data_15645_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15645
_Entry.PDB_ID 2K0D
_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 30
_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 12 . 1 1 1 X 10 10 LEU H H 3 8.121 8.627 -0.506 1
1 13 . 1 1 1 X 10 10 LEU HA H 3 4.240 5.177 -0.937 1
1 23 . 1 1 1 X 10 10 LEU C C 3 176.909 176.304 0.605 1
1 24 . 1 1 1 X 10 10 LEU CA C 3 54.748 53.704 1.044 1
1 25 . 1 1 1 X 10 10 LEU CB C 3 41.272 43.241 -1.969 1
1 29 . 1 1 1 X 10 10 LEU N N 3 123.688 126.116 -2.428 1
1 30 . 1 1 1 X 11 11 LYS H H 4 7.677 8.805 -1.128 1
1 31 . 1 1 1 X 11 11 LYS HA H 4 4.404 4.561 -0.157 1
1 40 . 1 1 1 X 11 11 LYS C C 4 176.184 177.086 -0.902 1
1 41 . 1 1 1 X 11 11 LYS CA C 4 55.828 54.645 1.183 1
1 42 . 1 1 1 X 11 11 LYS CB C 4 33.482 33.757 -0.275 1
1 46 . 1 1 1 X 11 11 LYS N N 4 122.221 122.776 -0.555 1
1 47 . 1 1 1 X 12 12 ASN H H 5 8.538 8.691 -0.153 1
1 48 . 1 1 1 X 12 12 ASN HA H 5 4.685 5.111 -0.426 1
1 53 . 1 1 1 X 12 12 ASN C C 5 174.925 175.358 -0.433 1
1 54 . 1 1 1 X 12 12 ASN CA C 5 55.721 54.366 1.355 1
1 55 . 1 1 1 X 12 12 ASN CB C 5 40.409 41.033 -0.624 1
1 57 . 1 1 1 X 12 12 ASN N N 5 116.610 118.170 -1.560 1
1 59 . 1 1 1 X 13 13 SER H H 6 8.144 7.772 0.372 1
1 60 . 1 1 1 X 13 13 SER HA H 6 4.819 4.868 -0.049 1
1 63 . 1 1 1 X 13 13 SER C C 6 175.123 175.258 -0.135 1
1 64 . 1 1 1 X 13 13 SER CA C 6 56.778 55.592 1.186 1
1 65 . 1 1 1 X 13 13 SER CB C 6 65.949 67.081 -1.132 1
1 66 . 1 1 1 X 13 13 SER N N 6 112.138 111.182 0.956 1
1 67 . 1 1 1 X 14 14 ILE H H 7 9.318 8.789 0.529 1
1 68 . 1 1 1 X 14 14 ILE HA H 7 3.966 4.253 -0.287 1
1 78 . 1 1 1 X 14 14 ILE C C 7 175.537 178.417 -2.880 1
1 79 . 1 1 1 X 14 14 ILE CA C 7 64.956 63.925 1.031 1
1 80 . 1 1 1 X 14 14 ILE CB C 7 37.062 37.889 -0.827 1
1 84 . 1 1 1 X 14 14 ILE N N 7 126.034 124.486 1.548 1
1 85 . 1 1 1 X 15 15 SER H H 8 7.504 8.139 -0.635 1
1 86 . 1 1 1 X 15 15 SER HA H 8 4.694 4.523 0.171 1
1 89 . 1 1 1 X 15 15 SER C C 8 174.278 174.583 -0.305 1
1 90 . 1 1 1 X 15 15 SER CA C 8 59.481 60.273 -0.792 1
1 91 . 1 1 1 X 15 15 SER CB C 8 63.241 63.539 -0.298 1
1 92 . 1 1 1 X 15 15 SER N N 8 112.517 117.423 -4.906 1
1 93 . 1 1 1 X 16 16 ASP H H 9 7.783 7.765 0.018 1
1 94 . 1 1 1 X 16 16 ASP HA H 9 4.791 4.746 0.045 1
1 97 . 1 1 1 X 16 16 ASP C C 9 175.976 175.880 0.096 1
1 98 . 1 1 1 X 16 16 ASP CA C 9 55.243 53.529 1.714 1
1 99 . 1 1 1 X 16 16 ASP CB C 9 43.327 41.025 2.302 1
1 100 . 1 1 1 X 16 16 ASP N N 9 117.795 119.686 -1.891 1
1 101 . 1 1 1 X 17 17 TYR H H 10 8.279 7.699 0.580 1
1 102 . 1 1 1 X 17 17 TYR HA H 10 4.962 5.009 -0.047 1
1 109 . 1 1 1 X 17 17 TYR C C 10 177.535 176.096 1.439 1
1 110 . 1 1 1 X 17 17 TYR CA C 10 58.573 57.573 1.000 1
1 111 . 1 1 1 X 17 17 TYR CB C 10 41.015 40.007 1.008 1
1 116 . 1 1 1 X 17 17 TYR N N 10 120.484 118.624 1.860 1
1 117 . 1 1 1 X 18 18 THR H H 11 8.796 8.872 -0.076 1
1 118 . 1 1 1 X 18 18 THR HA H 11 5.040 5.376 -0.336 1
1 123 . 1 1 1 X 18 18 THR C C 11 176.099 175.941 0.158 1
1 124 . 1 1 1 X 18 18 THR CA C 11 60.775 60.597 0.178 1
1 125 . 1 1 1 X 18 18 THR CB C 11 71.041 71.339 -0.298 1
1 127 . 1 1 1 X 18 18 THR N N 11 112.143 116.596 -4.453 1
1 128 . 1 1 1 X 19 19 GLU H H 12 9.173 9.065 0.108 1
1 129 . 1 1 1 X 19 19 GLU HA H 12 2.757 3.660 -0.903 1
1 134 . 1 1 1 X 19 19 GLU C C 12 178.378 178.462 -0.084 1
1 135 . 1 1 1 X 19 19 GLU CA C 12 60.906 59.147 1.759 1
1 136 . 1 1 1 X 19 19 GLU CB C 12 29.442 29.120 0.322 1
1 138 . 1 1 1 X 19 19 GLU N N 12 122.386 120.500 1.886 1
1 139 . 1 1 1 X 20 20 ALA H H 13 8.356 8.232 0.124 1
1 140 . 1 1 1 X 20 20 ALA HA H 13 4.069 4.206 -0.137 1
1 144 . 1 1 1 X 20 20 ALA C C 13 181.816 180.214 1.602 1
1 145 . 1 1 1 X 20 20 ALA CA C 13 55.388 54.767 0.621 1
1 146 . 1 1 1 X 20 20 ALA CB C 13 18.308 18.518 -0.210 1
1 147 . 1 1 1 X 20 20 ALA N N 13 118.695 121.978 -3.283 1
1 148 . 1 1 1 X 21 21 GLU H H 14 8.013 8.157 -0.144 1
1 149 . 1 1 1 X 21 21 GLU HA H 14 4.131 4.154 -0.023 1
1 154 . 1 1 1 X 21 21 GLU C C 14 179.649 179.079 0.570 1
1 155 . 1 1 1 X 21 21 GLU CA C 14 58.916 58.330 0.586 1
1 156 . 1 1 1 X 21 21 GLU CB C 14 31.632 29.648 1.984 1
1 158 . 1 1 1 X 21 21 GLU N N 14 118.978 119.781 -0.803 1
1 159 . 1 1 1 X 22 22 PHE H H 15 8.635 8.548 0.087 1
1 160 . 1 1 1 X 22 22 PHE HA H 15 4.049 4.111 -0.062 1
1 167 . 1 1 1 X 22 22 PHE C C 15 177.402 177.614 -0.212 1
1 168 . 1 1 1 X 22 22 PHE CA C 15 62.183 61.142 1.041 1
1 169 . 1 1 1 X 22 22 PHE CB C 15 40.545 38.863 1.682 1
1 174 . 1 1 1 X 22 22 PHE N N 15 124.639 122.879 1.760 1
1 175 . 1 1 1 X 23 23 VAL H H 16 8.647 8.362 0.285 1
1 176 . 1 1 1 X 23 23 VAL HA H 16 3.416 3.719 -0.303 1
1 184 . 1 1 1 X 23 23 VAL C C 16 177.798 177.667 0.131 1
1 185 . 1 1 1 X 23 23 VAL CA C 16 67.917 66.712 1.205 1
1 186 . 1 1 1 X 23 23 VAL CB C 16 31.579 30.831 0.748 1
1 189 . 1 1 1 X 23 23 VAL N N 16 119.817 118.633 1.184 1
1 190 . 1 1 1 X 24 24 GLN H H 17 7.569 8.263 -0.694 1
1 191 . 1 1 1 X 24 24 GLN HA H 17 3.943 3.973 -0.030 1
1 198 . 1 1 1 X 24 24 GLN C C 17 178.313 178.190 0.123 1
1 199 . 1 1 1 X 24 24 GLN CA C 17 59.289 59.091 0.198 1
1 200 . 1 1 1 X 24 24 GLN CB C 17 27.814 28.116 -0.302 1
1 203 . 1 1 1 X 24 24 GLN N N 17 117.658 120.891 -3.233 1
1 205 . 1 1 1 X 25 25 LEU H H 18 7.512 7.691 -0.179 1
1 206 . 1 1 1 X 25 25 LEU HA H 18 4.136 3.980 0.156 1
1 216 . 1 1 1 X 25 25 LEU C C 18 178.440 178.108 0.332 1
1 217 . 1 1 1 X 25 25 LEU CA C 18 58.651 58.085 0.566 1
1 218 . 1 1 1 X 25 25 LEU CB C 18 40.626 41.159 -0.533 1
1 222 . 1 1 1 X 25 25 LEU N N 18 122.037 121.081 0.956 1
1 223 . 1 1 1 X 26 26 LEU H H 19 7.761 8.244 -0.483 1
1 224 . 1 1 1 X 26 26 LEU HA H 19 3.748 3.598 0.150 1
1 234 . 1 1 1 X 26 26 LEU C C 19 180.080 179.272 0.808 1
1 235 . 1 1 1 X 26 26 LEU CA C 19 58.041 57.441 0.600 1
1 236 . 1 1 1 X 26 26 LEU CB C 19 41.009 41.255 -0.246 1
1 240 . 1 1 1 X 26 26 LEU N N 19 118.502 118.000 0.502 1
1 241 . 1 1 1 X 27 27 LYS H H 20 8.357 8.410 -0.053 1
1 242 . 1 1 1 X 27 27 LYS HA H 20 4.019 3.973 0.046 1
1 251 . 1 1 1 X 27 27 LYS C C 20 179.559 179.587 -0.028 1
1 252 . 1 1 1 X 27 27 LYS CA C 20 59.648 59.904 -0.256 1
1 253 . 1 1 1 X 27 27 LYS CB C 20 31.995 32.063 -0.068 1
1 257 . 1 1 1 X 27 27 LYS N N 20 120.427 118.385 2.042 1
1 258 . 1 1 1 X 28 28 GLU H H 21 8.123 7.515 0.608 1
1 259 . 1 1 1 X 28 28 GLU HA H 21 4.082 4.040 0.042 1
1 264 . 1 1 1 X 28 28 GLU C C 21 179.063 179.444 -0.381 1
1 265 . 1 1 1 X 28 28 GLU CA C 21 59.406 59.061 0.345 1
1 266 . 1 1 1 X 28 28 GLU CB C 21 29.146 29.367 -0.221 1
1 268 . 1 1 1 X 28 28 GLU N N 21 122.374 119.933 2.441 1
1 269 . 1 1 1 X 29 29 ILE H H 22 8.049 8.537 -0.488 1
1 270 . 1 1 1 X 29 29 ILE HA H 22 3.343 3.566 -0.223 1
1 280 . 1 1 1 X 29 29 ILE C C 22 177.151 177.690 -0.539 1
1 281 . 1 1 1 X 29 29 ILE CA C 22 66.435 65.383 1.052 1
1 282 . 1 1 1 X 29 29 ILE CB C 22 37.954 37.381 0.573 1
1 286 . 1 1 1 X 29 29 ILE N N 22 120.195 121.440 -1.245 1
1 287 . 1 1 1 X 30 30 GLU H H 23 7.820 8.214 -0.394 1
1 288 . 1 1 1 X 30 30 GLU HA H 23 3.983 3.744 0.239 1
1 293 . 1 1 1 X 30 30 GLU C C 23 178.990 178.870 0.120 1
1 294 . 1 1 1 X 30 30 GLU CA C 23 59.460 60.019 -0.559 1
1 295 . 1 1 1 X 30 30 GLU CB C 23 30.012 29.341 0.671 1
1 297 . 1 1 1 X 30 30 GLU N N 23 118.917 120.814 -1.897 1
1 298 . 1 1 1 X 31 31 LYS H H 24 7.678 7.938 -0.260 1
1 299 . 1 1 1 X 31 31 LYS HA H 24 4.059 3.943 0.116 1
1 308 . 1 1 1 X 31 31 LYS C C 24 179.231 179.350 -0.119 1
1 309 . 1 1 1 X 31 31 LYS CA C 24 59.152 59.773 -0.621 1
1 310 . 1 1 1 X 31 31 LYS CB C 24 32.712 32.336 0.376 1
1 314 . 1 1 1 X 31 31 LYS N N 24 118.807 119.822 -1.015 1
1 315 . 1 1 1 X 32 32 GLU H H 25 8.182 8.412 -0.230 1
1 316 . 1 1 1 X 32 32 GLU HA H 25 4.309 4.112 0.197 1
1 321 . 1 1 1 X 32 32 GLU C C 25 177.897 179.415 -1.518 1
1 322 . 1 1 1 X 32 32 GLU CA C 25 57.449 59.155 -1.706 1
1 323 . 1 1 1 X 32 32 GLU CB C 25 29.522 28.680 0.842 1
1 325 . 1 1 1 X 32 32 GLU N N 25 118.578 118.686 -0.108 1
1 326 . 1 1 1 X 33 33 ASN H H 26 8.343 8.072 0.271 1
1 327 . 1 1 1 X 33 33 ASN HA H 26 4.608 4.428 0.180 1
1 330 . 1 1 1 X 33 33 ASN C C 26 176.524 177.343 -0.819 1
1 331 . 1 1 1 X 33 33 ASN CA C 26 55.463 56.089 -0.626 1
1 332 . 1 1 1 X 33 33 ASN CB C 26 39.074 38.694 0.380 1
1 333 . 1 1 1 X 33 33 ASN N N 26 118.483 118.693 -0.210 1
1 334 . 1 1 1 X 34 34 VAL H H 27 7.434 7.999 -0.565 1
1 335 . 1 1 1 X 34 34 VAL HA H 27 4.182 3.882 0.300 1
1 343 . 1 1 1 X 34 34 VAL C C 27 176.315 177.870 -1.555 1
1 344 . 1 1 1 X 34 34 VAL CA C 27 62.829 63.990 -1.161 1
1 345 . 1 1 1 X 34 34 VAL CB C 27 32.178 31.295 0.883 1
1 348 . 1 1 1 X 34 34 VAL N N 27 114.036 116.387 -2.351 1
1 349 . 1 1 1 X 35 35 ALA H H 28 7.648 7.711 -0.063 1
1 350 . 1 1 1 X 35 35 ALA HA H 28 4.346 4.209 0.137 1
1 354 . 1 1 1 X 35 35 ALA C C 28 177.126 176.919 0.207 1
1 355 . 1 1 1 X 35 35 ALA CA C 28 52.712 53.018 -0.306 1
1 356 . 1 1 1 X 35 35 ALA CB C 28 19.915 19.537 0.378 1
1 357 . 1 1 1 X 35 35 ALA N N 28 124.066 123.562 0.504 1
1 358 . 1 1 1 X 36 36 ALA H H 29 8.337 7.826 0.511 1
1 359 . 1 1 1 X 36 36 ALA HA H 29 4.260 3.955 0.305 1
1 363 . 1 1 1 X 36 36 ALA C C 29 177.999 176.036 1.963 1
1 364 . 1 1 1 X 36 36 ALA CA C 29 53.660 52.941 0.719 1
1 365 . 1 1 1 X 36 36 ALA CB C 29 19.175 17.276 1.899 1
1 366 . 1 1 1 X 36 36 ALA N N 29 121.695 119.867 1.828 1
1 367 . 1 1 1 X 37 37 THR H H 30 8.093 7.651 0.442 1
1 368 . 1 1 1 X 37 37 THR HA H 30 4.533 4.789 -0.256 1
1 373 . 1 1 1 X 37 37 THR C C 30 174.715 173.859 0.856 1
1 374 . 1 1 1 X 37 37 THR CA C 30 60.860 60.493 0.367 1
1 375 . 1 1 1 X 37 37 THR CB C 30 70.424 70.313 0.111 1
1 377 . 1 1 1 X 37 37 THR N N 30 110.112 106.793 3.319 1
1 378 . 1 1 1 X 38 38 ASP H H 31 8.488 8.420 0.068 1
1 379 . 1 1 1 X 38 38 ASP HA H 31 4.685 4.764 -0.079 1
1 382 . 1 1 1 X 38 38 ASP C C 31 175.896 177.358 -1.462 1
1 383 . 1 1 1 X 38 38 ASP CA C 31 54.704 54.742 -0.038 1
1 384 . 1 1 1 X 38 38 ASP CB C 31 41.389 42.484 -1.095 1
1 385 . 1 1 1 X 38 38 ASP N N 31 121.899 119.964 1.935 1
1 386 . 1 1 1 X 39 39 ASP H H 32 8.368 8.149 0.219 1
1 387 . 1 1 1 X 39 39 ASP HA H 32 4.459 4.413 0.046 1
1 390 . 1 1 1 X 39 39 ASP C C 32 177.499 178.260 -0.761 1
1 391 . 1 1 1 X 39 39 ASP CA C 32 56.443 57.537 -1.094 1
1 392 . 1 1 1 X 39 39 ASP CB C 32 40.737 41.458 -0.721 1
1 393 . 1 1 1 X 39 39 ASP N N 32 118.770 120.144 -1.374 1
1 394 . 1 1 1 X 40 40 VAL H H 33 7.963 7.915 0.048 1
1 395 . 1 1 1 X 40 40 VAL HA H 33 3.800 3.741 0.059 1
1 403 . 1 1 1 X 40 40 VAL C C 33 177.362 177.642 -0.280 1
1 404 . 1 1 1 X 40 40 VAL CA C 33 64.970 66.334 -1.364 1
1 405 . 1 1 1 X 40 40 VAL CB C 33 32.256 31.276 0.980 1
1 408 . 1 1 1 X 40 40 VAL N N 33 119.409 118.960 0.449 1
1 409 . 1 1 1 X 41 41 LEU H H 34 8.508 8.051 0.457 1
1 410 . 1 1 1 X 41 41 LEU HA H 34 3.857 3.920 -0.063 1
1 420 . 1 1 1 X 41 41 LEU C C 34 177.633 178.137 -0.504 1
1 421 . 1 1 1 X 41 41 LEU CA C 34 58.428 58.587 -0.159 1
1 422 . 1 1 1 X 41 41 LEU CB C 34 41.755 41.224 0.531 1
1 426 . 1 1 1 X 41 41 LEU N N 34 122.150 120.900 1.250 1
1 427 . 1 1 1 X 42 42 ASP H H 35 8.236 8.578 -0.342 1
1 428 . 1 1 1 X 42 42 ASP HA H 35 4.370 4.512 -0.142 1
1 431 . 1 1 1 X 42 42 ASP C C 35 179.155 178.714 0.441 1
1 432 . 1 1 1 X 42 42 ASP CA C 35 57.925 57.064 0.861 1
1 433 . 1 1 1 X 42 42 ASP CB C 35 40.417 40.718 -0.301 1
1 434 . 1 1 1 X 42 42 ASP N N 35 116.374 118.778 -2.404 1
1 435 . 1 1 1 X 43 43 VAL H H 36 7.320 7.695 -0.375 1
1 436 . 1 1 1 X 43 43 VAL HA H 36 3.782 3.641 0.141 1
1 444 . 1 1 1 X 43 43 VAL C C 36 179.309 178.074 1.235 1
1 445 . 1 1 1 X 43 43 VAL CA C 36 66.080 66.638 -0.558 1
1 446 . 1 1 1 X 43 43 VAL CB C 36 32.245 31.624 0.621 1
1 449 . 1 1 1 X 43 43 VAL N N 36 119.754 121.450 -1.696 1
1 450 . 1 1 1 X 44 44 LEU H H 37 8.122 8.566 -0.444 1
1 451 . 1 1 1 X 44 44 LEU HA H 37 4.008 4.049 -0.041 1
1 461 . 1 1 1 X 44 44 LEU C C 37 179.518 179.381 0.137 1
1 462 . 1 1 1 X 44 44 LEU CA C 37 58.048 57.819 0.229 1
1 463 . 1 1 1 X 44 44 LEU CB C 37 42.374 41.471 0.903 1
1 467 . 1 1 1 X 44 44 LEU N N 37 120.608 118.829 1.779 1
1 468 . 1 1 1 X 45 45 LEU H H 38 8.898 8.371 0.527 1
1 469 . 1 1 1 X 45 45 LEU HA H 38 4.030 3.958 0.072 1
1 479 . 1 1 1 X 45 45 LEU C C 38 179.166 179.496 -0.330 1
1 480 . 1 1 1 X 45 45 LEU CA C 38 58.184 58.288 -0.104 1
1 481 . 1 1 1 X 45 45 LEU CB C 38 41.506 41.786 -0.280 1
1 485 . 1 1 1 X 45 45 LEU N N 38 119.199 119.199 0.000 1
1 486 . 1 1 1 X 46 46 GLU H H 39 7.964 8.053 -0.089 1
1 487 . 1 1 1 X 46 46 GLU HA H 39 4.066 4.067 -0.001 1
1 492 . 1 1 1 X 46 46 GLU C C 39 178.995 178.968 0.027 1
1 493 . 1 1 1 X 46 46 GLU CA C 39 59.769 59.589 0.180 1
1 494 . 1 1 1 X 46 46 GLU CB C 39 29.577 29.284 0.293 1
1 496 . 1 1 1 X 46 46 GLU N N 39 119.334 117.982 1.352 1
1 497 . 1 1 1 X 47 47 HIS H H 40 8.009 8.741 -0.732 1
1 498 . 1 1 1 X 47 47 HIS HA H 40 4.416 4.403 0.013 1
1 503 . 1 1 1 X 47 47 HIS C C 40 176.115 176.937 -0.822 1
1 504 . 1 1 1 X 47 47 HIS CA C 40 60.151 58.837 1.314 1
1 505 . 1 1 1 X 47 47 HIS CB C 40 30.389 30.598 -0.209 1
1 508 . 1 1 1 X 47 47 HIS N N 40 119.610 119.909 -0.299 1
1 509 . 1 1 1 X 48 48 PHE H H 41 8.711 8.519 0.192 1
1 510 . 1 1 1 X 48 48 PHE HA H 41 3.808 4.213 -0.405 1
1 518 . 1 1 1 X 48 48 PHE C C 41 178.023 177.304 0.719 1
1 519 . 1 1 1 X 48 48 PHE CA C 41 62.654 61.420 1.234 1
1 520 . 1 1 1 X 48 48 PHE CB C 41 39.408 39.241 0.167 1
1 526 . 1 1 1 X 48 48 PHE N N 41 118.110 120.252 -2.142 1
1 527 . 1 1 1 X 49 49 VAL H H 42 8.439 8.209 0.230 1
1 528 . 1 1 1 X 49 49 VAL HA H 42 3.359 3.741 -0.382 1
1 536 . 1 1 1 X 49 49 VAL C C 42 178.340 177.843 0.497 1
1 537 . 1 1 1 X 49 49 VAL CA C 42 67.276 64.507 2.769 1
1 538 . 1 1 1 X 49 49 VAL CB C 42 32.235 31.404 0.831 1
1 541 . 1 1 1 X 49 49 VAL N N 42 121.301 118.717 2.584 1
1 542 . 1 1 1 X 50 50 LYS H H 43 8.091 8.537 -0.446 1
1 543 . 1 1 1 X 50 50 LYS HA H 43 3.973 4.065 -0.092 1
1 552 . 1 1 1 X 50 50 LYS C C 43 178.985 178.385 0.600 1
1 553 . 1 1 1 X 50 50 LYS CA C 43 59.580 59.054 0.526 1
1 554 . 1 1 1 X 50 50 LYS CB C 43 32.784 31.844 0.940 1
1 558 . 1 1 1 X 50 50 LYS N N 43 120.887 120.394 0.493 1
1 559 . 1 1 1 X 51 51 ILE H H 44 8.347 7.507 0.840 1
1 560 . 1 1 1 X 51 51 ILE HA H 44 4.159 3.871 0.288 1
1 570 . 1 1 1 X 51 51 ILE C C 44 178.121 177.966 0.155 1
1 571 . 1 1 1 X 51 51 ILE CA C 44 62.328 64.224 -1.896 1
1 572 . 1 1 1 X 51 51 ILE CB C 44 37.576 37.552 0.024 1
1 576 . 1 1 1 X 51 51 ILE N N 44 111.354 116.658 -5.304 1
1 577 . 1 1 1 X 52 52 THR H H 45 7.588 7.867 -0.279 1
1 578 . 1 1 1 X 52 52 THR HA H 45 3.683 4.067 -0.384 1
1 583 . 1 1 1 X 52 52 THR C C 45 176.285 175.392 0.893 1
1 584 . 1 1 1 X 52 52 THR CA C 45 65.803 63.407 2.396 1
1 585 . 1 1 1 X 52 52 THR CB C 45 69.689 69.762 -0.073 1
1 587 . 1 1 1 X 52 52 THR N N 45 109.646 112.753 -3.107 1
1 588 . 1 1 1 X 53 53 GLU H H 46 7.366 7.544 -0.178 1
1 589 . 1 1 1 X 53 53 GLU HA H 46 3.836 4.243 -0.407 1
1 594 . 1 1 1 X 53 53 GLU C C 46 173.418 174.953 -1.535 1
1 595 . 1 1 1 X 53 53 GLU CA C 46 57.709 57.461 0.248 1
1 596 . 1 1 1 X 53 53 GLU CB C 46 29.067 27.436 1.631 1
1 598 . 1 1 1 X 53 53 GLU N N 46 112.606 113.104 -0.498 1
1 599 . 1 1 1 X 54 54 HIS H H 47 7.127 7.059 0.068 1
1 600 . 1 1 1 X 54 54 HIS HA H 47 3.070 3.148 -0.078 1
1 605 . 1 1 1 X 54 54 HIS CA C 47 55.826 54.814 1.012 1
1 606 . 1 1 1 X 54 54 HIS CB C 47 32.124 30.819 1.305 1
1 609 . 1 1 1 X 54 54 HIS N N 47 119.651 119.989 -0.338 1
1 610 . 1 1 1 X 55 55 PRO HA H 48 4.143 4.301 -0.158 1
1 617 . 1 1 1 X 55 55 PRO CA C 48 64.843 64.559 0.284 1
1 618 . 1 1 1 X 55 55 PRO CB C 48 32.350 31.642 0.708 1
1 621 . 1 1 1 X 56 56 ASP H H 49 10.605 7.504 3.101 1
1 622 . 1 1 1 X 56 56 ASP HA H 49 4.712 5.046 -0.334 1
1 625 . 1 1 1 X 56 56 ASP C C 49 178.187 177.304 0.883 1
1 626 . 1 1 1 X 56 56 ASP CA C 49 54.989 53.732 1.257 1
1 627 . 1 1 1 X 56 56 ASP CB C 49 40.657 41.936 -1.279 1
1 628 . 1 1 1 X 56 56 ASP N N 49 121.022 117.762 3.260 1
1 629 . 1 1 1 X 57 57 GLY H H 50 8.011 8.232 -0.221 1
1 630 . 1 1 1 X 57 57 GLY HA2 H 50 4.122 3.880 0.242 1
1 631 . 1 1 1 X 57 57 GLY HA3 H 50 3.701 3.932 -0.231 1
1 632 . 1 1 1 X 57 57 GLY C C 50 175.337 176.003 -0.666 1
1 633 . 1 1 1 X 57 57 GLY CA C 50 47.435 47.525 -0.090 1
1 634 . 1 1 1 X 57 57 GLY N N 50 108.190 109.257 -1.067 1
1 635 . 1 1 1 X 58 58 THR H H 51 9.047 8.121 0.926 1
1 636 . 1 1 1 X 58 58 THR HA H 51 3.730 4.422 -0.692 1
1 641 . 1 1 1 X 58 58 THR C C 51 176.082 176.985 -0.903 1
1 642 . 1 1 1 X 58 58 THR CA C 51 64.795 64.318 0.477 1
1 643 . 1 1 1 X 58 58 THR CB C 51 68.398 68.986 -0.588 1
1 645 . 1 1 1 X 58 58 THR N N 51 114.996 115.481 -0.485 1
1 646 . 1 1 1 X 59 59 ALA H H 52 8.142 8.119 0.023 1
1 647 . 1 1 1 X 59 59 ALA HA H 52 4.205 4.134 0.071 1
1 651 . 1 1 1 X 59 59 ALA C C 52 179.373 180.288 -0.915 1
1 652 . 1 1 1 X 59 59 ALA CA C 52 55.625 55.159 0.466 1
1 653 . 1 1 1 X 59 59 ALA CB C 52 18.416 18.364 0.052 1
1 654 . 1 1 1 X 59 59 ALA N N 52 125.565 125.389 0.176 1
1 655 . 1 1 1 X 60 60 LEU H H 53 7.399 8.457 -1.058 1
1 656 . 1 1 1 X 60 60 LEU HA H 53 3.835 4.065 -0.230 1
1 666 . 1 1 1 X 60 60 LEU C C 53 178.601 179.357 -0.756 1
1 667 . 1 1 1 X 60 60 LEU CA C 53 58.031 57.757 0.274 1
1 668 . 1 1 1 X 60 60 LEU CB C 53 43.487 41.479 2.008 1
1 672 . 1 1 1 X 60 60 LEU N N 53 114.763 119.185 -4.422 1
1 673 . 1 1 1 X 61 61 ILE H H 54 6.855 7.702 -0.847 1
1 674 . 1 1 1 X 61 61 ILE HA H 54 3.518 3.411 0.107 1
1 684 . 1 1 1 X 61 61 ILE C C 54 178.595 177.695 0.900 1
1 685 . 1 1 1 X 61 61 ILE CA C 54 62.989 65.080 -2.091 1
1 686 . 1 1 1 X 61 61 ILE CB C 54 38.424 37.404 1.020 1
1 690 . 1 1 1 X 61 61 ILE N N 54 114.394 120.334 -5.940 1
1 691 . 1 1 1 X 62 62 TYR H H 55 7.489 8.238 -0.749 1
1 692 . 1 1 1 X 62 62 TYR HA H 55 4.243 4.250 -0.007 1
1 699 . 1 1 1 X 62 62 TYR C C 55 178.634 178.847 -0.213 1
1 700 . 1 1 1 X 62 62 TYR CA C 55 61.518 60.347 1.171 1
1 701 . 1 1 1 X 62 62 TYR CB C 55 37.566 38.195 -0.629 1
1 706 . 1 1 1 X 62 62 TYR N N 55 117.898 118.461 -0.563 1
1 707 . 1 1 1 X 63 63 GLU H H 56 8.659 8.936 -0.277 1
1 708 . 1 1 1 X 63 63 GLU HA H 56 4.441 4.118 0.323 1
1 713 . 1 1 1 X 63 63 GLU C C 56 177.785 178.929 -1.144 1
1 714 . 1 1 1 X 63 63 GLU CA C 56 57.658 59.374 -1.716 1
1 715 . 1 1 1 X 63 63 GLU CB C 56 29.034 29.125 -0.091 1
1 717 . 1 1 1 X 63 63 GLU N N 56 119.392 117.901 1.491 1
1 718 . 1 1 1 X 64 64 ALA H H 57 7.164 8.136 -0.972 1
1 719 . 1 1 1 X 64 64 ALA HA H 57 4.021 4.231 -0.210 1
1 723 . 1 1 1 X 64 64 ALA C C 57 180.327 179.850 0.477 1
1 724 . 1 1 1 X 64 64 ALA CA C 57 55.759 54.895 0.864 1
1 725 . 1 1 1 X 64 64 ALA CB C 57 18.615 18.081 0.534 1
1 726 . 1 1 1 X 64 64 ALA N N 57 121.778 122.335 -0.557 1
1 727 . 1 1 1 X 65 65 ALA H H 58 8.076 7.939 0.137 1
1 728 . 1 1 1 X 65 65 ALA HA H 58 4.137 4.012 0.125 1
1 732 . 1 1 1 X 65 65 ALA C C 58 180.248 179.347 0.901 1
1 733 . 1 1 1 X 65 65 ALA CA C 58 55.104 54.845 0.259 1
1 734 . 1 1 1 X 65 65 ALA CB C 58 18.071 18.486 -0.415 1
1 735 . 1 1 1 X 65 65 ALA N N 58 120.307 120.056 0.251 1
1 736 . 1 1 1 X 66 66 ALA H H 59 7.893 7.882 0.011 1
1 737 . 1 1 1 X 66 66 ALA HA H 59 4.170 4.047 0.123 1
1 741 . 1 1 1 X 66 66 ALA C C 59 180.838 179.720 1.118 1
1 742 . 1 1 1 X 66 66 ALA CA C 59 54.800 55.157 -0.357 1
1 743 . 1 1 1 X 66 66 ALA CB C 59 18.184 17.677 0.507 1
1 744 . 1 1 1 X 66 66 ALA N N 59 122.126 119.296 2.830 1
1 745 . 1 1 1 X 67 67 ARG H H 60 8.139 8.776 -0.637 1
1 746 . 1 1 1 X 67 67 ARG HA H 60 4.065 3.966 0.099 1
1 753 . 1 1 1 X 67 67 ARG C C 60 178.779 178.561 0.218 1
1 754 . 1 1 1 X 67 67 ARG CA C 60 59.282 59.761 -0.479 1
1 755 . 1 1 1 X 67 67 ARG CB C 60 30.863 29.851 1.012 1
1 758 . 1 1 1 X 67 67 ARG N N 60 118.948 117.642 1.306 1
1 759 . 1 1 1 X 68 68 ALA H H 61 7.891 8.101 -0.210 1
1 760 . 1 1 1 X 68 68 ALA HA H 61 4.141 4.133 0.008 1
1 764 . 1 1 1 X 68 68 ALA C C 61 179.329 179.486 -0.157 1
1 765 . 1 1 1 X 68 68 ALA CA C 61 54.340 54.984 -0.644 1
1 766 . 1 1 1 X 68 68 ALA CB C 61 18.528 18.270 0.258 1
1 767 . 1 1 1 X 68 68 ALA N N 61 121.473 122.324 -0.851 1
1 768 . 1 1 1 X 69 69 ALA H H 62 7.663 8.335 -0.672 1
1 769 . 1 1 1 X 69 69 ALA HA H 62 4.133 4.015 0.118 1
1 773 . 1 1 1 X 69 69 ALA C C 62 178.591 179.360 -0.769 1
1 774 . 1 1 1 X 69 69 ALA CA C 62 53.863 55.032 -1.169 1
1 775 . 1 1 1 X 69 69 ALA CB C 62 18.438 18.181 0.257 1
1 776 . 1 1 1 X 69 69 ALA N N 62 118.937 119.990 -1.053 1
1 777 . 1 1 1 X 70 70 ALA H H 63 7.488 7.931 -0.443 1
1 778 . 1 1 1 X 70 70 ALA HA H 63 4.280 4.122 0.158 1
