -0.957 1
1 311 . 13 1 1 A 30 30 TYR CA C 30 58.544 60.464 -1.920 1
1 312 . 13 1 1 A 30 30 TYR CB C 30 39.613 39.517 0.096 1
1 313 . 13 1 1 A 30 30 TYR N N 30 119.864 118.323 1.541 1
1 314 . 13 1 1 A 31 31 GLU H H 31 8.187 7.728 0.459 1
1 315 . 13 1 1 A 31 31 GLU HA H 31 4.293 4.078 0.215 1
1 319 . 13 1 1 A 31 31 GLU C C 31 176.148 176.337 -0.189 1
1 320 . 13 1 1 A 31 31 GLU CA C 31 57.172 58.494 -1.322 1
1 321 . 13 1 1 A 31 31 GLU CB C 31 30.845 29.431 1.414 1
1 323 . 13 1 1 A 31 31 GLU N N 31 121.546 119.603 1.943 1
1 324 . 13 1 1 A 32 32 THR H H 32 7.864 8.292 -0.428 1
1 325 . 13 1 1 A 32 32 THR HA H 32 4.359 4.791 -0.432 1
1 330 . 13 1 1 A 32 32 THR C C 32 173.970 173.709 0.261 1
1 331 . 13 1 1 A 32 32 THR CA C 32 62.043 61.175 0.868 1
1 332 . 13 1 1 A 32 32 THR CB C 32 70.721 69.838 0.883 1
1 334 . 13 1 1 A 32 32 THR N N 32 113.695 111.343 2.352 1
1 335 . 13 1 1 A 33 33 ASP H H 33 8.317 8.076 0.241 1
1 336 . 13 1 1 A 33 33 ASP HA H 33 4.880 4.363 0.517 1
1 339 . 13 1 1 A 33 33 ASP CA C 33 53.661 54.964 -1.303 1
1 340 . 13 1 1 A 33 33 ASP CB C 33 41.474 39.365 2.109 1
1 341 . 13 1 1 A 33 33 ASP N N 33 123.601 121.056 2.545 1
1 342 . 13 1 1 A 34 34 PRO HA H 34 4.408 4.685 -0.277 1
1 348 . 13 1 1 A 34 34 PRO C C 34 174.420 175.999 -1.579 1
1 349 . 13 1 1 A 34 34 PRO CA C 34 64.164 62.842 1.322 1
1 350 . 13 1 1 A 34 34 PRO CB C 34 32.774 31.274 1.500 1
1 353 . 13 1 1 A 35 35 ILE H H 35 8.143 8.153 -0.010 1
1 354 . 13 1 1 A 35 35 ILE HA H 35 4.046 5.111 -1.065 1
1 364 . 13 1 1 A 35 35 ILE C C 35 176.474 175.018 1.456 1
1 365 . 13 1 1 A 35 35 ILE CA C 35 62.937 59.073 3.864 1
1 366 . 13 1 1 A 35 35 ILE CB C 35 39.275 41.819 -2.544 1
1 370 . 13 1 1 A 35 35 ILE N N 35 120.322 117.537 2.785 1
1 371 . 13 1 1 A 36 36 LEU H H 36 7.975 8.456 -0.481 1
1 372 . 13 1 1 A 36 36 LEU HA H 36 4.398 4.386 0.012 1
1 381 . 13 1 1 A 36 36 LEU C C 36 177.299 178.393 -1.094 1
1 382 . 13 1 1 A 36 36 LEU CA C 36 56.022 56.286 -0.264 1
1 383 . 13 1 1 A 36 36 LEU CB C 36 42.837 42.435 0.402 1
1 387 . 13 1 1 A 36 36 LEU N N 36 121.023 121.724 -0.701 1
1 388 . 13 1 1 A 37 37 ARG H H 37 7.932 8.130 -0.198 1
1 389 . 13 1 1 A 37 37 ARG HA H 37 4.345 4.479 -0.134 1
1 395 . 13 1 1 A 37 37 ARG C C 37 176.869 177.517 -0.648 1
1 396 . 13 1 1 A 37 37 ARG CA C 37 56.912 56.732 0.180 1
1 397 . 13 1 1 A 37 37 ARG CB C 37 31.127 32.049 -0.922 1
1 400 . 13 1 1 A 37 37 ARG N N 37 118.673 116.634 2.039 1
1 402 . 13 1 1 A 38 38 GLY H H 38 8.271 7.816 0.455 1
1 403 . 13 1 1 A 38 38 GLY HA2 H 38 3.986 4.062 -0.076 1
1 404 . 13 1 1 A 38 38 GLY C C 38 174.864 175.689 -0.825 1
1 405 . 13 1 1 A 38 38 GLY CA C 38 46.258 45.603 0.655 1
1 406 . 13 1 1 A 38 38 GLY N N 38 108.377 107.588 0.789 1
1 407 . 13 1 1 A 39 39 GLY H H 39 8.218 8.225 -0.007 1
1 408 . 13 1 1 A 39 39 GLY HA2 H 39 3.998 3.907 0.091 1
1 409 . 13 1 1 A 39 39 GLY C C 39 174.158 173.893 0.265 1
1 410 . 13 1 1 A 39 39 GLY CA C 39 46.187 46.420 -0.233 1
1 411 . 13 1 1 A 39 39 GLY N N 39 108.485 110.378 -1.893 1
1 412 . 13 1 1 A 40 40 ASP H H 40 8.274 8.481 -0.207 1
1 413 . 13 1 1 A 40 40 ASP HA H 40 4.699 4.376 0.323 1
1 415 . 13 1 1 A 40 40 ASP C C 40 176.791 176.140 0.651 1
1 416 . 13 1 1 A 40 40 ASP CA C 40 55.105 55.187 -0.082 1
1 417 . 13 1 1 A 40 40 ASP CB C 40 41.715 38.874 2.841 1
1 418 . 13 1 1 A 40 40 ASP N N 40 120.261 113.482 6.779 1
1 419 . 13 1 1 A 41 41 VAL H H 41 8.071 7.443 0.628 1
1 420 . 13 1 1 A 41 41 VAL HA H 41 3.993 3.878 0.115 1
1 425 . 13 1 1 A 41 41 VAL C C 41 176.869 176.747 0.122 1
1 426 . 13 1 1 A 41 41 VAL CA C 41 64.502 64.867 -0.365 1
1 427 . 13 1 1 A 41 41 VAL CB C 41 32.773 31.706 1.067 1
1 429 . 13 1 1 A 41 41 VAL N N 41 120.111 118.431 1.680 1
1 430 . 13 1 1 A 42 42 LYS H H 42 8.213 7.535 0.678 1
1 431 . 13 1 1 A 42 42 LYS HA H 42 4.299 4.133 0.166 1
1 434 . 13 1 1 A 42 42 LYS C C 42 177.041 175.163 1.878 1
1 435 . 13 1 1 A 42 42 LYS CA C 42 57.639 57.415 0.224 1
1 436 . 13 1 1 A 42 42 LYS CB C 42 33.227 32.917 0.310 1
1 440 . 13 1 1 A 42 42 LYS N N 42 121.557 122.509 -0.952 1
1 441 . 13 1 1 A 43 43 SER H H 43 8.126 8.745 -0.619 1
1 442 . 13 1 1 A 43 43 SER HA H 43 4.452 4.908 -0.456 1
1 444 . 13 1 1 A 43 43 SER C C 43 175.085 173.266 1.819 1
1 445 . 13 1 1 A 43 43 SER CA C 43 59.403 56.970 2.433 1
1 446 . 13 1 1 A 43 43 SER CB C 43 64.208 65.104 -0.896 1
1 447 . 13 1 1 A 43 43 SER N N 43 115.295 120.808 -5.513 1
1 448 . 13 1 1 A 44 44 SER H H 44 8.251 8.690 -0.439 1
1 449 . 13 1 1 A 44 44 SER HA H 44 4.479 4.529 -0.050 1
1 451 . 13 1 1 A 44 44 SER C C 44 175.331 174.584 0.747 1
1 452 . 13 1 1 A 44 44 SER CA C 44 59.701 59.296 0.405 1
1 453 . 13 1 1 A 44 44 SER CB C 44 64.453 62.667 1.786 1
1 454 . 13 1 1 A 44 44 SER N N 44 117.357 119.593 -2.236 1
1 455 . 13 1 1 A 45 45 GLY H H 45 8.401 8.237 0.164 1
1 456 . 13 1 1 A 45 45 GLY HA2 H 45 4.030 4.098 -0.068 1
1 457 . 13 1 1 A 45 45 GLY C C 45 174.472 173.085 1.387 1
1 458 . 13 1 1 A 45 45 GLY CA C 45 46.258 44.213 2.045 1
1 459 . 13 1 1 A 45 45 GLY N N 45 110.523 113.530 -3.007 1
1 460 . 13 1 1 A 46 46 SER H H 46 8.177 8.502 -0.325 1
1 461 . 13 1 1 A 46 46 SER HA H 46 4.536 5.004 -0.468 1
1 463 . 13 1 1 A 46 46 SER C C 46 175.206 172.705 2.501 1
1 464 . 13 1 1 A 46 46 SER CA C 46 59.244 57.380 1.864 1
1 465 . 13 1 1 A 46 46 SER CB C 46 64.484 66.627 -2.143 1
1 466 . 13 1 1 A 46 46 SER N N 46 115.297 114.098 1.199 1
1 467 . 13 1 1 A 47 47 THR H H 47 8.198 8.779 -0.581 1
1 468 . 13 1 1 A 47 47 THR HA H 47 4.432 4.876 -0.444 1
1 470 . 13 1 1 A 47 47 THR C C 47 174.939 173.495 1.444 1
1 471 . 13 1 1 A 47 47 THR CA C 47 62.746 60.010 2.736 1
1 472 . 13 1 1 A 47 47 THR CB C 47 70.246 71.678 -1.432 1
1 474 . 13 1 1 A 47 47 THR N N 47 114.635 113.599 1.036 1
1 475 . 13 1 1 A 48 48 SER H H 48 8.228 8.648 -0.420 1
1 476 . 13 1 1 A 48 48 SER HA H 48 4.473 4.597 -0.124 1
1 478 . 13 1 1 A 48 48 SER C C 48 175.241 174.559 0.682 1
1 479 . 13 1 1 A 48 48 SER CA C 48 59.480 58.201 1.279 1
1 480 . 13 1 1 A 48 48 SER CB C 48 64.429 63.823 0.606 1
1 481 . 13 1 1 A 48 48 SER N N 48 117.146 116.877 0.269 1
1 482 . 13 1 1 A 49 49 GLY H H 49 8.342 8.417 -0.075 1
1 483 . 13 1 1 A 49 49 GLY HA2 H 49 4.048 3.850 0.198 1
1 484 . 13 1 1 A 49 49 GLY C C 49 174.776 174.975 -0.199 1
1 485 . 13 1 1 A 49 49 GLY CA C 49 46.233 46.574 -0.341 1
1 486 . 13 1 1 A 49 49 GLY N N 49 110.627 113.930 -3.303 1
1 487 . 13 1 1 A 50 50 LYS H H 50 8.124 7.556 0.568 1
1 488 . 13 1 1 A 50 50 LYS HA H 50 4.302 4.252 0.050 1
1 490 . 13 1 1 A 50 50 LYS C C 50 176.932 176.540 0.392 1
1 491 . 13 1 1 A 50 50 LYS CA C 50 57.333 57.442 -0.109 1
1 492 . 13 1 1 A 50 50 LYS CB C 50 33.497 33.326 0.171 1
1 496 . 13 1 1 A 50 50 LYS N N 50 120.037 121.514 -1.477 1
1 497 . 13 1 1 A 51 51 LYS H H 51 8.089 7.124 0.965 1
1 498 . 13 1 1 A 51 51 LYS HA H 51 4.325 4.505 -0.180 1
1 500 . 13 1 1 A 51 51 LYS C C 51 177.169 176.734 0.435 1
1 501 . 13 1 1 A 51 51 LYS CA C 51 57.251 54.895 2.356 1
1 502 . 13 1 1 A 51 51 LYS CB C 51 33.293 34.635 -1.342 1
1 506 . 13 1 1 A 51 51 LYS N N 51 120.805 113.745 7.060 1
1 507 . 13 1 1 A 52 52 GLY H H 52 8.304 8.668 -0.364 1
1 508 . 13 1 1 A 52 52 GLY HA2 H 52 4.005 3.721 0.284 1
1 509 . 13 1 1 A 52 52 GLY C C 52 174.545 174.664 -0.119 1
1 510 . 13 1 1 A 52 52 GLY CA C 52 46.250 46.914 -0.664 1
1 511 . 13 1 1 A 52 52 GLY N N 52 109.109 107.995 1.114 1
1 512 . 13 1 1 A 53 53 GLY H H 53 8.201 7.447 0.754 1
1 513 . 13 1 1 A 53 53 GLY HA2 H 53 4.051 4.111 -0.060 1
1 514 . 13 1 1 A 53 53 GLY C C 53 174.771 173.374 1.397 1
1 515 . 13 1 1 A 53 53 GLY CA C 53 46.204 44.796 1.408 1
1 516 . 13 1 1 A 53 53 GLY N N 53 108.474 104.328 4.146 1
1 517 . 13 1 1 A 54 54 THR H H 54 8.115 8.431 -0.316 1
1 518 . 13 1 1 A 54 54 THR HA H 54 4.442 4.721 -0.279 1
1 522 . 13 1 1 A 54 54 THR C C 54 175.190 173.588 1.602 1
1 523 . 13 1 1 A 54 54 THR CA C 54 62.904 61.320 1.584 1
1 524 . 13 1 1 A 54 54 THR CB C 54 70.261 69.621 0.640 1
1 525 . 13 1 1 A 54 54 THR N N 54 113.386 114.204 -0.818 1
1 526 . 13 1 1 A 55 55 THR H H 55 8.158 7.631 0.527 1
1 527 . 13 1 1 A 55 55 THR HA H 55 4.452 4.789 -0.337 1
1 531 . 13 1 1 A 55 55 THR C C 55 175.050 174.280 0.770 1
1 532 . 13 1 1 A 55 55 THR CA C 55 62.740 61.558 1.182 1
1 533 . 13 1 1 A 55 55 THR CB C 55 70.171 70.613 -0.442 1
1 535 . 13 1 1 A 55 55 THR N N 55 114.825 118.818 -3.993 1
1 536 . 13 1 1 A 56 56 SER H H 56 8.233 8.831 -0.598 1
1 537 . 13 1 1 A 56 56 SER HA H 56 4.484 4.789 -0.305 1
1 539 . 13 1 1 A 56 56 SER C C 56 175.314 174.857 0.457 1
1 540 . 13 1 1 A 56 56 SER CA C 56 59.419 57.996 1.423 1
1 541 . 13 1 1 A 56 56 SER CB C 56 64.576 63.602 0.974 1
1 542 . 13 1 1 A 56 56 SER N N 56 117.144 122.648 -5.504 1
1 543 . 13 1 1 A 57 57 GLY H H 57 8.340 8.106 0.234 1
1 544 . 13 1 1 A 57 57 GLY HA2 H 57 4.043 4.028 0.015 1
1 545 . 13 1 1 A 57 57 GLY C C 57 176.801 175.028 1.773 1
1 546 . 13 1 1 A 57 57 GLY CA C 57 45.927 45.839 0.088 1
1 547 . 13 1 1 A 57 57 GLY N N 57 110.613 109.551 1.062 1
1 548 . 13 1 1 A 58 58 LYS H H 58 8.125 7.754 0.371 1
1 549 . 13 1 1 A 58 58 LYS HA H 58 4.313 4.459 -0.146 1
1 554 . 13 1 1 A 58 58 LYS C C 58 176.220 176.990 -0.770 1
1 555 . 13 1 1 A 58 58 LYS CA C 58 57.524 57.677 -0.153 1
1 556 . 13 1 1 A 58 58 LYS CB C 58 33.485 34.034 -0.549 1
1 560 . 13 1 1 A 58 58 LYS N N 58 120.526 118.407 2.119 1
1 561 . 13 1 1 A 59 59 LYS H H 59 8.227 7.880 0.347 1
1 562 . 13 1 1 A 59 59 LYS HA H 59 4.202 4.609 -0.407 1
1 567 . 13 1 1 A 59 59 LYS C C 59 177.075 177.568 -0.493 1
1 568 . 13 1 1 A 59 59 LYS CA C 59 58.240 55.263 2.977 1
1 569 . 13 1 1 A 59 59 LYS CB C 59 33.354 32.883 0.471 1
1 573 . 13 1 1 A 59 59 LYS N N 59 121.098 115.710 5.388 1
1 574 . 13 1 1 A 60 60 GLY H H 60 8.337 8.346 -0.009 1
1 575 . 13 1 1 A 60 60 GLY HA2 H 60 4.047 3.919 0.128 1
1 576 . 13 1 1 A 60 60 GLY C C 60 174.631 174.523 0.108 1
1 577 . 13 1 1 A 60 60 GLY CA C 60 46.282 45.727 0.555 1
1 578 . 13 1 1 A 60 60 GLY N N 60 109.436 109.606 -0.170 1
1 579 . 13 1 1 A 61 61 THR H H 61 7.947 7.933 0.014 1
1 580 . 13 1 1 A 61 61 THR HA H 61 4.396 4.556 -0.160 1
1 585 . 13 1 1 A 61 61 THR C C 61 174.470 175.207 -0.737 1
1 586 . 13 1 1 A 61 61 THR CA C 61 62.795 60.739 2.056 1
1 587 . 13 1 1 A 61 61 THR CB C 61 70.637 69.490 1.147 1
1 589 . 13 1 1 A 61 61 THR N N 61 112.095 114.930 -2.835 1
1 590 . 13 1 1 A 62 62 VAL H H 62 7.788 8.236 -0.448 1
1 591 . 13 1 1 A 62 62 VAL HA H 62 4.243 4.414 -0.171 1
1 596 . 13 1 1 A 62 62 VAL CA C 62 62.733 63.023 -0.290 1
1 597 . 13 1 1 A 62 62 VAL CB C 62 33.693 34.221 -0.528 1
1 599 . 13 1 1 A 62 62 VAL N N 62 120.973 121.618 -0.645 1
1 600 . 13 1 1 A 63 63 SER H H 63 8.052 8.019 0.033 1
1 601 . 13 1 1 A 63 63 SER HA H 63 4.665 4.634 0.031 1
1 604 . 13 1 1 A 63 63 SER CA C 63 57.747 57.686 0.061 1
1 605 . 13 1 1 A 63 63 SER CB C 63 64.991 62.320 2.671 1
1 606 . 13 1 1 A 63 63 SER N N 63 119.427 115.113 4.314 1
1 607 . 13 1 1 A 64 64 ILE H H 64 8.191 7.553 0.638 1
1 608 . 13 1 1 A 64 64 ILE HA H 64 4.313 4.866 -0.553 1
1 617 . 13 1 1 A 64 64 ILE CA C 64 59.873 57.480 2.393 1
1 618 . 13 1 1 A 64 64 ILE CB C 64 38.818 40.292 -1.474 1
1 621 . 13 1 1 A 64 64 ILE N N 64 122.947 118.146 4.801 1
1 622 . 13 1 1 A 65 65 PRO HA H 65 4.466 4.348 0.118 1
1 628 . 13 1 1 A 65 65 PRO CA C 65 64.303 64.764 -0.461 1
1 629 . 13 1 1 A 65 65 PRO CB C 65 32.672 31.730 0.942 1
1 632 . 13 1 1 A 66 66 SER H H 66 8.002 8.111 -0.109 1
1 633 . 13 1 1 A 66 66 SER HA H 66 4.498 4.104 0.394 1
1 635 . 13 1 1 A 66 66 SER CA C 66 58.702 59.465 -0.763 1
1 636 . 13 1 1 A 66 66 SER CB C 66 64.819 62.011 2.808 1
1 637 . 13 1 1 A 66 66 SER N N 66 112.889 112.548 0.341 1
1 638 . 13 1 1 A 67 67 LYS H H 67 8.137 7.816 0.321 1
1 639 . 13 1 1 A 67 67 LYS HA H 67 4.347 4.534 -0.187 1
1 641 . 13 1 1 A 67 67 LYS C C 67 176.555 176.078 0.477 1
1 642 . 13 1 1 A 67 67 LYS CA C 67 57.061 55.214 1.847 1
1 643 . 13 1 1 A 67 67 LYS CB C 67 33.669 33.529 0.140 1
1 647 . 13 1 1 A 67 67 LYS N N 67 122.114 120.032 2.082 1
1 648 . 13 1 1 A 68 68 LYS H H 68 8.118 8.057 0.061 1
1 649 . 13 1 1 A 68 68 LYS HA H 68 4.322 3.996 0.326 1
1 651 . 13 1 1 A 68 68 LYS C C 68 176.446 176.482 -0.036 1
1 652 . 13 1 1 A 68 68 LYS CA C 68 57.043 57.124 -0.081 1
1 653 . 13 1 1 A 68 68 LYS CB C 68 33.531 30.218 3.313 1
1 657 . 13 1 1 A 68 68 LYS N N 68 121.435 118.596 2.839 1
1 658 . 13 1 1 A 69 69 LYS H H 69 8.394 7.763 0.631 1
1 659 . 13 1 1 A 69 69 LYS HA H 69 4.351 4.360 -0.009 1
1 663 . 13 1 1 A 69 69 LYS C C 69 175.623 175.383 0.240 1
1 664 . 13 1 1 A 69 69 LYS CA C 69 56.762 56.354 0.408 1
1 665 . 13 1 1 A 69 69 LYS CB C 69 33.782 32.681 1.101 1
1 669 . 13 1 1 A 69 69 LYS N N 69 121.052 122.421 -1.369 1
1 670 . 13 1 1 A 70 70 ASN H H 70 8.014 8.776 -0.762 1
1 671 . 13 1 1 A 70 70 ASN HA H 70 4.515 5.445 -0.930 1
1 675 . 13 1 1 A 70 70 ASN CA C 70 55.331 51.953 3.378 1
1 676 . 13 1 1 A 70 70 ASN CB C 70 41.478 41.025 0.453 1
1 677 . 13 1 1 A 70 70 ASN N N 70 125.005 125.447 -0.442 1
1 679 . 13 1 1 A 71 71 GLY H H 71 8.255 8.523 -0.268 1
1 680 . 13 1 1 A 71 71 GLY HA2 H 71 3.986 4.198 -0.212 1
1 681 . 13 1 1 A 71 71 GLY C C 71 174.458 171.322 3.136 1
1 682 . 13 1 1 A 71 71 GLY CA C 71 46.110 45.753 0.357 1
1 683 . 13 1 1 A 71 71 GLY N N 71 114.247 107.590 6.657 1
1 684 . 13 1 1 A 72 72 ASN H H 72 8.462 8.491 -0.029 1
1 685 . 13 1 1 A 72 72 ASN HA H 72 4.796 5.508 -0.712 1
1 689 . 13 1 1 A 72 72 ASN C C 72 175.757 175.816 -0.059 1
1 690 . 13 1 1 A 72 72 ASN CA C 72 53.882 52.037 1.845 1
1 691 . 13 1 1 A 72 72 ASN CB C 72 39.885 41.338 -1.453 1
1 692 . 13 1 1 A 72 72 ASN N N 72 118.314 118.020 0.294 1
1 694 . 13 1 1 A 73 73 GLY H H 73 8.469 8.516 -0.047 1
1 695 . 13 1 1 A 73 73 GLY HA2 H 73 3.968 4.105 -0.137 1
1 696 . 13 1 1 A 73 73 GLY C C 73 174.791 173.750 1.041 1
1 697 . 13 1 1 A 73 73 GLY CA C 73 46.247 44.617 1.630 1
1 698 . 13 1 1 A 73 73 GLY N N 73 109.019 110.752 -1.733 1
1 699 . 13 1 1 A 74 74 GLY H H 74 7.946 8.483 -0.537 1
1 700 . 13 1 1 A 74 74 GLY HA2 H 74 4.112 4.149 -0.037 1
1 701 . 13 1 1 A 74 74 GLY HA3 H 74 4.177 4.204 -0.027 1
1 702 . 13 1 1 A 74 74 GLY C C 74 175.399 175.274 0.125 1
1 703 . 13 1 1 A 74 74 GLY CA C 74 45.825 44.363 1.462 1
1 704 . 13 1 1 A 74 74 GLY N N 74 108.672 111.764 -3.092 1
1 705 . 13 1 1 A 75 75 VAL H H 75 8.168 8.553 -0.385 1
1 706 . 13 1 1 A 75 75 VAL HA H 75 3.881 4.012 -0.131 1
1 714 . 13 1 1 A 75 75 VAL C C 75 176.466 177.154 -0.688 1
1 715 . 13 1 1 A 75 75 VAL CA C 75 64.845 63.794 1.051 1
1 716 . 13 1 1 A 75 75 VAL CB C 75 32.811 32.477 0.334 1
1 719 . 13 1 1 A 75 75 VAL N N 75 119.832 121.801 -1.969 1
1 720 . 13 1 1 A 76 76 PHE H H 76 8.138 7.761 0.377 1
1 721 . 13 1 1 A 76 76 PHE HA H 76 4.664 4.444 0.220 1
1 729 . 13 1 1 A 76 76 PHE C C 76 176.775 176.400 0.375 1
1 730 . 13 1 1 A 76 76 PHE CA C 76 58.810 60.451 -1.641 1
1 731 . 13 1 1 A 76 76 PHE CB C 76 39.177 39.923 -0.746 1
1 732 . 13 1 1 A 76 76 PHE N N 76 118.007 118.288 -0.281 1
1 733 . 13 1 1 A 77 77 GLY H H 77 8.080 8.880 -0.800 1
1 734 . 13 1 1 A 77 77 GLY HA2 H 77 3.948 3.911 0.037 1
1 735 . 13 1 1 A 77 77 GLY C C 77 175.581 175.231 0.350 1
1 736 . 13 1 1 A 77 77 GLY CA C 77 47.292 46.775 0.517 1
1 737 . 13 1 1 A 77 77 GLY N N 77 107.115 107.824 -0.709 1
1 738 . 13 1 1 A 78 78 GLY H H 78 8.136 8.512 -0.376 1
1 739 . 13 1 1 A 78 78 GLY HA2 H 78 4.011 3.761 0.250 1
1 740 . 13 1 1 A 78 78 GLY C C 78 175.337 175.046 0.291 1
1 741 . 13 1 1 A 78 78 GLY CA C 78 46.315 46.079 0.236 1
1 742 . 13 1 1 A 78 78 GLY N N 78 108.462 106.487 1.975 1
1 743 . 13 1 1 A 79 79 LEU H H 79 7.641 7.635 0.006 1
1 744 . 13 1 1 A 79 79 LEU HA H 79 4.022 4.180 -0.158 1
1 753 . 13 1 1 A 79 79 LEU C C 79 177.256 178.189 -0.933 1
1 754 . 13 1 1 A 79 79 LEU CA C 79 57.813 57.199 0.614 1
1 755 . 13 1 1 A 79 79 LEU CB C 79 43.316 42.401 0.915 1
1 759 . 13 1 1 A 79 79 LEU N N 79 121.664 122.217 -0.553 1
1 760 . 13 1 1 A 80 80 PHE H H 80 7.944 6.931 1.013 1
1 761 . 13 1 1 A 80 80 PHE HA H 80 4.633 4.824 -0.191 1
1 768 . 13 1 1 A 80 80 PHE C C 80 175.433 174.859 0.574 1
1 769 . 13 1 1 A 80 80 PHE CA C 80 58.208 56.901 1.307 1
1 770 . 13 1 1 A 80 80 PHE CB C 80 39.615 39.202 0.413 1
1 771 . 13 1 1 A 80 80 PHE N N 80 114.796 112.085 2.711 1
1 772 . 13 1 1 A 81 81 ALA H H 81 7.611 7.355 0.256 1
1 773 . 13 1 1 A 81 81 ALA HA H 81 4.364 4.356 0.008 1
1 777 . 13 1 1 A 81 81 ALA C C 81 177.568 176.592 0.976 1
1 778 . 13 1 1 A 81 81 ALA CA C 81 52.989 51.465 1.524 1
1 779 . 13 1 1 A 81 81 ALA CB C 81 19.902 20.595 -0.693 1
1 780 . 13 1 1 A 81 81 ALA N N 81 122.618 123.012 -0.394 1
1 781 . 13 1 1 A 82 82 LYS H H 82 8.155 9.053 -0.898 1
1 782 . 13 1 1 A 82 82 LYS HA H 82 4.313 4.604 -0.291 1
1 784 . 13 1 1 A 82 82 LYS C C 82 176.941 177.272 -0.331 1
1 785 . 13 1 1 A 82 82 LYS CA C 82 57.023 57.280 -0.257 1
1 786 . 13 1 1 A 82 82 LYS CB C 82 33.299 35.459 -2.160 1
1 789 . 13 1 1 A 82 82 LYS N N 82 120.345 118.823 1.522 1
1 790 . 13 1 1 A 83 83 LYS H H 83 8.256 8.166 0.090 1
1 791 . 13 1 1 A 83 83 LYS HA H 83 4.378 4.491 -0.113 1
1 794 . 13 1 1 A 83 83 LYS CA C 83 56.618 57.221 -0.603 1
1 795 . 13 1 1 A 83 83 LYS CB C 83 33.767 34.291 -0.524 1
1 799 . 13 1 1 A 83 83 LYS N N 83 122.901 115.680 7.221 1
1 6 . 14 1 1 A 2 2 ALA H H 2 8.448 8.619 -0.171 1
1 7 . 14 1 1 A 2 2 ALA HA H 2 4.314 4.462 -0.148 1
1 11 . 14 1 1 A 2 2 ALA C C 2 177.731 177.258 0.473 1
1 12 . 14 1 1 A 2 2 ALA CA C 2 53.711 51.619 2.092 1
1 13 . 14 1 1 A 2 2 ALA CB C 2 19.629 19.113 0.516 1
1 14 . 14 1 1 A 2 2 ALA N N 2 125.995 128.380 -2.385 1
1 15 . 14 1 1 A 3 3 ALA H H 3 8.148 8.459 -0.311 1
1 16 . 14 1 1 A 3 3 ALA HA H 3 4.292 4.682 -0.390 1
1 20 . 14 1 1 A 3 3 ALA C C 3 177.888 175.932 1.956 1
1 21 . 14 1 1 A 3 3 ALA CA C 3 53.439 50.829 2.610 1
1 22 . 14 1 1 A 3 3 ALA CB C 3 19.671 19.626 0.045 1
1 23 . 14 1 1 A 3 3 ALA N N 3 121.767 127.163 -5.396 1
1 24 . 14 1 1 A 4 4 LYS H H 4 8.047 7.795 0.252 1
1 25 . 14 1 1 A 4 4 LYS HA H 4 4.314 4.773 -0.459 1
1 27 . 14 1 1 A 4 4 LYS C C 4 177.363 176.298 1.065 1
1 28 . 14 1 1 A 4 4 LYS CA C 4 57.279 55.136 2.143 1
1 29 . 14 1 1 A 4 4 LYS CB C 4 33.570 33.672 -0.102 1
1 33 . 14 1 1 A 4 4 LYS N N 4 119.233 121.708 -2.475 1
1 34 . 14 1 1 A 5 5 GLY H H 5 8.317 8.655 -0.338 1
1 35 . 14 1 1 A 5 5 GLY HA2 H 5 4.039 4.069 -0.030 1
1 36 . 14 1 1 A 5 5 GLY C C 5 174.706 174.101 0.605 1
1 37 . 14 1 1 A 5 5 GLY CA C 5 46.246 44.462 1.784 1
1 38 . 14 1 1 A 5 5 GLY N N 5 109.070 113.690 -4.620 1
1 39 . 14 1 1 A 6 6 THR H H 6 8.002 8.621 -0.619 1
1 40 . 14 1 1 A 6 6 THR HA H 6 4.357 3.919 0.438 1
1 42 . 14 1 1 A 6 6 THR C C 6 174.839 174.859 -0.020 1
1 43 . 14 1 1 A 6 6 THR CA C 6 62.444 62.158 0.286 1
1 44 . 14 1 1 A 6 6 THR CB C 6 70.490 67.284 3.206 1
1 46 . 14 1 1 A 6 6 THR N N 6 112.809 112.322 0.487 1
1 47 . 14 1 1 A 7 7 ALA H H 7 8.309 8.201 0.108 1
1 48 . 14 1 1 A 7 7 ALA HA H 7 4.322 4.469 -0.147 1
1 52 . 14 1 1 A 7 7 ALA C C 7 178.032 177.005 1.027 1
1 53 . 14 1 1 A 7 7 ALA CA C 7 53.792 51.287 2.505 1
1 54 . 14 1 1 A 7 7 ALA CB C 7 19.733 18.906 0.827 1
1 55 . 14 1 1 A 7 7 ALA N N 7 125.292 124.186 1.106 1
1 56 . 14 1 1 A 8 8 GLU H H 8 8.358 7.653 0.705 1
1 57 . 14 1 1 A 8 8 GLU HA H 8 4.297 4.230 0.067 1
1 59 . 14 1 1 A 8 8 GLU C C 8 176.936 176.358 0.578 1
1 60 . 14 1 1 A 8 8 GLU CA C 8 57.618 56.898 0.720 1
1 61 . 14 1 1 A 8 8 GLU CB C 8 30.792 30.154 0.638 1
1 63 . 14 1 1 A 8 8 GLU N N 8 118.943 117.095 1.848 1
1 64 . 14 1 1 A 9 9 THR H H 9 7.974 8.885 -0.911 1
1 65 . 14 1 1 A 9 9 THR HA H 9 4.365 4.483 -0.118 1
1 67 . 14 1 1 A 9 9 THR C C 9 174.629 174.988 -0.359 1
1 68 . 14 1 1 A 9 9 THR CA C 9 62.617 64.649 -2.032 1
1 69 . 14 1 1 A 9 9 THR CB C 9 70.422 69.686 0.736 1
1 71 . 14 1 1 A 9 9 THR N N 9 113.540 117.397 -3.857 1
1 72 . 14 1 1 A 10 10 LYS H H 10 8.242 8.069 0.173 1
1 73 . 14 1 1 A 10 10 LYS HA H 10 4.314 4.329 -0.015 1
1 75 . 14 1 1 A 10 10 LYS C C 10 176.513 175.155 1.358 1
1 76 . 14 1 1 A 10 10 LYS CA C 10 57.173 57.917 -0.744 1
1 77 . 14 1 1 A 10 10 LYS CB C 10 33.511 31.950 1.561 1
1 81 . 14 1 1 A 10 10 LYS N N 10 123.339 121.791 1.548 1
1 82 . 14 1 1 A 11 11 GLN H H 11 8.381 8.425 -0.044 1
1 83 . 14 1 1 A 11 11 GLN HA H 11 4.322 5.128 -0.806 1
1 89 . 14 1 1 A 11 11 GLN C C 11 176.073 174.120 1.953 1
1 90 . 14 1 1 A 11 11 GLN CA C 11 56.689 54.780 1.909 1
1 91 . 14 1 1 A 11 11 GLN CB C 11 29.940 31.622 -1.682 1
1 93 . 14 1 1 A 11 11 GLN N N 11 120.885 118.093 2.792 1
1 95 . 14 1 1 A 12 12 GLU H H 12 8.407 8.652 -0.245 1
1 96 . 14 1 1 A 12 12 GLU HA H 12 4.304 5.150 -0.846 1
1 98 . 14 1 1 A 12 12 GLU C C 12 176.253 174.772 1.481 1
1 99 . 14 1 1 A 12 12 GLU CA C 12 57.536 54.671 2.865 1
1 100 . 14 1 1 A 12 12 GLU CB C 12 30.799 32.774 -1.975 1
1 102 . 14 1 1 A 12 12 GLU N N 12 121.152 119.579 1.573 1
1 103 . 14 1 1 A 13 13 LYS H H 13 8.220 8.631 -0.411 1
1 104 . 14 1 1 A 13 13 LYS HA H 13 4.542 4.727 -0.185 1
1 108 . 14 1 1 A 13 13 LYS C C 13 175.856 174.409 1.447 1
1 109 . 14 1 1 A 13 13 LYS CA C 13 56.335 55.600 0.735 1
1 110 . 14 1 1 A 13 13 LYS CB C 13 33.863 32.540 1.323 1
1 114 . 14 1 1 A 13 13 LYS N N 13 121.312 121.020 0.292 1
1 115 . 14 1 1 A 14 14 SER H H 14 8.447 8.287 0.160 1
1 116 . 14 1 1 A 14 14 SER HA H 14 4.639 4.846 -0.207 1
1 119 . 14 1 1 A 14 14 SER C C 14 175.529 175.618 -0.089 1
1 120 . 14 1 1 A 14 14 SER CA C 14 58.802 56.808 1.994 1
1 121 . 14 1 1 A 14 14 SER CB C 14 64.803 66.421 -1.618 1
1 122 . 14 1 1 A 14 14 SER N N 14 116.487 119.437 -2.950 1
1 123 . 14 1 1 A 15 15 PHE H H 15 8.802 9.153 -0.351 1
1 124 . 14 1 1 A 15 15 PHE HA H 15 4.448 4.253 0.195 1
1 129 . 14 1 1 A 15 15 PHE C C 15 176.935 177.529 -0.594 1
1 130 . 14 1 1 A 15 15 PHE CA C 15 62.188 60.397 1.791 1
1 131 . 14 1 1 A 15 15 PHE CB C 15 39.721 38.016 1.705 1
1 132 . 14 1 1 A 15 15 PHE N N 15 124.339 121.949 2.390 1
1 133 . 14 1 1 A 16 16 VAL H H 16 8.025 7.265 0.760 1
1 134 . 14 1 1 A 16 16 VAL HA H 16 3.490 3.569 -0.079 1
1 142 . 14 1 1 A 16 16 VAL C C 16 177.123 177.114 0.009 1
1 143 . 14 1 1 A 16 16 VAL CA C 16 67.959 64.396 3.563 1
1 144 . 14 1 1 A 16 16 VAL CB C 16 32.250 30.997 1.253 1
1 147 . 14 1 1 A 16 16 VAL N N 16 118.329 120.921 -2.592 1
1 148 . 14 1 1 A 17 17 ASP H H 17 7.926 8.039 -0.113 1
1 149 . 14 1 1 A 17 17 ASP HA H 17 4.354 4.248 0.106 1
1 152 . 14 1 1 A 17 17 ASP C C 17 179.625 178.430 1.195 1
1 153 . 14 1 1 A 17 17 ASP CA C 17 58.204 57.219 0.985 1
1 154 . 14 1 1 A 17 17 ASP CB C 17 41.324 41.403 -0.079 1
1 155 . 14 1 1 A 17 17 ASP N N 17 118.753 121.272 -2.519 1
1 156 . 14 1 1 A 18 18 TRP H H 18 8.174 7.345 0.829 1
1 157 . 14 1 1 A 18 18 TRP HA H 18 4.111 4.353 -0.242 1
1 163 . 14 1 1 A 18 18 TRP CA C 18 62.194 60.814 1.380 1
1 164 . 14 1 1 A 18 18 TRP CB C 18 29.150 29.660 -0.510 1
1 165 . 14 1 1 A 18 18 TRP N N 18 122.311 121.044 1.267 1
1 167 . 14 1 1 A 19 19 LEU H H 19 8.517 8.624 -0.107 1
1 168 . 14 1 1 A 19 19 LEU HA H 19 3.447 4.115 -0.668 1
1 178 . 14 1 1 A 19 19 LEU C C 19 179.115 178.347 0.768 1
1 179 . 14 1 1 A 19 19 LEU CA C 19 58.630 58.443 0.187 1
1 180 . 14 1 1 A 19 19 LEU CB C 19 42.676 41.945 0.731 1
1 184 . 14 1 1 A 19 19 LEU N N 19 120.943 121.258 -0.315 1
1 185 . 14 1 1 A 20 20 LEU H H 20 8.713 8.592 0.121 1
1 186 . 14 1 1 A 20 20 LEU HA H 20 3.972 3.993 -0.021 1
1 196 . 14 1 1 A 20 20 LEU C C 20 180.266 178.764 1.502 1
1 197 . 14 1 1 A 20 20 LEU CA C 20 58.318 57.723 0.595 1
1 198 . 14 1 1 A 20 20 LEU CB C 20 41.655 41.621 0.034 1
1 202 . 14 1 1 A 20 20 LEU N N 20 117.598 119.669 -2.071 1
1 203 . 14 1 1 A 21 21 GLY H H 21 7.783 8.157 -0.374 1
1 204 . 14 1 1 A 21 21 GLY HA2 H 21 3.829 3.526 0.303 1
1 205 . 14 1 1 A 21 21 GLY C C 21 175.390 175.219 0.171 1
1 206 . 14 1 1 A 21 21 GLY CA C 21 46.978 46.457 0.521 1
1 207 . 14 1 1 A 21 21 GLY N N 21 106.102 106.998 -0.896 1
1 208 . 14 1 1 A 22 22 LYS H H 22 7.443 7.957 -0.514 1
1 209 . 14 1 1 A 22 22 LYS HA H 22 4.090 4.024 0.066 1
1 217 . 14 1 1 A 22 22 LYS C C 22 177.806 177.905 -0.099 1
1 218 . 14 1 1 A 22 22 LYS CA C 22 56.974 58.949 -1.975 1
1 219 . 14 1 1 A 22 22 LYS CB C 22 32.718 32.387 0.331 1
1 223 . 14 1 1 A 22 22 LYS N N 22 118.883 120.793 -1.910 1
1 224 . 14 1 1 A 23 23 ILE H H 23 7.550 7.420 0.130 1
1 225 . 14 1 1 A 23 23 ILE HA H 23 4.165 4.155 0.010 1
1 235 . 14 1 1 A 23 23 ILE C C 23 175.996 175.297 0.699 1
1 236 . 14 1 1 A 23 23 ILE CA C 23 62.916 61.703 1.213 1
1 237 . 14 1 1 A 23 23 ILE CB C 23 39.444 38.590 0.854 1
1 241 . 14 1 1 A 23 23 ILE N N 23 114.457 117.055 -2.598 1
1 242 . 14 1 1 A 24 24 THR H H 24 7.778 8.006 -0.228 1
1 243 . 14 1 1 A 24 24 THR HA H 24 4.379 3.871 0.508 1
1 248 . 14 1 1 A 24 24 THR C C 24 174.616 174.161 0.455 1
1 249 . 14 1 1 A 24 24 THR CA C 24 62.699 62.874 -0.175 1
1 250 . 14 1 1 A 24 24 THR CB C 24 70.567 67.309 3.258 1
1 252 . 14 1 1 A 24 24 THR N N 24 113.224 112.884 0.340 1
1 253 . 14 1 1 A 25 25 LYS H H 25 7.956 8.335 -0.379 1
1 259 . 14 1 1 A 25 25 LYS CA C 25 56.696 58.537 -1.841 1
1 260 . 14 1 1 A 25 25 LYS CB C 25 33.428 31.227 2.201 1
1 262 . 14 1 1 A 25 25 LYS N N 25 122.468 113.509 8.959 1
1 263 . 14 1 1 A 26 26 GLU H H 26 8.392 8.123 0.269 1
1 264 . 14 1 1 A 26 26 GLU HA H 26 4.230 4.416 -0.186 1
1 268 . 14 1 1 A 26 26 GLU C C 26 176.320 175.644 0.676 1
1 269 . 14 1 1 A 26 26 GLU CA C 26 57.616 56.746 0.870 1
1 270 . 14 1 1 A 26 26 GLU CB C 26 30.854 32.484 -1.630 1
1 272 . 14 1 1 A 26 26 GLU N N 26 121.068 117.336 3.732 1
1 273 . 14 1 1 A 27 27 ASP H H 27 8.299 8.080 0.219 1
1 274 . 14 1 1 A 27 27 ASP HA H 27 4.496 4.083 0.413 1
1 276 . 14 1 1 A 27 27 ASP C C 27 175.931 175.918 0.013 1
1 277 . 14 1 1 A 27 27 ASP CA C 27 55.161 54.748 0.413 1
1 278 . 14 1 1 A 27 27 ASP CB C 27 41.532 39.167 2.365 1
1 279 . 14 1 1 A 27 27 ASP N N 27 119.412 117.049 2.363 1
1 280 . 14 1 1 A 28 28 GLN H H 28 8.108 8.185 -0.077 1
1 281 . 14 1 1 A 28 28 GLN HA H 28 4.215 4.587 -0.372 1
1 286 . 14 1 1 A 28 28 GLN C C 28 175.845 177.673 -1.828 1
1 287 . 14 1 1 A 28 28 GLN CA C 28 56.559 57.646 -1.087 1
1 288 . 14 1 1 A 28 28 GLN CB C 28 30.105 30.789 -0.684 1
1 290 . 14 1 1 A 28 28 GLN N N 28 119.037 121.111 -2.074 1
1 292 . 14 1 1 A 29 29 PHE H H 29 8.235 7.686 0.549 1
1 293 . 14 1 1 A 29 29 PHE HA H 29 4.514 4.865 -0.351 1
1 299 . 14 1 1 A 29 29 PHE C C 29 175.361 174.966 0.395 1
1 300 . 14 1 1 A 29 29 PHE CA C 29 58.810 57.022 1.788 1
1 301 . 14 1 1 A 29 29 PHE CB C 29 40.000 39.419 0.581 1
1 302 . 14 1 1 A 29 29 PHE N N 29 120.622 112.238 8.384 1
1 303 . 14 1 1 A 30 30 TYR H H 30 7.715 7.444 0.271 1
1 304 . 14 1 1 A 30 30 TYR HA H 30 4.508 4.198 0.310 1
1 310 . 14 1 1 A 30 30 TYR C C 30 175.416 177.534 -2.118 1
1 311 . 14 1 1 A 30 30 TYR CA C 30 58.544 58.594 -0.050 1
1 312 . 14 1 1 A 30 30 TYR CB C 30 39.613 39.010 0.603 1
1 313 . 14 1 1 A 30 30 TYR N N 30 119.864 120.665 -0.801 1
1 314 . 14 1 1 A 31 31 GLU H H 31 8.187 8.781 -0.594 1
1 315 . 14 1 1 A 31 31 GLU HA H 31 4.293 4.033 0.260 1
1 319 . 14 1 1 A 31 31 GLU C C 31 176.148 176.964 -0.816 1
1 320 . 14 1 1 A 31 31 GLU CA C 31 57.172 59.182 -2.010 1
1 321 . 14 1 1 A 31 31 GLU CB C 31 30.845 29.015 1.830 1
1 323 . 14 1 1 A 31 31 GLU N N 31 121.546 122.153 -0.607 1
1 324 . 14 1 1 A 32 32 THR H H 32 7.864 7.877 -0.013 1
1 325 . 14 1 1 A 32 32 THR HA H 32 4.359 4.469 -0.110 1
1 330 . 14 1 1 A 32 32 THR C C 32 173.970 174.059 -0.089 1
1 331 . 14 1 1 A 32 32 THR CA C 32 62.043 61.955 0.088 1
1 332 . 14 1 1 A 32 32 THR CB C 32 70.721 69.234 1.487 1
1 334 . 14 1 1 A 32 32 THR N N 32 113.695 113.983 -0.288 1
1 335 . 14 1 1 A 33 33 ASP H H 33 8.317 7.608 0.709 1
1 336 . 14 1 1 A 33 33 ASP HA H 33 4.880 5.139 -0.259 1
1 339 . 14 1 1 A 33 33 ASP CA C 33 53.661 51.208 2.453 1
1 340 . 14 1 1 A 33 33 ASP CB C 33 41.474 41.422 0.052 1
1 341 . 14 1 1 A 33 33 ASP N N 33 123.601 123.358 0.243 1
1 342 . 14 1 1 A 34 34 PRO HA H 34 4.408 4.769 -0.361 1
1 348 . 14 1 1 A 34 34 PRO C C 34 174.420 175.960 -1.540 1
1 349 . 14 1 1 A 34 34 PRO CA C 34 64.164 62.528 1.636 1
1 350 . 14 1 1 A 34 34 PRO CB C 34 32.774 30.101 2.673 1
1 353 . 14 1 1 A 35 35 ILE H H 35 8.143 8.016 0.127 1
1 354 . 14 1 1 A 35 35 ILE HA H 35 4.046 4.984 -0.938 1
1 364 . 14 1 1 A 35 35 ILE C C 35 176.474 174.865 1.609 1
1 365 . 14 1 1 A 35 35 ILE CA C 35 62.937 58.651 4.286 1
1 366 . 14 1 1 A 35 35 ILE CB C 35 39.275 41.739 -2.464 1
1 370 . 14 1 1 A 35 35 ILE N N 35 120.322 117.741 2.581 1
1 371 . 14 1 1 A 36 36 LEU H H 36 7.975 8.686 -0.711 1
1 372 . 14 1 1 A 36 36 LEU HA H 36 4.398 4.670 -0.272 1
1 381 . 14 1 1 A 36 36 LEU C C 36 177.299 177.197 0.102 1
1 382 . 14 1 1 A 36 36 LEU CA C 36 56.022 54.404 1.618 1
1 383 . 14 1 1 A 36 36 LEU CB C 36 42.837 42.754 0.083 1
1 387 . 14 1 1 A 36 36 LEU N N 36 121.023 127.099 -6.076 1
1 388 . 14 1 1 A 37 37 ARG H H 37 7.932 8.028 -0.096 1
1 389 . 14 1 1 A 37 37 ARG HA H 37 4.345 4.280 0.065 1
1 395 . 14 1 1 A 37 37 ARG C C 37 176.869 177.415 -0.546 1
1 396 . 14 1 1 A 37 37 ARG CA C 37 56.912 57.512 -0.600 1
1 397 . 14 1 1 A 37 37 ARG CB C 37 31.127 31.182 -0.055 1
1 400 . 14 1 1 A 37 37 ARG N N 37 118.673 118.875 -0.202 1
1 402 . 14 1 1 A 38 38 GLY H H 38 8.271 7.971 0.300 1
1 403 . 14 1 1 A 38 38 GLY HA2 H 38 3.986 4.003 -0.017 1
1 404 . 14 1 1 A 38 38 GLY C C 38 174.864 173.822 1.042 1
1 405 . 14 1 1 A 38 38 GLY CA C 38 46.258 45.591 0.667 1
1 406 . 14 1 1 A 38 38 GLY N N 38 108.377 106.990 1.387 1
1 407 . 14 1 1 A 39 39 GLY H H 39 8.218 7.951 0.267 1
1 408 . 14 1 1 A 39 39 GLY HA2 H 39 3.998 4.173 -0.175 1
1 409 . 14 1 1 A 39 39 GLY C C 39 174.158 172.182 1.976 1
1 410 . 14 1 1 A 39 39 GLY CA C 39 46.187 44.440 1.747 1
1 411 . 14 1 1 A 39 39 GLY N N 39 108.485 108.198 0.287 1
1 412 . 14 1 1 A 40 40 ASP H H 40 8.274 8.710 -0.436 1
1 413 . 14 1 1 A 40 40 ASP HA H 40 4.699 5.145 -0.446 1
1 415 . 14 1 1 A 40 40 ASP C C 40 176.791 176.302 0.489 1
1 416 . 14 1 1 A 40 40 ASP CA C 40 55.105 52.974 2.131 1
1 417 . 14 1 1 A 40 40 ASP CB C 40 41.715 41.774 -0.059 1
1 418 . 14 1 1 A 40 40 ASP N N 40 120.261 122.235 -1.974 1
1 419 . 14 1 1 A 41 41 VAL H H 41 8.071 8.406 -0.335 1
1 420 . 14 1 1 A 41 41 VAL HA H 41 3.993 3.626 0.367 1
1 425 . 14 1 1 A 41 41 VAL C C 41 176.869 176.011 0.858 1
1 426 . 14 1 1 A 41 41 VAL CA C 41 64.502 66.879 -2.377 1
1 427 . 14 1 1 A 41 41 VAL CB C 41 32.773 31.979 0.794 1
1 429 . 14 1 1 A 41 41 VAL N N 41 120.111 121.698 -1.587 1
1 430 . 14 1 1 A 42 42 LYS H H 42 8.213 7.922 0.291 1
1 431 . 14 1 1 A 42 42 LYS HA H 42 4.299 3.996 0.303 1
1 434 . 14 1 1 A 42 42 LYS C C 42 177.041 177.158 -0.117 1
1 435 . 14 1 1 A 42 42 LYS CA C 42 57.639 57.130 0.509 1
1 436 . 14 1 1 A 42 42 LYS CB C 42 33.227 30.767 2.460 1
1 440 . 14 1 1 A 42 42 LYS N N 42 121.557 121.985 -0.428 1
1 441 . 14 1 1 A 43 43 SER H H 43 8.126 7.918 0.208 1
1 442 . 14 1 1 A 43 43 SER HA H 43 4.452 4.146 0.306 1
1 444 . 14 1 1 A 43 43 SER C C 43 175.085 176.331 -1.246 1
1 445 . 14 1 1 A 43 43 SER CA C 43 59.403 61.725 -2.322 1
1 446 . 14 1 1 A 43 43 SER CB C 43 64.208 62.429 1.779 1
1 447 . 14 1 1 A 43 43 SER N N 43 115.295 119.875 -4.580 1
1 448 . 14 1 1 A 44 44 SER H H 44 8.251 8.029 0.222 1
1 449 . 14 1 1 A 44 44 SER HA H 44 4.479 4.364 0.115 1
1 451 . 14 1 1 A 44 44 SER C C 44 175.331 174.795 0.536 1
1 452 . 14 1 1 A 44 44 SER CA C 44 59.701 60.431 -0.730 1
1 453 . 14 1 1 A 44 44 SER CB C 44 64.453 63.472 0.981 1
1 454 . 14 1 1 A 44 44 SER N N 44 117.357 116.037 1.320 1
1 455 . 14 1 1 A 45 45 GLY H H 45 8.401 7.517 0.884 1
1 456 . 14 1 1 A 45 45 GLY HA2 H 45 4.030 4.188 -0.158 1
1 457 . 14 1 1 A 45 45 GLY C C 45 174.472 174.633 -0.161 1
1 458 . 14 1 1 A 45 45 GLY CA C 45 46.258 44.408 1.850 1
1 459 . 14 1 1 A 45 45 GLY N N 45 110.523 105.926 4.597 1
1 460 . 14 1 1 A 46 46 SER H H 46 8.177 8.499 -0.322 1
1 461 . 14 1 1 A 46 46 SER HA H 46 4.536 4.588 -0.052 1
1 463 . 14 1 1 A 46 46 SER C C 46 175.206 174.661 0.545 1
1 464 . 14 1 1 A 46 46 SER CA C 46 59.244 60.163 -0.919 1
1 465 . 14 1 1 A 46 46 SER CB C 46 64.484 63.677 0.807 1
1 466 . 14 1 1 A 46 46 SER N N 46 115.297 120.716 -5.419 1
1 467 . 14 1 1 A 47 47 THR H H 47 8.198 7.884 0.314 1
1 468 . 14 1 1 A 47 47 THR HA H 47 4.432 4.591 -0.159 1
1 470 . 14 1 1 A 47 47 THR C C 47 174.939 174.152 0.787 1
1 471 . 14 1 1 A 47 47 THR CA C 47 62.746 62.629 0.117 1
1 472 . 14 1 1 A 47 47 THR CB C 47 70.246 71.540 -1.294 1
1 474 . 14 1 1 A 47 47 THR N N 47 114.635 111.100 3.535 1
1 475 . 14 1 1 A 48 48 SER H H 48 8.228 8.193 0.035 1
1 476 . 14 1 1 A 48 48 SER HA H 48 4.473 4.387 0.086 1
1 478 . 14 1 1 A 48 48 SER C C 48 175.241 173.547 1.694 1
1 479 . 14 1 1 A 48 48 SER CA C 48 59.480 59.959 -0.479 1
1 480 . 14 1 1 A 48 48 SER CB C 48 64.429 62.602 1.827 1
1 481 . 14 1 1 A 48 48 SER N N 48 117.146 115.846 1.300 1
1 482 . 14 1 1 A 49 49 GLY H H 49 8.342 8.450 -0.108 1
1 483 . 14 1 1 A 49 49 GLY HA2 H 49 4.048 4.203 -0.155 1
1 484 . 14 1 1 A 49 49 GLY C C 49 174.776 174.131 0.645 1
1 485 . 14 1 1 A 49 49 GLY CA C 49 46.233 45.684 0.549 1
1 486 . 14 1 1 A 49 49 GLY N N 49 110.627 109.021 1.606 1
1 487 . 14 1 1 A 50 50 LYS H H 50 8.124 7.783 0.341 1
1 488 . 14 1 1 A 50 50 LYS HA H 50 4.302 4.521 -0.219 1
1 490 . 14 1 1 A 50 50 LYS C C 50 176.932 177.154 -0.222 1
1 491 . 14 1 1 A 50 50 LYS CA C 50 57.333 55.855 1.478 1
1 492 . 14 1 1 A 50 50 LYS CB C 50 33.497 32.697 0.800 1
1 496 . 14 1 1 A 50 50 LYS N N 50 120.037 122.089 -2.052 1
1 497 . 14 1 1 A 51 51 LYS H H 51 8.089 7.983 0.106 1
1 498 . 14 1 1 A 51 51 LYS HA H 51 4.325 4.529 -0.204 1
1 500 . 14 1 1 A 51 51 LYS C C 51 177.169 176.646 0.523 1
1 501 . 14 1 1 A 51 51 LYS CA C 51 57.251 55.407 1.844 1
1 502 . 14 1 1 A 51 51 LYS CB C 51 33.293 32.968 0.325 1
1 506 . 14 1 1 A 51 51 LYS N N 51 120.805 123.858 -3.053 1
1 507 . 14 1 1 A 52 52 GLY H H 52 8.304 7.692 0.612 1
1 508 . 14 1 1 A 52 52 GLY HA2 H 52 4.005 4.063 -0.058 1
1 509 . 14 1 1 A 52 52 GLY C C 52 174.545 175.208 -0.663 1
1 510 . 14 1 1 A 52 52 GLY CA C 52 46.250 45.472 0.778 1
1 511 . 14 1 1 A 52 52 GLY N N 52 109.109 105.793 3.316 1
1 512 . 14 1 1 A 53 53 GLY H H 53 8.201 8.095 0.106 1
1 513 . 14 1 1 A 53 53 GLY HA2 H 53 4.051 4.064 -0.013 1
1 514 . 14 1 1 A 53 53 GLY C C 53 174.771 175.110 -0.339 1
1 515 . 14 1 1 A 53 53 GLY CA C 53 46.204 44.404 1.800 1
1 516 . 14 1 1 A 53 53 GLY N N 53 108.474 108.114 0.360 1
1 517 . 14 1 1 A 54 54 THR H H 54 8.115 8.811 -0.696 1
1 518 . 14 1 1 A 54 54 THR HA H 54 4.442 4.141 0.301 1
1 522 . 14 1 1 A 54 54 THR C C 54 175.190 174.475 0.715 1
1 523 . 14 1 1 A 54 54 THR CA C 54 62.904 63.158 -0.254 1
1 524 . 14 1 1 A 54 54 THR CB C 54 70.261 66.621 3.640 1
1 525 . 14 1 1 A 54 54 THR N N 54 113.386 113.579 -0.193 1
1 526 . 14 1 1 A 55 55 THR H H 55 8.158 7.802 0.356 1
1 527 . 14 1 1 A 55 55 THR HA H 55 4.452 4.344 0.108 1
1 531 . 14 1 1 A 55 55 THR C C 55 175.050 174.611 0.439 1
1 532 . 14 1 1 A 55 55 THR CA C 55 62.740 63.776 -1.036 1
1 533 . 14 1 1 A 55 55 THR CB C 55 70.171 70.328 -0.157 1
1 535 . 14 1 1 A 55 55 THR N N 55 114.825 116.895 -2.070 1
1 536 . 14 1 1 A 56 56 SER H H 56 8.233 7.794 0.439 1
1 537 . 14 1 1 A 56 56 SER HA H 56 4.484 4.880 -0.396 1
1 539 . 14 1 1 A 56 56 SER C C 56 175.314 174.805 0.509 1
1 540 . 14 1 1 A 56 56 SER CA C 56 59.419 57.242 2.177 1
1 541 . 14 1 1 A 56 56 SER CB C 56 64.576 64.862 -0.286 1
1 542 . 14 1 1 A 56 56 SER N N 56 117.144 116.462 0.682 1
1 543 . 14 1 1 A 57 57 GLY H H 57 8.340 8.578 -0.238 1
1 544 . 14 1 1 A 57 57 GLY HA2 H 57 4.043 3.929 0.114 1
1 545 . 14 1 1 A 57 57 GLY C C 57 176.801 175.993 0.808 1
1 546 . 14 1 1 A 57 57 GLY CA C 57 45.927 45.563 0.364 1
1 547 . 14 1 1 A 57 57 GLY N N 57 110.613 115.140 -4.527 1
1 548 . 14 1 1 A 58 58 LYS H H 58 8.125 8.087 0.038 1
1 549 . 14 1 1 A 58 58 LYS HA H 58 4.313 4.052 0.261 1
1 554 . 14 1 1 A 58 58 LYS C C 58 176.220 177.091 -0.871 1
1 555 . 14 1 1 A 58 58 LYS CA C 58 57.524 59.298 -1.774 1
1 556 . 14 1 1 A 58 58 LYS CB C 58 33.485 32.172 1.313 1
1 560 . 14 1 1 A 58 58 LYS N N 58 120.526 120.544 -0.018 1
1 561 . 14 1 1 A 59 59 LYS H H 59 8.227 8.031 0.196 1
1 562 . 14 1 1 A 59 59 LYS HA H 59 4.202 4.142 0.060 1
1 567 . 14 1 1 A 59 59 LYS C C 59 177.075 176.485 0.590 1
1 568 . 14 1 1 A 59 59 LYS CA C 59 58.240 58.472 -0.232 1
1 569 . 14 1 1 A 59 59 LYS CB C 59 33.354 31.268 2.086 1
1 573 . 14 1 1 A 59 59 LYS N N 59 121.098 118.005 3.093 1
1 574 . 14 1 1 A 60 60 GLY H H 60 8.337 8.680 -0.343 1
1 575 . 14 1 1 A 60 60 GLY HA2 H 60 4.047 3.973 0.074 1
1 576 . 14 1 1 A 60 60 GLY C C 60 174.631 173.266 1.365 1
1 577 . 14 1 1 A 60 60 GLY CA C 60 46.282 45.363 0.919 1
1 578 . 14 1 1 A 60 60 GLY N N 60 109.436 110.440 -1.004 1
1 579 . 14 1 1 A 61 61 THR H H 61 7.947 7.989 -0.042 1
1 580 . 14 1 1 A 61 61 THR HA H 61 4.396 4.581 -0.185 1
1 585 . 14 1 1 A 61 61 THR C C 61 174.470 175.704 -1.234 1
1 586 . 14 1 1 A 61 61 THR CA C 61 62.795 61.203 1.592 1
1 587 . 14 1 1 A 61 61 THR CB C 61 70.637 70.164 0.473 1
1 589 . 14 1 1 A 61 61 THR N N 61 112.095 115.059 -2.964 1
1 590 . 14 1 1 A 62 62 VAL H H 62 7.788 8.201 -0.413 1
1 591 . 14 1 1 A 62 62 VAL HA H 62 4.243 4.378 -0.135 1
1 596 . 14 1 1 A 62 62 VAL CA C 62 62.733 62.946 -0.213 1
1 597 . 14 1 1 A 62 62 VAL CB C 62 33.693 34.005 -0.312 1
1 599 . 14 1 1 A 62 62 VAL N N 62 120.973 120.746 0.227 1
1 600 . 14 1 1 A 63 63 SER H H 63 8.052 7.762 0.290 1
1 601 . 14 1 1 A 63 63 SER HA H 63 4.665 4.697 -0.032 1
1 604 . 14 1 1 A 63 63 SER CA C 63 57.747 57.818 -0.071 1
1 605 . 14 1 1 A 63 63 SER CB C 63 64.991 64.249 0.742 1
1 606 . 14 1 1 A 63 63 SER N N 63 119.427 114.109 5.318 1
1 607 . 14 1 1 A 64 64 ILE H H 64 8.191 7.495 0.696 1
1 608 . 14 1 1 A 64 64 ILE HA H 64 4.313 4.556 -0.243 1
1 617 . 14 1 1 A 64 64 ILE CA C 64 59.873 57.623 2.250 1
1 618 . 14 1 1 A 64 64 ILE CB C 64 38.818 41.498 -2.680 1
1 621 . 14 1 1 A 64 64 ILE N N 64 122.947 122.096 0.851 1
1 622 . 14 1 1 A 65 65 PRO HA H 65 4.466 4.437 0.029 1
1 628 . 14 1 1 A 65 65 PRO CA C 65 64.303 63.701 0.602 1
1 629 . 14 1 1 A 65 65 PRO CB C 65 32.672 31.877 0.795 1
1 632 . 14 1 1 A 66 66 SER H H 66 8.002 8.131 -0.129 1
1 633 . 14 1 1 A 66 66 SER HA H 66 4.498 4.064 0.434 1
1 635 . 14 1 1 A 66 66 SER CA C 66 58.702 59.221 -0.519 1
1 636 . 14 1 1 A 66 66 SER CB C 66 64.819 62.051 2.768 1
1 637 . 14 1 1 A 66 66 SER N N 66 112.889 114.015 -1.126 1
1 638 . 14 1 1 A 67 67 LYS H H 67 8.137 8.417 -0.280 1
1 639 . 14 1 1 A 67 67 LYS HA H 67 4.347 4.356 -0.009 1
1 641 . 14 1 1 A 67 67 LYS C C 67 176.555 174.979 1.576 1
1 642 . 14 1 1 A 67 67 LYS CA C 67 57.061 57.932 -0.871 1
1 643 . 14 1 1 A 67 67 LYS CB C 67 33.669 31.831 1.838 1
1 647 . 14 1 1 A 67 67 LYS N N 67 122.114 122.036 0.078 1
1 648 . 14 1 1 A 68 68 LYS H H 68 8.118 8.417 -0.299 1
1 649 . 14 1 1 A 68 68 LYS HA H 68 4.322 4.154 0.168 1
1 651 . 14 1 1 A 68 68 LYS C C 68 176.446 178.087 -1.641 1
1 652 . 14 1 1 A 68 68 LYS CA C 68 57.043 56.836 0.207 1
1 653 . 14 1 1 A 68 68 LYS CB C 68 33.531 33.299 0.232 1
1 657 . 14 1 1 A 68 68 LYS N N 68 121.435 123.259 -1.824 1
1 658 . 14 1 1 A 69 69 LYS H H 69 8.394 8.527 -0.133 1
1 659 . 14 1 1 A 69 69 LYS HA H 69 4.351 4.064 0.287 1
1 663 . 14 1 1 A 69 69 LYS C C 69 175.623 176.875 -1.252 1
1 664 . 14 1 1 A 69 69 LYS CA C 69 56.762 58.911 -2.149 1
1 665 . 14 1 1 A 69 69 LYS CB C 69 33.782 31.927 1.855 1
1 669 . 14 1 1 A 69 69 LYS N N 69 121.052 125.564 -4.512 1
1 670 . 14 1 1 A 70 70 ASN H H 70 8.014 8.073 -0.059 1
1 671 . 14 1 1 A 70 70 ASN HA H 70 4.515 5.011 -0.496 1
1 675 . 14 1 1 A 70 70 ASN CA C 70 55.331 54.382 0.949 1
1 676 . 14 1 1 A 70 70 ASN CB C 70 41.478 41.411 0.067 1
1 677 . 14 1 1 A 70 70 ASN N N 70 125.005 116.384 8.621 1
1 679 . 14 1 1 A 71 71 GLY H H 71 8.255 7.718 0.537 1
1 680 . 14 1 1 A 71 71 GLY HA2 H 71 3.986 4.050 -0.064 1
1 681 . 14 1 1 A 71 71 GLY C C 71 174.458 174.225 0.233 1
1 682 . 14 1 1 A 71 71 GLY CA C 71 46.110 44.900 1.210 1
1 683 . 14 1 1 A 71 71 GLY N N 71 114.247 105.774 8.473 1
1 684 . 14 1 1 A 72 72 ASN H H 72 8.462 8.527 -0.065 1
1 685 . 14 1 1 A 72 72 ASN HA H 72 4.796 4.890 -0.094 1
1 689 . 14 1 1 A 72 72 ASN C C 72 175.757 175.404 0.353 1
1 690 . 14 1 1 A 72 72 ASN CA C 72 53.882 52.888 0.994 1
1 691 . 14 1 1 A 72 72 ASN CB C 72 39.885 40.358 -0.473 1
1 692 . 14 1 1 A 72 72 ASN N N 72 118.314 122.295 -3.981 1
1 694 . 14 1 1 A 73 73 GLY H H 73 8.469 7.857 0.612 1
1 695 . 14 1 1 A 73 73 GLY HA2 H 73 3.968 4.003 -0.035 1
1 696 . 14 1 1 A 73 73 GLY C C 73 174.791 173.324 1.467 1
1 697 . 14 1 1 A 73 73 GLY CA C 73 46.247 44.897 1.350 1
1 698 . 14 1 1 A 73 73 GLY N N 73 109.019 107.822 1.197 1
1 699 . 14 1 1 A 74 74 GLY H H 74 7.946 8.002 -0.056 1
1 700 . 14 1 1 A 74 74 GLY HA2 H 74 4.112 4.109 0.003 1
1 701 . 14 1 1 A 74 74 GLY HA3 H 74 4.177 4.159 0.018 1
1 702 . 14 1 1 A 74 74 GLY C C 74 175.399 173.767 1.632 1
1 703 . 14 1 1 A 74 74 GLY CA C 74 45.825 44.912 0.913 1
1 704 . 14 1 1 A 74 74 GLY N N 74 108.672 108.493 0.179 1
1 705 . 14 1 1 A 75 75 VAL H H 75 8.168 8.370 -0.202 1
1 706 . 14 1 1 A 75 75 VAL HA H 75 3.881 4.283 -0.402 1
1 714 . 14 1 1 A 75 75 VAL C C 75 176.466 175.718 0.748 1
1 715 . 14 1 1 A 75 75 VAL CA C 75 64.845 62.138 2.707 1
1 716 . 14 1 1 A 75 75 VAL CB C 75 32.811 32.643 0.168 1
1 719 . 14 1 1 A 75 75 VAL N N 75 119.832 118.784 1.048 1
1 720 . 14 1 1 A 76 76 PHE H H 76 8.138 7.501 0.637 1
1 721 . 14 1 1 A 76 76 PHE HA H 76 4.664 4.865 -0.201 1
1 729 . 14 1 1 A 76 76 PHE C C 76 176.775 174.379 2.396 1
1 730 . 14 1 1 A 76 76 PHE CA C 76 58.810 56.025 2.785 1
1 731 . 14 1 1 A 76 76 PHE CB C 76 39.177 41.203 -2.026 1
1 732 . 14 1 1 A 76 76 PHE N N 76 118.007 117.539 0.468 1
1 733 . 14 1 1 A 77 77 GLY H H 77 8.080 8.917 -0.837 1
1 734 . 14 1 1 A 77 77 GLY HA2 H 77 3.948 4.058 -0.110 1
1 735 . 14 1 1 A 77 77 GLY C C 77 175.581 175.652 -0.071 1
1 736 . 14 1 1 A 77 77 GLY CA C 77 47.292 46.348 0.944 1
1 737 . 14 1 1 A 77 77 GLY N N 77 107.115 108.411 -1.296 1
1 738 . 14 1 1 A 78 78 GLY H H 78 8.136 8.798 -0.662 1
1 739 . 14 1 1 A 78 78 GLY HA2 H 78 4.011 4.096 -0.085 1
1 740 . 14 1 1 A 78 78 GLY C C 78 175.337 175.383 -0.046 1
1 741 . 14 1 1 A 78 78 GLY CA C 78 46.315 45.653 0.662 1
1 742 . 14 1 1 A 78 78 GLY N N 78 108.462 107.362 1.100 1
1 743 . 14 1 1 A 79 79 LEU H H 79 7.641 8.109 -0.468 1
1 744 . 14 1 1 A 79 79 LEU HA H 79 4.022 4.408 -0.386 1
1 753 . 14 1 1 A 79 79 LEU C C 79 177.256 177.925 -0.669 1
1 754 . 14 1 1 A 79 79 LEU CA C 79 57.813 55.793 2.020 1
1 755 . 14 1 1 A 79 79 LEU CB C 79 43.316 43.240 0.076 1
1 759 . 14 1 1 A 79 79 LEU N N 79 121.664 118.022 3.642 1
1 760 . 14 1 1 A 80 80 PHE H H 80 7.944 7.888 0.056 1
1 761 . 14 1 1 A 80 80 PHE HA H 80 4.633 4.684 -0.051 1
1 768 . 14 1 1 A 80 80 PHE C C 80 175.433 174.946 0.487 1
1 769 . 14 1 1 A 80 80 PHE CA C 80 58.208 57.266 0.942 1
1 770 . 14 1 1 A 80 80 PHE CB C 80 39.615 38.748 0.867 1
1 771 . 14 1 1 A 80 80 PHE N N 80 114.796 115.407 -0.611 1
1 772 . 14 1 1 A 81 81 ALA H H 81 7.611 7.623 -0.012 1
1 773 . 14 1 1 A 81 81 ALA HA H 81 4.364 4.729 -0.365 1
1 777 . 14 1 1 A 81 81 ALA C C 81 177.568 176.437 1.131 1
1 778 . 14 1 1 A 81 81 ALA CA C 81 52.989 50.871 2.118 1
1 779 . 14 1 1 A 81 81 ALA CB C 81 19.902 21.600 -1.698 1
1 780 . 14 1 1 A 81 81 ALA N N 81 122.618 123.139 -0.521 1
1 781 . 14 1 1 A 82 82 LYS H H 82 8.155 8.633 -0.478 1
1 782 . 14 1 1 A 82 82 LYS HA H 82 4.313 4.740 -0.427 1
1 784 . 14 1 1 A 82 82 LYS C C 82 176.941 174.412 2.529 1
1 785 . 14 1 1 A 82 82 LYS CA C 82 57.023 56.300 0.723 1
1 786 . 14 1 1 A 82 82 LYS CB C 82 33.299 33.580 -0.281 1
1 789 . 14 1 1 A 82 82 LYS N N 82 120.345 118.700 1.645 1
1 790 . 14 1 1 A 83 83 LYS H H 83 8.256 8.513 -0.257 1
1 791 . 14 1 1 A 83 83 LYS HA H 83 4.378 4.665 -0.287 1
1 794 . 14 1 1 A 83 83 LYS CA C 83 56.618 55.273 1.345 1
1 795 . 14 1 1 A 83 83 LYS CB C 83 33.767 36.432 -2.665 1
1 799 . 14 1 1 A 83 83 LYS N N 83 122.901 125.588 -2.687 1
1 6 . 15 1 1 A 2 2 ALA H H 2 8.448 9.037 -0.589 1
1 7 . 15 1 1 A 2 2 ALA HA H 2 4.314 4.893 -0.579 1
1 11 . 15 1 1 A 2 2 ALA C C 2 177.731 175.932 1.799 1
1 12 . 15 1 1 A 2 2 ALA CA C 2 53.711 51.117 2.594 1
1 13 . 15 1 1 A 2 2 ALA CB C 2 19.629 21.426 -1.797 1
1 14 . 15 1 1 A 2 2 ALA N N 2 125.995 128.321 -2.326 1
1 15 . 15 1 1 A 3 3 ALA H H 3 8.148 8.691 -0.543 1
1 16 . 15 1 1 A 3 3 ALA HA H 3 4.292 5.079 -0.787 1
1 20 . 15 1 1 A 3 3 ALA C C 3 177.888 175.757 2.131 1
1 21 . 15 1 1 A 3 3 ALA CA C 3 53.439 51.298 2.141 1
1 22 . 15 1 1 A 3 3 ALA CB C 3 19.671 23.223 -3.552 1
1 23 . 15 1 1 A 3 3 ALA N N 3 121.767 120.016 1.751 1
1 24 . 15 1 1 A 4 4 LYS H H 4 8.047 8.782 -0.735 1
1 25 . 15 1 1 A 4 4 LYS HA H 4 4.314 4.547 -0.233 1
1 27 . 15 1 1 A 4 4 LYS C C 4 177.363 176.235 1.128 1
1 28 . 15 1 1 A 4 4 LYS CA C 4 57.279 55.085 2.194 1
1 29 . 15 1 1 A 4 4 LYS CB C 4 33.570 32.981 0.589 1
1 33 . 15 1 1 A 4 4 LYS N N 4 119.233 123.431 -4.198 1
1 34 . 15 1 1 A 5 5 GLY H H 5 8.317 8.223 0.094 1
1 35 . 15 1 1 A 5 5 GLY HA2 H 5 4.039 3.868 0.171 1
1 36 . 15 1 1 A 5 5 GLY C C 5 174.706 174.610 0.096 1
1 37 . 15 1 1 A 5 5 GLY CA C 5 46.246 46.341 -0.095 1
1 38 . 15 1 1 A 5 5 GLY N N 5 109.070 108.922 0.148 1
1 39 . 15 1 1 A 6 6 THR H H 6 8.002 8.197 -0.195 1
1 40 . 15 1 1 A 6 6 THR HA H 6 4.357 3.947 0.410 1
1 42 . 15 1 1 A 6 6 THR C C 6 174.839 174.630 0.209 1
1 43 . 15 1 1 A 6 6 THR CA C 6 62.444 62.857 -0.413 1
1 44 . 15 1 1 A 6 6 THR CB C 6 70.490 66.337 4.153 1
1 46 . 15 1 1 A 6 6 THR N N 6 112.809 105.938 6.871 1
1 47 . 15 1 1 A 7 7 ALA H H 7 8.309 7.856 0.453 1
1 48 . 15 1 1 A 7 7 ALA HA H 7 4.322 4.089 0.233 1
1 52 . 15 1 1 A 7 7 ALA C C 7 178.032 177.531 0.501 1
1 53 . 15 1 1 A 7 7 ALA CA C 7 53.792 54.956 -1.164 1
1 54 . 15 1 1 A 7 7 ALA CB C 7 19.733 19.306 0.427 1
1 55 . 15 1 1 A 7 7 ALA N N 7 125.292 122.774 2.518 1
1 56 . 15 1 1 A 8 8 GLU H H 8 8.358 7.627 0.731 1
1 57 . 15 1 1 A 8 8 GLU HA H 8 4.297 4.640 -0.343 1
1 59 . 15 1 1 A 8 8 GLU C C 8 176.936 173.987 2.949 1
1 60 . 15 1 1 A 8 8 GLU CA C 8 57.618 55.466 2.152 1
1 61 . 15 1 1 A 8 8 GLU CB C 8 30.792 31.264 -0.472 1
1 63 . 15 1 1 A 8 8 GLU N N 8 118.943 110.615 8.328 1
1 64 . 15 1 1 A 9 9 THR H H 9 7.974 8.595 -0.621 1
1 65 . 15 1 1 A 9 9 THR HA H 9 4.365 4.991 -0.626 1
1 67 . 15 1 1 A 9 9 THR C C 9 174.629 172.465 2.164 1
1 68 . 15 1 1 A 9 9 THR CA C 9 62.617 60.431 2.186 1
1 69 . 15 1 1 A 9 9 THR CB C 9 70.422 71.454 -1.032 1
1 71 . 15 1 1 A 9 9 THR N N 9 113.540 114.745 -1.205 1
1 72 . 15 1 1 A 10 10 LYS H H 10 8.242 8.633 -0.391 1
1 73 . 15 1 1 A 10 10 LYS HA H 10 4.314 4.667 -0.353 1
1 75 . 15 1 1 A 10 10 LYS C C 10 176.513 174.440 2.073 1
1 76 . 15 1 1 A 10 10 LYS CA C 10 57.173 55.857 1.316 1
1 77 . 15 1 1 A 10 10 LYS CB C 10 33.511 32.423 1.088 1
1 81 . 15 1 1 A 10 10 LYS N N 10 123.339 127.793 -4.454 1
1 82 . 15 1 1 A 11 11 GLN H H 11 8.381 8.781 -0.400 1
1 83 . 15 1 1 A 11 11 GLN HA H 11 4.322 5.166 -0.844 1
1 89 . 15 1 1 A 11 11 GLN C C 11 176.073 174.211 1.862 1
1 90 . 15 1 1 A 11 11 GLN CA C 11 56.689 54.098 2.591 1
1 91 . 15 1 1 A 11 11 GLN CB C 11 29.940 33.385 -3.445 1
1 93 . 15 1 1 A 11 11 GLN N N 11 120.885 119.025 1.860 1
1 95 . 15 1 1 A 12 12 GLU H H 12 8.407 8.794 -0.387 1
1 96 . 15 1 1 A 12 12 GLU HA H 12 4.304 4.704 -0.400 1
1 98 . 15 1 1 A 12 12 GLU C C 12 176.253 175.042 1.211 1
1 99 . 15 1 1 A 12 12 GLU CA C 12 57.536 56.708 0.828 1
1 100 . 15 1 1 A 12 12 GLU CB C 12 30.799 30.901 -0.102 1
1 102 . 15 1 1 A 12 12 GLU N N 12 121.152 119.916 1.236 1
1 103 . 15 1 1 A 13 13 LYS H H 13 8.220 8.825 -0.605 1
1 104 . 15 1 1 A 13 13 LYS HA H 13 4.542 4.606 -0.064 1
1 108 . 15 1 1 A 13 13 LYS C C 13 175.856 175.652 0.204 1
1 109 . 15 1 1 A 13 13 LYS CA C 13 56.335 55.745 0.590 1
1 110 . 15 1 1 A 13 13 LYS CB C 13 33.863 33.000 0.863 1
1 114 . 15 1 1 A 13 13 LYS N N 13 121.312 122.992 -1.680 1
1 115 . 15 1 1 A 14 14 SER H H 14 8.447 7.636 0.811 1
1 116 . 15 1 1 A 14 14 SER HA H 14 4.639 4.904 -0.265 1
1 119 . 15 1 1 A 14 14 SER C C 14 175.529 175.128 0.401 1
1 120 . 15 1 1 A 14 14 SER CA C 14 58.802 55.991 2.811 1
1 121 . 15 1 1 A 14 14 SER CB C 14 64.803 65.308 -0.505 1
1 122 . 15 1 1 A 14 14 SER N N 14 116.487 112.859 3.628 1
1 123 . 15 1 1 A 15 15 PHE H H 15 8.802 9.166 -0.364 1
1 124 . 15 1 1 A 15 15 PHE HA H 15 4.448 4.233 0.215 1
1 129 . 15 1 1 A 15 15 PHE C C 15 176.935 177.437 -0.502 1
1 130 . 15 1 1 A 15 15 PHE CA C 15 62.188 60.652 1.536 1
1 131 . 15 1 1 A 15 15 PHE CB C 15 39.721 37.991 1.730 1
1 132 . 15 1 1 A 15 15 PHE N N 15 124.339 125.429 -1.090 1
1 133 . 15 1 1 A 16 16 VAL H H 16 8.025 7.270 0.755 1
1 134 . 15 1 1 A 16 16 VAL HA H 16 3.490 3.620 -0.130 1
1 142 . 15 1 1 A 16 16 VAL C C 16 177.123 177.051 0.072 1
1 143 . 15 1 1 A 16 16 VAL CA C 16 67.959 64.492 3.467 1
1 144 . 15 1 1 A 16 16 VAL CB C 16 32.250 30.914 1.336 1
1 147 . 15 1 1 A 16 16 VAL N N 16 118.329 120.989 -2.660 1
1 148 . 15 1 1 A 17 17 ASP H H 17 7.926 8.175 -0.249 1
1 149 . 15 1 1 A 17 17 ASP HA H 17 4.354 4.271 0.083 1
1 152 . 15 1 1 A 17 17 ASP C C 17 179.625 178.355 1.270 1
1 153 . 15 1 1 A 17 17 ASP CA C 17 58.204 57.310 0.894 1
1 154 . 15 1 1 A 17 17 ASP CB C 17 41.324 41.137 0.187 1
1 155 . 15 1 1 A 17 17 ASP N N 17 118.753 122.197 -3.444 1
1 156 . 15 1 1 A 18 18 TRP H H 18 8.174 7.568 0.606 1
1 157 . 15 1 1 A 18 18 TRP HA H 18 4.111 4.343 -0.232 1
1 163 . 15 1 1 A 18 18 TRP CA C 18 62.194 60.852 1.342 1
1 164 . 15 1 1 A 18 18 TRP CB C 18 29.150 29.697 -0.547 1
1 165 . 15 1 1 A 18 18 TRP N N 18 122.311 121.680 0.631 1
1 167 . 15 1 1 A 19 19 LEU H H 19 8.517 8.753 -0.236 1
1 168 . 15 1 1 A 19 19 LEU HA H 19 3.447 4.147 -0.700 1
1 178 . 15 1 1 A 19 19 LEU C C 19 179.115 179.129 -0.014 1
1 179 . 15 1 1 A 19 19 LEU CA C 19 58.630 58.463 0.167 1
1 180 . 15 1 1 A 19 19 LEU CB C 19 42.676 42.120 0.556 1
1 184 . 15 1 1 A 19 19 LEU N N 19 120.943 121.203 -0.260 1
1 185 . 15 1 1 A 20 20 LEU H H 20 8.713 8.610 0.103 1
1 186 . 15 1 1 A 20 20 LEU HA H 20 3.972 4.023 -0.051 1
1 196 . 15 1 1 A 20 20 LEU C C 20 180.266 178.820 1.446 1
1 197 . 15 1 1 A 20 20 LEU CA C 20 58.318 57.689 0.629 1
1 198 . 15 1 1 A 20 20 LEU CB C 20 41.655 41.710 -0.055 1
1 202 . 15 1 1 A 20 20 LEU N N 20 117.598 119.395 -1.797 1
1 203 . 15 1 1 A 21 21 GLY H H 21 7.783 8.241 -0.458 1
1 204 . 15 1 1 A 21 21 GLY HA2 H 21 3.829 3.654 0.175 1
1 205 . 15 1 1 A 21 21 GLY C C 21 175.390 175.296 0.094 1
1 206 . 15 1 1 A 21 21 GLY CA C 21 46.978 46.544 0.434 1
1 207 . 15 1 1 A 21 21 GLY N N 21 106.102 107.066 -0.964 1
1 208 . 15 1 1 A 22 22 LYS H H 22 7.443 7.936 -0.493 1
1 209 . 15 1 1 A 22 22 LYS HA H 22 4.090 4.095 -0.005 1
1 217 . 15 1 1 A 22 22 LYS C C 22 177.806 178.915 -1.109 1
1 218 . 15 1 1 A 22 22 LYS CA C 22 56.974 59.087 -2.113 1
1 219 . 15 1 1 A 22 22 LYS CB C 22 32.718 32.181 0.537 1
1 223 . 15 1 1 A 22 22 LYS N N 22 118.883 120.912 -2.029 1
1 224 . 15 1 1 A 23 23 ILE H H 23 7.550 7.347 0.203 1
1 225 . 15 1 1 A 23 23 ILE HA H 23 4.165 3.917 0.248 1
1 235 . 15 1 1 A 23 23 ILE C C 23 175.996 177.763 -1.767 1
1 236 . 15 1 1 A 23 23 ILE CA C 23 62.916 63.915 -0.999 1
1 237 . 15 1 1 A 23 23 ILE CB C 23 39.444 38.163 1.281 1
1 241 . 15 1 1 A 23 23 ILE N N 23 114.457 120.252 -5.795 1
1 242 . 15 1 1 A 24 24 THR H H 24 7.778 7.989 -0.211 1
1 243 . 15 1 1 A 24 24 THR HA H 24 4.379 3.993 0.386 1
1 248 . 15 1 1 A 24 24 THR C C 24 174.616 175.364 -0.748 1
1 249 . 15 1 1 A 24 24 THR CA C 24 62.699 65.691 -2.992 1
1 250 . 15 1 1 A 24 24 THR CB C 24 70.567 68.105 2.462 1
1 252 . 15 1 1 A 24 24 THR N N 24 113.224 111.801 1.423 1
1 253 . 15 1 1 A 25 25 LYS H H 25 7.956 7.459 0.497 1
1 259 . 15 1 1 A 25 25 LYS CA C 25 56.696 54.737 1.959 1
1 260 . 15 1 1 A 25 25 LYS CB C 25 33.428 33.840 -0.412 1
1 262 . 15 1 1 A 25 25 LYS N N 25 122.468 120.198 2.270 1
1 263 . 15 1 1 A 26 26 GLU H H 26 8.392 8.933 -0.541 1
1 264 . 15 1 1 A 26 26 GLU HA H 26 4.230 4.542 -0.312 1
1 268 . 15 1 1 A 26 26 GLU C C 26 176.320 175.069 1.251 1
1 269 . 15 1 1 A 26 26 GLU CA C 26 57.616 56.156 1.460 1
1 270 . 15 1 1 A 26 26 GLU CB C 26 30.854 29.509 1.345 1
1 272 . 15 1 1 A 26 26 GLU N N 26 121.068 120.729 0.339 1
1 273 . 15 1 1 A 27 27 ASP H H 27 8.299 8.024 0.275 1
1 274 . 15 1 1 A 27 27 ASP HA H 27 4.496 4.137 0.359 1
1 276 . 15 1 1 A 27 27 ASP C C 27 175.931 175.263 0.668 1
1 277 . 15 1 1 A 27 27 ASP CA C 27 55.161 55.086 0.075 1
1 278 . 15 1 1 A 27 27 ASP CB C 27 41.532 39.335 2.197 1
1 279 . 15 1 1 A 27 27 ASP N N 27 119.412 116.093 3.319 1
1 280 . 15 1 1 A 28 28 GLN H H 28 8.108 8.156 -0.048 1
1 281 . 15 1 1 A 28 28 GLN HA H 28 4.215 4.340 -0.125 1
1 286 . 15 1 1 A 28 28 GLN C C 28 175.845 175.982 -0.137 1
1 287 . 15 1 1 A 28 28 GLN CA C 28 56.559 56.531 0.028 1
1 288 . 15 1 1 A 28 28 GLN CB C 28 30.105 29.746 0.359 1
1 290 . 15 1 1 A 28 28 GLN N N 28 119.037 119.057 -0.020 1
1 292 . 15 1 1 A 29 29 PHE H H 29 8.235 8.646 -0.411 1
1 293 . 15 1 1 A 29 29 PHE HA H 29 4.514 4.888 -0.374 1
1 299 . 15 1 1 A 29 29 PHE C C 29 175.361 175.147 0.214 1
1 300 . 15 1 1 A 29 29 PHE CA C 29 58.810 57.408 1.402 1
1 301 . 15 1 1 A 29 29 PHE CB C 29 40.000 40.962 -0.962 1
1 302 . 15 1 1 A 29 29 PHE N N 29 120.622 123.324 -2.702 1
1 303 . 15 1 1 A 30 30 TYR H H 30 7.715 6.994 0.721 1
1 304 . 15 1 1 A 30 30 TYR HA H 30 4.508 4.118 0.390 1
1 310 . 15 1 1 A 30 30 TYR C C 30 175.416 175.353 0.063 1
1 311 . 15 1 1 A 30 30 TYR CA C 30 58.544 60.121 -1.577 1
1 312 . 15 1 1 A 30 30 TYR CB C 30 39.613 37.435 2.178 1
1 313 . 15 1 1 A 30 30 TYR N N 30 119.864 115.271 4.593 1
1 314 . 15 1 1 A 31 31 GLU H H 31 8.187 8.894 -0.707 1
1 315 . 15 1 1 A 31 31 GLU HA H 31 4.293 4.284 0.009 1
1 319 . 15 1 1 A 31 31 GLU C C 31 176.148 179.287 -3.139 1
1 320 . 15 1 1 A 31 31 GLU CA C 31 57.172 58.700 -1.528 1
1 321 . 15 1 1 A 31 31 GLU CB C 31 30.845 29.855 0.990 1
1 323 . 15 1 1 A 31 31 GLU N N 31 121.546 121.327 0.219 1
1 324 . 15 1 1 A 32 32 THR H H 32 7.864 7.973 -0.109 1
1 325 . 15 1 1 A 32 32 THR HA H 32 4.359 4.100 0.259 1
1 330 . 15 1 1 A 32 32 THR C C 32 173.970 173.836 0.134 1
1 331 . 15 1 1 A 32 32 THR CA C 32 62.043 65.291 -3.248 1
1 332 . 15 1 1 A 32 32 THR CB C 32 70.721 69.310 1.411 1
1 334 . 15 1 1 A 32 32 THR N N 32 113.695 115.136 -1.441 1
1 335 . 15 1 1 A 33 33 ASP H H 33 8.317 7.993 0.324 1
1 336 . 15 1 1 A 33 33 ASP HA H 33 4.880 4.391 0.489 1
1 339 . 15 1 1 A 33 33 ASP CA C 33 53.661 54.729 -1.068 1
1 340 . 15 1 1 A 33 33 ASP CB C 33 41.474 39.515 1.959 1
1 341 . 15 1 1 A 33 33 ASP N N 33 123.601 119.818 3.783 1
1 342 . 15 1 1 A 34 34 PRO HA H 34 4.408 4.665 -0.257 1
1 348 . 15 1 1 A 34 34 PRO C C 34 174.420 176.993 -2.573 1
1 349 . 15 1 1 A 34 34 PRO CA C 34 64.164 62.294 1.870 1
1 350 . 15 1 1 A 34 34 PRO CB C 34 32.774 29.371 3.403 1
1 353 . 15 1 1 A 35 35 ILE H H 35 8.143 8.397 -0.254 1
1 354 . 15 1 1 A 35 35 ILE HA H 35 4.046 4.402 -0.356 1
1 364 . 15 1 1 A 35 35 ILE C C 35 176.474 177.135 -0.661 1
1 365 . 15 1 1 A 35 35 ILE CA C 35 62.937 61.675 1.262 1
1 366 . 15 1 1 A 35 35 ILE CB C 35 39.275 39.392 -0.117 1
1 370 . 15 1 1 A 35 35 ILE N N 35 120.322 121.888 -1.566 1
1 371 . 15 1 1 A 36 36 LEU H H 36 7.975 8.053 -0.078 1
1 372 . 15 1 1 A 36 36 LEU HA H 36 4.398 3.986 0.412 1
1 381 . 15 1 1 A 36 36 LEU C C 36 177.299 176.976 0.323 1
1 382 . 15 1 1 A 36 36 LEU CA C 36 56.022 57.346 -1.324 1
1 383 . 15 1 1 A 36 36 LEU CB C 36 42.837 40.672 2.165 1
1 387 . 15 1 1 A 36 36 LEU N N 36 121.023 118.409 2.614 1
1 388 . 15 1 1 A 37 37 ARG H H 37 7.932 8.445 -0.513 1
1 389 . 15 1 1 A 37 37 ARG HA H 37 4.345 4.476 -0.131 1
1 395 . 15 1 1 A 37 37 ARG C C 37 176.869 176.699 0.170 1
1 396 . 15 1 1 A 37 37 ARG CA C 37 56.912 56.025 0.887 1
1 397 . 15 1 1 A 37 37 ARG CB C 37 31.127 32.253 -1.126 1
1 400 . 15 1 1 A 37 37 ARG N N 37 118.673 117.683 0.990 1
1 402 . 15 1 1 A 38 38 GLY H H 38 8.271 7.478 0.793 1
1 403 . 15 1 1 A 38 38 GLY HA2 H 38 3.986 4.083 -0.097 1
1 404 . 15 1 1 A 38 38 GLY C C 38 174.864 174.652 0.212 1
1 405 . 15 1 1 A 38 38 GLY CA C 38 46.258 45.221 1.037 1
1 406 . 15 1 1 A 38 38 GLY N N 38 108.377 108.166 0.211 1
1 407 . 15 1 1 A 39 39 GLY H H 39 8.218 8.433 -0.215 1
1 408 . 15 1 1 A 39 39 GLY HA2 H 39 3.998 3.935 0.063 1
1 409 . 15 1 1 A 39 39 GLY C C 39 174.158 173.792 0.366 1
1 410 . 15 1 1 A 39 39 GLY CA C 39 46.187 46.607 -0.420 1
1 411 . 15 1 1 A 39 39 GLY N N 39 108.485 107.407 1.078 1
1 412 . 15 1 1 A 40 40 ASP H H 40 8.274 7.939 0.335 1
1 413 . 15 1 1 A 40 40 ASP HA H 40 4.699 4.941 -0.242 1
1 415 . 15 1 1 A 40 40 ASP C C 40 176.791 177.026 -0.235 1
1 416 . 15 1 1 A 40 40 ASP CA C 40 55.105 55.486 -0.381 1
1 417 . 15 1 1 A 40 40 ASP CB C 40 41.715 42.486 -0.771 1
1 418 . 15 1 1 A 40 40 ASP N N 40 120.261 121.061 -0.800 1
1 419 . 15 1 1 A 41 41 VAL H H 41 8.071 8.083 -0.012 1
1 420 . 15 1 1 A 41 41 VAL HA H 41 3.993 3.918 0.075 1
1 425 . 15 1 1 A 41 41 VAL C C 41 176.869 176.402 0.467 1
1 426 . 15 1 1 A 41 41 VAL CA C 41 64.502 64.617 -0.115 1
1 427 . 15 1 1 A 41 41 VAL CB C 41 32.773 31.875 0.898 1
1 429 . 15 1 1 A 41 41 VAL N N 41 120.111 119.120 0.991 1
1 430 . 15 1 1 A 42 42 LYS H H 42 8.213 7.544 0.669 1
1 431 . 15 1 1 A 42 42 LYS HA H 42 4.299 4.342 -0.043 1
1 434 . 15 1 1 A 42 42 LYS C C 42 177.041 175.639 1.402 1
1 435 . 15 1 1 A 42 42 LYS CA C 42 57.639 55.319 2.320 1
1 436 . 15 1 1 A 42 42 LYS CB C 42 33.227 31.041 2.186 1
1 440 . 15 1 1 A 42 42 LYS N N 42 121.557 122.228 -0.671 1
1 441 . 15 1 1 A 43 43 SER H H 43 8.126 8.088 0.038 1
1 442 . 15 1 1 A 43 43 SER HA H 43 4.452 4.768 -0.316 1
1 444 . 15 1 1 A 43 43 SER C C 43 175.085 174.220 0.865 1
1 445 . 15 1 1 A 43 43 SER CA C 43 59.403 57.364 2.039 1
1 446 . 15 1 1 A 43 43 SER CB C 43 64.208 64.336 -0.128 1
1 447 . 15 1 1 A 43 43 SER N N 43 115.295 121.700 -6.405 1
1 448 . 15 1 1 A 44 44 SER H H 44 8.251 8.047 0.204 1
1 449 . 15 1 1 A 44 44 SER HA H 44 4.479 4.710 -0.231 1
1 451 . 15 1 1 A 44 44 SER C C 44 175.331 174.501 0.830 1
1 452 . 15 1 1 A 44 44 SER CA C 44 59.701 59.334 0.367 1
1 453 . 15 1 1 A 44 44 SER CB C 44 64.453 65.403 -0.950 1
1 454 . 15 1 1 A 44 44 SER N N 44 117.357 115.966 1.391 1
1 455 . 15 1 1 A 45 45 GLY H H 45 8.401 7.859 0.542 1
1 456 . 15 1 1 A 45 45 GLY HA2 H 45 4.030 3.961 0.069 1
1 457 . 15 1 1 A 45 45 GLY C C 45 174.472 174.144 0.328 1
1 458 . 15 1 1 A 45 45 GLY CA C 45 46.258 45.699 0.559 1
1 459 . 15 1 1 A 45 45 GLY N N 45 110.523 108.954 1.569 1
1 460 . 15 1 1 A 46 46 SER H H 46 8.177 8.783 -0.606 1
1 461 . 15 1 1 A 46 46 SER HA H 46 4.536 4.729 -0.193 1
1 463 . 15 1 1 A 46 46 SER C C 46 175.206 173.806 1.400 1