1 782 . 1 1 1 X 70 70 ALA C C 63 177.318 177.661 -0.343 1
1 783 . 1 1 1 X 70 70 ALA CA C 63 52.981 54.757 -1.776 1
1 784 . 1 1 1 X 70 70 ALA CB C 63 19.324 19.408 -0.084 1
1 785 . 1 1 1 X 70 70 ALA N N 63 118.642 118.029 0.613 1
1 786 . 1 1 1 X 71 71 ASN H H 64 7.631 8.184 -0.553 1
1 787 . 1 1 1 X 71 71 ASN HA H 64 5.077 4.670 0.407 1
1 792 . 1 1 1 X 71 71 ASN CA C 64 50.877 53.947 -3.070 1
1 793 . 1 1 1 X 71 71 ASN CB C 64 39.243 36.893 2.350 1
1 795 . 1 1 1 X 71 71 ASN N N 64 116.008 115.679 0.329 1
1 797 . 1 1 1 X 72 72 PRO HA H 65 4.468 4.399 0.069 1
1 804 . 1 1 1 X 72 72 PRO CA C 65 64.454 65.847 -1.393 1
1 805 . 1 1 1 X 72 72 PRO CB C 65 32.007 31.516 0.491 1
1 808 . 1 1 1 X 73 73 GLY H H 66 8.608 7.933 0.675 1
1 809 . 1 1 1 X 73 73 GLY HA2 H 66 3.978 4.145 -0.167 1
1 810 . 1 1 1 X 73 73 GLY HA3 H 66 3.978 4.147 -0.169 1
1 811 . 1 1 1 X 73 73 GLY C C 66 175.054 175.269 -0.215 1
1 812 . 1 1 1 X 73 73 GLY CA C 66 45.521 45.513 0.008 1
1 813 . 1 1 1 X 73 73 GLY N N 66 109.435 105.815 3.620 1
1 814 . 1 1 1 X 74 74 GLY H H 67 8.085 7.832 0.253 1
1 815 . 1 1 1 X 74 74 GLY HA2 H 67 4.132 3.985 0.147 1
1 816 . 1 1 1 X 74 74 GLY HA3 H 67 3.896 3.988 -0.092 1
1 817 . 1 1 1 X 74 74 GLY C C 67 174.008 173.764 0.244 1
1 818 . 1 1 1 X 74 74 GLY CA C 67 45.450 45.790 -0.340 1
1 819 . 1 1 1 X 74 74 GLY N N 67 108.472 108.194 0.278 1
1 820 . 1 1 1 X 75 75 ASP H H 68 8.307 8.390 -0.083 1
1 821 . 1 1 1 X 75 75 ASP HA H 68 4.646 4.470 0.176 1
1 824 . 1 1 1 X 75 75 ASP C C 68 176.933 177.119 -0.186 1
1 825 . 1 1 1 X 75 75 ASP CA C 68 54.226 56.217 -1.991 1
1 826 . 1 1 1 X 75 75 ASP CB C 68 41.486 40.389 1.097 1
1 827 . 1 1 1 X 75 75 ASP N N 68 119.941 121.518 -1.577 1
1 828 . 1 1 1 X 76 76 GLY H H 69 8.502 9.099 -0.597 1
1 829 . 1 1 1 X 76 76 GLY HA2 H 69 3.966 4.045 -0.079 1
1 830 . 1 1 1 X 76 76 GLY HA3 H 69 3.951 4.046 -0.095 1
1 831 . 1 1 1 X 76 76 GLY C C 69 174.771 174.819 -0.048 1
1 832 . 1 1 1 X 76 76 GLY CA C 69 45.744 44.989 0.755 1
1 833 . 1 1 1 X 76 76 GLY N N 69 109.061 111.138 -2.077 1
1 834 . 1 1 1 X 77 77 GLY H H 70 8.367 8.136 0.231 1
1 835 . 1 1 1 X 77 77 GLY HA2 H 70 4.092 3.970 0.122 1
1 836 . 1 1 1 X 77 77 GLY HA3 H 70 3.920 3.975 -0.055 1
1 837 . 1 1 1 X 77 77 GLY C C 70 174.782 173.873 0.909 1
1 838 . 1 1 1 X 77 77 GLY CA C 70 45.327 46.814 -1.487 1
1 839 . 1 1 1 X 77 77 GLY N N 70 108.393 107.759 0.634 1
1 840 . 1 1 1 X 78 78 GLY H H 71 8.263 7.709 0.554 1
1 841 . 1 1 1 X 78 78 GLY HA2 H 71 4.205 4.089 0.116 1
1 842 . 1 1 1 X 78 78 GLY HA3 H 71 4.092 4.104 -0.012 1
1 843 . 1 1 1 X 78 78 GLY CA C 71 45.581 44.626 0.955 1
1 844 . 1 1 1 X 78 78 GLY N N 71 108.388 111.446 -3.058 1
1 845 . 1 1 1 X 79 79 PRO HA H 72 4.199 4.223 -0.024 1
1 852 . 1 1 1 X 79 79 PRO C C 72 178.000 177.787 0.213 1
1 853 . 1 1 1 X 79 79 PRO CA C 72 65.568 65.100 0.468 1
1 854 . 1 1 1 X 79 79 PRO CB C 72 32.864 31.790 1.074 1
1 857 . 1 1 1 X 80 80 GLU H H 73 9.283 8.541 0.742 1
1 858 . 1 1 1 X 80 80 GLU HA H 73 3.833 4.146 -0.313 1
1 863 . 1 1 1 X 80 80 GLU C C 73 179.587 177.959 1.628 1
1 864 . 1 1 1 X 80 80 GLU CA C 73 61.125 58.497 2.628 1
1 865 . 1 1 1 X 80 80 GLU CB C 73 28.576 29.231 -0.655 1
1 867 . 1 1 1 X 80 80 GLU N N 73 117.078 116.921 0.157 1
1 868 . 1 1 1 X 81 81 GLY H H 74 7.926 8.033 -0.107 1
1 869 . 1 1 1 X 81 81 GLY HA2 H 74 3.964 4.022 -0.058 1
1 870 . 1 1 1 X 81 81 GLY HA3 H 74 3.914 4.038 -0.124 1
1 871 . 1 1 1 X 81 81 GLY C C 74 176.538 175.320 1.218 1
1 872 . 1 1 1 X 81 81 GLY CA C 74 47.084 45.425 1.659 1
1 873 . 1 1 1 X 81 81 GLY N N 74 108.577 108.299 0.278 1
1 874 . 1 1 1 X 82 82 ILE H H 75 7.593 7.697 -0.104 1
1 875 . 1 1 1 X 82 82 ILE HA H 75 3.873 3.908 -0.035 1
1 885 . 1 1 1 X 82 82 ILE C C 75 178.147 178.035 0.112 1
1 886 . 1 1 1 X 82 82 ILE CA C 75 65.342 64.560 0.782 1
1 887 . 1 1 1 X 82 82 ILE CB C 75 38.163 37.895 0.268 1
1 891 . 1 1 1 X 82 82 ILE N N 75 123.572 121.700 1.872 1
1 892 . 1 1 1 X 83 83 VAL H H 76 8.135 7.718 0.417 1
1 893 . 1 1 1 X 83 83 VAL HA H 76 3.575 4.128 -0.553 1
1 901 . 1 1 1 X 83 83 VAL C C 76 177.094 178.274 -1.180 1
1 902 . 1 1 1 X 83 83 VAL CA C 76 68.153 65.582 2.571 1
1 903 . 1 1 1 X 83 83 VAL CB C 76 31.653 31.256 0.397 1
1 906 . 1 1 1 X 83 83 VAL N N 76 118.553 120.960 -2.407 1
1 907 . 1 1 1 X 84 84 LYS H H 77 7.803 8.222 -0.419 1
1 908 . 1 1 1 X 84 84 LYS HA H 77 4.006 4.081 -0.075 1
1 917 . 1 1 1 X 84 84 LYS C C 77 178.064 178.088 -0.024 1
1 918 . 1 1 1 X 84 84 LYS CA C 77 60.516 59.218 1.298 1
1 919 . 1 1 1 X 84 84 LYS CB C 77 32.849 32.212 0.637 1
1 923 . 1 1 1 X 84 84 LYS N N 77 119.572 121.190 -1.618 1
1 924 . 1 1 1 X 85 85 GLU H H 78 7.629 7.851 -0.222 1
1 925 . 1 1 1 X 85 85 GLU HA H 78 4.246 4.241 0.005 1
1 930 . 1 1 1 X 85 85 GLU C C 78 179.834 179.237 0.597 1
1 931 . 1 1 1 X 85 85 GLU CA C 78 59.752 58.916 0.836 1
1 932 . 1 1 1 X 85 85 GLU CB C 78 29.189 29.417 -0.228 1
1 934 . 1 1 1 X 85 85 GLU N N 78 118.366 118.457 -0.091 1
1 935 . 1 1 1 X 86 86 ILE H H 79 8.432 8.210 0.222 1
1 936 . 1 1 1 X 86 86 ILE HA H 79 3.781 3.714 0.067 1
1 946 . 1 1 1 X 86 86 ILE C C 79 177.578 178.042 -0.464 1
1 947 . 1 1 1 X 86 86 ILE CA C 79 65.454 65.414 0.040 1
1 948 . 1 1 1 X 86 86 ILE CB C 79 37.940 37.261 0.679 1
1 952 . 1 1 1 X 86 86 ILE N N 79 118.975 120.684 -1.709 1
1 953 . 1 1 1 X 87 87 LYS H H 80 9.096 8.638 0.458 1
1 954 . 1 1 1 X 87 87 LYS HA H 80 3.958 3.952 0.006 1
1 963 . 1 1 1 X 87 87 LYS C C 80 180.285 178.545 1.740 1
1 964 . 1 1 1 X 87 87 LYS CA C 80 60.290 59.182 1.108 1
1 965 . 1 1 1 X 87 87 LYS CB C 80 33.299 32.317 0.982 1
1 969 . 1 1 1 X 87 87 LYS N N 80 119.805 120.590 -0.785 1
1 970 . 1 1 1 X 88 88 GLU H H 81 8.508 7.955 0.553 1
1 971 . 1 1 1 X 88 88 GLU HA H 81 4.099 4.089 0.010 1
1 976 . 1 1 1 X 88 88 GLU C C 81 179.195 178.900 0.295 1
1 977 . 1 1 1 X 88 88 GLU CA C 81 59.632 59.091 0.541 1
1 978 . 1 1 1 X 88 88 GLU CB C 81 29.649 29.402 0.247 1
1 980 . 1 1 1 X 88 88 GLU N N 81 118.920 119.244 -0.324 1
1 981 . 1 1 1 X 89 89 TRP H H 82 8.682 7.952 0.730 1
1 982 . 1 1 1 X 89 89 TRP HA H 82 4.201 4.291 -0.090 1
1 991 . 1 1 1 X 89 89 TRP C C 82 179.807 177.907 1.900 1
1 992 . 1 1 1 X 89 89 TRP CA C 82 63.110 60.753 2.357 1
1 993 . 1 1 1 X 89 89 TRP CB C 82 29.285 29.750 -0.465 1
1 999 . 1 1 1 X 89 89 TRP N N 82 122.152 121.995 0.157 1
1 1001 . 1 1 1 X 90 90 ARG H H 83 9.025 8.723 0.302 1
1 1002 . 1 1 1 X 90 90 ARG HA H 83 3.295 3.882 -0.587 1
1 1009 . 1 1 1 X 90 90 ARG C C 83 178.120 178.031 0.089 1
1 1010 . 1 1 1 X 90 90 ARG CA C 83 60.895 59.694 1.201 1
1 1011 . 1 1 1 X 90 90 ARG CB C 83 28.668 29.581 -0.913 1
1 1014 . 1 1 1 X 90 90 ARG N N 83 118.380 119.272 -0.892 1
1 1015 . 1 1 1 X 91 91 ALA H H 84 7.759 7.935 -0.176 1
1 1016 . 1 1 1 X 91 91 ALA HA H 84 4.151 4.093 0.058 1
1 1020 . 1 1 1 X 91 91 ALA C C 84 181.466 179.774 1.692 1
1 1021 . 1 1 1 X 91 91 ALA CA C 84 55.217 54.943 0.274 1
1 1022 . 1 1 1 X 91 91 ALA CB C 84 18.175 18.031 0.144 1
1 1023 . 1 1 1 X 91 91 ALA N N 84 120.210 120.541 -0.331 1
1 1024 . 1 1 1 X 92 92 ALA H H 85 7.943 8.273 -0.330 1
1 1025 . 1 1 1 X 92 92 ALA HA H 85 4.081 3.978 0.103 1
1 1029 . 1 1 1 X 92 92 ALA C C 85 178.324 179.284 -0.960 1
1 1030 . 1 1 1 X 92 92 ALA CA C 85 54.244 55.155 -0.911 1
1 1031 . 1 1 1 X 92 92 ALA CB C 85 18.306 17.737 0.569 1
1 1032 . 1 1 1 X 92 92 ALA N N 85 120.470 120.033 0.437 1
1 1033 . 1 1 1 X 93 93 ASN H H 86 7.005 7.988 -0.983 1
1 1034 . 1 1 1 X 93 93 ASN HA H 86 4.475 4.415 0.060 1
1 1039 . 1 1 1 X 93 93 ASN C C 86 174.108 175.312 -1.204 1
1 1040 . 1 1 1 X 93 93 ASN CA C 86 53.347 53.226 0.121 1
1 1041 . 1 1 1 X 93 93 ASN CB C 86 39.379 38.351 1.028 1
1 1043 . 1 1 1 X 93 93 ASN N N 86 113.372 114.057 -0.685 1
1 1045 . 1 1 1 X 94 94 GLY H H 87 7.535 7.731 -0.196 1
1 1046 . 1 1 1 X 94 94 GLY HA2 H 87 3.810 3.801 0.009 1
1 1047 . 1 1 1 X 94 94 GLY HA3 H 87 3.810 3.807 0.003 1
1 1048 . 1 1 1 X 94 94 GLY C C 87 174.481 174.098 0.383 1
1 1049 . 1 1 1 X 94 94 GLY CA C 87 47.230 45.885 1.345 1
1 1050 . 1 1 1 X 94 94 GLY N N 87 108.152 107.627 0.525 1
1 1051 . 1 1 1 X 95 95 LYS H H 88 8.037 8.282 -0.245 1
1 1052 . 1 1 1 X 95 95 LYS HA H 88 4.654 4.710 -0.056 1
1 1061 . 1 1 1 X 95 95 LYS CA C 88 53.357 52.964 0.393 1
1 1062 . 1 1 1 X 95 95 LYS CB C 88 32.741 33.008 -0.267 1
1 1066 . 1 1 1 X 95 95 LYS N N 88 119.147 120.061 -0.914 1
1 1067 . 1 1 1 X 96 96 PRO HA H 89 4.275 4.576 -0.301 1
1 1074 . 1 1 1 X 96 96 PRO C C 89 176.696 176.737 -0.041 1
1 1075 . 1 1 1 X 96 96 PRO CA C 89 63.482 63.078 0.404 1
1 1076 . 1 1 1 X 96 96 PRO CB C 89 32.981 31.906 1.075 1
1 1079 . 1 1 1 X 97 97 GLY H H 90 8.336 8.422 -0.086 1
1 1080 . 1 1 1 X 97 97 GLY HA2 H 90 4.074 3.723 0.351 1
1 1081 . 1 1 1 X 97 97 GLY HA3 H 90 3.615 3.763 -0.148 1
1 1082 . 1 1 1 X 97 97 GLY C C 90 173.388 173.469 -0.081 1
1 1083 . 1 1 1 X 97 97 GLY CA C 90 43.347 44.041 -0.694 1
1 1084 . 1 1 1 X 97 97 GLY N N 90 110.343 108.555 1.788 1
1 1085 . 1 1 1 X 98 98 PHE H H 91 7.749 8.025 -0.276 1
1 1086 . 1 1 1 X 98 98 PHE HA H 91 4.527 4.848 -0.321 1
1 1094 . 1 1 1 X 98 98 PHE C C 91 177.021 175.506 1.515 1
1 1095 . 1 1 1 X 98 98 PHE CA C 91 59.184 58.272 0.912 1
1 1096 . 1 1 1 X 98 98 PHE CB C 91 40.005 39.458 0.547 1
1 1102 . 1 1 1 X 98 98 PHE N N 91 116.151 120.909 -4.758 1
1 1103 . 1 1 1 X 99 99 LYS H H 92 8.531 9.298 -0.767 1
1 1104 . 1 1 1 X 99 99 LYS HA H 92 4.178 4.956 -0.778 1
1 1113 . 1 1 1 X 99 99 LYS C C 92 176.542 175.931 0.611 1
1 1114 . 1 1 1 X 99 99 LYS CA C 92 57.292 54.936 2.356 1
1 1115 . 1 1 1 X 99 99 LYS CB C 92 32.875 34.638 -1.763 1
1 1119 . 1 1 1 X 99 99 LYS N N 92 123.602 119.076 4.526 1
1 1120 . 1 1 1 X 100 100 GLN H H 93 8.633 8.475 0.158 1
1 1121 . 1 1 1 X 100 100 GLN HA H 93 4.297 5.140 -0.843 1
1 1128 . 1 1 1 X 100 100 GLN C C 93 175.318 175.719 -0.401 1
1 1129 . 1 1 1 X 100 100 GLN CA C 93 56.479 54.290 2.189 1
1 1130 . 1 1 1 X 100 100 GLN CB C 93 29.751 31.457 -1.706 1
1 1133 . 1 1 1 X 100 100 GLN N N 93 125.089 119.693 5.396 1
1 12 . 2 1 1 X 10 10 LEU H H 3 8.121 8.602 -0.481 1
1 13 . 2 1 1 X 10 10 LEU HA H 3 4.240 5.356 -1.116 1
1 23 . 2 1 1 X 10 10 LEU C C 3 176.909 176.206 0.703 1
1 24 . 2 1 1 X 10 10 LEU CA C 3 54.748 53.688 1.060 1
1 25 . 2 1 1 X 10 10 LEU CB C 3 41.272 43.204 -1.932 1
1 29 . 2 1 1 X 10 10 LEU N N 3 123.688 123.808 -0.120 1
1 30 . 2 1 1 X 11 11 LYS H H 4 7.677 8.893 -1.216 1
1 31 . 2 1 1 X 11 11 LYS HA H 4 4.404 4.580 -0.176 1
1 40 . 2 1 1 X 11 11 LYS C C 4 176.184 178.045 -1.861 1
1 41 . 2 1 1 X 11 11 LYS CA C 4 55.828 54.517 1.311 1
1 42 . 2 1 1 X 11 11 LYS CB C 4 33.482 34.402 -0.920 1
1 46 . 2 1 1 X 11 11 LYS N N 4 122.221 123.115 -0.894 1
1 47 . 2 1 1 X 12 12 ASN H H 5 8.538 8.977 -0.439 1
1 48 . 2 1 1 X 12 12 ASN HA H 5 4.685 4.613 0.072 1
1 53 . 2 1 1 X 12 12 ASN C C 5 174.925 175.388 -0.463 1
1 54 . 2 1 1 X 12 12 ASN CA C 5 55.721 54.876 0.845 1
1 55 . 2 1 1 X 12 12 ASN CB C 5 40.409 39.627 0.782 1
1 57 . 2 1 1 X 12 12 ASN N N 5 116.610 120.985 -4.375 1
1 59 . 2 1 1 X 13 13 SER H H 6 8.144 7.810 0.334 1
1 60 . 2 1 1 X 13 13 SER HA H 6 4.819 4.837 -0.018 1
1 63 . 2 1 1 X 13 13 SER C C 6 175.123 175.055 0.068 1
1 64 . 2 1 1 X 13 13 SER CA C 6 56.778 55.569 1.209 1
1 65 . 2 1 1 X 13 13 SER CB C 6 65.949 67.161 -1.212 1
1 66 . 2 1 1 X 13 13 SER N N 6 112.138 108.194 3.944 1
1 67 . 2 1 1 X 14 14 ILE H H 7 9.318 8.813 0.505 1
1 68 . 2 1 1 X 14 14 ILE HA H 7 3.966 4.121 -0.155 1
1 78 . 2 1 1 X 14 14 ILE C C 7 175.537 177.599 -2.062 1
1 79 . 2 1 1 X 14 14 ILE CA C 7 64.956 63.865 1.091 1
1 80 . 2 1 1 X 14 14 ILE CB C 7 37.062 37.801 -0.739 1
1 84 . 2 1 1 X 14 14 ILE N N 7 126.034 125.149 0.885 1
1 85 . 2 1 1 X 15 15 SER H H 8 7.504 8.002 -0.498 1
1 86 . 2 1 1 X 15 15 SER HA H 8 4.694 4.493 0.201 1
1 89 . 2 1 1 X 15 15 SER C C 8 174.278 175.041 -0.763 1
1 90 . 2 1 1 X 15 15 SER CA C 8 59.481 60.510 -1.029 1
1 91 . 2 1 1 X 15 15 SER CB C 8 63.241 62.961 0.280 1
1 92 . 2 1 1 X 15 15 SER N N 8 112.517 116.733 -4.216 1
1 93 . 2 1 1 X 16 16 ASP H H 9 7.783 7.681 0.102 1
1 94 . 2 1 1 X 16 16 ASP HA H 9 4.791 4.748 0.043 1
1 97 . 2 1 1 X 16 16 ASP C C 9 175.976 175.915 0.061 1
1 98 . 2 1 1 X 16 16 ASP CA C 9 55.243 53.520 1.723 1
1 99 . 2 1 1 X 16 16 ASP CB C 9 43.327 41.049 2.278 1
1 100 . 2 1 1 X 16 16 ASP N N 9 117.795 120.465 -2.670 1
1 101 . 2 1 1 X 17 17 TYR H H 10 8.279 7.790 0.489 1
1 102 . 2 1 1 X 17 17 TYR HA H 10 4.962 5.097 -0.135 1
1 109 . 2 1 1 X 17 17 TYR C C 10 177.535 176.269 1.266 1
1 110 . 2 1 1 X 17 17 TYR CA C 10 58.573 57.504 1.069 1
1 111 . 2 1 1 X 17 17 TYR CB C 10 41.015 40.178 0.837 1
1 116 . 2 1 1 X 17 17 TYR N N 10 120.484 119.158 1.326 1
1 117 . 2 1 1 X 18 18 THR H H 11 8.796 8.928 -0.132 1
1 118 . 2 1 1 X 18 18 THR HA H 11 5.040 5.282 -0.242 1
1 123 . 2 1 1 X 18 18 THR C C 11 176.099 176.179 -0.080 1
1 124 . 2 1 1 X 18 18 THR CA C 11 60.775 60.578 0.197 1
1 125 . 2 1 1 X 18 18 THR CB C 11 71.041 70.873 0.168 1
1 127 . 2 1 1 X 18 18 THR N N 11 112.143 116.828 -4.685 1
1 128 . 2 1 1 X 19 19 GLU H H 12 9.173 9.015 0.158 1
1 129 . 2 1 1 X 19 19 GLU HA H 12 2.757 3.508 -0.751 1
1 134 . 2 1 1 X 19 19 GLU C C 12 178.378 178.748 -0.370 1
1 135 . 2 1 1 X 19 19 GLU CA C 12 60.906 59.003 1.903 1
1 136 . 2 1 1 X 19 19 GLU CB C 12 29.442 28.783 0.659 1
1 138 . 2 1 1 X 19 19 GLU N N 12 122.386 121.257 1.129 1
1 139 . 2 1 1 X 20 20 ALA H H 13 8.356 8.157 0.199 1
1 140 . 2 1 1 X 20 20 ALA HA H 13 4.069 4.145 -0.076 1
1 144 . 2 1 1 X 20 20 ALA C C 13 181.816 179.583 2.233 1
1 145 . 2 1 1 X 20 20 ALA CA C 13 55.388 55.057 0.331 1
1 146 . 2 1 1 X 20 20 ALA CB C 13 18.308 18.515 -0.207 1
1 147 . 2 1 1 X 20 20 ALA N N 13 118.695 122.221 -3.526 1
1 148 . 2 1 1 X 21 21 GLU H H 14 8.013 8.248 -0.235 1
1 149 . 2 1 1 X 21 21 GLU HA H 14 4.131 4.142 -0.011 1
1 154 . 2 1 1 X 21 21 GLU C C 14 179.649 179.364 0.285 1
1 155 . 2 1 1 X 21 21 GLU CA C 14 58.916 59.028 -0.112 1
1 156 . 2 1 1 X 21 21 GLU CB C 14 31.632 29.598 2.034 1
1 158 . 2 1 1 X 21 21 GLU N N 14 118.978 119.402 -0.424 1
1 159 . 2 1 1 X 22 22 PHE H H 15 8.635 8.441 0.194 1
1 160 . 2 1 1 X 22 22 PHE HA H 15 4.049 4.276 -0.227 1
1 167 . 2 1 1 X 22 22 PHE C C 15 177.402 177.771 -0.369 1
1 168 . 2 1 1 X 22 22 PHE CA C 15 62.183 61.113 1.070 1
1 169 . 2 1 1 X 22 22 PHE CB C 15 40.545 38.928 1.617 1
1 174 . 2 1 1 X 22 22 PHE N N 15 124.639 122.185 2.454 1
1 175 . 2 1 1 X 23 23 VAL H H 16 8.647 8.432 0.215 1
1 176 . 2 1 1 X 23 23 VAL HA H 16 3.416 3.774 -0.358 1
1 184 . 2 1 1 X 23 23 VAL C C 16 177.798 177.724 0.074 1
1 185 . 2 1 1 X 23 23 VAL CA C 16 67.917 66.680 1.237 1
1 186 . 2 1 1 X 23 23 VAL CB C 16 31.579 31.011 0.568 1
1 189 . 2 1 1 X 23 23 VAL N N 16 119.817 118.566 1.251 1
1 190 . 2 1 1 X 24 24 GLN H H 17 7.569 8.066 -0.497 1
1 191 . 2 1 1 X 24 24 GLN HA H 17 3.943 4.008 -0.065 1
1 198 . 2 1 1 X 24 24 GLN C C 17 178.313 178.167 0.146 1
1 199 . 2 1 1 X 24 24 GLN CA C 17 59.289 59.220 0.069 1
1 200 . 2 1 1 X 24 24 GLN CB C 17 27.814 28.100 -0.286 1
1 203 . 2 1 1 X 24 24 GLN N N 17 117.658 121.271 -3.613 1
1 205 . 2 1 1 X 25 25 LEU H H 18 7.512 7.572 -0.060 1
1 206 . 2 1 1 X 25 25 LEU HA H 18 4.136 3.987 0.149 1
1 216 . 2 1 1 X 25 25 LEU C C 18 178.440 178.046 0.394 1
1 217 . 2 1 1 X 25 25 LEU CA C 18 58.651 58.098 0.553 1
1 218 . 2 1 1 X 25 25 LEU CB C 18 40.626 41.139 -0.513 1
1 222 . 2 1 1 X 25 25 LEU N N 18 122.037 120.754 1.283 1
1 223 . 2 1 1 X 26 26 LEU H H 19 7.761 8.235 -0.474 1
1 224 . 2 1 1 X 26 26 LEU HA H 19 3.748 3.583 0.165 1
1 234 . 2 1 1 X 26 26 LEU C C 19 180.080 179.152 0.928 1
1 235 . 2 1 1 X 26 26 LEU CA C 19 58.041 57.924 0.117 1
1 236 . 2 1 1 X 26 26 LEU CB C 19 41.009 41.231 -0.222 1
1 240 . 2 1 1 X 26 26 LEU N N 19 118.502 118.226 0.276 1
1 241 . 2 1 1 X 27 27 LYS H H 20 8.357 8.437 -0.080 1
1 242 . 2 1 1 X 27 27 LYS HA H 20 4.019 3.769 0.250 1
1 251 . 2 1 1 X 27 27 LYS C C 20 179.559 179.783 -0.224 1
1 252 . 2 1 1 X 27 27 LYS CA C 20 59.648 60.389 -0.741 1
1 253 . 2 1 1 X 27 27 LYS CB C 20 31.995 32.157 -0.162 1
1 257 . 2 1 1 X 27 27 LYS N N 20 120.427 117.913 2.514 1
1 258 . 2 1 1 X 28 28 GLU H H 21 8.123 8.009 0.114 1
1 259 . 2 1 1 X 28 28 GLU HA H 21 4.082 3.988 0.094 1
1 264 . 2 1 1 X 28 28 GLU C C 21 179.063 179.390 -0.327 1
1 265 . 2 1 1 X 28 28 GLU CA C 21 59.406 59.045 0.361 1
1 266 . 2 1 1 X 28 28 GLU CB C 21 29.146 29.447 -0.301 1
1 268 . 2 1 1 X 28 28 GLU N N 21 122.374 120.124 2.250 1
1 269 . 2 1 1 X 29 29 ILE H H 22 8.049 8.570 -0.521 1
1 270 . 2 1 1 X 29 29 ILE HA H 22 3.343 3.534 -0.191 1
1 280 . 2 1 1 X 29 29 ILE C C 22 177.151 177.816 -0.665 1
1 281 . 2 1 1 X 29 29 ILE CA C 22 66.435 65.777 0.658 1
1 282 . 2 1 1 X 29 29 ILE CB C 22 37.954 37.518 0.436 1
1 286 . 2 1 1 X 29 29 ILE N N 22 120.195 121.218 -1.023 1
1 287 . 2 1 1 X 30 30 GLU H H 23 7.820 8.146 -0.326 1
1 288 . 2 1 1 X 30 30 GLU HA H 23 3.983 3.760 0.223 1
1 293 . 2 1 1 X 30 30 GLU C C 23 178.990 179.124 -0.134 1
1 294 . 2 1 1 X 30 30 GLU CA C 23 59.460 59.805 -0.345 1
1 295 . 2 1 1 X 30 30 GLU CB C 23 30.012 29.385 0.627 1
1 297 . 2 1 1 X 30 30 GLU N N 23 118.917 118.680 0.237 1
1 298 . 2 1 1 X 31 31 LYS H H 24 7.678 7.706 -0.028 1
1 299 . 2 1 1 X 31 31 LYS HA H 24 4.059 3.938 0.121 1
1 308 . 2 1 1 X 31 31 LYS C C 24 179.231 178.880 0.351 1
1 309 . 2 1 1 X 31 31 LYS CA C 24 59.152 59.771 -0.619 1
1 310 . 2 1 1 X 31 31 LYS CB C 24 32.712 32.460 0.252 1
1 314 . 2 1 1 X 31 31 LYS N N 24 118.807 119.858 -1.051 1
1 315 . 2 1 1 X 32 32 GLU H H 25 8.182 7.915 0.267 1
1 316 . 2 1 1 X 32 32 GLU HA H 25 4.309 4.089 0.220 1
1 321 . 2 1 1 X 32 32 GLU C C 25 177.897 179.005 -1.108 1
1 322 . 2 1 1 X 32 32 GLU CA C 25 57.449 59.070 -1.621 1
1 323 . 2 1 1 X 32 32 GLU CB C 25 29.522 29.375 0.147 1
1 325 . 2 1 1 X 32 32 GLU N N 25 118.578 117.578 1.000 1
1 326 . 2 1 1 X 33 33 ASN H H 26 8.343 8.402 -0.059 1
1 327 . 2 1 1 X 33 33 ASN HA H 26 4.608 4.441 0.167 1
1 330 . 2 1 1 X 33 33 ASN C C 26 176.524 177.248 -0.724 1
1 331 . 2 1 1 X 33 33 ASN CA C 26 55.463 56.253 -0.790 1
1 332 . 2 1 1 X 33 33 ASN CB C 26 39.074 38.780 0.294 1
1 333 . 2 1 1 X 33 33 ASN N N 26 118.483 118.907 -0.424 1
1 334 . 2 1 1 X 34 34 VAL H H 27 7.434 7.877 -0.443 1
1 335 . 2 1 1 X 34 34 VAL HA H 27 4.182 3.941 0.241 1
1 343 . 2 1 1 X 34 34 VAL C C 27 176.315 177.532 -1.217 1
1 344 . 2 1 1 X 34 34 VAL CA C 27 62.829 63.947 -1.118 1
1 345 . 2 1 1 X 34 34 VAL CB C 27 32.178 31.108 1.070 1
1 348 . 2 1 1 X 34 34 VAL N N 27 114.036 116.326 -2.290 1
1 349 . 2 1 1 X 35 35 ALA H H 28 7.648 7.662 -0.014 1
1 350 . 2 1 1 X 35 35 ALA HA H 28 4.346 4.278 0.068 1
1 354 . 2 1 1 X 35 35 ALA C C 28 177.126 176.811 0.315 1
1 355 . 2 1 1 X 35 35 ALA CA C 28 52.712 52.513 0.199 1
1 356 . 2 1 1 X 35 35 ALA CB C 28 19.915 19.522 0.393 1
1 357 . 2 1 1 X 35 35 ALA N N 28 124.066 123.433 0.633 1
1 358 . 2 1 1 X 36 36 ALA H H 29 8.337 7.913 0.424 1
1 359 . 2 1 1 X 36 36 ALA HA H 29 4.260 3.980 0.280 1
1 363 . 2 1 1 X 36 36 ALA C C 29 177.999 176.291 1.708 1
1 364 . 2 1 1 X 36 36 ALA CA C 29 53.660 52.730 0.930 1
1 365 . 2 1 1 X 36 36 ALA CB C 29 19.175 17.691 1.484 1
1 366 . 2 1 1 X 36 36 ALA N N 29 121.695 119.712 1.983 1
1 367 . 2 1 1 X 37 37 THR H H 30 8.093 7.995 0.098 1
1 368 . 2 1 1 X 37 37 THR HA H 30 4.533 4.752 -0.219 1
1 373 . 2 1 1 X 37 37 THR C C 30 174.715 173.594 1.121 1
1 374 . 2 1 1 X 37 37 THR CA C 30 60.860 60.712 0.148 1
1 375 . 2 1 1 X 37 37 THR CB C 30 70.424 69.344 1.080 1
1 377 . 2 1 1 X 37 37 THR N N 30 110.112 109.210 0.902 1
1 378 . 2 1 1 X 38 38 ASP H H 31 8.488 8.869 -0.381 1
1 379 . 2 1 1 X 38 38 ASP HA H 31 4.685 4.778 -0.093 1
1 382 . 2 1 1 X 38 38 ASP C C 31 175.896 177.269 -1.373 1
1 383 . 2 1 1 X 38 38 ASP CA C 31 54.704 55.796 -1.092 1
1 384 . 2 1 1 X 38 38 ASP CB C 31 41.389 42.080 -0.691 1
1 385 . 2 1 1 X 38 38 ASP N N 31 121.899 120.346 1.553 1
1 386 . 2 1 1 X 39 39 ASP H H 32 8.368 8.241 0.127 1
1 387 . 2 1 1 X 39 39 ASP HA H 32 4.459 4.392 0.067 1
1 390 . 2 1 1 X 39 39 ASP C C 32 177.499 178.312 -0.813 1
1 391 . 2 1 1 X 39 39 ASP CA C 32 56.443 57.278 -0.835 1
1 392 . 2 1 1 X 39 39 ASP CB C 32 40.737 41.474 -0.737 1
1 393 . 2 1 1 X 39 39 ASP N N 32 118.770 119.727 -0.957 1
1 394 . 2 1 1 X 40 40 VAL H H 33 7.963 7.981 -0.018 1
1 395 . 2 1 1 X 40 40 VAL HA H 33 3.800 3.875 -0.075 1
1 403 . 2 1 1 X 40 40 VAL C C 33 177.362 177.401 -0.039 1
1 404 . 2 1 1 X 40 40 VAL CA C 33 64.970 64.738 0.232 1
1 405 . 2 1 1 X 40 40 VAL CB C 33 32.256 31.591 0.665 1
1 408 . 2 1 1 X 40 40 VAL N N 33 119.409 118.077 1.332 1