1 464 . 15 1 1 A 46 46 SER CA C 46 59.244 58.959 0.285 1
1 465 . 15 1 1 A 46 46 SER CB C 46 64.484 66.314 -1.830 1
1 466 . 15 1 1 A 46 46 SER N N 46 115.297 119.569 -4.272 1
1 467 . 15 1 1 A 47 47 THR H H 47 8.198 8.128 0.070 1
1 468 . 15 1 1 A 47 47 THR HA H 47 4.432 4.999 -0.567 1
1 470 . 15 1 1 A 47 47 THR C C 47 174.939 173.234 1.705 1
1 471 . 15 1 1 A 47 47 THR CA C 47 62.746 59.950 2.796 1
1 472 . 15 1 1 A 47 47 THR CB C 47 70.246 71.985 -1.739 1
1 474 . 15 1 1 A 47 47 THR N N 47 114.635 111.599 3.036 1
1 475 . 15 1 1 A 48 48 SER H H 48 8.228 9.056 -0.828 1
1 476 . 15 1 1 A 48 48 SER HA H 48 4.473 5.238 -0.765 1
1 478 . 15 1 1 A 48 48 SER C C 48 175.241 173.309 1.932 1
1 479 . 15 1 1 A 48 48 SER CA C 48 59.480 55.706 3.774 1
1 480 . 15 1 1 A 48 48 SER CB C 48 64.429 66.044 -1.615 1
1 481 . 15 1 1 A 48 48 SER N N 48 117.146 117.200 -0.054 1
1 482 . 15 1 1 A 49 49 GLY H H 49 8.342 8.481 -0.139 1
1 483 . 15 1 1 A 49 49 GLY HA2 H 49 4.048 4.292 -0.244 1
1 484 . 15 1 1 A 49 49 GLY C C 49 174.776 173.596 1.180 1
1 485 . 15 1 1 A 49 49 GLY CA C 49 46.233 45.536 0.697 1
1 486 . 15 1 1 A 49 49 GLY N N 49 110.627 109.778 0.849 1
1 487 . 15 1 1 A 50 50 LYS H H 50 8.124 8.786 -0.662 1
1 488 . 15 1 1 A 50 50 LYS HA H 50 4.302 4.476 -0.174 1
1 490 . 15 1 1 A 50 50 LYS C C 50 176.932 175.484 1.448 1
1 491 . 15 1 1 A 50 50 LYS CA C 50 57.333 57.512 -0.179 1
1 492 . 15 1 1 A 50 50 LYS CB C 50 33.497 34.575 -1.078 1
1 496 . 15 1 1 A 50 50 LYS N N 50 120.037 121.569 -1.532 1
1 497 . 15 1 1 A 51 51 LYS H H 51 8.089 7.617 0.472 1
1 498 . 15 1 1 A 51 51 LYS HA H 51 4.325 4.764 -0.439 1
1 500 . 15 1 1 A 51 51 LYS C C 51 177.169 176.021 1.148 1
1 501 . 15 1 1 A 51 51 LYS CA C 51 57.251 54.689 2.562 1
1 502 . 15 1 1 A 51 51 LYS CB C 51 33.293 35.866 -2.573 1
1 506 . 15 1 1 A 51 51 LYS N N 51 120.805 116.976 3.829 1
1 507 . 15 1 1 A 52 52 GLY H H 52 8.304 8.541 -0.237 1
1 508 . 15 1 1 A 52 52 GLY HA2 H 52 4.005 4.147 -0.142 1
1 509 . 15 1 1 A 52 52 GLY C C 52 174.545 174.037 0.508 1
1 510 . 15 1 1 A 52 52 GLY CA C 52 46.250 45.491 0.759 1
1 511 . 15 1 1 A 52 52 GLY N N 52 109.109 108.565 0.544 1
1 512 . 15 1 1 A 53 53 GLY H H 53 8.201 8.077 0.124 1
1 513 . 15 1 1 A 53 53 GLY HA2 H 53 4.051 4.095 -0.044 1
1 514 . 15 1 1 A 53 53 GLY C C 53 174.771 172.697 2.074 1
1 515 . 15 1 1 A 53 53 GLY CA C 53 46.204 45.151 1.053 1
1 516 . 15 1 1 A 53 53 GLY N N 53 108.474 107.217 1.257 1
1 517 . 15 1 1 A 54 54 THR H H 54 8.115 8.304 -0.189 1
1 518 . 15 1 1 A 54 54 THR HA H 54 4.442 4.386 0.056 1
1 522 . 15 1 1 A 54 54 THR C C 54 175.190 174.557 0.633 1
1 523 . 15 1 1 A 54 54 THR CA C 54 62.904 62.214 0.690 1
1 524 . 15 1 1 A 54 54 THR CB C 54 70.261 69.219 1.042 1
1 525 . 15 1 1 A 54 54 THR N N 54 113.386 114.872 -1.486 1
1 526 . 15 1 1 A 55 55 THR H H 55 8.158 8.989 -0.831 1
1 527 . 15 1 1 A 55 55 THR HA H 55 4.452 4.361 0.091 1
1 531 . 15 1 1 A 55 55 THR C C 55 175.050 174.641 0.409 1
1 532 . 15 1 1 A 55 55 THR CA C 55 62.740 63.419 -0.679 1
1 533 . 15 1 1 A 55 55 THR CB C 55 70.171 69.460 0.711 1
1 535 . 15 1 1 A 55 55 THR N N 55 114.825 119.443 -4.618 1
1 536 . 15 1 1 A 56 56 SER H H 56 8.233 7.912 0.321 1
1 537 . 15 1 1 A 56 56 SER HA H 56 4.484 4.787 -0.303 1
1 539 . 15 1 1 A 56 56 SER C C 56 175.314 172.935 2.379 1
1 540 . 15 1 1 A 56 56 SER CA C 56 59.419 57.410 2.009 1
1 541 . 15 1 1 A 56 56 SER CB C 56 64.576 65.608 -1.032 1
1 542 . 15 1 1 A 56 56 SER N N 56 117.144 111.678 5.466 1
1 543 . 15 1 1 A 57 57 GLY H H 57 8.340 8.437 -0.097 1
1 544 . 15 1 1 A 57 57 GLY HA2 H 57 4.043 4.206 -0.163 1
1 545 . 15 1 1 A 57 57 GLY C C 57 176.801 172.773 4.028 1
1 546 . 15 1 1 A 57 57 GLY CA C 57 45.927 44.037 1.890 1
1 547 . 15 1 1 A 57 57 GLY N N 57 110.613 107.159 3.454 1
1 548 . 15 1 1 A 58 58 LYS H H 58 8.125 8.326 -0.201 1
1 549 . 15 1 1 A 58 58 LYS HA H 58 4.313 4.326 -0.013 1
1 554 . 15 1 1 A 58 58 LYS C C 58 176.220 175.769 0.451 1
1 555 . 15 1 1 A 58 58 LYS CA C 58 57.524 56.589 0.935 1
1 556 . 15 1 1 A 58 58 LYS CB C 58 33.485 33.266 0.219 1
1 560 . 15 1 1 A 58 58 LYS N N 58 120.526 120.910 -0.384 1
1 561 . 15 1 1 A 59 59 LYS H H 59 8.227 8.534 -0.307 1
1 562 . 15 1 1 A 59 59 LYS HA H 59 4.202 4.941 -0.739 1
1 567 . 15 1 1 A 59 59 LYS C C 59 177.075 176.154 0.921 1
1 568 . 15 1 1 A 59 59 LYS CA C 59 58.240 54.836 3.404 1
1 569 . 15 1 1 A 59 59 LYS CB C 59 33.354 36.409 -3.055 1
1 573 . 15 1 1 A 59 59 LYS N N 59 121.098 123.179 -2.081 1
1 574 . 15 1 1 A 60 60 GLY H H 60 8.337 8.811 -0.474 1
1 575 . 15 1 1 A 60 60 GLY HA2 H 60 4.047 3.913 0.134 1
1 576 . 15 1 1 A 60 60 GLY C C 60 174.631 174.639 -0.008 1
1 577 . 15 1 1 A 60 60 GLY CA C 60 46.282 45.462 0.820 1
1 578 . 15 1 1 A 60 60 GLY N N 60 109.436 107.926 1.510 1
1 579 . 15 1 1 A 61 61 THR H H 61 7.947 7.762 0.185 1
1 580 . 15 1 1 A 61 61 THR HA H 61 4.396 4.782 -0.386 1
1 585 . 15 1 1 A 61 61 THR C C 61 174.470 174.857 -0.387 1
1 586 . 15 1 1 A 61 61 THR CA C 61 62.795 60.628 2.167 1
1 587 . 15 1 1 A 61 61 THR CB C 61 70.637 68.615 2.022 1
1 589 . 15 1 1 A 61 61 THR N N 61 112.095 112.673 -0.578 1
1 590 . 15 1 1 A 62 62 VAL H H 62 7.788 8.086 -0.298 1
1 591 . 15 1 1 A 62 62 VAL HA H 62 4.243 4.361 -0.118 1
1 596 . 15 1 1 A 62 62 VAL CA C 62 62.733 63.817 -1.084 1
1 597 . 15 1 1 A 62 62 VAL CB C 62 33.693 33.559 0.134 1
1 599 . 15 1 1 A 62 62 VAL N N 62 120.973 121.432 -0.459 1
1 600 . 15 1 1 A 63 63 SER H H 63 8.052 7.824 0.228 1
1 601 . 15 1 1 A 63 63 SER HA H 63 4.665 4.637 0.028 1
1 604 . 15 1 1 A 63 63 SER CA C 63 57.747 57.343 0.404 1
1 605 . 15 1 1 A 63 63 SER CB C 63 64.991 62.307 2.684 1
1 606 . 15 1 1 A 63 63 SER N N 63 119.427 115.153 4.274 1
1 607 . 15 1 1 A 64 64 ILE H H 64 8.191 7.764 0.427 1
1 608 . 15 1 1 A 64 64 ILE HA H 64 4.313 4.869 -0.556 1
1 617 . 15 1 1 A 64 64 ILE CA C 64 59.873 57.530 2.343 1
1 618 . 15 1 1 A 64 64 ILE CB C 64 38.818 40.241 -1.423 1
1 621 . 15 1 1 A 64 64 ILE N N 64 122.947 118.569 4.378 1
1 622 . 15 1 1 A 65 65 PRO HA H 65 4.466 4.320 0.146 1
1 628 . 15 1 1 A 65 65 PRO CA C 65 64.303 64.598 -0.295 1
1 629 . 15 1 1 A 65 65 PRO CB C 65 32.672 31.886 0.786 1
1 632 . 15 1 1 A 66 66 SER H H 66 8.002 8.040 -0.038 1
1 633 . 15 1 1 A 66 66 SER HA H 66 4.498 4.120 0.378 1
1 635 . 15 1 1 A 66 66 SER CA C 66 58.702 59.499 -0.797 1
1 636 . 15 1 1 A 66 66 SER CB C 66 64.819 62.183 2.636 1
1 637 . 15 1 1 A 66 66 SER N N 66 112.889 112.683 0.206 1
1 638 . 15 1 1 A 67 67 LYS H H 67 8.137 7.963 0.174 1
1 639 . 15 1 1 A 67 67 LYS HA H 67 4.347 4.503 -0.156 1
1 641 . 15 1 1 A 67 67 LYS C C 67 176.555 177.184 -0.629 1
1 642 . 15 1 1 A 67 67 LYS CA C 67 57.061 57.255 -0.194 1
1 643 . 15 1 1 A 67 67 LYS CB C 67 33.669 35.357 -1.688 1
1 647 . 15 1 1 A 67 67 LYS N N 67 122.114 118.911 3.203 1
1 648 . 15 1 1 A 68 68 LYS H H 68 8.118 7.822 0.296 1
1 649 . 15 1 1 A 68 68 LYS HA H 68 4.322 4.531 -0.209 1
1 651 . 15 1 1 A 68 68 LYS C C 68 176.446 176.241 0.205 1
1 652 . 15 1 1 A 68 68 LYS CA C 68 57.043 55.481 1.562 1
1 653 . 15 1 1 A 68 68 LYS CB C 68 33.531 32.711 0.820 1
1 657 . 15 1 1 A 68 68 LYS N N 68 121.435 116.669 4.766 1
1 658 . 15 1 1 A 69 69 LYS H H 69 8.394 8.501 -0.107 1
1 659 . 15 1 1 A 69 69 LYS HA H 69 4.351 3.971 0.380 1
1 663 . 15 1 1 A 69 69 LYS C C 69 175.623 175.771 -0.148 1
1 664 . 15 1 1 A 69 69 LYS CA C 69 56.762 58.420 -1.658 1
1 665 . 15 1 1 A 69 69 LYS CB C 69 33.782 31.752 2.030 1
1 669 . 15 1 1 A 69 69 LYS N N 69 121.052 116.161 4.891 1
1 670 . 15 1 1 A 70 70 ASN H H 70 8.014 8.821 -0.807 1
1 671 . 15 1 1 A 70 70 ASN HA H 70 4.515 4.695 -0.180 1
1 675 . 15 1 1 A 70 70 ASN CA C 70 55.331 55.197 0.134 1
1 676 . 15 1 1 A 70 70 ASN CB C 70 41.478 37.253 4.225 1
1 677 . 15 1 1 A 70 70 ASN N N 70 125.005 115.779 9.226 1
1 679 . 15 1 1 A 71 71 GLY H H 71 8.255 8.701 -0.446 1
1 680 . 15 1 1 A 71 71 GLY HA2 H 71 3.986 3.967 0.019 1
1 681 . 15 1 1 A 71 71 GLY C C 71 174.458 173.853 0.605 1
1 682 . 15 1 1 A 71 71 GLY CA C 71 46.110 45.213 0.897 1
1 683 . 15 1 1 A 71 71 GLY N N 71 114.247 111.269 2.978 1
1 684 . 15 1 1 A 72 72 ASN H H 72 8.462 8.443 0.019 1
1 685 . 15 1 1 A 72 72 ASN HA H 72 4.796 4.572 0.224 1
1 689 . 15 1 1 A 72 72 ASN C C 72 175.757 174.814 0.943 1
1 690 . 15 1 1 A 72 72 ASN CA C 72 53.882 55.425 -1.543 1
1 691 . 15 1 1 A 72 72 ASN CB C 72 39.885 37.277 2.608 1
1 692 . 15 1 1 A 72 72 ASN N N 72 118.314 116.596 1.718 1
1 694 . 15 1 1 A 73 73 GLY H H 73 8.469 8.698 -0.229 1
1 695 . 15 1 1 A 73 73 GLY HA2 H 73 3.968 4.131 -0.163 1
1 696 . 15 1 1 A 73 73 GLY C C 73 174.791 173.909 0.882 1
1 697 . 15 1 1 A 73 73 GLY CA C 73 46.247 45.682 0.565 1
1 698 . 15 1 1 A 73 73 GLY N N 73 109.019 107.712 1.307 1
1 699 . 15 1 1 A 74 74 GLY H H 74 7.946 7.477 0.469 1
1 700 . 15 1 1 A 74 74 GLY HA2 H 74 4.112 4.128 -0.016 1
1 701 . 15 1 1 A 74 74 GLY HA3 H 74 4.177 4.131 0.046 1
1 702 . 15 1 1 A 74 74 GLY C C 74 175.399 174.227 1.172 1
1 703 . 15 1 1 A 74 74 GLY CA C 74 45.825 45.840 -0.015 1
1 704 . 15 1 1 A 74 74 GLY N N 74 108.672 108.053 0.619 1
1 705 . 15 1 1 A 75 75 VAL H H 75 8.168 8.693 -0.525 1
1 706 . 15 1 1 A 75 75 VAL HA H 75 3.881 3.578 0.303 1
1 714 . 15 1 1 A 75 75 VAL C C 75 176.466 176.623 -0.157 1
1 715 . 15 1 1 A 75 75 VAL CA C 75 64.845 65.247 -0.402 1
1 716 . 15 1 1 A 75 75 VAL CB C 75 32.811 31.724 1.087 1
1 719 . 15 1 1 A 75 75 VAL N N 75 119.832 120.324 -0.492 1
1 720 . 15 1 1 A 76 76 PHE H H 76 8.138 7.883 0.255 1
1 721 . 15 1 1 A 76 76 PHE HA H 76 4.664 4.539 0.125 1
1 729 . 15 1 1 A 76 76 PHE C C 76 176.775 176.285 0.490 1
1 730 . 15 1 1 A 76 76 PHE CA C 76 58.810 59.557 -0.747 1
1 731 . 15 1 1 A 76 76 PHE CB C 76 39.177 40.440 -1.263 1
1 732 . 15 1 1 A 76 76 PHE N N 76 118.007 115.773 2.234 1
1 733 . 15 1 1 A 77 77 GLY H H 77 8.080 8.261 -0.181 1
1 734 . 15 1 1 A 77 77 GLY HA2 H 77 3.948 3.960 -0.012 1
1 735 . 15 1 1 A 77 77 GLY C C 77 175.581 174.818 0.763 1
1 736 . 15 1 1 A 77 77 GLY CA C 77 47.292 45.190 2.102 1
1 737 . 15 1 1 A 77 77 GLY N N 77 107.115 107.144 -0.029 1
1 738 . 15 1 1 A 78 78 GLY H H 78 8.136 8.057 0.079 1
1 739 . 15 1 1 A 78 78 GLY HA2 H 78 4.011 4.030 -0.019 1
1 740 . 15 1 1 A 78 78 GLY C C 78 175.337 175.251 0.086 1
1 741 . 15 1 1 A 78 78 GLY CA C 78 46.315 45.392 0.923 1
1 742 . 15 1 1 A 78 78 GLY N N 78 108.462 107.980 0.482 1
1 743 . 15 1 1 A 79 79 LEU H H 79 7.641 7.413 0.228 1
1 744 . 15 1 1 A 79 79 LEU HA H 79 4.022 4.093 -0.071 1
1 753 . 15 1 1 A 79 79 LEU C C 79 177.256 178.066 -0.810 1
1 754 . 15 1 1 A 79 79 LEU CA C 79 57.813 56.828 0.985 1
1 755 . 15 1 1 A 79 79 LEU CB C 79 43.316 41.643 1.673 1
1 759 . 15 1 1 A 79 79 LEU N N 79 121.664 121.428 0.236 1
1 760 . 15 1 1 A 80 80 PHE H H 80 7.944 6.990 0.954 1
1 761 . 15 1 1 A 80 80 PHE HA H 80 4.633 4.805 -0.172 1
1 768 . 15 1 1 A 80 80 PHE C C 80 175.433 175.704 -0.271 1
1 769 . 15 1 1 A 80 80 PHE CA C 80 58.208 56.865 1.343 1
1 770 . 15 1 1 A 80 80 PHE CB C 80 39.615 38.972 0.643 1
1 771 . 15 1 1 A 80 80 PHE N N 80 114.796 112.460 2.336 1
1 772 . 15 1 1 A 81 81 ALA H H 81 7.611 7.247 0.364 1
1 773 . 15 1 1 A 81 81 ALA HA H 81 4.364 4.227 0.137 1
1 777 . 15 1 1 A 81 81 ALA C C 81 177.568 177.151 0.417 1
1 778 . 15 1 1 A 81 81 ALA CA C 81 52.989 52.024 0.965 1
1 779 . 15 1 1 A 81 81 ALA CB C 81 19.902 20.162 -0.260 1
1 780 . 15 1 1 A 81 81 ALA N N 81 122.618 122.898 -0.280 1
1 781 . 15 1 1 A 82 82 LYS H H 82 8.155 8.756 -0.601 1
1 782 . 15 1 1 A 82 82 LYS HA H 82 4.313 4.289 0.024 1
1 784 . 15 1 1 A 82 82 LYS C C 82 176.941 174.854 2.087 1
1 785 . 15 1 1 A 82 82 LYS CA C 82 57.023 58.673 -1.650 1
1 786 . 15 1 1 A 82 82 LYS CB C 82 33.299 31.720 1.579 1
1 789 . 15 1 1 A 82 82 LYS N N 82 120.345 116.599 3.746 1
1 790 . 15 1 1 A 83 83 LYS H H 83 8.256 8.832 -0.576 1
1 791 . 15 1 1 A 83 83 LYS HA H 83 4.378 4.751 -0.373 1
1 794 . 15 1 1 A 83 83 LYS CA C 83 56.618 54.276 2.342 1
1 795 . 15 1 1 A 83 83 LYS CB C 83 33.767 35.039 -1.272 1
1 799 . 15 1 1 A 83 83 LYS N N 83 122.901 122.462 0.439 1
1 6 . 16 1 1 A 2 2 ALA H H 2 8.448 8.448 0.000 1
1 7 . 16 1 1 A 2 2 ALA HA H 2 4.314 4.696 -0.382 1
1 11 . 16 1 1 A 2 2 ALA C C 2 177.731 175.981 1.750 1
1 12 . 16 1 1 A 2 2 ALA CA C 2 53.711 51.373 2.338 1
1 13 . 16 1 1 A 2 2 ALA CB C 2 19.629 18.812 0.817 1
1 14 . 16 1 1 A 2 2 ALA N N 2 125.995 123.514 2.481 1
1 15 . 16 1 1 A 3 3 ALA H H 3 8.148 7.967 0.181 1
1 16 . 16 1 1 A 3 3 ALA HA H 3 4.292 4.328 -0.036 1
1 20 . 16 1 1 A 3 3 ALA C C 3 177.888 177.035 0.853 1
1 21 . 16 1 1 A 3 3 ALA CA C 3 53.439 52.708 0.731 1
1 22 . 16 1 1 A 3 3 ALA CB C 3 19.671 19.519 0.152 1
1 23 . 16 1 1 A 3 3 ALA N N 3 121.767 122.110 -0.343 1
1 24 . 16 1 1 A 4 4 LYS H H 4 8.047 8.761 -0.714 1
1 25 . 16 1 1 A 4 4 LYS HA H 4 4.314 4.690 -0.376 1
1 27 . 16 1 1 A 4 4 LYS C C 4 177.363 175.754 1.609 1
1 28 . 16 1 1 A 4 4 LYS CA C 4 57.279 55.691 1.588 1
1 29 . 16 1 1 A 4 4 LYS CB C 4 33.570 35.885 -2.315 1
1 33 . 16 1 1 A 4 4 LYS N N 4 119.233 120.786 -1.553 1
1 34 . 16 1 1 A 5 5 GLY H H 5 8.317 8.635 -0.318 1
1 35 . 16 1 1 A 5 5 GLY HA2 H 5 4.039 4.021 0.018 1
1 36 . 16 1 1 A 5 5 GLY C C 5 174.706 173.648 1.058 1
1 37 . 16 1 1 A 5 5 GLY CA C 5 46.246 45.481 0.765 1
1 38 . 16 1 1 A 5 5 GLY N N 5 109.070 113.969 -4.899 1
1 39 . 16 1 1 A 6 6 THR H H 6 8.002 7.463 0.539 1
1 40 . 16 1 1 A 6 6 THR HA H 6 4.357 4.718 -0.361 1
1 42 . 16 1 1 A 6 6 THR C C 6 174.839 174.827 0.012 1
1 43 . 16 1 1 A 6 6 THR CA C 6 62.444 59.678 2.766 1
1 44 . 16 1 1 A 6 6 THR CB C 6 70.490 68.833 1.657 1
1 46 . 16 1 1 A 6 6 THR N N 6 112.809 108.659 4.150 1
1 47 . 16 1 1 A 7 7 ALA H H 7 8.309 8.692 -0.383 1
1 48 . 16 1 1 A 7 7 ALA HA H 7 4.322 4.358 -0.036 1
1 52 . 16 1 1 A 7 7 ALA C C 7 178.032 177.768 0.264 1
1 53 . 16 1 1 A 7 7 ALA CA C 7 53.792 54.296 -0.504 1
1 54 . 16 1 1 A 7 7 ALA CB C 7 19.733 19.020 0.713 1
1 55 . 16 1 1 A 7 7 ALA N N 7 125.292 126.644 -1.352 1
1 56 . 16 1 1 A 8 8 GLU H H 8 8.358 7.844 0.514 1
1 57 . 16 1 1 A 8 8 GLU HA H 8 4.297 4.613 -0.316 1
1 59 . 16 1 1 A 8 8 GLU C C 8 176.936 175.565 1.371 1
1 60 . 16 1 1 A 8 8 GLU CA C 8 57.618 58.028 -0.410 1
1 61 . 16 1 1 A 8 8 GLU CB C 8 30.792 32.004 -1.212 1
1 63 . 16 1 1 A 8 8 GLU N N 8 118.943 114.625 4.318 1
1 64 . 16 1 1 A 9 9 THR H H 9 7.974 8.191 -0.217 1
1 65 . 16 1 1 A 9 9 THR HA H 9 4.365 4.903 -0.538 1
1 67 . 16 1 1 A 9 9 THR C C 9 174.629 173.118 1.511 1
1 68 . 16 1 1 A 9 9 THR CA C 9 62.617 60.405 2.212 1
1 69 . 16 1 1 A 9 9 THR CB C 9 70.422 72.110 -1.688 1
1 71 . 16 1 1 A 9 9 THR N N 9 113.540 110.332 3.208 1
1 72 . 16 1 1 A 10 10 LYS H H 10 8.242 8.622 -0.380 1
1 73 . 16 1 1 A 10 10 LYS HA H 10 4.314 4.632 -0.318 1
1 75 . 16 1 1 A 10 10 LYS C C 10 176.513 174.851 1.662 1
1 76 . 16 1 1 A 10 10 LYS CA C 10 57.173 55.757 1.416 1
1 77 . 16 1 1 A 10 10 LYS CB C 10 33.511 32.882 0.629 1
1 81 . 16 1 1 A 10 10 LYS N N 10 123.339 122.080 1.259 1
1 82 . 16 1 1 A 11 11 GLN H H 11 8.381 7.804 0.577 1
1 83 . 16 1 1 A 11 11 GLN HA H 11 4.322 4.856 -0.534 1
1 89 . 16 1 1 A 11 11 GLN C C 11 176.073 173.907 2.166 1
1 90 . 16 1 1 A 11 11 GLN CA C 11 56.689 54.379 2.310 1
1 91 . 16 1 1 A 11 11 GLN CB C 11 29.940 33.925 -3.985 1
1 93 . 16 1 1 A 11 11 GLN N N 11 120.885 118.401 2.484 1
1 95 . 16 1 1 A 12 12 GLU H H 12 8.407 8.937 -0.530 1
1 96 . 16 1 1 A 12 12 GLU HA H 12 4.304 5.028 -0.724 1
1 98 . 16 1 1 A 12 12 GLU C C 12 176.253 175.363 0.890 1
1 99 . 16 1 1 A 12 12 GLU CA C 12 57.536 54.865 2.671 1
1 100 . 16 1 1 A 12 12 GLU CB C 12 30.799 31.859 -1.060 1
1 102 . 16 1 1 A 12 12 GLU N N 12 121.152 118.168 2.984 1
1 103 . 16 1 1 A 13 13 LYS H H 13 8.220 8.966 -0.746 1
1 104 . 16 1 1 A 13 13 LYS HA H 13 4.542 4.506 0.036 1
1 108 . 16 1 1 A 13 13 LYS C C 13 175.856 175.819 0.037 1
1 109 . 16 1 1 A 13 13 LYS CA C 13 56.335 57.483 -1.148 1
1 110 . 16 1 1 A 13 13 LYS CB C 13 33.863 35.773 -1.910 1
1 114 . 16 1 1 A 13 13 LYS N N 13 121.312 123.835 -2.523 1
1 115 . 16 1 1 A 14 14 SER H H 14 8.447 8.008 0.439 1
1 116 . 16 1 1 A 14 14 SER HA H 14 4.639 4.873 -0.234 1
1 119 . 16 1 1 A 14 14 SER C C 14 175.529 175.195 0.334 1
1 120 . 16 1 1 A 14 14 SER CA C 14 58.802 57.204 1.598 1
1 121 . 16 1 1 A 14 14 SER CB C 14 64.803 65.795 -0.992 1
1 122 . 16 1 1 A 14 14 SER N N 14 116.487 113.089 3.398 1
1 123 . 16 1 1 A 15 15 PHE H H 15 8.802 9.076 -0.274 1
1 124 . 16 1 1 A 15 15 PHE HA H 15 4.448 4.202 0.246 1
1 129 . 16 1 1 A 15 15 PHE C C 15 176.935 177.527 -0.592 1
1 130 . 16 1 1 A 15 15 PHE CA C 15 62.188 61.556 0.632 1
1 131 . 16 1 1 A 15 15 PHE CB C 15 39.721 39.253 0.468 1
1 132 . 16 1 1 A 15 15 PHE N N 15 124.339 123.473 0.866 1
1 133 . 16 1 1 A 16 16 VAL H H 16 8.025 8.488 -0.463 1
1 134 . 16 1 1 A 16 16 VAL HA H 16 3.490 3.678 -0.188 1
1 142 . 16 1 1 A 16 16 VAL C C 16 177.123 177.303 -0.180 1
1 143 . 16 1 1 A 16 16 VAL CA C 16 67.959 65.349 2.610 1
1 144 . 16 1 1 A 16 16 VAL CB C 16 32.250 31.107 1.143 1
1 147 . 16 1 1 A 16 16 VAL N N 16 118.329 119.094 -0.765 1
1 148 . 16 1 1 A 17 17 ASP H H 17 7.926 8.417 -0.491 1
1 149 . 16 1 1 A 17 17 ASP HA H 17 4.354 4.241 0.113 1
1 152 . 16 1 1 A 17 17 ASP C C 17 179.625 178.586 1.039 1
1 153 . 16 1 1 A 17 17 ASP CA C 17 58.204 57.581 0.623 1
1 154 . 16 1 1 A 17 17 ASP CB C 17 41.324 40.688 0.636 1
1 155 . 16 1 1 A 17 17 ASP N N 17 118.753 121.232 -2.479 1
1 156 . 16 1 1 A 18 18 TRP H H 18 8.174 7.670 0.504 1
1 157 . 16 1 1 A 18 18 TRP HA H 18 4.111 4.267 -0.156 1
1 163 . 16 1 1 A 18 18 TRP CA C 18 62.194 60.659 1.535 1
1 164 . 16 1 1 A 18 18 TRP CB C 18 29.150 29.147 0.003 1
1 165 . 16 1 1 A 18 18 TRP N N 18 122.311 122.788 -0.477 1
1 167 . 16 1 1 A 19 19 LEU H H 19 8.517 8.161 0.356 1
1 168 . 16 1 1 A 19 19 LEU HA H 19 3.447 3.544 -0.097 1
1 178 . 16 1 1 A 19 19 LEU C C 19 179.115 178.148 0.967 1
1 179 . 16 1 1 A 19 19 LEU CA C 19 58.630 58.098 0.532 1
1 180 . 16 1 1 A 19 19 LEU CB C 19 42.676 41.590 1.086 1
1 184 . 16 1 1 A 19 19 LEU N N 19 120.943 120.710 0.233 1
1 185 . 16 1 1 A 20 20 LEU H H 20 8.713 8.379 0.334 1
1 186 . 16 1 1 A 20 20 LEU HA H 20 3.972 4.102 -0.130 1
1 196 . 16 1 1 A 20 20 LEU C C 20 180.266 178.971 1.295 1
1 197 . 16 1 1 A 20 20 LEU CA C 20 58.318 57.424 0.894 1
1 198 . 16 1 1 A 20 20 LEU CB C 20 41.655 41.957 -0.302 1
1 202 . 16 1 1 A 20 20 LEU N N 20 117.598 120.159 -2.561 1
1 203 . 16 1 1 A 21 21 GLY H H 21 7.783 8.338 -0.555 1
1 204 . 16 1 1 A 21 21 GLY HA2 H 21 3.829 3.817 0.012 1
1 205 . 16 1 1 A 21 21 GLY C C 21 175.390 175.952 -0.562 1
1 206 . 16 1 1 A 21 21 GLY CA C 21 46.978 47.126 -0.148 1
1 207 . 16 1 1 A 21 21 GLY N N 21 106.102 107.236 -1.134 1
1 208 . 16 1 1 A 22 22 LYS H H 22 7.443 7.888 -0.445 1
1 209 . 16 1 1 A 22 22 LYS HA H 22 4.090 4.067 0.023 1
1 217 . 16 1 1 A 22 22 LYS C C 22 177.806 178.886 -1.080 1
1 218 . 16 1 1 A 22 22 LYS CA C 22 56.974 59.025 -2.051 1
1 219 . 16 1 1 A 22 22 LYS CB C 22 32.718 32.328 0.390 1
1 223 . 16 1 1 A 22 22 LYS N N 22 118.883 121.053 -2.170 1
1 224 . 16 1 1 A 23 23 ILE H H 23 7.550 7.868 -0.318 1
1 225 . 16 1 1 A 23 23 ILE HA H 23 4.165 3.734 0.431 1
1 235 . 16 1 1 A 23 23 ILE C C 23 175.996 178.004 -2.008 1
1 236 . 16 1 1 A 23 23 ILE CA C 23 62.916 64.806 -1.890 1
1 237 . 16 1 1 A 23 23 ILE CB C 23 39.444 37.793 1.651 1
1 241 . 16 1 1 A 23 23 ILE N N 23 114.457 121.022 -6.565 1
1 242 . 16 1 1 A 24 24 THR H H 24 7.778 8.200 -0.422 1
1 243 . 16 1 1 A 24 24 THR HA H 24 4.379 4.292 0.087 1
1 248 . 16 1 1 A 24 24 THR C C 24 174.616 174.756 -0.140 1
1 249 . 16 1 1 A 24 24 THR CA C 24 62.699 62.924 -0.225 1
1 250 . 16 1 1 A 24 24 THR CB C 24 70.567 69.013 1.554 1
1 252 . 16 1 1 A 24 24 THR N N 24 113.224 112.970 0.254 1
1 253 . 16 1 1 A 25 25 LYS H H 25 7.956 7.797 0.159 1
1 259 . 16 1 1 A 25 25 LYS CA C 25 56.696 58.376 -1.680 1
1 260 . 16 1 1 A 25 25 LYS CB C 25 33.428 31.525 1.903 1
1 262 . 16 1 1 A 25 25 LYS N N 25 122.468 118.821 3.647 1
1 263 . 16 1 1 A 26 26 GLU H H 26 8.392 8.772 -0.380 1
1 264 . 16 1 1 A 26 26 GLU HA H 26 4.230 4.499 -0.269 1
1 268 . 16 1 1 A 26 26 GLU C C 26 176.320 175.076 1.244 1
1 269 . 16 1 1 A 26 26 GLU CA C 26 57.616 55.541 2.075 1
1 270 . 16 1 1 A 26 26 GLU CB C 26 30.854 30.026 0.828 1
1 272 . 16 1 1 A 26 26 GLU N N 26 121.068 122.745 -1.677 1
1 273 . 16 1 1 A 27 27 ASP H H 27 8.299 8.242 0.057 1
1 274 . 16 1 1 A 27 27 ASP HA H 27 4.496 4.306 0.190 1
1 276 . 16 1 1 A 27 27 ASP C C 27 175.931 175.652 0.279 1
1 277 . 16 1 1 A 27 27 ASP CA C 27 55.161 55.109 0.052 1
1 278 . 16 1 1 A 27 27 ASP CB C 27 41.532 39.342 2.190 1
1 279 . 16 1 1 A 27 27 ASP N N 27 119.412 116.321 3.091 1
1 280 . 16 1 1 A 28 28 GLN H H 28 8.108 8.565 -0.457 1
1 281 . 16 1 1 A 28 28 GLN HA H 28 4.215 3.919 0.296 1
1 286 . 16 1 1 A 28 28 GLN C C 28 175.845 174.813 1.032 1
1 287 . 16 1 1 A 28 28 GLN CA C 28 56.559 58.788 -2.229 1
1 288 . 16 1 1 A 28 28 GLN CB C 28 30.105 27.066 3.039 1
1 290 . 16 1 1 A 28 28 GLN N N 28 119.037 116.244 2.793 1
1 292 . 16 1 1 A 29 29 PHE H H 29 8.235 8.368 -0.133 1
1 293 . 16 1 1 A 29 29 PHE HA H 29 4.514 4.773 -0.259 1
1 299 . 16 1 1 A 29 29 PHE C C 29 175.361 174.526 0.835 1
1 300 . 16 1 1 A 29 29 PHE CA C 29 58.810 58.997 -0.187 1
1 301 . 16 1 1 A 29 29 PHE CB C 29 40.000 40.934 -0.934 1
1 302 . 16 1 1 A 29 29 PHE N N 29 120.622 115.248 5.374 1
1 303 . 16 1 1 A 30 30 TYR H H 30 7.715 8.198 -0.483 1
1 304 . 16 1 1 A 30 30 TYR HA H 30 4.508 4.417 0.091 1
1 310 . 16 1 1 A 30 30 TYR C C 30 175.416 175.261 0.155 1
1 311 . 16 1 1 A 30 30 TYR CA C 30 58.544 57.429 1.115 1
1 312 . 16 1 1 A 30 30 TYR CB C 30 39.613 40.144 -0.531 1
1 313 . 16 1 1 A 30 30 TYR N N 30 119.864 116.617 3.247 1
1 314 . 16 1 1 A 31 31 GLU H H 31 8.187 9.219 -1.032 1
1 315 . 16 1 1 A 31 31 GLU HA H 31 4.293 4.414 -0.121 1
1 319 . 16 1 1 A 31 31 GLU C C 31 176.148 177.051 -0.903 1
1 320 . 16 1 1 A 31 31 GLU CA C 31 57.172 57.743 -0.571 1
1 321 . 16 1 1 A 31 31 GLU CB C 31 30.845 32.624 -1.779 1
1 323 . 16 1 1 A 31 31 GLU N N 31 121.546 120.919 0.627 1
1 324 . 16 1 1 A 32 32 THR H H 32 7.864 7.813 0.051 1
1 325 . 16 1 1 A 32 32 THR HA H 32 4.359 4.649 -0.290 1
1 330 . 16 1 1 A 32 32 THR C C 32 173.970 173.710 0.260 1
1 331 . 16 1 1 A 32 32 THR CA C 32 62.043 61.156 0.887 1
1 332 . 16 1 1 A 32 32 THR CB C 32 70.721 69.946 0.775 1
1 334 . 16 1 1 A 32 32 THR N N 32 113.695 110.288 3.407 1
1 335 . 16 1 1 A 33 33 ASP H H 33 8.317 8.259 0.058 1
1 336 . 16 1 1 A 33 33 ASP HA H 33 4.880 4.345 0.535 1
1 339 . 16 1 1 A 33 33 ASP CA C 33 53.661 54.966 -1.305 1
1 340 . 16 1 1 A 33 33 ASP CB C 33 41.474 39.388 2.086 1
1 341 . 16 1 1 A 33 33 ASP N N 33 123.601 120.828 2.773 1
1 342 . 16 1 1 A 34 34 PRO HA H 34 4.408 4.675 -0.267 1
1 348 . 16 1 1 A 34 34 PRO C C 34 174.420 175.989 -1.569 1
1 349 . 16 1 1 A 34 34 PRO CA C 34 64.164 62.826 1.338 1
1 350 . 16 1 1 A 34 34 PRO CB C 34 32.774 31.377 1.397 1
1 353 . 16 1 1 A 35 35 ILE H H 35 8.143 8.208 -0.065 1
1 354 . 16 1 1 A 35 35 ILE HA H 35 4.046 5.115 -1.069 1
1 364 . 16 1 1 A 35 35 ILE C C 35 176.474 174.916 1.558 1
1 365 . 16 1 1 A 35 35 ILE CA C 35 62.937 59.013 3.924 1
1 366 . 16 1 1 A 35 35 ILE CB C 35 39.275 42.381 -3.106 1
1 370 . 16 1 1 A 35 35 ILE N N 35 120.322 117.504 2.818 1
1 371 . 16 1 1 A 36 36 LEU H H 36 7.975 8.685 -0.710 1
1 372 . 16 1 1 A 36 36 LEU HA H 36 4.398 4.555 -0.157 1
1 381 . 16 1 1 A 36 36 LEU C C 36 177.299 177.382 -0.083 1
1 382 . 16 1 1 A 36 36 LEU CA C 36 56.022 55.962 0.060 1
1 383 . 16 1 1 A 36 36 LEU CB C 36 42.837 43.995 -1.158 1
1 387 . 16 1 1 A 36 36 LEU N N 36 121.023 121.486 -0.463 1
1 388 . 16 1 1 A 37 37 ARG H H 37 7.932 8.119 -0.187 1
1 389 . 16 1 1 A 37 37 ARG HA H 37 4.345 4.484 -0.139 1
1 395 . 16 1 1 A 37 37 ARG C C 37 176.869 176.259 0.610 1
1 396 . 16 1 1 A 37 37 ARG CA C 37 56.912 54.929 1.983 1
1 397 . 16 1 1 A 37 37 ARG CB C 37 31.127 30.302 0.825 1
1 400 . 16 1 1 A 37 37 ARG N N 37 118.673 114.909 3.764 1
1 402 . 16 1 1 A 38 38 GLY H H 38 8.271 7.966 0.305 1
1 403 . 16 1 1 A 38 38 GLY HA2 H 38 3.986 4.033 -0.047 1
1 404 . 16 1 1 A 38 38 GLY C C 38 174.864 174.029 0.835 1
1 405 . 16 1 1 A 38 38 GLY CA C 38 46.258 45.346 0.912 1
1 406 . 16 1 1 A 38 38 GLY N N 38 108.377 109.600 -1.223 1
1 407 . 16 1 1 A 39 39 GLY H H 39 8.218 8.039 0.179 1
1 408 . 16 1 1 A 39 39 GLY HA2 H 39 3.998 4.083 -0.085 1
1 409 . 16 1 1 A 39 39 GLY C C 39 174.158 173.733 0.425 1
1 410 . 16 1 1 A 39 39 GLY CA C 39 46.187 43.979 2.208 1
1 411 . 16 1 1 A 39 39 GLY N N 39 108.485 107.207 1.278 1
1 412 . 16 1 1 A 40 40 ASP H H 40 8.274 8.936 -0.662 1
1 413 . 16 1 1 A 40 40 ASP HA H 40 4.699 4.255 0.444 1
1 415 . 16 1 1 A 40 40 ASP C C 40 176.791 176.148 0.643 1
1 416 . 16 1 1 A 40 40 ASP CA C 40 55.105 54.801 0.304 1
1 417 . 16 1 1 A 40 40 ASP CB C 40 41.715 39.227 2.488 1
1 418 . 16 1 1 A 40 40 ASP N N 40 120.261 119.353 0.908 1
1 419 . 16 1 1 A 41 41 VAL H H 41 8.071 7.848 0.223 1
1 420 . 16 1 1 A 41 41 VAL HA H 41 3.993 3.894 0.099 1
1 425 . 16 1 1 A 41 41 VAL C C 41 176.869 175.767 1.102 1
1 426 . 16 1 1 A 41 41 VAL CA C 41 64.502 64.701 -0.199 1
1 427 . 16 1 1 A 41 41 VAL CB C 41 32.773 32.198 0.575 1
1 429 . 16 1 1 A 41 41 VAL N N 41 120.111 121.296 -1.185 1
1 430 . 16 1 1 A 42 42 LYS H H 42 8.213 7.629 0.584 1
1 431 . 16 1 1 A 42 42 LYS HA H 42 4.299 4.408 -0.109 1
1 434 . 16 1 1 A 42 42 LYS C C 42 177.041 176.228 0.813 1
1 435 . 16 1 1 A 42 42 LYS CA C 42 57.639 56.007 1.632 1
1 436 . 16 1 1 A 42 42 LYS CB C 42 33.227 33.222 0.005 1
1 440 . 16 1 1 A 42 42 LYS N N 42 121.557 118.025 3.532 1
1 441 . 16 1 1 A 43 43 SER H H 43 8.126 8.599 -0.473 1
1 442 . 16 1 1 A 43 43 SER HA H 43 4.452 4.270 0.182 1
1 444 . 16 1 1 A 43 43 SER C C 43 175.085 172.615 2.470 1
1 445 . 16 1 1 A 43 43 SER CA C 43 59.403 60.179 -0.776 1
1 446 . 16 1 1 A 43 43 SER CB C 43 64.208 61.886 2.322 1
1 447 . 16 1 1 A 43 43 SER N N 43 115.295 116.376 -1.081 1
1 448 . 16 1 1 A 44 44 SER H H 44 8.251 8.812 -0.561 1
1 449 . 16 1 1 A 44 44 SER HA H 44 4.479 5.215 -0.736 1
1 451 . 16 1 1 A 44 44 SER C C 44 175.331 173.271 2.060 1
1 452 . 16 1 1 A 44 44 SER CA C 44 59.701 58.028 1.673 1
1 453 . 16 1 1 A 44 44 SER CB C 44 64.453 65.677 -1.224 1
1 454 . 16 1 1 A 44 44 SER N N 44 117.357 117.410 -0.053 1
1 455 . 16 1 1 A 45 45 GLY H H 45 8.401 8.748 -0.347 1
1 456 . 16 1 1 A 45 45 GLY HA2 H 45 4.030 4.226 -0.196 1
1 457 . 16 1 1 A 45 45 GLY C C 45 174.472 172.806 1.666 1
1 458 . 16 1 1 A 45 45 GLY CA C 45 46.258 45.902 0.356 1
1 459 . 16 1 1 A 45 45 GLY N N 45 110.523 113.218 -2.695 1
1 460 . 16 1 1 A 46 46 SER H H 46 8.177 8.254 -0.077 1
1 461 . 16 1 1 A 46 46 SER HA H 46 4.536 5.064 -0.528 1
1 463 . 16 1 1 A 46 46 SER C C 46 175.206 172.177 3.029 1
1 464 . 16 1 1 A 46 46 SER CA C 46 59.244 57.556 1.688 1
1 465 . 16 1 1 A 46 46 SER CB C 46 64.484 67.111 -2.627 1
1 466 . 16 1 1 A 46 46 SER N N 46 115.297 115.541 -0.244 1
1 467 . 16 1 1 A 47 47 THR H H 47 8.198 8.543 -0.345 1
1 468 . 16 1 1 A 47 47 THR HA H 47 4.432 4.689 -0.257 1
1 470 . 16 1 1 A 47 47 THR C C 47 174.939 174.142 0.797 1
1 471 . 16 1 1 A 47 47 THR CA C 47 62.746 60.457 2.289 1
1 472 . 16 1 1 A 47 47 THR CB C 47 70.246 70.683 -0.437 1
1 474 . 16 1 1 A 47 47 THR N N 47 114.635 117.924 -3.289 1
1 475 . 16 1 1 A 48 48 SER H H 48 8.228 9.196 -0.968 1
1 476 . 16 1 1 A 48 48 SER HA H 48 4.473 4.291 0.182 1
1 478 . 16 1 1 A 48 48 SER C C 48 175.241 174.315 0.926 1
1 479 . 16 1 1 A 48 48 SER CA C 48 59.480 58.559 0.921 1
1 480 . 16 1 1 A 48 48 SER CB C 48 64.429 62.855 1.574 1
1 481 . 16 1 1 A 48 48 SER N N 48 117.146 124.510 -7.364 1
1 482 . 16 1 1 A 49 49 GLY H H 49 8.342 8.621 -0.279 1
1 483 . 16 1 1 A 49 49 GLY HA2 H 49 4.048 3.981 0.067 1
1 484 . 16 1 1 A 49 49 GLY C C 49 174.776 174.991 -0.215 1
1 485 . 16 1 1 A 49 49 GLY CA C 49 46.233 45.447 0.786 1
1 486 . 16 1 1 A 49 49 GLY N N 49 110.627 112.433 -1.806 1
1 487 . 16 1 1 A 50 50 LYS H H 50 8.124 7.753 0.371 1
1 488 . 16 1 1 A 50 50 LYS HA H 50 4.302 4.252 0.050 1
1 490 . 16 1 1 A 50 50 LYS C C 50 176.932 176.088 0.844 1
1 491 . 16 1 1 A 50 50 LYS CA C 50 57.333 57.725 -0.392 1
1 492 . 16 1 1 A 50 50 LYS CB C 50 33.497 33.556 -0.059 1
1 496 . 16 1 1 A 50 50 LYS N N 50 120.037 120.977 -0.940 1
1 497 . 16 1 1 A 51 51 LYS H H 51 8.089 7.845 0.244 1
1 498 . 16 1 1 A 51 51 LYS HA H 51 4.325 4.776 -0.451 1
1 500 . 16 1 1 A 51 51 LYS C C 51 177.169 176.014 1.155 1
1 501 . 16 1 1 A 51 51 LYS CA C 51 57.251 54.653 2.598 1
1 502 . 16 1 1 A 51 51 LYS CB C 51 33.293 35.126 -1.833 1
1 506 . 16 1 1 A 51 51 LYS N N 51 120.805 118.248 2.557 1
1 507 . 16 1 1 A 52 52 GLY H H 52 8.304 8.643 -0.339 1
1 508 . 16 1 1 A 52 52 GLY HA2 H 52 4.005 4.145 -0.140 1
1 509 . 16 1 1 A 52 52 GLY C C 52 174.545 173.540 1.005 1
1 510 . 16 1 1 A 52 52 GLY CA C 52 46.250 45.969 0.281 1
1 511 . 16 1 1 A 52 52 GLY N N 52 109.109 111.890 -2.781 1
1 512 . 16 1 1 A 53 53 GLY H H 53 8.201 8.916 -0.715 1
1 513 . 16 1 1 A 53 53 GLY HA2 H 53 4.051 4.038 0.013 1
1 514 . 16 1 1 A 53 53 GLY C C 53 174.771 172.432 2.339 1
1 515 . 16 1 1 A 53 53 GLY CA C 53 46.204 46.705 -0.501 1
1 516 . 16 1 1 A 53 53 GLY N N 53 108.474 109.492 -1.018 1
1 517 . 16 1 1 A 54 54 THR H H 54 8.115 8.757 -0.642 1
1 518 . 16 1 1 A 54 54 THR HA H 54 4.442 5.136 -0.694 1