1 409 . 2 1 1 X 41 41 LEU H H 34 8.508 8.066 0.442 1
1 410 . 2 1 1 X 41 41 LEU HA H 34 3.857 3.894 -0.037 1
1 420 . 2 1 1 X 41 41 LEU C C 34 177.633 178.046 -0.413 1
1 421 . 2 1 1 X 41 41 LEU CA C 34 58.428 58.537 -0.109 1
1 422 . 2 1 1 X 41 41 LEU CB C 34 41.755 41.512 0.243 1
1 426 . 2 1 1 X 41 41 LEU N N 34 122.150 122.364 -0.214 1
1 427 . 2 1 1 X 42 42 ASP H H 35 8.236 8.275 -0.039 1
1 428 . 2 1 1 X 42 42 ASP HA H 35 4.370 4.515 -0.145 1
1 431 . 2 1 1 X 42 42 ASP C C 35 179.155 178.641 0.514 1
1 432 . 2 1 1 X 42 42 ASP CA C 35 57.925 56.654 1.271 1
1 433 . 2 1 1 X 42 42 ASP CB C 35 40.417 40.865 -0.448 1
1 434 . 2 1 1 X 42 42 ASP N N 35 116.374 118.340 -1.966 1
1 435 . 2 1 1 X 43 43 VAL H H 36 7.320 7.536 -0.216 1
1 436 . 2 1 1 X 43 43 VAL HA H 36 3.782 3.682 0.100 1
1 444 . 2 1 1 X 43 43 VAL C C 36 179.309 178.102 1.207 1
1 445 . 2 1 1 X 43 43 VAL CA C 36 66.080 66.504 -0.424 1
1 446 . 2 1 1 X 43 43 VAL CB C 36 32.245 31.723 0.522 1
1 449 . 2 1 1 X 43 43 VAL N N 36 119.754 121.530 -1.776 1
1 450 . 2 1 1 X 44 44 LEU H H 37 8.122 8.529 -0.407 1
1 451 . 2 1 1 X 44 44 LEU HA H 37 4.008 4.051 -0.043 1
1 461 . 2 1 1 X 44 44 LEU C C 37 179.518 179.346 0.172 1
1 462 . 2 1 1 X 44 44 LEU CA C 37 58.048 57.792 0.256 1
1 463 . 2 1 1 X 44 44 LEU CB C 37 42.374 41.589 0.785 1
1 467 . 2 1 1 X 44 44 LEU N N 37 120.608 118.760 1.848 1
1 468 . 2 1 1 X 45 45 LEU H H 38 8.898 8.434 0.464 1
1 469 . 2 1 1 X 45 45 LEU HA H 38 4.030 3.949 0.081 1
1 479 . 2 1 1 X 45 45 LEU C C 38 179.166 179.553 -0.387 1
1 480 . 2 1 1 X 45 45 LEU CA C 38 58.184 58.230 -0.046 1
1 481 . 2 1 1 X 45 45 LEU CB C 38 41.506 41.579 -0.073 1
1 485 . 2 1 1 X 45 45 LEU N N 38 119.199 118.714 0.485 1
1 486 . 2 1 1 X 46 46 GLU H H 39 7.964 7.906 0.058 1
1 487 . 2 1 1 X 46 46 GLU HA H 39 4.066 4.061 0.005 1
1 492 . 2 1 1 X 46 46 GLU C C 39 178.995 179.015 -0.020 1
1 493 . 2 1 1 X 46 46 GLU CA C 39 59.769 59.581 0.188 1
1 494 . 2 1 1 X 46 46 GLU CB C 39 29.577 29.312 0.265 1
1 496 . 2 1 1 X 46 46 GLU N N 39 119.334 118.291 1.043 1
1 497 . 2 1 1 X 47 47 HIS H H 40 8.009 8.746 -0.737 1
1 498 . 2 1 1 X 47 47 HIS HA H 40 4.416 4.387 0.029 1
1 503 . 2 1 1 X 47 47 HIS C C 40 176.115 176.928 -0.813 1
1 504 . 2 1 1 X 47 47 HIS CA C 40 60.151 58.832 1.319 1
1 505 . 2 1 1 X 47 47 HIS CB C 40 30.389 30.528 -0.139 1
1 508 . 2 1 1 X 47 47 HIS N N 40 119.610 119.908 -0.298 1
1 509 . 2 1 1 X 48 48 PHE H H 41 8.711 8.563 0.148 1
1 510 . 2 1 1 X 48 48 PHE HA H 41 3.808 4.203 -0.395 1
1 518 . 2 1 1 X 48 48 PHE C C 41 178.023 177.347 0.676 1
1 519 . 2 1 1 X 48 48 PHE CA C 41 62.654 61.410 1.244 1
1 520 . 2 1 1 X 48 48 PHE CB C 41 39.408 39.190 0.218 1
1 526 . 2 1 1 X 48 48 PHE N N 41 118.110 120.250 -2.140 1
1 527 . 2 1 1 X 49 49 VAL H H 42 8.439 8.096 0.343 1
1 528 . 2 1 1 X 49 49 VAL HA H 42 3.359 3.853 -0.494 1
1 536 . 2 1 1 X 49 49 VAL C C 42 178.340 177.537 0.803 1
1 537 . 2 1 1 X 49 49 VAL CA C 42 67.276 64.427 2.849 1
1 538 . 2 1 1 X 49 49 VAL CB C 42 32.235 31.397 0.838 1
1 541 . 2 1 1 X 49 49 VAL N N 42 121.301 118.698 2.603 1
1 542 . 2 1 1 X 50 50 LYS H H 43 8.091 8.700 -0.609 1
1 543 . 2 1 1 X 50 50 LYS HA H 43 3.973 4.021 -0.048 1
1 552 . 2 1 1 X 50 50 LYS C C 43 178.985 178.183 0.802 1
1 553 . 2 1 1 X 50 50 LYS CA C 43 59.580 58.941 0.639 1
1 554 . 2 1 1 X 50 50 LYS CB C 43 32.784 31.757 1.027 1
1 558 . 2 1 1 X 50 50 LYS N N 43 120.887 119.832 1.055 1
1 559 . 2 1 1 X 51 51 ILE H H 44 8.347 7.273 1.074 1
1 560 . 2 1 1 X 51 51 ILE HA H 44 4.159 3.865 0.294 1
1 570 . 2 1 1 X 51 51 ILE C C 44 178.121 177.922 0.199 1
1 571 . 2 1 1 X 51 51 ILE CA C 44 62.328 64.172 -1.844 1
1 572 . 2 1 1 X 51 51 ILE CB C 44 37.576 37.504 0.072 1
1 576 . 2 1 1 X 51 51 ILE N N 44 111.354 117.100 -5.746 1
1 577 . 2 1 1 X 52 52 THR H H 45 7.588 7.595 -0.007 1
1 578 . 2 1 1 X 52 52 THR HA H 45 3.683 4.041 -0.358 1
1 583 . 2 1 1 X 52 52 THR C C 45 176.285 175.268 1.017 1
1 584 . 2 1 1 X 52 52 THR CA C 45 65.803 63.301 2.502 1
1 585 . 2 1 1 X 52 52 THR CB C 45 69.689 69.773 -0.084 1
1 587 . 2 1 1 X 52 52 THR N N 45 109.646 112.588 -2.942 1
1 588 . 2 1 1 X 53 53 GLU H H 46 7.366 7.926 -0.560 1
1 589 . 2 1 1 X 53 53 GLU HA H 46 3.836 4.134 -0.298 1
1 594 . 2 1 1 X 53 53 GLU C C 46 173.418 174.876 -1.458 1
1 595 . 2 1 1 X 53 53 GLU CA C 46 57.709 57.486 0.223 1
1 596 . 2 1 1 X 53 53 GLU CB C 46 29.067 27.326 1.741 1
1 598 . 2 1 1 X 53 53 GLU N N 46 112.606 113.757 -1.151 1
1 599 . 2 1 1 X 54 54 HIS H H 47 7.127 7.135 -0.008 1
1 600 . 2 1 1 X 54 54 HIS HA H 47 3.070 3.241 -0.171 1
1 605 . 2 1 1 X 54 54 HIS CA C 47 55.826 54.828 0.998 1
1 606 . 2 1 1 X 54 54 HIS CB C 47 32.124 30.795 1.329 1
1 609 . 2 1 1 X 54 54 HIS N N 47 119.651 119.826 -0.175 1
1 610 . 2 1 1 X 55 55 PRO HA H 48 4.143 4.457 -0.314 1
1 617 . 2 1 1 X 55 55 PRO CA C 48 64.843 64.154 0.689 1
1 618 . 2 1 1 X 55 55 PRO CB C 48 32.350 31.595 0.755 1
1 621 . 2 1 1 X 56 56 ASP H H 49 10.605 7.779 2.826 1
1 622 . 2 1 1 X 56 56 ASP HA H 49 4.712 5.105 -0.393 1
1 625 . 2 1 1 X 56 56 ASP C C 49 178.187 177.393 0.794 1
1 626 . 2 1 1 X 56 56 ASP CA C 49 54.989 53.827 1.162 1
1 627 . 2 1 1 X 56 56 ASP CB C 49 40.657 42.173 -1.516 1
1 628 . 2 1 1 X 56 56 ASP N N 49 121.022 118.393 2.629 1
1 629 . 2 1 1 X 57 57 GLY H H 50 8.011 8.110 -0.099 1
1 630 . 2 1 1 X 57 57 GLY HA2 H 50 4.122 3.905 0.217 1
1 631 . 2 1 1 X 57 57 GLY HA3 H 50 3.701 3.923 -0.222 1
1 632 . 2 1 1 X 57 57 GLY C C 50 175.337 175.821 -0.484 1
1 633 . 2 1 1 X 57 57 GLY CA C 50 47.435 47.519 -0.084 1
1 634 . 2 1 1 X 57 57 GLY N N 50 108.190 109.297 -1.107 1
1 635 . 2 1 1 X 58 58 THR H H 51 9.047 8.246 0.801 1
1 636 . 2 1 1 X 58 58 THR HA H 51 3.730 4.201 -0.471 1
1 641 . 2 1 1 X 58 58 THR C C 51 176.082 176.299 -0.217 1
1 642 . 2 1 1 X 58 58 THR CA C 51 64.795 65.285 -0.490 1
1 643 . 2 1 1 X 58 58 THR CB C 51 68.398 68.865 -0.467 1
1 645 . 2 1 1 X 58 58 THR N N 51 114.996 117.284 -2.288 1
1 646 . 2 1 1 X 59 59 ALA H H 52 8.142 8.162 -0.020 1
1 647 . 2 1 1 X 59 59 ALA HA H 52 4.205 4.226 -0.021 1
1 651 . 2 1 1 X 59 59 ALA C C 52 179.373 179.996 -0.623 1
1 652 . 2 1 1 X 59 59 ALA CA C 52 55.625 55.230 0.395 1
1 653 . 2 1 1 X 59 59 ALA CB C 52 18.416 18.157 0.259 1
1 654 . 2 1 1 X 59 59 ALA N N 52 125.565 123.743 1.822 1
1 655 . 2 1 1 X 60 60 LEU H H 53 7.399 8.211 -0.812 1
1 656 . 2 1 1 X 60 60 LEU HA H 53 3.835 3.931 -0.096 1
1 666 . 2 1 1 X 60 60 LEU C C 53 178.601 179.095 -0.494 1
1 667 . 2 1 1 X 60 60 LEU CA C 53 58.031 58.186 -0.155 1
1 668 . 2 1 1 X 60 60 LEU CB C 53 43.487 41.552 1.935 1
1 672 . 2 1 1 X 60 60 LEU N N 53 114.763 118.005 -3.242 1
1 673 . 2 1 1 X 61 61 ILE H H 54 6.855 7.583 -0.728 1
1 674 . 2 1 1 X 61 61 ILE HA H 54 3.518 3.352 0.166 1
1 684 . 2 1 1 X 61 61 ILE C C 54 178.595 177.797 0.798 1
1 685 . 2 1 1 X 61 61 ILE CA C 54 62.989 64.999 -2.010 1
1 686 . 2 1 1 X 61 61 ILE CB C 54 38.424 37.348 1.076 1
1 690 . 2 1 1 X 61 61 ILE N N 54 114.394 120.145 -5.751 1
1 691 . 2 1 1 X 62 62 TYR H H 55 7.489 8.191 -0.702 1
1 692 . 2 1 1 X 62 62 TYR HA H 55 4.243 4.399 -0.156 1
1 699 . 2 1 1 X 62 62 TYR C C 55 178.634 178.795 -0.161 1
1 700 . 2 1 1 X 62 62 TYR CA C 55 61.518 60.484 1.034 1
1 701 . 2 1 1 X 62 62 TYR CB C 55 37.566 37.883 -0.317 1
1 706 . 2 1 1 X 62 62 TYR N N 55 117.898 119.303 -1.405 1
1 707 . 2 1 1 X 63 63 GLU H H 56 8.659 8.936 -0.277 1
1 708 . 2 1 1 X 63 63 GLU HA H 56 4.441 4.125 0.316 1
1 713 . 2 1 1 X 63 63 GLU C C 56 177.785 178.900 -1.115 1
1 714 . 2 1 1 X 63 63 GLU CA C 56 57.658 59.392 -1.734 1
1 715 . 2 1 1 X 63 63 GLU CB C 56 29.034 29.159 -0.125 1
1 717 . 2 1 1 X 63 63 GLU N N 56 119.392 117.678 1.714 1
1 718 . 2 1 1 X 64 64 ALA H H 57 7.164 8.269 -1.105 1
1 719 . 2 1 1 X 64 64 ALA HA H 57 4.021 4.110 -0.089 1
1 723 . 2 1 1 X 64 64 ALA C C 57 180.327 179.989 0.338 1
1 724 . 2 1 1 X 64 64 ALA CA C 57 55.759 54.926 0.833 1
1 725 . 2 1 1 X 64 64 ALA CB C 57 18.615 18.186 0.429 1
1 726 . 2 1 1 X 64 64 ALA N N 57 121.778 122.333 -0.555 1
1 727 . 2 1 1 X 65 65 ALA H H 58 8.076 8.494 -0.418 1
1 728 . 2 1 1 X 65 65 ALA HA H 58 4.137 3.948 0.189 1
1 732 . 2 1 1 X 65 65 ALA C C 58 180.248 179.601 0.647 1
1 733 . 2 1 1 X 65 65 ALA CA C 58 55.104 54.972 0.132 1
1 734 . 2 1 1 X 65 65 ALA CB C 58 18.071 18.126 -0.055 1
1 735 . 2 1 1 X 65 65 ALA N N 58 120.307 119.879 0.428 1
1 736 . 2 1 1 X 66 66 ALA H H 59 7.893 7.525 0.368 1
1 737 . 2 1 1 X 66 66 ALA HA H 59 4.170 4.050 0.120 1
1 741 . 2 1 1 X 66 66 ALA C C 59 180.838 179.435 1.403 1
1 742 . 2 1 1 X 66 66 ALA CA C 59 54.800 55.078 -0.278 1
1 743 . 2 1 1 X 66 66 ALA CB C 59 18.184 18.059 0.125 1
1 744 . 2 1 1 X 66 66 ALA N N 59 122.126 120.547 1.579 1
1 745 . 2 1 1 X 67 67 ARG H H 60 8.139 8.841 -0.702 1
1 746 . 2 1 1 X 67 67 ARG HA H 60 4.065 3.937 0.128 1
1 753 . 2 1 1 X 67 67 ARG C C 60 178.779 178.243 0.536 1
1 754 . 2 1 1 X 67 67 ARG CA C 60 59.282 59.655 -0.373 1
1 755 . 2 1 1 X 67 67 ARG CB C 60 30.863 30.190 0.673 1
1 758 . 2 1 1 X 67 67 ARG N N 60 118.948 118.025 0.923 1
1 759 . 2 1 1 X 68 68 ALA H H 61 7.891 8.549 -0.658 1
1 760 . 2 1 1 X 68 68 ALA HA H 61 4.141 4.124 0.017 1
1 764 . 2 1 1 X 68 68 ALA C C 61 179.329 179.775 -0.446 1
1 765 . 2 1 1 X 68 68 ALA CA C 61 54.340 54.760 -0.420 1
1 766 . 2 1 1 X 68 68 ALA CB C 61 18.528 18.353 0.175 1
1 767 . 2 1 1 X 68 68 ALA N N 61 121.473 122.026 -0.553 1
1 768 . 2 1 1 X 69 69 ALA H H 62 7.663 8.066 -0.403 1
1 769 . 2 1 1 X 69 69 ALA HA H 62 4.133 4.076 0.057 1
1 773 . 2 1 1 X 69 69 ALA C C 62 178.591 179.521 -0.930 1
1 774 . 2 1 1 X 69 69 ALA CA C 62 53.863 55.019 -1.156 1
1 775 . 2 1 1 X 69 69 ALA CB C 62 18.438 18.650 -0.212 1
1 776 . 2 1 1 X 69 69 ALA N N 62 118.937 120.439 -1.502 1
1 777 . 2 1 1 X 70 70 ALA H H 63 7.488 7.982 -0.494 1
1 778 . 2 1 1 X 70 70 ALA HA H 63 4.280 4.195 0.085 1
1 782 . 2 1 1 X 70 70 ALA C C 63 177.318 177.638 -0.320 1
1 783 . 2 1 1 X 70 70 ALA CA C 63 52.981 54.281 -1.300 1
1 784 . 2 1 1 X 70 70 ALA CB C 63 19.324 19.453 -0.129 1
1 785 . 2 1 1 X 70 70 ALA N N 63 118.642 117.568 1.074 1
1 786 . 2 1 1 X 71 71 ASN H H 64 7.631 8.198 -0.567 1
1 787 . 2 1 1 X 71 71 ASN HA H 64 5.077 4.591 0.486 1
1 792 . 2 1 1 X 71 71 ASN CA C 64 50.877 53.923 -3.046 1
1 793 . 2 1 1 X 71 71 ASN CB C 64 39.243 36.862 2.381 1
1 795 . 2 1 1 X 71 71 ASN N N 64 116.008 115.726 0.282 1
1 797 . 2 1 1 X 72 72 PRO HA H 65 4.468 4.477 -0.009 1
1 804 . 2 1 1 X 72 72 PRO CA C 65 64.454 63.699 0.755 1
1 805 . 2 1 1 X 72 72 PRO CB C 65 32.007 32.103 -0.096 1
1 808 . 2 1 1 X 73 73 GLY H H 66 8.608 7.889 0.719 1
1 809 . 2 1 1 X 73 73 GLY HA2 H 66 3.978 4.014 -0.036 1
1 810 . 2 1 1 X 73 73 GLY HA3 H 66 3.978 4.016 -0.038 1
1 811 . 2 1 1 X 73 73 GLY C C 66 175.054 174.066 0.988 1
1 812 . 2 1 1 X 73 73 GLY CA C 66 45.521 43.943 1.578 1
1 813 . 2 1 1 X 73 73 GLY N N 66 109.435 109.425 0.010 1
1 814 . 2 1 1 X 74 74 GLY H H 67 8.085 8.595 -0.510 1
1 815 . 2 1 1 X 74 74 GLY HA2 H 67 4.132 3.862 0.270 1
1 816 . 2 1 1 X 74 74 GLY HA3 H 67 3.896 3.864 0.032 1
1 817 . 2 1 1 X 74 74 GLY C C 67 174.008 174.431 -0.423 1
1 818 . 2 1 1 X 74 74 GLY CA C 67 45.450 47.244 -1.794 1
1 819 . 2 1 1 X 74 74 GLY N N 67 108.472 108.587 -0.115 1
1 820 . 2 1 1 X 75 75 ASP H H 68 8.307 8.803 -0.496 1
1 821 . 2 1 1 X 75 75 ASP HA H 68 4.646 4.804 -0.158 1
1 824 . 2 1 1 X 75 75 ASP C C 68 176.933 178.379 -1.446 1
1 825 . 2 1 1 X 75 75 ASP CA C 68 54.226 53.921 0.305 1
1 826 . 2 1 1 X 75 75 ASP CB C 68 41.486 42.891 -1.405 1
1 827 . 2 1 1 X 75 75 ASP N N 68 119.941 125.270 -5.329 1
1 828 . 2 1 1 X 76 76 GLY H H 69 8.502 8.155 0.347 1
1 829 . 2 1 1 X 76 76 GLY HA2 H 69 3.966 3.954 0.012 1
1 830 . 2 1 1 X 76 76 GLY HA3 H 69 3.951 3.957 -0.006 1
1 831 . 2 1 1 X 76 76 GLY C C 69 174.771 174.751 0.020 1
1 832 . 2 1 1 X 76 76 GLY CA C 69 45.744 46.242 -0.498 1
1 833 . 2 1 1 X 76 76 GLY N N 69 109.061 108.099 0.962 1
1 834 . 2 1 1 X 77 77 GLY H H 70 8.367 7.622 0.745 1
1 835 . 2 1 1 X 77 77 GLY HA2 H 70 4.092 3.947 0.145 1
1 836 . 2 1 1 X 77 77 GLY HA3 H 70 3.920 3.949 -0.029 1
1 837 . 2 1 1 X 77 77 GLY C C 70 174.782 174.057 0.725 1
1 838 . 2 1 1 X 77 77 GLY CA C 70 45.327 45.507 -0.180 1
1 839 . 2 1 1 X 77 77 GLY N N 70 108.393 108.476 -0.083 1
1 840 . 2 1 1 X 78 78 GLY H H 71 8.263 7.472 0.791 1
1 841 . 2 1 1 X 78 78 GLY HA2 H 71 4.205 4.078 0.127 1
1 842 . 2 1 1 X 78 78 GLY HA3 H 71 4.092 4.085 0.007 1
1 843 . 2 1 1 X 78 78 GLY CA C 71 45.581 45.367 0.214 1
1 844 . 2 1 1 X 78 78 GLY N N 71 108.388 107.674 0.714 1
1 845 . 2 1 1 X 79 79 PRO HA H 72 4.199 4.342 -0.143 1
1 852 . 2 1 1 X 79 79 PRO C C 72 178.000 177.791 0.209 1
1 853 . 2 1 1 X 79 79 PRO CA C 72 65.568 64.485 1.083 1
1 854 . 2 1 1 X 79 79 PRO CB C 72 32.864 31.848 1.016 1
1 857 . 2 1 1 X 80 80 GLU H H 73 9.283 8.571 0.712 1
1 858 . 2 1 1 X 80 80 GLU HA H 73 3.833 4.171 -0.338 1
1 863 . 2 1 1 X 80 80 GLU C C 73 179.587 177.862 1.725 1
1 864 . 2 1 1 X 80 80 GLU CA C 73 61.125 58.550 2.575 1
1 865 . 2 1 1 X 80 80 GLU CB C 73 28.576 29.203 -0.627 1
1 867 . 2 1 1 X 80 80 GLU N N 73 117.078 116.437 0.641 1
1 868 . 2 1 1 X 81 81 GLY H H 74 7.926 7.707 0.219 1
1 869 . 2 1 1 X 81 81 GLY HA2 H 74 3.964 4.014 -0.050 1
1 870 . 2 1 1 X 81 81 GLY HA3 H 74 3.914 4.023 -0.109 1
1 871 . 2 1 1 X 81 81 GLY C C 74 176.538 175.424 1.114 1
1 872 . 2 1 1 X 81 81 GLY CA C 74 47.084 45.502 1.582 1
1 873 . 2 1 1 X 81 81 GLY N N 74 108.577 108.377 0.200 1
1 874 . 2 1 1 X 82 82 ILE H H 75 7.593 7.746 -0.153 1
1 875 . 2 1 1 X 82 82 ILE HA H 75 3.873 3.854 0.019 1
1 885 . 2 1 1 X 82 82 ILE C C 75 178.147 178.222 -0.075 1
1 886 . 2 1 1 X 82 82 ILE CA C 75 65.342 64.804 0.538 1
1 887 . 2 1 1 X 82 82 ILE CB C 75 38.163 37.753 0.410 1
1 891 . 2 1 1 X 82 82 ILE N N 75 123.572 122.684 0.888 1
1 892 . 2 1 1 X 83 83 VAL H H 76 8.135 7.676 0.459 1
1 893 . 2 1 1 X 83 83 VAL HA H 76 3.575 4.095 -0.520 1
1 901 . 2 1 1 X 83 83 VAL C C 76 177.094 178.074 -0.980 1
1 902 . 2 1 1 X 83 83 VAL CA C 76 68.153 65.702 2.451 1
1 903 . 2 1 1 X 83 83 VAL CB C 76 31.653 31.479 0.174 1
1 906 . 2 1 1 X 83 83 VAL N N 76 118.553 121.183 -2.630 1
1 907 . 2 1 1 X 84 84 LYS H H 77 7.803 8.120 -0.317 1
1 908 . 2 1 1 X 84 84 LYS HA H 77 4.006 4.068 -0.062 1
1 917 . 2 1 1 X 84 84 LYS C C 77 178.064 178.874 -0.810 1
1 918 . 2 1 1 X 84 84 LYS CA C 77 60.516 59.331 1.185 1
1 919 . 2 1 1 X 84 84 LYS CB C 77 32.849 32.371 0.478 1
1 923 . 2 1 1 X 84 84 LYS N N 77 119.572 121.119 -1.547 1
1 924 . 2 1 1 X 85 85 GLU H H 78 7.629 8.096 -0.467 1
1 925 . 2 1 1 X 85 85 GLU HA H 78 4.246 4.120 0.126 1
1 930 . 2 1 1 X 85 85 GLU C C 78 179.834 179.619 0.215 1
1 931 . 2 1 1 X 85 85 GLU CA C 78 59.752 59.315 0.437 1
1 932 . 2 1 1 X 85 85 GLU CB C 78 29.189 29.476 -0.287 1
1 934 . 2 1 1 X 85 85 GLU N N 78 118.366 118.988 -0.622 1
1 935 . 2 1 1 X 86 86 ILE H H 79 8.432 8.005 0.427 1
1 936 . 2 1 1 X 86 86 ILE HA H 79 3.781 3.776 0.005 1
1 946 . 2 1 1 X 86 86 ILE C C 79 177.578 178.297 -0.719 1
1 947 . 2 1 1 X 86 86 ILE CA C 79 65.454 64.943 0.511 1
1 948 . 2 1 1 X 86 86 ILE CB C 79 37.940 37.965 -0.025 1
1 952 . 2 1 1 X 86 86 ILE N N 79 118.975 120.430 -1.455 1
1 953 . 2 1 1 X 87 87 LYS H H 80 9.096 8.780 0.316 1
1 954 . 2 1 1 X 87 87 LYS HA H 80 3.958 4.125 -0.167 1
1 963 . 2 1 1 X 87 87 LYS C C 80 180.285 178.674 1.611 1
1 964 . 2 1 1 X 87 87 LYS CA C 80 60.290 59.221 1.069 1
1 965 . 2 1 1 X 87 87 LYS CB C 80 33.299 32.166 1.133 1
1 969 . 2 1 1 X 87 87 LYS N N 80 119.805 120.609 -0.804 1
1 970 . 2 1 1 X 88 88 GLU H H 81 8.508 7.957 0.551 1
1 971 . 2 1 1 X 88 88 GLU HA H 81 4.099 4.124 -0.025 1
1 976 . 2 1 1 X 88 88 GLU C C 81 179.195 179.022 0.173 1
1 977 . 2 1 1 X 88 88 GLU CA C 81 59.632 59.266 0.366 1
1 978 . 2 1 1 X 88 88 GLU CB C 81 29.649 29.363 0.286 1
1 980 . 2 1 1 X 88 88 GLU N N 81 118.920 119.342 -0.422 1
1 981 . 2 1 1 X 89 89 TRP H H 82 8.682 8.093 0.589 1
1 982 . 2 1 1 X 89 89 TRP HA H 82 4.201 4.310 -0.109 1
1 991 . 2 1 1 X 89 89 TRP C C 82 179.807 177.888 1.919 1
1 992 . 2 1 1 X 89 89 TRP CA C 82 63.110 60.942 2.168 1
1 993 . 2 1 1 X 89 89 TRP CB C 82 29.285 29.667 -0.382 1
1 999 . 2 1 1 X 89 89 TRP N N 82 122.152 122.101 0.051 1
1 1001 . 2 1 1 X 90 90 ARG H H 83 9.025 8.840 0.185 1
1 1002 . 2 1 1 X 90 90 ARG HA H 83 3.295 3.903 -0.608 1
1 1009 . 2 1 1 X 90 90 ARG C C 83 178.120 178.044 0.076 1
1 1010 . 2 1 1 X 90 90 ARG CA C 83 60.895 59.754 1.141 1
1 1011 . 2 1 1 X 90 90 ARG CB C 83 28.668 29.687 -1.019 1
1 1014 . 2 1 1 X 90 90 ARG N N 83 118.380 119.388 -1.008 1
1 1015 . 2 1 1 X 91 91 ALA H H 84 7.759 8.173 -0.414 1
1 1016 . 2 1 1 X 91 91 ALA HA H 84 4.151 4.134 0.017 1
1 1020 . 2 1 1 X 91 91 ALA C C 84 181.466 179.857 1.609 1
1 1021 . 2 1 1 X 91 91 ALA CA C 84 55.217 54.833 0.384 1
1 1022 . 2 1 1 X 91 91 ALA CB C 84 18.175 18.051 0.124 1
1 1023 . 2 1 1 X 91 91 ALA N N 84 120.210 120.724 -0.514 1
1 1024 . 2 1 1 X 92 92 ALA H H 85 7.943 8.143 -0.200 1
1 1025 . 2 1 1 X 92 92 ALA HA H 85 4.081 4.013 0.068 1
1 1029 . 2 1 1 X 92 92 ALA C C 85 178.324 179.819 -1.495 1
1 1030 . 2 1 1 X 92 92 ALA CA C 85 54.244 54.656 -0.412 1
1 1031 . 2 1 1 X 92 92 ALA CB C 85 18.306 18.209 0.097 1
1 1032 . 2 1 1 X 92 92 ALA N N 85 120.470 120.070 0.400 1
1 1033 . 2 1 1 X 93 93 ASN H H 86 7.005 7.527 -0.522 1
1 1034 . 2 1 1 X 93 93 ASN HA H 86 4.475 4.571 -0.096 1
1 1039 . 2 1 1 X 93 93 ASN C C 86 174.108 175.492 -1.384 1
1 1040 . 2 1 1 X 93 93 ASN CA C 86 53.347 52.839 0.508 1
1 1041 . 2 1 1 X 93 93 ASN CB C 86 39.379 38.578 0.801 1
1 1043 . 2 1 1 X 93 93 ASN N N 86 113.372 114.038 -0.666 1
1 1045 . 2 1 1 X 94 94 GLY H H 87 7.535 7.951 -0.416 1
1 1046 . 2 1 1 X 94 94 GLY HA2 H 87 3.810 3.875 -0.065 1
1 1047 . 2 1 1 X 94 94 GLY HA3 H 87 3.810 3.884 -0.074 1
1 1048 . 2 1 1 X 94 94 GLY C C 87 174.481 174.113 0.368 1
1 1049 . 2 1 1 X 94 94 GLY CA C 87 47.230 46.326 0.904 1
1 1050 . 2 1 1 X 94 94 GLY N N 87 108.152 108.168 -0.016 1
1 1051 . 2 1 1 X 95 95 LYS H H 88 8.037 8.235 -0.198 1
1 1052 . 2 1 1 X 95 95 LYS HA H 88 4.654 4.681 -0.027 1
1 1061 . 2 1 1 X 95 95 LYS CA C 88 53.357 52.865 0.492 1
1 1062 . 2 1 1 X 95 95 LYS CB C 88 32.741 33.693 -0.952 1
1 1066 . 2 1 1 X 95 95 LYS N N 88 119.147 120.215 -1.068 1
1 1067 . 2 1 1 X 96 96 PRO HA H 89 4.275 4.438 -0.163 1
1 1074 . 2 1 1 X 96 96 PRO C C 89 176.696 176.287 0.409 1
1 1075 . 2 1 1 X 96 96 PRO CA C 89 63.482 63.173 0.309 1
1 1076 . 2 1 1 X 96 96 PRO CB C 89 32.981 32.207 0.774 1
1 1079 . 2 1 1 X 97 97 GLY H H 90 8.336 8.357 -0.021 1
1 1080 . 2 1 1 X 97 97 GLY HA2 H 90 4.074 3.807 0.267 1
1 1081 . 2 1 1 X 97 97 GLY HA3 H 90 3.615 3.809 -0.194 1
1 1082 . 2 1 1 X 97 97 GLY C C 90 173.388 173.316 0.072 1
1 1083 . 2 1 1 X 97 97 GLY CA C 90 43.347 44.498 -1.151 1
1 1084 . 2 1 1 X 97 97 GLY N N 90 110.343 107.794 2.549 1
1 1085 . 2 1 1 X 98 98 PHE H H 91 7.749 8.148 -0.399 1
1 1086 . 2 1 1 X 98 98 PHE HA H 91 4.527 4.909 -0.382 1
1 1094 . 2 1 1 X 98 98 PHE C C 91 177.021 175.654 1.367 1
1 1095 . 2 1 1 X 98 98 PHE CA C 91 59.184 58.165 1.019 1
1 1096 . 2 1 1 X 98 98 PHE CB C 91 40.005 39.701 0.304 1
1 1102 . 2 1 1 X 98 98 PHE N N 91 116.151 120.802 -4.651 1
1 1103 . 2 1 1 X 99 99 LYS H H 92 8.531 8.913 -0.382 1
1 1104 . 2 1 1 X 99 99 LYS HA H 92 4.178 4.561 -0.383 1
1 1113 . 2 1 1 X 99 99 LYS C C 92 176.542 176.191 0.351 1
1 1114 . 2 1 1 X 99 99 LYS CA C 92 57.292 55.953 1.339 1
1 1115 . 2 1 1 X 99 99 LYS CB C 92 32.875 33.581 -0.706 1
1 1119 . 2 1 1 X 99 99 LYS N N 92 123.602 120.286 3.316 1
1 1120 . 2 1 1 X 100 100 GLN H H 93 8.633 8.499 0.134 1
1 1121 . 2 1 1 X 100 100 GLN HA H 93 4.297 5.149 -0.852 1
1 1128 . 2 1 1 X 100 100 GLN C C 93 175.318 175.845 -0.527 1
1 1129 . 2 1 1 X 100 100 GLN CA C 93 56.479 54.297 2.182 1
1 1130 . 2 1 1 X 100 100 GLN CB C 93 29.751 31.408 -1.657 1
1 1133 . 2 1 1 X 100 100 GLN N N 93 125.089 120.349 4.740 1
1 12 . 3 1 1 X 10 10 LEU H H 3 8.121 8.920 -0.799 1
1 13 . 3 1 1 X 10 10 LEU HA H 3 4.240 5.466 -1.226 1
1 23 . 3 1 1 X 10 10 LEU C C 3 176.909 176.195 0.714 1
1 24 . 3 1 1 X 10 10 LEU CA C 3 54.748 53.308 1.440 1
1 25 . 3 1 1 X 10 10 LEU CB C 3 41.272 44.626 -3.354 1
1 29 . 3 1 1 X 10 10 LEU N N 3 123.688 124.037 -0.349 1
1 30 . 3 1 1 X 11 11 LYS H H 4 7.677 9.010 -1.333 1
1 31 . 3 1 1 X 11 11 LYS HA H 4 4.404 4.604 -0.200 1
1 40 . 3 1 1 X 11 11 LYS C C 4 176.184 177.085 -0.901 1
1 41 . 3 1 1 X 11 11 LYS CA C 4 55.828 54.550 1.278 1
1 42 . 3 1 1 X 11 11 LYS CB C 4 33.482 33.901 -0.419 1
1 46 . 3 1 1 X 11 11 LYS N N 4 122.221 121.770 0.451 1
1 47 . 3 1 1 X 12 12 ASN H H 5 8.538 8.846 -0.308 1
1 48 . 3 1 1 X 12 12 ASN HA H 5 4.685 5.227 -0.542 1