1 522 . 16 1 1 A 54 54 THR C C 54 175.190 173.985 1.205 1
1 523 . 16 1 1 A 54 54 THR CA C 54 62.904 60.152 2.752 1
1 524 . 16 1 1 A 54 54 THR CB C 54 70.261 71.042 -0.781 1
1 525 . 16 1 1 A 54 54 THR N N 54 113.386 118.996 -5.610 1
1 526 . 16 1 1 A 55 55 THR H H 55 8.158 8.396 -0.238 1
1 527 . 16 1 1 A 55 55 THR HA H 55 4.452 4.441 0.011 1
1 531 . 16 1 1 A 55 55 THR C C 55 175.050 174.443 0.607 1
1 532 . 16 1 1 A 55 55 THR CA C 55 62.740 61.969 0.771 1
1 533 . 16 1 1 A 55 55 THR CB C 55 70.171 69.643 0.528 1
1 535 . 16 1 1 A 55 55 THR N N 55 114.825 122.680 -7.855 1
1 536 . 16 1 1 A 56 56 SER H H 56 8.233 8.618 -0.385 1
1 537 . 16 1 1 A 56 56 SER HA H 56 4.484 4.077 0.407 1
1 539 . 16 1 1 A 56 56 SER C C 56 175.314 173.774 1.540 1
1 540 . 16 1 1 A 56 56 SER CA C 56 59.419 58.941 0.478 1
1 541 . 16 1 1 A 56 56 SER CB C 56 64.576 61.792 2.784 1
1 542 . 16 1 1 A 56 56 SER N N 56 117.144 115.146 1.998 1
1 543 . 16 1 1 A 57 57 GLY H H 57 8.340 8.205 0.135 1
1 544 . 16 1 1 A 57 57 GLY HA2 H 57 4.043 4.304 -0.261 1
1 545 . 16 1 1 A 57 57 GLY C C 57 176.801 173.736 3.065 1
1 546 . 16 1 1 A 57 57 GLY CA C 57 45.927 45.530 0.397 1
1 547 . 16 1 1 A 57 57 GLY N N 57 110.613 112.367 -1.754 1
1 548 . 16 1 1 A 58 58 LYS H H 58 8.125 9.275 -1.150 1
1 549 . 16 1 1 A 58 58 LYS HA H 58 4.313 3.868 0.445 1
1 554 . 16 1 1 A 58 58 LYS C C 58 176.220 176.239 -0.019 1
1 555 . 16 1 1 A 58 58 LYS CA C 58 57.524 58.873 -1.349 1
1 556 . 16 1 1 A 58 58 LYS CB C 58 33.485 30.783 2.702 1
1 560 . 16 1 1 A 58 58 LYS N N 58 120.526 119.330 1.196 1
1 561 . 16 1 1 A 59 59 LYS H H 59 8.227 8.517 -0.290 1
1 562 . 16 1 1 A 59 59 LYS HA H 59 4.202 4.007 0.195 1
1 567 . 16 1 1 A 59 59 LYS C C 59 177.075 176.667 0.408 1
1 568 . 16 1 1 A 59 59 LYS CA C 59 58.240 57.355 0.885 1
1 569 . 16 1 1 A 59 59 LYS CB C 59 33.354 29.163 4.191 1
1 573 . 16 1 1 A 59 59 LYS N N 59 121.098 116.313 4.785 1
1 574 . 16 1 1 A 60 60 GLY H H 60 8.337 8.006 0.331 1
1 575 . 16 1 1 A 60 60 GLY HA2 H 60 4.047 3.949 0.098 1
1 576 . 16 1 1 A 60 60 GLY C C 60 174.631 174.800 -0.169 1
1 577 . 16 1 1 A 60 60 GLY CA C 60 46.282 45.375 0.907 1
1 578 . 16 1 1 A 60 60 GLY N N 60 109.436 105.807 3.629 1
1 579 . 16 1 1 A 61 61 THR H H 61 7.947 7.984 -0.037 1
1 580 . 16 1 1 A 61 61 THR HA H 61 4.396 4.615 -0.219 1
1 585 . 16 1 1 A 61 61 THR C C 61 174.470 176.588 -2.118 1
1 586 . 16 1 1 A 61 61 THR CA C 61 62.795 63.351 -0.556 1
1 587 . 16 1 1 A 61 61 THR CB C 61 70.637 71.035 -0.398 1
1 589 . 16 1 1 A 61 61 THR N N 61 112.095 114.253 -2.158 1
1 590 . 16 1 1 A 62 62 VAL H H 62 7.788 7.799 -0.011 1
1 591 . 16 1 1 A 62 62 VAL HA H 62 4.243 4.335 -0.092 1
1 596 . 16 1 1 A 62 62 VAL CA C 62 62.733 63.620 -0.887 1
1 597 . 16 1 1 A 62 62 VAL CB C 62 33.693 33.797 -0.104 1
1 599 . 16 1 1 A 62 62 VAL N N 62 120.973 120.459 0.514 1
1 600 . 16 1 1 A 63 63 SER H H 63 8.052 7.823 0.229 1
1 601 . 16 1 1 A 63 63 SER HA H 63 4.665 4.117 0.548 1
1 604 . 16 1 1 A 63 63 SER CA C 63 57.747 61.991 -4.244 1
1 605 . 16 1 1 A 63 63 SER CB C 63 64.991 62.987 2.004 1
1 606 . 16 1 1 A 63 63 SER N N 63 119.427 117.037 2.390 1
1 607 . 16 1 1 A 64 64 ILE H H 64 8.191 7.504 0.687 1
1 608 . 16 1 1 A 64 64 ILE HA H 64 4.313 4.272 0.041 1
1 617 . 16 1 1 A 64 64 ILE CA C 64 59.873 60.081 -0.208 1
1 618 . 16 1 1 A 64 64 ILE CB C 64 38.818 37.732 1.086 1
1 621 . 16 1 1 A 64 64 ILE N N 64 122.947 118.352 4.595 1
1 622 . 16 1 1 A 65 65 PRO HA H 65 4.466 4.705 -0.239 1
1 628 . 16 1 1 A 65 65 PRO CA C 65 64.303 62.115 2.188 1
1 629 . 16 1 1 A 65 65 PRO CB C 65 32.672 29.088 3.584 1
1 632 . 16 1 1 A 66 66 SER H H 66 8.002 8.503 -0.501 1
1 633 . 16 1 1 A 66 66 SER HA H 66 4.498 4.249 0.249 1
1 635 . 16 1 1 A 66 66 SER CA C 66 58.702 60.766 -2.064 1
1 636 . 16 1 1 A 66 66 SER CB C 66 64.819 62.976 1.843 1
1 637 . 16 1 1 A 66 66 SER N N 66 112.889 121.158 -8.269 1
1 638 . 16 1 1 A 67 67 LYS H H 67 8.137 7.882 0.255 1
1 639 . 16 1 1 A 67 67 LYS HA H 67 4.347 4.637 -0.290 1
1 641 . 16 1 1 A 67 67 LYS C C 67 176.555 174.832 1.723 1
1 642 . 16 1 1 A 67 67 LYS CA C 67 57.061 54.862 2.199 1
1 643 . 16 1 1 A 67 67 LYS CB C 67 33.669 33.582 0.087 1
1 647 . 16 1 1 A 67 67 LYS N N 67 122.114 120.307 1.807 1
1 648 . 16 1 1 A 68 68 LYS H H 68 8.118 8.515 -0.397 1
1 649 . 16 1 1 A 68 68 LYS HA H 68 4.322 4.254 0.068 1
1 651 . 16 1 1 A 68 68 LYS C C 68 176.446 175.729 0.717 1
1 652 . 16 1 1 A 68 68 LYS CA C 68 57.043 56.458 0.585 1
1 653 . 16 1 1 A 68 68 LYS CB C 68 33.531 32.612 0.919 1
1 657 . 16 1 1 A 68 68 LYS N N 68 121.435 124.800 -3.365 1
1 658 . 16 1 1 A 69 69 LYS H H 69 8.394 8.623 -0.229 1
1 659 . 16 1 1 A 69 69 LYS HA H 69 4.351 4.265 0.086 1
1 663 . 16 1 1 A 69 69 LYS C C 69 175.623 176.781 -1.158 1
1 664 . 16 1 1 A 69 69 LYS CA C 69 56.762 56.983 -0.221 1
1 665 . 16 1 1 A 69 69 LYS CB C 69 33.782 32.636 1.146 1
1 669 . 16 1 1 A 69 69 LYS N N 69 121.052 125.698 -4.646 1
1 670 . 16 1 1 A 70 70 ASN H H 70 8.014 8.454 -0.440 1
1 671 . 16 1 1 A 70 70 ASN HA H 70 4.515 4.460 0.055 1
1 675 . 16 1 1 A 70 70 ASN CA C 70 55.331 55.247 0.084 1
1 676 . 16 1 1 A 70 70 ASN CB C 70 41.478 37.729 3.749 1
1 677 . 16 1 1 A 70 70 ASN N N 70 125.005 120.599 4.406 1
1 679 . 16 1 1 A 71 71 GLY H H 71 8.255 7.610 0.645 1
1 680 . 16 1 1 A 71 71 GLY HA2 H 71 3.986 4.198 -0.212 1
1 681 . 16 1 1 A 71 71 GLY C C 71 174.458 172.500 1.958 1
1 682 . 16 1 1 A 71 71 GLY CA C 71 46.110 45.728 0.382 1
1 683 . 16 1 1 A 71 71 GLY N N 71 114.247 104.238 10.009 1
1 684 . 16 1 1 A 72 72 ASN H H 72 8.462 8.784 -0.322 1
1 685 . 16 1 1 A 72 72 ASN HA H 72 4.796 5.035 -0.239 1
1 689 . 16 1 1 A 72 72 ASN C C 72 175.757 174.940 0.817 1
1 690 . 16 1 1 A 72 72 ASN CA C 72 53.882 54.647 -0.765 1
1 691 . 16 1 1 A 72 72 ASN CB C 72 39.885 40.493 -0.608 1
1 692 . 16 1 1 A 72 72 ASN N N 72 118.314 120.264 -1.950 1
1 694 . 16 1 1 A 73 73 GLY H H 73 8.469 7.996 0.473 1
1 695 . 16 1 1 A 73 73 GLY HA2 H 73 3.968 3.961 0.007 1
1 696 . 16 1 1 A 73 73 GLY C C 73 174.791 173.879 0.912 1
1 697 . 16 1 1 A 73 73 GLY CA C 73 46.247 44.674 1.573 1
1 698 . 16 1 1 A 73 73 GLY N N 73 109.019 107.238 1.781 1
1 699 . 16 1 1 A 74 74 GLY H H 74 7.946 8.179 -0.233 1
1 700 . 16 1 1 A 74 74 GLY HA2 H 74 4.112 4.349 -0.237 1
1 701 . 16 1 1 A 74 74 GLY HA3 H 74 4.177 4.436 -0.259 1
1 702 . 16 1 1 A 74 74 GLY C C 74 175.399 174.276 1.123 1
1 703 . 16 1 1 A 74 74 GLY CA C 74 45.825 44.789 1.036 1
1 704 . 16 1 1 A 74 74 GLY N N 74 108.672 110.437 -1.765 1
1 705 . 16 1 1 A 75 75 VAL H H 75 8.168 8.665 -0.497 1
1 706 . 16 1 1 A 75 75 VAL HA H 75 3.881 3.863 0.018 1
1 714 . 16 1 1 A 75 75 VAL C C 75 176.466 175.951 0.515 1
1 715 . 16 1 1 A 75 75 VAL CA C 75 64.845 64.709 0.136 1
1 716 . 16 1 1 A 75 75 VAL CB C 75 32.811 32.579 0.232 1
1 719 . 16 1 1 A 75 75 VAL N N 75 119.832 118.614 1.218 1
1 720 . 16 1 1 A 76 76 PHE H H 76 8.138 8.092 0.046 1
1 721 . 16 1 1 A 76 76 PHE HA H 76 4.664 5.063 -0.399 1
1 729 . 16 1 1 A 76 76 PHE C C 76 176.775 176.441 0.334 1
1 730 . 16 1 1 A 76 76 PHE CA C 76 58.810 55.925 2.885 1
1 731 . 16 1 1 A 76 76 PHE CB C 76 39.177 42.325 -3.148 1
1 732 . 16 1 1 A 76 76 PHE N N 76 118.007 117.751 0.256 1
1 733 . 16 1 1 A 77 77 GLY H H 77 8.080 8.962 -0.882 1
1 734 . 16 1 1 A 77 77 GLY HA2 H 77 3.948 3.850 0.098 1
1 735 . 16 1 1 A 77 77 GLY C C 77 175.581 174.982 0.599 1
1 736 . 16 1 1 A 77 77 GLY CA C 77 47.292 47.209 0.083 1
1 737 . 16 1 1 A 77 77 GLY N N 77 107.115 111.740 -4.625 1
1 738 . 16 1 1 A 78 78 GLY H H 78 8.136 8.412 -0.276 1
1 739 . 16 1 1 A 78 78 GLY HA2 H 78 4.011 4.080 -0.069 1
1 740 . 16 1 1 A 78 78 GLY C C 78 175.337 174.772 0.565 1
1 741 . 16 1 1 A 78 78 GLY CA C 78 46.315 44.938 1.377 1
1 742 . 16 1 1 A 78 78 GLY N N 78 108.462 108.844 -0.382 1
1 743 . 16 1 1 A 79 79 LEU H H 79 7.641 7.902 -0.261 1
1 744 . 16 1 1 A 79 79 LEU HA H 79 4.022 4.386 -0.364 1
1 753 . 16 1 1 A 79 79 LEU C C 79 177.256 179.178 -1.922 1
1 754 . 16 1 1 A 79 79 LEU CA C 79 57.813 56.860 0.953 1
1 755 . 16 1 1 A 79 79 LEU CB C 79 43.316 42.898 0.418 1
1 759 . 16 1 1 A 79 79 LEU N N 79 121.664 120.808 0.856 1
1 760 . 16 1 1 A 80 80 PHE H H 80 7.944 8.136 -0.192 1
1 761 . 16 1 1 A 80 80 PHE HA H 80 4.633 4.151 0.482 1
1 768 . 16 1 1 A 80 80 PHE C C 80 175.433 175.978 -0.545 1
1 769 . 16 1 1 A 80 80 PHE CA C 80 58.208 61.024 -2.816 1
1 770 . 16 1 1 A 80 80 PHE CB C 80 39.615 38.356 1.259 1
1 771 . 16 1 1 A 80 80 PHE N N 80 114.796 116.939 -2.143 1
1 772 . 16 1 1 A 81 81 ALA H H 81 7.611 7.703 -0.092 1
1 773 . 16 1 1 A 81 81 ALA HA H 81 4.364 4.358 0.006 1
1 777 . 16 1 1 A 81 81 ALA C C 81 177.568 176.927 0.641 1
1 778 . 16 1 1 A 81 81 ALA CA C 81 52.989 52.571 0.418 1
1 779 . 16 1 1 A 81 81 ALA CB C 81 19.902 19.879 0.023 1
1 780 . 16 1 1 A 81 81 ALA N N 81 122.618 121.047 1.571 1
1 781 . 16 1 1 A 82 82 LYS H H 82 8.155 8.647 -0.492 1
1 782 . 16 1 1 A 82 82 LYS HA H 82 4.313 4.814 -0.501 1
1 784 . 16 1 1 A 82 82 LYS C C 82 176.941 173.977 2.964 1
1 785 . 16 1 1 A 82 82 LYS CA C 82 57.023 54.957 2.066 1
1 786 . 16 1 1 A 82 82 LYS CB C 82 33.299 36.506 -3.207 1
1 789 . 16 1 1 A 82 82 LYS N N 82 120.345 119.427 0.918 1
1 790 . 16 1 1 A 83 83 LYS H H 83 8.256 8.736 -0.480 1
1 791 . 16 1 1 A 83 83 LYS HA H 83 4.378 5.034 -0.656 1
1 794 . 16 1 1 A 83 83 LYS CA C 83 56.618 54.313 2.305 1
1 795 . 16 1 1 A 83 83 LYS CB C 83 33.767 35.954 -2.187 1
1 799 . 16 1 1 A 83 83 LYS N N 83 122.901 121.195 1.706 1
1 6 . 17 1 1 A 2 2 ALA H H 2 8.448 8.716 -0.268 1
1 7 . 17 1 1 A 2 2 ALA HA H 2 4.314 5.096 -0.782 1
1 11 . 17 1 1 A 2 2 ALA C C 2 177.731 175.707 2.024 1
1 12 . 17 1 1 A 2 2 ALA CA C 2 53.711 51.516 2.195 1
1 13 . 17 1 1 A 2 2 ALA CB C 2 19.629 22.267 -2.638 1
1 14 . 17 1 1 A 2 2 ALA N N 2 125.995 125.995 0.000 1
1 15 . 17 1 1 A 3 3 ALA H H 3 8.148 8.255 -0.107 1
1 16 . 17 1 1 A 3 3 ALA HA H 3 4.292 4.756 -0.464 1
1 20 . 17 1 1 A 3 3 ALA C C 3 177.888 177.298 0.590 1
1 21 . 17 1 1 A 3 3 ALA CA C 3 53.439 51.932 1.507 1
1 22 . 17 1 1 A 3 3 ALA CB C 3 19.671 22.428 -2.757 1
1 23 . 17 1 1 A 3 3 ALA N N 3 121.767 121.754 0.013 1
1 24 . 17 1 1 A 4 4 LYS H H 4 8.047 8.733 -0.686 1
1 25 . 17 1 1 A 4 4 LYS HA H 4 4.314 4.117 0.197 1
1 27 . 17 1 1 A 4 4 LYS C C 4 177.363 177.085 0.278 1
1 28 . 17 1 1 A 4 4 LYS CA C 4 57.279 57.751 -0.472 1
1 29 . 17 1 1 A 4 4 LYS CB C 4 33.570 33.083 0.487 1
1 33 . 17 1 1 A 4 4 LYS N N 4 119.233 121.204 -1.971 1
1 34 . 17 1 1 A 5 5 GLY H H 5 8.317 7.998 0.319 1
1 35 . 17 1 1 A 5 5 GLY HA2 H 5 4.039 4.066 -0.027 1
1 36 . 17 1 1 A 5 5 GLY C C 5 174.706 174.049 0.657 1
1 37 . 17 1 1 A 5 5 GLY CA C 5 46.246 44.424 1.822 1
1 38 . 17 1 1 A 5 5 GLY N N 5 109.070 106.500 2.570 1
1 39 . 17 1 1 A 6 6 THR H H 6 8.002 8.763 -0.761 1
1 40 . 17 1 1 A 6 6 THR HA H 6 4.357 3.914 0.443 1
1 42 . 17 1 1 A 6 6 THR C C 6 174.839 175.242 -0.403 1
1 43 . 17 1 1 A 6 6 THR CA C 6 62.444 62.468 -0.024 1
1 44 . 17 1 1 A 6 6 THR CB C 6 70.490 66.631 3.859 1
1 46 . 17 1 1 A 6 6 THR N N 6 112.809 113.710 -0.901 1
1 47 . 17 1 1 A 7 7 ALA H H 7 8.309 8.139 0.170 1
1 48 . 17 1 1 A 7 7 ALA HA H 7 4.322 4.054 0.268 1
1 52 . 17 1 1 A 7 7 ALA C C 7 178.032 177.693 0.339 1
1 53 . 17 1 1 A 7 7 ALA CA C 7 53.792 54.243 -0.451 1
1 54 . 17 1 1 A 7 7 ALA CB C 7 19.733 19.506 0.227 1
1 55 . 17 1 1 A 7 7 ALA N N 7 125.292 122.662 2.630 1
1 56 . 17 1 1 A 8 8 GLU H H 8 8.358 8.100 0.258 1
1 57 . 17 1 1 A 8 8 GLU HA H 8 4.297 3.997 0.300 1
1 59 . 17 1 1 A 8 8 GLU C C 8 176.936 175.498 1.438 1
1 60 . 17 1 1 A 8 8 GLU CA C 8 57.618 57.269 0.349 1
1 61 . 17 1 1 A 8 8 GLU CB C 8 30.792 28.094 2.698 1
1 63 . 17 1 1 A 8 8 GLU N N 8 118.943 117.214 1.729 1
1 64 . 17 1 1 A 9 9 THR H H 9 7.974 8.113 -0.139 1
1 65 . 17 1 1 A 9 9 THR HA H 9 4.365 4.442 -0.077 1
1 67 . 17 1 1 A 9 9 THR C C 9 174.629 173.765 0.864 1
1 68 . 17 1 1 A 9 9 THR CA C 9 62.617 61.793 0.824 1
1 69 . 17 1 1 A 9 9 THR CB C 9 70.422 66.809 3.613 1
1 71 . 17 1 1 A 9 9 THR N N 9 113.540 113.822 -0.282 1
1 72 . 17 1 1 A 10 10 LYS H H 10 8.242 7.525 0.717 1
1 73 . 17 1 1 A 10 10 LYS HA H 10 4.314 4.826 -0.512 1
1 75 . 17 1 1 A 10 10 LYS C C 10 176.513 174.685 1.828 1
1 76 . 17 1 1 A 10 10 LYS CA C 10 57.173 55.851 1.322 1
1 77 . 17 1 1 A 10 10 LYS CB C 10 33.511 36.239 -2.728 1
1 81 . 17 1 1 A 10 10 LYS N N 10 123.339 123.772 -0.433 1
1 82 . 17 1 1 A 11 11 GLN H H 11 8.381 8.646 -0.265 1
1 83 . 17 1 1 A 11 11 GLN HA H 11 4.322 5.068 -0.746 1
1 89 . 17 1 1 A 11 11 GLN C C 11 176.073 174.504 1.569 1
1 90 . 17 1 1 A 11 11 GLN CA C 11 56.689 54.784 1.905 1
1 91 . 17 1 1 A 11 11 GLN CB C 11 29.940 32.337 -2.397 1
1 93 . 17 1 1 A 11 11 GLN N N 11 120.885 120.383 0.502 1
1 95 . 17 1 1 A 12 12 GLU H H 12 8.407 8.719 -0.312 1
1 96 . 17 1 1 A 12 12 GLU HA H 12 4.304 4.597 -0.293 1
1 98 . 17 1 1 A 12 12 GLU C C 12 176.253 175.325 0.928 1
1 99 . 17 1 1 A 12 12 GLU CA C 12 57.536 55.436 2.100 1
1 100 . 17 1 1 A 12 12 GLU CB C 12 30.799 29.579 1.220 1
1 102 . 17 1 1 A 12 12 GLU N N 12 121.152 119.579 1.573 1
1 103 . 17 1 1 A 13 13 LYS H H 13 8.220 7.789 0.431 1
1 104 . 17 1 1 A 13 13 LYS HA H 13 4.542 4.574 -0.032 1
1 108 . 17 1 1 A 13 13 LYS C C 13 175.856 174.679 1.177 1
1 109 . 17 1 1 A 13 13 LYS CA C 13 56.335 55.621 0.714 1
1 110 . 17 1 1 A 13 13 LYS CB C 13 33.863 32.936 0.927 1
1 114 . 17 1 1 A 13 13 LYS N N 13 121.312 123.004 -1.692 1
1 115 . 17 1 1 A 14 14 SER H H 14 8.447 7.584 0.863 1
1 116 . 17 1 1 A 14 14 SER HA H 14 4.639 4.948 -0.309 1
1 119 . 17 1 1 A 14 14 SER C C 14 175.529 175.001 0.528 1
1 120 . 17 1 1 A 14 14 SER CA C 14 58.802 57.431 1.371 1
1 121 . 17 1 1 A 14 14 SER CB C 14 64.803 66.488 -1.685 1
1 122 . 17 1 1 A 14 14 SER N N 14 116.487 115.945 0.542 1
1 123 . 17 1 1 A 15 15 PHE H H 15 8.802 8.989 -0.187 1
1 124 . 17 1 1 A 15 15 PHE HA H 15 4.448 4.255 0.193 1
1 129 . 17 1 1 A 15 15 PHE C C 15 176.935 177.518 -0.583 1
1 130 . 17 1 1 A 15 15 PHE CA C 15 62.188 60.453 1.735 1
1 131 . 17 1 1 A 15 15 PHE CB C 15 39.721 38.089 1.632 1
1 132 . 17 1 1 A 15 15 PHE N N 15 124.339 122.472 1.867 1
1 133 . 17 1 1 A 16 16 VAL H H 16 8.025 7.273 0.752 1
1 134 . 17 1 1 A 16 16 VAL HA H 16 3.490 3.631 -0.141 1
1 142 . 17 1 1 A 16 16 VAL C C 16 177.123 177.222 -0.099 1
1 143 . 17 1 1 A 16 16 VAL CA C 16 67.959 64.667 3.292 1
1 144 . 17 1 1 A 16 16 VAL CB C 16 32.250 30.719 1.531 1
1 147 . 17 1 1 A 16 16 VAL N N 16 118.329 121.121 -2.792 1
1 148 . 17 1 1 A 17 17 ASP H H 17 7.926 8.149 -0.223 1
1 149 . 17 1 1 A 17 17 ASP HA H 17 4.354 4.275 0.079 1
1 152 . 17 1 1 A 17 17 ASP C C 17 179.625 178.173 1.452 1
1 153 . 17 1 1 A 17 17 ASP CA C 17 58.204 57.212 0.992 1
1 154 . 17 1 1 A 17 17 ASP CB C 17 41.324 41.269 0.055 1
1 155 . 17 1 1 A 17 17 ASP N N 17 118.753 121.029 -2.276 1
1 156 . 17 1 1 A 18 18 TRP H H 18 8.174 7.737 0.437 1
1 157 . 17 1 1 A 18 18 TRP HA H 18 4.111 4.357 -0.246 1
1 163 . 17 1 1 A 18 18 TRP CA C 18 62.194 60.739 1.455 1
1 164 . 17 1 1 A 18 18 TRP CB C 18 29.150 29.601 -0.451 1
1 165 . 17 1 1 A 18 18 TRP N N 18 122.311 121.569 0.742 1
1 167 . 17 1 1 A 19 19 LEU H H 19 8.517 8.924 -0.407 1
1 168 . 17 1 1 A 19 19 LEU HA H 19 3.447 4.103 -0.656 1
1 178 . 17 1 1 A 19 19 LEU C C 19 179.115 179.154 -0.039 1
1 179 . 17 1 1 A 19 19 LEU CA C 19 58.630 58.554 0.076 1
1 180 . 17 1 1 A 19 19 LEU CB C 19 42.676 42.304 0.372 1
1 184 . 17 1 1 A 19 19 LEU N N 19 120.943 121.490 -0.547 1
1 185 . 17 1 1 A 20 20 LEU H H 20 8.713 8.657 0.056 1
1 186 . 17 1 1 A 20 20 LEU HA H 20 3.972 4.055 -0.083 1
1 196 . 17 1 1 A 20 20 LEU C C 20 180.266 178.619 1.647 1
1 197 . 17 1 1 A 20 20 LEU CA C 20 58.318 57.706 0.612 1
1 198 . 17 1 1 A 20 20 LEU CB C 20 41.655 41.652 0.003 1
1 202 . 17 1 1 A 20 20 LEU N N 20 117.598 119.237 -1.639 1
1 203 . 17 1 1 A 21 21 GLY H H 21 7.783 8.227 -0.444 1
1 204 . 17 1 1 A 21 21 GLY HA2 H 21 3.829 3.780 0.049 1
1 205 . 17 1 1 A 21 21 GLY C C 21 175.390 175.725 -0.335 1
1 206 . 17 1 1 A 21 21 GLY CA C 21 46.978 46.935 0.043 1
1 207 . 17 1 1 A 21 21 GLY N N 21 106.102 107.305 -1.203 1
1 208 . 17 1 1 A 22 22 LYS H H 22 7.443 7.804 -0.361 1
1 209 . 17 1 1 A 22 22 LYS HA H 22 4.090 4.198 -0.108 1
1 217 . 17 1 1 A 22 22 LYS C C 22 177.806 179.067 -1.261 1
1 218 . 17 1 1 A 22 22 LYS CA C 22 56.974 58.900 -1.926 1
1 219 . 17 1 1 A 22 22 LYS CB C 22 32.718 32.617 0.101 1
1 223 . 17 1 1 A 22 22 LYS N N 22 118.883 121.807 -2.924 1
1 224 . 17 1 1 A 23 23 ILE H H 23 7.550 7.340 0.210 1
1 225 . 17 1 1 A 23 23 ILE HA H 23 4.165 3.687 0.478 1
1 235 . 17 1 1 A 23 23 ILE C C 23 175.996 176.413 -0.417 1
1 236 . 17 1 1 A 23 23 ILE CA C 23 62.916 64.984 -2.068 1
1 237 . 17 1 1 A 23 23 ILE CB C 23 39.444 38.096 1.348 1
1 241 . 17 1 1 A 23 23 ILE N N 23 114.457 119.013 -4.556 1
1 242 . 17 1 1 A 24 24 THR H H 24 7.778 8.443 -0.665 1
1 243 . 17 1 1 A 24 24 THR HA H 24 4.379 4.074 0.305 1
1 248 . 17 1 1 A 24 24 THR C C 24 174.616 175.059 -0.443 1
1 249 . 17 1 1 A 24 24 THR CA C 24 62.699 62.860 -0.161 1
1 250 . 17 1 1 A 24 24 THR CB C 24 70.567 66.482 4.085 1
1 252 . 17 1 1 A 24 24 THR N N 24 113.224 115.612 -2.388 1
1 253 . 17 1 1 A 25 25 LYS H H 25 7.956 8.155 -0.199 1
1 259 . 17 1 1 A 25 25 LYS CA C 25 56.696 58.317 -1.621 1
1 260 . 17 1 1 A 25 25 LYS CB C 25 33.428 31.934 1.494 1
1 262 . 17 1 1 A 25 25 LYS N N 25 122.468 121.900 0.568 1
1 263 . 17 1 1 A 26 26 GLU H H 26 8.392 7.905 0.487 1
1 264 . 17 1 1 A 26 26 GLU HA H 26 4.230 4.581 -0.351 1
1 268 . 17 1 1 A 26 26 GLU C C 26 176.320 176.084 0.236 1
1 269 . 17 1 1 A 26 26 GLU CA C 26 57.616 57.799 -0.183 1
1 270 . 17 1 1 A 26 26 GLU CB C 26 30.854 32.612 -1.758 1
1 272 . 17 1 1 A 26 26 GLU N N 26 121.068 118.759 2.309 1
1 273 . 17 1 1 A 27 27 ASP H H 27 8.299 8.161 0.138 1
1 274 . 17 1 1 A 27 27 ASP HA H 27 4.496 4.248 0.248 1
1 276 . 17 1 1 A 27 27 ASP C C 27 175.931 175.316 0.615 1
1 277 . 17 1 1 A 27 27 ASP CA C 27 55.161 54.822 0.339 1
1 278 . 17 1 1 A 27 27 ASP CB C 27 41.532 39.168 2.364 1
1 279 . 17 1 1 A 27 27 ASP N N 27 119.412 119.343 0.069 1
1 280 . 17 1 1 A 28 28 GLN H H 28 8.108 7.897 0.211 1
1 281 . 17 1 1 A 28 28 GLN HA H 28 4.215 4.182 0.033 1
1 286 . 17 1 1 A 28 28 GLN C C 28 175.845 176.290 -0.445 1
1 287 . 17 1 1 A 28 28 GLN CA C 28 56.559 56.378 0.181 1
1 288 . 17 1 1 A 28 28 GLN CB C 28 30.105 29.875 0.230 1
1 290 . 17 1 1 A 28 28 GLN N N 28 119.037 119.488 -0.451 1
1 292 . 17 1 1 A 29 29 PHE H H 29 8.235 7.931 0.304 1
1 293 . 17 1 1 A 29 29 PHE HA H 29 4.514 4.867 -0.353 1
1 299 . 17 1 1 A 29 29 PHE C C 29 175.361 175.490 -0.129 1
1 300 . 17 1 1 A 29 29 PHE CA C 29 58.810 56.876 1.934 1
1 301 . 17 1 1 A 29 29 PHE CB C 29 40.000 39.055 0.945 1
1 302 . 17 1 1 A 29 29 PHE N N 29 120.622 118.097 2.525 1
1 303 . 17 1 1 A 30 30 TYR H H 30 7.715 7.469 0.246 1
1 304 . 17 1 1 A 30 30 TYR HA H 30 4.508 4.577 -0.069 1
1 310 . 17 1 1 A 30 30 TYR C C 30 175.416 176.281 -0.865 1
1 311 . 17 1 1 A 30 30 TYR CA C 30 58.544 58.465 0.079 1
1 312 . 17 1 1 A 30 30 TYR CB C 30 39.613 39.231 0.382 1
1 313 . 17 1 1 A 30 30 TYR N N 30 119.864 121.007 -1.143 1
1 314 . 17 1 1 A 31 31 GLU H H 31 8.187 8.670 -0.483 1
1 315 . 17 1 1 A 31 31 GLU HA H 31 4.293 4.585 -0.292 1
1 319 . 17 1 1 A 31 31 GLU C C 31 176.148 178.451 -2.303 1
1 320 . 17 1 1 A 31 31 GLU CA C 31 57.172 56.785 0.387 1
1 321 . 17 1 1 A 31 31 GLU CB C 31 30.845 31.534 -0.689 1
1 323 . 17 1 1 A 31 31 GLU N N 31 121.546 119.093 2.453 1
1 324 . 17 1 1 A 32 32 THR H H 32 7.864 8.164 -0.300 1
1 325 . 17 1 1 A 32 32 THR HA H 32 4.359 3.987 0.372 1
1 330 . 17 1 1 A 32 32 THR C C 32 173.970 176.283 -2.313 1
1 331 . 17 1 1 A 32 32 THR CA C 32 62.043 64.897 -2.854 1
1 332 . 17 1 1 A 32 32 THR CB C 32 70.721 68.866 1.855 1
1 334 . 17 1 1 A 32 32 THR N N 32 113.695 115.599 -1.904 1
1 335 . 17 1 1 A 33 33 ASP H H 33 8.317 7.942 0.375 1
1 336 . 17 1 1 A 33 33 ASP HA H 33 4.880 4.413 0.467 1
1 339 . 17 1 1 A 33 33 ASP CA C 33 53.661 59.271 -5.610 1
1 340 . 17 1 1 A 33 33 ASP CB C 33 41.474 39.480 1.994 1
1 341 . 17 1 1 A 33 33 ASP N N 33 123.601 119.687 3.914 1
1 342 . 17 1 1 A 34 34 PRO HA H 34 4.408 4.581 -0.173 1
1 348 . 17 1 1 A 34 34 PRO C C 34 174.420 176.802 -2.382 1
1 349 . 17 1 1 A 34 34 PRO CA C 34 64.164 62.828 1.336 1
1 350 . 17 1 1 A 34 34 PRO CB C 34 32.774 31.771 1.003 1
1 353 . 17 1 1 A 35 35 ILE H H 35 8.143 8.513 -0.370 1
1 354 . 17 1 1 A 35 35 ILE HA H 35 4.046 4.394 -0.348 1
1 364 . 17 1 1 A 35 35 ILE C C 35 176.474 176.775 -0.301 1
1 365 . 17 1 1 A 35 35 ILE CA C 35 62.937 61.129 1.808 1
1 366 . 17 1 1 A 35 35 ILE CB C 35 39.275 40.035 -0.760 1
1 370 . 17 1 1 A 35 35 ILE N N 35 120.322 119.750 0.572 1
1 371 . 17 1 1 A 36 36 LEU H H 36 7.975 7.964 0.011 1
1 372 . 17 1 1 A 36 36 LEU HA H 36 4.398 3.993 0.405 1
1 381 . 17 1 1 A 36 36 LEU C C 36 177.299 177.496 -0.197 1
1 382 . 17 1 1 A 36 36 LEU CA C 36 56.022 55.998 0.024 1
1 383 . 17 1 1 A 36 36 LEU CB C 36 42.837 41.445 1.392 1
1 387 . 17 1 1 A 36 36 LEU N N 36 121.023 121.726 -0.703 1
1 388 . 17 1 1 A 37 37 ARG H H 37 7.932 8.272 -0.340 1
1 389 . 17 1 1 A 37 37 ARG HA H 37 4.345 4.279 0.066 1
1 395 . 17 1 1 A 37 37 ARG C C 37 176.869 177.459 -0.590 1
1 396 . 17 1 1 A 37 37 ARG CA C 37 56.912 57.411 -0.499 1
1 397 . 17 1 1 A 37 37 ARG CB C 37 31.127 31.286 -0.159 1
1 400 . 17 1 1 A 37 37 ARG N N 37 118.673 119.224 -0.551 1
1 402 . 17 1 1 A 38 38 GLY H H 38 8.271 7.801 0.470 1
1 403 . 17 1 1 A 38 38 GLY HA2 H 38 3.986 4.096 -0.110 1
1 404 . 17 1 1 A 38 38 GLY C C 38 174.864 174.402 0.462 1
1 405 . 17 1 1 A 38 38 GLY CA C 38 46.258 45.669 0.589 1
1 406 . 17 1 1 A 38 38 GLY N N 38 108.377 106.651 1.726 1
1 407 . 17 1 1 A 39 39 GLY H H 39 8.218 7.863 0.355 1
1 408 . 17 1 1 A 39 39 GLY HA2 H 39 3.998 4.081 -0.083 1
1 409 . 17 1 1 A 39 39 GLY C C 39 174.158 172.565 1.593 1
1 410 . 17 1 1 A 39 39 GLY CA C 39 46.187 45.626 0.561 1
1 411 . 17 1 1 A 39 39 GLY N N 39 108.485 106.828 1.657 1
1 412 . 17 1 1 A 40 40 ASP H H 40 8.274 7.579 0.695 1
1 413 . 17 1 1 A 40 40 ASP HA H 40 4.699 4.878 -0.179 1
1 415 . 17 1 1 A 40 40 ASP C C 40 176.791 175.879 0.912 1
1 416 . 17 1 1 A 40 40 ASP CA C 40 55.105 53.264 1.841 1
1 417 . 17 1 1 A 40 40 ASP CB C 40 41.715 42.011 -0.296 1
1 418 . 17 1 1 A 40 40 ASP N N 40 120.261 120.928 -0.667 1
1 419 . 17 1 1 A 41 41 VAL H H 41 8.071 8.619 -0.548 1
1 420 . 17 1 1 A 41 41 VAL HA H 41 3.993 4.078 -0.085 1
1 425 . 17 1 1 A 41 41 VAL C C 41 176.869 175.865 1.004 1
1 426 . 17 1 1 A 41 41 VAL CA C 41 64.502 64.570 -0.068 1
1 427 . 17 1 1 A 41 41 VAL CB C 41 32.773 32.142 0.631 1
1 429 . 17 1 1 A 41 41 VAL N N 41 120.111 125.710 -5.599 1
1 430 . 17 1 1 A 42 42 LYS H H 42 8.213 7.472 0.741 1
1 431 . 17 1 1 A 42 42 LYS HA H 42 4.299 4.503 -0.204 1
1 434 . 17 1 1 A 42 42 LYS C C 42 177.041 175.863 1.178 1
1 435 . 17 1 1 A 42 42 LYS CA C 42 57.639 56.362 1.277 1
1 436 . 17 1 1 A 42 42 LYS CB C 42 33.227 33.222 0.005 1
1 440 . 17 1 1 A 42 42 LYS N N 42 121.557 119.447 2.110 1
1 441 . 17 1 1 A 43 43 SER H H 43 8.126 8.840 -0.714 1
1 442 . 17 1 1 A 43 43 SER HA H 43 4.452 4.763 -0.311 1
1 444 . 17 1 1 A 43 43 SER C C 43 175.085 173.967 1.118 1
1 445 . 17 1 1 A 43 43 SER CA C 43 59.403 58.982 0.421 1
1 446 . 17 1 1 A 43 43 SER CB C 43 64.208 65.812 -1.604 1
1 447 . 17 1 1 A 43 43 SER N N 43 115.295 115.192 0.103 1
1 448 . 17 1 1 A 44 44 SER H H 44 8.251 7.681 0.570 1
1 449 . 17 1 1 A 44 44 SER HA H 44 4.479 4.805 -0.326 1
1 451 . 17 1 1 A 44 44 SER C C 44 175.331 172.836 2.495 1
1 452 . 17 1 1 A 44 44 SER CA C 44 59.701 57.728 1.973 1
1 453 . 17 1 1 A 44 44 SER CB C 44 64.453 66.820 -2.367 1
1 454 . 17 1 1 A 44 44 SER N N 44 117.357 111.816 5.541 1
1 455 . 17 1 1 A 45 45 GLY H H 45 8.401 8.454 -0.053 1
1 456 . 17 1 1 A 45 45 GLY HA2 H 45 4.030 4.139 -0.109 1
1 457 . 17 1 1 A 45 45 GLY C C 45 174.472 171.653 2.819 1
1 458 . 17 1 1 A 45 45 GLY CA C 45 46.258 45.881 0.377 1
1 459 . 17 1 1 A 45 45 GLY N N 45 110.523 109.365 1.158 1
1 460 . 17 1 1 A 46 46 SER H H 46 8.177 8.549 -0.372 1
1 461 . 17 1 1 A 46 46 SER HA H 46 4.536 4.760 -0.224 1
1 463 . 17 1 1 A 46 46 SER C C 46 175.206 174.374 0.832 1
1 464 . 17 1 1 A 46 46 SER CA C 46 59.244 57.990 1.254 1
1 465 . 17 1 1 A 46 46 SER CB C 46 64.484 64.655 -0.171 1
1 466 . 17 1 1 A 46 46 SER N N 46 115.297 116.736 -1.439 1
1 467 . 17 1 1 A 47 47 THR H H 47 8.198 8.894 -0.696 1
1 468 . 17 1 1 A 47 47 THR HA H 47 4.432 4.481 -0.049 1
1 470 . 17 1 1 A 47 47 THR C C 47 174.939 173.841 1.098 1
1 471 . 17 1 1 A 47 47 THR CA C 47 62.746 63.268 -0.522 1
1 472 . 17 1 1 A 47 47 THR CB C 47 70.246 71.204 -0.958 1
1 474 . 17 1 1 A 47 47 THR N N 47 114.635 119.331 -4.696 1
1 475 . 17 1 1 A 48 48 SER H H 48 8.228 7.703 0.525 1
1 476 . 17 1 1 A 48 48 SER HA H 48 4.473 4.700 -0.227 1
1 478 . 17 1 1 A 48 48 SER C C 48 175.241 172.425 2.816 1
1 479 . 17 1 1 A 48 48 SER CA C 48 59.480 56.694 2.786 1
1 480 . 17 1 1 A 48 48 SER CB C 48 64.429 64.826 -0.397 1
1 481 . 17 1 1 A 48 48 SER N N 48 117.146 114.232 2.914 1
1 482 . 17 1 1 A 49 49 GLY H H 49 8.342 8.490 -0.148 1
1 483 . 17 1 1 A 49 49 GLY HA2 H 49 4.048 3.949 0.099 1
1 484 . 17 1 1 A 49 49 GLY C C 49 174.776 175.660 -0.884 1
1 485 . 17 1 1 A 49 49 GLY CA C 49 46.233 45.514 0.719 1
1 486 . 17 1 1 A 49 49 GLY N N 49 110.627 109.173 1.454 1
1 487 . 17 1 1 A 50 50 LYS H H 50 8.124 8.323 -0.199 1
1 488 . 17 1 1 A 50 50 LYS HA H 50 4.302 4.335 -0.033 1
1 490 . 17 1 1 A 50 50 LYS C C 50 176.932 176.374 0.558 1
1 491 . 17 1 1 A 50 50 LYS CA C 50 57.333 56.937 0.396 1
1 492 . 17 1 1 A 50 50 LYS CB C 50 33.497 34.046 -0.549 1
1 496 . 17 1 1 A 50 50 LYS N N 50 120.037 118.078 1.959 1
1 497 . 17 1 1 A 51 51 LYS H H 51 8.089 7.614 0.475 1
1 498 . 17 1 1 A 51 51 LYS HA H 51 4.325 4.655 -0.330 1
1 500 . 17 1 1 A 51 51 LYS C C 51 177.169 174.804 2.365 1
1 501 . 17 1 1 A 51 51 LYS CA C 51 57.251 55.260 1.991 1
1 502 . 17 1 1 A 51 51 LYS CB C 51 33.293 35.315 -2.022 1
1 506 . 17 1 1 A 51 51 LYS N N 51 120.805 114.082 6.723 1
1 507 . 17 1 1 A 52 52 GLY H H 52 8.304 8.429 -0.125 1
1 508 . 17 1 1 A 52 52 GLY HA2 H 52 4.005 4.248 -0.243 1
1 509 . 17 1 1 A 52 52 GLY C C 52 174.545 172.872 1.673 1
1 510 . 17 1 1 A 52 52 GLY CA C 52 46.250 45.641 0.609 1
1 511 . 17 1 1 A 52 52 GLY N N 52 109.109 106.624 2.485 1
1 512 . 17 1 1 A 53 53 GLY H H 53 8.201 8.215 -0.014 1
1 513 . 17 1 1 A 53 53 GLY HA2 H 53 4.051 4.235 -0.184 1
1 514 . 17 1 1 A 53 53 GLY C C 53 174.771 173.807 0.964 1
1 515 . 17 1 1 A 53 53 GLY CA C 53 46.204 45.387 0.817 1
1 516 . 17 1 1 A 53 53 GLY N N 53 108.474 110.743 -2.269 1
1 517 . 17 1 1 A 54 54 THR H H 54 8.115 8.341 -0.226 1
1 518 . 17 1 1 A 54 54 THR HA H 54 4.442 4.398 0.044 1
1 522 . 17 1 1 A 54 54 THR C C 54 175.190 174.772 0.418 1
1 523 . 17 1 1 A 54 54 THR CA C 54 62.904 62.194 0.710 1
1 524 . 17 1 1 A 54 54 THR CB C 54 70.261 70.832 -0.571 1
1 525 . 17 1 1 A 54 54 THR N N 54 113.386 112.171 1.215 1
1 526 . 17 1 1 A 55 55 THR H H 55 8.158 8.070 0.088 1
1 527 . 17 1 1 A 55 55 THR HA H 55 4.452 3.879 0.573 1
1 531 . 17 1 1 A 55 55 THR C C 55 175.050 174.205 0.845 1
1 532 . 17 1 1 A 55 55 THR CA C 55 62.740 63.017 -0.277 1
1 533 . 17 1 1 A 55 55 THR CB C 55 70.171 67.080 3.091 1
1 535 . 17 1 1 A 55 55 THR N N 55 114.825 112.413 2.412 1
1 536 . 17 1 1 A 56 56 SER H H 56 8.233 8.551 -0.318 1
1 537 . 17 1 1 A 56 56 SER HA H 56 4.484 4.123 0.361 1
1 539 . 17 1 1 A 56 56 SER C C 56 175.314 174.289 1.025 1
1 540 . 17 1 1 A 56 56 SER CA C 56 59.419 59.125 0.294 1
1 541 . 17 1 1 A 56 56 SER CB C 56 64.576 61.748 2.828 1
1 542 . 17 1 1 A 56 56 SER N N 56 117.144 112.347 4.797 1
1 543 . 17 1 1 A 57 57 GLY H H 57 8.340 8.428 -0.088 1
1 544 . 17 1 1 A 57 57 GLY HA2 H 57 4.043 4.163 -0.120 1
1 545 . 17 1 1 A 57 57 GLY C C 57 176.801 173.874 2.927 1
1 546 . 17 1 1 A 57 57 GLY CA C 57 45.927 46.033 -0.106 1
1 547 . 17 1 1 A 57 57 GLY N N 57 110.613 113.094 -2.481 1
1 548 . 17 1 1 A 58 58 LYS H H 58 8.125 7.720 0.405 1
1 549 . 17 1 1 A 58 58 LYS HA H 58 4.313 4.691 -0.378 1
1 554 . 17 1 1 A 58 58 LYS C C 58 176.220 174.617 1.603 1
1 555 . 17 1 1 A 58 58 LYS CA C 58 57.524 56.122 1.402 1
1 556 . 17 1 1 A 58 58 LYS CB C 58 33.485 34.809 -1.324 1
1 560 . 17 1 1 A 58 58 LYS N N 58 120.526 118.580 1.946 1
1 561 . 17 1 1 A 59 59 LYS H H 59 8.227 8.791 -0.564 1
1 562 . 17 1 1 A 59 59 LYS HA H 59 4.202 4.666 -0.464 1
1 567 . 17 1 1 A 59 59 LYS C C 59 177.075 177.682 -0.607 1
1 568 . 17 1 1 A 59 59 LYS CA C 59 58.240 55.412 2.828 1
1 569 . 17 1 1 A 59 59 LYS CB C 59 33.354 32.644 0.710 1
1 573 . 17 1 1 A 59 59 LYS N N 59 121.098 122.867 -1.769 1
1 574 . 17 1 1 A 60 60 GLY H H 60 8.337 8.354 -0.017 1
1 575 . 17 1 1 A 60 60 GLY HA2 H 60 4.047 3.810 0.237 1
1 576 . 17 1 1 A 60 60 GLY C C 60 174.631 175.598 -0.967 1
1 577 . 17 1 1 A 60 60 GLY CA C 60 46.282 46.530 -0.248 1
1 578 . 17 1 1 A 60 60 GLY N N 60 109.436 109.462 -0.026 1
1 579 . 17 1 1 A 61 61 THR H H 61 7.947 7.946 0.001 1
1 580 . 17 1 1 A 61 61 THR HA H 61 4.396 4.123 0.273 1
1 585 . 17 1 1 A 61 61 THR C C 61 174.470 176.271 -1.801 1
1 586 . 17 1 1 A 61 61 THR CA C 61 62.795 65.057 -2.262 1
1 587 . 17 1 1 A 61 61 THR CB C 61 70.637 68.798 1.839 1
1 589 . 17 1 1 A 61 61 THR N N 61 112.095 116.628 -4.533 1
1 590 . 17 1 1 A 62 62 VAL H H 62 7.788 7.275 0.513 1
1 591 . 17 1 1 A 62 62 VAL HA H 62 4.243 4.345 -0.102 1
1 596 . 17 1 1 A 62 62 VAL CA C 62 62.733 63.410 -0.677 1
1 597 . 17 1 1 A 62 62 VAL CB C 62 33.693 33.861 -0.168 1
1 599 . 17 1 1 A 62 62 VAL N N 62 120.973 120.170 0.803 1
1 600 . 17 1 1 A 63 63 SER H H 63 8.052 8.351 -0.299 1
1 601 . 17 1 1 A 63 63 SER HA H 63 4.665 4.120 0.545 1
1 604 . 17 1 1 A 63 63 SER CA C 63 57.747 62.184 -4.437 1
1 605 . 17 1 1 A 63 63 SER CB C 63 64.991 62.971 2.020 1
1 606 . 17 1 1 A 63 63 SER N N 63 119.427 117.043 2.384 1
1 607 . 17 1 1 A 64 64 ILE H H 64 8.191 7.527 0.664 1
1 608 . 17 1 1 A 64 64 ILE HA H 64 4.313 4.311 0.002 1
1 617 . 17 1 1 A 64 64 ILE CA C 64 59.873 60.183 -0.310 1
1 618 . 17 1 1 A 64 64 ILE CB C 64 38.818 37.579 1.239 1
1 621 . 17 1 1 A 64 64 ILE N N 64 122.947 119.428 3.519 1
1 622 . 17 1 1 A 65 65 PRO HA H 65 4.466 4.302 0.164 1
1 628 . 17 1 1 A 65 65 PRO CA C 65 64.303 64.946 -0.643 1
1 629 . 17 1 1 A 65 65 PRO CB C 65 32.672 31.809 0.863 1
1 632 . 17 1 1 A 66 66 SER H H 66 8.002 8.101 -0.099 1
1 633 . 17 1 1 A 66 66 SER HA H 66 4.498 4.124 0.374 1
1 635 . 17 1 1 A 66 66 SER CA C 66 58.702 59.531 -0.829 1
1 636 . 17 1 1 A 66 66 SER CB C 66 64.819 62.502 2.317 1
1 637 . 17 1 1 A 66 66 SER N N 66 112.889 113.457 -0.568 1
1 638 . 17 1 1 A 67 67 LYS H H 67 8.137 7.902 0.235 1
1 639 . 17 1 1 A 67 67 LYS HA H 67 4.347 4.504 -0.157 1
1 641 . 17 1 1 A 67 67 LYS C C 67 176.555 175.185 1.370 1
1 642 . 17 1 1 A 67 67 LYS CA C 67 57.061 57.587 -0.526 1
1 643 . 17 1 1 A 67 67 LYS CB C 67 33.669 35.065 -1.396 1
1 647 . 17 1 1 A 67 67 LYS N N 67 122.114 119.782 2.332 1
1 648 . 17 1 1 A 68 68 LYS H H 68 8.118 8.101 0.017 1
1 649 . 17 1 1 A 68 68 LYS HA H 68 4.322 4.782 -0.460 1
1 651 . 17 1 1 A 68 68 LYS C C 68 176.446 175.497 0.949 1
1 652 . 17 1 1 A 68 68 LYS CA C 68 57.043 54.606 2.437 1
1 653 . 17 1 1 A 68 68 LYS CB C 68 33.531 34.870 -1.339 1
1 657 . 17 1 1 A 68 68 LYS N N 68 121.435 119.405 2.030 1
1 658 . 17 1 1 A 69 69 LYS H H 69 8.394 8.502 -0.108 1
1 659 . 17 1 1 A 69 69 LYS HA H 69 4.351 4.986 -0.635 1
1 663 . 17 1 1 A 69 69 LYS C C 69 175.623 175.154 0.469 1
1 664 . 17 1 1 A 69 69 LYS CA C 69 56.762 54.751 2.011 1
1 665 . 17 1 1 A 69 69 LYS CB C 69 33.782 35.258 -1.476 1
1 669 . 17 1 1 A 69 69 LYS N N 69 121.052 119.454 1.598 1
1 670 . 17 1 1 A 70 70 ASN H H 70 8.014 9.196 -1.182 1
1 671 . 17 1 1 A 70 70 ASN HA H 70 4.515 4.882 -0.367 1
1 675 . 17 1 1 A 70 70 ASN CA C 70 55.331 54.119 1.212 1
1 676 . 17 1 1 A 70 70 ASN CB C 70 41.478 39.021 2.457 1
1 677 . 17 1 1 A 70 70 ASN N N 70 125.005 125.649 -0.644 1
1 679 . 17 1 1 A 71 71 GLY H H 71 8.255 8.289 -0.034 1
1 680 . 17 1 1 A 71 71 GLY HA2 H 71 3.986 4.245 -0.259 1
1 681 . 17 1 1 A 71 71 GLY C C 71 174.458 172.110 2.348 1
1 682 . 17 1 1 A 71 71 GLY CA C 71 46.110 46.141 -0.031 1
1 683 . 17 1 1 A 71 71 GLY N N 71 114.247 111.017 3.230 1
1 684 . 17 1 1 A 72 72 ASN H H 72 8.462 8.757 -0.295 1
1 685 . 17 1 1 A 72 72 ASN HA H 72 4.796 5.395 -0.599 1
1 689 . 17 1 1 A 72 72 ASN C C 72 175.757 175.366 0.391 1
1 690 . 17 1 1 A 72 72 ASN CA C 72 53.882 51.259 2.623 1
1 691 . 17 1 1 A 72 72 ASN CB C 72 39.885 42.336 -2.451 1
1 692 . 17 1 1 A 72 72 ASN N N 72 118.314 118.958 -0.644 1
1 694 . 17 1 1 A 73 73 GLY H H 73 8.469 8.862 -0.393 1
1 695 . 17 1 1 A 73 73 GLY HA2 H 73 3.968 4.071 -0.103 1
1 696 . 17 1 1 A 73 73 GLY C C 73 174.791 174.514 0.277 1
1 697 . 17 1 1 A 73 73 GLY CA C 73 46.247 45.401 0.846 1
1 698 . 17 1 1 A 73 73 GLY N N 73 109.019 108.645 0.374 1
1 699 . 17 1 1 A 74 74 GLY H H 74 7.946 7.986 -0.040 1
1 700 . 17 1 1 A 74 74 GLY HA2 H 74 4.112 4.034 0.078 1
1 701 . 17 1 1 A 74 74 GLY HA3 H 74 4.177 4.086 0.091 1
1 702 . 17 1 1 A 74 74 GLY C C 74 175.399 175.144 0.255 1
1 703 . 17 1 1 A 74 74 GLY CA C 74 45.825 44.874 0.951 1
1 704 . 17 1 1 A 74 74 GLY N N 74 108.672 106.563 2.109 1
1 705 . 17 1 1 A 75 75 VAL H H 75 8.168 8.402 -0.234 1
1 706 . 17 1 1 A 75 75 VAL HA H 75 3.881 3.866 0.015 1
1 714 . 17 1 1 A 75 75 VAL C C 75 176.466 176.632 -0.166 1
1 715 . 17 1 1 A 75 75 VAL CA C 75 64.845 64.319 0.526 1
1 716 . 17 1 1 A 75 75 VAL CB C 75 32.811 31.194 1.617 1
1 719 . 17 1 1 A 75 75 VAL N N 75 119.832 119.275 0.557 1
1 720 . 17 1 1 A 76 76 PHE H H 76 8.138 7.966 0.172 1
1 721 . 17 1 1 A 76 76 PHE HA H 76 4.664 4.397 0.267 1
1 729 . 17 1 1 A 76 76 PHE C C 76 176.775 177.427 -0.652 1
1 730 . 17 1 1 A 76 76 PHE CA C 76 58.810 60.299 -1.489 1
1 731 . 17 1 1 A 76 76 PHE CB C 76 39.177 40.243 -1.066 1
1 732 . 17 1 1 A 76 76 PHE N N 76 118.007 117.725 0.282 1
1 733 . 17 1 1 A 77 77 GLY H H 77 8.080 7.815 0.265 1
1 734 . 17 1 1 A 77 77 GLY HA2 H 77 3.948 4.108 -0.160 1
1 735 . 17 1 1 A 77 77 GLY C C 77 175.581 175.246 0.335 1
1 736 . 17 1 1 A 77 77 GLY CA C 77 47.292 45.730 1.562 1
1 737 . 17 1 1 A 77 77 GLY N N 77 107.115 104.627 2.488 1
1 738 . 17 1 1 A 78 78 GLY H H 78 8.136 7.612 0.524 1
1 739 . 17 1 1 A 78 78 GLY HA2 H 78 4.011 4.199 -0.188 1
1 740 . 17 1 1 A 78 78 GLY C C 78 175.337 175.059 0.278 1
1 741 . 17 1 1 A 78 78 GLY CA C 78 46.315 45.663 0.652 1
1 742 . 17 1 1 A 78 78 GLY N N 78 108.462 106.491 1.971 1
1 743 . 17 1 1 A 79 79 LEU H H 79 7.641 8.066 -0.425 1
1 744 . 17 1 1 A 79 79 LEU HA H 79 4.022 4.387 -0.365 1
1 753 . 17 1 1 A 79 79 LEU C C 79 177.256 177.732 -0.476 1
1 754 . 17 1 1 A 79 79 LEU CA C 79 57.813 56.757 1.056 1
1 755 . 17 1 1 A 79 79 LEU CB C 79 43.316 43.047 0.269 1
1 759 . 17 1 1 A 79 79 LEU N N 79 121.664 120.997 0.667 1
1 760 . 17 1 1 A 80 80 PHE H H 80 7.944 8.009 -0.065 1
1 761 . 17 1 1 A 80 80 PHE HA H 80 4.633 4.648 -0.015 1
1 768 . 17 1 1 A 80 80 PHE C C 80 175.433 176.333 -0.900 1
1 769 . 17 1 1 A 80 80 PHE CA C 80 58.208 57.806 0.402 1
1 770 . 17 1 1 A 80 80 PHE CB C 80 39.615 38.630 0.985 1
1 771 . 17 1 1 A 80 80 PHE N N 80 114.796 117.831 -3.035 1
1 772 . 17 1 1 A 81 81 ALA H H 81 7.611 8.019 -0.408 1
1 773 . 17 1 1 A 81 81 ALA HA H 81 4.364 4.068 0.296 1
1 777 . 17 1 1 A 81 81 ALA C C 81 177.568 178.972 -1.404 1
1 778 . 17 1 1 A 81 81 ALA CA C 81 52.989 55.384 -2.395 1
1 779 . 17 1 1 A 81 81 ALA CB C 81 19.902 18.951 0.951 1
1 780 . 17 1 1 A 81 81 ALA N N 81 122.618 123.483 -0.865 1
1 781 . 17 1 1 A 82 82 LYS H H 82 8.155 7.923 0.232 1
1 782 . 17 1 1 A 82 82 LYS HA H 82 4.313 4.536 -0.223 1
1 784 . 17 1 1 A 82 82 LYS C C 82 176.941 176.087 0.854 1
1 785 . 17 1 1 A 82 82 LYS CA C 82 57.023 57.536 -0.513 1
1 786 . 17 1 1 A 82 82 LYS CB C 82 33.299 35.154 -1.855 1
1 789 . 17 1 1 A 82 82 LYS N N 82 120.345 115.258 5.087 1
1 790 . 17 1 1 A 83 83 LYS H H 83 8.256 7.832 0.424 1
1 791 . 17 1 1 A 83 83 LYS HA H 83 4.378 4.634 -0.256 1
1 794 . 17 1 1 A 83 83 LYS CA C 83 56.618 54.916 1.702 1
1 795 . 17 1 1 A 83 83 LYS CB C 83 33.767 33.802 -0.035 1
1 799 . 17 1 1 A 83 83 LYS N N 83 122.901 114.376 8.525 1
1 6 . 18 1 1 A 2 2 ALA H H 2 8.448 8.632 -0.184 1
1 7 . 18 1 1 A 2 2 ALA HA H 2 4.314 4.829 -0.515 1
1 11 . 18 1 1 A 2 2 ALA C C 2 177.731 175.965 1.766 1
1 12 . 18 1 1 A 2 2 ALA CA C 2 53.711 51.568 2.143 1
1 13 . 18 1 1 A 2 2 ALA CB C 2 19.629 22.997 -3.368 1
1 14 . 18 1 1 A 2 2 ALA N N 2 125.995 124.948 1.047 1
1 15 . 18 1 1 A 3 3 ALA H H 3 8.148 8.593 -0.445 1
1 16 . 18 1 1 A 3 3 ALA HA H 3 4.292 4.962 -0.670 1
1 20 . 18 1 1 A 3 3 ALA C C 3 177.888 176.746 1.142 1
1 21 . 18 1 1 A 3 3 ALA CA C 3 53.439 50.946 2.493 1
1 22 . 18 1 1 A 3 3 ALA CB C 3 19.671 20.528 -0.857 1
1 23 . 18 1 1 A 3 3 ALA N N 3 121.767 124.223 -2.456 1
1 24 . 18 1 1 A 4 4 LYS H H 4 8.047 8.610 -0.563 1
1 25 . 18 1 1 A 4 4 LYS HA H 4 4.314 4.992 -0.678 1
1 27 . 18 1 1 A 4 4 LYS C C 4 177.363 175.188 2.175 1
1 28 . 18 1 1 A 4 4 LYS CA C 4 57.279 55.086 2.193 1
1 29 . 18 1 1 A 4 4 LYS CB C 4 33.570 36.286 -2.716 1
1 33 . 18 1 1 A 4 4 LYS N N 4 119.233 121.632 -2.399 1
1 34 . 18 1 1 A 5 5 GLY H H 5 8.317 8.571 -0.254 1
1 35 . 18 1 1 A 5 5 GLY HA2 H 5 4.039 4.266 -0.227 1
1 36 . 18 1 1 A 5 5 GLY C C 5 174.706 173.978 0.728 1
1 37 . 18 1 1 A 5 5 GLY CA C 5 46.246 45.811 0.435 1
1 38 . 18 1 1 A 5 5 GLY N N 5 109.070 112.023 -2.953 1
1 39 . 18 1 1 A 6 6 THR H H 6 8.002 7.832 0.170 1
1 40 . 18 1 1 A 6 6 THR HA H 6 4.357 4.679 -0.322 1
1 42 . 18 1 1 A 6 6 THR C C 6 174.839 175.129 -0.290 1
1 43 . 18 1 1 A 6 6 THR CA C 6 62.444 60.754 1.690 1
1 44 . 18 1 1 A 6 6 THR CB C 6 70.490 69.819 0.671 1
1 46 . 18 1 1 A 6 6 THR N N 6 112.809 114.296 -1.487 1
1 47 . 18 1 1 A 7 7 ALA H H 7 8.309 7.818 0.491 1
1 48 . 18 1 1 A 7 7 ALA HA H 7 4.322 4.386 -0.064 1
1 52 . 18 1 1 A 7 7 ALA C C 7 178.032 177.606 0.426 1
1 53 . 18 1 1 A 7 7 ALA CA C 7 53.792 53.806 -0.014 1
1 54 . 18 1 1 A 7 7 ALA CB C 7 19.733 19.401 0.332 1
1 55 . 18 1 1 A 7 7 ALA N N 7 125.292 125.898 -0.606 1
1 56 . 18 1 1 A 8 8 GLU H H 8 8.358 8.022 0.336 1
1 57 . 18 1 1 A 8 8 GLU HA H 8 4.297 4.279 0.018 1
1 59 . 18 1 1 A 8 8 GLU C C 8 176.936 176.502 0.434 1
1 60 . 18 1 1 A 8 8 GLU CA C 8 57.618 57.154 0.464 1
1 61 . 18 1 1 A 8 8 GLU CB C 8 30.792 29.639 1.153 1
1 63 . 18 1 1 A 8 8 GLU N N 8 118.943 117.485 1.458 1
1 64 . 18 1 1 A 9 9 THR H H 9 7.974 8.751 -0.777 1
1 65 . 18 1 1 A 9 9 THR HA H 9 4.365 4.628 -0.263 1
1 67 . 18 1 1 A 9 9 THR C C 9 174.629 173.961 0.668 1
1 68 . 18 1 1 A 9 9 THR CA C 9 62.617 60.132 2.485 1
1 69 . 18 1 1 A 9 9 THR CB C 9 70.422 68.503 1.919 1
1 71 . 18 1 1 A 9 9 THR N N 9 113.540 116.982 -3.442 1
1 72 . 18 1 1 A 10 10 LYS H H 10 8.242 7.980 0.262 1
1 73 . 18 1 1 A 10 10 LYS HA H 10 4.314 3.761 0.553 1
1 75 . 18 1 1 A 10 10 LYS C C 10 176.513 174.795 1.718 1
1 76 . 18 1 1 A 10 10 LYS CA C 10 57.173 57.343 -0.170 1
1 77 . 18 1 1 A 10 10 LYS CB C 10 33.511 29.587 3.924 1
1 81 . 18 1 1 A 10 10 LYS N N 10 123.339 115.161 8.178 1
1 82 . 18 1 1 A 11 11 GLN H H 11 8.381 7.567 0.814 1
1 83 . 18 1 1 A 11 11 GLN HA H 11 4.322 4.885 -0.563 1
1 89 . 18 1 1 A 11 11 GLN C C 11 176.073 175.061 1.012 1
1 90 . 18 1 1 A 11 11 GLN CA C 11 56.689 54.185 2.504 1
1 91 . 18 1 1 A 11 11 GLN CB C 11 29.940 31.610 -1.670 1
1 93 . 18 1 1 A 11 11 GLN N N 11 120.885 116.599 4.286 1
1 95 . 18 1 1 A 12 12 GLU H H 12 8.407 9.054 -0.647 1
1 96 . 18 1 1 A 12 12 GLU HA H 12 4.304 4.588 -0.284 1
1 98 . 18 1 1 A 12 12 GLU C C 12 176.253 176.755 -0.502 1
1 99 . 18 1 1 A 12 12 GLU CA C 12 57.536 57.224 0.312 1
1 100 . 18 1 1 A 12 12 GLU CB C 12 30.799 32.290 -1.491 1
1 102 . 18 1 1 A 12 12 GLU N N 12 121.152 119.537 1.615 1
1 103 . 18 1 1 A 13 13 LYS H H 13 8.220 7.663 0.557 1
1 104 . 18 1 1 A 13 13 LYS HA H 13 4.542 4.568 -0.026 1
1 108 . 18 1 1 A 13 13 LYS C C 13 175.856 174.363 1.493 1
1 109 . 18 1 1 A 13 13 LYS CA C 13 56.335 56.139 0.196 1
1 110 . 18 1 1 A 13 13 LYS CB C 13 33.863 34.115 -0.252 1
1 114 . 18 1 1 A 13 13 LYS N N 13 121.312 117.340 3.972 1
1 115 . 18 1 1 A 14 14 SER H H 14 8.447 8.910 -0.463 1
1 116 . 18 1 1 A 14 14 SER HA H 14 4.639 4.899 -0.260 1
1 119 . 18 1 1 A 14 14 SER C C 14 175.529 174.811 0.718 1
1 120 . 18 1 1 A 14 14 SER CA C 14 58.802 57.199 1.603 1
1 121 . 18 1 1 A 14 14 SER CB C 14 64.803 67.096 -2.293 1
1 122 . 18 1 1 A 14 14 SER N N 14 116.487 121.040 -4.553 1
1 123 . 18 1 1 A 15 15 PHE H H 15 8.802 8.712 0.090 1
1 124 . 18 1 1 A 15 15 PHE HA H 15 4.448 4.259 0.189 1
1 129 . 18 1 1 A 15 15 PHE C C 15 176.935 177.547 -0.612 1
1 130 . 18 1 1 A 15 15 PHE CA C 15 62.188 60.437 1.751 1
1 131 . 18 1 1 A 15 15 PHE CB C 15 39.721 38.047 1.674 1
1 132 . 18 1 1 A 15 15 PHE N N 15 124.339 122.622 1.717 1
1 133 . 18 1 1 A 16 16 VAL H H 16 8.025 7.599 0.426 1
1 134 . 18 1 1 A 16 16 VAL HA H 16 3.490 3.824 -0.334 1
1 142 . 18 1 1 A 16 16 VAL C C 16 177.123 177.318 -0.195 1
1 143 . 18 1 1 A 16 16 VAL CA C 16 67.959 64.855 3.104 1
1 144 . 18 1 1 A 16 16 VAL CB C 16 32.250 31.009 1.241 1
1 147 . 18 1 1 A 16 16 VAL N N 16 118.329 121.431 -3.102 1
1 148 . 18 1 1 A 17 17 ASP H H 17 7.926 8.176 -0.250 1
1 149 . 18 1 1 A 17 17 ASP HA H 17 4.354 4.311 0.043 1
1 152 . 18 1 1 A 17 17 ASP C C 17 179.625 178.361 1.264 1
1 153 . 18 1 1 A 17 17 ASP CA C 17 58.204 57.271 0.933 1
1 154 . 18 1 1 A 17 17 ASP CB C 17 41.324 41.545 -0.221 1
1 155 . 18 1 1 A 17 17 ASP N N 17 118.753 121.039 -2.286 1
1 156 . 18 1 1 A 18 18 TRP H H 18 8.174 7.954 0.220 1
1 157 . 18 1 1 A 18 18 TRP HA H 18 4.111 4.339 -0.228 1
1 163 . 18 1 1 A 18 18 TRP CA C 18 62.194 59.811 2.383 1
1 164 . 18 1 1 A 18 18 TRP CB C 18 29.150 30.232 -1.082 1
1 165 . 18 1 1 A 18 18 TRP N N 18 122.311 121.523 0.788 1
1 167 . 18 1 1 A 19 19 LEU H H 19 8.517 8.417 0.100 1
1 168 . 18 1 1 A 19 19 LEU HA H 19 3.447 4.180 -0.733 1
1 178 . 18 1 1 A 19 19 LEU C C 19 179.115 178.738 0.377 1
1 179 . 18 1 1 A 19 19 LEU CA C 19 58.630 58.373 0.257 1
1 180 . 18 1 1 A 19 19 LEU CB C 19 42.676 42.032 0.644 1
1 184 . 18 1 1 A 19 19 LEU N N 19 120.943 121.586 -0.643 1
1 185 . 18 1 1 A 20 20 LEU H H 20 8.713 8.561 0.152 1
1 186 . 18 1 1 A 20 20 LEU HA H 20 3.972 4.080 -0.108 1
1 196 . 18 1 1 A 20 20 LEU C C 20 180.266 178.593 1.673 1
1 197 . 18 1 1 A 20 20 LEU CA C 20 58.318 57.779 0.539 1
1 198 . 18 1 1 A 20 20 LEU CB C 20 41.655 41.450 0.205 1
1 202 . 18 1 1 A 20 20 LEU N N 20 117.598 119.833 -2.235 1
1 203 . 18 1 1 A 21 21 GLY H H 21 7.783 8.207 -0.424 1
1 204 . 18 1 1 A 21 21 GLY HA2 H 21 3.829 3.808 0.021 1
1 205 . 18 1 1 A 21 21 GLY C C 21 175.390 174.957 0.433 1
1 206 . 18 1 1 A 21 21 GLY CA C 21 46.978 46.616 0.362 1
1 207 . 18 1 1 A 21 21 GLY N N 21 106.102 106.853 -0.751 1
1 208 . 18 1 1 A 22 22 LYS H H 22 7.443 7.595 -0.152 1
1 209 . 18 1 1 A 22 22 LYS HA H 22 4.090 4.303 -0.213 1
1 217 . 18 1 1 A 22 22 LYS C C 22 177.806 177.363 0.443 1
1 218 . 18 1 1 A 22 22 LYS CA C 22 56.974 57.019 -0.045 1
1 219 . 18 1 1 A 22 22 LYS CB C 22 32.718 33.168 -0.450 1
1 223 . 18 1 1 A 22 22 LYS N N 22 118.883 120.095 -1.212 1
1 224 . 18 1 1 A 23 23 ILE H H 23 7.550 7.939 -0.389 1
1 225 . 18 1 1 A 23 23 ILE HA H 23 4.165 4.169 -0.004 1
1 235 . 18 1 1 A 23 23 ILE C C 23 175.996 176.870 -0.874 1
1 236 . 18 1 1 A 23 23 ILE CA C 23 62.916 62.080 0.836 1
1 237 . 18 1 1 A 23 23 ILE CB C 23 39.444 39.022 0.422 1
1 241 . 18 1 1 A 23 23 ILE N N 23 114.457 117.742 -3.285 1
1 242 . 18 1 1 A 24 24 THR H H 24 7.778 8.021 -0.243 1
1 243 . 18 1 1 A 24 24 THR HA H 24 4.379 4.689 -0.310 1
1 248 . 18 1 1 A 24 24 THR C C 24 174.616 173.621 0.995 1
1 249 . 18 1 1 A 24 24 THR CA C 24 62.699 60.658 2.041 1
1 250 . 18 1 1 A 24 24 THR CB C 24 70.567 69.376 1.191 1
1 252 . 18 1 1 A 24 24 THR N N 24 113.224 113.310 -0.086 1
1 253 . 18 1 1 A 25 25 LYS H H 25 7.956 7.386 0.570 1
1 259 . 18 1 1 A 25 25 LYS CA C 25 56.696 55.987 0.709 1
1 260 . 18 1 1 A 25 25 LYS CB C 25 33.428 32.785 0.643 1
1 262 . 18 1 1 A 25 25 LYS N N 25 122.468 120.567 1.901 1
1 263 . 18 1 1 A 26 26 GLU H H 26 8.392 8.734 -0.342 1
1 264 . 18 1 1 A 26 26 GLU HA H 26 4.230 3.927 0.303 1
1 268 . 18 1 1 A 26 26 GLU C C 26 176.320 176.446 -0.126 1
1 269 . 18 1 1 A 26 26 GLU CA C 26 57.616 59.192 -1.576 1
1 270 . 18 1 1 A 26 26 GLU CB C 26 30.854 30.205 0.649 1
1 272 . 18 1 1 A 26 26 GLU N N 26 121.068 119.906 1.162 1
1 273 . 18 1 1 A 27 27 ASP H H 27 8.299 7.825 0.474 1
1 274 . 18 1 1 A 27 27 ASP HA H 27 4.496 4.820 -0.324 1
1 276 . 18 1 1 A 27 27 ASP C C 27 175.931 174.632 1.299 1
1 277 . 18 1 1 A 27 27 ASP CA C 27 55.161 53.504 1.657 1
1 278 . 18 1 1 A 27 27 ASP CB C 27 41.532 41.404 0.128 1
1 279 . 18 1 1 A 27 27 ASP N N 27 119.412 118.555 0.857 1
1 280 . 18 1 1 A 28 28 GLN H H 28 8.108 7.549 0.559 1
1 281 . 18 1 1 A 28 28 GLN HA H 28 4.215 4.616 -0.401 1
1 286 . 18 1 1 A 28 28 GLN C C 28 175.845 173.688 2.157 1
1 287 . 18 1 1 A 28 28 GLN CA C 28 56.559 54.885 1.674 1
1 288 . 18 1 1 A 28 28 GLN CB C 28 30.105 30.840 -0.735 1
1 290 . 18 1 1 A 28 28 GLN N N 28 119.037 115.520 3.517 1
1 292 . 18 1 1 A 29 29 PHE H H 29 8.235 8.561 -0.326 1
1 293 . 18 1 1 A 29 29 PHE HA H 29 4.514 4.733 -0.219 1
1 299 . 18 1 1 A 29 29 PHE C C 29 175.361 172.816 2.545 1
1 300 . 18 1 1 A 29 29 PHE CA C 29 58.810 57.699 1.111 1
1 301 . 18 1 1 A 29 29 PHE CB C 29 40.000 39.928 0.072 1
1 302 . 18 1 1 A 29 29 PHE N N 29 120.622 120.811 -0.189 1
1 303 . 18 1 1 A 30 30 TYR H H 30 7.715 8.850 -1.135 1
1 304 . 18 1 1 A 30 30 TYR HA H 30 4.508 5.190 -0.682 1
1 310 . 18 1 1 A 30 30 TYR C C 30 175.416 174.582 0.834 1
1 311 . 18 1 1 A 30 30 TYR CA C 30 58.544 56.458 2.086 1
1 312 . 18 1 1 A 30 30 TYR CB C 30 39.613 42.089 -2.476 1
1 313 . 18 1 1 A 30 30 TYR N N 30 119.864 125.840 -5.976 1
1 314 . 18 1 1 A 31 31 GLU H H 31 8.187 8.788 -0.601 1
1 315 . 18 1 1 A 31 31 GLU HA H 31 4.293 4.738 -0.445 1
1 319 . 18 1 1 A 31 31 GLU C C 31 176.148 176.248 -0.100 1
1 320 . 18 1 1 A 31 31 GLU CA C 31 57.172 55.412 1.760 1
1 321 . 18 1 1 A 31 31 GLU CB C 31 30.845 30.035 0.810 1
1 323 . 18 1 1 A 31 31 GLU N N 31 121.546 121.230 0.316 1
1 324 . 18 1 1 A 32 32 THR H H 32 7.864 7.930 -0.066 1
1 325 . 18 1 1 A 32 32 THR HA H 32 4.359 4.620 -0.261 1
1 330 . 18 1 1 A 32 32 THR C C 32 173.970 173.715 0.255 1
1 331 . 18 1 1 A 32 32 THR CA C 32 62.043 61.187 0.856 1
1 332 . 18 1 1 A 32 32 THR CB C 32 70.721 69.283 1.438 1
1 334 . 18 1 1 A 32 32 THR N N 32 113.695 114.633 -0.938 1
1 335 . 18 1 1 A 33 33 ASP H H 33 8.317 8.117 0.200 1
1 336 . 18 1 1 A 33 33 ASP HA H 33 4.880 4.285 0.595 1
1 339 . 18 1 1 A 33 33 ASP CA C 33 53.661 54.731 -1.070 1
1 340 . 18 1 1 A 33 33 ASP CB C 33 41.474 39.441 2.033 1
1 341 . 18 1 1 A 33 33 ASP N N 33 123.601 119.294 4.307 1
1 342 . 18 1 1 A 34 34 PRO HA H 34 4.408 4.635 -0.227 1
1 348 . 18 1 1 A 34 34 PRO C C 34 174.420 175.805 -1.385 1
1 349 . 18 1 1 A 34 34 PRO CA C 34 64.164 62.420 1.744 1
1 350 . 18 1 1 A 34 34 PRO CB C 34 32.774 29.491 3.283 1
1 353 . 18 1 1 A 35 35 ILE H H 35 8.143 7.875 0.268 1
1 354 . 18 1 1 A 35 35 ILE HA H 35 4.046 4.904 -0.858 1
1 364 . 18 1 1 A 35 35 ILE C C 35 176.474 174.834 1.640 1
1 365 . 18 1 1 A 35 35 ILE CA C 35 62.937 58.714 4.223 1
1 366 . 18 1 1 A 35 35 ILE CB C 35 39.275 41.995 -2.720 1
1 370 . 18 1 1 A 35 35 ILE N N 35 120.322 117.669 2.653 1
1 371 . 18 1 1 A 36 36 LEU H H 36 7.975 8.744 -0.769 1
1 372 . 18 1 1 A 36 36 LEU HA H 36 4.398 4.483 -0.085 1
1 381 . 18 1 1 A 36 36 LEU C C 36 177.299 176.693 0.606 1
1 382 . 18 1 1 A 36 36 LEU CA C 36 56.022 55.990 0.032 1
1 383 . 18 1 1 A 36 36 LEU CB C 36 42.837 43.736 -0.899 1
1 387 . 18 1 1 A 36 36 LEU N N 36 121.023 122.664 -1.641 1
1 388 . 18 1 1 A 37 37 ARG H H 37 7.932 8.053 -0.121 1
1 389 . 18 1 1 A 37 37 ARG HA H 37 4.345 4.515 -0.170 1
1 395 . 18 1 1 A 37 37 ARG C C 37 176.869 176.212 0.657 1
1 396 . 18 1 1 A 37 37 ARG CA C 37 56.912 55.354 1.558 1
1 397 . 18 1 1 A 37 37 ARG CB C 37 31.127 30.810 0.317 1
1 400 . 18 1 1 A 37 37 ARG N N 37 118.673 117.190 1.483 1
1 402 . 18 1 1 A 38 38 GLY H H 38 8.271 8.890 -0.619 1
1 403 . 18 1 1 A 38 38 GLY HA2 H 38 3.986 3.918 0.068 1
1 404 . 18 1 1 A 38 38 GLY C C 38 174.864 173.907 0.957 1
1 405 . 18 1 1 A 38 38 GLY CA C 38 46.258 45.347 0.911 1
1 406 . 18 1 1 A 38 38 GLY N N 38 108.377 107.689 0.688 1
1 407 . 18 1 1 A 39 39 GLY H H 39 8.218 8.446 -0.228 1
1 408 . 18 1 1 A 39 39 GLY HA2 H 39 3.998 4.062 -0.064 1
1 409 . 18 1 1 A 39 39 GLY C C 39 174.158 173.686 0.472 1
1 410 . 18 1 1 A 39 39 GLY CA C 39 46.187 44.152 2.035 1
1 411 . 18 1 1 A 39 39 GLY N N 39 108.485 107.855 0.630 1
1 412 . 18 1 1 A 40 40 ASP H H 40 8.274 8.758 -0.484 1
1 413 . 18 1 1 A 40 40 ASP HA H 40 4.699 4.823 -0.124 1
1 415 . 18 1 1 A 40 40 ASP C C 40 176.791 177.339 -0.548 1
1 416 . 18 1 1 A 40 40 ASP CA C 40 55.105 55.393 -0.288 1
1 417 . 18 1 1 A 40 40 ASP CB C 40 41.715 42.258 -0.543 1
1 418 . 18 1 1 A 40 40 ASP N N 40 120.261 120.520 -0.259 1
1 419 . 18 1 1 A 41 41 VAL H H 41 8.071 8.313 -0.242 1
1 420 . 18 1 1 A 41 41 VAL HA H 41 3.993 3.740 0.253 1
1 425 . 18 1 1 A 41 41 VAL C C 41 176.869 176.825 0.044 1
1 426 . 18 1 1 A 41 41 VAL CA C 41 64.502 66.347 -1.845 1
1 427 . 18 1 1 A 41 41 VAL CB C 41 32.773 31.939 0.834 1
1 429 . 18 1 1 A 41 41 VAL N N 41 120.111 120.386 -0.275 1
1 430 . 18 1 1 A 42 42 LYS H H 42 8.213 7.506 0.707 1
1 431 . 18 1 1 A 42 42 LYS HA H 42 4.299 4.556 -0.257 1
1 434 . 18 1 1 A 42 42 LYS C C 42 177.041 175.634 1.407 1
1 435 . 18 1 1 A 42 42 LYS CA C 42 57.639 55.478 2.161 1
1 436 . 18 1 1 A 42 42 LYS CB C 42 33.227 30.695 2.532 1
1 440 . 18 1 1 A 42 42 LYS N N 42 121.557 118.794 2.763 1
1 441 . 18 1 1 A 43 43 SER H H 43 8.126 7.724 0.402 1
1 442 . 18 1 1 A 43 43 SER HA H 43 4.452 4.615 -0.163 1
1 444 . 18 1 1 A 43 43 SER C C 43 175.085 174.222 0.863 1
1 445 . 18 1 1 A 43 43 SER CA C 43 59.403 57.816 1.587 1
1 446 . 18 1 1 A 43 43 SER CB C 43 64.208 65.783 -1.575 1
1 447 . 18 1 1 A 43 43 SER N N 43 115.295 114.786 0.509 1
1 448 . 18 1 1 A 44 44 SER H H 44 8.251 8.636 -0.385 1
1 449 . 18 1 1 A 44 44 SER HA H 44 4.479 4.714 -0.235 1
1 451 . 18 1 1 A 44 44 SER C C 44 175.331 174.220 1.111 1
1 452 . 18 1 1 A 44 44 SER CA C 44 59.701 57.894 1.807 1
1 453 . 18 1 1 A 44 44 SER CB C 44 64.453 64.709 -0.256 1
1 454 . 18 1 1 A 44 44 SER N N 44 117.357 118.094 -0.737 1
1 455 . 18 1 1 A 45 45 GLY H H 45 8.401 8.412 -0.011 1
1 456 . 18 1 1 A 45 45 GLY HA2 H 45 4.030 4.231 -0.201 1
1 457 . 18 1 1 A 45 45 GLY C C 45 174.472 172.529 1.943 1
1 458 . 18 1 1 A 45 45 GLY CA C 45 46.258 45.194 1.064 1
1 459 . 18 1 1 A 45 45 GLY N N 45 110.523 109.286 1.237 1
1 460 . 18 1 1 A 46 46 SER H H 46 8.177 8.544 -0.367 1
1 461 . 18 1 1 A 46 46 SER HA H 46 4.536 5.252 -0.716 1
1 463 . 18 1 1 A 46 46 SER C C 46 175.206 173.950 1.256 1
1 464 . 18 1 1 A 46 46 SER CA C 46 59.244 57.200 2.044 1
1 465 . 18 1 1 A 46 46 SER CB C 46 64.484 64.953 -0.469 1
1 466 . 18 1 1 A 46 46 SER N N 46 115.297 116.041 -0.744 1
1 467 . 18 1 1 A 47 47 THR H H 47 8.198 8.860 -0.662 1
1 468 . 18 1 1 A 47 47 THR HA H 47 4.432 5.231 -0.799 1
1 470 . 18 1 1 A 47 47 THR C C 47 174.939 173.956 0.983 1
1 471 . 18 1 1 A 47 47 THR CA C 47 62.746 59.556 3.190 1
1 472 . 18 1 1 A 47 47 THR CB C 47 70.246 71.875 -1.629 1
1 474 . 18 1 1 A 47 47 THR N N 47 114.635 114.741 -0.106 1
1 475 . 18 1 1 A 48 48 SER H H 48 8.228 8.760 -0.532 1
1 476 . 18 1 1 A 48 48 SER HA H 48 4.473 5.148 -0.675 1
1 478 . 18 1 1 A 48 48 SER C C 48 175.241 173.374 1.867 1
1 479 . 18 1 1 A 48 48 SER CA C 48 59.480 56.436 3.044 1
1 480 . 18 1 1 A 48 48 SER CB C 48 64.429 66.058 -1.629 1
1 481 . 18 1 1 A 48 48 SER N N 48 117.146 114.015 3.131 1
1 482 . 18 1 1 A 49 49 GLY H H 49 8.342 8.262 0.080 1
1 483 . 18 1 1 A 49 49 GLY HA2 H 49 4.048 3.943 0.105 1
1 484 . 18 1 1 A 49 49 GLY C C 49 174.776 174.318 0.458 1
1 485 . 18 1 1 A 49 49 GLY CA C 49 46.233 45.459 0.774 1
1 486 . 18 1 1 A 49 49 GLY N N 49 110.627 107.919 2.708 1
1 487 . 18 1 1 A 50 50 LYS H H 50 8.124 7.825 0.299 1
1 488 . 18 1 1 A 50 50 LYS HA H 50 4.302 4.474 -0.172 1
1 490 . 18 1 1 A 50 50 LYS C C 50 176.932 176.034 0.898 1
1 491 . 18 1 1 A 50 50 LYS CA C 50 57.333 55.956 1.377 1
1 492 . 18 1 1 A 50 50 LYS CB C 50 33.497 32.446 1.051 1
1 496 . 18 1 1 A 50 50 LYS N N 50 120.037 122.117 -2.080 1
1 497 . 18 1 1 A 51 51 LYS H H 51 8.089 7.763 0.326 1
1 498 . 18 1 1 A 51 51 LYS HA H 51 4.325 4.783 -0.458 1
1 500 . 18 1 1 A 51 51 LYS C C 51 177.169 175.965 1.204 1
1 501 . 18 1 1 A 51 51 LYS CA C 51 57.251 54.923 2.328 1
1 502 . 18 1 1 A 51 51 LYS CB C 51 33.293 34.735 -1.442 1
1 506 . 18 1 1 A 51 51 LYS N N 51 120.805 119.861 0.944 1
1 507 . 18 1 1 A 52 52 GLY H H 52 8.304 8.442 -0.138 1
1 508 . 18 1 1 A 52 52 GLY HA2 H 52 4.005 4.181 -0.176 1
1 509 . 18 1 1 A 52 52 GLY C C 52 174.545 173.689 0.856 1
1 510 . 18 1 1 A 52 52 GLY CA C 52 46.250 45.458 0.792 1
1 511 . 18 1 1 A 52 52 GLY N N 52 109.109 108.611 0.498 1
1 512 . 18 1 1 A 53 53 GLY H H 53 8.201 8.229 -0.028 1
1 513 . 18 1 1 A 53 53 GLY HA2 H 53 4.051 4.270 -0.219 1
1 514 . 18 1 1 A 53 53 GLY C C 53 174.771 172.667 2.104 1
1 515 . 18 1 1 A 53 53 GLY CA C 53 46.204 44.428 1.776 1
1 516 . 18 1 1 A 53 53 GLY N N 53 108.474 108.307 0.167 1
1 517 . 18 1 1 A 54 54 THR H H 54 8.115 8.836 -0.721 1
1 518 . 18 1 1 A 54 54 THR HA H 54 4.442 5.061 -0.619 1
1 522 . 18 1 1 A 54 54 THR C C 54 175.190 172.977 2.213 1
1 523 . 18 1 1 A 54 54 THR CA C 54 62.904 60.324 2.580 1
1 524 . 18 1 1 A 54 54 THR CB C 54 70.261 69.704 0.557 1
1 525 . 18 1 1 A 54 54 THR N N 54 113.386 113.606 -0.220 1
1 526 . 18 1 1 A 55 55 THR H H 55 8.158 8.871 -0.713 1
1 527 . 18 1 1 A 55 55 THR HA H 55 4.452 4.731 -0.279 1
1 531 . 18 1 1 A 55 55 THR C C 55 175.050 174.740 0.310 1
1 532 . 18 1 1 A 55 55 THR CA C 55 62.740 60.350 2.390 1
1 533 . 18 1 1 A 55 55 THR CB C 55 70.171 70.667 -0.496 1
1 535 . 18 1 1 A 55 55 THR N N 55 114.825 121.737 -6.912 1
1 536 . 18 1 1 A 56 56 SER H H 56 8.233 8.594 -0.361 1
1 537 . 18 1 1 A 56 56 SER HA H 56 4.484 4.305 0.179 1
1 539 . 18 1 1 A 56 56 SER C C 56 175.314 175.324 -0.010 1
1 540 . 18 1 1 A 56 56 SER CA C 56 59.419 59.250 0.169 1
1 541 . 18 1 1 A 56 56 SER CB C 56 64.576 63.985 0.591 1
1 542 . 18 1 1 A 56 56 SER N N 56 117.144 117.994 -0.850 1
1 543 . 18 1 1 A 57 57 GLY H H 57 8.340 8.641 -0.301 1
1 544 . 18 1 1 A 57 57 GLY HA2 H 57 4.043 3.982 0.061 1
1 545 . 18 1 1 A 57 57 GLY C C 57 176.801 174.321 2.480 1
1 546 . 18 1 1 A 57 57 GLY CA C 57 45.927 45.301 0.626 1
1 547 . 18 1 1 A 57 57 GLY N N 57 110.613 110.947 -0.334 1
1 548 . 18 1 1 A 58 58 LYS H H 58 8.125 7.693 0.432 1
1 549 . 18 1 1 A 58 58 LYS HA H 58 4.313 4.669 -0.356 1
1 554 . 18 1 1 A 58 58 LYS C C 58 176.220 175.966 0.254 1
1 555 . 18 1 1 A 58 58 LYS CA C 58 57.524 54.729 2.795 1
1 556 . 18 1 1 A 58 58 LYS CB C 58 33.485 35.075 -1.590 1
1 560 . 18 1 1 A 58 58 LYS N N 58 120.526 121.345 -0.819 1
1 561 . 18 1 1 A 59 59 LYS H H 59 8.227 8.838 -0.611 1
1 562 . 18 1 1 A 59 59 LYS HA H 59 4.202 4.618 -0.416 1
1 567 . 18 1 1 A 59 59 LYS C C 59 177.075 177.499 -0.424 1
1 568 . 18 1 1 A 59 59 LYS CA C 59 58.240 56.114 2.126 1
1 569 . 18 1 1 A 59 59 LYS CB C 59 33.354 34.520 -1.166 1
1 573 . 18 1 1 A 59 59 LYS N N 59 121.098 124.961 -3.863 1
1 574 . 18 1 1 A 60 60 GLY H H 60 8.337 8.101 0.236 1
1 575 . 18 1 1 A 60 60 GLY HA2 H 60 4.047 3.964 0.083 1
1 576 . 18 1 1 A 60 60 GLY C C 60 174.631 174.923 -0.292 1
1 577 . 18 1 1 A 60 60 GLY CA C 60 46.282 46.221 0.061 1
1 578 . 18 1 1 A 60 60 GLY N N 60 109.436 108.413 1.023 1
1 579 . 18 1 1 A 61 61 THR H H 61 7.947 7.893 0.054 1
1 580 . 18 1 1 A 61 61 THR HA H 61 4.396 4.641 -0.245 1
1 585 . 18 1 1 A 61 61 THR C C 61 174.470 175.605 -1.135 1
1 586 . 18 1 1 A 61 61 THR CA C 61 62.795 62.364 0.431 1
1 587 . 18 1 1 A 61 61 THR CB C 61 70.637 70.334 0.303 1
1 589 . 18 1 1 A 61 61 THR N N 61 112.095 110.909 1.186 1
1 590 . 18 1 1 A 62 62 VAL H H 62 7.788 7.919 -0.131 1
1 591 . 18 1 1 A 62 62 VAL HA H 62 4.243 4.350 -0.107 1
1 596 . 18 1 1 A 62 62 VAL CA C 62 62.733 63.422 -0.689 1
1 597 . 18 1 1 A 62 62 VAL CB C 62 33.693 33.732 -0.039 1
1 599 . 18 1 1 A 62 62 VAL N N 62 120.973 122.093 -1.120 1
1 600 . 18 1 1 A 63 63 SER H H 63 8.052 8.203 -0.151 1
1 601 . 18 1 1 A 63 63 SER HA H 63 4.665 4.093 0.572 1
1 604 . 18 1 1 A 63 63 SER CA C 63 57.747 61.775 -4.028 1
1 605 . 18 1 1 A 63 63 SER CB C 63 64.991 62.966 2.025 1
1 606 . 18 1 1 A 63 63 SER N N 63 119.427 117.189 2.238 1
1 607 . 18 1 1 A 64 64 ILE H H 64 8.191 7.418 0.773 1
1 608 . 18 1 1 A 64 64 ILE HA H 64 4.313 4.291 0.022 1
1 617 . 18 1 1 A 64 64 ILE CA C 64 59.873 60.200 -0.327 1
1 618 . 18 1 1 A 64 64 ILE CB C 64 38.818 37.535 1.283 1
1 621 . 18 1 1 A 64 64 ILE N N 64 122.947 118.285 4.662 1
1 622 . 18 1 1 A 65 65 PRO HA H 65 4.466 4.315 0.151 1
1 628 . 18 1 1 A 65 65 PRO CA C 65 64.303 64.497 -0.194 1
1 629 . 18 1 1 A 65 65 PRO CB C 65 32.672 32.019 0.653 1
1 632 . 18 1 1 A 66 66 SER H H 66 8.002 8.158 -0.156 1
1 633 . 18 1 1 A 66 66 SER HA H 66 4.498 4.382 0.116 1
1 635 . 18 1 1 A 66 66 SER CA C 66 58.702 60.308 -1.606 1
1 636 . 18 1 1 A 66 66 SER CB C 66 64.819 62.891 1.928 1
1 637 . 18 1 1 A 66 66 SER N N 66 112.889 115.243 -2.354 1
1 638 . 18 1 1 A 67 67 LYS H H 67 8.137 8.439 -0.302 1
1 639 . 18 1 1 A 67 67 LYS HA H 67 4.347 4.401 -0.054 1
1 641 . 18 1 1 A 67 67 LYS C C 67 176.555 175.082 1.473 1
1 642 . 18 1 1 A 67 67 LYS CA C 67 57.061 55.550 1.511 1
1 643 . 18 1 1 A 67 67 LYS CB C 67 33.669 33.019 0.650 1
1 647 . 18 1 1 A 67 67 LYS N N 67 122.114 121.097 1.017 1
1 648 . 18 1 1 A 68 68 LYS H H 68 8.118 7.537 0.581 1
1 649 . 18 1 1 A 68 68 LYS HA H 68 4.322 4.815 -0.493 1
1 651 . 18 1 1 A 68 68 LYS C C 68 176.446 174.515 1.931 1
1 652 . 18 1 1 A 68 68 LYS CA C 68 57.043 54.582 2.461 1
1 653 . 18 1 1 A 68 68 LYS CB C 68 33.531 35.458 -1.927 1
1 657 . 18 1 1 A 68 68 LYS N N 68 121.435 123.524 -2.089 1
1 658 . 18 1 1 A 69 69 LYS H H 69 8.394 8.429 -0.035 1
1 659 . 18 1 1 A 69 69 LYS HA H 69 4.351 4.514 -0.163 1
1 663 . 18 1 1 A 69 69 LYS C C 69 175.623 175.993 -0.370 1
1 664 . 18 1 1 A 69 69 LYS CA C 69 56.762 56.656 0.106 1
1 665 . 18 1 1 A 69 69 LYS CB C 69 33.782 34.462 -0.680 1
1 669 . 18 1 1 A 69 69 LYS N N 69 121.052 119.519 1.533 1
1 670 . 18 1 1 A 70 70 ASN H H 70 8.014 8.108 -0.094 1
1 671 . 18 1 1 A 70 70 ASN HA H 70 4.515 4.711 -0.196 1
1 675 . 18 1 1 A 70 70 ASN CA C 70 55.331 55.548 -0.217 1
1 676 . 18 1 1 A 70 70 ASN CB C 70 41.478 37.394 4.084 1
1 677 . 18 1 1 A 70 70 ASN N N 70 125.005 115.985 9.020 1