1 53 . 3 1 1 X 12 12 ASN C C 5 174.925 175.180 -0.255 1
1 54 . 3 1 1 X 12 12 ASN CA C 5 55.721 54.168 1.553 1
1 55 . 3 1 1 X 12 12 ASN CB C 5 40.409 41.171 -0.762 1
1 57 . 3 1 1 X 12 12 ASN N N 5 116.610 118.121 -1.511 1
1 59 . 3 1 1 X 13 13 SER H H 6 8.144 7.779 0.365 1
1 60 . 3 1 1 X 13 13 SER HA H 6 4.819 4.845 -0.026 1
1 63 . 3 1 1 X 13 13 SER C C 6 175.123 174.785 0.338 1
1 64 . 3 1 1 X 13 13 SER CA C 6 56.778 56.194 0.584 1
1 65 . 3 1 1 X 13 13 SER CB C 6 65.949 66.375 -0.426 1
1 66 . 3 1 1 X 13 13 SER N N 6 112.138 110.144 1.994 1
1 67 . 3 1 1 X 14 14 ILE H H 7 9.318 8.992 0.326 1
1 68 . 3 1 1 X 14 14 ILE HA H 7 3.966 4.346 -0.380 1
1 78 . 3 1 1 X 14 14 ILE C C 7 175.537 178.145 -2.608 1
1 79 . 3 1 1 X 14 14 ILE CA C 7 64.956 64.100 0.856 1
1 80 . 3 1 1 X 14 14 ILE CB C 7 37.062 37.907 -0.845 1
1 84 . 3 1 1 X 14 14 ILE N N 7 126.034 125.488 0.546 1
1 85 . 3 1 1 X 15 15 SER H H 8 7.504 8.266 -0.762 1
1 86 . 3 1 1 X 15 15 SER HA H 8 4.694 4.512 0.182 1
1 89 . 3 1 1 X 15 15 SER C C 8 174.278 174.564 -0.286 1
1 90 . 3 1 1 X 15 15 SER CA C 8 59.481 60.294 -0.813 1
1 91 . 3 1 1 X 15 15 SER CB C 8 63.241 63.204 0.037 1
1 92 . 3 1 1 X 15 15 SER N N 8 112.517 117.592 -5.075 1
1 93 . 3 1 1 X 16 16 ASP H H 9 7.783 8.043 -0.260 1
1 94 . 3 1 1 X 16 16 ASP HA H 9 4.791 4.805 -0.014 1
1 97 . 3 1 1 X 16 16 ASP C C 9 175.976 175.791 0.185 1
1 98 . 3 1 1 X 16 16 ASP CA C 9 55.243 53.554 1.689 1
1 99 . 3 1 1 X 16 16 ASP CB C 9 43.327 41.648 1.679 1
1 100 . 3 1 1 X 16 16 ASP N N 9 117.795 120.077 -2.282 1
1 101 . 3 1 1 X 17 17 TYR H H 10 8.279 7.875 0.404 1
1 102 . 3 1 1 X 17 17 TYR HA H 10 4.962 4.977 -0.015 1
1 109 . 3 1 1 X 17 17 TYR C C 10 177.535 176.175 1.360 1
1 110 . 3 1 1 X 17 17 TYR CA C 10 58.573 57.567 1.006 1
1 111 . 3 1 1 X 17 17 TYR CB C 10 41.015 39.580 1.435 1
1 116 . 3 1 1 X 17 17 TYR N N 10 120.484 118.335 2.149 1
1 117 . 3 1 1 X 18 18 THR H H 11 8.796 8.842 -0.046 1
1 118 . 3 1 1 X 18 18 THR HA H 11 5.040 4.717 0.323 1
1 123 . 3 1 1 X 18 18 THR C C 11 176.099 175.981 0.118 1
1 124 . 3 1 1 X 18 18 THR CA C 11 60.775 60.863 -0.088 1
1 125 . 3 1 1 X 18 18 THR CB C 11 71.041 71.200 -0.159 1
1 127 . 3 1 1 X 18 18 THR N N 11 112.143 117.443 -5.300 1
1 128 . 3 1 1 X 19 19 GLU H H 12 9.173 9.072 0.101 1
1 129 . 3 1 1 X 19 19 GLU HA H 12 2.757 3.281 -0.524 1
1 134 . 3 1 1 X 19 19 GLU C C 12 178.378 178.481 -0.103 1
1 135 . 3 1 1 X 19 19 GLU CA C 12 60.906 59.056 1.850 1
1 136 . 3 1 1 X 19 19 GLU CB C 12 29.442 29.138 0.304 1
1 138 . 3 1 1 X 19 19 GLU N N 12 122.386 120.486 1.900 1
1 139 . 3 1 1 X 20 20 ALA H H 13 8.356 8.239 0.117 1
1 140 . 3 1 1 X 20 20 ALA HA H 13 4.069 4.129 -0.060 1
1 144 . 3 1 1 X 20 20 ALA C C 13 181.816 179.560 2.256 1
1 145 . 3 1 1 X 20 20 ALA CA C 13 55.388 54.966 0.422 1
1 146 . 3 1 1 X 20 20 ALA CB C 13 18.308 18.518 -0.210 1
1 147 . 3 1 1 X 20 20 ALA N N 13 118.695 122.156 -3.461 1
1 148 . 3 1 1 X 21 21 GLU H H 14 8.013 8.301 -0.288 1
1 149 . 3 1 1 X 21 21 GLU HA H 14 4.131 4.125 0.006 1
1 154 . 3 1 1 X 21 21 GLU C C 14 179.649 179.160 0.489 1
1 155 . 3 1 1 X 21 21 GLU CA C 14 58.916 59.052 -0.136 1
1 156 . 3 1 1 X 21 21 GLU CB C 14 31.632 29.547 2.085 1
1 158 . 3 1 1 X 21 21 GLU N N 14 118.978 119.311 -0.333 1
1 159 . 3 1 1 X 22 22 PHE H H 15 8.635 8.219 0.416 1
1 160 . 3 1 1 X 22 22 PHE HA H 15 4.049 3.975 0.074 1
1 167 . 3 1 1 X 22 22 PHE C C 15 177.402 177.598 -0.196 1
1 168 . 3 1 1 X 22 22 PHE CA C 15 62.183 61.504 0.679 1
1 169 . 3 1 1 X 22 22 PHE CB C 15 40.545 38.897 1.648 1
1 174 . 3 1 1 X 22 22 PHE N N 15 124.639 121.625 3.014 1
1 175 . 3 1 1 X 23 23 VAL H H 16 8.647 8.064 0.583 1
1 176 . 3 1 1 X 23 23 VAL HA H 16 3.416 3.723 -0.307 1
1 184 . 3 1 1 X 23 23 VAL C C 16 177.798 177.768 0.030 1
1 185 . 3 1 1 X 23 23 VAL CA C 16 67.917 66.331 1.586 1
1 186 . 3 1 1 X 23 23 VAL CB C 16 31.579 31.332 0.247 1
1 189 . 3 1 1 X 23 23 VAL N N 16 119.817 118.672 1.145 1
1 190 . 3 1 1 X 24 24 GLN H H 17 7.569 8.465 -0.896 1
1 191 . 3 1 1 X 24 24 GLN HA H 17 3.943 3.997 -0.054 1
1 198 . 3 1 1 X 24 24 GLN C C 17 178.313 178.231 0.082 1
1 199 . 3 1 1 X 24 24 GLN CA C 17 59.289 59.186 0.103 1
1 200 . 3 1 1 X 24 24 GLN CB C 17 27.814 28.081 -0.267 1
1 203 . 3 1 1 X 24 24 GLN N N 17 117.658 121.183 -3.525 1
1 205 . 3 1 1 X 25 25 LEU H H 18 7.512 7.708 -0.196 1
1 206 . 3 1 1 X 25 25 LEU HA H 18 4.136 4.022 0.114 1
1 216 . 3 1 1 X 25 25 LEU C C 18 178.440 178.267 0.173 1
1 217 . 3 1 1 X 25 25 LEU CA C 18 58.651 57.901 0.750 1
1 218 . 3 1 1 X 25 25 LEU CB C 18 40.626 41.455 -0.829 1
1 222 . 3 1 1 X 25 25 LEU N N 18 122.037 120.891 1.146 1
1 223 . 3 1 1 X 26 26 LEU H H 19 7.761 8.381 -0.620 1
1 224 . 3 1 1 X 26 26 LEU HA H 19 3.748 3.608 0.140 1
1 234 . 3 1 1 X 26 26 LEU C C 19 180.080 179.095 0.985 1
1 235 . 3 1 1 X 26 26 LEU CA C 19 58.041 57.426 0.615 1
1 236 . 3 1 1 X 26 26 LEU CB C 19 41.009 41.213 -0.204 1
1 240 . 3 1 1 X 26 26 LEU N N 19 118.502 118.116 0.386 1
1 241 . 3 1 1 X 27 27 LYS H H 20 8.357 8.123 0.234 1
1 242 . 3 1 1 X 27 27 LYS HA H 20 4.019 3.955 0.064 1
1 251 . 3 1 1 X 27 27 LYS C C 20 179.559 179.153 0.406 1
1 252 . 3 1 1 X 27 27 LYS CA C 20 59.648 59.887 -0.239 1
1 253 . 3 1 1 X 27 27 LYS CB C 20 31.995 31.937 0.058 1
1 257 . 3 1 1 X 27 27 LYS N N 20 120.427 118.282 2.145 1
1 258 . 3 1 1 X 28 28 GLU H H 21 8.123 7.885 0.238 1
1 259 . 3 1 1 X 28 28 GLU HA H 21 4.082 4.051 0.031 1
1 264 . 3 1 1 X 28 28 GLU C C 21 179.063 178.976 0.087 1
1 265 . 3 1 1 X 28 28 GLU CA C 21 59.406 59.149 0.257 1
1 266 . 3 1 1 X 28 28 GLU CB C 21 29.146 29.026 0.120 1
1 268 . 3 1 1 X 28 28 GLU N N 21 122.374 118.625 3.749 1
1 269 . 3 1 1 X 29 29 ILE H H 22 8.049 8.111 -0.062 1
1 270 . 3 1 1 X 29 29 ILE HA H 22 3.343 3.541 -0.198 1
1 280 . 3 1 1 X 29 29 ILE C C 22 177.151 177.814 -0.663 1
1 281 . 3 1 1 X 29 29 ILE CA C 22 66.435 65.355 1.080 1
1 282 . 3 1 1 X 29 29 ILE CB C 22 37.954 37.580 0.374 1
1 286 . 3 1 1 X 29 29 ILE N N 22 120.195 121.171 -0.976 1
1 287 . 3 1 1 X 30 30 GLU H H 23 7.820 8.194 -0.374 1
1 288 . 3 1 1 X 30 30 GLU HA H 23 3.983 3.844 0.139 1
1 293 . 3 1 1 X 30 30 GLU C C 23 178.990 179.395 -0.405 1
1 294 . 3 1 1 X 30 30 GLU CA C 23 59.460 59.384 0.076 1
1 295 . 3 1 1 X 30 30 GLU CB C 23 30.012 29.105 0.907 1
1 297 . 3 1 1 X 30 30 GLU N N 23 118.917 118.743 0.174 1
1 298 . 3 1 1 X 31 31 LYS H H 24 7.678 7.931 -0.253 1
1 299 . 3 1 1 X 31 31 LYS HA H 24 4.059 3.926 0.133 1
1 308 . 3 1 1 X 31 31 LYS C C 24 179.231 179.692 -0.461 1
1 309 . 3 1 1 X 31 31 LYS CA C 24 59.152 59.642 -0.490 1
1 310 . 3 1 1 X 31 31 LYS CB C 24 32.712 31.964 0.748 1
1 314 . 3 1 1 X 31 31 LYS N N 24 118.807 120.839 -2.032 1
1 315 . 3 1 1 X 32 32 GLU H H 25 8.182 8.214 -0.032 1
1 316 . 3 1 1 X 32 32 GLU HA H 25 4.309 4.122 0.187 1
1 321 . 3 1 1 X 32 32 GLU C C 25 177.897 179.136 -1.239 1
1 322 . 3 1 1 X 32 32 GLU CA C 25 57.449 58.690 -1.241 1
1 323 . 3 1 1 X 32 32 GLU CB C 25 29.522 29.285 0.237 1
1 325 . 3 1 1 X 32 32 GLU N N 25 118.578 118.886 -0.308 1
1 326 . 3 1 1 X 33 33 ASN H H 26 8.343 8.082 0.261 1
1 327 . 3 1 1 X 33 33 ASN HA H 26 4.608 4.387 0.221 1
1 330 . 3 1 1 X 33 33 ASN C C 26 176.524 177.358 -0.834 1
1 331 . 3 1 1 X 33 33 ASN CA C 26 55.463 56.268 -0.805 1
1 332 . 3 1 1 X 33 33 ASN CB C 26 39.074 38.607 0.467 1
1 333 . 3 1 1 X 33 33 ASN N N 26 118.483 118.650 -0.167 1
1 334 . 3 1 1 X 34 34 VAL H H 27 7.434 7.827 -0.393 1
1 335 . 3 1 1 X 34 34 VAL HA H 27 4.182 3.899 0.283 1
1 343 . 3 1 1 X 34 34 VAL C C 27 176.315 177.141 -0.826 1
1 344 . 3 1 1 X 34 34 VAL CA C 27 62.829 63.948 -1.119 1
1 345 . 3 1 1 X 34 34 VAL CB C 27 32.178 31.149 1.029 1
1 348 . 3 1 1 X 34 34 VAL N N 27 114.036 116.241 -2.205 1
1 349 . 3 1 1 X 35 35 ALA H H 28 7.648 7.619 0.029 1
1 350 . 3 1 1 X 35 35 ALA HA H 28 4.346 4.300 0.046 1
1 354 . 3 1 1 X 35 35 ALA C C 28 177.126 176.741 0.385 1
1 355 . 3 1 1 X 35 35 ALA CA C 28 52.712 51.929 0.783 1
1 356 . 3 1 1 X 35 35 ALA CB C 28 19.915 19.045 0.870 1
1 357 . 3 1 1 X 35 35 ALA N N 28 124.066 123.653 0.413 1
1 358 . 3 1 1 X 36 36 ALA H H 29 8.337 7.765 0.572 1
1 359 . 3 1 1 X 36 36 ALA HA H 29 4.260 3.945 0.315 1
1 363 . 3 1 1 X 36 36 ALA C C 29 177.999 176.177 1.822 1
1 364 . 3 1 1 X 36 36 ALA CA C 29 53.660 52.846 0.814 1
1 365 . 3 1 1 X 36 36 ALA CB C 29 19.175 17.264 1.911 1
1 366 . 3 1 1 X 36 36 ALA N N 29 121.695 120.131 1.564 1
1 367 . 3 1 1 X 37 37 THR H H 30 8.093 7.936 0.157 1
1 368 . 3 1 1 X 37 37 THR HA H 30 4.533 4.639 -0.106 1
1 373 . 3 1 1 X 37 37 THR C C 30 174.715 173.647 1.068 1
1 374 . 3 1 1 X 37 37 THR CA C 30 60.860 60.420 0.440 1
1 375 . 3 1 1 X 37 37 THR CB C 30 70.424 71.473 -1.049 1
1 377 . 3 1 1 X 37 37 THR N N 30 110.112 106.646 3.466 1
1 378 . 3 1 1 X 38 38 ASP H H 31 8.488 8.858 -0.370 1
1 379 . 3 1 1 X 38 38 ASP HA H 31 4.685 4.726 -0.041 1
1 382 . 3 1 1 X 38 38 ASP C C 31 175.896 177.318 -1.422 1
1 383 . 3 1 1 X 38 38 ASP CA C 31 54.704 55.705 -1.001 1
1 384 . 3 1 1 X 38 38 ASP CB C 31 41.389 42.630 -1.241 1
1 385 . 3 1 1 X 38 38 ASP N N 31 121.899 121.433 0.466 1
1 386 . 3 1 1 X 39 39 ASP H H 32 8.368 8.892 -0.524 1
1 387 . 3 1 1 X 39 39 ASP HA H 32 4.459 4.364 0.095 1
1 390 . 3 1 1 X 39 39 ASP C C 32 177.499 178.450 -0.951 1
1 391 . 3 1 1 X 39 39 ASP CA C 32 56.443 57.504 -1.061 1
1 392 . 3 1 1 X 39 39 ASP CB C 32 40.737 40.789 -0.052 1
1 393 . 3 1 1 X 39 39 ASP N N 32 118.770 121.426 -2.656 1
1 394 . 3 1 1 X 40 40 VAL H H 33 7.963 7.965 -0.002 1
1 395 . 3 1 1 X 40 40 VAL HA H 33 3.800 3.889 -0.089 1
1 403 . 3 1 1 X 40 40 VAL C C 33 177.362 177.550 -0.188 1
1 404 . 3 1 1 X 40 40 VAL CA C 33 64.970 64.869 0.101 1
1 405 . 3 1 1 X 40 40 VAL CB C 33 32.256 32.109 0.147 1
1 408 . 3 1 1 X 40 40 VAL N N 33 119.409 118.580 0.829 1
1 409 . 3 1 1 X 41 41 LEU H H 34 8.508 8.025 0.483 1
1 410 . 3 1 1 X 41 41 LEU HA H 34 3.857 3.922 -0.065 1
1 420 . 3 1 1 X 41 41 LEU C C 34 177.633 178.009 -0.376 1
1 421 . 3 1 1 X 41 41 LEU CA C 34 58.428 58.626 -0.198 1
1 422 . 3 1 1 X 41 41 LEU CB C 34 41.755 41.333 0.422 1
1 426 . 3 1 1 X 41 41 LEU N N 34 122.150 122.849 -0.699 1
1 427 . 3 1 1 X 42 42 ASP H H 35 8.236 8.759 -0.523 1
1 428 . 3 1 1 X 42 42 ASP HA H 35 4.370 4.434 -0.064 1
1 431 . 3 1 1 X 42 42 ASP C C 35 179.155 178.874 0.281 1
1 432 . 3 1 1 X 42 42 ASP CA C 35 57.925 57.422 0.503 1
1 433 . 3 1 1 X 42 42 ASP CB C 35 40.417 41.122 -0.705 1
1 434 . 3 1 1 X 42 42 ASP N N 35 116.374 118.841 -2.467 1
1 435 . 3 1 1 X 43 43 VAL H H 36 7.320 7.663 -0.343 1
1 436 . 3 1 1 X 43 43 VAL HA H 36 3.782 3.603 0.179 1
1 444 . 3 1 1 X 43 43 VAL C C 36 179.309 178.192 1.117 1
1 445 . 3 1 1 X 43 43 VAL CA C 36 66.080 66.734 -0.654 1
1 446 . 3 1 1 X 43 43 VAL CB C 36 32.245 31.637 0.608 1
1 449 . 3 1 1 X 43 43 VAL N N 36 119.754 120.428 -0.674 1
1 450 . 3 1 1 X 44 44 LEU H H 37 8.122 8.340 -0.218 1
1 451 . 3 1 1 X 44 44 LEU HA H 37 4.008 4.079 -0.071 1
1 461 . 3 1 1 X 44 44 LEU C C 37 179.518 179.384 0.134 1
1 462 . 3 1 1 X 44 44 LEU CA C 37 58.048 57.871 0.177 1
1 463 . 3 1 1 X 44 44 LEU CB C 37 42.374 41.648 0.726 1
1 467 . 3 1 1 X 44 44 LEU N N 37 120.608 118.954 1.654 1
1 468 . 3 1 1 X 45 45 LEU H H 38 8.898 8.514 0.384 1
1 469 . 3 1 1 X 45 45 LEU HA H 38 4.030 3.972 0.058 1
1 479 . 3 1 1 X 45 45 LEU C C 38 179.166 179.490 -0.324 1
1 480 . 3 1 1 X 45 45 LEU CA C 38 58.184 58.302 -0.118 1
1 481 . 3 1 1 X 45 45 LEU CB C 38 41.506 41.773 -0.267 1
1 485 . 3 1 1 X 45 45 LEU N N 38 119.199 118.911 0.288 1
1 486 . 3 1 1 X 46 46 GLU H H 39 7.964 8.420 -0.456 1
1 487 . 3 1 1 X 46 46 GLU HA H 39 4.066 4.045 0.021 1
1 492 . 3 1 1 X 46 46 GLU C C 39 178.995 178.987 0.008 1
1 493 . 3 1 1 X 46 46 GLU CA C 39 59.769 59.643 0.126 1
1 494 . 3 1 1 X 46 46 GLU CB C 39 29.577 29.294 0.283 1
1 496 . 3 1 1 X 46 46 GLU N N 39 119.334 117.986 1.348 1
1 497 . 3 1 1 X 47 47 HIS H H 40 8.009 8.562 -0.553 1
1 498 . 3 1 1 X 47 47 HIS HA H 40 4.416 4.392 0.024 1
1 503 . 3 1 1 X 47 47 HIS C C 40 176.115 177.062 -0.947 1
1 504 . 3 1 1 X 47 47 HIS CA C 40 60.151 58.860 1.291 1
1 505 . 3 1 1 X 47 47 HIS CB C 40 30.389 30.491 -0.102 1
1 508 . 3 1 1 X 47 47 HIS N N 40 119.610 119.956 -0.346 1
1 509 . 3 1 1 X 48 48 PHE H H 41 8.711 8.578 0.133 1
1 510 . 3 1 1 X 48 48 PHE HA H 41 3.808 4.114 -0.306 1
1 518 . 3 1 1 X 48 48 PHE C C 41 178.023 177.315 0.708 1
1 519 . 3 1 1 X 48 48 PHE CA C 41 62.654 61.324 1.330 1
1 520 . 3 1 1 X 48 48 PHE CB C 41 39.408 39.265 0.143 1
1 526 . 3 1 1 X 48 48 PHE N N 41 118.110 120.270 -2.160 1
1 527 . 3 1 1 X 49 49 VAL H H 42 8.439 8.140 0.299 1
1 528 . 3 1 1 X 49 49 VAL HA H 42 3.359 3.511 -0.152 1
1 536 . 3 1 1 X 49 49 VAL C C 42 178.340 177.498 0.842 1
1 537 . 3 1 1 X 49 49 VAL CA C 42 67.276 64.397 2.879 1
1 538 . 3 1 1 X 49 49 VAL CB C 42 32.235 31.362 0.873 1
1 541 . 3 1 1 X 49 49 VAL N N 42 121.301 118.641 2.660 1
1 542 . 3 1 1 X 50 50 LYS H H 43 8.091 8.440 -0.349 1
1 543 . 3 1 1 X 50 50 LYS HA H 43 3.973 4.018 -0.045 1
1 552 . 3 1 1 X 50 50 LYS C C 43 178.985 178.287 0.698 1
1 553 . 3 1 1 X 50 50 LYS CA C 43 59.580 58.956 0.624 1
1 554 . 3 1 1 X 50 50 LYS CB C 43 32.784 31.769 1.015 1
1 558 . 3 1 1 X 50 50 LYS N N 43 120.887 119.964 0.923 1
1 559 . 3 1 1 X 51 51 ILE H H 44 8.347 7.653 0.694 1
1 560 . 3 1 1 X 51 51 ILE HA H 44 4.159 3.842 0.317 1
1 570 . 3 1 1 X 51 51 ILE C C 44 178.121 177.844 0.277 1
1 571 . 3 1 1 X 51 51 ILE CA C 44 62.328 64.266 -1.938 1
1 572 . 3 1 1 X 51 51 ILE CB C 44 37.576 37.429 0.147 1
1 576 . 3 1 1 X 51 51 ILE N N 44 111.354 116.934 -5.580 1
1 577 . 3 1 1 X 52 52 THR H H 45 7.588 7.864 -0.276 1
1 578 . 3 1 1 X 52 52 THR HA H 45 3.683 4.224 -0.541 1
1 583 . 3 1 1 X 52 52 THR C C 45 176.285 174.241 2.044 1
1 584 . 3 1 1 X 52 52 THR CA C 45 65.803 64.977 0.826 1
1 585 . 3 1 1 X 52 52 THR CB C 45 69.689 69.304 0.385 1
1 587 . 3 1 1 X 52 52 THR N N 45 109.646 116.580 -6.934 1
1 588 . 3 1 1 X 53 53 GLU H H 46 7.366 7.919 -0.553 1
1 589 . 3 1 1 X 53 53 GLU HA H 46 3.836 4.078 -0.242 1
1 594 . 3 1 1 X 53 53 GLU C C 46 173.418 174.683 -1.265 1
1 595 . 3 1 1 X 53 53 GLU CA C 46 57.709 57.583 0.126 1
1 596 . 3 1 1 X 53 53 GLU CB C 46 29.067 27.342 1.725 1
1 598 . 3 1 1 X 53 53 GLU N N 46 112.606 119.557 -6.951 1
1 599 . 3 1 1 X 54 54 HIS H H 47 7.127 7.605 -0.478 1
1 600 . 3 1 1 X 54 54 HIS HA H 47 3.070 3.681 -0.611 1
1 605 . 3 1 1 X 54 54 HIS CA C 47 55.826 54.726 1.100 1
1 606 . 3 1 1 X 54 54 HIS CB C 47 32.124 30.857 1.267 1
1 609 . 3 1 1 X 54 54 HIS N N 47 119.651 119.719 -0.068 1
1 610 . 3 1 1 X 55 55 PRO HA H 48 4.143 4.293 -0.150 1
1 617 . 3 1 1 X 55 55 PRO CA C 48 64.843 63.751 1.092 1
1 618 . 3 1 1 X 55 55 PRO CB C 48 32.350 31.401 0.949 1
1 621 . 3 1 1 X 56 56 ASP H H 49 10.605 7.364 3.241 1
1 622 . 3 1 1 X 56 56 ASP HA H 49 4.712 4.986 -0.274 1
1 625 . 3 1 1 X 56 56 ASP C C 49 178.187 177.391 0.796 1
1 626 . 3 1 1 X 56 56 ASP CA C 49 54.989 53.333 1.656 1
1 627 . 3 1 1 X 56 56 ASP CB C 49 40.657 42.001 -1.344 1
1 628 . 3 1 1 X 56 56 ASP N N 49 121.022 118.024 2.998 1
1 629 . 3 1 1 X 57 57 GLY H H 50 8.011 8.052 -0.041 1
1 630 . 3 1 1 X 57 57 GLY HA2 H 50 4.122 3.879 0.243 1
1 631 . 3 1 1 X 57 57 GLY HA3 H 50 3.701 3.976 -0.275 1
1 632 . 3 1 1 X 57 57 GLY C C 50 175.337 176.050 -0.713 1
1 633 . 3 1 1 X 57 57 GLY CA C 50 47.435 47.533 -0.098 1
1 634 . 3 1 1 X 57 57 GLY N N 50 108.190 109.148 -0.958 1
1 635 . 3 1 1 X 58 58 THR H H 51 9.047 8.101 0.946 1
1 636 . 3 1 1 X 58 58 THR HA H 51 3.730 4.372 -0.642 1
1 641 . 3 1 1 X 58 58 THR C C 51 176.082 177.028 -0.946 1
1 642 . 3 1 1 X 58 58 THR CA C 51 64.795 64.579 0.216 1
1 643 . 3 1 1 X 58 58 THR CB C 51 68.398 68.688 -0.290 1
1 645 . 3 1 1 X 58 58 THR N N 51 114.996 115.718 -0.722 1
1 646 . 3 1 1 X 59 59 ALA H H 52 8.142 8.187 -0.045 1
1 647 . 3 1 1 X 59 59 ALA HA H 52 4.205 4.117 0.088 1
1 651 . 3 1 1 X 59 59 ALA C C 52 179.373 179.992 -0.619 1
1 652 . 3 1 1 X 59 59 ALA CA C 52 55.625 55.166 0.459 1
1 653 . 3 1 1 X 59 59 ALA CB C 52 18.416 18.070 0.346 1
1 654 . 3 1 1 X 59 59 ALA N N 52 125.565 124.936 0.629 1
1 655 . 3 1 1 X 60 60 LEU H H 53 7.399 8.226 -0.827 1
1 656 . 3 1 1 X 60 60 LEU HA H 53 3.835 3.752 0.083 1
1 666 . 3 1 1 X 60 60 LEU C C 53 178.601 178.473 0.128 1
1 667 . 3 1 1 X 60 60 LEU CA C 53 58.031 58.494 -0.463 1
1 668 . 3 1 1 X 60 60 LEU CB C 53 43.487 42.081 1.406 1
1 672 . 3 1 1 X 60 60 LEU N N 53 114.763 117.555 -2.792 1
1 673 . 3 1 1 X 61 61 ILE H H 54 6.855 7.753 -0.898 1
1 674 . 3 1 1 X 61 61 ILE HA H 54 3.518 3.445 0.073 1
1 684 . 3 1 1 X 61 61 ILE C C 54 178.595 177.732 0.863 1
1 685 . 3 1 1 X 61 61 ILE CA C 54 62.989 65.134 -2.145 1
1 686 . 3 1 1 X 61 61 ILE CB C 54 38.424 37.513 0.911 1
1 690 . 3 1 1 X 61 61 ILE N N 54 114.394 119.866 -5.472 1
1 691 . 3 1 1 X 62 62 TYR H H 55 7.489 8.327 -0.838 1
1 692 . 3 1 1 X 62 62 TYR HA H 55 4.243 4.257 -0.014 1
1 699 . 3 1 1 X 62 62 TYR C C 55 178.634 178.862 -0.228 1
1 700 . 3 1 1 X 62 62 TYR CA C 55 61.518 60.504 1.014 1
1 701 . 3 1 1 X 62 62 TYR CB C 55 37.566 38.050 -0.484 1
1 706 . 3 1 1 X 62 62 TYR N N 55 117.898 118.640 -0.742 1
1 707 . 3 1 1 X 63 63 GLU H H 56 8.659 8.998 -0.339 1
1 708 . 3 1 1 X 63 63 GLU HA H 56 4.441 4.110 0.331 1
1 713 . 3 1 1 X 63 63 GLU C C 56 177.785 178.854 -1.069 1
1 714 . 3 1 1 X 63 63 GLU CA C 56 57.658 59.395 -1.737 1
1 715 . 3 1 1 X 63 63 GLU CB C 56 29.034 29.138 -0.104 1
1 717 . 3 1 1 X 63 63 GLU N N 56 119.392 117.983 1.409 1
1 718 . 3 1 1 X 64 64 ALA H H 57 7.164 8.052 -0.888 1
1 719 . 3 1 1 X 64 64 ALA HA H 57 4.021 4.103 -0.082 1
1 723 . 3 1 1 X 64 64 ALA C C 57 180.327 179.994 0.333 1
1 724 . 3 1 1 X 64 64 ALA CA C 57 55.759 54.926 0.833 1
1 725 . 3 1 1 X 64 64 ALA CB C 57 18.615 18.135 0.480 1
1 726 . 3 1 1 X 64 64 ALA N N 57 121.778 122.412 -0.634 1
1 727 . 3 1 1 X 65 65 ALA H H 58 8.076 7.814 0.262 1
1 728 . 3 1 1 X 65 65 ALA HA H 58 4.137 4.005 0.132 1
1 732 . 3 1 1 X 65 65 ALA C C 58 180.248 179.440 0.808 1
1 733 . 3 1 1 X 65 65 ALA CA C 58 55.104 54.939 0.165 1
1 734 . 3 1 1 X 65 65 ALA CB C 58 18.071 18.254 -0.183 1
1 735 . 3 1 1 X 65 65 ALA N N 58 120.307 119.842 0.465 1
1 736 . 3 1 1 X 66 66 ALA H H 59 7.893 7.749 0.144 1
1 737 . 3 1 1 X 66 66 ALA HA H 59 4.170 4.021 0.149 1
1 741 . 3 1 1 X 66 66 ALA C C 59 180.838 179.758 1.080 1
1 742 . 3 1 1 X 66 66 ALA CA C 59 54.800 55.168 -0.368 1
1 743 . 3 1 1 X 66 66 ALA CB C 59 18.184 17.949 0.235 1
1 744 . 3 1 1 X 66 66 ALA N N 59 122.126 119.201 2.925 1
1 745 . 3 1 1 X 67 67 ARG H H 60 8.139 8.741 -0.602 1
1 746 . 3 1 1 X 67 67 ARG HA H 60 4.065 3.968 0.097 1
1 753 . 3 1 1 X 67 67 ARG C C 60 178.779 178.385 0.394 1
1 754 . 3 1 1 X 67 67 ARG CA C 60 59.282 59.662 -0.380 1
1 755 . 3 1 1 X 67 67 ARG CB C 60 30.863 29.702 1.161 1
1 758 . 3 1 1 X 67 67 ARG N N 60 118.948 117.821 1.127 1
1 759 . 3 1 1 X 68 68 ALA H H 61 7.891 8.228 -0.337 1
1 760 . 3 1 1 X 68 68 ALA HA H 61 4.141 4.148 -0.007 1
1 764 . 3 1 1 X 68 68 ALA C C 61 179.329 179.478 -0.149 1
1 765 . 3 1 1 X 68 68 ALA CA C 61 54.340 54.907 -0.567 1
1 766 . 3 1 1 X 68 68 ALA CB C 61 18.528 18.197 0.331 1
1 767 . 3 1 1 X 68 68 ALA N N 61 121.473 122.398 -0.925 1
1 768 . 3 1 1 X 69 69 ALA H H 62 7.663 8.328 -0.665 1
1 769 . 3 1 1 X 69 69 ALA HA H 62 4.133 4.071 0.062 1
1 773 . 3 1 1 X 69 69 ALA C C 62 178.591 177.901 0.690 1
1 774 . 3 1 1 X 69 69 ALA CA C 62 53.863 55.058 -1.195 1
1 775 . 3 1 1 X 69 69 ALA CB C 62 18.438 19.020 -0.582 1
1 776 . 3 1 1 X 69 69 ALA N N 62 118.937 119.046 -0.109 1
1 777 . 3 1 1 X 70 70 ALA H H 63 7.488 7.874 -0.386 1
1 778 . 3 1 1 X 70 70 ALA HA H 63 4.280 4.549 -0.269 1
1 782 . 3 1 1 X 70 70 ALA C C 63 177.318 175.649 1.669 1
1 783 . 3 1 1 X 70 70 ALA CA C 63 52.981 50.413 2.568 1
1 784 . 3 1 1 X 70 70 ALA CB C 63 19.324 19.184 0.140 1
1 785 . 3 1 1 X 70 70 ALA N N 63 118.642 119.079 -0.437 1
1 786 . 3 1 1 X 71 71 ASN H H 64 7.631 8.581 -0.950 1
1 787 . 3 1 1 X 71 71 ASN HA H 64 5.077 5.233 -0.156 1
1 792 . 3 1 1 X 71 71 ASN CA C 64 50.877 51.413 -0.536 1
1 793 . 3 1 1 X 71 71 ASN CB C 64 39.243 38.078 1.165 1
1 795 . 3 1 1 X 71 71 ASN N N 64 116.008 120.343 -4.335 1
1 797 . 3 1 1 X 72 72 PRO HA H 65 4.468 4.577 -0.109 1
1 804 . 3 1 1 X 72 72 PRO CA C 65 64.454 63.544 0.910 1
1 805 . 3 1 1 X 72 72 PRO CB C 65 32.007 32.008 -0.001 1
1 808 . 3 1 1 X 73 73 GLY H H 66 8.608 7.710 0.898 1
1 809 . 3 1 1 X 73 73 GLY HA2 H 66 3.978 4.051 -0.073 1
1 810 . 3 1 1 X 73 73 GLY HA3 H 66 3.978 4.052 -0.074 1
1 811 . 3 1 1 X 73 73 GLY C C 66 175.054 173.985 1.069 1
1 812 . 3 1 1 X 73 73 GLY CA C 66 45.521 43.950 1.571 1
1 813 . 3 1 1 X 73 73 GLY N N 66 109.435 109.475 -0.040 1
1 814 . 3 1 1 X 74 74 GLY H H 67 8.085 8.563 -0.478 1
1 815 . 3 1 1 X 74 74 GLY HA2 H 67 4.132 3.881 0.251 1
1 816 . 3 1 1 X 74 74 GLY HA3 H 67 3.896 3.882 0.014 1
1 817 . 3 1 1 X 74 74 GLY C C 67 174.008 174.737 -0.729 1
1 818 . 3 1 1 X 74 74 GLY CA C 67 45.450 47.249 -1.799 1
1 819 . 3 1 1 X 74 74 GLY N N 67 108.472 108.465 0.007 1
1 820 . 3 1 1 X 75 75 ASP H H 68 8.307 8.794 -0.487 1
1 821 . 3 1 1 X 75 75 ASP HA H 68 4.646 4.683 -0.037 1
1 824 . 3 1 1 X 75 75 ASP C C 68 176.933 176.932 0.001 1
1 825 . 3 1 1 X 75 75 ASP CA C 68 54.226 53.756 0.470 1
1 826 . 3 1 1 X 75 75 ASP CB C 68 41.486 41.880 -0.394 1
1 827 . 3 1 1 X 75 75 ASP N N 68 119.941 126.484 -6.543 1
1 828 . 3 1 1 X 76 76 GLY H H 69 8.502 8.131 0.371 1
1 829 . 3 1 1 X 76 76 GLY HA2 H 69 3.966 3.881 0.085 1
1 830 . 3 1 1 X 76 76 GLY HA3 H 69 3.951 3.884 0.067 1
1 831 . 3 1 1 X 76 76 GLY C C 69 174.771 173.847 0.924 1
1 832 . 3 1 1 X 76 76 GLY CA C 69 45.744 47.291 -1.547 1
1 833 . 3 1 1 X 76 76 GLY N N 69 109.061 107.947 1.114 1
1 834 . 3 1 1 X 77 77 GLY H H 70 8.367 8.406 -0.039 1
1 835 . 3 1 1 X 77 77 GLY HA2 H 70 4.092 4.253 -0.161 1
1 836 . 3 1 1 X 77 77 GLY HA3 H 70 3.920 4.261 -0.341 1
1 837 . 3 1 1 X 77 77 GLY C C 70 174.782 173.584 1.198 1
1 838 . 3 1 1 X 77 77 GLY CA C 70 45.327 45.663 -0.336 1
1 839 . 3 1 1 X 77 77 GLY N N 70 108.393 110.817 -2.424 1
1 840 . 3 1 1 X 78 78 GLY H H 71 8.263 8.618 -0.355 1
1 841 . 3 1 1 X 78 78 GLY HA2 H 71 4.205 3.967 0.238 1
1 842 . 3 1 1 X 78 78 GLY HA3 H 71 4.092 3.986 0.106 1
1 843 . 3 1 1 X 78 78 GLY CA C 71 45.581 44.940 0.641 1
1 844 . 3 1 1 X 78 78 GLY N N 71 108.388 108.708 -0.320 1
1 845 . 3 1 1 X 79 79 PRO HA H 72 4.199 4.246 -0.047 1
1 852 . 3 1 1 X 79 79 PRO C C 72 178.000 178.255 -0.255 1
1 853 . 3 1 1 X 79 79 PRO CA C 72 65.568 65.269 0.299 1
1 854 . 3 1 1 X 79 79 PRO CB C 72 32.864 31.370 1.494 1
1 857 . 3 1 1 X 80 80 GLU H H 73 9.283 8.580 0.703 1
1 858 . 3 1 1 X 80 80 GLU HA H 73 3.833 4.179 -0.346 1
1 863 . 3 1 1 X 80 80 GLU C C 73 179.587 177.967 1.620 1
1 864 . 3 1 1 X 80 80 GLU CA C 73 61.125 58.677 2.448 1
1 865 . 3 1 1 X 80 80 GLU CB C 73 28.576 29.189 -0.613 1
1 867 . 3 1 1 X 80 80 GLU N N 73 117.078 117.508 -0.430 1
1 868 . 3 1 1 X 81 81 GLY H H 74 7.926 7.928 -0.002 1
1 869 . 3 1 1 X 81 81 GLY HA2 H 74 3.964 4.022 -0.058 1
1 870 . 3 1 1 X 81 81 GLY HA3 H 74 3.914 4.040 -0.126 1
1 871 . 3 1 1 X 81 81 GLY C C 74 176.538 176.333 0.205 1
1 872 . 3 1 1 X 81 81 GLY CA C 74 47.084 45.990 1.094 1
1 873 . 3 1 1 X 81 81 GLY N N 74 108.577 108.239 0.338 1
1 874 . 3 1 1 X 82 82 ILE H H 75 7.593 7.759 -0.166 1
1 875 . 3 1 1 X 82 82 ILE HA H 75 3.873 3.876 -0.003 1
1 885 . 3 1 1 X 82 82 ILE C C 75 178.147 178.082 0.065 1
1 886 . 3 1 1 X 82 82 ILE CA C 75 65.342 64.887 0.455 1
1 887 . 3 1 1 X 82 82 ILE CB C 75 38.163 37.351 0.812 1
1 891 . 3 1 1 X 82 82 ILE N N 75 123.572 119.870 3.702 1
1 892 . 3 1 1 X 83 83 VAL H H 76 8.135 7.853 0.282 1
1 893 . 3 1 1 X 83 83 VAL HA H 76 3.575 4.216 -0.641 1
1 901 . 3 1 1 X 83 83 VAL C C 76 177.094 178.183 -1.089 1
1 902 . 3 1 1 X 83 83 VAL CA C 76 68.153 65.795 2.358 1
1 903 . 3 1 1 X 83 83 VAL CB C 76 31.653 31.429 0.224 1
1 906 . 3 1 1 X 83 83 VAL N N 76 118.553 121.217 -2.664 1
1 907 . 3 1 1 X 84 84 LYS H H 77 7.803 8.210 -0.407 1
1 908 . 3 1 1 X 84 84 LYS HA H 77 4.006 4.127 -0.121 1
1 917 . 3 1 1 X 84 84 LYS C C 77 178.064 178.807 -0.743 1
1 918 . 3 1 1 X 84 84 LYS CA C 77 60.516 59.468 1.048 1
1 919 . 3 1 1 X 84 84 LYS CB C 77 32.849 32.536 0.313 1
1 923 . 3 1 1 X 84 84 LYS N N 77 119.572 121.274 -1.702 1
1 924 . 3 1 1 X 85 85 GLU H H 78 7.629 8.005 -0.376 1
1 925 . 3 1 1 X 85 85 GLU HA H 78 4.246 4.097 0.149 1
1 930 . 3 1 1 X 85 85 GLU C C 78 179.834 179.597 0.237 1
1 931 . 3 1 1 X 85 85 GLU CA C 78 59.752 59.319 0.433 1
1 932 . 3 1 1 X 85 85 GLU CB C 78 29.189 29.485 -0.296 1
1 934 . 3 1 1 X 85 85 GLU N N 78 118.366 118.629 -0.263 1
1 935 . 3 1 1 X 86 86 ILE H H 79 8.432 8.472 -0.040 1
1 936 . 3 1 1 X 86 86 ILE HA H 79 3.781 3.570 0.211 1
1 946 . 3 1 1 X 86 86 ILE C C 79 177.578 178.347 -0.769 1
1 947 . 3 1 1 X 86 86 ILE CA C 79 65.454 65.315 0.139 1
1 948 . 3 1 1 X 86 86 ILE CB C 79 37.940 37.800 0.140 1
1 952 . 3 1 1 X 86 86 ILE N N 79 118.975 120.354 -1.379 1
1 953 . 3 1 1 X 87 87 LYS H H 80 9.096 8.585 0.511 1
1 954 . 3 1 1 X 87 87 LYS HA H 80 3.958 3.779 0.179 1
1 963 . 3 1 1 X 87 87 LYS C C 80 180.285 178.595 1.690 1
1 964 . 3 1 1 X 87 87 LYS CA C 80 60.290 58.968 1.322 1
1 965 . 3 1 1 X 87 87 LYS CB C 80 33.299 31.983 1.316 1
1 969 . 3 1 1 X 87 87 LYS N N 80 119.805 120.375 -0.570 1
1 970 . 3 1 1 X 88 88 GLU H H 81 8.508 8.146 0.362 1
1 971 . 3 1 1 X 88 88 GLU HA H 81 4.099 4.060 0.039 1
1 976 . 3 1 1 X 88 88 GLU C C 81 179.195 178.863 0.332 1
1 977 . 3 1 1 X 88 88 GLU CA C 81 59.632 59.227 0.405 1
1 978 . 3 1 1 X 88 88 GLU CB C 81 29.649 29.292 0.357 1
1 980 . 3 1 1 X 88 88 GLU N N 81 118.920 119.363 -0.443 1
1 981 . 3 1 1 X 89 89 TRP H H 82 8.682 8.251 0.431 1
1 982 . 3 1 1 X 89 89 TRP HA H 82 4.201 4.282 -0.081 1
1 991 . 3 1 1 X 89 89 TRP C C 82 179.807 178.335 1.472 1
1 992 . 3 1 1 X 89 89 TRP CA C 82 63.110 60.778 2.332 1
1 993 . 3 1 1 X 89 89 TRP CB C 82 29.285 29.572 -0.287 1
1 999 . 3 1 1 X 89 89 TRP N N 82 122.152 122.043 0.109 1
1 1001 . 3 1 1 X 90 90 ARG H H 83 9.025 8.575 0.450 1
1 1002 . 3 1 1 X 90 90 ARG HA H 83 3.295 3.919 -0.624 1
1 1009 . 3 1 1 X 90 90 ARG C C 83 178.120 178.053 0.067 1
1 1010 . 3 1 1 X 90 90 ARG CA C 83 60.895 59.583 1.312 1
1 1011 . 3 1 1 X 90 90 ARG CB C 83 28.668 29.655 -0.987 1
1 1014 . 3 1 1 X 90 90 ARG N N 83 118.380 119.796 -1.416 1
1 1015 . 3 1 1 X 91 91 ALA H H 84 7.759 8.045 -0.286 1
1 1016 . 3 1 1 X 91 91 ALA HA H 84 4.151 4.058 0.093 1
1 1020 . 3 1 1 X 91 91 ALA C C 84 181.466 180.036 1.430 1
1 1021 . 3 1 1 X 91 91 ALA CA C 84 55.217 54.870 0.347 1
1 1022 . 3 1 1 X 91 91 ALA CB C 84 18.175 17.991 0.184 1
1 1023 . 3 1 1 X 91 91 ALA N N 84 120.210 120.753 -0.543 1
1 1024 . 3 1 1 X 92 92 ALA H H 85 7.943 7.649 0.294 1
1 1025 . 3 1 1 X 92 92 ALA HA H 85 4.081 4.011 0.070 1
1 1029 . 3 1 1 X 92 92 ALA C C 85 178.324 180.031 -1.707 1
1 1030 . 3 1 1 X 92 92 ALA CA C 85 54.244 54.913 -0.669 1
1 1031 . 3 1 1 X 92 92 ALA CB C 85 18.306 18.345 -0.039 1
1 1032 . 3 1 1 X 92 92 ALA N N 85 120.470 120.674 -0.204 1
1 1033 . 3 1 1 X 93 93 ASN H H 86 7.005 7.582 -0.577 1
1 1034 . 3 1 1 X 93 93 ASN HA H 86 4.475 4.479 -0.004 1
1 1039 . 3 1 1 X 93 93 ASN C C 86 174.108 175.320 -1.212 1
1 1040 . 3 1 1 X 93 93 ASN CA C 86 53.347 53.228 0.119 1
1 1041 . 3 1 1 X 93 93 ASN CB C 86 39.379 38.549 0.830 1
1 1043 . 3 1 1 X 93 93 ASN N N 86 113.372 114.421 -1.049 1
1 1045 . 3 1 1 X 94 94 GLY H H 87 7.535 7.894 -0.359 1
1 1046 . 3 1 1 X 94 94 GLY HA2 H 87 3.810 3.810 0.000 1
1 1047 . 3 1 1 X 94 94 GLY HA3 H 87 3.810 3.813 -0.003 1
1 1048 . 3 1 1 X 94 94 GLY C C 87 174.481 174.053 0.428 1
1 1049 . 3 1 1 X 94 94 GLY CA C 87 47.230 45.725 1.505 1
1 1050 . 3 1 1 X 94 94 GLY N N 87 108.152 107.643 0.509 1
1 1051 . 3 1 1 X 95 95 LYS H H 88 8.037 7.985 0.052 1
1 1052 . 3 1 1 X 95 95 LYS HA H 88 4.654 4.620 0.034 1
1 1061 . 3 1 1 X 95 95 LYS CA C 88 53.357 53.001 0.356 1
1 1062 . 3 1 1 X 95 95 LYS CB C 88 32.741 33.365 -0.624 1
1 1066 . 3 1 1 X 95 95 LYS N N 88 119.147 120.671 -1.524 1
1 1067 . 3 1 1 X 96 96 PRO HA H 89 4.275 4.335 -0.060 1
1 1074 . 3 1 1 X 96 96 PRO C C 89 176.696 176.889 -0.193 1
1 1075 . 3 1 1 X 96 96 PRO CA C 89 63.482 63.557 -0.075 1
1 1076 . 3 1 1 X 96 96 PRO CB C 89 32.981 31.985 0.996 1
1 1079 . 3 1 1 X 97 97 GLY H H 90 8.336 8.413 -0.077 1
1 1080 . 3 1 1 X 97 97 GLY HA2 H 90 4.074 3.687 0.387 1
1 1081 . 3 1 1 X 97 97 GLY HA3 H 90 3.615 3.780 -0.165 1
1 1082 . 3 1 1 X 97 97 GLY C C 90 173.388 173.452 -0.064 1
1 1083 . 3 1 1 X 97 97 GLY CA C 90 43.347 44.108 -0.761 1
1 1084 . 3 1 1 X 97 97 GLY N N 90 110.343 109.082 1.261 1
1 1085 . 3 1 1 X 98 98 PHE H H 91 7.749 7.893 -0.144 1
1 1086 . 3 1 1 X 98 98 PHE HA H 91 4.527 4.740 -0.213 1
1 1094 . 3 1 1 X 98 98 PHE C C 91 177.021 175.569 1.452 1
1 1095 . 3 1 1 X 98 98 PHE CA C 91 59.184 58.182 1.002 1
1 1096 . 3 1 1 X 98 98 PHE CB C 91 40.005 40.535 -0.530 1
1 1102 . 3 1 1 X 98 98 PHE N N 91 116.151 120.670 -4.519 1
1 1103 . 3 1 1 X 99 99 LYS H H 92 8.531 8.645 -0.114 1
1 1104 . 3 1 1 X 99 99 LYS HA H 92 4.178 4.437 -0.259 1
1 1113 . 3 1 1 X 99 99 LYS C C 92 176.542 176.153 0.389 1
1 1114 . 3 1 1 X 99 99 LYS CA C 92 57.292 55.654 1.638 1
1 1115 . 3 1 1 X 99 99 LYS CB C 92 32.875 33.346 -0.471 1
1 1119 . 3 1 1 X 99 99 LYS N N 92 123.602 119.916 3.686 1
1 1120 . 3 1 1 X 100 100 GLN H H 93 8.633 8.573 0.060 1
1 1121 . 3 1 1 X 100 100 GLN HA H 93 4.297 4.883 -0.586 1
1 1128 . 3 1 1 X 100 100 GLN C C 93 175.318 175.707 -0.389 1
1 1129 . 3 1 1 X 100 100 GLN CA C 93 56.479 55.032 1.447 1
1 1130 . 3 1 1 X 100 100 GLN CB C 93 29.751 30.430 -0.679 1
1 1133 . 3 1 1 X 100 100 GLN N N 93 125.089 120.011 5.078 1
1 12 . 4 1 1 X 10 10 LEU H H 3 8.121 8.536 -0.415 1
1 13 . 4 1 1 X 10 10 LEU HA H 3 4.240 5.237 -0.997 1
1 23 . 4 1 1 X 10 10 LEU C C 3 176.909 176.312 0.597 1
1 24 . 4 1 1 X 10 10 LEU CA C 3 54.748 53.403 1.345 1
1 25 . 4 1 1 X 10 10 LEU CB C 3 41.272 43.288 -2.016 1
1 29 . 4 1 1 X 10 10 LEU N N 3 123.688 122.060 1.628 1
1 30 . 4 1 1 X 11 11 LYS H H 4 7.677 8.934 -1.257 1
1 31 . 4 1 1 X 11 11 LYS HA H 4 4.404 4.644 -0.240 1
1 40 . 4 1 1 X 11 11 LYS C C 4 176.184 177.288 -1.104 1
1 41 . 4 1 1 X 11 11 LYS CA C 4 55.828 54.327 1.501 1
1 42 . 4 1 1 X 11 11 LYS CB C 4 33.482 34.705 -1.223 1
1 46 . 4 1 1 X 11 11 LYS N N 4 122.221 122.259 -0.038 1
1 47 . 4 1 1 X 12 12 ASN H H 5 8.538 8.916 -0.378 1
1 48 . 4 1 1 X 12 12 ASN HA H 5 4.685 4.836 -0.151 1
1 53 . 4 1 1 X 12 12 ASN C C 5 174.925 175.489 -0.564 1
1 54 . 4 1 1 X 12 12 ASN CA C 5 55.721 55.205 0.516 1
1 55 . 4 1 1 X 12 12 ASN CB C 5 40.409 40.373 0.036 1
1 57 . 4 1 1 X 12 12 ASN N N 5 116.610 118.460 -1.850 1
1 59 . 4 1 1 X 13 13 SER H H 6 8.144 7.813 0.331 1
1 60 . 4 1 1 X 13 13 SER HA H 6 4.819 4.856 -0.037 1
1 63 . 4 1 1 X 13 13 SER C C 6 175.123 175.198 -0.075 1
1 64 . 4 1 1 X 13 13 SER CA C 6 56.778 55.666 1.112 1
1 65 . 4 1 1 X 13 13 SER CB C 6 65.949 66.989 -1.040 1
1 66 . 4 1 1 X 13 13 SER N N 6 112.138 111.071 1.067 1
1 67 . 4 1 1 X 14 14 ILE H H 7 9.318 8.732 0.586 1
1 68 . 4 1 1 X 14 14 ILE HA H 7 3.966 4.169 -0.203 1
1 78 . 4 1 1 X 14 14 ILE C C 7 175.537 178.220 -2.683 1
1 79 . 4 1 1 X 14 14 ILE CA C 7 64.956 63.667 1.289 1
1 80 . 4 1 1 X 14 14 ILE CB C 7 37.062 37.846 -0.784 1
1 84 . 4 1 1 X 14 14 ILE N N 7 126.034 124.349 1.685 1
1 85 . 4 1 1 X 15 15 SER H H 8 7.504 8.198 -0.694 1
1 86 . 4 1 1 X 15 15 SER HA H 8 4.694 4.406 0.288 1
1 89 . 4 1 1 X 15 15 SER C C 8 174.278 174.767 -0.489 1
1 90 . 4 1 1 X 15 15 SER CA C 8 59.481 60.696 -1.215 1
1 91 . 4 1 1 X 15 15 SER CB C 8 63.241 63.424 -0.183 1
1 92 . 4 1 1 X 15 15 SER N N 8 112.517 117.493 -4.976 1
1 93 . 4 1 1 X 16 16 ASP H H 9 7.783 7.767 0.016 1
1 94 . 4 1 1 X 16 16 ASP HA H 9 4.791 4.740 0.051 1
1 97 . 4 1 1 X 16 16 ASP C C 9 175.976 175.970 0.006 1
1 98 . 4 1 1 X 16 16 ASP CA C 9 55.243 53.663 1.580 1
1 99 . 4 1 1 X 16 16 ASP CB C 9 43.327 40.923 2.404 1
1 100 . 4 1 1 X 16 16 ASP N N 9 117.795 119.738 -1.943 1
1 101 . 4 1 1 X 17 17 TYR H H 10 8.279 7.669 0.610 1
1 102 . 4 1 1 X 17 17 TYR HA H 10 4.962 5.067 -0.105 1
1 109 . 4 1 1 X 17 17 TYR C C 10 177.535 176.256 1.279 1
1 110 . 4 1 1 X 17 17 TYR CA C 10 58.573 57.537 1.036 1
1 111 . 4 1 1 X 17 17 TYR CB C 10 41.015 40.188 0.827 1
1 116 . 4 1 1 X 17 17 TYR N N 10 120.484 118.681 1.803 1
1 117 . 4 1 1 X 18 18 THR H H 11 8.796 8.885 -0.089 1
1 118 . 4 1 1 X 18 18 THR HA H 11 5.040 5.217 -0.177 1
1 123 . 4 1 1 X 18 18 THR C C 11 176.099 176.110 -0.011 1
1 124 . 4 1 1 X 18 18 THR CA C 11 60.775 60.616 0.159 1
1 125 . 4 1 1 X 18 18 THR CB C 11 71.041 70.665 0.376 1
1 127 . 4 1 1 X 18 18 THR N N 11 112.143 116.930 -4.787 1
1 128 . 4 1 1 X 19 19 GLU H H 12 9.173 9.009 0.164 1
1 129 . 4 1 1 X 19 19 GLU HA H 12 2.757 3.560 -0.803 1
1 134 . 4 1 1 X 19 19 GLU C C 12 178.378 178.675 -0.297 1
1 135 . 4 1 1 X 19 19 GLU CA C 12 60.906 58.876 2.030 1
1 136 . 4 1 1 X 19 19 GLU CB C 12 29.442 28.833 0.609 1
1 138 . 4 1 1 X 19 19 GLU N N 12 122.386 121.245 1.141 1
1 139 . 4 1 1 X 20 20 ALA H H 13 8.356 8.163 0.193 1
1 140 . 4 1 1 X 20 20 ALA HA H 13 4.069 4.112 -0.043 1
1 144 . 4 1 1 X 20 20 ALA C C 13 181.816 179.721 2.095 1
1 145 . 4 1 1 X 20 20 ALA CA C 13 55.388 54.992 0.396 1
1 146 . 4 1 1 X 20 20 ALA CB C 13 18.308 18.417 -0.109 1
1 147 . 4 1 1 X 20 20 ALA N N 13 118.695 122.631 -3.936 1
1 148 . 4 1 1 X 21 21 GLU H H 14 8.013 8.246 -0.233 1
1 149 . 4 1 1 X 21 21 GLU HA H 14 4.131 4.126 0.005 1
1 154 . 4 1 1 X 21 21 GLU C C 14 179.649 179.274 0.375 1
1 155 . 4 1 1 X 21 21 GLU CA C 14 58.916 59.188 -0.272 1
1 156 . 4 1 1 X 21 21 GLU CB C 14 31.632 29.671 1.961 1
1 158 . 4 1 1 X 21 21 GLU N N 14 118.978 119.335 -0.357 1
1 159 . 4 1 1 X 22 22 PHE H H 15 8.635 8.280 0.355 1
1 160 . 4 1 1 X 22 22 PHE HA H 15 4.049 4.178 -0.129 1
1 167 . 4 1 1 X 22 22 PHE C C 15 177.402 177.533 -0.131 1
1 168 . 4 1 1 X 22 22 PHE CA C 15 62.183 61.280 0.903 1
1 169 . 4 1 1 X 22 22 PHE CB C 15 40.545 38.933 1.612 1
1 174 . 4 1 1 X 22 22 PHE N N 15 124.639 121.644 2.995 1
1 175 . 4 1 1 X 23 23 VAL H H 16 8.647 8.540 0.107 1
1 176 . 4 1 1 X 23 23 VAL HA H 16 3.416 3.743 -0.327 1
1 184 . 4 1 1 X 23 23 VAL C C 16 177.798 177.738 0.060 1
1 185 . 4 1 1 X 23 23 VAL CA C 16 67.917 66.402 1.515 1
1 186 . 4 1 1 X 23 23 VAL CB C 16 31.579 31.369 0.210 1
1 189 . 4 1 1 X 23 23 VAL N N 16 119.817 118.794 1.023 1
1 190 . 4 1 1 X 24 24 GLN H H 17 7.569 8.354 -0.785 1
1 191 . 4 1 1 X 24 24 GLN HA H 17 3.943 3.997 -0.054 1
1 198 . 4 1 1 X 24 24 GLN C C 17 178.313 178.145 0.168 1
1 199 . 4 1 1 X 24 24 GLN CA C 17 59.289 59.157 0.132 1
1 200 . 4 1 1 X 24 24 GLN CB C 17 27.814 28.036 -0.222 1
1 203 . 4 1 1 X 24 24 GLN N N 17 117.658 121.155 -3.497 1
1 205 . 4 1 1 X 25 25 LEU H H 18 7.512 7.609 -0.097 1
1 206 . 4 1 1 X 25 25 LEU HA H 18 4.136 4.010 0.126 1
1 216 . 4 1 1 X 25 25 LEU C C 18 178.440 177.995 0.445 1
1 217 . 4 1 1 X 25 25 LEU CA C 18 58.651 57.927 0.724 1
1 218 . 4 1 1 X 25 25 LEU CB C 18 40.626 41.498 -0.872 1
1 222 . 4 1 1 X 25 25 LEU N N 18 122.037 121.105 0.932 1
1 223 . 4 1 1 X 26 26 LEU H H 19 7.761 8.393 -0.632 1
1 224 . 4 1 1 X 26 26 LEU HA H 19 3.748 3.621 0.127 1
1 234 . 4 1 1 X 26 26 LEU C C 19 180.080 179.339 0.741 1
1 235 . 4 1 1 X 26 26 LEU CA C 19 58.041 58.031 0.010 1
1 236 . 4 1 1 X 26 26 LEU CB C 19 41.009 41.342 -0.333 1
1 240 . 4 1 1 X 26 26 LEU N N 19 118.502 118.297 0.205 1
1 241 . 4 1 1 X 27 27 LYS H H 20 8.357 8.357 0.000 1
1 242 . 4 1 1 X 27 27 LYS HA H 20 4.019 3.894 0.125 1
1 251 . 4 1 1 X 27 27 LYS C C 20 179.559 179.512 0.047 1
1 252 . 4 1 1 X 27 27 LYS CA C 20 59.648 59.920 -0.272 1
1 253 . 4 1 1 X 27 27 LYS CB C 20 31.995 31.988 0.007 1
1 257 . 4 1 1 X 27 27 LYS N N 20 120.427 117.404 3.023 1
1 258 . 4 1 1 X 28 28 GLU H H 21 8.123 7.620 0.503 1
1 259 . 4 1 1 X 28 28 GLU HA H 21 4.082 4.048 0.034 1
1 264 . 4 1 1 X 28 28 GLU C C 21 179.063 179.234 -0.171 1
1 265 . 4 1 1 X 28 28 GLU CA C 21 59.406 59.166 0.240 1
1 266 . 4 1 1 X 28 28 GLU CB C 21 29.146 29.112 0.034 1
1 268 . 4 1 1 X 28 28 GLU N N 21 122.374 119.902 2.472 1
1 269 . 4 1 1 X 29 29 ILE H H 22 8.049 8.198 -0.149 1
1 270 . 4 1 1 X 29 29 ILE HA H 22 3.343 3.494 -0.151 1
1 280 . 4 1 1 X 29 29 ILE C C 22 177.151 177.842 -0.691 1
1 281 . 4 1 1 X 29 29 ILE CA C 22 66.435 65.735 0.700 1
1 282 . 4 1 1 X 29 29 ILE CB C 22 37.954 37.577 0.377 1
1 286 . 4 1 1 X 29 29 ILE N N 22 120.195 121.286 -1.091 1
1 287 . 4 1 1 X 30 30 GLU H H 23 7.820 8.084 -0.264 1
1 288 . 4 1 1 X 30 30 GLU HA H 23 3.983 3.766 0.217 1
1 293 . 4 1 1 X 30 30 GLU C C 23 178.990 179.175 -0.185 1
1 294 . 4 1 1 X 30 30 GLU CA C 23 59.460 59.797 -0.337 1
1 295 . 4 1 1 X 30 30 GLU CB C 23 30.012 29.430 0.582 1
1 297 . 4 1 1 X 30 30 GLU N N 23 118.917 118.688 0.229 1
1 298 . 4 1 1 X 31 31 LYS H H 24 7.678 7.575 0.103 1
1 299 . 4 1 1 X 31 31 LYS HA H 24 4.059 3.935 0.124 1
1 308 . 4 1 1 X 31 31 LYS C C 24 179.231 178.884 0.347 1
1 309 . 4 1 1 X 31 31 LYS CA C 24 59.152 59.800 -0.648 1
1 310 . 4 1 1 X 31 31 LYS CB C 24 32.712 32.454 0.258 1
1 314 . 4 1 1 X 31 31 LYS N N 24 118.807 119.831 -1.024 1
1 315 . 4 1 1 X 32 32 GLU H H 25 8.182 7.930 0.252 1
1 316 . 4 1 1 X 32 32 GLU HA H 25 4.309 4.093 0.216 1
1 321 . 4 1 1 X 32 32 GLU C C 25 177.897 179.086 -1.189 1
1 322 . 4 1 1 X 32 32 GLU CA C 25 57.449 59.088 -1.639 1
1 323 . 4 1 1 X 32 32 GLU CB C 25 29.522 29.387 0.135 1
1 325 . 4 1 1 X 32 32 GLU N N 25 118.578 117.582 0.996 1
1 326 . 4 1 1 X 33 33 ASN H H 26 8.343 8.590 -0.247 1
1 327 . 4 1 1 X 33 33 ASN HA H 26 4.608 4.413 0.195 1
1 330 . 4 1 1 X 33 33 ASN C C 26 176.524 177.255 -0.731 1
1 331 . 4 1 1 X 33 33 ASN CA C 26 55.463 56.185 -0.722 1
1 332 . 4 1 1 X 33 33 ASN CB C 26 39.074 38.714 0.360 1
1 333 . 4 1 1 X 33 33 ASN N N 26 118.483 118.781 -0.298 1
1 334 . 4 1 1 X 34 34 VAL H H 27 7.434 7.495 -0.061 1
1 335 . 4 1 1 X 34 34 VAL HA H 27 4.182 4.101 0.081 1
1 343 . 4 1 1 X 34 34 VAL C C 27 176.315 176.489 -0.174 1
1 344 . 4 1 1 X 34 34 VAL CA C 27 62.829 63.402 -0.573 1
1 345 . 4 1 1 X 34 34 VAL CB C 27 32.178 31.628 0.550 1
1 348 . 4 1 1 X 34 34 VAL N N 27 114.036 115.084 -1.048 1
1 349 . 4 1 1 X 35 35 ALA H H 28 7.648 7.503 0.145 1
1 350 . 4 1 1 X 35 35 ALA HA H 28 4.346 4.351 -0.005 1
1 354 . 4 1 1 X 35 35 ALA C C 28 177.126 176.724 0.402 1
1 355 . 4 1 1 X 35 35 ALA CA C 28 52.712 52.146 0.566 1
1 356 . 4 1 1 X 35 35 ALA CB C 28 19.915 19.985 -0.070 1
1 357 . 4 1 1 X 35 35 ALA N N 28 124.066 123.902 0.164 1
1 358 . 4 1 1 X 36 36 ALA H H 29 8.337 8.100 0.237 1
1 359 . 4 1 1 X 36 36 ALA HA H 29 4.260 3.980 0.280 1
1 363 . 4 1 1 X 36 36 ALA C C 29 177.999 177.723 0.276 1
1 364 . 4 1 1 X 36 36 ALA CA C 29 53.660 52.782 0.878 1
1 365 . 4 1 1 X 36 36 ALA CB C 29 19.175 17.553 1.622 1
1 366 . 4 1 1 X 36 36 ALA N N 29 121.695 119.171 2.524 1
1 367 . 4 1 1 X 37 37 THR H H 30 8.093 8.072 0.021 1
1 368 . 4 1 1 X 37 37 THR HA H 30 4.533 4.489 0.044 1
1 373 . 4 1 1 X 37 37 THR C C 30 174.715 175.556 -0.841 1
1 374 . 4 1 1 X 37 37 THR CA C 30 60.860 62.553 -1.693 1
1 375 . 4 1 1 X 37 37 THR CB C 30 70.424 70.494 -0.070 1
1 377 . 4 1 1 X 37 37 THR N N 30 110.112 112.998 -2.886 1
1 378 . 4 1 1 X 38 38 ASP H H 31 8.488 8.002 0.486 1
1 379 . 4 1 1 X 38 38 ASP HA H 31 4.685 4.262 0.423 1
1 382 . 4 1 1 X 38 38 ASP C C 31 175.896 175.663 0.233 1
1 383 . 4 1 1 X 38 38 ASP CA C 31 54.704 56.619 -1.915 1
1 384 . 4 1 1 X 38 38 ASP CB C 31 41.389 38.547 2.842 1
1 385 . 4 1 1 X 38 38 ASP N N 31 121.899 116.425 5.474 1
1 386 . 4 1 1 X 39 39 ASP H H 32 8.368 8.605 -0.237 1
1 387 . 4 1 1 X 39 39 ASP HA H 32 4.459 4.394 0.065 1
1 390 . 4 1 1 X 39 39 ASP C C 32 177.499 177.971 -0.472 1
1 391 . 4 1 1 X 39 39 ASP CA C 32 56.443 57.219 -0.776 1
1 392 . 4 1 1 X 39 39 ASP CB C 32 40.737 41.169 -0.432 1
1 393 . 4 1 1 X 39 39 ASP N N 32 118.770 119.969 -1.199 1
1 394 . 4 1 1 X 40 40 VAL H H 33 7.963 8.053 -0.090 1
1 395 . 4 1 1 X 40 40 VAL HA H 33 3.800 3.889 -0.089 1
1 403 . 4 1 1 X 40 40 VAL C C 33 177.362 177.426 -0.064 1
1 404 . 4 1 1 X 40 40 VAL CA C 33 64.970 64.747 0.223 1
1 405 . 4 1 1 X 40 40 VAL CB C 33 32.256 31.432 0.824 1
1 408 . 4 1 1 X 40 40 VAL N N 33 119.409 118.050 1.359 1
1 409 . 4 1 1 X 41 41 LEU H H 34 8.508 7.756 0.752 1
1 410 . 4 1 1 X 41 41 LEU HA H 34 3.857 3.913 -0.056 1
1 420 . 4 1 1 X 41 41 LEU C C 34 177.633 178.065 -0.432 1
1 421 . 4 1 1 X 41 41 LEU CA C 34 58.428 58.517 -0.089 1
1 422 . 4 1 1 X 41 41 LEU CB C 34 41.755 41.297 0.458 1
1 426 . 4 1 1 X 41 41 LEU N N 34 122.150 122.231 -0.081 1
1 427 . 4 1 1 X 42 42 ASP H H 35 8.236 8.225 0.011 1
1 428 . 4 1 1 X 42 42 ASP HA H 35 4.370 4.410 -0.040 1
1 431 . 4 1 1 X 42 42 ASP C C 35 179.155 178.896 0.259 1
1 432 . 4 1 1 X 42 42 ASP CA C 35 57.925 57.367 0.558 1
1 433 . 4 1 1 X 42 42 ASP CB C 35 40.417 41.212 -0.795 1
1 434 . 4 1 1 X 42 42 ASP N N 35 116.374 118.869 -2.495 1
1 435 . 4 1 1 X 43 43 VAL H H 36 7.320 7.623 -0.303 1
1 436 . 4 1 1 X 43 43 VAL HA H 36 3.782 3.635 0.147 1
1 444 . 4 1 1 X 43 43 VAL C C 36 179.309 178.214 1.095 1
1 445 . 4 1 1 X 43 43 VAL CA C 36 66.080 66.651 -0.571 1
1 446 . 4 1 1 X 43 43 VAL CB C 36 32.245 31.630 0.615 1