1 679 . 18 1 1 A 71 71 GLY H H 71 8.255 8.570 -0.315 1
1 680 . 18 1 1 A 71 71 GLY HA2 H 71 3.986 4.201 -0.215 1
1 681 . 18 1 1 A 71 71 GLY C C 71 174.458 172.592 1.866 1
1 682 . 18 1 1 A 71 71 GLY CA C 71 46.110 44.273 1.837 1
1 683 . 18 1 1 A 71 71 GLY N N 71 114.247 107.900 6.347 1
1 684 . 18 1 1 A 72 72 ASN H H 72 8.462 8.933 -0.471 1
1 685 . 18 1 1 A 72 72 ASN HA H 72 4.796 5.216 -0.420 1
1 689 . 18 1 1 A 72 72 ASN C C 72 175.757 175.614 0.143 1
1 690 . 18 1 1 A 72 72 ASN CA C 72 53.882 51.935 1.947 1
1 691 . 18 1 1 A 72 72 ASN CB C 72 39.885 40.060 -0.175 1
1 692 . 18 1 1 A 72 72 ASN N N 72 118.314 116.211 2.103 1
1 694 . 18 1 1 A 73 73 GLY H H 73 8.469 8.663 -0.194 1
1 695 . 18 1 1 A 73 73 GLY HA2 H 73 3.968 3.828 0.140 1
1 696 . 18 1 1 A 73 73 GLY C C 73 174.791 174.443 0.348 1
1 697 . 18 1 1 A 73 73 GLY CA C 73 46.247 46.853 -0.606 1
1 698 . 18 1 1 A 73 73 GLY N N 73 109.019 107.532 1.487 1
1 699 . 18 1 1 A 74 74 GLY H H 74 7.946 7.466 0.480 1
1 700 . 18 1 1 A 74 74 GLY HA2 H 74 4.112 4.088 0.024 1
1 701 . 18 1 1 A 74 74 GLY HA3 H 74 4.177 4.096 0.081 1
1 702 . 18 1 1 A 74 74 GLY C C 74 175.399 174.263 1.136 1
1 703 . 18 1 1 A 74 74 GLY CA C 74 45.825 45.055 0.770 1
1 704 . 18 1 1 A 74 74 GLY N N 74 108.672 104.145 4.527 1
1 705 . 18 1 1 A 75 75 VAL H H 75 8.168 8.604 -0.436 1
1 706 . 18 1 1 A 75 75 VAL HA H 75 3.881 4.131 -0.250 1
1 714 . 18 1 1 A 75 75 VAL C C 75 176.466 175.527 0.939 1
1 715 . 18 1 1 A 75 75 VAL CA C 75 64.845 63.538 1.307 1
1 716 . 18 1 1 A 75 75 VAL CB C 75 32.811 32.896 -0.085 1
1 719 . 18 1 1 A 75 75 VAL N N 75 119.832 124.874 -5.042 1
1 720 . 18 1 1 A 76 76 PHE H H 76 8.138 7.820 0.318 1
1 721 . 18 1 1 A 76 76 PHE HA H 76 4.664 4.629 0.035 1
1 729 . 18 1 1 A 76 76 PHE C C 76 176.775 176.214 0.561 1
1 730 . 18 1 1 A 76 76 PHE CA C 76 58.810 57.036 1.774 1
1 731 . 18 1 1 A 76 76 PHE CB C 76 39.177 40.477 -1.300 1
1 732 . 18 1 1 A 76 76 PHE N N 76 118.007 120.389 -2.382 1
1 733 . 18 1 1 A 77 77 GLY H H 77 8.080 8.993 -0.913 1
1 734 . 18 1 1 A 77 77 GLY HA2 H 77 3.948 4.011 -0.063 1
1 735 . 18 1 1 A 77 77 GLY C C 77 175.581 174.373 1.208 1
1 736 . 18 1 1 A 77 77 GLY CA C 77 47.292 46.404 0.888 1
1 737 . 18 1 1 A 77 77 GLY N N 77 107.115 111.187 -4.072 1
1 738 . 18 1 1 A 78 78 GLY H H 78 8.136 8.037 0.099 1
1 739 . 18 1 1 A 78 78 GLY HA2 H 78 4.011 4.064 -0.053 1
1 740 . 18 1 1 A 78 78 GLY C C 78 175.337 175.126 0.211 1
1 741 . 18 1 1 A 78 78 GLY CA C 78 46.315 46.131 0.184 1
1 742 . 18 1 1 A 78 78 GLY N N 78 108.462 107.399 1.063 1
1 743 . 18 1 1 A 79 79 LEU H H 79 7.641 7.979 -0.338 1
1 744 . 18 1 1 A 79 79 LEU HA H 79 4.022 4.108 -0.086 1
1 753 . 18 1 1 A 79 79 LEU C C 79 177.256 178.712 -1.456 1
1 754 . 18 1 1 A 79 79 LEU CA C 79 57.813 57.093 0.720 1
1 755 . 18 1 1 A 79 79 LEU CB C 79 43.316 42.015 1.301 1
1 759 . 18 1 1 A 79 79 LEU N N 79 121.664 122.651 -0.987 1
1 760 . 18 1 1 A 80 80 PHE H H 80 7.944 8.196 -0.252 1
1 761 . 18 1 1 A 80 80 PHE HA H 80 4.633 4.076 0.557 1
1 768 . 18 1 1 A 80 80 PHE C C 80 175.433 175.963 -0.530 1
1 769 . 18 1 1 A 80 80 PHE CA C 80 58.208 60.890 -2.682 1
1 770 . 18 1 1 A 80 80 PHE CB C 80 39.615 38.243 1.372 1
1 771 . 18 1 1 A 80 80 PHE N N 80 114.796 117.068 -2.272 1
1 772 . 18 1 1 A 81 81 ALA H H 81 7.611 7.596 0.015 1
1 773 . 18 1 1 A 81 81 ALA HA H 81 4.364 4.325 0.039 1
1 777 . 18 1 1 A 81 81 ALA C C 81 177.568 177.935 -0.367 1
1 778 . 18 1 1 A 81 81 ALA CA C 81 52.989 51.553 1.436 1
1 779 . 18 1 1 A 81 81 ALA CB C 81 19.902 20.064 -0.162 1
1 780 . 18 1 1 A 81 81 ALA N N 81 122.618 121.381 1.237 1
1 781 . 18 1 1 A 82 82 LYS H H 82 8.155 8.812 -0.657 1
1 782 . 18 1 1 A 82 82 LYS HA H 82 4.313 3.940 0.373 1
1 784 . 18 1 1 A 82 82 LYS C C 82 176.941 175.569 1.372 1
1 785 . 18 1 1 A 82 82 LYS CA C 82 57.023 58.971 -1.948 1
1 786 . 18 1 1 A 82 82 LYS CB C 82 33.299 30.803 2.496 1
1 789 . 18 1 1 A 82 82 LYS N N 82 120.345 115.211 5.134 1
1 790 . 18 1 1 A 83 83 LYS H H 83 8.256 7.984 0.272 1
1 791 . 18 1 1 A 83 83 LYS HA H 83 4.378 4.666 -0.288 1
1 794 . 18 1 1 A 83 83 LYS CA C 83 56.618 54.347 2.271 1
1 795 . 18 1 1 A 83 83 LYS CB C 83 33.767 36.011 -2.244 1
1 799 . 18 1 1 A 83 83 LYS N N 83 122.901 117.344 5.557 1
1 6 . 19 1 1 A 2 2 ALA H H 2 8.448 8.706 -0.258 1
1 7 . 19 1 1 A 2 2 ALA HA H 2 4.314 4.694 -0.380 1
1 11 . 19 1 1 A 2 2 ALA C C 2 177.731 176.278 1.453 1
1 12 . 19 1 1 A 2 2 ALA CA C 2 53.711 51.191 2.520 1
1 13 . 19 1 1 A 2 2 ALA CB C 2 19.629 19.566 0.063 1
1 14 . 19 1 1 A 2 2 ALA N N 2 125.995 122.797 3.198 1
1 15 . 19 1 1 A 3 3 ALA H H 3 8.148 7.503 0.645 1
1 16 . 19 1 1 A 3 3 ALA HA H 3 4.292 4.624 -0.332 1
1 20 . 19 1 1 A 3 3 ALA C C 3 177.888 176.224 1.664 1
1 21 . 19 1 1 A 3 3 ALA CA C 3 53.439 51.545 1.894 1
1 22 . 19 1 1 A 3 3 ALA CB C 3 19.671 22.868 -3.197 1
1 23 . 19 1 1 A 3 3 ALA N N 3 121.767 118.284 3.483 1
1 24 . 19 1 1 A 4 4 LYS H H 4 8.047 8.486 -0.439 1
1 25 . 19 1 1 A 4 4 LYS HA H 4 4.314 4.564 -0.250 1
1 27 . 19 1 1 A 4 4 LYS C C 4 177.363 175.895 1.468 1
1 28 . 19 1 1 A 4 4 LYS CA C 4 57.279 55.155 2.124 1
1 29 . 19 1 1 A 4 4 LYS CB C 4 33.570 34.070 -0.500 1
1 33 . 19 1 1 A 4 4 LYS N N 4 119.233 119.821 -0.588 1
1 34 . 19 1 1 A 5 5 GLY H H 5 8.317 8.261 0.056 1
1 35 . 19 1 1 A 5 5 GLY HA2 H 5 4.039 3.974 0.065 1
1 36 . 19 1 1 A 5 5 GLY C C 5 174.706 174.299 0.407 1
1 37 . 19 1 1 A 5 5 GLY CA C 5 46.246 45.464 0.782 1
1 38 . 19 1 1 A 5 5 GLY N N 5 109.070 106.880 2.190 1
1 39 . 19 1 1 A 6 6 THR H H 6 8.002 7.789 0.213 1
1 40 . 19 1 1 A 6 6 THR HA H 6 4.357 4.498 -0.141 1
1 42 . 19 1 1 A 6 6 THR C C 6 174.839 174.754 0.085 1
1 43 . 19 1 1 A 6 6 THR CA C 6 62.444 60.691 1.753 1
1 44 . 19 1 1 A 6 6 THR CB C 6 70.490 70.033 0.457 1
1 46 . 19 1 1 A 6 6 THR N N 6 112.809 111.974 0.835 1
1 47 . 19 1 1 A 7 7 ALA H H 7 8.309 8.735 -0.426 1
1 48 . 19 1 1 A 7 7 ALA HA H 7 4.322 3.978 0.344 1
1 52 . 19 1 1 A 7 7 ALA C C 7 178.032 177.658 0.374 1
1 53 . 19 1 1 A 7 7 ALA CA C 7 53.792 55.399 -1.607 1
1 54 . 19 1 1 A 7 7 ALA CB C 7 19.733 18.583 1.150 1
1 55 . 19 1 1 A 7 7 ALA N N 7 125.292 128.516 -3.224 1
1 56 . 19 1 1 A 8 8 GLU H H 8 8.358 8.128 0.230 1
1 57 . 19 1 1 A 8 8 GLU HA H 8 4.297 3.987 0.310 1
1 59 . 19 1 1 A 8 8 GLU C C 8 176.936 176.617 0.319 1
1 60 . 19 1 1 A 8 8 GLU CA C 8 57.618 57.220 0.398 1
1 61 . 19 1 1 A 8 8 GLU CB C 8 30.792 28.156 2.636 1
1 63 . 19 1 1 A 8 8 GLU N N 8 118.943 117.253 1.690 1
1 64 . 19 1 1 A 9 9 THR H H 9 7.974 7.836 0.138 1
1 65 . 19 1 1 A 9 9 THR HA H 9 4.365 4.568 -0.203 1
1 67 . 19 1 1 A 9 9 THR C C 9 174.629 174.230 0.399 1
1 68 . 19 1 1 A 9 9 THR CA C 9 62.617 60.520 2.097 1
1 69 . 19 1 1 A 9 9 THR CB C 9 70.422 68.343 2.079 1
1 71 . 19 1 1 A 9 9 THR N N 9 113.540 114.408 -0.868 1
1 72 . 19 1 1 A 10 10 LYS H H 10 8.242 8.400 -0.158 1
1 73 . 19 1 1 A 10 10 LYS HA H 10 4.314 4.542 -0.228 1
1 75 . 19 1 1 A 10 10 LYS C C 10 176.513 175.148 1.365 1
1 76 . 19 1 1 A 10 10 LYS CA C 10 57.173 55.388 1.785 1
1 77 . 19 1 1 A 10 10 LYS CB C 10 33.511 32.697 0.814 1
1 81 . 19 1 1 A 10 10 LYS N N 10 123.339 127.812 -4.473 1
1 82 . 19 1 1 A 11 11 GLN H H 11 8.381 7.688 0.693 1
1 83 . 19 1 1 A 11 11 GLN HA H 11 4.322 4.850 -0.528 1
1 89 . 19 1 1 A 11 11 GLN C C 11 176.073 173.918 2.155 1
1 90 . 19 1 1 A 11 11 GLN CA C 11 56.689 53.908 2.781 1
1 91 . 19 1 1 A 11 11 GLN CB C 11 29.940 32.684 -2.744 1
1 93 . 19 1 1 A 11 11 GLN N N 11 120.885 116.482 4.403 1
1 95 . 19 1 1 A 12 12 GLU H H 12 8.407 8.691 -0.284 1
1 96 . 19 1 1 A 12 12 GLU HA H 12 4.304 5.111 -0.807 1
1 98 . 19 1 1 A 12 12 GLU C C 12 176.253 174.941 1.312 1
1 99 . 19 1 1 A 12 12 GLU CA C 12 57.536 55.013 2.523 1
1 100 . 19 1 1 A 12 12 GLU CB C 12 30.799 31.476 -0.677 1
1 102 . 19 1 1 A 12 12 GLU N N 12 121.152 118.894 2.258 1
1 103 . 19 1 1 A 13 13 LYS H H 13 8.220 8.558 -0.338 1
1 104 . 19 1 1 A 13 13 LYS HA H 13 4.542 4.490 0.052 1
1 108 . 19 1 1 A 13 13 LYS C C 13 175.856 175.910 -0.054 1
1 109 . 19 1 1 A 13 13 LYS CA C 13 56.335 57.261 -0.926 1
1 110 . 19 1 1 A 13 13 LYS CB C 13 33.863 35.636 -1.773 1
1 114 . 19 1 1 A 13 13 LYS N N 13 121.312 125.007 -3.695 1
1 115 . 19 1 1 A 14 14 SER H H 14 8.447 7.841 0.606 1
1 116 . 19 1 1 A 14 14 SER HA H 14 4.639 4.484 0.155 1
1 119 . 19 1 1 A 14 14 SER C C 14 175.529 175.897 -0.368 1
1 120 . 19 1 1 A 14 14 SER CA C 14 58.802 58.554 0.248 1
1 121 . 19 1 1 A 14 14 SER CB C 14 64.803 64.501 0.302 1
1 122 . 19 1 1 A 14 14 SER N N 14 116.487 115.203 1.284 1
1 123 . 19 1 1 A 15 15 PHE H H 15 8.802 9.349 -0.547 1
1 124 . 19 1 1 A 15 15 PHE HA H 15 4.448 4.271 0.177 1
1 129 . 19 1 1 A 15 15 PHE C C 15 176.935 177.592 -0.657 1
1 130 . 19 1 1 A 15 15 PHE CA C 15 62.188 60.868 1.320 1
1 131 . 19 1 1 A 15 15 PHE CB C 15 39.721 38.134 1.587 1
1 132 . 19 1 1 A 15 15 PHE N N 15 124.339 122.811 1.528 1
1 133 . 19 1 1 A 16 16 VAL H H 16 8.025 7.391 0.634 1
1 134 . 19 1 1 A 16 16 VAL HA H 16 3.490 3.472 0.018 1
1 142 . 19 1 1 A 16 16 VAL C C 16 177.123 177.200 -0.077 1
1 143 . 19 1 1 A 16 16 VAL CA C 16 67.959 64.623 3.336 1
1 144 . 19 1 1 A 16 16 VAL CB C 16 32.250 30.639 1.611 1
1 147 . 19 1 1 A 16 16 VAL N N 16 118.329 120.902 -2.573 1
1 148 . 19 1 1 A 17 17 ASP H H 17 7.926 8.182 -0.256 1
1 149 . 19 1 1 A 17 17 ASP HA H 17 4.354 4.307 0.047 1
1 152 . 19 1 1 A 17 17 ASP C C 17 179.625 178.228 1.397 1
1 153 . 19 1 1 A 17 17 ASP CA C 17 58.204 57.236 0.968 1
1 154 . 19 1 1 A 17 17 ASP CB C 17 41.324 41.283 0.041 1
1 155 . 19 1 1 A 17 17 ASP N N 17 118.753 120.917 -2.164 1
1 156 . 19 1 1 A 18 18 TRP H H 18 8.174 7.810 0.364 1
1 157 . 19 1 1 A 18 18 TRP HA H 18 4.111 4.334 -0.223 1
1 163 . 19 1 1 A 18 18 TRP CA C 18 62.194 60.713 1.481 1
1 164 . 19 1 1 A 18 18 TRP CB C 18 29.150 29.592 -0.442 1
1 165 . 19 1 1 A 18 18 TRP N N 18 122.311 121.547 0.764 1
1 167 . 19 1 1 A 19 19 LEU H H 19 8.517 8.876 -0.359 1
1 168 . 19 1 1 A 19 19 LEU HA H 19 3.447 3.782 -0.335 1
1 178 . 19 1 1 A 19 19 LEU C C 19 179.115 179.071 0.044 1
1 179 . 19 1 1 A 19 19 LEU CA C 19 58.630 58.337 0.293 1
1 180 . 19 1 1 A 19 19 LEU CB C 19 42.676 42.101 0.575 1
1 184 . 19 1 1 A 19 19 LEU N N 19 120.943 121.143 -0.200 1
1 185 . 19 1 1 A 20 20 LEU H H 20 8.713 8.657 0.056 1
1 186 . 19 1 1 A 20 20 LEU HA H 20 3.972 3.996 -0.024 1
1 196 . 19 1 1 A 20 20 LEU C C 20 180.266 178.830 1.436 1
1 197 . 19 1 1 A 20 20 LEU CA C 20 58.318 57.668 0.650 1
1 198 . 19 1 1 A 20 20 LEU CB C 20 41.655 41.705 -0.050 1
1 202 . 19 1 1 A 20 20 LEU N N 20 117.598 119.140 -1.542 1
1 203 . 19 1 1 A 21 21 GLY H H 21 7.783 8.337 -0.554 1
1 204 . 19 1 1 A 21 21 GLY HA2 H 21 3.829 3.795 0.034 1
1 205 . 19 1 1 A 21 21 GLY C C 21 175.390 175.361 0.029 1
1 206 . 19 1 1 A 21 21 GLY CA C 21 46.978 46.651 0.327 1
1 207 . 19 1 1 A 21 21 GLY N N 21 106.102 107.115 -1.013 1
1 208 . 19 1 1 A 22 22 LYS H H 22 7.443 7.905 -0.462 1
1 209 . 19 1 1 A 22 22 LYS HA H 22 4.090 4.110 -0.020 1
1 217 . 19 1 1 A 22 22 LYS C C 22 177.806 178.211 -0.405 1
1 218 . 19 1 1 A 22 22 LYS CA C 22 56.974 59.079 -2.105 1
1 219 . 19 1 1 A 22 22 LYS CB C 22 32.718 32.207 0.511 1
1 223 . 19 1 1 A 22 22 LYS N N 22 118.883 120.895 -2.012 1
1 224 . 19 1 1 A 23 23 ILE H H 23 7.550 7.616 -0.066 1
1 225 . 19 1 1 A 23 23 ILE HA H 23 4.165 4.014 0.151 1
1 235 . 19 1 1 A 23 23 ILE C C 23 175.996 177.247 -1.251 1
1 236 . 19 1 1 A 23 23 ILE CA C 23 62.916 62.867 0.049 1
1 237 . 19 1 1 A 23 23 ILE CB C 23 39.444 38.727 0.717 1
1 241 . 19 1 1 A 23 23 ILE N N 23 114.457 117.959 -3.502 1
1 242 . 19 1 1 A 24 24 THR H H 24 7.778 7.293 0.485 1
1 243 . 19 1 1 A 24 24 THR HA H 24 4.379 4.592 -0.213 1
1 248 . 19 1 1 A 24 24 THR C C 24 174.616 174.494 0.122 1
1 249 . 19 1 1 A 24 24 THR CA C 24 62.699 61.128 1.571 1
1 250 . 19 1 1 A 24 24 THR CB C 24 70.567 68.929 1.638 1
1 252 . 19 1 1 A 24 24 THR N N 24 113.224 107.633 5.591 1
1 253 . 19 1 1 A 25 25 LYS H H 25 7.956 7.432 0.524 1
1 259 . 19 1 1 A 25 25 LYS CA C 25 56.696 56.711 -0.015 1
1 260 . 19 1 1 A 25 25 LYS CB C 25 33.428 32.839 0.589 1
1 262 . 19 1 1 A 25 25 LYS N N 25 122.468 120.142 2.326 1
1 263 . 19 1 1 A 26 26 GLU H H 26 8.392 8.844 -0.452 1
1 264 . 19 1 1 A 26 26 GLU HA H 26 4.230 4.446 -0.216 1
1 268 . 19 1 1 A 26 26 GLU C C 26 176.320 175.933 0.387 1
1 269 . 19 1 1 A 26 26 GLU CA C 26 57.616 57.689 -0.073 1
1 270 . 19 1 1 A 26 26 GLU CB C 26 30.854 31.320 -0.466 1
1 272 . 19 1 1 A 26 26 GLU N N 26 121.068 122.201 -1.133 1
1 273 . 19 1 1 A 27 27 ASP H H 27 8.299 7.786 0.513 1
1 274 . 19 1 1 A 27 27 ASP HA H 27 4.496 4.903 -0.407 1
1 276 . 19 1 1 A 27 27 ASP C C 27 175.931 174.698 1.233 1
1 277 . 19 1 1 A 27 27 ASP CA C 27 55.161 53.037 2.124 1
1 278 . 19 1 1 A 27 27 ASP CB C 27 41.532 44.395 -2.863 1
1 279 . 19 1 1 A 27 27 ASP N N 27 119.412 116.973 2.439 1
1 280 . 19 1 1 A 28 28 GLN H H 28 8.108 8.291 -0.183 1
1 281 . 19 1 1 A 28 28 GLN HA H 28 4.215 4.652 -0.437 1
1 286 . 19 1 1 A 28 28 GLN C C 28 175.845 175.859 -0.014 1
1 287 . 19 1 1 A 28 28 GLN CA C 28 56.559 55.063 1.496 1
1 288 . 19 1 1 A 28 28 GLN CB C 28 30.105 30.477 -0.372 1
1 290 . 19 1 1 A 28 28 GLN N N 28 119.037 119.487 -0.450 1
1 292 . 19 1 1 A 29 29 PHE H H 29 8.235 8.567 -0.332 1
1 293 . 19 1 1 A 29 29 PHE HA H 29 4.514 4.629 -0.115 1
1 299 . 19 1 1 A 29 29 PHE C C 29 175.361 174.283 1.078 1
1 300 . 19 1 1 A 29 29 PHE CA C 29 58.810 59.171 -0.361 1
1 301 . 19 1 1 A 29 29 PHE CB C 29 40.000 41.782 -1.782 1
1 302 . 19 1 1 A 29 29 PHE N N 29 120.622 121.866 -1.244 1
1 303 . 19 1 1 A 30 30 TYR H H 30 7.715 7.891 -0.176 1
1 304 . 19 1 1 A 30 30 TYR HA H 30 4.508 4.335 0.173 1
1 310 . 19 1 1 A 30 30 TYR C C 30 175.416 175.886 -0.470 1
1 311 . 19 1 1 A 30 30 TYR CA C 30 58.544 57.973 0.571 1
1 312 . 19 1 1 A 30 30 TYR CB C 30 39.613 39.570 0.043 1
1 313 . 19 1 1 A 30 30 TYR N N 30 119.864 117.289 2.575 1
1 314 . 19 1 1 A 31 31 GLU H H 31 8.187 8.606 -0.419 1
1 315 . 19 1 1 A 31 31 GLU HA H 31 4.293 4.640 -0.347 1
1 319 . 19 1 1 A 31 31 GLU C C 31 176.148 176.053 0.095 1
1 320 . 19 1 1 A 31 31 GLU CA C 31 57.172 55.001 2.171 1
1 321 . 19 1 1 A 31 31 GLU CB C 31 30.845 29.494 1.351 1
1 323 . 19 1 1 A 31 31 GLU N N 31 121.546 117.570 3.976 1
1 324 . 19 1 1 A 32 32 THR H H 32 7.864 8.377 -0.513 1
1 325 . 19 1 1 A 32 32 THR HA H 32 4.359 3.984 0.375 1
1 330 . 19 1 1 A 32 32 THR C C 32 173.970 173.576 0.394 1
1 331 . 19 1 1 A 32 32 THR CA C 32 62.043 62.843 -0.800 1
1 332 . 19 1 1 A 32 32 THR CB C 32 70.721 66.426 4.295 1
1 334 . 19 1 1 A 32 32 THR N N 32 113.695 110.679 3.016 1
1 335 . 19 1 1 A 33 33 ASP H H 33 8.317 7.945 0.372 1
1 336 . 19 1 1 A 33 33 ASP HA H 33 4.880 5.133 -0.253 1
1 339 . 19 1 1 A 33 33 ASP CA C 33 53.661 51.635 2.026 1
1 340 . 19 1 1 A 33 33 ASP CB C 33 41.474 41.887 -0.413 1
1 341 . 19 1 1 A 33 33 ASP N N 33 123.601 120.245 3.356 1
1 342 . 19 1 1 A 34 34 PRO HA H 34 4.408 4.698 -0.290 1
1 348 . 19 1 1 A 34 34 PRO C C 34 174.420 176.484 -2.064 1
1 349 . 19 1 1 A 34 34 PRO CA C 34 64.164 62.694 1.470 1
1 350 . 19 1 1 A 34 34 PRO CB C 34 32.774 31.849 0.925 1
1 353 . 19 1 1 A 35 35 ILE H H 35 8.143 8.232 -0.089 1
1 354 . 19 1 1 A 35 35 ILE HA H 35 4.046 4.944 -0.898 1
1 364 . 19 1 1 A 35 35 ILE C C 35 176.474 176.312 0.162 1
1 365 . 19 1 1 A 35 35 ILE CA C 35 62.937 58.842 4.095 1
1 366 . 19 1 1 A 35 35 ILE CB C 35 39.275 41.486 -2.211 1
1 370 . 19 1 1 A 35 35 ILE N N 35 120.322 117.159 3.163 1
1 371 . 19 1 1 A 36 36 LEU H H 36 7.975 8.582 -0.607 1
1 372 . 19 1 1 A 36 36 LEU HA H 36 4.398 4.277 0.121 1
1 381 . 19 1 1 A 36 36 LEU C C 36 177.299 178.415 -1.116 1
1 382 . 19 1 1 A 36 36 LEU CA C 36 56.022 56.932 -0.910 1
1 383 . 19 1 1 A 36 36 LEU CB C 36 42.837 42.102 0.735 1
1 387 . 19 1 1 A 36 36 LEU N N 36 121.023 122.442 -1.419 1
1 388 . 19 1 1 A 37 37 ARG H H 37 7.932 7.955 -0.023 1
1 389 . 19 1 1 A 37 37 ARG HA H 37 4.345 4.520 -0.175 1
1 395 . 19 1 1 A 37 37 ARG C C 37 176.869 176.609 0.260 1
1 396 . 19 1 1 A 37 37 ARG CA C 37 56.912 55.808 1.104 1
1 397 . 19 1 1 A 37 37 ARG CB C 37 31.127 32.599 -1.472 1
1 400 . 19 1 1 A 37 37 ARG N N 37 118.673 114.811 3.862 1
1 402 . 19 1 1 A 38 38 GLY H H 38 8.271 7.619 0.652 1
1 403 . 19 1 1 A 38 38 GLY HA2 H 38 3.986 4.039 -0.053 1
1 404 . 19 1 1 A 38 38 GLY C C 38 174.864 174.373 0.491 1
1 405 . 19 1 1 A 38 38 GLY CA C 38 46.258 45.371 0.887 1
1 406 . 19 1 1 A 38 38 GLY N N 38 108.377 108.483 -0.106 1
1 407 . 19 1 1 A 39 39 GLY H H 39 8.218 8.061 0.157 1
1 408 . 19 1 1 A 39 39 GLY HA2 H 39 3.998 4.096 -0.098 1
1 409 . 19 1 1 A 39 39 GLY C C 39 174.158 173.577 0.581 1
1 410 . 19 1 1 A 39 39 GLY CA C 39 46.187 44.236 1.951 1
1 411 . 19 1 1 A 39 39 GLY N N 39 108.485 107.707 0.778 1
1 412 . 19 1 1 A 40 40 ASP H H 40 8.274 8.945 -0.671 1
1 413 . 19 1 1 A 40 40 ASP HA H 40 4.699 4.252 0.447 1
1 415 . 19 1 1 A 40 40 ASP C C 40 176.791 176.136 0.655 1
1 416 . 19 1 1 A 40 40 ASP CA C 40 55.105 54.797 0.308 1
1 417 . 19 1 1 A 40 40 ASP CB C 40 41.715 39.280 2.435 1
1 418 . 19 1 1 A 40 40 ASP N N 40 120.261 121.001 -0.740 1
1 419 . 19 1 1 A 41 41 VAL H H 41 8.071 7.887 0.184 1
1 420 . 19 1 1 A 41 41 VAL HA H 41 3.993 3.898 0.095 1
1 425 . 19 1 1 A 41 41 VAL C C 41 176.869 175.925 0.944 1
1 426 . 19 1 1 A 41 41 VAL CA C 41 64.502 64.693 -0.191 1
1 427 . 19 1 1 A 41 41 VAL CB C 41 32.773 32.288 0.485 1
1 429 . 19 1 1 A 41 41 VAL N N 41 120.111 120.527 -0.416 1
1 430 . 19 1 1 A 42 42 LYS H H 42 8.213 7.991 0.222 1
1 431 . 19 1 1 A 42 42 LYS HA H 42 4.299 3.996 0.303 1
1 434 . 19 1 1 A 42 42 LYS C C 42 177.041 176.371 0.670 1
1 435 . 19 1 1 A 42 42 LYS CA C 42 57.639 57.066 0.573 1
1 436 . 19 1 1 A 42 42 LYS CB C 42 33.227 30.076 3.151 1
1 440 . 19 1 1 A 42 42 LYS N N 42 121.557 121.863 -0.306 1
1 441 . 19 1 1 A 43 43 SER H H 43 8.126 7.817 0.309 1
1 442 . 19 1 1 A 43 43 SER HA H 43 4.452 4.434 0.018 1
1 444 . 19 1 1 A 43 43 SER C C 43 175.085 174.258 0.827 1
1 445 . 19 1 1 A 43 43 SER CA C 43 59.403 59.068 0.335 1
1 446 . 19 1 1 A 43 43 SER CB C 43 64.208 63.582 0.626 1
1 447 . 19 1 1 A 43 43 SER N N 43 115.295 116.308 -1.013 1
1 448 . 19 1 1 A 44 44 SER H H 44 8.251 8.702 -0.451 1
1 449 . 19 1 1 A 44 44 SER HA H 44 4.479 5.086 -0.607 1
1 451 . 19 1 1 A 44 44 SER C C 44 175.331 172.824 2.507 1
1 452 . 19 1 1 A 44 44 SER CA C 44 59.701 57.528 2.173 1
1 453 . 19 1 1 A 44 44 SER CB C 44 64.453 65.865 -1.412 1
1 454 . 19 1 1 A 44 44 SER N N 44 117.357 117.526 -0.169 1
1 455 . 19 1 1 A 45 45 GLY H H 45 8.401 8.346 0.055 1
1 456 . 19 1 1 A 45 45 GLY HA2 H 45 4.030 4.216 -0.186 1
1 457 . 19 1 1 A 45 45 GLY C C 45 174.472 172.441 2.031 1
1 458 . 19 1 1 A 45 45 GLY CA C 45 46.258 45.740 0.518 1
1 459 . 19 1 1 A 45 45 GLY N N 45 110.523 108.135 2.388 1
1 460 . 19 1 1 A 46 46 SER H H 46 8.177 8.399 -0.222 1
1 461 . 19 1 1 A 46 46 SER HA H 46 4.536 4.760 -0.224 1
1 463 . 19 1 1 A 46 46 SER C C 46 175.206 174.262 0.944 1
1 464 . 19 1 1 A 46 46 SER CA C 46 59.244 58.144 1.100 1
1 465 . 19 1 1 A 46 46 SER CB C 46 64.484 63.948 0.536 1
1 466 . 19 1 1 A 46 46 SER N N 46 115.297 114.494 0.803 1
1 467 . 19 1 1 A 47 47 THR H H 47 8.198 9.014 -0.816 1
1 468 . 19 1 1 A 47 47 THR HA H 47 4.432 4.336 0.096 1
1 470 . 19 1 1 A 47 47 THR C C 47 174.939 174.448 0.491 1
1 471 . 19 1 1 A 47 47 THR CA C 47 62.746 63.499 -0.753 1
1 472 . 19 1 1 A 47 47 THR CB C 47 70.246 69.287 0.959 1
1 474 . 19 1 1 A 47 47 THR N N 47 114.635 119.091 -4.456 1
1 475 . 19 1 1 A 48 48 SER H H 48 8.228 7.639 0.589 1
1 476 . 19 1 1 A 48 48 SER HA H 48 4.473 4.731 -0.258 1
1 478 . 19 1 1 A 48 48 SER C C 48 175.241 172.930 2.311 1
1 479 . 19 1 1 A 48 48 SER CA C 48 59.480 56.966 2.514 1
1 480 . 19 1 1 A 48 48 SER CB C 48 64.429 65.730 -1.301 1
1 481 . 19 1 1 A 48 48 SER N N 48 117.146 111.474 5.672 1
1 482 . 19 1 1 A 49 49 GLY H H 49 8.342 8.676 -0.334 1
1 483 . 19 1 1 A 49 49 GLY HA2 H 49 4.048 4.205 -0.157 1
1 484 . 19 1 1 A 49 49 GLY C C 49 174.776 175.380 -0.604 1
1 485 . 19 1 1 A 49 49 GLY CA C 49 46.233 45.582 0.651 1
1 486 . 19 1 1 A 49 49 GLY N N 49 110.627 109.954 0.673 1
1 487 . 19 1 1 A 50 50 LYS H H 50 8.124 8.210 -0.086 1
1 488 . 19 1 1 A 50 50 LYS HA H 50 4.302 4.274 0.028 1
1 490 . 19 1 1 A 50 50 LYS C C 50 176.932 176.433 0.499 1
1 491 . 19 1 1 A 50 50 LYS CA C 50 57.333 58.267 -0.934 1
1 492 . 19 1 1 A 50 50 LYS CB C 50 33.497 32.872 0.625 1
1 496 . 19 1 1 A 50 50 LYS N N 50 120.037 117.646 2.391 1
1 497 . 19 1 1 A 51 51 LYS H H 51 8.089 7.555 0.534 1
1 498 . 19 1 1 A 51 51 LYS HA H 51 4.325 4.688 -0.363 1
1 500 . 19 1 1 A 51 51 LYS C C 51 177.169 176.665 0.504 1
1 501 . 19 1 1 A 51 51 LYS CA C 51 57.251 55.327 1.924 1
1 502 . 19 1 1 A 51 51 LYS CB C 51 33.293 36.579 -3.286 1
1 506 . 19 1 1 A 51 51 LYS N N 51 120.805 116.900 3.905 1
1 507 . 19 1 1 A 52 52 GLY H H 52 8.304 8.895 -0.591 1
1 508 . 19 1 1 A 52 52 GLY HA2 H 52 4.005 3.793 0.212 1
1 509 . 19 1 1 A 52 52 GLY C C 52 174.545 174.992 -0.447 1
1 510 . 19 1 1 A 52 52 GLY CA C 52 46.250 46.826 -0.576 1
1 511 . 19 1 1 A 52 52 GLY N N 52 109.109 110.859 -1.750 1
1 512 . 19 1 1 A 53 53 GLY H H 53 8.201 8.111 0.090 1
1 513 . 19 1 1 A 53 53 GLY HA2 H 53 4.051 3.953 0.098 1
1 514 . 19 1 1 A 53 53 GLY C C 53 174.771 173.335 1.436 1
1 515 . 19 1 1 A 53 53 GLY CA C 53 46.204 45.270 0.934 1
1 516 . 19 1 1 A 53 53 GLY N N 53 108.474 105.886 2.588 1
1 517 . 19 1 1 A 54 54 THR H H 54 8.115 8.151 -0.036 1
1 518 . 19 1 1 A 54 54 THR HA H 54 4.442 5.061 -0.619 1
1 522 . 19 1 1 A 54 54 THR C C 54 175.190 172.786 2.404 1
1 523 . 19 1 1 A 54 54 THR CA C 54 62.904 60.771 2.133 1
1 524 . 19 1 1 A 54 54 THR CB C 54 70.261 71.411 -1.150 1
1 525 . 19 1 1 A 54 54 THR N N 54 113.386 112.633 0.753 1
1 526 . 19 1 1 A 55 55 THR H H 55 8.158 8.738 -0.580 1
1 527 . 19 1 1 A 55 55 THR HA H 55 4.452 4.510 -0.058 1
1 531 . 19 1 1 A 55 55 THR C C 55 175.050 172.967 2.083 1
1 532 . 19 1 1 A 55 55 THR CA C 55 62.740 62.869 -0.129 1
1 533 . 19 1 1 A 55 55 THR CB C 55 70.171 71.864 -1.693 1
1 535 . 19 1 1 A 55 55 THR N N 55 114.825 117.303 -2.478 1
1 536 . 19 1 1 A 56 56 SER H H 56 8.233 7.678 0.555 1
1 537 . 19 1 1 A 56 56 SER HA H 56 4.484 4.757 -0.273 1
1 539 . 19 1 1 A 56 56 SER C C 56 175.314 174.632 0.682 1
1 540 . 19 1 1 A 56 56 SER CA C 56 59.419 57.528 1.891 1
1 541 . 19 1 1 A 56 56 SER CB C 56 64.576 64.125 0.451 1
1 542 . 19 1 1 A 56 56 SER N N 56 117.144 115.065 2.079 1
1 543 . 19 1 1 A 57 57 GLY H H 57 8.340 8.737 -0.397 1
1 544 . 19 1 1 A 57 57 GLY HA2 H 57 4.043 3.902 0.141 1
1 545 . 19 1 1 A 57 57 GLY C C 57 176.801 175.107 1.694 1
1 546 . 19 1 1 A 57 57 GLY CA C 57 45.927 46.048 -0.121 1
1 547 . 19 1 1 A 57 57 GLY N N 57 110.613 113.909 -3.296 1
1 548 . 19 1 1 A 58 58 LYS H H 58 8.125 7.721 0.404 1
1 549 . 19 1 1 A 58 58 LYS HA H 58 4.313 4.391 -0.078 1
1 554 . 19 1 1 A 58 58 LYS C C 58 176.220 177.036 -0.816 1
1 555 . 19 1 1 A 58 58 LYS CA C 58 57.524 57.397 0.127 1
1 556 . 19 1 1 A 58 58 LYS CB C 58 33.485 34.431 -0.946 1
1 560 . 19 1 1 A 58 58 LYS N N 58 120.526 122.255 -1.729 1
1 561 . 19 1 1 A 59 59 LYS H H 59 8.227 8.033 0.194 1
1 562 . 19 1 1 A 59 59 LYS HA H 59 4.202 3.981 0.221 1
1 567 . 19 1 1 A 59 59 LYS C C 59 177.075 177.394 -0.319 1
1 568 . 19 1 1 A 59 59 LYS CA C 59 58.240 57.091 1.149 1
1 569 . 19 1 1 A 59 59 LYS CB C 59 33.354 30.192 3.162 1
1 573 . 19 1 1 A 59 59 LYS N N 59 121.098 120.070 1.028 1
1 574 . 19 1 1 A 60 60 GLY H H 60 8.337 8.042 0.295 1
1 575 . 19 1 1 A 60 60 GLY HA2 H 60 4.047 3.926 0.121 1
1 576 . 19 1 1 A 60 60 GLY C C 60 174.631 174.645 -0.014 1
1 577 . 19 1 1 A 60 60 GLY CA C 60 46.282 45.654 0.628 1
1 578 . 19 1 1 A 60 60 GLY N N 60 109.436 109.319 0.117 1
1 579 . 19 1 1 A 61 61 THR H H 61 7.947 8.143 -0.196 1
1 580 . 19 1 1 A 61 61 THR HA H 61 4.396 4.666 -0.270 1
1 585 . 19 1 1 A 61 61 THR C C 61 174.470 176.206 -1.736 1
1 586 . 19 1 1 A 61 61 THR CA C 61 62.795 63.538 -0.743 1
1 587 . 19 1 1 A 61 61 THR CB C 61 70.637 71.428 -0.791 1
1 589 . 19 1 1 A 61 61 THR N N 61 112.095 114.592 -2.497 1
1 590 . 19 1 1 A 62 62 VAL H H 62 7.788 7.956 -0.168 1
1 591 . 19 1 1 A 62 62 VAL HA H 62 4.243 4.267 -0.024 1
1 596 . 19 1 1 A 62 62 VAL CA C 62 62.733 61.520 1.213 1
1 597 . 19 1 1 A 62 62 VAL CB C 62 33.693 32.054 1.639 1
1 599 . 19 1 1 A 62 62 VAL N N 62 120.973 119.980 0.993 1
1 600 . 19 1 1 A 63 63 SER H H 63 8.052 8.005 0.047 1
1 601 . 19 1 1 A 63 63 SER HA H 63 4.665 4.611 0.054 1
1 604 . 19 1 1 A 63 63 SER CA C 63 57.747 59.308 -1.561 1
1 605 . 19 1 1 A 63 63 SER CB C 63 64.991 64.598 0.393 1
1 606 . 19 1 1 A 63 63 SER N N 63 119.427 117.405 2.022 1
1 607 . 19 1 1 A 64 64 ILE H H 64 8.191 7.367 0.824 1
1 608 . 19 1 1 A 64 64 ILE HA H 64 4.313 4.713 -0.400 1
1 617 . 19 1 1 A 64 64 ILE CA C 64 59.873 57.147 2.726 1
1 618 . 19 1 1 A 64 64 ILE CB C 64 38.818 39.247 -0.429 1
1 621 . 19 1 1 A 64 64 ILE N N 64 122.947 116.647 6.300 1
1 622 . 19 1 1 A 65 65 PRO HA H 65 4.466 4.300 0.166 1
1 628 . 19 1 1 A 65 65 PRO CA C 65 64.303 64.490 -0.187 1
1 629 . 19 1 1 A 65 65 PRO CB C 65 32.672 31.864 0.808 1
1 632 . 19 1 1 A 66 66 SER H H 66 8.002 7.961 0.041 1
1 633 . 19 1 1 A 66 66 SER HA H 66 4.498 4.232 0.266 1
1 635 . 19 1 1 A 66 66 SER CA C 66 58.702 60.552 -1.850 1
1 636 . 19 1 1 A 66 66 SER CB C 66 64.819 62.099 2.720 1
1 637 . 19 1 1 A 66 66 SER N N 66 112.889 112.071 0.818 1
1 638 . 19 1 1 A 67 67 LYS H H 67 8.137 8.459 -0.322 1
1 639 . 19 1 1 A 67 67 LYS HA H 67 4.347 4.524 -0.177 1
1 641 . 19 1 1 A 67 67 LYS C C 67 176.555 176.140 0.415 1
1 642 . 19 1 1 A 67 67 LYS CA C 67 57.061 55.378 1.683 1
1 643 . 19 1 1 A 67 67 LYS CB C 67 33.669 32.451 1.218 1
1 647 . 19 1 1 A 67 67 LYS N N 67 122.114 117.737 4.377 1
1 648 . 19 1 1 A 68 68 LYS H H 68 8.118 7.511 0.607 1
1 649 . 19 1 1 A 68 68 LYS HA H 68 4.322 4.701 -0.379 1
1 651 . 19 1 1 A 68 68 LYS C C 68 176.446 175.609 0.837 1
1 652 . 19 1 1 A 68 68 LYS CA C 68 57.043 54.248 2.795 1
1 653 . 19 1 1 A 68 68 LYS CB C 68 33.531 35.664 -2.133 1
1 657 . 19 1 1 A 68 68 LYS N N 68 121.435 121.196 0.239 1
1 658 . 19 1 1 A 69 69 LYS H H 69 8.394 8.347 0.047 1
1 659 . 19 1 1 A 69 69 LYS HA H 69 4.351 4.300 0.051 1
1 663 . 19 1 1 A 69 69 LYS C C 69 175.623 176.763 -1.140 1
1 664 . 19 1 1 A 69 69 LYS CA C 69 56.762 55.522 1.240 1
1 665 . 19 1 1 A 69 69 LYS CB C 69 33.782 31.194 2.588 1
1 669 . 19 1 1 A 69 69 LYS N N 69 121.052 122.030 -0.978 1
1 670 . 19 1 1 A 70 70 ASN H H 70 8.014 8.994 -0.980 1
1 671 . 19 1 1 A 70 70 ASN HA H 70 4.515 4.460 0.055 1
1 675 . 19 1 1 A 70 70 ASN CA C 70 55.331 54.109 1.222 1
1 676 . 19 1 1 A 70 70 ASN CB C 70 41.478 39.006 2.472 1
1 677 . 19 1 1 A 70 70 ASN N N 70 125.005 124.601 0.404 1
1 679 . 19 1 1 A 71 71 GLY H H 71 8.255 8.051 0.204 1
1 680 . 19 1 1 A 71 71 GLY HA2 H 71 3.986 3.985 0.001 1
1 681 . 19 1 1 A 71 71 GLY C C 71 174.458 174.064 0.394 1
1 682 . 19 1 1 A 71 71 GLY CA C 71 46.110 46.438 -0.328 1
1 683 . 19 1 1 A 71 71 GLY N N 71 114.247 106.099 8.148 1
1 684 . 19 1 1 A 72 72 ASN H H 72 8.462 7.754 0.708 1
1 685 . 19 1 1 A 72 72 ASN HA H 72 4.796 5.369 -0.573 1
1 689 . 19 1 1 A 72 72 ASN C C 72 175.757 174.957 0.800 1
1 690 . 19 1 1 A 72 72 ASN CA C 72 53.882 51.585 2.297 1
1 691 . 19 1 1 A 72 72 ASN CB C 72 39.885 41.934 -2.049 1
1 692 . 19 1 1 A 72 72 ASN N N 72 118.314 117.670 0.644 1
1 694 . 19 1 1 A 73 73 GLY H H 73 8.469 8.381 0.088 1
1 695 . 19 1 1 A 73 73 GLY HA2 H 73 3.968 4.323 -0.355 1
1 696 . 19 1 1 A 73 73 GLY C C 73 174.791 171.672 3.119 1
1 697 . 19 1 1 A 73 73 GLY CA C 73 46.247 45.672 0.575 1
1 698 . 19 1 1 A 73 73 GLY N N 73 109.019 107.484 1.535 1
1 699 . 19 1 1 A 74 74 GLY H H 74 7.946 8.902 -0.956 1
1 700 . 19 1 1 A 74 74 GLY HA2 H 74 4.112 4.033 0.079 1
1 701 . 19 1 1 A 74 74 GLY HA3 H 74 4.177 4.095 0.082 1
1 702 . 19 1 1 A 74 74 GLY C C 74 175.399 174.318 1.081 1
1 703 . 19 1 1 A 74 74 GLY CA C 74 45.825 45.200 0.625 1
1 704 . 19 1 1 A 74 74 GLY N N 74 108.672 108.971 -0.299 1
1 705 . 19 1 1 A 75 75 VAL H H 75 8.168 8.646 -0.478 1
1 706 . 19 1 1 A 75 75 VAL HA H 75 3.881 4.134 -0.253 1
1 714 . 19 1 1 A 75 75 VAL C C 75 176.466 175.913 0.553 1
1 715 . 19 1 1 A 75 75 VAL CA C 75 64.845 63.349 1.496 1
1 716 . 19 1 1 A 75 75 VAL CB C 75 32.811 32.931 -0.120 1
1 719 . 19 1 1 A 75 75 VAL N N 75 119.832 126.600 -6.768 1
1 720 . 19 1 1 A 76 76 PHE H H 76 8.138 7.469 0.669 1
1 721 . 19 1 1 A 76 76 PHE HA H 76 4.664 4.973 -0.309 1
1 729 . 19 1 1 A 76 76 PHE C C 76 176.775 174.566 2.209 1
1 730 . 19 1 1 A 76 76 PHE CA C 76 58.810 56.029 2.781 1
1 731 . 19 1 1 A 76 76 PHE CB C 76 39.177 41.524 -2.347 1
1 732 . 19 1 1 A 76 76 PHE N N 76 118.007 118.531 -0.524 1
1 733 . 19 1 1 A 77 77 GLY H H 77 8.080 8.458 -0.378 1
1 734 . 19 1 1 A 77 77 GLY HA2 H 77 3.948 4.071 -0.123 1
1 735 . 19 1 1 A 77 77 GLY C C 77 175.581 174.388 1.193 1
1 736 . 19 1 1 A 77 77 GLY CA C 77 47.292 45.123 2.169 1
1 737 . 19 1 1 A 77 77 GLY N N 77 107.115 108.205 -1.090 1
1 738 . 19 1 1 A 78 78 GLY H H 78 8.136 7.905 0.231 1
1 739 . 19 1 1 A 78 78 GLY HA2 H 78 4.011 3.994 0.017 1
1 740 . 19 1 1 A 78 78 GLY C C 78 175.337 174.992 0.345 1
1 741 . 19 1 1 A 78 78 GLY CA C 78 46.315 45.398 0.917 1
1 742 . 19 1 1 A 78 78 GLY N N 78 108.462 107.403 1.059 1
1 743 . 19 1 1 A 79 79 LEU H H 79 7.641 7.251 0.390 1