1 449 . 4 1 1 X 43 43 VAL N N 36 119.754 119.921 -0.167 1
1 450 . 4 1 1 X 44 44 LEU H H 37 8.122 8.590 -0.468 1
1 451 . 4 1 1 X 44 44 LEU HA H 37 4.008 4.075 -0.067 1
1 461 . 4 1 1 X 44 44 LEU C C 37 179.518 179.298 0.220 1
1 462 . 4 1 1 X 44 44 LEU CA C 37 58.048 57.854 0.194 1
1 463 . 4 1 1 X 44 44 LEU CB C 37 42.374 41.756 0.618 1
1 467 . 4 1 1 X 44 44 LEU N N 37 120.608 118.900 1.708 1
1 468 . 4 1 1 X 45 45 LEU H H 38 8.898 8.398 0.500 1
1 469 . 4 1 1 X 45 45 LEU HA H 38 4.030 3.958 0.072 1
1 479 . 4 1 1 X 45 45 LEU C C 38 179.166 179.358 -0.192 1
1 480 . 4 1 1 X 45 45 LEU CA C 38 58.184 58.225 -0.041 1
1 481 . 4 1 1 X 45 45 LEU CB C 38 41.506 41.385 0.121 1
1 485 . 4 1 1 X 45 45 LEU N N 38 119.199 118.688 0.511 1
1 486 . 4 1 1 X 46 46 GLU H H 39 7.964 8.286 -0.322 1
1 487 . 4 1 1 X 46 46 GLU HA H 39 4.066 4.051 0.015 1
1 492 . 4 1 1 X 46 46 GLU C C 39 178.995 178.998 -0.003 1
1 493 . 4 1 1 X 46 46 GLU CA C 39 59.769 59.702 0.067 1
1 494 . 4 1 1 X 46 46 GLU CB C 39 29.577 29.304 0.273 1
1 496 . 4 1 1 X 46 46 GLU N N 39 119.334 118.460 0.874 1
1 497 . 4 1 1 X 47 47 HIS H H 40 8.009 8.669 -0.660 1
1 498 . 4 1 1 X 47 47 HIS HA H 40 4.416 4.393 0.023 1
1 503 . 4 1 1 X 47 47 HIS C C 40 176.115 176.938 -0.823 1
1 504 . 4 1 1 X 47 47 HIS CA C 40 60.151 58.864 1.287 1
1 505 . 4 1 1 X 47 47 HIS CB C 40 30.389 30.429 -0.040 1
1 508 . 4 1 1 X 47 47 HIS N N 40 119.610 120.018 -0.408 1
1 509 . 4 1 1 X 48 48 PHE H H 41 8.711 8.578 0.133 1
1 510 . 4 1 1 X 48 48 PHE HA H 41 3.808 4.264 -0.456 1
1 518 . 4 1 1 X 48 48 PHE C C 41 178.023 177.229 0.794 1
1 519 . 4 1 1 X 48 48 PHE CA C 41 62.654 61.376 1.278 1
1 520 . 4 1 1 X 48 48 PHE CB C 41 39.408 39.399 0.009 1
1 526 . 4 1 1 X 48 48 PHE N N 41 118.110 120.288 -2.178 1
1 527 . 4 1 1 X 49 49 VAL H H 42 8.439 8.346 0.093 1
1 528 . 4 1 1 X 49 49 VAL HA H 42 3.359 3.616 -0.257 1
1 536 . 4 1 1 X 49 49 VAL C C 42 178.340 177.557 0.783 1
1 537 . 4 1 1 X 49 49 VAL CA C 42 67.276 64.497 2.779 1
1 538 . 4 1 1 X 49 49 VAL CB C 42 32.235 31.430 0.805 1
1 541 . 4 1 1 X 49 49 VAL N N 42 121.301 118.711 2.590 1
1 542 . 4 1 1 X 50 50 LYS H H 43 8.091 8.658 -0.567 1
1 543 . 4 1 1 X 50 50 LYS HA H 43 3.973 4.031 -0.058 1
1 552 . 4 1 1 X 50 50 LYS C C 43 178.985 178.197 0.788 1
1 553 . 4 1 1 X 50 50 LYS CA C 43 59.580 58.917 0.663 1
1 554 . 4 1 1 X 50 50 LYS CB C 43 32.784 31.724 1.060 1
1 558 . 4 1 1 X 50 50 LYS N N 43 120.887 119.840 1.047 1
1 559 . 4 1 1 X 51 51 ILE H H 44 8.347 7.236 1.111 1
1 560 . 4 1 1 X 51 51 ILE HA H 44 4.159 3.836 0.323 1
1 570 . 4 1 1 X 51 51 ILE C C 44 178.121 177.815 0.306 1
1 571 . 4 1 1 X 51 51 ILE CA C 44 62.328 64.016 -1.688 1
1 572 . 4 1 1 X 51 51 ILE CB C 44 37.576 37.564 0.012 1
1 576 . 4 1 1 X 51 51 ILE N N 44 111.354 116.875 -5.521 1
1 577 . 4 1 1 X 52 52 THR H H 45 7.588 7.474 0.114 1
1 578 . 4 1 1 X 52 52 THR HA H 45 3.683 4.104 -0.421 1
1 583 . 4 1 1 X 52 52 THR C C 45 176.285 174.116 2.169 1
1 584 . 4 1 1 X 52 52 THR CA C 45 65.803 64.958 0.845 1
1 585 . 4 1 1 X 52 52 THR CB C 45 69.689 69.141 0.548 1
1 587 . 4 1 1 X 52 52 THR N N 45 109.646 116.511 -6.865 1
1 588 . 4 1 1 X 53 53 GLU H H 46 7.366 8.037 -0.671 1
1 589 . 4 1 1 X 53 53 GLU HA H 46 3.836 4.026 -0.190 1
1 594 . 4 1 1 X 53 53 GLU C C 46 173.418 174.551 -1.133 1
1 595 . 4 1 1 X 53 53 GLU CA C 46 57.709 57.315 0.394 1
1 596 . 4 1 1 X 53 53 GLU CB C 46 29.067 27.355 1.712 1
1 598 . 4 1 1 X 53 53 GLU N N 46 112.606 119.528 -6.922 1
1 599 . 4 1 1 X 54 54 HIS H H 47 7.127 7.624 -0.497 1
1 600 . 4 1 1 X 54 54 HIS HA H 47 3.070 3.418 -0.348 1
1 605 . 4 1 1 X 54 54 HIS CA C 47 55.826 54.670 1.156 1
1 606 . 4 1 1 X 54 54 HIS CB C 47 32.124 30.908 1.216 1
1 609 . 4 1 1 X 54 54 HIS N N 47 119.651 119.147 0.504 1
1 610 . 4 1 1 X 55 55 PRO HA H 48 4.143 4.389 -0.246 1
1 617 . 4 1 1 X 55 55 PRO CA C 48 64.843 64.313 0.530 1
1 618 . 4 1 1 X 55 55 PRO CB C 48 32.350 31.590 0.760 1
1 621 . 4 1 1 X 56 56 ASP H H 49 10.605 7.668 2.937 1
1 622 . 4 1 1 X 56 56 ASP HA H 49 4.712 5.047 -0.335 1
1 625 . 4 1 1 X 56 56 ASP C C 49 178.187 177.430 0.757 1
1 626 . 4 1 1 X 56 56 ASP CA C 49 54.989 53.787 1.202 1
1 627 . 4 1 1 X 56 56 ASP CB C 49 40.657 42.029 -1.372 1
1 628 . 4 1 1 X 56 56 ASP N N 49 121.022 118.021 3.001 1
1 629 . 4 1 1 X 57 57 GLY H H 50 8.011 8.152 -0.141 1
1 630 . 4 1 1 X 57 57 GLY HA2 H 50 4.122 4.010 0.112 1
1 631 . 4 1 1 X 57 57 GLY HA3 H 50 3.701 4.104 -0.403 1
1 632 . 4 1 1 X 57 57 GLY C C 50 175.337 176.490 -1.153 1
1 633 . 4 1 1 X 57 57 GLY CA C 50 47.435 47.613 -0.178 1
1 634 . 4 1 1 X 57 57 GLY N N 50 108.190 109.364 -1.174 1
1 635 . 4 1 1 X 58 58 THR H H 51 9.047 8.177 0.870 1
1 636 . 4 1 1 X 58 58 THR HA H 51 3.730 4.031 -0.301 1
1 641 . 4 1 1 X 58 58 THR C C 51 176.082 176.428 -0.346 1
1 642 . 4 1 1 X 58 58 THR CA C 51 64.795 65.782 -0.987 1
1 643 . 4 1 1 X 58 58 THR CB C 51 68.398 68.475 -0.077 1
1 645 . 4 1 1 X 58 58 THR N N 51 114.996 116.866 -1.870 1
1 646 . 4 1 1 X 59 59 ALA H H 52 8.142 8.188 -0.046 1
1 647 . 4 1 1 X 59 59 ALA HA H 52 4.205 4.151 0.054 1
1 651 . 4 1 1 X 59 59 ALA C C 52 179.373 180.203 -0.830 1
1 652 . 4 1 1 X 59 59 ALA CA C 52 55.625 55.158 0.467 1
1 653 . 4 1 1 X 59 59 ALA CB C 52 18.416 18.407 0.009 1
1 654 . 4 1 1 X 59 59 ALA N N 52 125.565 123.972 1.593 1
1 655 . 4 1 1 X 60 60 LEU H H 53 7.399 8.300 -0.901 1
1 656 . 4 1 1 X 60 60 LEU HA H 53 3.835 3.934 -0.099 1
1 666 . 4 1 1 X 60 60 LEU C C 53 178.601 179.324 -0.723 1
1 667 . 4 1 1 X 60 60 LEU CA C 53 58.031 58.011 0.020 1
1 668 . 4 1 1 X 60 60 LEU CB C 53 43.487 42.654 0.833 1
1 672 . 4 1 1 X 60 60 LEU N N 53 114.763 118.618 -3.855 1
1 673 . 4 1 1 X 61 61 ILE H H 54 6.855 7.553 -0.698 1
1 674 . 4 1 1 X 61 61 ILE HA H 54 3.518 3.457 0.061 1
1 684 . 4 1 1 X 61 61 ILE C C 54 178.595 177.591 1.004 1
1 685 . 4 1 1 X 61 61 ILE CA C 54 62.989 64.940 -1.951 1
1 686 . 4 1 1 X 61 61 ILE CB C 54 38.424 37.351 1.073 1
1 690 . 4 1 1 X 61 61 ILE N N 54 114.394 119.363 -4.969 1
1 691 . 4 1 1 X 62 62 TYR H H 55 7.489 8.240 -0.751 1
1 692 . 4 1 1 X 62 62 TYR HA H 55 4.243 4.277 -0.034 1
1 699 . 4 1 1 X 62 62 TYR C C 55 178.634 178.856 -0.222 1
1 700 . 4 1 1 X 62 62 TYR CA C 55 61.518 60.462 1.056 1
1 701 . 4 1 1 X 62 62 TYR CB C 55 37.566 38.020 -0.454 1
1 706 . 4 1 1 X 62 62 TYR N N 55 117.898 120.040 -2.142 1
1 707 . 4 1 1 X 63 63 GLU H H 56 8.659 9.008 -0.349 1
1 708 . 4 1 1 X 63 63 GLU HA H 56 4.441 4.131 0.310 1
1 713 . 4 1 1 X 63 63 GLU C C 56 177.785 178.865 -1.080 1
1 714 . 4 1 1 X 63 63 GLU CA C 56 57.658 59.371 -1.713 1
1 715 . 4 1 1 X 63 63 GLU CB C 56 29.034 29.124 -0.090 1
1 717 . 4 1 1 X 63 63 GLU N N 56 119.392 117.856 1.536 1
1 718 . 4 1 1 X 64 64 ALA H H 57 7.164 8.355 -1.191 1
1 719 . 4 1 1 X 64 64 ALA HA H 57 4.021 4.115 -0.094 1
1 723 . 4 1 1 X 64 64 ALA C C 57 180.327 179.909 0.418 1
1 724 . 4 1 1 X 64 64 ALA CA C 57 55.759 54.922 0.837 1
1 725 . 4 1 1 X 64 64 ALA CB C 57 18.615 18.224 0.391 1
1 726 . 4 1 1 X 64 64 ALA N N 57 121.778 122.526 -0.748 1
1 727 . 4 1 1 X 65 65 ALA H H 58 8.076 8.418 -0.342 1
1 728 . 4 1 1 X 65 65 ALA HA H 58 4.137 3.942 0.195 1
1 732 . 4 1 1 X 65 65 ALA C C 58 180.248 179.506 0.742 1
1 733 . 4 1 1 X 65 65 ALA CA C 58 55.104 54.990 0.114 1
1 734 . 4 1 1 X 65 65 ALA CB C 58 18.071 18.055 0.016 1
1 735 . 4 1 1 X 65 65 ALA N N 58 120.307 119.886 0.421 1
1 736 . 4 1 1 X 66 66 ALA H H 59 7.893 7.599 0.294 1
1 737 . 4 1 1 X 66 66 ALA HA H 59 4.170 4.064 0.106 1
1 741 . 4 1 1 X 66 66 ALA C C 59 180.838 179.466 1.372 1
1 742 . 4 1 1 X 66 66 ALA CA C 59 54.800 55.067 -0.267 1
1 743 . 4 1 1 X 66 66 ALA CB C 59 18.184 18.029 0.155 1
1 744 . 4 1 1 X 66 66 ALA N N 59 122.126 120.103 2.023 1
1 745 . 4 1 1 X 67 67 ARG H H 60 8.139 8.655 -0.516 1
1 746 . 4 1 1 X 67 67 ARG HA H 60 4.065 3.963 0.102 1
1 753 . 4 1 1 X 67 67 ARG C C 60 178.779 178.311 0.468 1
1 754 . 4 1 1 X 67 67 ARG CA C 60 59.282 59.569 -0.287 1
1 755 . 4 1 1 X 67 67 ARG CB C 60 30.863 30.020 0.843 1
1 758 . 4 1 1 X 67 67 ARG N N 60 118.948 118.093 0.855 1
1 759 . 4 1 1 X 68 68 ALA H H 61 7.891 8.404 -0.513 1
1 760 . 4 1 1 X 68 68 ALA HA H 61 4.141 4.130 0.011 1
1 764 . 4 1 1 X 68 68 ALA C C 61 179.329 179.582 -0.253 1
1 765 . 4 1 1 X 68 68 ALA CA C 61 54.340 54.254 0.086 1
1 766 . 4 1 1 X 68 68 ALA CB C 61 18.528 18.498 0.030 1
1 767 . 4 1 1 X 68 68 ALA N N 61 121.473 121.939 -0.466 1
1 768 . 4 1 1 X 69 69 ALA H H 62 7.663 7.657 0.006 1
1 769 . 4 1 1 X 69 69 ALA HA H 62 4.133 4.201 -0.068 1
1 773 . 4 1 1 X 69 69 ALA C C 62 178.591 177.899 0.692 1
1 774 . 4 1 1 X 69 69 ALA CA C 62 53.863 54.848 -0.985 1
1 775 . 4 1 1 X 69 69 ALA CB C 62 18.438 19.198 -0.760 1
1 776 . 4 1 1 X 69 69 ALA N N 62 118.937 119.111 -0.174 1
1 777 . 4 1 1 X 70 70 ALA H H 63 7.488 8.062 -0.574 1
1 778 . 4 1 1 X 70 70 ALA HA H 63 4.280 4.602 -0.322 1
1 782 . 4 1 1 X 70 70 ALA C C 63 177.318 175.960 1.358 1
1 783 . 4 1 1 X 70 70 ALA CA C 63 52.981 50.644 2.337 1
1 784 . 4 1 1 X 70 70 ALA CB C 63 19.324 19.155 0.169 1
1 785 . 4 1 1 X 70 70 ALA N N 63 118.642 119.146 -0.504 1
1 786 . 4 1 1 X 71 71 ASN H H 64 7.631 8.715 -1.084 1
1 787 . 4 1 1 X 71 71 ASN HA H 64 5.077 5.320 -0.243 1
1 792 . 4 1 1 X 71 71 ASN CA C 64 50.877 51.769 -0.892 1
1 793 . 4 1 1 X 71 71 ASN CB C 64 39.243 38.481 0.762 1
1 795 . 4 1 1 X 71 71 ASN N N 64 116.008 122.904 -6.896 1
1 797 . 4 1 1 X 72 72 PRO HA H 65 4.468 4.494 -0.026 1
1 804 . 4 1 1 X 72 72 PRO CA C 65 64.454 63.730 0.724 1
1 805 . 4 1 1 X 72 72 PRO CB C 65 32.007 31.825 0.182 1
1 808 . 4 1 1 X 73 73 GLY H H 66 8.608 7.550 1.058 1
1 809 . 4 1 1 X 73 73 GLY HA2 H 66 3.978 4.144 -0.166 1
1 810 . 4 1 1 X 73 73 GLY HA3 H 66 3.978 4.146 -0.168 1
1 811 . 4 1 1 X 73 73 GLY C C 66 175.054 173.301 1.753 1
1 812 . 4 1 1 X 73 73 GLY CA C 66 45.521 45.423 0.098 1
1 813 . 4 1 1 X 73 73 GLY N N 66 109.435 107.406 2.029 1
1 814 . 4 1 1 X 74 74 GLY H H 67 8.085 8.672 -0.587 1
1 815 . 4 1 1 X 74 74 GLY HA2 H 67 4.132 4.241 -0.109 1
1 816 . 4 1 1 X 74 74 GLY HA3 H 67 3.896 4.242 -0.346 1
1 817 . 4 1 1 X 74 74 GLY C C 67 174.008 174.845 -0.837 1
1 818 . 4 1 1 X 74 74 GLY CA C 67 45.450 45.454 -0.004 1
1 819 . 4 1 1 X 74 74 GLY N N 67 108.472 111.644 -3.172 1
1 820 . 4 1 1 X 75 75 ASP H H 68 8.307 8.184 0.123 1
1 821 . 4 1 1 X 75 75 ASP HA H 68 4.646 4.496 0.150 1
1 824 . 4 1 1 X 75 75 ASP C C 68 176.933 176.686 0.247 1
1 825 . 4 1 1 X 75 75 ASP CA C 68 54.226 56.778 -2.552 1
1 826 . 4 1 1 X 75 75 ASP CB C 68 41.486 41.611 -0.125 1
1 827 . 4 1 1 X 75 75 ASP N N 68 119.941 120.679 -0.738 1
1 828 . 4 1 1 X 76 76 GLY H H 69 8.502 7.315 1.187 1
1 829 . 4 1 1 X 76 76 GLY HA2 H 69 3.966 4.061 -0.095 1
1 830 . 4 1 1 X 76 76 GLY HA3 H 69 3.951 4.068 -0.117 1
1 831 . 4 1 1 X 76 76 GLY C C 69 174.771 174.652 0.119 1
1 832 . 4 1 1 X 76 76 GLY CA C 69 45.744 45.498 0.246 1
1 833 . 4 1 1 X 76 76 GLY N N 69 109.061 106.241 2.820 1
1 834 . 4 1 1 X 77 77 GLY H H 70 8.367 8.712 -0.345 1
1 835 . 4 1 1 X 77 77 GLY HA2 H 70 4.092 3.849 0.243 1
1 836 . 4 1 1 X 77 77 GLY HA3 H 70 3.920 3.853 0.067 1
1 837 . 4 1 1 X 77 77 GLY C C 70 174.782 175.010 -0.228 1
1 838 . 4 1 1 X 77 77 GLY CA C 70 45.327 47.081 -1.754 1
1 839 . 4 1 1 X 77 77 GLY N N 70 108.393 113.059 -4.666 1
1 840 . 4 1 1 X 78 78 GLY H H 71 8.263 8.105 0.158 1
1 841 . 4 1 1 X 78 78 GLY HA2 H 71 4.205 4.119 0.086 1
1 842 . 4 1 1 X 78 78 GLY HA3 H 71 4.092 4.120 -0.028 1
1 843 . 4 1 1 X 78 78 GLY CA C 71 45.581 44.674 0.907 1
1 844 . 4 1 1 X 78 78 GLY N N 71 108.388 108.644 -0.256 1
1 845 . 4 1 1 X 79 79 PRO HA H 72 4.199 4.233 -0.034 1
1 852 . 4 1 1 X 79 79 PRO C C 72 178.000 178.201 -0.201 1
1 853 . 4 1 1 X 79 79 PRO CA C 72 65.568 65.401 0.167 1
1 854 . 4 1 1 X 79 79 PRO CB C 72 32.864 31.170 1.694 1
1 857 . 4 1 1 X 80 80 GLU H H 73 9.283 8.609 0.674 1
1 858 . 4 1 1 X 80 80 GLU HA H 73 3.833 4.176 -0.343 1
1 863 . 4 1 1 X 80 80 GLU C C 73 179.587 177.896 1.691 1
1 864 . 4 1 1 X 80 80 GLU CA C 73 61.125 58.540 2.585 1
1 865 . 4 1 1 X 80 80 GLU CB C 73 28.576 29.285 -0.709 1
1 867 . 4 1 1 X 80 80 GLU N N 73 117.078 117.166 -0.088 1
1 868 . 4 1 1 X 81 81 GLY H H 74 7.926 7.965 -0.039 1
1 869 . 4 1 1 X 81 81 GLY HA2 H 74 3.964 4.014 -0.050 1
1 870 . 4 1 1 X 81 81 GLY HA3 H 74 3.914 4.027 -0.113 1
1 871 . 4 1 1 X 81 81 GLY C C 74 176.538 175.436 1.102 1
1 872 . 4 1 1 X 81 81 GLY CA C 74 47.084 45.541 1.543 1
1 873 . 4 1 1 X 81 81 GLY N N 74 108.577 108.407 0.170 1
1 874 . 4 1 1 X 82 82 ILE H H 75 7.593 7.776 -0.183 1
1 875 . 4 1 1 X 82 82 ILE HA H 75 3.873 3.856 0.017 1
1 885 . 4 1 1 X 82 82 ILE C C 75 178.147 178.193 -0.046 1
1 886 . 4 1 1 X 82 82 ILE CA C 75 65.342 64.971 0.371 1
1 887 . 4 1 1 X 82 82 ILE CB C 75 38.163 37.595 0.568 1
1 891 . 4 1 1 X 82 82 ILE N N 75 123.572 122.482 1.090 1
1 892 . 4 1 1 X 83 83 VAL H H 76 8.135 7.854 0.281 1
1 893 . 4 1 1 X 83 83 VAL HA H 76 3.575 4.157 -0.582 1
1 901 . 4 1 1 X 83 83 VAL C C 76 177.094 177.926 -0.832 1
1 902 . 4 1 1 X 83 83 VAL CA C 76 68.153 65.653 2.500 1
1 903 . 4 1 1 X 83 83 VAL CB C 76 31.653 31.205 0.448 1
1 906 . 4 1 1 X 83 83 VAL N N 76 118.553 121.186 -2.633 1
1 907 . 4 1 1 X 84 84 LYS H H 77 7.803 8.190 -0.387 1
1 908 . 4 1 1 X 84 84 LYS HA H 77 4.006 4.091 -0.085 1
1 917 . 4 1 1 X 84 84 LYS C C 77 178.064 178.716 -0.652 1
1 918 . 4 1 1 X 84 84 LYS CA C 77 60.516 59.561 0.955 1
1 919 . 4 1 1 X 84 84 LYS CB C 77 32.849 32.427 0.422 1
1 923 . 4 1 1 X 84 84 LYS N N 77 119.572 121.179 -1.607 1
1 924 . 4 1 1 X 85 85 GLU H H 78 7.629 8.161 -0.532 1
1 925 . 4 1 1 X 85 85 GLU HA H 78 4.246 4.133 0.113 1
1 930 . 4 1 1 X 85 85 GLU C C 78 179.834 179.406 0.428 1
1 931 . 4 1 1 X 85 85 GLU CA C 78 59.752 59.274 0.478 1
1 932 . 4 1 1 X 85 85 GLU CB C 78 29.189 29.727 -0.538 1
1 934 . 4 1 1 X 85 85 GLU N N 78 118.366 118.625 -0.259 1
1 935 . 4 1 1 X 86 86 ILE H H 79 8.432 8.265 0.167 1
1 936 . 4 1 1 X 86 86 ILE HA H 79 3.781 3.657 0.124 1
1 946 . 4 1 1 X 86 86 ILE C C 79 177.578 178.173 -0.595 1
1 947 . 4 1 1 X 86 86 ILE CA C 79 65.454 65.352 0.102 1
1 948 . 4 1 1 X 86 86 ILE CB C 79 37.940 37.701 0.239 1
1 952 . 4 1 1 X 86 86 ILE N N 79 118.975 120.985 -2.010 1
1 953 . 4 1 1 X 87 87 LYS H H 80 9.096 8.880 0.216 1
1 954 . 4 1 1 X 87 87 LYS HA H 80 3.958 4.047 -0.089 1
1 963 . 4 1 1 X 87 87 LYS C C 80 180.285 178.725 1.560 1
1 964 . 4 1 1 X 87 87 LYS CA C 80 60.290 59.222 1.068 1
1 965 . 4 1 1 X 87 87 LYS CB C 80 33.299 32.241 1.058 1
1 969 . 4 1 1 X 87 87 LYS N N 80 119.805 120.513 -0.708 1
1 970 . 4 1 1 X 88 88 GLU H H 81 8.508 8.061 0.447 1
1 971 . 4 1 1 X 88 88 GLU HA H 81 4.099 4.114 -0.015 1
1 976 . 4 1 1 X 88 88 GLU C C 81 179.195 178.930 0.265 1
1 977 . 4 1 1 X 88 88 GLU CA C 81 59.632 59.162 0.470 1
1 978 . 4 1 1 X 88 88 GLU CB C 81 29.649 29.345 0.304 1
1 980 . 4 1 1 X 88 88 GLU N N 81 118.920 119.368 -0.448 1
1 981 . 4 1 1 X 89 89 TRP H H 82 8.682 8.406 0.276 1
1 982 . 4 1 1 X 89 89 TRP HA H 82 4.201 4.311 -0.110 1
1 991 . 4 1 1 X 89 89 TRP C C 82 179.807 177.994 1.813 1
1 992 . 4 1 1 X 89 89 TRP CA C 82 63.110 60.760 2.350 1
1 993 . 4 1 1 X 89 89 TRP CB C 82 29.285 29.767 -0.482 1
1 999 . 4 1 1 X 89 89 TRP N N 82 122.152 122.139 0.013 1
1 1001 . 4 1 1 X 90 90 ARG H H 83 9.025 8.808 0.217 1
1 1002 . 4 1 1 X 90 90 ARG HA H 83 3.295 3.987 -0.692 1
1 1009 . 4 1 1 X 90 90 ARG C C 83 178.120 177.926 0.194 1
1 1010 . 4 1 1 X 90 90 ARG CA C 83 60.895 59.773 1.122 1
1 1011 . 4 1 1 X 90 90 ARG CB C 83 28.668 29.648 -0.980 1
1 1014 . 4 1 1 X 90 90 ARG N N 83 118.380 119.337 -0.957 1
1 1015 . 4 1 1 X 91 91 ALA H H 84 7.759 8.009 -0.250 1
1 1016 . 4 1 1 X 91 91 ALA HA H 84 4.151 4.089 0.062 1
1 1020 . 4 1 1 X 91 91 ALA C C 84 181.466 180.099 1.367 1
1 1021 . 4 1 1 X 91 91 ALA CA C 84 55.217 54.930 0.287 1
1 1022 . 4 1 1 X 91 91 ALA CB C 84 18.175 18.062 0.113 1
1 1023 . 4 1 1 X 91 91 ALA N N 84 120.210 120.597 -0.387 1
1 1024 . 4 1 1 X 92 92 ALA H H 85 7.943 7.817 0.126 1
1 1025 . 4 1 1 X 92 92 ALA HA H 85 4.081 4.004 0.077 1
1 1029 . 4 1 1 X 92 92 ALA C C 85 178.324 179.158 -0.834 1
1 1030 . 4 1 1 X 92 92 ALA CA C 85 54.244 55.136 -0.892 1
1 1031 . 4 1 1 X 92 92 ALA CB C 85 18.306 17.946 0.360 1
1 1032 . 4 1 1 X 92 92 ALA N N 85 120.470 120.626 -0.156 1
1 1033 . 4 1 1 X 93 93 ASN H H 86 7.005 8.057 -1.052 1
1 1034 . 4 1 1 X 93 93 ASN HA H 86 4.475 4.382 0.093 1
1 1039 . 4 1 1 X 93 93 ASN C C 86 174.108 175.333 -1.225 1
1 1040 . 4 1 1 X 93 93 ASN CA C 86 53.347 53.363 -0.016 1
1 1041 . 4 1 1 X 93 93 ASN CB C 86 39.379 38.353 1.026 1
1 1043 . 4 1 1 X 93 93 ASN N N 86 113.372 113.639 -0.267 1
1 1045 . 4 1 1 X 94 94 GLY H H 87 7.535 7.806 -0.271 1
1 1046 . 4 1 1 X 94 94 GLY HA2 H 87 3.810 3.902 -0.092 1
1 1047 . 4 1 1 X 94 94 GLY HA3 H 87 3.810 3.910 -0.100 1
1 1048 . 4 1 1 X 94 94 GLY C C 87 174.481 174.161 0.320 1
1 1049 . 4 1 1 X 94 94 GLY CA C 87 47.230 45.950 1.280 1
1 1050 . 4 1 1 X 94 94 GLY N N 87 108.152 107.049 1.103 1
1 1051 . 4 1 1 X 95 95 LYS H H 88 8.037 8.314 -0.277 1
1 1052 . 4 1 1 X 95 95 LYS HA H 88 4.654 4.743 -0.089 1
1 1061 . 4 1 1 X 95 95 LYS CA C 88 53.357 52.971 0.386 1
1 1062 . 4 1 1 X 95 95 LYS CB C 88 32.741 33.604 -0.863 1
1 1066 . 4 1 1 X 95 95 LYS N N 88 119.147 119.776 -0.629 1
1 1067 . 4 1 1 X 96 96 PRO HA H 89 4.275 4.390 -0.115 1
1 1074 . 4 1 1 X 96 96 PRO C C 89 176.696 177.148 -0.452 1
1 1075 . 4 1 1 X 96 96 PRO CA C 89 63.482 63.271 0.211 1
1 1076 . 4 1 1 X 96 96 PRO CB C 89 32.981 31.833 1.148 1
1 1079 . 4 1 1 X 97 97 GLY H H 90 8.336 8.520 -0.184 1
1 1080 . 4 1 1 X 97 97 GLY HA2 H 90 4.074 3.744 0.330 1
1 1081 . 4 1 1 X 97 97 GLY HA3 H 90 3.615 3.889 -0.274 1
1 1082 . 4 1 1 X 97 97 GLY C C 90 173.388 173.458 -0.070 1
1 1083 . 4 1 1 X 97 97 GLY CA C 90 43.347 44.057 -0.710 1
1 1084 . 4 1 1 X 97 97 GLY N N 90 110.343 107.379 2.964 1
1 1085 . 4 1 1 X 98 98 PHE H H 91 7.749 8.299 -0.550 1
1 1086 . 4 1 1 X 98 98 PHE HA H 91 4.527 4.782 -0.255 1
1 1094 . 4 1 1 X 98 98 PHE C C 91 177.021 175.473 1.548 1
1 1095 . 4 1 1 X 98 98 PHE CA C 91 59.184 57.979 1.205 1
1 1096 . 4 1 1 X 98 98 PHE CB C 91 40.005 40.980 -0.975 1
1 1102 . 4 1 1 X 98 98 PHE N N 91 116.151 120.314 -4.163 1
1 1103 . 4 1 1 X 99 99 LYS H H 92 8.531 9.180 -0.649 1
1 1104 . 4 1 1 X 99 99 LYS HA H 92 4.178 4.896 -0.718 1
1 1113 . 4 1 1 X 99 99 LYS C C 92 176.542 176.331 0.211 1
1 1114 . 4 1 1 X 99 99 LYS CA C 92 57.292 55.477 1.815 1
1 1115 . 4 1 1 X 99 99 LYS CB C 92 32.875 34.368 -1.493 1
1 1119 . 4 1 1 X 99 99 LYS N N 92 123.602 119.412 4.190 1
1 1120 . 4 1 1 X 100 100 GLN H H 93 8.633 8.516 0.117 1
1 1121 . 4 1 1 X 100 100 GLN HA H 93 4.297 4.927 -0.630 1
1 1128 . 4 1 1 X 100 100 GLN C C 93 175.318 175.828 -0.510 1
1 1129 . 4 1 1 X 100 100 GLN CA C 93 56.479 54.930 1.549 1
1 1130 . 4 1 1 X 100 100 GLN CB C 93 29.751 30.539 -0.788 1
1 1133 . 4 1 1 X 100 100 GLN N N 93 125.089 120.425 4.664 1
1 12 . 5 1 1 X 10 10 LEU H H 3 8.121 8.565 -0.444 1
1 13 . 5 1 1 X 10 10 LEU HA H 3 4.240 5.390 -1.150 1
1 23 . 5 1 1 X 10 10 LEU C C 3 176.909 176.261 0.648 1
1 24 . 5 1 1 X 10 10 LEU CA C 3 54.748 53.704 1.044 1
1 25 . 5 1 1 X 10 10 LEU CB C 3 41.272 43.306 -2.034 1
1 29 . 5 1 1 X 10 10 LEU N N 3 123.688 122.943 0.745 1
1 30 . 5 1 1 X 11 11 LYS H H 4 7.677 8.955 -1.278 1
1 31 . 5 1 1 X 11 11 LYS HA H 4 4.404 4.616 -0.212 1
1 40 . 5 1 1 X 11 11 LYS C C 4 176.184 176.906 -0.722 1
1 41 . 5 1 1 X 11 11 LYS CA C 4 55.828 54.491 1.337 1
1 42 . 5 1 1 X 11 11 LYS CB C 4 33.482 33.986 -0.504 1
1 46 . 5 1 1 X 11 11 LYS N N 4 122.221 122.734 -0.513 1
1 47 . 5 1 1 X 12 12 ASN H H 5 8.538 8.756 -0.218 1
1 48 . 5 1 1 X 12 12 ASN HA H 5 4.685 5.123 -0.438 1
1 53 . 5 1 1 X 12 12 ASN C C 5 174.925 175.238 -0.313 1
1 54 . 5 1 1 X 12 12 ASN CA C 5 55.721 54.034 1.687 1
1 55 . 5 1 1 X 12 12 ASN CB C 5 40.409 41.119 -0.710 1
1 57 . 5 1 1 X 12 12 ASN N N 5 116.610 118.060 -1.450 1
1 59 . 5 1 1 X 13 13 SER H H 6 8.144 7.724 0.420 1
1 60 . 5 1 1 X 13 13 SER HA H 6 4.819 4.844 -0.025 1
1 63 . 5 1 1 X 13 13 SER C C 6 175.123 175.201 -0.078 1
1 64 . 5 1 1 X 13 13 SER CA C 6 56.778 55.486 1.292 1
1 65 . 5 1 1 X 13 13 SER CB C 6 65.949 67.116 -1.167 1
1 66 . 5 1 1 X 13 13 SER N N 6 112.138 110.713 1.425 1
1 67 . 5 1 1 X 14 14 ILE H H 7 9.318 8.763 0.555 1
1 68 . 5 1 1 X 14 14 ILE HA H 7 3.966 4.225 -0.259 1
1 78 . 5 1 1 X 14 14 ILE C C 7 175.537 177.184 -1.647 1
1 79 . 5 1 1 X 14 14 ILE CA C 7 64.956 63.867 1.089 1
1 80 . 5 1 1 X 14 14 ILE CB C 7 37.062 38.006 -0.944 1
1 84 . 5 1 1 X 14 14 ILE N N 7 126.034 125.021 1.013 1
1 85 . 5 1 1 X 15 15 SER H H 8 7.504 7.887 -0.383 1