1 744 . 19 1 1 A 79 79 LEU HA H 79 4.022 4.166 -0.144 1
1 753 . 19 1 1 A 79 79 LEU C C 79 177.256 178.340 -1.084 1
1 754 . 19 1 1 A 79 79 LEU CA C 79 57.813 56.747 1.066 1
1 755 . 19 1 1 A 79 79 LEU CB C 79 43.316 43.337 -0.021 1
1 759 . 19 1 1 A 79 79 LEU N N 79 121.664 119.311 2.353 1
1 760 . 19 1 1 A 80 80 PHE H H 80 7.944 6.976 0.968 1
1 761 . 19 1 1 A 80 80 PHE HA H 80 4.633 4.729 -0.096 1
1 768 . 19 1 1 A 80 80 PHE C C 80 175.433 175.640 -0.207 1
1 769 . 19 1 1 A 80 80 PHE CA C 80 58.208 57.061 1.147 1
1 770 . 19 1 1 A 80 80 PHE CB C 80 39.615 38.956 0.659 1
1 771 . 19 1 1 A 80 80 PHE N N 80 114.796 111.461 3.335 1
1 772 . 19 1 1 A 81 81 ALA H H 81 7.611 7.224 0.387 1
1 773 . 19 1 1 A 81 81 ALA HA H 81 4.364 4.112 0.252 1
1 777 . 19 1 1 A 81 81 ALA C C 81 177.568 177.199 0.369 1
1 778 . 19 1 1 A 81 81 ALA CA C 81 52.989 52.935 0.054 1
1 779 . 19 1 1 A 81 81 ALA CB C 81 19.902 18.989 0.913 1
1 780 . 19 1 1 A 81 81 ALA N N 81 122.618 123.507 -0.889 1
1 781 . 19 1 1 A 82 82 LYS H H 82 8.155 8.515 -0.360 1
1 782 . 19 1 1 A 82 82 LYS HA H 82 4.313 4.771 -0.458 1
1 784 . 19 1 1 A 82 82 LYS C C 82 176.941 176.273 0.668 1
1 785 . 19 1 1 A 82 82 LYS CA C 82 57.023 55.553 1.470 1
1 786 . 19 1 1 A 82 82 LYS CB C 82 33.299 34.034 -0.735 1
1 789 . 19 1 1 A 82 82 LYS N N 82 120.345 122.809 -2.464 1
1 790 . 19 1 1 A 83 83 LYS H H 83 8.256 9.056 -0.800 1
1 791 . 19 1 1 A 83 83 LYS HA H 83 4.378 3.956 0.422 1
1 794 . 19 1 1 A 83 83 LYS CA C 83 56.618 57.189 -0.571 1
1 795 . 19 1 1 A 83 83 LYS CB C 83 33.767 30.863 2.904 1
1 799 . 19 1 1 A 83 83 LYS N N 83 122.901 120.182 2.719 1
1 6 . 20 1 1 A 2 2 ALA H H 2 8.448 8.543 -0.095 1
1 7 . 20 1 1 A 2 2 ALA HA H 2 4.314 4.928 -0.614 1
1 11 . 20 1 1 A 2 2 ALA C C 2 177.731 177.035 0.696 1
1 12 . 20 1 1 A 2 2 ALA CA C 2 53.711 50.157 3.554 1
1 13 . 20 1 1 A 2 2 ALA CB C 2 19.629 22.215 -2.586 1
1 14 . 20 1 1 A 2 2 ALA N N 2 125.995 123.170 2.825 1
1 15 . 20 1 1 A 3 3 ALA H H 3 8.148 8.521 -0.373 1
1 16 . 20 1 1 A 3 3 ALA HA H 3 4.292 4.016 0.276 1
1 20 . 20 1 1 A 3 3 ALA C C 3 177.888 177.307 0.581 1
1 21 . 20 1 1 A 3 3 ALA CA C 3 53.439 54.235 -0.796 1
1 22 . 20 1 1 A 3 3 ALA CB C 3 19.671 18.084 1.587 1
1 23 . 20 1 1 A 3 3 ALA N N 3 121.767 121.207 0.560 1
1 24 . 20 1 1 A 4 4 LYS H H 4 8.047 8.887 -0.840 1
1 25 . 20 1 1 A 4 4 LYS HA H 4 4.314 4.557 -0.243 1
1 27 . 20 1 1 A 4 4 LYS C C 4 177.363 176.931 0.432 1
1 28 . 20 1 1 A 4 4 LYS CA C 4 57.279 57.081 0.198 1
1 29 . 20 1 1 A 4 4 LYS CB C 4 33.570 35.349 -1.779 1
1 33 . 20 1 1 A 4 4 LYS N N 4 119.233 118.589 0.644 1
1 34 . 20 1 1 A 5 5 GLY H H 5 8.317 7.747 0.570 1
1 35 . 20 1 1 A 5 5 GLY HA2 H 5 4.039 4.133 -0.094 1
1 36 . 20 1 1 A 5 5 GLY C C 5 174.706 171.630 3.076 1
1 37 . 20 1 1 A 5 5 GLY CA C 5 46.246 44.982 1.264 1
1 38 . 20 1 1 A 5 5 GLY N N 5 109.070 104.130 4.940 1
1 39 . 20 1 1 A 6 6 THR H H 6 8.002 8.551 -0.549 1
1 40 . 20 1 1 A 6 6 THR HA H 6 4.357 4.674 -0.317 1
1 42 . 20 1 1 A 6 6 THR C C 6 174.839 174.935 -0.096 1
1 43 . 20 1 1 A 6 6 THR CA C 6 62.444 60.923 1.521 1
1 44 . 20 1 1 A 6 6 THR CB C 6 70.490 68.349 2.141 1
1 46 . 20 1 1 A 6 6 THR N N 6 112.809 115.552 -2.743 1
1 47 . 20 1 1 A 7 7 ALA H H 7 8.309 8.415 -0.106 1
1 48 . 20 1 1 A 7 7 ALA HA H 7 4.322 4.150 0.172 1
1 52 . 20 1 1 A 7 7 ALA C C 7 178.032 177.652 0.380 1
1 53 . 20 1 1 A 7 7 ALA CA C 7 53.792 54.470 -0.678 1
1 54 . 20 1 1 A 7 7 ALA CB C 7 19.733 18.793 0.940 1
1 55 . 20 1 1 A 7 7 ALA N N 7 125.292 127.739 -2.447 1
1 56 . 20 1 1 A 8 8 GLU H H 8 8.358 7.902 0.456 1
1 57 . 20 1 1 A 8 8 GLU HA H 8 4.297 4.333 -0.036 1
1 59 . 20 1 1 A 8 8 GLU C C 8 176.936 175.325 1.611 1
1 60 . 20 1 1 A 8 8 GLU CA C 8 57.618 56.070 1.548 1
1 61 . 20 1 1 A 8 8 GLU CB C 8 30.792 29.753 1.039 1
1 63 . 20 1 1 A 8 8 GLU N N 8 118.943 118.550 0.393 1
1 64 . 20 1 1 A 9 9 THR H H 9 7.974 8.865 -0.891 1
1 65 . 20 1 1 A 9 9 THR HA H 9 4.365 4.794 -0.429 1
1 67 . 20 1 1 A 9 9 THR C C 9 174.629 173.216 1.413 1
1 68 . 20 1 1 A 9 9 THR CA C 9 62.617 61.887 0.730 1
1 69 . 20 1 1 A 9 9 THR CB C 9 70.422 67.823 2.599 1
1 71 . 20 1 1 A 9 9 THR N N 9 113.540 121.813 -8.273 1
1 72 . 20 1 1 A 10 10 LYS H H 10 8.242 8.060 0.182 1
1 73 . 20 1 1 A 10 10 LYS HA H 10 4.314 4.593 -0.279 1
1 75 . 20 1 1 A 10 10 LYS C C 10 176.513 174.840 1.673 1
1 76 . 20 1 1 A 10 10 LYS CA C 10 57.173 55.795 1.378 1
1 77 . 20 1 1 A 10 10 LYS CB C 10 33.511 35.599 -2.088 1
1 81 . 20 1 1 A 10 10 LYS N N 10 123.339 126.576 -3.237 1
1 82 . 20 1 1 A 11 11 GLN H H 11 8.381 8.765 -0.384 1
1 83 . 20 1 1 A 11 11 GLN HA H 11 4.322 4.483 -0.161 1
1 89 . 20 1 1 A 11 11 GLN C C 11 176.073 176.750 -0.677 1
1 90 . 20 1 1 A 11 11 GLN CA C 11 56.689 56.960 -0.271 1
1 91 . 20 1 1 A 11 11 GLN CB C 11 29.940 29.990 -0.050 1
1 93 . 20 1 1 A 11 11 GLN N N 11 120.885 124.421 -3.536 1
1 95 . 20 1 1 A 12 12 GLU H H 12 8.407 8.093 0.314 1
1 96 . 20 1 1 A 12 12 GLU HA H 12 4.304 3.999 0.305 1
1 98 . 20 1 1 A 12 12 GLU C C 12 176.253 175.771 0.482 1
1 99 . 20 1 1 A 12 12 GLU CA C 12 57.536 58.747 -1.211 1
1 100 . 20 1 1 A 12 12 GLU CB C 12 30.799 28.603 2.196 1
1 102 . 20 1 1 A 12 12 GLU N N 12 121.152 117.092 4.060 1
1 103 . 20 1 1 A 13 13 LYS H H 13 8.220 8.087 0.133 1
1 104 . 20 1 1 A 13 13 LYS HA H 13 4.542 4.569 -0.027 1
1 108 . 20 1 1 A 13 13 LYS C C 13 175.856 176.520 -0.664 1
1 109 . 20 1 1 A 13 13 LYS CA C 13 56.335 55.606 0.729 1
1 110 . 20 1 1 A 13 13 LYS CB C 13 33.863 32.706 1.157 1
1 114 . 20 1 1 A 13 13 LYS N N 13 121.312 114.867 6.445 1
1 115 . 20 1 1 A 14 14 SER H H 14 8.447 7.598 0.849 1
1 116 . 20 1 1 A 14 14 SER HA H 14 4.639 4.788 -0.149 1
1 119 . 20 1 1 A 14 14 SER C C 14 175.529 175.778 -0.249 1
1 120 . 20 1 1 A 14 14 SER CA C 14 58.802 57.041 1.761 1
1 121 . 20 1 1 A 14 14 SER CB C 14 64.803 65.259 -0.456 1
1 122 . 20 1 1 A 14 14 SER N N 14 116.487 115.743 0.744 1
1 123 . 20 1 1 A 15 15 PHE H H 15 8.802 9.374 -0.572 1
1 124 . 20 1 1 A 15 15 PHE HA H 15 4.448 4.319 0.129 1
1 129 . 20 1 1 A 15 15 PHE C C 15 176.935 177.623 -0.688 1
1 130 . 20 1 1 A 15 15 PHE CA C 15 62.188 60.693 1.495 1
1 131 . 20 1 1 A 15 15 PHE CB C 15 39.721 38.057 1.664 1
1 132 . 20 1 1 A 15 15 PHE N N 15 124.339 122.660 1.679 1
1 133 . 20 1 1 A 16 16 VAL H H 16 8.025 7.501 0.524 1
1 134 . 20 1 1 A 16 16 VAL HA H 16 3.490 3.296 0.194 1
1 142 . 20 1 1 A 16 16 VAL C C 16 177.123 177.208 -0.085 1
1 143 . 20 1 1 A 16 16 VAL CA C 16 67.959 64.525 3.434 1
1 144 . 20 1 1 A 16 16 VAL CB C 16 32.250 30.699 1.551 1
1 147 . 20 1 1 A 16 16 VAL N N 16 118.329 120.778 -2.449 1
1 148 . 20 1 1 A 17 17 ASP H H 17 7.926 8.184 -0.258 1
1 149 . 20 1 1 A 17 17 ASP HA H 17 4.354 4.332 0.022 1
1 152 . 20 1 1 A 17 17 ASP C C 17 179.625 178.351 1.274 1
1 153 . 20 1 1 A 17 17 ASP CA C 17 58.204 57.187 1.017 1
1 154 . 20 1 1 A 17 17 ASP CB C 17 41.324 41.377 -0.053 1
1 155 . 20 1 1 A 17 17 ASP N N 17 118.753 121.029 -2.276 1
1 156 . 20 1 1 A 18 18 TRP H H 18 8.174 8.028 0.146 1
1 157 . 20 1 1 A 18 18 TRP HA H 18 4.111 4.367 -0.256 1
1 163 . 20 1 1 A 18 18 TRP CA C 18 62.194 60.770 1.424 1
1 164 . 20 1 1 A 18 18 TRP CB C 18 29.150 29.677 -0.527 1
1 165 . 20 1 1 A 18 18 TRP N N 18 122.311 121.737 0.574 1
1 167 . 20 1 1 A 19 19 LEU H H 19 8.517 8.593 -0.076 1
1 168 . 20 1 1 A 19 19 LEU HA H 19 3.447 3.711 -0.264 1
1 178 . 20 1 1 A 19 19 LEU C C 19 179.115 178.772 0.343 1
1 179 . 20 1 1 A 19 19 LEU CA C 19 58.630 58.216 0.414 1
1 180 . 20 1 1 A 19 19 LEU CB C 19 42.676 41.773 0.903 1
1 184 . 20 1 1 A 19 19 LEU N N 19 120.943 121.245 -0.302 1
1 185 . 20 1 1 A 20 20 LEU H H 20 8.713 8.499 0.214 1
1 186 . 20 1 1 A 20 20 LEU HA H 20 3.972 3.973 -0.001 1
1 196 . 20 1 1 A 20 20 LEU C C 20 180.266 178.707 1.559 1
1 197 . 20 1 1 A 20 20 LEU CA C 20 58.318 57.752 0.566 1
1 198 . 20 1 1 A 20 20 LEU CB C 20 41.655 41.626 0.029 1
1 202 . 20 1 1 A 20 20 LEU N N 20 117.598 119.618 -2.020 1
1 203 . 20 1 1 A 21 21 GLY H H 21 7.783 8.293 -0.510 1
1 204 . 20 1 1 A 21 21 GLY HA2 H 21 3.829 3.834 -0.005 1
1 205 . 20 1 1 A 21 21 GLY C C 21 175.390 175.390 0.000 1
1 206 . 20 1 1 A 21 21 GLY CA C 21 46.978 46.670 0.308 1
1 207 . 20 1 1 A 21 21 GLY N N 21 106.102 107.066 -0.964 1
1 208 . 20 1 1 A 22 22 LYS H H 22 7.443 8.158 -0.715 1
1 209 . 20 1 1 A 22 22 LYS HA H 22 4.090 4.149 -0.059 1
1 217 . 20 1 1 A 22 22 LYS C C 22 177.806 177.355 0.451 1
1 218 . 20 1 1 A 22 22 LYS CA C 22 56.974 58.846 -1.872 1
1 219 . 20 1 1 A 22 22 LYS CB C 22 32.718 32.761 -0.043 1
1 223 . 20 1 1 A 22 22 LYS N N 22 118.883 120.884 -2.001 1
1 224 . 20 1 1 A 23 23 ILE H H 23 7.550 7.420 0.130 1
1 225 . 20 1 1 A 23 23 ILE HA H 23 4.165 4.223 -0.058 1
1 235 . 20 1 1 A 23 23 ILE C C 23 175.996 176.802 -0.806 1
1 236 . 20 1 1 A 23 23 ILE CA C 23 62.916 61.499 1.417 1
1 237 . 20 1 1 A 23 23 ILE CB C 23 39.444 39.169 0.275 1
1 241 . 20 1 1 A 23 23 ILE N N 23 114.457 116.973 -2.516 1
1 242 . 20 1 1 A 24 24 THR H H 24 7.778 8.205 -0.427 1
1 243 . 20 1 1 A 24 24 THR HA H 24 4.379 3.947 0.432 1
1 248 . 20 1 1 A 24 24 THR C C 24 174.616 174.053 0.563 1
1 249 . 20 1 1 A 24 24 THR CA C 24 62.699 66.007 -3.308 1
1 250 . 20 1 1 A 24 24 THR CB C 24 70.567 67.039 3.528 1
1 252 . 20 1 1 A 24 24 THR N N 24 113.224 113.743 -0.519 1
1 253 . 20 1 1 A 25 25 LYS H H 25 7.956 8.396 -0.440 1
1 259 . 20 1 1 A 25 25 LYS CA C 25 56.696 56.244 0.452 1
1 260 . 20 1 1 A 25 25 LYS CB C 25 33.428 33.557 -0.129 1
1 262 . 20 1 1 A 25 25 LYS N N 25 122.468 119.422 3.046 1
1 263 . 20 1 1 A 26 26 GLU H H 26 8.392 8.569 -0.177 1
1 264 . 20 1 1 A 26 26 GLU HA H 26 4.230 4.617 -0.387 1
1 268 . 20 1 1 A 26 26 GLU C C 26 176.320 175.660 0.660 1
1 269 . 20 1 1 A 26 26 GLU CA C 26 57.616 55.071 2.545 1
1 270 . 20 1 1 A 26 26 GLU CB C 26 30.854 30.003 0.851 1
1 272 . 20 1 1 A 26 26 GLU N N 26 121.068 118.104 2.964 1
1 273 . 20 1 1 A 27 27 ASP H H 27 8.299 8.148 0.151 1
1 274 . 20 1 1 A 27 27 ASP HA H 27 4.496 4.111 0.385 1
1 276 . 20 1 1 A 27 27 ASP C C 27 175.931 174.757 1.174 1
1 277 . 20 1 1 A 27 27 ASP CA C 27 55.161 55.441 -0.280 1
1 278 . 20 1 1 A 27 27 ASP CB C 27 41.532 38.968 2.564 1
1 279 . 20 1 1 A 27 27 ASP N N 27 119.412 115.096 4.316 1
1 280 . 20 1 1 A 28 28 GLN H H 28 8.108 7.886 0.222 1
1 281 . 20 1 1 A 28 28 GLN HA H 28 4.215 4.508 -0.293 1
1 286 . 20 1 1 A 28 28 GLN C C 28 175.845 175.090 0.755 1
1 287 . 20 1 1 A 28 28 GLN CA C 28 56.559 54.162 2.397 1
1 288 . 20 1 1 A 28 28 GLN CB C 28 30.105 29.746 0.359 1
1 290 . 20 1 1 A 28 28 GLN N N 28 119.037 114.943 4.094 1
1 292 . 20 1 1 A 29 29 PHE H H 29 8.235 8.279 -0.044 1
1 293 . 20 1 1 A 29 29 PHE HA H 29 4.514 4.693 -0.179 1
1 299 . 20 1 1 A 29 29 PHE C C 29 175.361 173.025 2.336 1
1 300 . 20 1 1 A 29 29 PHE CA C 29 58.810 57.810 1.000 1
1 301 . 20 1 1 A 29 29 PHE CB C 29 40.000 39.844 0.156 1
1 302 . 20 1 1 A 29 29 PHE N N 29 120.622 120.544 0.078 1
1 303 . 20 1 1 A 30 30 TYR H H 30 7.715 8.210 -0.495 1
1 304 . 20 1 1 A 30 30 TYR HA H 30 4.508 4.853 -0.345 1
1 310 . 20 1 1 A 30 30 TYR C C 30 175.416 175.255 0.161 1
1 311 . 20 1 1 A 30 30 TYR CA C 30 58.544 56.459 2.085 1
1 312 . 20 1 1 A 30 30 TYR CB C 30 39.613 39.561 0.052 1
1 313 . 20 1 1 A 30 30 TYR N N 30 119.864 121.019 -1.155 1
1 314 . 20 1 1 A 31 31 GLU H H 31 8.187 8.331 -0.144 1
1 315 . 20 1 1 A 31 31 GLU HA H 31 4.293 4.670 -0.377 1
1 319 . 20 1 1 A 31 31 GLU C C 31 176.148 176.920 -0.772 1
1 320 . 20 1 1 A 31 31 GLU CA C 31 57.172 55.109 2.063 1
1 321 . 20 1 1 A 31 31 GLU CB C 31 30.845 29.214 1.631 1
1 323 . 20 1 1 A 31 31 GLU N N 31 121.546 118.325 3.221 1
1 324 . 20 1 1 A 32 32 THR H H 32 7.864 8.157 -0.293 1
1 325 . 20 1 1 A 32 32 THR HA H 32 4.359 3.900 0.459 1
1 330 . 20 1 1 A 32 32 THR C C 32 173.970 173.880 0.090 1
1 331 . 20 1 1 A 32 32 THR CA C 32 62.043 62.951 -0.908 1
1 332 . 20 1 1 A 32 32 THR CB C 32 70.721 67.259 3.462 1
1 334 . 20 1 1 A 32 32 THR N N 32 113.695 113.407 0.288 1
1 335 . 20 1 1 A 33 33 ASP H H 33 8.317 7.873 0.444 1
1 336 . 20 1 1 A 33 33 ASP HA H 33 4.880 5.116 -0.236 1
1 339 . 20 1 1 A 33 33 ASP CA C 33 53.661 51.238 2.423 1
1 340 . 20 1 1 A 33 33 ASP CB C 33 41.474 41.214 0.260 1
1 341 . 20 1 1 A 33 33 ASP N N 33 123.601 120.997 2.604 1
1 342 . 20 1 1 A 34 34 PRO HA H 34 4.408 4.566 -0.158 1
1 348 . 20 1 1 A 34 34 PRO C C 34 174.420 177.048 -2.628 1
1 349 . 20 1 1 A 34 34 PRO CA C 34 64.164 62.262 1.902 1
1 350 . 20 1 1 A 34 34 PRO CB C 34 32.774 29.103 3.671 1
1 353 . 20 1 1 A 35 35 ILE H H 35 8.143 8.383 -0.240 1
1 354 . 20 1 1 A 35 35 ILE HA H 35 4.046 3.764 0.282 1
1 364 . 20 1 1 A 35 35 ILE C C 35 176.474 175.508 0.966 1
1 365 . 20 1 1 A 35 35 ILE CA C 35 62.937 63.403 -0.466 1
1 366 . 20 1 1 A 35 35 ILE CB C 35 39.275 37.883 1.392 1
1 370 . 20 1 1 A 35 35 ILE N N 35 120.322 122.646 -2.324 1
1 371 . 20 1 1 A 36 36 LEU H H 36 7.975 7.800 0.175 1
1 372 . 20 1 1 A 36 36 LEU HA H 36 4.398 4.326 0.072 1
1 381 . 20 1 1 A 36 36 LEU C C 36 177.299 176.543 0.756 1
1 382 . 20 1 1 A 36 36 LEU CA C 36 56.022 56.429 -0.407 1
1 383 . 20 1 1 A 36 36 LEU CB C 36 42.837 41.649 1.188 1
1 387 . 20 1 1 A 36 36 LEU N N 36 121.023 123.492 -2.469 1
1 388 . 20 1 1 A 37 37 ARG H H 37 7.932 8.534 -0.602 1
1 389 . 20 1 1 A 37 37 ARG HA H 37 4.345 4.409 -0.064 1
1 395 . 20 1 1 A 37 37 ARG C C 37 176.869 176.646 0.223 1
1 396 . 20 1 1 A 37 37 ARG CA C 37 56.912 55.288 1.624 1
1 397 . 20 1 1 A 37 37 ARG CB C 37 31.127 29.248 1.879 1
1 400 . 20 1 1 A 37 37 ARG N N 37 118.673 123.063 -4.390 1
1 402 . 20 1 1 A 38 38 GLY H H 38 8.271 8.443 -0.172 1
1 403 . 20 1 1 A 38 38 GLY HA2 H 38 3.986 3.970 0.016 1
1 404 . 20 1 1 A 38 38 GLY C C 38 174.864 173.822 1.042 1
1 405 . 20 1 1 A 38 38 GLY CA C 38 46.258 45.764 0.494 1
1 406 . 20 1 1 A 38 38 GLY N N 38 108.377 110.661 -2.284 1
1 407 . 20 1 1 A 39 39 GLY H H 39 8.218 7.442 0.776 1
1 408 . 20 1 1 A 39 39 GLY HA2 H 39 3.998 4.186 -0.188 1
1 409 . 20 1 1 A 39 39 GLY C C 39 174.158 172.527 1.631 1
1 410 . 20 1 1 A 39 39 GLY CA C 39 46.187 45.692 0.495 1
1 411 . 20 1 1 A 39 39 GLY N N 39 108.485 107.008 1.477 1
1 412 . 20 1 1 A 40 40 ASP H H 40 8.274 8.725 -0.451 1
1 413 . 20 1 1 A 40 40 ASP HA H 40 4.699 4.887 -0.188 1
1 415 . 20 1 1 A 40 40 ASP C C 40 176.791 176.890 -0.099 1
1 416 . 20 1 1 A 40 40 ASP CA C 40 55.105 55.383 -0.278 1
1 417 . 20 1 1 A 40 40 ASP CB C 40 41.715 43.227 -1.512 1
1 418 . 20 1 1 A 40 40 ASP N N 40 120.261 122.370 -2.109 1
1 419 . 20 1 1 A 41 41 VAL H H 41 8.071 8.093 -0.022 1
1 420 . 20 1 1 A 41 41 VAL HA H 41 3.993 3.899 0.094 1
1 425 . 20 1 1 A 41 41 VAL C C 41 176.869 176.061 0.808 1
1 426 . 20 1 1 A 41 41 VAL CA C 41 64.502 64.909 -0.407 1
1 427 . 20 1 1 A 41 41 VAL CB C 41 32.773 31.943 0.830 1
1 429 . 20 1 1 A 41 41 VAL N N 41 120.111 117.571 2.540 1
1 430 . 20 1 1 A 42 42 LYS H H 42 8.213 7.581 0.632 1
1 431 . 20 1 1 A 42 42 LYS HA H 42 4.299 4.624 -0.325 1
1 434 . 20 1 1 A 42 42 LYS C C 42 177.041 176.456 0.585 1
1 435 . 20 1 1 A 42 42 LYS CA C 42 57.639 57.853 -0.214 1
1 436 . 20 1 1 A 42 42 LYS CB C 42 33.227 34.688 -1.461 1
1 440 . 20 1 1 A 42 42 LYS N N 42 121.557 120.768 0.789 1
1 441 . 20 1 1 A 43 43 SER H H 43 8.126 7.907 0.219 1
1 442 . 20 1 1 A 43 43 SER HA H 43 4.452 4.654 -0.202 1
1 444 . 20 1 1 A 43 43 SER C C 43 175.085 174.263 0.822 1
1 445 . 20 1 1 A 43 43 SER CA C 43 59.403 59.436 -0.033 1
1 446 . 20 1 1 A 43 43 SER CB C 43 64.208 65.173 -0.965 1
1 447 . 20 1 1 A 43 43 SER N N 43 115.295 112.884 2.411 1
1 448 . 20 1 1 A 44 44 SER H H 44 8.251 8.148 0.103 1
1 449 . 20 1 1 A 44 44 SER HA H 44 4.479 4.213 0.266 1
1 451 . 20 1 1 A 44 44 SER C C 44 175.331 173.752 1.579 1
1 452 . 20 1 1 A 44 44 SER CA C 44 59.701 59.002 0.699 1
1 453 . 20 1 1 A 44 44 SER CB C 44 64.453 61.672 2.781 1
1 454 . 20 1 1 A 44 44 SER N N 44 117.357 114.826 2.531 1
1 455 . 20 1 1 A 45 45 GLY H H 45 8.401 8.056 0.345 1
1 456 . 20 1 1 A 45 45 GLY HA2 H 45 4.030 4.150 -0.120 1
1 457 . 20 1 1 A 45 45 GLY C C 45 174.472 172.897 1.575 1
1 458 . 20 1 1 A 45 45 GLY CA C 45 46.258 45.672 0.586 1
1 459 . 20 1 1 A 45 45 GLY N N 45 110.523 111.878 -1.355 1
1 460 . 20 1 1 A 46 46 SER H H 46 8.177 8.684 -0.507 1
1 461 . 20 1 1 A 46 46 SER HA H 46 4.536 4.068 0.468 1
1 463 . 20 1 1 A 46 46 SER C C 46 175.206 173.575 1.631 1
1 464 . 20 1 1 A 46 46 SER CA C 46 59.244 58.795 0.449 1
1 465 . 20 1 1 A 46 46 SER CB C 46 64.484 61.926 2.558 1
1 466 . 20 1 1 A 46 46 SER N N 46 115.297 113.851 1.446 1
1 467 . 20 1 1 A 47 47 THR H H 47 8.198 8.697 -0.499 1
1 468 . 20 1 1 A 47 47 THR HA H 47 4.432 4.728 -0.296 1
1 470 . 20 1 1 A 47 47 THR C C 47 174.939 173.009 1.930 1
1 471 . 20 1 1 A 47 47 THR CA C 47 62.746 61.609 1.137 1
1 472 . 20 1 1 A 47 47 THR CB C 47 70.246 67.255 2.991 1
1 474 . 20 1 1 A 47 47 THR N N 47 114.635 118.340 -3.705 1
1 475 . 20 1 1 A 48 48 SER H H 48 8.228 8.366 -0.138 1
1 476 . 20 1 1 A 48 48 SER HA H 48 4.473 4.936 -0.463 1
1 478 . 20 1 1 A 48 48 SER C C 48 175.241 173.211 2.030 1
1 479 . 20 1 1 A 48 48 SER CA C 48 59.480 57.382 2.098 1
1 480 . 20 1 1 A 48 48 SER CB C 48 64.429 65.940 -1.511 1
1 481 . 20 1 1 A 48 48 SER N N 48 117.146 116.013 1.133 1
1 482 . 20 1 1 A 49 49 GLY H H 49 8.342 8.259 0.083 1
1 483 . 20 1 1 A 49 49 GLY HA2 H 49 4.048 4.027 0.021 1
1 484 . 20 1 1 A 49 49 GLY C C 49 174.776 174.624 0.152 1
1 485 . 20 1 1 A 49 49 GLY CA C 49 46.233 45.817 0.416 1
1 486 . 20 1 1 A 49 49 GLY N N 49 110.627 107.839 2.788 1
1 487 . 20 1 1 A 50 50 LYS H H 50 8.124 8.164 -0.040 1
1 488 . 20 1 1 A 50 50 LYS HA H 50 4.302 4.433 -0.131 1
1 490 . 20 1 1 A 50 50 LYS C C 50 176.932 176.903 0.029 1
1 491 . 20 1 1 A 50 50 LYS CA C 50 57.333 56.068 1.265 1
1 492 . 20 1 1 A 50 50 LYS CB C 50 33.497 34.169 -0.672 1
1 496 . 20 1 1 A 50 50 LYS N N 50 120.037 121.244 -1.207 1
1 497 . 20 1 1 A 51 51 LYS H H 51 8.089 7.970 0.119 1
1 498 . 20 1 1 A 51 51 LYS HA H 51 4.325 4.371 -0.046 1
1 500 . 20 1 1 A 51 51 LYS C C 51 177.169 175.094 2.075 1
1 501 . 20 1 1 A 51 51 LYS CA C 51 57.251 56.650 0.601 1
1 502 . 20 1 1 A 51 51 LYS CB C 51 33.293 31.953 1.340 1
1 506 . 20 1 1 A 51 51 LYS N N 51 120.805 119.078 1.727 1
1 507 . 20 1 1 A 52 52 GLY H H 52 8.304 8.823 -0.519 1
1 508 . 20 1 1 A 52 52 GLY HA2 H 52 4.005 4.094 -0.089 1
1 509 . 20 1 1 A 52 52 GLY C C 52 174.545 175.052 -0.507 1
1 510 . 20 1 1 A 52 52 GLY CA C 52 46.250 46.647 -0.397 1
1 511 . 20 1 1 A 52 52 GLY N N 52 109.109 109.264 -0.155 1
1 512 . 20 1 1 A 53 53 GLY H H 53 8.201 8.578 -0.377 1
1 513 . 20 1 1 A 53 53 GLY HA2 H 53 4.051 3.918 0.133 1
1 514 . 20 1 1 A 53 53 GLY C C 53 174.771 174.042 0.729 1
1 515 . 20 1 1 A 53 53 GLY CA C 53 46.204 46.529 -0.325 1
1 516 . 20 1 1 A 53 53 GLY N N 53 108.474 112.103 -3.629 1
1 517 . 20 1 1 A 54 54 THR H H 54 8.115 7.999 0.116 1
1 518 . 20 1 1 A 54 54 THR HA H 54 4.442 4.238 0.204 1
1 522 . 20 1 1 A 54 54 THR C C 54 175.190 174.710 0.480 1
1 523 . 20 1 1 A 54 54 THR CA C 54 62.904 63.189 -0.285 1
1 524 . 20 1 1 A 54 54 THR CB C 54 70.261 67.780 2.481 1
1 525 . 20 1 1 A 54 54 THR N N 54 113.386 110.989 2.397 1
1 526 . 20 1 1 A 55 55 THR H H 55 8.158 8.522 -0.364 1
1 527 . 20 1 1 A 55 55 THR HA H 55 4.452 4.522 -0.070 1
1 531 . 20 1 1 A 55 55 THR C C 55 175.050 174.743 0.307 1
1 532 . 20 1 1 A 55 55 THR CA C 55 62.740 63.324 -0.584 1
1 533 . 20 1 1 A 55 55 THR CB C 55 70.171 70.580 -0.409 1
1 535 . 20 1 1 A 55 55 THR N N 55 114.825 116.816 -1.991 1
1 536 . 20 1 1 A 56 56 SER H H 56 8.233 8.206 0.027 1
1 537 . 20 1 1 A 56 56 SER HA H 56 4.484 4.103 0.381 1
1 539 . 20 1 1 A 56 56 SER C C 56 175.314 173.389 1.925 1
1 540 . 20 1 1 A 56 56 SER CA C 56 59.419 59.126 0.293 1
1 541 . 20 1 1 A 56 56 SER CB C 56 64.576 61.764 2.812 1
1 542 . 20 1 1 A 56 56 SER N N 56 117.144 116.568 0.576 1
1 543 . 20 1 1 A 57 57 GLY H H 57 8.340 8.006 0.334 1
1 544 . 20 1 1 A 57 57 GLY HA2 H 57 4.043 4.233 -0.190 1
1 545 . 20 1 1 A 57 57 GLY C C 57 176.801 174.011 2.790 1
1 546 . 20 1 1 A 57 57 GLY CA C 57 45.927 45.950 -0.023 1
1 547 . 20 1 1 A 57 57 GLY N N 57 110.613 112.430 -1.817 1
1 548 . 20 1 1 A 58 58 LYS H H 58 8.125 9.109 -0.984 1
1 549 . 20 1 1 A 58 58 LYS HA H 58 4.313 4.204 0.109 1
1 554 . 20 1 1 A 58 58 LYS C C 58 176.220 176.031 0.189 1
1 555 . 20 1 1 A 58 58 LYS CA C 58 57.524 58.179 -0.655 1
1 556 . 20 1 1 A 58 58 LYS CB C 58 33.485 32.572 0.913 1
1 560 . 20 1 1 A 58 58 LYS N N 58 120.526 121.043 -0.517 1
1 561 . 20 1 1 A 59 59 LYS H H 59 8.227 8.485 -0.258 1
1 562 . 20 1 1 A 59 59 LYS HA H 59 4.202 4.026 0.176 1
1 567 . 20 1 1 A 59 59 LYS C C 59 177.075 176.657 0.418 1
1 568 . 20 1 1 A 59 59 LYS CA C 59 58.240 57.359 0.881 1
1 569 . 20 1 1 A 59 59 LYS CB C 59 33.354 29.191 4.163 1
1 573 . 20 1 1 A 59 59 LYS N N 59 121.098 118.868 2.230 1
1 574 . 20 1 1 A 60 60 GLY H H 60 8.337 8.106 0.231 1
1 575 . 20 1 1 A 60 60 GLY HA2 H 60 4.047 3.923 0.124 1
1 576 . 20 1 1 A 60 60 GLY C C 60 174.631 174.422 0.209 1
1 577 . 20 1 1 A 60 60 GLY CA C 60 46.282 45.362 0.920 1
1 578 . 20 1 1 A 60 60 GLY N N 60 109.436 105.574 3.862 1
1 579 . 20 1 1 A 61 61 THR H H 61 7.947 7.752 0.195 1
1 580 . 20 1 1 A 61 61 THR HA H 61 4.396 4.670 -0.274 1
1 585 . 20 1 1 A 61 61 THR C C 61 174.470 174.653 -0.183 1
1 586 . 20 1 1 A 61 61 THR CA C 61 62.795 61.107 1.688 1
1 587 . 20 1 1 A 61 61 THR CB C 61 70.637 70.352 0.285 1
1 589 . 20 1 1 A 61 61 THR N N 61 112.095 113.678 -1.583 1
1 590 . 20 1 1 A 62 62 VAL H H 62 7.788 8.055 -0.267 1
1 591 . 20 1 1 A 62 62 VAL HA H 62 4.243 4.441 -0.198 1
1 596 . 20 1 1 A 62 62 VAL CA C 62 62.733 63.250 -0.517 1
1 597 . 20 1 1 A 62 62 VAL CB C 62 33.693 34.387 -0.694 1
1 599 . 20 1 1 A 62 62 VAL N N 62 120.973 121.417 -0.444 1
1 600 . 20 1 1 A 63 63 SER H H 63 8.052 7.981 0.071 1
1 601 . 20 1 1 A 63 63 SER HA H 63 4.665 4.313 0.352 1
1 604 . 20 1 1 A 63 63 SER CA C 63 57.747 60.623 -2.876 1
1 605 . 20 1 1 A 63 63 SER CB C 63 64.991 63.028 1.963 1
1 606 . 20 1 1 A 63 63 SER N N 63 119.427 114.500 4.927 1
1 607 . 20 1 1 A 64 64 ILE H H 64 8.191 7.329 0.862 1
1 608 . 20 1 1 A 64 64 ILE HA H 64 4.313 4.755 -0.442 1
1 617 . 20 1 1 A 64 64 ILE CA C 64 59.873 57.090 2.783 1
1 618 . 20 1 1 A 64 64 ILE CB C 64 38.818 39.862 -1.044 1
1 621 . 20 1 1 A 64 64 ILE N N 64 122.947 117.202 5.745 1
1 622 . 20 1 1 A 65 65 PRO HA H 65 4.466 4.375 0.091 1
1 628 . 20 1 1 A 65 65 PRO CA C 65 64.303 64.195 0.108 1
1 629 . 20 1 1 A 65 65 PRO CB C 65 32.672 31.936 0.736 1
1 632 . 20 1 1 A 66 66 SER H H 66 8.002 8.156 -0.154 1
1 633 . 20 1 1 A 66 66 SER HA H 66 4.498 4.066 0.432 1
1 635 . 20 1 1 A 66 66 SER CA C 66 58.702 59.167 -0.465 1
1 636 . 20 1 1 A 66 66 SER CB C 66 64.819 62.256 2.563 1
1 637 . 20 1 1 A 66 66 SER N N 66 112.889 114.672 -1.783 1
1 638 . 20 1 1 A 67 67 LYS H H 67 8.137 8.429 -0.292 1
1 639 . 20 1 1 A 67 67 LYS HA H 67 4.347 3.937 0.410 1
1 641 . 20 1 1 A 67 67 LYS C C 67 176.555 174.859 1.696 1
1 642 . 20 1 1 A 67 67 LYS CA C 67 57.061 58.541 -1.480 1
1 643 . 20 1 1 A 67 67 LYS CB C 67 33.669 31.419 2.250 1
1 647 . 20 1 1 A 67 67 LYS N N 67 122.114 119.787 2.327 1
1 648 . 20 1 1 A 68 68 LYS H H 68 8.118 8.105 0.013 1
1 649 . 20 1 1 A 68 68 LYS HA H 68 4.322 4.609 -0.287 1
1 651 . 20 1 1 A 68 68 LYS C C 68 176.446 175.801 0.645 1
1 652 . 20 1 1 A 68 68 LYS CA C 68 57.043 55.801 1.242 1
1 653 . 20 1 1 A 68 68 LYS CB C 68 33.531 36.199 -2.668 1
1 657 . 20 1 1 A 68 68 LYS N N 68 121.435 116.718 4.717 1
1 658 . 20 1 1 A 69 69 LYS H H 69 8.394 8.592 -0.198 1
1 659 . 20 1 1 A 69 69 LYS HA H 69 4.351 4.406 -0.055 1
1 663 . 20 1 1 A 69 69 LYS C C 69 175.623 176.413 -0.790 1
1 664 . 20 1 1 A 69 69 LYS CA C 69 56.762 57.424 -0.662 1
1 665 . 20 1 1 A 69 69 LYS CB C 69 33.782 33.799 -0.017 1
1 669 . 20 1 1 A 69 69 LYS N N 69 121.052 124.600 -3.548 1
1 670 . 20 1 1 A 70 70 ASN H H 70 8.014 7.859 0.155 1
1 671 . 20 1 1 A 70 70 ASN HA H 70 4.515 5.029 -0.514 1
1 675 . 20 1 1 A 70 70 ASN CA C 70 55.331 51.484 3.847 1
1 676 . 20 1 1 A 70 70 ASN CB C 70 41.478 40.959 0.519 1
1 677 . 20 1 1 A 70 70 ASN N N 70 125.005 116.886 8.119 1
1 679 . 20 1 1 A 71 71 GLY H H 71 8.255 8.409 -0.154 1
1 680 . 20 1 1 A 71 71 GLY HA2 H 71 3.986 4.175 -0.189 1
1 681 . 20 1 1 A 71 71 GLY C C 71 174.458 172.869 1.589 1
1 682 . 20 1 1 A 71 71 GLY CA C 71 46.110 45.842 0.268 1
1 683 . 20 1 1 A 71 71 GLY N N 71 114.247 107.781 6.466 1
1 684 . 20 1 1 A 72 72 ASN H H 72 8.462 9.011 -0.549 1
1 685 . 20 1 1 A 72 72 ASN HA H 72 4.796 4.364 0.432 1
1 689 . 20 1 1 A 72 72 ASN C C 72 175.757 174.605 1.152 1
1 690 . 20 1 1 A 72 72 ASN CA C 72 53.882 54.184 -0.302 1
1 691 . 20 1 1 A 72 72 ASN CB C 72 39.885 37.112 2.773 1
1 692 . 20 1 1 A 72 72 ASN N N 72 118.314 117.401 0.913 1
1 694 . 20 1 1 A 73 73 GLY H H 73 8.469 8.130 0.339 1
1 695 . 20 1 1 A 73 73 GLY HA2 H 73 3.968 4.061 -0.093 1
1 696 . 20 1 1 A 73 73 GLY C C 73 174.791 173.678 1.113 1
1 697 . 20 1 1 A 73 73 GLY CA C 73 46.247 45.389 0.858 1
1 698 . 20 1 1 A 73 73 GLY N N 73 109.019 110.135 -1.116 1
1 699 . 20 1 1 A 74 74 GLY H H 74 7.946 8.459 -0.513 1
1 700 . 20 1 1 A 74 74 GLY HA2 H 74 4.112 4.268 -0.156 1
1 701 . 20 1 1 A 74 74 GLY HA3 H 74 4.177 4.302 -0.125 1
1 702 . 20 1 1 A 74 74 GLY C C 74 175.399 175.256 0.143 1
1 703 . 20 1 1 A 74 74 GLY CA C 74 45.825 45.498 0.327 1
1 704 . 20 1 1 A 74 74 GLY N N 74 108.672 111.776 -3.104 1
1 705 . 20 1 1 A 75 75 VAL H H 75 8.168 7.803 0.365 1
1 706 . 20 1 1 A 75 75 VAL HA H 75 3.881 3.834 0.047 1
1 714 . 20 1 1 A 75 75 VAL C C 75 176.466 175.788 0.678 1
1 715 . 20 1 1 A 75 75 VAL CA C 75 64.845 64.648 0.197 1
1 716 . 20 1 1 A 75 75 VAL CB C 75 32.811 31.569 1.242 1
1 719 . 20 1 1 A 75 75 VAL N N 75 119.832 118.889 0.943 1
1 720 . 20 1 1 A 76 76 PHE H H 76 8.138 7.400 0.738 1
1 721 . 20 1 1 A 76 76 PHE HA H 76 4.664 4.883 -0.219 1
1 729 . 20 1 1 A 76 76 PHE C C 76 176.775 174.443 2.332 1
1 730 . 20 1 1 A 76 76 PHE CA C 76 58.810 56.012 2.798 1
1 731 . 20 1 1 A 76 76 PHE CB C 76 39.177 41.071 -1.894 1
1 732 . 20 1 1 A 76 76 PHE N N 76 118.007 117.697 0.310 1
1 733 . 20 1 1 A 77 77 GLY H H 77 8.080 8.803 -0.723 1
1 734 . 20 1 1 A 77 77 GLY HA2 H 77 3.948 4.077 -0.129 1
1 735 . 20 1 1 A 77 77 GLY C C 77 175.581 174.454 1.127 1
1 736 . 20 1 1 A 77 77 GLY CA C 77 47.292 45.146 2.146 1
1 737 . 20 1 1 A 77 77 GLY N N 77 107.115 108.801 -1.686 1
1 738 . 20 1 1 A 78 78 GLY H H 78 8.136 7.997 0.139 1
1 739 . 20 1 1 A 78 78 GLY HA2 H 78 4.011 3.950 0.061 1
1 740 . 20 1 1 A 78 78 GLY C C 78 175.337 175.091 0.246 1
1 741 . 20 1 1 A 78 78 GLY CA C 78 46.315 45.396 0.919 1
1 742 . 20 1 1 A 78 78 GLY N N 78 108.462 107.912 0.550 1
1 743 . 20 1 1 A 79 79 LEU H H 79 7.641 7.595 0.046 1
1 744 . 20 1 1 A 79 79 LEU HA H 79 4.022 4.094 -0.072 1
1 753 . 20 1 1 A 79 79 LEU C C 79 177.256 178.327 -1.071 1
1 754 . 20 1 1 A 79 79 LEU CA C 79 57.813 56.983 0.830 1
1 755 . 20 1 1 A 79 79 LEU CB C 79 43.316 41.938 1.378 1
1 759 . 20 1 1 A 79 79 LEU N N 79 121.664 120.448 1.216 1
1 760 . 20 1 1 A 80 80 PHE H H 80 7.944 7.109 0.835 1
1 761 . 20 1 1 A 80 80 PHE HA H 80 4.633 4.814 -0.181 1
1 768 . 20 1 1 A 80 80 PHE C C 80 175.433 175.160 0.273 1
1 769 . 20 1 1 A 80 80 PHE CA C 80 58.208 57.021 1.187 1
1 770 . 20 1 1 A 80 80 PHE CB C 80 39.615 39.271 0.344 1
1 771 . 20 1 1 A 80 80 PHE N N 80 114.796 111.248 3.548 1
1 772 . 20 1 1 A 81 81 ALA H H 81 7.611 7.516 0.095 1
1 773 . 20 1 1 A 81 81 ALA HA H 81 4.364 4.479 -0.115 1
1 777 . 20 1 1 A 81 81 ALA C C 81 177.568 176.885 0.683 1
1 778 . 20 1 1 A 81 81 ALA CA C 81 52.989 51.148 1.841 1
1 779 . 20 1 1 A 81 81 ALA CB C 81 19.902 20.788 -0.886 1
1 780 . 20 1 1 A 81 81 ALA N N 81 122.618 122.658 -0.040 1
1 781 . 20 1 1 A 82 82 LYS H H 82 8.155 8.668 -0.513 1
1 782 . 20 1 1 A 82 82 LYS HA H 82 4.313 3.817 0.496 1
1 784 . 20 1 1 A 82 82 LYS C C 82 176.941 175.371 1.570 1
1 785 . 20 1 1 A 82 82 LYS CA C 82 57.023 56.910 0.113 1
1 786 . 20 1 1 A 82 82 LYS CB C 82 33.299 31.021 2.278 1
1 789 . 20 1 1 A 82 82 LYS N N 82 120.345 115.428 4.917 1
1 790 . 20 1 1 A 83 83 LYS H H 83 8.256 7.905 0.351 1
1 791 . 20 1 1 A 83 83 LYS HA H 83 4.378 4.383 -0.005 1
1 794 . 20 1 1 A 83 83 LYS CA C 83 56.618 56.261 0.357 1
1 795 . 20 1 1 A 83 83 LYS CB C 83 33.767 33.056 0.711 1
1 799 . 20 1 1 A 83 83 LYS N N 83 122.901 119.329 3.572 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 72 1.224 1
2 1 1 1 "RMS(OBS, PRED)" CA 82 1.541 1
3 1 1 1 "RMS(OBS, PRED)" CB 67 1.423 1
4 1 1 1 "RMS(OBS, PRED)" H 80 0.454 1
5 1 1 1 "RMS(OBS, PRED)" HA 82 0.271 1
6 1 1 1 "RMS(OBS, PRED)" N 80 2.975 1
7 1 2 1 "RMS(OBS, PRED)" C 72 1.126 1
8 1 2 1 "RMS(OBS, PRED)" CA 82 1.571 1
9 1 2 1 "RMS(OBS, PRED)" CB 67 1.764 1
10 1 2 1 "RMS(OBS, PRED)" H 80 0.426 1
11 1 2 1 "RMS(OBS, PRED)" HA 82 0.317 1
12 1 2 1 "RMS(OBS, PRED)" N 80 3.111 1
13 1 3 1 "RMS(OBS, PRED)" C 72 1.245 1
14 1 3 1 "RMS(OBS, PRED)" CA 82 1.631 1
15 1 3 1 "RMS(OBS, PRED)" CB 67 1.635 1
16 1 3 1 "RMS(OBS, PRED)" H 80 0.487 1
17 1 3 1 "RMS(OBS, PRED)" HA 82 0.337 1
18 1 3 1 "RMS(OBS, PRED)" N 80 2.995 1
19 1 4 1 "RMS(OBS, PRED)" C 72 1.127 1
20 1 4 1 "RMS(OBS, PRED)" CA 82 1.555 1
21 1 4 1 "RMS(OBS, PRED)" CB 67 1.519 1
22 1 4 1 "RMS(OBS, PRED)" H 80 0.503 1
23 1 4 1 "RMS(OBS, PRED)" HA 82 0.304 1
24 1 4 1 "RMS(OBS, PRED)" N 80 3.444 1
25 1 5 1 "RMS(OBS, PRED)" C 72 1.083 1