1 86 . 5 1 1 X 15 15 SER HA H 8 4.694 4.433 0.261 1
1 89 . 5 1 1 X 15 15 SER C C 8 174.278 175.020 -0.742 1
1 90 . 5 1 1 X 15 15 SER CA C 8 59.481 59.727 -0.246 1
1 91 . 5 1 1 X 15 15 SER CB C 8 63.241 63.020 0.221 1
1 92 . 5 1 1 X 15 15 SER N N 8 112.517 116.523 -4.006 1
1 93 . 5 1 1 X 16 16 ASP H H 9 7.783 7.869 -0.086 1
1 94 . 5 1 1 X 16 16 ASP HA H 9 4.791 4.781 0.010 1
1 97 . 5 1 1 X 16 16 ASP C C 9 175.976 175.844 0.132 1
1 98 . 5 1 1 X 16 16 ASP CA C 9 55.243 53.441 1.802 1
1 99 . 5 1 1 X 16 16 ASP CB C 9 43.327 41.178 2.149 1
1 100 . 5 1 1 X 16 16 ASP N N 9 117.795 120.026 -2.231 1
1 101 . 5 1 1 X 17 17 TYR H H 10 8.279 7.824 0.455 1
1 102 . 5 1 1 X 17 17 TYR HA H 10 4.962 5.006 -0.044 1
1 109 . 5 1 1 X 17 17 TYR C C 10 177.535 176.058 1.477 1
1 110 . 5 1 1 X 17 17 TYR CA C 10 58.573 57.502 1.071 1
1 111 . 5 1 1 X 17 17 TYR CB C 10 41.015 40.082 0.933 1
1 116 . 5 1 1 X 17 17 TYR N N 10 120.484 118.815 1.669 1
1 117 . 5 1 1 X 18 18 THR H H 11 8.796 8.918 -0.122 1
1 118 . 5 1 1 X 18 18 THR HA H 11 5.040 5.173 -0.133 1
1 123 . 5 1 1 X 18 18 THR C C 11 176.099 176.076 0.023 1
1 124 . 5 1 1 X 18 18 THR CA C 11 60.775 60.637 0.138 1
1 125 . 5 1 1 X 18 18 THR CB C 11 71.041 71.579 -0.538 1
1 127 . 5 1 1 X 18 18 THR N N 11 112.143 116.654 -4.511 1
1 128 . 5 1 1 X 19 19 GLU H H 12 9.173 9.024 0.149 1
1 129 . 5 1 1 X 19 19 GLU HA H 12 2.757 3.714 -0.957 1
1 134 . 5 1 1 X 19 19 GLU C C 12 178.378 178.644 -0.266 1
1 135 . 5 1 1 X 19 19 GLU CA C 12 60.906 59.535 1.371 1
1 136 . 5 1 1 X 19 19 GLU CB C 12 29.442 29.365 0.077 1
1 138 . 5 1 1 X 19 19 GLU N N 12 122.386 121.459 0.927 1
1 139 . 5 1 1 X 20 20 ALA H H 13 8.356 8.068 0.288 1
1 140 . 5 1 1 X 20 20 ALA HA H 13 4.069 4.110 -0.041 1
1 144 . 5 1 1 X 20 20 ALA C C 13 181.816 179.636 2.180 1
1 145 . 5 1 1 X 20 20 ALA CA C 13 55.388 54.986 0.402 1
1 146 . 5 1 1 X 20 20 ALA CB C 13 18.308 18.429 -0.121 1
1 147 . 5 1 1 X 20 20 ALA N N 13 118.695 121.883 -3.188 1
1 148 . 5 1 1 X 21 21 GLU H H 14 8.013 8.018 -0.005 1
1 149 . 5 1 1 X 21 21 GLU HA H 14 4.131 4.117 0.014 1
1 154 . 5 1 1 X 21 21 GLU C C 14 179.649 179.206 0.443 1
1 155 . 5 1 1 X 21 21 GLU CA C 14 58.916 59.243 -0.327 1
1 156 . 5 1 1 X 21 21 GLU CB C 14 31.632 29.679 1.953 1
1 158 . 5 1 1 X 21 21 GLU N N 14 118.978 119.212 -0.234 1
1 159 . 5 1 1 X 22 22 PHE H H 15 8.635 8.179 0.456 1
1 160 . 5 1 1 X 22 22 PHE HA H 15 4.049 4.120 -0.071 1
1 167 . 5 1 1 X 22 22 PHE C C 15 177.402 177.418 -0.016 1
1 168 . 5 1 1 X 22 22 PHE CA C 15 62.183 61.196 0.987 1
1 169 . 5 1 1 X 22 22 PHE CB C 15 40.545 38.678 1.867 1
1 174 . 5 1 1 X 22 22 PHE N N 15 124.639 121.661 2.978 1
1 175 . 5 1 1 X 23 23 VAL H H 16 8.647 8.551 0.096 1
1 176 . 5 1 1 X 23 23 VAL HA H 16 3.416 3.660 -0.244 1
1 184 . 5 1 1 X 23 23 VAL C C 16 177.798 177.873 -0.075 1
1 185 . 5 1 1 X 23 23 VAL CA C 16 67.917 66.034 1.883 1
1 186 . 5 1 1 X 23 23 VAL CB C 16 31.579 31.364 0.215 1
1 189 . 5 1 1 X 23 23 VAL N N 16 119.817 118.548 1.269 1
1 190 . 5 1 1 X 24 24 GLN H H 17 7.569 8.281 -0.712 1
1 191 . 5 1 1 X 24 24 GLN HA H 17 3.943 3.948 -0.005 1
1 198 . 5 1 1 X 24 24 GLN C C 17 178.313 178.060 0.253 1
1 199 . 5 1 1 X 24 24 GLN CA C 17 59.289 58.977 0.312 1
1 200 . 5 1 1 X 24 24 GLN CB C 17 27.814 27.990 -0.176 1
1 203 . 5 1 1 X 24 24 GLN N N 17 117.658 121.241 -3.583 1
1 205 . 5 1 1 X 25 25 LEU H H 18 7.512 7.658 -0.146 1
1 206 . 5 1 1 X 25 25 LEU HA H 18 4.136 4.025 0.111 1
1 216 . 5 1 1 X 25 25 LEU C C 18 178.440 178.213 0.227 1
1 217 . 5 1 1 X 25 25 LEU CA C 18 58.651 58.035 0.616 1
1 218 . 5 1 1 X 25 25 LEU CB C 18 40.626 41.261 -0.635 1
1 222 . 5 1 1 X 25 25 LEU N N 18 122.037 121.086 0.951 1
1 223 . 5 1 1 X 26 26 LEU H H 19 7.761 8.122 -0.361 1
1 224 . 5 1 1 X 26 26 LEU HA H 19 3.748 3.550 0.198 1
1 234 . 5 1 1 X 26 26 LEU C C 19 180.080 179.071 1.009 1
1 235 . 5 1 1 X 26 26 LEU CA C 19 58.041 57.350 0.691 1
1 236 . 5 1 1 X 26 26 LEU CB C 19 41.009 41.062 -0.053 1
1 240 . 5 1 1 X 26 26 LEU N N 19 118.502 118.197 0.305 1
1 241 . 5 1 1 X 27 27 LYS H H 20 8.357 7.956 0.401 1
1 242 . 5 1 1 X 27 27 LYS HA H 20 4.019 4.112 -0.093 1
1 251 . 5 1 1 X 27 27 LYS C C 20 179.559 179.728 -0.169 1
1 252 . 5 1 1 X 27 27 LYS CA C 20 59.648 60.200 -0.552 1
1 253 . 5 1 1 X 27 27 LYS CB C 20 31.995 31.856 0.139 1
1 257 . 5 1 1 X 27 27 LYS N N 20 120.427 118.404 2.023 1
1 258 . 5 1 1 X 28 28 GLU H H 21 8.123 7.741 0.382 1
1 259 . 5 1 1 X 28 28 GLU HA H 21 4.082 3.980 0.102 1
1 264 . 5 1 1 X 28 28 GLU C C 21 179.063 179.575 -0.512 1
1 265 . 5 1 1 X 28 28 GLU CA C 21 59.406 59.401 0.005 1
1 266 . 5 1 1 X 28 28 GLU CB C 21 29.146 29.144 0.002 1
1 268 . 5 1 1 X 28 28 GLU N N 21 122.374 119.796 2.578 1
1 269 . 5 1 1 X 29 29 ILE H H 22 8.049 7.882 0.167 1
1 270 . 5 1 1 X 29 29 ILE HA H 22 3.343 3.590 -0.247 1
1 280 . 5 1 1 X 29 29 ILE C C 22 177.151 177.791 -0.640 1
1 281 . 5 1 1 X 29 29 ILE CA C 22 66.435 65.270 1.165 1
1 282 . 5 1 1 X 29 29 ILE CB C 22 37.954 37.078 0.876 1
1 286 . 5 1 1 X 29 29 ILE N N 22 120.195 121.457 -1.262 1
1 287 . 5 1 1 X 30 30 GLU H H 23 7.820 8.078 -0.258 1
1 288 . 5 1 1 X 30 30 GLU HA H 23 3.983 3.753 0.230 1
1 293 . 5 1 1 X 30 30 GLU C C 23 178.990 179.094 -0.104 1
1 294 . 5 1 1 X 30 30 GLU CA C 23 59.460 59.809 -0.349 1
1 295 . 5 1 1 X 30 30 GLU CB C 23 30.012 29.401 0.611 1
1 297 . 5 1 1 X 30 30 GLU N N 23 118.917 119.101 -0.184 1
1 298 . 5 1 1 X 31 31 LYS H H 24 7.678 7.460 0.218 1
1 299 . 5 1 1 X 31 31 LYS HA H 24 4.059 3.935 0.124 1
1 308 . 5 1 1 X 31 31 LYS C C 24 179.231 179.090 0.141 1
1 309 . 5 1 1 X 31 31 LYS CA C 24 59.152 59.770 -0.618 1
1 310 . 5 1 1 X 31 31 LYS CB C 24 32.712 32.393 0.319 1
1 314 . 5 1 1 X 31 31 LYS N N 24 118.807 120.147 -1.340 1
1 315 . 5 1 1 X 32 32 GLU H H 25 8.182 7.665 0.517 1
1 316 . 5 1 1 X 32 32 GLU HA H 25 4.309 4.031 0.278 1
1 321 . 5 1 1 X 32 32 GLU C C 25 177.897 179.402 -1.505 1
1 322 . 5 1 1 X 32 32 GLU CA C 25 57.449 59.473 -2.024 1
1 323 . 5 1 1 X 32 32 GLU CB C 25 29.522 29.162 0.360 1
1 325 . 5 1 1 X 32 32 GLU N N 25 118.578 119.702 -1.124 1
1 326 . 5 1 1 X 33 33 ASN H H 26 8.343 8.109 0.234 1
1 327 . 5 1 1 X 33 33 ASN HA H 26 4.608 4.428 0.180 1
1 330 . 5 1 1 X 33 33 ASN C C 26 176.524 177.321 -0.797 1
1 331 . 5 1 1 X 33 33 ASN CA C 26 55.463 56.127 -0.664 1
1 332 . 5 1 1 X 33 33 ASN CB C 26 39.074 38.631 0.443 1
1 333 . 5 1 1 X 33 33 ASN N N 26 118.483 118.212 0.271 1
1 334 . 5 1 1 X 34 34 VAL H H 27 7.434 8.364 -0.930 1
1 335 . 5 1 1 X 34 34 VAL HA H 27 4.182 3.951 0.231 1
1 343 . 5 1 1 X 34 34 VAL C C 27 176.315 176.759 -0.444 1
1 344 . 5 1 1 X 34 34 VAL CA C 27 62.829 63.743 -0.914 1
1 345 . 5 1 1 X 34 34 VAL CB C 27 32.178 31.449 0.729 1
1 348 . 5 1 1 X 34 34 VAL N N 27 114.036 116.403 -2.367 1
1 349 . 5 1 1 X 35 35 ALA H H 28 7.648 7.313 0.335 1
1 350 . 5 1 1 X 35 35 ALA HA H 28 4.346 4.345 0.001 1
1 354 . 5 1 1 X 35 35 ALA C C 28 177.126 176.739 0.387 1
1 355 . 5 1 1 X 35 35 ALA CA C 28 52.712 51.830 0.882 1
1 356 . 5 1 1 X 35 35 ALA CB C 28 19.915 18.932 0.983 1
1 357 . 5 1 1 X 35 35 ALA N N 28 124.066 123.928 0.138 1
1 358 . 5 1 1 X 36 36 ALA H H 29 8.337 7.911 0.426 1
1 359 . 5 1 1 X 36 36 ALA HA H 29 4.260 3.974 0.286 1
1 363 . 5 1 1 X 36 36 ALA C C 29 177.999 176.351 1.648 1
1 364 . 5 1 1 X 36 36 ALA CA C 29 53.660 52.801 0.859 1
1 365 . 5 1 1 X 36 36 ALA CB C 29 19.175 17.290 1.885 1
1 366 . 5 1 1 X 36 36 ALA N N 29 121.695 120.253 1.442 1
1 367 . 5 1 1 X 37 37 THR H H 30 8.093 7.786 0.307 1
1 368 . 5 1 1 X 37 37 THR HA H 30 4.533 4.621 -0.088 1
1 373 . 5 1 1 X 37 37 THR C C 30 174.715 173.894 0.821 1
1 374 . 5 1 1 X 37 37 THR CA C 30 60.860 60.787 0.073 1
1 375 . 5 1 1 X 37 37 THR CB C 30 70.424 69.581 0.843 1
1 377 . 5 1 1 X 37 37 THR N N 30 110.112 106.853 3.259 1
1 378 . 5 1 1 X 38 38 ASP H H 31 8.488 8.824 -0.336 1
1 379 . 5 1 1 X 38 38 ASP HA H 31 4.685 4.754 -0.069 1
1 382 . 5 1 1 X 38 38 ASP C C 31 175.896 177.031 -1.135 1
1 383 . 5 1 1 X 38 38 ASP CA C 31 54.704 55.631 -0.927 1
1 384 . 5 1 1 X 38 38 ASP CB C 31 41.389 42.281 -0.892 1
1 385 . 5 1 1 X 38 38 ASP N N 31 121.899 121.593 0.306 1
1 386 . 5 1 1 X 39 39 ASP H H 32 8.368 8.311 0.057 1
1 387 . 5 1 1 X 39 39 ASP HA H 32 4.459 4.303 0.156 1
1 390 . 5 1 1 X 39 39 ASP C C 32 177.499 178.470 -0.971 1
1 391 . 5 1 1 X 39 39 ASP CA C 32 56.443 57.602 -1.159 1
1 392 . 5 1 1 X 39 39 ASP CB C 32 40.737 41.734 -0.997 1
1 393 . 5 1 1 X 39 39 ASP N N 32 118.770 119.724 -0.954 1
1 394 . 5 1 1 X 40 40 VAL H H 33 7.963 7.812 0.151 1
1 395 . 5 1 1 X 40 40 VAL HA H 33 3.800 3.770 0.030 1
1 403 . 5 1 1 X 40 40 VAL C C 33 177.362 177.723 -0.361 1
1 404 . 5 1 1 X 40 40 VAL CA C 33 64.970 66.100 -1.130 1
1 405 . 5 1 1 X 40 40 VAL CB C 33 32.256 30.855 1.401 1
1 408 . 5 1 1 X 40 40 VAL N N 33 119.409 118.973 0.436 1
1 409 . 5 1 1 X 41 41 LEU H H 34 8.508 7.995 0.513 1
1 410 . 5 1 1 X 41 41 LEU HA H 34 3.857 3.885 -0.028 1
1 420 . 5 1 1 X 41 41 LEU C C 34 177.633 178.160 -0.527 1
1 421 . 5 1 1 X 41 41 LEU CA C 34 58.428 58.435 -0.007 1
1 422 . 5 1 1 X 41 41 LEU CB C 34 41.755 41.428 0.327 1
1 426 . 5 1 1 X 41 41 LEU N N 34 122.150 121.338 0.812 1
1 427 . 5 1 1 X 42 42 ASP H H 35 8.236 8.430 -0.194 1
1 428 . 5 1 1 X 42 42 ASP HA H 35 4.370 4.526 -0.156 1
1 431 . 5 1 1 X 42 42 ASP C C 35 179.155 178.630 0.525 1
1 432 . 5 1 1 X 42 42 ASP CA C 35 57.925 56.647 1.278 1
1 433 . 5 1 1 X 42 42 ASP CB C 35 40.417 40.839 -0.422 1
1 434 . 5 1 1 X 42 42 ASP N N 35 116.374 118.362 -1.988 1
1 435 . 5 1 1 X 43 43 VAL H H 36 7.320 7.598 -0.278 1
1 436 . 5 1 1 X 43 43 VAL HA H 36 3.782 3.649 0.133 1
1 444 . 5 1 1 X 43 43 VAL C C 36 179.309 178.289 1.020 1
1 445 . 5 1 1 X 43 43 VAL CA C 36 66.080 66.511 -0.431 1
1 446 . 5 1 1 X 43 43 VAL CB C 36 32.245 31.585 0.660 1
1 449 . 5 1 1 X 43 43 VAL N N 36 119.754 121.355 -1.601 1
1 450 . 5 1 1 X 44 44 LEU H H 37 8.122 8.578 -0.456 1
1 451 . 5 1 1 X 44 44 LEU HA H 37 4.008 4.074 -0.066 1
1 461 . 5 1 1 X 44 44 LEU C C 37 179.518 179.343 0.175 1
1 462 . 5 1 1 X 44 44 LEU CA C 37 58.048 57.847 0.201 1
1 463 . 5 1 1 X 44 44 LEU CB C 37 42.374 41.753 0.621 1
1 467 . 5 1 1 X 44 44 LEU N N 37 120.608 118.806 1.802 1
1 468 . 5 1 1 X 45 45 LEU H H 38 8.898 8.421 0.477 1
1 469 . 5 1 1 X 45 45 LEU HA H 38 4.030 3.938 0.092 1
1 479 . 5 1 1 X 45 45 LEU C C 38 179.166 179.439 -0.273 1
1 480 . 5 1 1 X 45 45 LEU CA C 38 58.184 58.239 -0.055 1
1 481 . 5 1 1 X 45 45 LEU CB C 38 41.506 41.531 -0.025 1
1 485 . 5 1 1 X 45 45 LEU N N 38 119.199 118.673 0.526 1
1 486 . 5 1 1 X 46 46 GLU H H 39 7.964 7.935 0.029 1
1 487 . 5 1 1 X 46 46 GLU HA H 39 4.066 4.040 0.026 1
1 492 . 5 1 1 X 46 46 GLU C C 39 178.995 178.958 0.037 1
1 493 . 5 1 1 X 46 46 GLU CA C 39 59.769 59.683 0.086 1
1 494 . 5 1 1 X 46 46 GLU CB C 39 29.577 29.420 0.157 1
1 496 . 5 1 1 X 46 46 GLU N N 39 119.334 118.168 1.166 1
1 497 . 5 1 1 X 47 47 HIS H H 40 8.009 8.662 -0.653 1
1 498 . 5 1 1 X 47 47 HIS HA H 40 4.416 4.386 0.030 1
1 503 . 5 1 1 X 47 47 HIS C C 40 176.115 176.938 -0.823 1
1 504 . 5 1 1 X 47 47 HIS CA C 40 60.151 58.831 1.320 1
1 505 . 5 1 1 X 47 47 HIS CB C 40 30.389 30.547 -0.158 1
1 508 . 5 1 1 X 47 47 HIS N N 40 119.610 120.131 -0.521 1
1 509 . 5 1 1 X 48 48 PHE H H 41 8.711 8.462 0.249 1
1 510 . 5 1 1 X 48 48 PHE HA H 41 3.808 4.150 -0.342 1
1 518 . 5 1 1 X 48 48 PHE C C 41 178.023 177.303 0.720 1
1 519 . 5 1 1 X 48 48 PHE CA C 41 62.654 61.352 1.302 1
1 520 . 5 1 1 X 48 48 PHE CB C 41 39.408 39.180 0.228 1
1 526 . 5 1 1 X 48 48 PHE N N 41 118.110 120.206 -2.096 1
1 527 . 5 1 1 X 49 49 VAL H H 42 8.439 8.092 0.347 1
1 528 . 5 1 1 X 49 49 VAL HA H 42 3.359 3.663 -0.304 1
1 536 . 5 1 1 X 49 49 VAL C C 42 178.340 177.427 0.913 1
1 537 . 5 1 1 X 49 49 VAL CA C 42 67.276 64.370 2.906 1
1 538 . 5 1 1 X 49 49 VAL CB C 42 32.235 31.301 0.934 1
1 541 . 5 1 1 X 49 49 VAL N N 42 121.301 118.615 2.686 1
1 542 . 5 1 1 X 50 50 LYS H H 43 8.091 8.554 -0.463 1
1 543 . 5 1 1 X 50 50 LYS HA H 43 3.973 4.015 -0.042 1
1 552 . 5 1 1 X 50 50 LYS C C 43 178.985 178.355 0.630 1
1 553 . 5 1 1 X 50 50 LYS CA C 43 59.580 58.826 0.754 1
1 554 . 5 1 1 X 50 50 LYS CB C 43 32.784 31.814 0.970 1
1 558 . 5 1 1 X 50 50 LYS N N 43 120.887 119.748 1.139 1
1 559 . 5 1 1 X 51 51 ILE H H 44 8.347 7.391 0.956 1
1 560 . 5 1 1 X 51 51 ILE HA H 44 4.159 3.827 0.332 1
1 570 . 5 1 1 X 51 51 ILE C C 44 178.121 177.921 0.200 1
1 571 . 5 1 1 X 51 51 ILE CA C 44 62.328 64.334 -2.006 1
1 572 . 5 1 1 X 51 51 ILE CB C 44 37.576 37.355 0.221 1
1 576 . 5 1 1 X 51 51 ILE N N 44 111.354 116.733 -5.379 1
1 577 . 5 1 1 X 52 52 THR H H 45 7.588 7.516 0.072 1
1 578 . 5 1 1 X 52 52 THR HA H 45 3.683 4.079 -0.396 1
1 583 . 5 1 1 X 52 52 THR C C 45 176.285 174.778 1.507 1
1 584 . 5 1 1 X 52 52 THR CA C 45 65.803 63.836 1.967 1
1 585 . 5 1 1 X 52 52 THR CB C 45 69.689 69.960 -0.271 1
1 587 . 5 1 1 X 52 52 THR N N 45 109.646 112.282 -2.636 1
1 588 . 5 1 1 X 53 53 GLU H H 46 7.366 8.314 -0.948 1
1 589 . 5 1 1 X 53 53 GLU HA H 46 3.836 4.028 -0.192 1
1 594 . 5 1 1 X 53 53 GLU C C 46 173.418 174.652 -1.234 1
1 595 . 5 1 1 X 53 53 GLU CA C 46 57.709 57.064 0.645 1
1 596 . 5 1 1 X 53 53 GLU CB C 46 29.067 27.577 1.490 1
1 598 . 5 1 1 X 53 53 GLU N N 46 112.606 117.201 -4.595 1
1 599 . 5 1 1 X 54 54 HIS H H 47 7.127 7.766 -0.639 1
1 600 . 5 1 1 X 54 54 HIS HA H 47 3.070 4.216 -1.146 1
1 605 . 5 1 1 X 54 54 HIS CA C 47 55.826 53.127 2.699 1
1 606 . 5 1 1 X 54 54 HIS CB C 47 32.124 33.668 -1.544 1
1 609 . 5 1 1 X 54 54 HIS N N 47 119.651 118.417 1.234 1
1 610 . 5 1 1 X 55 55 PRO HA H 48 4.143 4.398 -0.255 1
1 617 . 5 1 1 X 55 55 PRO CA C 48 64.843 64.079 0.764 1
1 618 . 5 1 1 X 55 55 PRO CB C 48 32.350 31.506 0.844 1
1 621 . 5 1 1 X 56 56 ASP H H 49 10.605 7.623 2.982 1
1 622 . 5 1 1 X 56 56 ASP HA H 49 4.712 5.074 -0.362 1
1 625 . 5 1 1 X 56 56 ASP C C 49 178.187 177.452 0.735 1
1 626 . 5 1 1 X 56 56 ASP CA C 49 54.989 53.741 1.248 1
1 627 . 5 1 1 X 56 56 ASP CB C 49 40.657 41.935 -1.278 1
1 628 . 5 1 1 X 56 56 ASP N N 49 121.022 118.122 2.900 1
1 629 . 5 1 1 X 57 57 GLY H H 50 8.011 8.133 -0.122 1
1 630 . 5 1 1 X 57 57 GLY HA2 H 50 4.122 3.867 0.255 1
1 631 . 5 1 1 X 57 57 GLY HA3 H 50 3.701 3.889 -0.188 1
1 632 . 5 1 1 X 57 57 GLY C C 50 175.337 175.879 -0.542 1
1 633 . 5 1 1 X 57 57 GLY CA C 50 47.435 47.509 -0.074 1
1 634 . 5 1 1 X 57 57 GLY N N 50 108.190 109.337 -1.147 1
1 635 . 5 1 1 X 58 58 THR H H 51 9.047 8.231 0.816 1
1 636 . 5 1 1 X 58 58 THR HA H 51 3.730 4.204 -0.474 1
1 641 . 5 1 1 X 58 58 THR C C 51 176.082 176.268 -0.186 1
1 642 . 5 1 1 X 58 58 THR CA C 51 64.795 65.294 -0.499 1
1 643 . 5 1 1 X 58 58 THR CB C 51 68.398 68.869 -0.471 1
1 645 . 5 1 1 X 58 58 THR N N 51 114.996 117.119 -2.123 1
1 646 . 5 1 1 X 59 59 ALA H H 52 8.142 8.151 -0.009 1
1 647 . 5 1 1 X 59 59 ALA HA H 52 4.205 4.314 -0.109 1
1 651 . 5 1 1 X 59 59 ALA C C 52 179.373 180.001 -0.628 1
1 652 . 5 1 1 X 59 59 ALA CA C 52 55.625 55.214 0.411 1
1 653 . 5 1 1 X 59 59 ALA CB C 52 18.416 18.094 0.322 1
1 654 . 5 1 1 X 59 59 ALA N N 52 125.565 123.757 1.808 1
1 655 . 5 1 1 X 60 60 LEU H H 53 7.399 8.418 -1.019 1
1 656 . 5 1 1 X 60 60 LEU HA H 53 3.835 3.990 -0.155 1
1 666 . 5 1 1 X 60 60 LEU C C 53 178.601 179.255 -0.654 1
1 667 . 5 1 1 X 60 60 LEU CA C 53 58.031 58.044 -0.013 1
1 668 . 5 1 1 X 60 60 LEU CB C 53 43.487 42.191 1.296 1
1 672 . 5 1 1 X 60 60 LEU N N 53 114.763 118.415 -3.652 1
1 673 . 5 1 1 X 61 61 ILE H H 54 6.855 7.583 -0.728 1
1 674 . 5 1 1 X 61 61 ILE HA H 54 3.518 3.432 0.086 1
1 684 . 5 1 1 X 61 61 ILE C C 54 178.595 177.709 0.886 1
1 685 . 5 1 1 X 61 61 ILE CA C 54 62.989 65.011 -2.022 1
1 686 . 5 1 1 X 61 61 ILE CB C 54 38.424 37.414 1.010 1
1 690 . 5 1 1 X 61 61 ILE N N 54 114.394 119.301 -4.907 1
1 691 . 5 1 1 X 62 62 TYR H H 55 7.489 7.968 -0.479 1
1 692 . 5 1 1 X 62 62 TYR HA H 55 4.243 4.324 -0.081 1
1 699 . 5 1 1 X 62 62 TYR C C 55 178.634 178.866 -0.232 1
1 700 . 5 1 1 X 62 62 TYR CA C 55 61.518 60.620 0.898 1
1 701 . 5 1 1 X 62 62 TYR CB C 55 37.566 37.928 -0.362 1
1 706 . 5 1 1 X 62 62 TYR N N 55 117.898 119.643 -1.745 1
1 707 . 5 1 1 X 63 63 GLU H H 56 8.659 9.057 -0.398 1
1 708 . 5 1 1 X 63 63 GLU HA H 56 4.441 4.124 0.317 1
1 713 . 5 1 1 X 63 63 GLU C C 56 177.785 178.907 -1.122 1
1 714 . 5 1 1 X 63 63 GLU CA C 56 57.658 59.382 -1.724 1
1 715 . 5 1 1 X 63 63 GLU CB C 56 29.034 29.040 -0.006 1
1 717 . 5 1 1 X 63 63 GLU N N 56 119.392 117.678 1.714 1
1 718 . 5 1 1 X 64 64 ALA H H 57 7.164 8.194 -1.030 1
1 719 . 5 1 1 X 64 64 ALA HA H 57 4.021 4.116 -0.095 1
1 723 . 5 1 1 X 64 64 ALA C C 57 180.327 179.944 0.383 1
1 724 . 5 1 1 X 64 64 ALA CA C 57 55.759 54.930 0.829 1
1 725 . 5 1 1 X 64 64 ALA CB C 57 18.615 18.182 0.433 1
1 726 . 5 1 1 X 64 64 ALA N N 57 121.778 122.320 -0.542 1
1 727 . 5 1 1 X 65 65 ALA H H 58 8.076 7.848 0.228 1
1 728 . 5 1 1 X 65 65 ALA HA H 58 4.137 4.001 0.136 1
1 732 . 5 1 1 X 65 65 ALA C C 58 180.248 179.487 0.761 1
1 733 . 5 1 1 X 65 65 ALA CA C 58 55.104 55.016 0.088 1
1 734 . 5 1 1 X 65 65 ALA CB C 58 18.071 18.456 -0.385 1
1 735 . 5 1 1 X 65 65 ALA N N 58 120.307 119.863 0.444 1
1 736 . 5 1 1 X 66 66 ALA H H 59 7.893 7.635 0.258 1
1 737 . 5 1 1 X 66 66 ALA HA H 59 4.170 4.064 0.106 1
1 741 . 5 1 1 X 66 66 ALA C C 59 180.838 179.478 1.360 1
1 742 . 5 1 1 X 66 66 ALA CA C 59 54.800 55.099 -0.299 1
1 743 . 5 1 1 X 66 66 ALA CB C 59 18.184 18.045 0.139 1
1 744 . 5 1 1 X 66 66 ALA N N 59 122.126 120.162 1.964 1
1 745 . 5 1 1 X 67 67 ARG H H 60 8.139 8.962 -0.823 1
1 746 . 5 1 1 X 67 67 ARG HA H 60 4.065 3.964 0.101 1
1 753 . 5 1 1 X 67 67 ARG C C 60 178.779 178.650 0.129 1
1 754 . 5 1 1 X 67 67 ARG CA C 60 59.282 59.572 -0.290 1
1 755 . 5 1 1 X 67 67 ARG CB C 60 30.863 30.108 0.755 1
1 758 . 5 1 1 X 67 67 ARG N N 60 118.948 117.843 1.105 1
1 759 . 5 1 1 X 68 68 ALA H H 61 7.891 8.144 -0.253 1
1 760 . 5 1 1 X 68 68 ALA HA H 61 4.141 4.136 0.005 1
1 764 . 5 1 1 X 68 68 ALA C C 61 179.329 179.902 -0.573 1
1 765 . 5 1 1 X 68 68 ALA CA C 61 54.340 54.964 -0.624 1
1 766 . 5 1 1 X 68 68 ALA CB C 61 18.528 18.298 0.230 1
1 767 . 5 1 1 X 68 68 ALA N N 61 121.473 122.016 -0.543 1
1 768 . 5 1 1 X 69 69 ALA H H 62 7.663 7.837 -0.174 1
1 769 . 5 1 1 X 69 69 ALA HA H 62 4.133 4.099 0.034 1
1 773 . 5 1 1 X 69 69 ALA C C 62 178.591 179.470 -0.879 1
1 774 . 5 1 1 X 69 69 ALA CA C 62 53.863 54.949 -1.086 1
1 775 . 5 1 1 X 69 69 ALA CB C 62 18.438 18.675 -0.237 1
1 776 . 5 1 1 X 69 69 ALA N N 62 118.937 120.058 -1.121 1
1 777 . 5 1 1 X 70 70 ALA H H 63 7.488 8.055 -0.567 1
1 778 . 5 1 1 X 70 70 ALA HA H 63 4.280 4.189 0.091 1
1 782 . 5 1 1 X 70 70 ALA C C 63 177.318 177.528 -0.210 1
1 783 . 5 1 1 X 70 70 ALA CA C 63 52.981 54.331 -1.350 1
1 784 . 5 1 1 X 70 70 ALA CB C 63 19.324 19.491 -0.167 1
1 785 . 5 1 1 X 70 70 ALA N N 63 118.642 117.929 0.713 1
1 786 . 5 1 1 X 71 71 ASN H H 64 7.631 8.095 -0.464 1
1 787 . 5 1 1 X 71 71 ASN HA H 64 5.077 4.738 0.339 1
1 792 . 5 1 1 X 71 71 ASN CA C 64 50.877 53.957 -3.080 1
1 793 . 5 1 1 X 71 71 ASN CB C 64 39.243 36.781 2.462 1
1 795 . 5 1 1 X 71 71 ASN N N 64 116.008 115.677 0.331 1
1 797 . 5 1 1 X 72 72 PRO HA H 65 4.468 4.495 -0.027 1
1 804 . 5 1 1 X 72 72 PRO CA C 65 64.454 64.239 0.215 1
1 805 . 5 1 1 X 72 72 PRO CB C 65 32.007 32.112 -0.105 1
1 808 . 5 1 1 X 73 73 GLY H H 66 8.608 7.516 1.092 1
1 809 . 5 1 1 X 73 73 GLY HA2 H 66 3.978 4.057 -0.079 1
1 810 . 5 1 1 X 73 73 GLY HA3 H 66 3.978 4.058 -0.080 1
1 811 . 5 1 1 X 73 73 GLY C C 66 175.054 172.354 2.700 1
1 812 . 5 1 1 X 73 73 GLY CA C 66 45.521 44.943 0.578 1
1 813 . 5 1 1 X 73 73 GLY N N 66 109.435 106.083 3.352 1
1 814 . 5 1 1 X 74 74 GLY H H 67 8.085 8.350 -0.265 1
1 815 . 5 1 1 X 74 74 GLY HA2 H 67 4.132 4.264 -0.132 1
1 816 . 5 1 1 X 74 74 GLY HA3 H 67 3.896 4.267 -0.371 1
1 817 . 5 1 1 X 74 74 GLY C C 67 174.008 173.370 0.638 1
1 818 . 5 1 1 X 74 74 GLY CA C 67 45.450 45.386 0.064 1
1 819 . 5 1 1 X 74 74 GLY N N 67 108.472 109.600 -1.128 1
1 820 . 5 1 1 X 75 75 ASP H H 68 8.307 8.578 -0.271 1
1 821 . 5 1 1 X 75 75 ASP HA H 68 4.646 4.821 -0.175 1
1 824 . 5 1 1 X 75 75 ASP C C 68 176.933 176.050 0.883 1
1 825 . 5 1 1 X 75 75 ASP CA C 68 54.226 54.124 0.102 1
1 826 . 5 1 1 X 75 75 ASP CB C 68 41.486 41.434 0.052 1
1 827 . 5 1 1 X 75 75 ASP N N 68 119.941 123.762 -3.821 1
1 828 . 5 1 1 X 76 76 GLY H H 69 8.502 7.984 0.518 1
1 829 . 5 1 1 X 76 76 GLY HA2 H 69 3.966 4.012 -0.046 1
1 830 . 5 1 1 X 76 76 GLY HA3 H 69 3.951 4.014 -0.063 1
1 831 . 5 1 1 X 76 76 GLY C C 69 174.771 174.491 0.280 1