26 1 5 1 "RMS(OBS, PRED)" CA 82 1.387 1
27 1 5 1 "RMS(OBS, PRED)" CB 67 1.773 1
28 1 5 1 "RMS(OBS, PRED)" H 80 0.368 1
29 1 5 1 "RMS(OBS, PRED)" HA 82 0.325 1
30 1 5 1 "RMS(OBS, PRED)" N 80 3.256 1
31 1 6 1 "RMS(OBS, PRED)" C 72 1.223 1
32 1 6 1 "RMS(OBS, PRED)" CA 82 1.432 1
33 1 6 1 "RMS(OBS, PRED)" CB 67 1.447 1
34 1 6 1 "RMS(OBS, PRED)" H 80 0.444 1
35 1 6 1 "RMS(OBS, PRED)" HA 82 0.281 1
36 1 6 1 "RMS(OBS, PRED)" N 80 2.852 1
37 1 7 1 "RMS(OBS, PRED)" C 72 1.090 1
38 1 7 1 "RMS(OBS, PRED)" CA 82 1.563 1
39 1 7 1 "RMS(OBS, PRED)" CB 67 1.621 1
40 1 7 1 "RMS(OBS, PRED)" H 80 0.414 1
41 1 7 1 "RMS(OBS, PRED)" HA 82 0.286 1
42 1 7 1 "RMS(OBS, PRED)" N 80 3.534 1
43 1 8 1 "RMS(OBS, PRED)" C 72 1.193 1
44 1 8 1 "RMS(OBS, PRED)" CA 82 1.776 1
45 1 8 1 "RMS(OBS, PRED)" CB 67 1.619 1
46 1 8 1 "RMS(OBS, PRED)" H 80 0.470 1
47 1 8 1 "RMS(OBS, PRED)" HA 82 0.308 1
48 1 8 1 "RMS(OBS, PRED)" N 80 3.136 1
49 1 9 1 "RMS(OBS, PRED)" C 72 1.069 1
50 1 9 1 "RMS(OBS, PRED)" CA 82 1.464 1
51 1 9 1 "RMS(OBS, PRED)" CB 67 1.691 1
52 1 9 1 "RMS(OBS, PRED)" H 80 0.438 1
53 1 9 1 "RMS(OBS, PRED)" HA 82 0.305 1
54 1 9 1 "RMS(OBS, PRED)" N 80 3.074 1
55 1 10 1 "RMS(OBS, PRED)" C 72 1.026 1
56 1 10 1 "RMS(OBS, PRED)" CA 82 1.545 1
57 1 10 1 "RMS(OBS, PRED)" CB 67 1.520 1
58 1 10 1 "RMS(OBS, PRED)" H 80 0.413 1
59 1 10 1 "RMS(OBS, PRED)" HA 82 0.301 1
60 1 10 1 "RMS(OBS, PRED)" N 80 2.739 1
61 1 11 1 "RMS(OBS, PRED)" C 72 1.319 1
62 1 11 1 "RMS(OBS, PRED)" CA 82 1.613 1
63 1 11 1 "RMS(OBS, PRED)" CB 67 1.900 1
64 1 11 1 "RMS(OBS, PRED)" H 80 0.432 1
65 1 11 1 "RMS(OBS, PRED)" HA 82 0.337 1
66 1 11 1 "RMS(OBS, PRED)" N 80 3.256 1
67 1 12 1 "RMS(OBS, PRED)" C 72 0.995 1
68 1 12 1 "RMS(OBS, PRED)" CA 82 1.581 1
69 1 12 1 "RMS(OBS, PRED)" CB 67 1.733 1
70 1 12 1 "RMS(OBS, PRED)" H 80 0.498 1
71 1 12 1 "RMS(OBS, PRED)" HA 82 0.283 1
72 1 12 1 "RMS(OBS, PRED)" N 80 2.877 1
73 1 13 1 "RMS(OBS, PRED)" C 72 1.140 1
74 1 13 1 "RMS(OBS, PRED)" CA 82 1.607 1
75 1 13 1 "RMS(OBS, PRED)" CB 67 1.508 1
76 1 13 1 "RMS(OBS, PRED)" H 80 0.495 1
77 1 13 1 "RMS(OBS, PRED)" HA 82 0.338 1
78 1 13 1 "RMS(OBS, PRED)" N 80 3.078 1
79 1 14 1 "RMS(OBS, PRED)" C 72 1.076 1
80 1 14 1 "RMS(OBS, PRED)" CA 82 1.597 1
81 1 14 1 "RMS(OBS, PRED)" CB 67 1.510 1
82 1 14 1 "RMS(OBS, PRED)" H 80 0.408 1
83 1 14 1 "RMS(OBS, PRED)" HA 82 0.300 1
84 1 14 1 "RMS(OBS, PRED)" N 80 3.126 1
85 1 15 1 "RMS(OBS, PRED)" C 72 1.277 1
86 1 15 1 "RMS(OBS, PRED)" CA 82 1.616 1
87 1 15 1 "RMS(OBS, PRED)" CB 67 1.735 1
88 1 15 1 "RMS(OBS, PRED)" H 80 0.453 1
89 1 15 1 "RMS(OBS, PRED)" HA 82 0.321 1
90 1 15 1 "RMS(OBS, PRED)" N 80 3.007 1
91 1 16 1 "RMS(OBS, PRED)" C 72 1.293 1
92 1 16 1 "RMS(OBS, PRED)" CA 82 1.587 1
93 1 16 1 "RMS(OBS, PRED)" CB 67 1.785 1
94 1 16 1 "RMS(OBS, PRED)" H 80 0.456 1
95 1 16 1 "RMS(OBS, PRED)" HA 82 0.324 1
96 1 16 1 "RMS(OBS, PRED)" N 80 3.266 1
97 1 17 1 "RMS(OBS, PRED)" C 72 1.269 1
98 1 17 1 "RMS(OBS, PRED)" CA 82 1.567 1
99 1 17 1 "RMS(OBS, PRED)" CB 67 1.707 1
100 1 17 1 "RMS(OBS, PRED)" H 80 0.419 1
101 1 17 1 "RMS(OBS, PRED)" HA 82 0.314 1
102 1 17 1 "RMS(OBS, PRED)" N 80 2.573 1
103 1 18 1 "RMS(OBS, PRED)" C 72 1.171 1
104 1 18 1 "RMS(OBS, PRED)" CA 82 1.729 1
105 1 18 1 "RMS(OBS, PRED)" CB 67 1.573 1
106 1 18 1 "RMS(OBS, PRED)" H 80 0.443 1
107 1 18 1 "RMS(OBS, PRED)" HA 82 0.351 1
108 1 18 1 "RMS(OBS, PRED)" N 80 2.953 1
109 1 19 1 "RMS(OBS, PRED)" C 72 1.149 1
110 1 19 1 "RMS(OBS, PRED)" CA 82 1.550 1
111 1 19 1 "RMS(OBS, PRED)" CB 67 1.668 1
112 1 19 1 "RMS(OBS, PRED)" H 80 0.456 1
113 1 19 1 "RMS(OBS, PRED)" HA 82 0.290 1
114 1 19 1 "RMS(OBS, PRED)" N 80 2.733 1
115 1 20 1 "RMS(OBS, PRED)" C 72 1.190 1
116 1 20 1 "RMS(OBS, PRED)" CA 82 1.440 1
117 1 20 1 "RMS(OBS, PRED)" CB 67 1.785 1
118 1 20 1 "RMS(OBS, PRED)" H 80 0.425 1
119 1 20 1 "RMS(OBS, PRED)" HA 82 0.259 1
120 1 20 1 "RMS(OBS, PRED)" N 80 3.012 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 6 . 1 1 A 2 2 ALA H H 2 8.448 8.347 0.101 2
1 7 . 1 1 A 2 2 ALA HA H 2 4.314 4.552 -0.238 2
1 11 . 1 1 A 2 2 ALA C C 2 177.731 176.364 1.367 2
1 12 . 1 1 A 2 2 ALA CA C 2 53.711 52.033 1.678 2
1 13 . 1 1 A 2 2 ALA CB C 2 19.629 20.193 -0.564 2
1 14 . 1 1 A 2 2 ALA N N 2 125.995 124.054 1.941 2
1 15 . 1 1 A 3 3 ALA H H 3 8.148 8.293 -0.145 2
1 16 . 1 1 A 3 3 ALA HA H 3 4.292 4.641 -0.349 2
1 20 . 1 1 A 3 3 ALA C C 3 177.888 176.395 1.493 2
1 21 . 1 1 A 3 3 ALA CA C 3 53.439 51.922 1.517 2
1 22 . 1 1 A 3 3 ALA CB C 3 19.671 21.385 -1.714 2
1 23 . 1 1 A 3 3 ALA N N 3 121.767 121.415 0.352 2
1 24 . 1 1 A 4 4 LYS H H 4 8.047 8.655 -0.608 2
1 25 . 1 1 A 4 4 LYS HA H 4 4.314 4.549 -0.235 2
1 27 . 1 1 A 4 4 LYS C C 4 177.363 176.197 1.166 2
1 28 . 1 1 A 4 4 LYS CA C 4 57.279 56.117 1.162 2
1 29 . 1 1 A 4 4 LYS CB C 4 33.570 33.803 -0.233 2
1 33 . 1 1 A 4 4 LYS N N 4 119.233 119.354 -0.121 2
1 34 . 1 1 A 5 5 GLY H H 5 8.317 8.358 -0.041 2
1 35 . 1 1 A 5 5 GLY HA2 H 5 4.039 4.046 -0.007 2
1 36 . 1 1 A 5 5 GLY C C 5 174.706 173.888 0.818 2
1 37 . 1 1 A 5 5 GLY CA C 5 46.246 45.733 0.513 2
1 38 . 1 1 A 5 5 GLY N N 5 109.070 109.544 -0.474 2
1 39 . 1 1 A 6 6 THR H H 6 8.002 8.094 -0.092 2
1 40 . 1 1 A 6 6 THR HA H 6 4.357 4.398 -0.041 2
1 42 . 1 1 A 6 6 THR C C 6 174.839 175.035 -0.196 2
1 43 . 1 1 A 6 6 THR CA C 6 62.444 61.939 0.505 2
1 44 . 1 1 A 6 6 THR CB C 6 70.490 68.629 1.861 2
1 46 . 1 1 A 6 6 THR N N 6 112.809 113.306 -0.497 2
1 47 . 1 1 A 7 7 ALA H H 7 8.309 8.222 0.087 2
1 48 . 1 1 A 7 7 ALA HA H 7 4.322 4.264 0.058 2
1 52 . 1 1 A 7 7 ALA C C 7 178.032 177.752 0.280 2
1 53 . 1 1 A 7 7 ALA CA C 7 53.792 53.985 -0.193 2
1 54 . 1 1 A 7 7 ALA CB C 7 19.733 19.113 0.620 2
1 55 . 1 1 A 7 7 ALA N N 7 125.292 125.923 -0.631 2
1 56 . 1 1 A 8 8 GLU H H 8 8.358 7.902 0.456 2
1 57 . 1 1 A 8 8 GLU HA H 8 4.297 4.305 -0.008 2
1 59 . 1 1 A 8 8 GLU C C 8 176.936 175.692 1.244 2
1 60 . 1 1 A 8 8 GLU CA C 8 57.618 56.950 0.668 2
1 61 . 1 1 A 8 8 GLU CB C 8 30.792 29.867 0.925 2
1 63 . 1 1 A 8 8 GLU N N 8 118.943 116.265 2.678 2
1 64 . 1 1 A 9 9 THR H H 9 7.974 8.382 -0.408 2
1 65 . 1 1 A 9 9 THR HA H 9 4.365 4.490 -0.125 2
1 67 . 1 1 A 9 9 THR C C 9 174.629 173.643 0.986 2
1 68 . 1 1 A 9 9 THR CA C 9 62.617 62.099 0.518 2
1 69 . 1 1 A 9 9 THR CB C 9 70.422 69.170 1.252 2
1 71 . 1 1 A 9 9 THR N N 9 113.540 115.664 -2.124 2
1 72 . 1 1 A 10 10 LYS H H 10 8.242 8.241 0.001 2
1 73 . 1 1 A 10 10 LYS HA H 10 4.314 4.520 -0.206 2
1 75 . 1 1 A 10 10 LYS C C 10 176.513 175.292 1.221 2
1 76 . 1 1 A 10 10 LYS CA C 10 57.173 55.861 1.312 2
1 77 . 1 1 A 10 10 LYS CB C 10 33.511 33.460 0.051 2
1 81 . 1 1 A 10 10 LYS N N 10 123.339 123.888 -0.549 2
1 82 . 1 1 A 11 11 GLN H H 11 8.381 8.349 0.032 2
1 83 . 1 1 A 11 11 GLN HA H 11 4.322 4.662 -0.340 2
1 89 . 1 1 A 11 11 GLN C C 11 176.073 175.141 0.932 2
1 90 . 1 1 A 11 11 GLN CA C 11 56.689 55.342 1.347 2
1 91 . 1 1 A 11 11 GLN CB C 11 29.940 30.539 -0.599 2
1 93 . 1 1 A 11 11 GLN N N 11 120.885 120.260 0.625 2
1 95 . 1 1 A 12 12 GLU H H 12 8.407 8.608 -0.201 2
1 96 . 1 1 A 12 12 GLU HA H 12 4.304 4.642 -0.338 2
1 98 . 1 1 A 12 12 GLU C C 12 176.253 175.863 0.390 2
1 99 . 1 1 A 12 12 GLU CA C 12 57.536 56.324 1.212 2
1 100 . 1 1 A 12 12 GLU CB C 12 30.799 30.715 0.084 2
1 102 . 1 1 A 12 12 GLU N N 12 121.152 119.738 1.414 2
1 103 . 1 1 A 13 13 LYS H H 13 8.220 8.325 -0.105 2
1 104 . 1 1 A 13 13 LYS HA H 13 4.542 4.516 0.026 2
1 108 . 1 1 A 13 13 LYS C C 13 175.856 175.286 0.570 2
1 109 . 1 1 A 13 13 LYS CA C 13 56.335 56.043 0.292 2
1 110 . 1 1 A 13 13 LYS CB C 13 33.863 33.025 0.838 2
1 114 . 1 1 A 13 13 LYS N N 13 121.312 121.755 -0.443 2
1 115 . 1 1 A 14 14 SER H H 14 8.447 7.942 0.505 2
1 116 . 1 1 A 14 14 SER HA H 14 4.639 4.839 -0.200 2
1 119 . 1 1 A 14 14 SER C C 14 175.529 175.370 0.159 2
1 120 . 1 1 A 14 14 SER CA C 14 58.802 57.103 1.699 2
1 121 . 1 1 A 14 14 SER CB C 14 64.803 65.968 -1.165 2
1 122 . 1 1 A 14 14 SER N N 14 116.487 116.666 -0.179 2
1 123 . 1 1 A 15 15 PHE H H 15 8.802 9.172 -0.370 2
1 124 . 1 1 A 15 15 PHE HA H 15 4.448 4.271 0.177 2
1 129 . 1 1 A 15 15 PHE C C 15 176.935 177.523 -0.588 2
1 130 . 1 1 A 15 15 PHE CA C 15 62.188 60.825 1.363 2
1 131 . 1 1 A 15 15 PHE CB C 15 39.721 38.329 1.392 2
1 132 . 1 1 A 15 15 PHE N N 15 124.339 122.791 1.548 2
1 133 . 1 1 A 16 16 VAL H H 16 8.025 7.552 0.473 2
1 134 . 1 1 A 16 16 VAL HA H 16 3.490 3.547 -0.057 2
1 142 . 1 1 A 16 16 VAL C C 16 177.123 177.262 -0.139 2
1 143 . 1 1 A 16 16 VAL CA C 16 67.959 64.688 3.271 2
1 144 . 1 1 A 16 16 VAL CB C 16 32.250 30.826 1.425 2
1 147 . 1 1 A 16 16 VAL N N 16 118.329 120.696 -2.367 2
1 148 . 1 1 A 17 17 ASP H H 17 7.926 8.105 -0.179 2
1 149 . 1 1 A 17 17 ASP HA H 17 4.354 4.305 0.049 2
1 152 . 1 1 A 17 17 ASP C C 17 179.625 178.317 1.308 2
1 153 . 1 1 A 17 17 ASP CA C 17 58.204 57.251 0.953 2
1 154 . 1 1 A 17 17 ASP CB C 17 41.324 41.243 0.081 2
1 155 . 1 1 A 17 17 ASP N N 17 118.753 121.129 -2.376 2
1 156 . 1 1 A 18 18 TRP H H 18 8.174 7.842 0.332 2
1 157 . 1 1 A 18 18 TRP HA H 18 4.111 4.347 -0.236 2
1 163 . 1 1 A 18 18 TRP CA C 18 62.194 60.723 1.471 2
1 164 . 1 1 A 18 18 TRP CB C 18 29.150 29.606 -0.456 2
1 165 . 1 1 A 18 18 TRP N N 18 122.311 121.697 0.614 2
1 167 . 1 1 A 19 19 LEU H H 19 8.517 8.689 -0.172 2
1 168 . 1 1 A 19 19 LEU HA H 19 3.447 3.891 -0.444 2
1 178 . 1 1 A 19 19 LEU C C 19 179.115 178.919 0.196 2
1 179 . 1 1 A 19 19 LEU CA C 19 58.630 58.347 0.283 2
1 180 . 1 1 A 19 19 LEU CB C 19 42.676 41.997 0.679 2
1 184 . 1 1 A 19 19 LEU N N 19 120.943 121.231 -0.288 2
1 185 . 1 1 A 20 20 LEU H H 20 8.713 8.587 0.126 2
1 186 . 1 1 A 20 20 LEU HA H 20 3.972 4.012 -0.040 2
1 196 . 1 1 A 20 20 LEU C C 20 180.266 178.757 1.509 2
1 197 . 1 1 A 20 20 LEU CA C 20 58.318 57.694 0.624 2
1 198 . 1 1 A 20 20 LEU CB C 20 41.655 41.665 -0.010 2
1 202 . 1 1 A 20 20 LEU N N 20 117.598 119.445 -1.847 2
1 203 . 1 1 A 21 21 GLY H H 21 7.783 8.249 -0.466 2
1 204 . 1 1 A 21 21 GLY HA2 H 21 3.829 3.770 0.059 2
1 205 . 1 1 A 21 21 GLY C C 21 175.390 175.453 -0.063 2
1 206 . 1 1 A 21 21 GLY CA C 21 46.978 46.737 0.241 2
1 207 . 1 1 A 21 21 GLY N N 21 106.102 107.155 -1.053 2
1 208 . 1 1 A 22 22 LYS H H 22 7.443 7.891 -0.448 2
1 209 . 1 1 A 22 22 LYS HA H 22 4.090 4.124 -0.034 2
1 217 . 1 1 A 22 22 LYS C C 22 177.806 178.426 -0.620 2
1 218 . 1 1 A 22 22 LYS CA C 22 56.974 58.800 -1.826 2
1 219 . 1 1 A 22 22 LYS CB C 22 32.718 32.399 0.319 2
1 223 . 1 1 A 22 22 LYS N N 22 118.883 120.963 -2.080 2
1 224 . 1 1 A 23 23 ILE H H 23 7.550 7.580 -0.030 2
1 225 . 1 1 A 23 23 ILE HA H 23 4.165 3.992 0.173 2
1 235 . 1 1 A 23 23 ILE C C 23 175.996 176.888 -0.892 2
1 236 . 1 1 A 23 23 ILE CA C 23 62.916 63.192 -0.276 2
1 237 . 1 1 A 23 23 ILE CB C 23 39.444 38.347 1.097 2
1 241 . 1 1 A 23 23 ILE N N 23 114.457 118.657 -4.200 2
1 242 . 1 1 A 24 24 THR H H 24 7.778 7.914 -0.136 2
1 243 . 1 1 A 24 24 THR HA H 24 4.379 4.255 0.124 2
1 248 . 1 1 A 24 24 THR C C 24 174.616 174.368 0.248 2
1 249 . 1 1 A 24 24 THR CA C 24 62.699 62.895 -0.196 2
1 250 . 1 1 A 24 24 THR CB C 24 70.567 68.371 2.196 2
1 252 . 1 1 A 24 24 THR N N 24 113.224 113.255 -0.031 2
1 253 . 1 1 A 25 25 LYS H H 25 7.956 7.833 0.123 2
1 259 . 1 1 A 25 25 LYS CA C 25 56.696 56.920 -0.224 2
1 260 . 1 1 A 25 25 LYS CB C 25 33.428 32.668 0.760 2
1 262 . 1 1 A 25 25 LYS N N 25 122.468 119.333 3.135 2
1 263 . 1 1 A 26 26 GLU H H 26 8.392 8.515 -0.123 2
1 264 . 1 1 A 26 26 GLU HA H 26 4.230 4.389 -0.159 2
1 268 . 1 1 A 26 26 GLU C C 26 176.320 175.733 0.587 2
1 269 . 1 1 A 26 26 GLU CA C 26 57.616 56.837 0.779 2
1 270 . 1 1 A 26 26 GLU CB C 26 30.854 30.078 0.776 2
1 272 . 1 1 A 26 26 GLU N N 26 121.068 119.672 1.396 2
1 273 . 1 1 A 27 27 ASP H H 27 8.299 7.984 0.315 2
1 274 . 1 1 A 27 27 ASP HA H 27 4.496 4.591 -0.095 2
1 276 . 1 1 A 27 27 ASP C C 27 175.931 175.410 0.521 2
1 277 . 1 1 A 27 27 ASP CA C 27 55.161 54.388 0.773 2
1 278 . 1 1 A 27 27 ASP CB C 27 41.532 41.546 -0.014 2
1 279 . 1 1 A 27 27 ASP N N 27 119.412 118.684 0.728 2
1 280 . 1 1 A 28 28 GLN H H 28 8.108 8.275 -0.167 2
1 281 . 1 1 A 28 28 GLN HA H 28 4.215 4.489 -0.275 2
1 286 . 1 1 A 28 28 GLN C C 28 175.845 175.711 0.134 2
1 287 . 1 1 A 28 28 GLN CA C 28 56.559 56.247 0.312 2
1 288 . 1 1 A 28 28 GLN CB C 28 30.105 29.939 0.166 2
1 290 . 1 1 A 28 28 GLN N N 28 119.037 118.613 0.424 2
1 292 . 1 1 A 29 29 PHE H H 29 8.235 8.297 -0.062 2
1 293 . 1 1 A 29 29 PHE HA H 29 4.514 4.711 -0.197 2
1 299 . 1 1 A 29 29 PHE C C 29 175.361 174.716 0.645 2
1 300 . 1 1 A 29 29 PHE CA C 29 58.810 57.621 1.189 2
1 301 . 1 1 A 29 29 PHE CB C 29 40.000 39.875 0.125 2
1 302 . 1 1 A 29 29 PHE N N 29 120.622 118.495 2.127 2
1 303 . 1 1 A 30 30 TYR H H 30 7.715 7.714 0.001 2
1 304 . 1 1 A 30 30 TYR HA H 30 4.508 4.643 -0.135 2
1 310 . 1 1 A 30 30 TYR C C 30 175.416 175.570 -0.154 2
1 311 . 1 1 A 30 30 TYR CA C 30 58.544 57.466 1.078 2
1 312 . 1 1 A 30 30 TYR CB C 30 39.613 39.840 -0.227 2
1 313 . 1 1 A 30 30 TYR N N 30 119.864 119.316 0.548 2
1 314 . 1 1 A 31 31 GLU H H 31 8.187 8.721 -0.534 2
1 315 . 1 1 A 31 31 GLU HA H 31 4.293 4.394 -0.101 2
1 319 . 1 1 A 31 31 GLU C C 31 176.148 177.018 -0.870 2
1 320 . 1 1 A 31 31 GLU CA C 31 57.172 56.874 0.298 2
1 321 . 1 1 A 31 31 GLU CB C 31 30.845 30.252 0.593 2
1 323 . 1 1 A 31 31 GLU N N 31 121.546 119.692 1.854 2
1 324 . 1 1 A 32 32 THR H H 32 7.864 8.063 -0.199 2
1 325 . 1 1 A 32 32 THR HA H 32 4.359 4.320 0.039 2
1 330 . 1 1 A 32 32 THR C C 32 173.970 173.948 0.022 2
1 331 . 1 1 A 32 32 THR CA C 32 62.043 62.943 -0.900 2
1 332 . 1 1 A 32 32 THR CB C 32 70.721 68.850 1.871 2
1 334 . 1 1 A 32 32 THR N N 32 113.695 113.130 0.565 2
1 335 . 1 1 A 33 33 ASP H H 33 8.317 8.040 0.277 2
1 336 . 1 1 A 33 33 ASP HA H 33 4.880 4.710 0.170 2
1 339 . 1 1 A 33 33 ASP CA C 33 53.661 53.344 0.317 2
1 340 . 1 1 A 33 33 ASP CB C 33 41.474 40.423 1.051 2
1 341 . 1 1 A 33 33 ASP N N 33 123.601 120.658 2.943 2
1 342 . 1 1 A 34 34 PRO HA H 34 4.408 4.617 -0.209 2
1 348 . 1 1 A 34 34 PRO C C 34 174.420 176.286 -1.866 2
1 349 . 1 1 A 34 34 PRO CA C 34 64.164 62.652 1.512 2
1 350 . 1 1 A 34 34 PRO CB C 34 32.774 30.942 1.832 2
1 353 . 1 1 A 35 35 ILE H H 35 8.143 8.141 0.002 2
1 354 . 1 1 A 35 35 ILE HA H 35 4.046 4.804 -0.758 2
1 364 . 1 1 A 35 35 ILE C C 35 176.474 175.510 0.964 2
1 365 . 1 1 A 35 35 ILE CA C 35 62.937 59.613 3.324 2
1 366 . 1 1 A 35 35 ILE CB C 35 39.275 41.072 -1.797 2
1 370 . 1 1 A 35 35 ILE N N 35 120.322 118.298 2.024 2
1 371 . 1 1 A 36 36 LEU H H 36 7.975 8.433 -0.458 2
1 372 . 1 1 A 36 36 LEU HA H 36 4.398 4.423 -0.025 2
1 381 . 1 1 A 36 36 LEU C C 36 177.299 177.637 -0.338 2
1 382 . 1 1 A 36 36 LEU CA C 36 56.022 55.819 0.203 2
1 383 . 1 1 A 36 36 LEU CB C 36 42.837 42.536 0.301 2
1 387 . 1 1 A 36 36 LEU N N 36 121.023 122.423 -1.400 2
1 388 . 1 1 A 37 37 ARG H H 37 7.932 8.217 -0.285 2
1 389 . 1 1 A 37 37 ARG HA H 37 4.345 4.391 -0.046 2
1 395 . 1 1 A 37 37 ARG C C 37 176.869 177.245 -0.376 2
1 396 . 1 1 A 37 37 ARG CA C 37 56.912 56.529 0.383 2
1 397 . 1 1 A 37 37 ARG CB C 37 31.127 31.000 0.127 2
1 400 . 1 1 A 37 37 ARG N N 37 118.673 117.909 0.764 2
1 402 . 1 1 A 38 38 GLY H H 38 8.271 8.006 0.265 2
1 403 . 1 1 A 38 38 GLY HA2 H 38 3.986 3.970 0.016 2
1 404 . 1 1 A 38 38 GLY C C 38 174.864 174.835 0.029 2
1 405 . 1 1 A 38 38 GLY CA C 38 46.258 45.743 0.515 2
1 406 . 1 1 A 38 38 GLY N N 38 108.377 108.076 0.301 2
1 407 . 1 1 A 39 39 GLY H H 39 8.218 8.113 0.105 2
1 408 . 1 1 A 39 39 GLY HA2 H 39 3.998 4.007 -0.009 2
1 409 . 1 1 A 39 39 GLY C C 39 174.158 173.455 0.703 2
1 410 . 1 1 A 39 39 GLY CA C 39 46.187 45.717 0.470 2
1 411 . 1 1 A 39 39 GLY N N 39 108.485 108.174 0.311 2
1 412 . 1 1 A 40 40 ASP H H 40 8.274 8.425 -0.151 2
1 413 . 1 1 A 40 40 ASP HA H 40 4.699 4.746 -0.047 2
1 415 . 1 1 A 40 40 ASP C C 40 176.791 176.367 0.424 2
1 416 . 1 1 A 40 40 ASP CA C 40 55.105 54.547 0.558 2
1 417 . 1 1 A 40 40 ASP CB C 40 41.715 41.628 0.087 2
1 418 . 1 1 A 40 40 ASP N N 40 120.261 120.395 -0.134 2
1 419 . 1 1 A 41 41 VAL H H 41 8.071 8.199 -0.128 2
1 420 . 1 1 A 41 41 VAL HA H 41 3.993 3.860 0.133 2
1 425 . 1 1 A 41 41 VAL C C 41 176.869 176.058 0.811 2
1 426 . 1 1 A 41 41 VAL CA C 41 64.502 65.012 -0.510 2
1 427 . 1 1 A 41 41 VAL CB C 41 32.773 32.176 0.597 2
1 429 . 1 1 A 41 41 VAL N N 41 120.111 121.302 -1.191 2
1 430 . 1 1 A 42 42 LYS H H 42 8.213 7.732 0.481 2
1 431 . 1 1 A 42 42 LYS HA H 42 4.299 4.269 0.030 2
1 434 . 1 1 A 42 42 LYS C C 42 177.041 175.913 1.128 2
1 435 . 1 1 A 42 42 LYS CA C 42 57.639 56.911 0.728 2
1 436 . 1 1 A 42 42 LYS CB C 42 33.227 32.051 1.175 2
1 440 . 1 1 A 42 42 LYS N N 42 121.557 121.128 0.429 2
1 441 . 1 1 A 43 43 SER H H 43 8.126 8.361 -0.235 2
1 442 . 1 1 A 43 43 SER HA H 43 4.452 4.718 -0.266 2
1 444 . 1 1 A 43 43 SER C C 43 175.085 173.932 1.153 2
1 445 . 1 1 A 43 43 SER CA C 43 59.403 58.289 1.114 2
1 446 . 1 1 A 43 43 SER CB C 43 64.208 64.647 -0.439 2
1 447 . 1 1 A 43 43 SER N N 43 115.295 117.119 -1.824 2
1 448 . 1 1 A 44 44 SER H H 44 8.251 8.430 -0.179 2
1 449 . 1 1 A 44 44 SER HA H 44 4.479 4.662 -0.183 2
1 451 . 1 1 A 44 44 SER C C 44 175.331 173.889 1.442 2
1 452 . 1 1 A 44 44 SER CA C 44 59.701 58.531 1.170 2
1 453 . 1 1 A 44 44 SER CB C 44 64.453 64.717 -0.264 2
1 454 . 1 1 A 44 44 SER N N 44 117.357 116.718 0.639 2
1 455 . 1 1 A 45 45 GLY H H 45 8.401 8.136 0.265 2
1 456 . 1 1 A 45 45 GLY HA2 H 45 4.030 4.137 -0.107 2
1 457 . 1 1 A 45 45 GLY C C 45 174.472 173.183 1.289 2
1 458 . 1 1 A 45 45 GLY CA C 45 46.258 45.069 1.189 2
1 459 . 1 1 A 45 45 GLY N N 45 110.523 109.095 1.428 2
1 460 . 1 1 A 46 46 SER H H 46 8.177 8.560 -0.383 2
1 461 . 1 1 A 46 46 SER HA H 46 4.536 4.694 -0.158 2
1 463 . 1 1 A 46 46 SER C C 46 175.206 173.806 1.400 2
1 464 . 1 1 A 46 46 SER CA C 46 59.244 58.841 0.403 2
1 465 . 1 1 A 46 46 SER CB C 46 64.484 64.542 -0.058 2
1 466 . 1 1 A 46 46 SER N N 46 115.297 115.506 -0.209 2
1 467 . 1 1 A 47 47 THR H H 47 8.198 8.342 -0.144 2
1 468 . 1 1 A 47 47 THR HA H 47 4.432 4.567 -0.136 2
1 470 . 1 1 A 47 47 THR C C 47 174.939 173.568 1.371 2
1 471 . 1 1 A 47 47 THR CA C 47 62.746 61.938 0.808 2
1 472 . 1 1 A 47 47 THR CB C 47 70.246 69.870 0.376 2
1 474 . 1 1 A 47 47 THR N N 47 114.635 115.269 -0.634 2
1 475 . 1 1 A 48 48 SER H H 48 8.228 8.432 -0.204 2
1 476 . 1 1 A 48 48 SER HA H 48 4.473 4.761 -0.288 2
1 478 . 1 1 A 48 48 SER C C 48 175.241 173.652 1.589 2
1 479 . 1 1 A 48 48 SER CA C 48 59.480 57.668 1.812 2
1 480 . 1 1 A 48 48 SER CB C 48 64.429 64.801 -0.372 2
1 481 . 1 1 A 48 48 SER N N 48 117.146 116.785 0.361 2
1 482 . 1 1 A 49 49 GLY H H 49 8.342 8.461 -0.119 2
1 483 . 1 1 A 49 49 GLY HA2 H 49 4.048 4.137 -0.089 2
1 484 . 1 1 A 49 49 GLY C C 49 174.776 174.682 0.094 2
1 485 . 1 1 A 49 49 GLY CA C 49 46.233 45.670 0.563 2
1 486 . 1 1 A 49 49 GLY N N 49 110.627 109.610 1.017 2
1 487 . 1 1 A 50 50 LYS H H 50 8.124 8.207 -0.083 2
1 488 . 1 1 A 50 50 LYS HA H 50 4.302 4.373 -0.071 2
1 490 . 1 1 A 50 50 LYS C C 50 176.932 176.377 0.555 2
1 491 . 1 1 A 50 50 LYS CA C 50 57.333 57.151 0.182 2
1 492 . 1 1 A 50 50 LYS CB C 50 33.497 33.404 0.093 2
1 496 . 1 1 A 50 50 LYS N N 50 120.037 120.458 -0.421 2
1 497 . 1 1 A 51 51 LYS H H 51 8.089 7.776 0.313 2
1 498 . 1 1 A 51 51 LYS HA H 51 4.325 4.470 -0.145 2
1 500 . 1 1 A 51 51 LYS C C 51 177.169 176.000 1.169 2
1 501 . 1 1 A 51 51 LYS CA C 51 57.251 56.123 1.128 2
1 502 . 1 1 A 51 51 LYS CB C 51 33.293 33.651 -0.358 2
1 506 . 1 1 A 51 51 LYS N N 51 120.805 117.424 3.381 2
1 507 . 1 1 A 52 52 GLY H H 52 8.304 8.531 -0.227 2
1 508 . 1 1 A 52 52 GLY HA2 H 52 4.005 4.042 -0.037 2
1 509 . 1 1 A 52 52 GLY C C 52 174.545 174.329 0.216 2
1 510 . 1 1 A 52 52 GLY CA C 52 46.250 46.042 0.208 2
1 511 . 1 1 A 52 52 GLY N N 52 109.109 109.256 -0.147 2
1 512 . 1 1 A 53 53 GLY H H 53 8.201 8.257 -0.056 2
1 513 . 1 1 A 53 53 GLY HA2 H 53 4.051 4.050 0.001 2
1 514 . 1 1 A 53 53 GLY C C 53 174.771 173.662 1.109 2
1 515 . 1 1 A 53 53 GLY CA C 53 46.204 45.628 0.576 2
1 516 . 1 1 A 53 53 GLY N N 53 108.474 108.585 -0.111 2
1 517 . 1 1 A 54 54 THR H H 54 8.115 8.246 -0.132 2
1 518 . 1 1 A 54 54 THR HA H 54 4.442 4.673 -0.231 2
1 522 . 1 1 A 54 54 THR C C 54 175.190 174.020 1.170 2
1 523 . 1 1 A 54 54 THR CA C 54 62.904 61.385 1.519 2
1 524 . 1 1 A 54 54 THR CB C 54 70.261 69.676 0.585 2
1 525 . 1 1 A 54 54 THR N N 54 113.386 113.198 0.188 2
1 526 . 1 1 A 55 55 THR H H 55 8.158 8.498 -0.340 2
1 527 . 1 1 A 55 55 THR HA H 55 4.452 4.476 -0.024 2
1 531 . 1 1 A 55 55 THR C C 55 175.050 174.149 0.901 2
1 532 . 1 1 A 55 55 THR CA C 55 62.740 62.480 0.260 2
1 533 . 1 1 A 55 55 THR CB C 55 70.171 69.735 0.436 2
1 535 . 1 1 A 55 55 THR N N 55 114.825 117.792 -2.967 2
1 536 . 1 1 A 56 56 SER H H 56 8.233 8.246 -0.013 2
1 537 . 1 1 A 56 56 SER HA H 56 4.484 4.531 -0.047 2
1 539 . 1 1 A 56 56 SER C C 56 175.314 174.314 1.000 2
1 540 . 1 1 A 56 56 SER CA C 56 59.419 58.578 0.841 2
1 541 . 1 1 A 56 56 SER CB C 56 64.576 63.868 0.708 2
1 542 . 1 1 A 56 56 SER N N 56 117.144 117.035 0.109 2
1 543 . 1 1 A 57 57 GLY H H 57 8.340 8.429 -0.089 2
1 544 . 1 1 A 57 57 GLY HA2 H 57 4.043 4.042 0.001 2
1 545 . 1 1 A 57 57 GLY C C 57 176.801 174.359 2.442 2
1 546 . 1 1 A 57 57 GLY CA C 57 45.927 45.608 0.319 2
1 547 . 1 1 A 57 57 GLY N N 57 110.613 111.561 -0.948 2
1 548 . 1 1 A 58 58 LYS H H 58 8.125 8.239 -0.114 2
1 549 . 1 1 A 58 58 LYS HA H 58 4.313 4.245 0.068 2
1 554 . 1 1 A 58 58 LYS C C 58 176.220 176.142 0.078 2
1 555 . 1 1 A 58 58 LYS CA C 58 57.524 56.985 0.539 2
1 556 . 1 1 A 58 58 LYS CB C 58 33.485 32.637 0.848 2
1 560 . 1 1 A 58 58 LYS N N 58 120.526 118.941 1.585 2
1 561 . 1 1 A 59 59 LYS H H 59 8.227 8.446 -0.219 2
1 562 . 1 1 A 59 59 LYS HA H 59 4.202 4.387 -0.185 2
1 567 . 1 1 A 59 59 LYS C C 59 177.075 177.099 -0.024 2
1 568 . 1 1 A 59 59 LYS CA C 59 58.240 56.514 1.726 2
1 569 . 1 1 A 59 59 LYS CB C 59 33.354 32.717 0.637 2
1 573 . 1 1 A 59 59 LYS N N 59 121.098 120.390 0.708 2
1 574 . 1 1 A 60 60 GLY H H 60 8.337 8.288 0.049 2
1 575 . 1 1 A 60 60 GLY HA2 H 60 4.047 3.943 0.104 2
1 576 . 1 1 A 60 60 GLY C C 60 174.631 174.540 0.091 2
1 577 . 1 1 A 60 60 GLY CA C 60 46.282 45.830 0.452 2
1 578 . 1 1 A 60 60 GLY N N 60 109.436 108.986 0.450 2
1 579 . 1 1 A 61 61 THR H H 61 7.947 7.897 0.050 2
1 580 . 1 1 A 61 61 THR HA H 61 4.396 4.580 -0.184 2
1 585 . 1 1 A 61 61 THR C C 61 174.470 175.462 -0.992 2
1 586 . 1 1 A 61 61 THR CA C 61 62.795 62.292 0.503 2
1 587 . 1 1 A 61 61 THR CB C 61 70.637 70.125 0.512 2
1 589 . 1 1 A 61 61 THR N N 61 112.095 113.394 -1.299 2
1 590 . 1 1 A 62 62 VAL H H 62 7.788 7.979 -0.191 2
1 591 . 1 1 A 62 62 VAL HA H 62 4.243 4.373 -0.130 2
1 596 . 1 1 A 62 62 VAL CA C 62 62.733 63.264 -0.531 2
1 597 . 1 1 A 62 62 VAL CB C 62 33.693 33.801 -0.108 2
1 599 . 1 1 A 62 62 VAL N N 62 120.973 121.198 -0.225 2
1 600 . 1 1 A 63 63 SER H H 63 8.052 8.006 0.046 2
1 601 . 1 1 A 63 63 SER HA H 63 4.665 4.399 0.267 2
1 604 . 1 1 A 63 63 SER CA C 63 57.747 59.886 -2.139 2
1 605 . 1 1 A 63 63 SER CB C 63 64.991 62.998 1.993 2
1 606 . 1 1 A 63 63 SER N N 63 119.427 116.068 3.359 2
1 607 . 1 1 A 64 64 ILE H H 64 8.191 7.553 0.638 2
1 608 . 1 1 A 64 64 ILE HA H 64 4.313 4.594 -0.281 2
1 617 . 1 1 A 64 64 ILE CA C 64 59.873 58.658 1.215 2
1 618 . 1 1 A 64 64 ILE CB C 64 38.818 39.070 -0.252 2
1 621 . 1 1 A 64 64 ILE N N 64 122.947 118.830 4.117 2
1 622 . 1 1 A 65 65 PRO HA H 65 4.466 4.417 0.049 2
1 628 . 1 1 A 65 65 PRO CA C 65 64.303 64.081 0.222 2
1 629 . 1 1 A 65 65 PRO CB C 65 32.672 31.472 1.200 2
1 632 . 1 1 A 66 66 SER H H 66 8.002 8.141 -0.139 2
1 633 . 1 1 A 66 66 SER HA H 66 4.498 4.160 0.338 2
1 635 . 1 1 A 66 66 SER CA C 66 58.702 60.028 -1.326 2
1 636 . 1 1 A 66 66 SER CB C 66 64.819 62.341 2.478 2
1 637 . 1 1 A 66 66 SER N N 66 112.889 114.202 -1.313 2
1 638 . 1 1 A 67 67 LYS H H 67 8.137 8.125 0.012 2
1 639 . 1 1 A 67 67 LYS HA H 67 4.347 4.437 -0.090 2
1 641 . 1 1 A 67 67 LYS C C 67 176.555 175.969 0.586 2
1 642 . 1 1 A 67 67 LYS CA C 67 57.061 56.450 0.611 2
1 643 . 1 1 A 67 67 LYS CB C 67 33.669 33.450 0.219 2
1 647 . 1 1 A 67 67 LYS N N 67 122.114 119.692 2.422 2
1 648 . 1 1 A 68 68 LYS H H 68 8.118 8.138 -0.020 2
1 649 . 1 1 A 68 68 LYS HA H 68 4.322 4.277 0.045 2
1 651 . 1 1 A 68 68 LYS C C 68 176.446 176.418 0.028 2
1 652 . 1 1 A 68 68 LYS CA C 68 57.043 56.863 0.180 2
1 653 . 1 1 A 68 68 LYS CB C 68 33.531 32.807 0.724 2
1 657 . 1 1 A 68 68 LYS N N 68 121.435 120.595 0.840 2
1 658 . 1 1 A 69 69 LYS H H 69 8.394 8.279 0.115 2
1 659 . 1 1 A 69 69 LYS HA H 69 4.351 4.276 0.075 2
1 663 . 1 1 A 69 69 LYS C C 69 175.623 176.171 -0.548 2
1 664 . 1 1 A 69 69 LYS CA C 69 56.762 57.185 -0.423 2
1 665 . 1 1 A 69 69 LYS CB C 69 33.782 32.685 1.097 2
1 669 . 1 1 A 69 69 LYS N N 69 121.052 121.163 -0.111 2
1 670 . 1 1 A 70 70 ASN H H 70 8.014 8.389 -0.375 2
1 671 . 1 1 A 70 70 ASN HA H 70 4.515 4.749 -0.234 2
1 675 . 1 1 A 70 70 ASN CA C 70 55.331 53.939 1.392 2
1 676 . 1 1 A 70 70 ASN CB C 70 41.478 39.031 2.447 2
1 677 . 1 1 A 70 70 ASN N N 70 125.005 118.234 6.771 2
1 679 . 1 1 A 71 71 GLY H H 71 8.255 8.211 0.044 2
1 680 . 1 1 A 71 71 GLY HA2 H 71 3.986 4.108 -0.122 2
1 681 . 1 1 A 71 71 GLY C C 71 174.458 173.376 1.082 2
1 682 . 1 1 A 71 71 GLY CA C 71 46.110 45.504 0.606 2
1 683 . 1 1 A 71 71 GLY N N 71 114.247 107.900 6.347 2
1 684 . 1 1 A 72 72 ASN H H 72 8.462 8.539 -0.077 2
1 685 . 1 1 A 72 72 ASN HA H 72 4.796 4.993 -0.197 2
1 689 . 1 1 A 72 72 ASN C C 72 175.757 175.047 0.710 2
1 690 . 1 1 A 72 72 ASN CA C 72 53.882 53.196 0.686 2
1 691 . 1 1 A 72 72 ASN CB C 72 39.885 39.927 -0.042 2
1 692 . 1 1 A 72 72 ASN N N 72 118.314 118.974 -0.660 2
1 694 . 1 1 A 73 73 GLY H H 73 8.469 8.197 0.272 2
1 695 . 1 1 A 73 73 GLY HA2 H 73 3.968 4.065 -0.097 2
1 696 . 1 1 A 73 73 GLY C C 73 174.791 173.597 1.194 2
1 697 . 1 1 A 73 73 GLY CA C 73 46.247 45.137 1.110 2
1 698 . 1 1 A 73 73 GLY N N 73 109.019 108.195 0.824 2
1 699 . 1 1 A 74 74 GLY H H 74 7.946 8.334 -0.388 2
1 700 . 1 1 A 74 74 GLY HA2 H 74 4.112 4.083 0.029 2
1 701 . 1 1 A 74 74 GLY HA3 H 74 4.177 4.129 0.048 2
1 702 . 1 1 A 74 74 GLY C C 74 175.399 174.765 0.634 2
1 703 . 1 1 A 74 74 GLY CA C 74 45.825 45.176 0.649 2
1 704 . 1 1 A 74 74 GLY N N 74 108.672 109.654 -0.982 2
1 705 . 1 1 A 75 75 VAL H H 75 8.168 8.405 -0.237 2
1 706 . 1 1 A 75 75 VAL HA H 75 3.881 3.936 -0.055 2
1 714 . 1 1 A 75 75 VAL C C 75 176.466 176.190 0.276 2
1 715 . 1 1 A 75 75 VAL CA C 75 64.845 64.042 0.803 2
1 716 . 1 1 A 75 75 VAL CB C 75 32.811 32.237 0.574 2
1 719 . 1 1 A 75 75 VAL N N 75 119.832 121.333 -1.501 2
1 720 . 1 1 A 76 76 PHE H H 76 8.138 7.677 0.461 2
1 721 . 1 1 A 76 76 PHE HA H 76 4.664 4.742 -0.078 2
1 729 . 1 1 A 76 76 PHE C C 76 176.775 176.089 0.686 2
1 730 . 1 1 A 76 76 PHE CA C 76 58.810 57.707 1.103 2
1 731 . 1 1 A 76 76 PHE CB C 76 39.177 41.090 -1.913 2
1 732 . 1 1 A 76 76 PHE N N 76 118.007 118.005 0.002 2
1 733 . 1 1 A 77 77 GLY H H 77 8.080 8.588 -0.508 2
1 734 . 1 1 A 77 77 GLY HA2 H 77 3.948 3.992 -0.044 2
1 735 . 1 1 A 77 77 GLY C C 77 175.581 174.973 0.608 2
1 736 . 1 1 A 77 77 GLY CA C 77 47.292 46.062 1.230 2
1 737 . 1 1 A 77 77 GLY N N 77 107.115 108.778 -1.663 2
1 738 . 1 1 A 78 78 GLY H H 78 8.136 8.195 -0.059 2
1 739 . 1 1 A 78 78 GLY HA2 H 78 4.011 4.007 0.004 2
1 740 . 1 1 A 78 78 GLY C C 78 175.337 175.005 0.332 2
1 741 . 1 1 A 78 78 GLY CA C 78 46.315 45.675 0.641 2
1 742 . 1 1 A 78 78 GLY N N 78 108.462 107.381 1.081 2
1 743 . 1 1 A 79 79 LEU H H 79 7.641 7.853 -0.212 2
1 744 . 1 1 A 79 79 LEU HA H 79 4.022 4.253 -0.231 2
1 753 . 1 1 A 79 79 LEU C C 79 177.256 178.133 -0.877 2
1 754 . 1 1 A 79 79 LEU CA C 79 57.813 56.727 1.086 2
1 755 . 1 1 A 79 79 LEU CB C 79 43.316 42.576 0.740 2
1 759 . 1 1 A 79 79 LEU N N 79 121.664 120.713 0.951 2
1 760 . 1 1 A 80 80 PHE H H 80 7.944 7.725 0.219 2
1 761 . 1 1 A 80 80 PHE HA H 80 4.633 4.583 0.050 2
1 768 . 1 1 A 80 80 PHE C C 80 175.433 175.783 -0.350 2
1 769 . 1 1 A 80 80 PHE CA C 80 58.208 58.173 0.035 2
1 770 . 1 1 A 80 80 PHE CB C 80 39.615 39.001 0.614 2
1 771 . 1 1 A 80 80 PHE N N 80 114.796 115.369 -0.573 2
1 772 . 1 1 A 81 81 ALA H H 81 7.611 7.583 0.028 2
1 773 . 1 1 A 81 81 ALA HA H 81 4.364 4.329 0.035 2
1 777 . 1 1 A 81 81 ALA C C 81 177.568 177.033 0.535 2
1 778 . 1 1 A 81 81 ALA CA C 81 52.989 52.562 0.427 2
1 779 . 1 1 A 81 81 ALA CB C 81 19.902 20.069 -0.167 2
1 780 . 1 1 A 81 81 ALA N N 81 122.618 122.159 0.459 2
1 781 . 1 1 A 82 82 LYS H H 82 8.155 8.381 -0.226 2
1 782 . 1 1 A 82 82 LYS HA H 82 4.313 4.399 -0.086 2
1 784 . 1 1 A 82 82 LYS C C 82 176.941 175.495 1.446 2
1 785 . 1 1 A 82 82 LYS CA C 82 57.023 56.431 0.592 2
1 786 . 1 1 A 82 82 LYS CB C 82 33.299 33.383 -0.084 2
1 789 . 1 1 A 82 82 LYS N N 82 120.345 118.191 2.154 2
1 790 . 1 1 A 83 83 LYS H H 83 8.256 8.436 -0.180 2
1 791 . 1 1 A 83 83 LYS HA H 83 4.378 4.428 -0.050 2
1 794 . 1 1 A 83 83 LYS CA C 83 56.618 56.291 0.327 2
1 795 . 1 1 A 83 83 LYS CB C 83 33.767 33.667 0.100 2
1 799 . 1 1 A 83 83 LYS N N 83 122.901 121.238 1.663 2
stop_
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