1 832 . 5 1 1 X 76 76 GLY CA C 69 45.744 46.681 -0.937 1
1 833 . 5 1 1 X 76 76 GLY N N 69 109.061 107.827 1.234 1
1 834 . 5 1 1 X 77 77 GLY H H 70 8.367 8.487 -0.120 1
1 835 . 5 1 1 X 77 77 GLY HA2 H 70 4.092 3.904 0.188 1
1 836 . 5 1 1 X 77 77 GLY HA3 H 70 3.920 3.908 0.012 1
1 837 . 5 1 1 X 77 77 GLY C C 70 174.782 174.240 0.542 1
1 838 . 5 1 1 X 77 77 GLY CA C 70 45.327 46.351 -1.024 1
1 839 . 5 1 1 X 77 77 GLY N N 70 108.393 112.195 -3.802 1
1 840 . 5 1 1 X 78 78 GLY H H 71 8.263 8.311 -0.048 1
1 841 . 5 1 1 X 78 78 GLY HA2 H 71 4.205 4.111 0.094 1
1 842 . 5 1 1 X 78 78 GLY HA3 H 71 4.092 4.115 -0.023 1
1 843 . 5 1 1 X 78 78 GLY CA C 71 45.581 44.083 1.498 1
1 844 . 5 1 1 X 78 78 GLY N N 71 108.388 110.274 -1.886 1
1 845 . 5 1 1 X 79 79 PRO HA H 72 4.199 4.249 -0.050 1
1 852 . 5 1 1 X 79 79 PRO C C 72 178.000 177.737 0.263 1
1 853 . 5 1 1 X 79 79 PRO CA C 72 65.568 65.117 0.451 1
1 854 . 5 1 1 X 79 79 PRO CB C 72 32.864 31.310 1.554 1
1 857 . 5 1 1 X 80 80 GLU H H 73 9.283 8.422 0.861 1
1 858 . 5 1 1 X 80 80 GLU HA H 73 3.833 4.240 -0.407 1
1 863 . 5 1 1 X 80 80 GLU C C 73 179.587 177.704 1.883 1
1 864 . 5 1 1 X 80 80 GLU CA C 73 61.125 57.093 4.032 1
1 865 . 5 1 1 X 80 80 GLU CB C 73 28.576 29.408 -0.832 1
1 867 . 5 1 1 X 80 80 GLU N N 73 117.078 116.044 1.034 1
1 868 . 5 1 1 X 81 81 GLY H H 74 7.926 7.968 -0.042 1
1 869 . 5 1 1 X 81 81 GLY HA2 H 74 3.964 3.879 0.085 1
1 870 . 5 1 1 X 81 81 GLY HA3 H 74 3.914 3.893 0.021 1
1 871 . 5 1 1 X 81 81 GLY C C 74 176.538 176.214 0.324 1
1 872 . 5 1 1 X 81 81 GLY CA C 74 47.084 46.448 0.636 1
1 873 . 5 1 1 X 81 81 GLY N N 74 108.577 108.331 0.246 1
1 874 . 5 1 1 X 82 82 ILE H H 75 7.593 8.420 -0.827 1
1 875 . 5 1 1 X 82 82 ILE HA H 75 3.873 3.887 -0.014 1
1 885 . 5 1 1 X 82 82 ILE C C 75 178.147 178.176 -0.029 1
1 886 . 5 1 1 X 82 82 ILE CA C 75 65.342 64.780 0.562 1
1 887 . 5 1 1 X 82 82 ILE CB C 75 38.163 37.433 0.730 1
1 891 . 5 1 1 X 82 82 ILE N N 75 123.572 119.957 3.615 1
1 892 . 5 1 1 X 83 83 VAL H H 76 8.135 7.655 0.480 1
1 893 . 5 1 1 X 83 83 VAL HA H 76 3.575 4.121 -0.546 1
1 901 . 5 1 1 X 83 83 VAL C C 76 177.094 178.065 -0.971 1
1 902 . 5 1 1 X 83 83 VAL CA C 76 68.153 65.904 2.249 1
1 903 . 5 1 1 X 83 83 VAL CB C 76 31.653 31.465 0.188 1
1 906 . 5 1 1 X 83 83 VAL N N 76 118.553 118.581 -0.028 1
1 907 . 5 1 1 X 84 84 LYS H H 77 7.803 8.069 -0.266 1
1 908 . 5 1 1 X 84 84 LYS HA H 77 4.006 4.066 -0.060 1
1 917 . 5 1 1 X 84 84 LYS C C 77 178.064 177.737 0.327 1
1 918 . 5 1 1 X 84 84 LYS CA C 77 60.516 59.294 1.222 1
1 919 . 5 1 1 X 84 84 LYS CB C 77 32.849 32.203 0.646 1
1 923 . 5 1 1 X 84 84 LYS N N 77 119.572 122.180 -2.608 1
1 924 . 5 1 1 X 85 85 GLU H H 78 7.629 7.605 0.024 1
1 925 . 5 1 1 X 85 85 GLU HA H 78 4.246 4.243 0.003 1
1 930 . 5 1 1 X 85 85 GLU C C 78 179.834 179.431 0.403 1
1 931 . 5 1 1 X 85 85 GLU CA C 78 59.752 58.981 0.771 1
1 932 . 5 1 1 X 85 85 GLU CB C 78 29.189 29.461 -0.272 1
1 934 . 5 1 1 X 85 85 GLU N N 78 118.366 118.713 -0.347 1
1 935 . 5 1 1 X 86 86 ILE H H 79 8.432 8.420 0.012 1
1 936 . 5 1 1 X 86 86 ILE HA H 79 3.781 3.672 0.109 1
1 946 . 5 1 1 X 86 86 ILE C C 79 177.578 178.379 -0.801 1
1 947 . 5 1 1 X 86 86 ILE CA C 79 65.454 64.899 0.555 1
1 948 . 5 1 1 X 86 86 ILE CB C 79 37.940 38.059 -0.119 1
1 952 . 5 1 1 X 86 86 ILE N N 79 118.975 120.944 -1.969 1
1 953 . 5 1 1 X 87 87 LYS H H 80 9.096 8.504 0.592 1
1 954 . 5 1 1 X 87 87 LYS HA H 80 3.958 3.747 0.211 1
1 963 . 5 1 1 X 87 87 LYS C C 80 180.285 178.431 1.854 1
1 964 . 5 1 1 X 87 87 LYS CA C 80 60.290 58.982 1.308 1
1 965 . 5 1 1 X 87 87 LYS CB C 80 33.299 31.913 1.386 1
1 969 . 5 1 1 X 87 87 LYS N N 80 119.805 120.570 -0.765 1
1 970 . 5 1 1 X 88 88 GLU H H 81 8.508 7.873 0.635 1
1 971 . 5 1 1 X 88 88 GLU HA H 81 4.099 4.068 0.031 1
1 976 . 5 1 1 X 88 88 GLU C C 81 179.195 179.040 0.155 1
1 977 . 5 1 1 X 88 88 GLU CA C 81 59.632 59.095 0.537 1
1 978 . 5 1 1 X 88 88 GLU CB C 81 29.649 29.461 0.188 1
1 980 . 5 1 1 X 88 88 GLU N N 81 118.920 119.423 -0.503 1
1 981 . 5 1 1 X 89 89 TRP H H 82 8.682 8.143 0.539 1
1 982 . 5 1 1 X 89 89 TRP HA H 82 4.201 4.284 -0.083 1
1 991 . 5 1 1 X 89 89 TRP C C 82 179.807 178.514 1.293 1
1 992 . 5 1 1 X 89 89 TRP CA C 82 63.110 60.478 2.632 1
1 993 . 5 1 1 X 89 89 TRP CB C 82 29.285 30.480 -1.195 1
1 999 . 5 1 1 X 89 89 TRP N N 82 122.152 121.928 0.224 1
1 1001 . 5 1 1 X 90 90 ARG H H 83 9.025 8.467 0.558 1
1 1002 . 5 1 1 X 90 90 ARG HA H 83 3.295 4.046 -0.751 1
1 1009 . 5 1 1 X 90 90 ARG C C 83 178.120 178.391 -0.271 1
1 1010 . 5 1 1 X 90 90 ARG CA C 83 60.895 59.868 1.027 1
1 1011 . 5 1 1 X 90 90 ARG CB C 83 28.668 29.665 -0.997 1
1 1014 . 5 1 1 X 90 90 ARG N N 83 118.380 119.578 -1.198 1
1 1015 . 5 1 1 X 91 91 ALA H H 84 7.759 8.104 -0.345 1
1 1016 . 5 1 1 X 91 91 ALA HA H 84 4.151 4.074 0.077 1
1 1020 . 5 1 1 X 91 91 ALA C C 84 181.466 180.202 1.264 1
1 1021 . 5 1 1 X 91 91 ALA CA C 84 55.217 54.990 0.227 1
1 1022 . 5 1 1 X 91 91 ALA CB C 84 18.175 17.997 0.178 1
1 1023 . 5 1 1 X 91 91 ALA N N 84 120.210 121.446 -1.236 1
1 1024 . 5 1 1 X 92 92 ALA H H 85 7.943 7.676 0.267 1
1 1025 . 5 1 1 X 92 92 ALA HA H 85 4.081 4.021 0.060 1
1 1029 . 5 1 1 X 92 92 ALA C C 85 178.324 179.225 -0.901 1
1 1030 . 5 1 1 X 92 92 ALA CA C 85 54.244 55.033 -0.789 1
1 1031 . 5 1 1 X 92 92 ALA CB C 85 18.306 18.018 0.288 1
1 1032 . 5 1 1 X 92 92 ALA N N 85 120.470 120.824 -0.354 1
1 1033 . 5 1 1 X 93 93 ASN H H 86 7.005 7.918 -0.913 1
1 1034 . 5 1 1 X 93 93 ASN HA H 86 4.475 4.391 0.084 1
1 1039 . 5 1 1 X 93 93 ASN C C 86 174.108 175.256 -1.148 1
1 1040 . 5 1 1 X 93 93 ASN CA C 86 53.347 53.840 -0.493 1
1 1041 . 5 1 1 X 93 93 ASN CB C 86 39.379 38.662 0.717 1
1 1043 . 5 1 1 X 93 93 ASN N N 86 113.372 114.068 -0.696 1
1 1045 . 5 1 1 X 94 94 GLY H H 87 7.535 8.100 -0.565 1
1 1046 . 5 1 1 X 94 94 GLY HA2 H 87 3.810 4.005 -0.195 1
1 1047 . 5 1 1 X 94 94 GLY HA3 H 87 3.810 4.008 -0.198 1
1 1048 . 5 1 1 X 94 94 GLY C C 87 174.481 173.825 0.656 1
1 1049 . 5 1 1 X 94 94 GLY CA C 87 47.230 45.003 2.227 1
1 1050 . 5 1 1 X 94 94 GLY N N 87 108.152 106.870 1.282 1
1 1051 . 5 1 1 X 95 95 LYS H H 88 8.037 7.842 0.195 1
1 1052 . 5 1 1 X 95 95 LYS HA H 88 4.654 4.724 -0.070 1
1 1061 . 5 1 1 X 95 95 LYS CA C 88 53.357 53.104 0.253 1
1 1062 . 5 1 1 X 95 95 LYS CB C 88 32.741 32.671 0.070 1
1 1066 . 5 1 1 X 95 95 LYS N N 88 119.147 120.395 -1.248 1
1 1067 . 5 1 1 X 96 96 PRO HA H 89 4.275 4.568 -0.293 1
1 1074 . 5 1 1 X 96 96 PRO C C 89 176.696 176.939 -0.243 1
1 1075 . 5 1 1 X 96 96 PRO CA C 89 63.482 62.515 0.967 1
1 1076 . 5 1 1 X 96 96 PRO CB C 89 32.981 32.599 0.382 1
1 1079 . 5 1 1 X 97 97 GLY H H 90 8.336 8.324 0.012 1
1 1080 . 5 1 1 X 97 97 GLY HA2 H 90 4.074 3.692 0.382 1
1 1081 . 5 1 1 X 97 97 GLY HA3 H 90 3.615 3.701 -0.086 1
1 1082 . 5 1 1 X 97 97 GLY C C 90 173.388 173.261 0.127 1
1 1083 . 5 1 1 X 97 97 GLY CA C 90 43.347 43.945 -0.598 1
1 1084 . 5 1 1 X 97 97 GLY N N 90 110.343 107.490 2.853 1
1 1085 . 5 1 1 X 98 98 PHE H H 91 7.749 7.848 -0.099 1
1 1086 . 5 1 1 X 98 98 PHE HA H 91 4.527 4.803 -0.276 1
1 1094 . 5 1 1 X 98 98 PHE C C 91 177.021 175.515 1.506 1
1 1095 . 5 1 1 X 98 98 PHE CA C 91 59.184 57.836 1.348 1
1 1096 . 5 1 1 X 98 98 PHE CB C 91 40.005 41.374 -1.369 1
1 1102 . 5 1 1 X 98 98 PHE N N 91 116.151 120.368 -4.217 1
1 1103 . 5 1 1 X 99 99 LYS H H 92 8.531 9.136 -0.605 1
1 1104 . 5 1 1 X 99 99 LYS HA H 92 4.178 4.660 -0.482 1
1 1113 . 5 1 1 X 99 99 LYS C C 92 176.542 176.176 0.366 1
1 1114 . 5 1 1 X 99 99 LYS CA C 92 57.292 55.488 1.804 1
1 1115 . 5 1 1 X 99 99 LYS CB C 92 32.875 33.853 -0.978 1
1 1119 . 5 1 1 X 99 99 LYS N N 92 123.602 119.731 3.871 1
1 1120 . 5 1 1 X 100 100 GLN H H 93 8.633 8.530 0.103 1
1 1121 . 5 1 1 X 100 100 GLN HA H 93 4.297 4.857 -0.560 1
1 1128 . 5 1 1 X 100 100 GLN C C 93 175.318 175.743 -0.425 1
1 1129 . 5 1 1 X 100 100 GLN CA C 93 56.479 55.020 1.459 1
1 1130 . 5 1 1 X 100 100 GLN CB C 93 29.751 30.202 -0.451 1
1 1133 . 5 1 1 X 100 100 GLN N N 93 125.089 120.051 5.038 1
1 12 . 6 1 1 X 10 10 LEU H H 3 8.121 8.656 -0.535 1
1 13 . 6 1 1 X 10 10 LEU HA H 3 4.240 5.550 -1.310 1
1 23 . 6 1 1 X 10 10 LEU C C 3 176.909 175.969 0.940 1
1 24 . 6 1 1 X 10 10 LEU CA C 3 54.748 53.609 1.139 1
1 25 . 6 1 1 X 10 10 LEU CB C 3 41.272 43.024 -1.752 1
1 29 . 6 1 1 X 10 10 LEU N N 3 123.688 122.280 1.408 1
1 30 . 6 1 1 X 11 11 LYS H H 4 7.677 8.833 -1.156 1
1 31 . 6 1 1 X 11 11 LYS HA H 4 4.404 4.610 -0.206 1
1 40 . 6 1 1 X 11 11 LYS C C 4 176.184 177.544 -1.360 1
1 41 . 6 1 1 X 11 11 LYS CA C 4 55.828 54.545 1.283 1
1 42 . 6 1 1 X 11 11 LYS CB C 4 33.482 34.629 -1.147 1
1 46 . 6 1 1 X 11 11 LYS N N 4 122.221 123.470 -1.249 1
1 47 . 6 1 1 X 12 12 ASN H H 5 8.538 8.680 -0.142 1
1 48 . 6 1 1 X 12 12 ASN HA H 5 4.685 4.872 -0.187 1
1 53 . 6 1 1 X 12 12 ASN C C 5 174.925 175.332 -0.407 1
1 54 . 6 1 1 X 12 12 ASN CA C 5 55.721 54.773 0.948 1
1 55 . 6 1 1 X 12 12 ASN CB C 5 40.409 39.528 0.881 1
1 57 . 6 1 1 X 12 12 ASN N N 5 116.610 120.420 -3.810 1
1 59 . 6 1 1 X 13 13 SER H H 6 8.144 7.685 0.459 1
1 60 . 6 1 1 X 13 13 SER HA H 6 4.819 4.785 0.034 1
1 63 . 6 1 1 X 13 13 SER C C 6 175.123 174.954 0.169 1
1 64 . 6 1 1 X 13 13 SER CA C 6 56.778 55.950 0.828 1
1 65 . 6 1 1 X 13 13 SER CB C 6 65.949 66.703 -0.754 1
1 66 . 6 1 1 X 13 13 SER N N 6 112.138 109.946 2.192 1
1 67 . 6 1 1 X 14 14 ILE H H 7 9.318 8.823 0.495 1
1 68 . 6 1 1 X 14 14 ILE HA H 7 3.966 4.203 -0.237 1
1 78 . 6 1 1 X 14 14 ILE C C 7 175.537 178.283 -2.746 1
1 79 . 6 1 1 X 14 14 ILE CA C 7 64.956 63.740 1.216 1
1 80 . 6 1 1 X 14 14 ILE CB C 7 37.062 38.002 -0.940 1
1 84 . 6 1 1 X 14 14 ILE N N 7 126.034 125.050 0.984 1
1 85 . 6 1 1 X 15 15 SER H H 8 7.504 8.240 -0.736 1
1 86 . 6 1 1 X 15 15 SER HA H 8 4.694 4.404 0.290 1
1 89 . 6 1 1 X 15 15 SER C C 8 174.278 174.715 -0.437 1
1 90 . 6 1 1 X 15 15 SER CA C 8 59.481 60.662 -1.181 1
1 91 . 6 1 1 X 15 15 SER CB C 8 63.241 63.415 -0.174 1
1 92 . 6 1 1 X 15 15 SER N N 8 112.517 117.775 -5.258 1
1 93 . 6 1 1 X 16 16 ASP H H 9 7.783 7.660 0.123 1
1 94 . 6 1 1 X 16 16 ASP HA H 9 4.791 4.743 0.048 1
1 97 . 6 1 1 X 16 16 ASP C C 9 175.976 175.913 0.063 1
1 98 . 6 1 1 X 16 16 ASP CA C 9 55.243 53.386 1.857 1
1 99 . 6 1 1 X 16 16 ASP CB C 9 43.327 41.029 2.298 1
1 100 . 6 1 1 X 16 16 ASP N N 9 117.795 119.895 -2.100 1
1 101 . 6 1 1 X 17 17 TYR H H 10 8.279 7.772 0.507 1
1 102 . 6 1 1 X 17 17 TYR HA H 10 4.962 5.039 -0.077 1
1 109 . 6 1 1 X 17 17 TYR C C 10 177.535 176.338 1.197 1
1 110 . 6 1 1 X 17 17 TYR CA C 10 58.573 57.657 0.916 1
1 111 . 6 1 1 X 17 17 TYR CB C 10 41.015 39.567 1.448 1
1 116 . 6 1 1 X 17 17 TYR N N 10 120.484 119.244 1.240 1
1 117 . 6 1 1 X 18 18 THR H H 11 8.796 8.832 -0.036 1
1 118 . 6 1 1 X 18 18 THR HA H 11 5.040 5.063 -0.023 1
1 123 . 6 1 1 X 18 18 THR C C 11 176.099 176.140 -0.041 1
1 124 . 6 1 1 X 18 18 THR CA C 11 60.775 60.871 -0.096 1
1 125 . 6 1 1 X 18 18 THR CB C 11 71.041 70.909 0.132 1
1 127 . 6 1 1 X 18 18 THR N N 11 112.143 117.220 -5.077 1
1 128 . 6 1 1 X 19 19 GLU H H 12 9.173 9.022 0.151 1
1 129 . 6 1 1 X 19 19 GLU HA H 12 2.757 3.384 -0.627 1
1 134 . 6 1 1 X 19 19 GLU C C 12 178.378 178.656 -0.278 1
1 135 . 6 1 1 X 19 19 GLU CA C 12 60.906 58.722 2.184 1
1 136 . 6 1 1 X 19 19 GLU CB C 12 29.442 28.727 0.715 1
1 138 . 6 1 1 X 19 19 GLU N N 12 122.386 121.425 0.961 1
1 139 . 6 1 1 X 20 20 ALA H H 13 8.356 8.211 0.145 1
1 140 . 6 1 1 X 20 20 ALA HA H 13 4.069 4.052 0.017 1
1 144 . 6 1 1 X 20 20 ALA C C 13 181.816 179.597 2.219 1
1 145 . 6 1 1 X 20 20 ALA CA C 13 55.388 55.283 0.105 1
1 146 . 6 1 1 X 20 20 ALA CB C 13 18.308 18.260 0.048 1
1 147 . 6 1 1 X 20 20 ALA N N 13 118.695 122.615 -3.920 1
1 148 . 6 1 1 X 21 21 GLU H H 14 8.013 8.362 -0.349 1
1 149 . 6 1 1 X 21 21 GLU HA H 14 4.131 4.112 0.019 1
1 154 . 6 1 1 X 21 21 GLU C C 14 179.649 179.246 0.403 1
1 155 . 6 1 1 X 21 21 GLU CA C 14 58.916 59.320 -0.404 1
1 156 . 6 1 1 X 21 21 GLU CB C 14 31.632 29.649 1.983 1
1 158 . 6 1 1 X 21 21 GLU N N 14 118.978 118.792 0.186 1
1 159 . 6 1 1 X 22 22 PHE H H 15 8.635 8.174 0.461 1
1 160 . 6 1 1 X 22 22 PHE HA H 15 4.049 4.319 -0.270 1
1 167 . 6 1 1 X 22 22 PHE C C 15 177.402 177.374 0.028 1
1 168 . 6 1 1 X 22 22 PHE CA C 15 62.183 61.295 0.888 1
1 169 . 6 1 1 X 22 22 PHE CB C 15 40.545 38.977 1.568 1
1 174 . 6 1 1 X 22 22 PHE N N 15 124.639 121.293 3.346 1
1 175 . 6 1 1 X 23 23 VAL H H 16 8.647 8.435 0.212 1
1 176 . 6 1 1 X 23 23 VAL HA H 16 3.416 3.738 -0.322 1
1 184 . 6 1 1 X 23 23 VAL C C 16 177.798 177.490 0.308 1
1 185 . 6 1 1 X 23 23 VAL CA C 16 67.917 64.535 3.382 1
1 186 . 6 1 1 X 23 23 VAL CB C 16 31.579 31.236 0.343 1
1 189 . 6 1 1 X 23 23 VAL N N 16 119.817 118.768 1.049 1
1 190 . 6 1 1 X 24 24 GLN H H 17 7.569 8.502 -0.933 1
1 191 . 6 1 1 X 24 24 GLN HA H 17 3.943 3.976 -0.033 1
1 198 . 6 1 1 X 24 24 GLN C C 17 178.313 178.026 0.287 1
1 199 . 6 1 1 X 24 24 GLN CA C 17 59.289 59.118 0.171 1
1 200 . 6 1 1 X 24 24 GLN CB C 17 27.814 28.062 -0.248 1
1 203 . 6 1 1 X 24 24 GLN N N 17 117.658 120.604 -2.946 1
1 205 . 6 1 1 X 25 25 LEU H H 18 7.512 7.689 -0.177 1
1 206 . 6 1 1 X 25 25 LEU HA H 18 4.136 4.029 0.107 1
1 216 . 6 1 1 X 25 25 LEU C C 18 178.440 178.384 0.056 1
1 217 . 6 1 1 X 25 25 LEU CA C 18 58.651 57.946 0.705 1
1 218 . 6 1 1 X 25 25 LEU CB C 18 40.626 41.448 -0.822 1
1 222 . 6 1 1 X 25 25 LEU N N 18 122.037 121.132 0.905 1
1 223 . 6 1 1 X 26 26 LEU H H 19 7.761 8.429 -0.668 1
1 224 . 6 1 1 X 26 26 LEU HA H 19 3.748 3.659 0.089 1
1 234 . 6 1 1 X 26 26 LEU C C 19 180.080 179.249 0.831 1
1 235 . 6 1 1 X 26 26 LEU CA C 19 58.041 57.438 0.603 1
1 236 . 6 1 1 X 26 26 LEU CB C 19 41.009 41.277 -0.268 1
1 240 . 6 1 1 X 26 26 LEU N N 19 118.502 118.097 0.405 1
1 241 . 6 1 1 X 27 27 LYS H H 20 8.357 8.299 0.058 1
1 242 . 6 1 1 X 27 27 LYS HA H 20 4.019 3.985 0.034 1
1 251 . 6 1 1 X 27 27 LYS C C 20 179.559 179.137 0.422 1
1 252 . 6 1 1 X 27 27 LYS CA C 20 59.648 59.880 -0.232 1
1 253 . 6 1 1 X 27 27 LYS CB C 20 31.995 32.002 -0.007 1
1 257 . 6 1 1 X 27 27 LYS N N 20 120.427 118.281 2.146 1
1 258 . 6 1 1 X 28 28 GLU H H 21 8.123 7.757 0.366 1
1 259 . 6 1 1 X 28 28 GLU HA H 21 4.082 4.054 0.028 1
1 264 . 6 1 1 X 28 28 GLU C C 21 179.063 178.850 0.213 1
1 265 . 6 1 1 X 28 28 GLU CA C 21 59.406 59.153 0.253 1
1 266 . 6 1 1 X 28 28 GLU CB C 21 29.146 28.962 0.184 1
1 268 . 6 1 1 X 28 28 GLU N N 21 122.374 118.604 3.770 1
1 269 . 6 1 1 X 29 29 ILE H H 22 8.049 7.994 0.055 1
1 270 . 6 1 1 X 29 29 ILE HA H 22 3.343 3.551 -0.208 1
1 280 . 6 1 1 X 29 29 ILE C C 22 177.151 177.658 -0.507 1
1 281 . 6 1 1 X 29 29 ILE CA C 22 66.435 65.451 0.984 1
1 282 . 6 1 1 X 29 29 ILE CB C 22 37.954 37.527 0.427 1
1 286 . 6 1 1 X 29 29 ILE N N 22 120.195 121.224 -1.029 1
1 287 . 6 1 1 X 30 30 GLU H H 23 7.820 8.034 -0.214 1
1 288 . 6 1 1 X 30 30 GLU HA H 23 3.983 3.813 0.170 1
1 293 . 6 1 1 X 30 30 GLU C C 23 178.990 178.899 0.091 1
1 294 . 6 1 1 X 30 30 GLU CA C 23 59.460 59.881 -0.421 1
1 295 . 6 1 1 X 30 30 GLU CB C 23 30.012 29.082 0.930 1
1 297 . 6 1 1 X 30 30 GLU N N 23 118.917 121.075 -2.158 1
1 298 . 6 1 1 X 31 31 LYS H H 24 7.678 7.520 0.158 1
1 299 . 6 1 1 X 31 31 LYS HA H 24 4.059 3.941 0.118 1
1 308 . 6 1 1 X 31 31 LYS C C 24 179.231 179.187 0.044 1
1 309 . 6 1 1 X 31 31 LYS CA C 24 59.152 59.572 -0.420 1
1 310 . 6 1 1 X 31 31 LYS CB C 24 32.712 32.389 0.323 1
1 314 . 6 1 1 X 31 31 LYS N N 24 118.807 119.094 -0.287 1
1 315 . 6 1 1 X 32 32 GLU H H 25 8.182 8.490 -0.308 1
1 316 . 6 1 1 X 32 32 GLU HA H 25 4.309 4.111 0.198 1
1 321 . 6 1 1 X 32 32 GLU C C 25 177.897 178.483 -0.586 1
1 322 . 6 1 1 X 32 32 GLU CA C 25 57.449 58.589 -1.140 1
1 323 . 6 1 1 X 32 32 GLU CB C 25 29.522 28.198 1.324 1
1 325 . 6 1 1 X 32 32 GLU N N 25 118.578 117.277 1.301 1
1 326 . 6 1 1 X 33 33 ASN H H 26 8.343 8.159 0.184 1
1 327 . 6 1 1 X 33 33 ASN HA H 26 4.608 4.545 0.063 1
1 330 . 6 1 1 X 33 33 ASN C C 26 176.524 177.763 -1.239 1
1 331 . 6 1 1 X 33 33 ASN CA C 26 55.463 55.975 -0.512 1
1 332 . 6 1 1 X 33 33 ASN CB C 26 39.074 38.568 0.506 1
1 333 . 6 1 1 X 33 33 ASN N N 26 118.483 118.823 -0.340 1
1 334 . 6 1 1 X 34 34 VAL H H 27 7.434 7.631 -0.197 1
1 335 . 6 1 1 X 34 34 VAL HA H 27 4.182 3.916 0.266 1
1 343 . 6 1 1 X 34 34 VAL C C 27 176.315 178.112 -1.797 1
1 344 . 6 1 1 X 34 34 VAL CA C 27 62.829 63.403 -0.574 1
1 345 . 6 1 1 X 34 34 VAL CB C 27 32.178 31.811 0.367 1
1 348 . 6 1 1 X 34 34 VAL N N 27 114.036 115.118 -1.082 1
1 349 . 6 1 1 X 35 35 ALA H H 28 7.648 7.809 -0.161 1
1 350 . 6 1 1 X 35 35 ALA HA H 28 4.346 4.212 0.134 1
1 354 . 6 1 1 X 35 35 ALA C C 28 177.126 176.898 0.228 1
1 355 . 6 1 1 X 35 35 ALA CA C 28 52.712 53.179 -0.467 1
1 356 . 6 1 1 X 35 35 ALA CB C 28 19.915 19.535 0.380 1
1 357 . 6 1 1 X 35 35 ALA N N 28 124.066 123.586 0.480 1
1 358 . 6 1 1 X 36 36 ALA H H 29 8.337 7.892 0.445 1
1 359 . 6 1 1 X 36 36 ALA HA H 29 4.260 4.166 0.094 1
1 363 . 6 1 1 X 36 36 ALA C C 29 177.999 176.555 1.444 1
1 364 . 6 1 1 X 36 36 ALA CA C 29 53.660 52.792 0.868 1
1 365 . 6 1 1 X 36 36 ALA CB C 29 19.175 17.848 1.327 1
1 366 . 6 1 1 X 36 36 ALA N N 29 121.695 119.762 1.933 1
1 367 . 6 1 1 X 37 37 THR H H 30 8.093 7.789 0.304 1
1 368 . 6 1 1 X 37 37 THR HA H 30 4.533 4.833 -0.300 1
1 373 . 6 1 1 X 37 37 THR C C 30 174.715 173.860 0.855 1
1 374 . 6 1 1 X 37 37 THR CA C 30 60.860 60.347 0.513 1
1 375 . 6 1 1 X 37 37 THR CB C 30 70.424 70.107 0.317 1
1 377 . 6 1 1 X 37 37 THR N N 30 110.112 111.137 -1.025 1
1 378 . 6 1 1 X 38 38 ASP H H 31 8.488 8.477 0.011 1
1 379 . 6 1 1 X 38 38 ASP HA H 31 4.685 4.979 -0.294 1
1 382 . 6 1 1 X 38 38 ASP C C 31 175.896 177.100 -1.204 1
1 383 . 6 1 1 X 38 38 ASP CA C 31 54.704 53.566 1.138 1
1 384 . 6 1 1 X 38 38 ASP CB C 31 41.389 42.934 -1.545 1
1 385 . 6 1 1 X 38 38 ASP N N 31 121.899 120.213 1.686 1
1 386 . 6 1 1 X 39 39 ASP H H 32 8.368 8.255 0.113 1
1 387 . 6 1 1 X 39 39 ASP HA H 32 4.459 4.520 -0.061 1
1 390 . 6 1 1 X 39 39 ASP C C 32 177.499 178.014 -0.515 1
1 391 . 6 1 1 X 39 39 ASP CA C 32 56.443 56.514 -0.071 1
1 392 . 6 1 1 X 39 39 ASP CB C 32 40.737 41.273 -0.536 1
1 393 . 6 1 1 X 39 39 ASP N N 32 118.770 120.277 -1.507 1
1 394 . 6 1 1 X 40 40 VAL H H 33 7.963 7.904 0.059 1
1 395 . 6 1 1 X 40 40 VAL HA H 33 3.800 3.850 -0.050 1
1 403 . 6 1 1 X 40 40 VAL C C 33 177.362 177.407 -0.045 1
1 404 . 6 1 1 X 40 40 VAL CA C 33 64.970 64.901 0.069 1
1 405 . 6 1 1 X 40 40 VAL CB C 33 32.256 31.555 0.701 1
1 408 . 6 1 1 X 40 40 VAL N N 33 119.409 118.992 0.417 1
1 409 . 6 1 1 X 41 41 LEU H H 34 8.508 7.696 0.812 1
1 410 . 6 1 1 X 41 41 LEU HA H 34 3.857 4.787 -0.930 1
1 420 . 6 1 1 X 41 41 LEU C C 34 177.633 177.993 -0.360 1
1 421 . 6 1 1 X 41 41 LEU CA C 34 58.428 58.601 -0.173 1
1 422 . 6 1 1 X 41 41 LEU CB C 34 41.755 41.203 0.552 1
1 426 . 6 1 1 X 41 41 LEU N N 34 122.150 122.204 -0.054 1
1 427 . 6 1 1 X 42 42 ASP H H 35 8.236 8.415 -0.179 1
1 428 . 6 1 1 X 42 42 ASP HA H 35 4.370 4.449 -0.079 1
1 431 . 6 1 1 X 42 42 ASP C C 35 179.155 178.853 0.302 1
1 432 . 6 1 1 X 42 42 ASP CA C 35 57.925 57.477 0.448 1
1 433 . 6 1 1 X 42 42 ASP CB C 35 40.417 40.811 -0.394 1
1 434 . 6 1 1 X 42 42 ASP N N 35 116.374 118.599 -2.225 1
1 435 . 6 1 1 X 43 43 VAL H H 36 7.320 7.670 -0.350 1
1 436 . 6 1 1 X 43 43 VAL HA H 36 3.782 3.610 0.172 1
1 444 . 6 1 1 X 43 43 VAL C C 36 179.309 178.270 1.039 1
1 445 . 6 1 1 X 43 43 VAL CA C 36 66.080 66.696 -0.616 1
1 446 . 6 1 1 X 43 43 VAL CB C 36 32.245 31.423 0.822 1
1 449 . 6 1 1 X 43 43 VAL N N 36 119.754 120.185 -0.431 1
1 450 . 6 1 1 X 44 44 LEU H H 37 8.122 8.634 -0.512 1
1 451 . 6 1 1 X 44 44 LEU HA H 37 4.008 4.067 -0.059 1
1 461 . 6 1 1 X 44 44 LEU C C 37 179.518 179.303 0.215 1
1 462 . 6 1 1 X 44 44 LEU CA C 37 58.048 57.854 0.194 1
1 463 . 6 1 1 X 44 44 LEU CB C 37 42.374 41.681 0.693 1
1 467 . 6 1 1 X 44 44 LEU N N 37 120.608 118.881 1.727 1
1 468 . 6 1 1 X 45 45 LEU H H 38 8.898 8.080 0.818 1
1 469 . 6 1 1 X 45 45 LEU HA H 38 4.030 3.898 0.132 1
1 479 . 6 1 1 X 45 45 LEU C C 38 179.166 179.347 -0.181 1
1 480 . 6 1 1 X 45 45 LEU CA C 38 58.184 58.255 -0.071 1
1 481 . 6 1 1 X 45 45 LEU CB C 38 41.506 41.697 -0.191 1
1 485 . 6 1 1 X 45 45 LEU N N 38 119.199 118.858 0.341 1
1 486 . 6 1 1 X 46 46 GLU H H 39 7.964 8.459 -0.495 1
1 487 . 6 1 1 X 46 46 GLU HA H 39 4.066 4.122 -0.056 1
1 492 . 6 1 1 X 46 46 GLU C C 39 178.995 178.813 0.182 1
1 493 . 6 1 1 X 46 46 GLU CA C 39 59.769 59.385 0.384 1
1 494 . 6 1 1 X 46 46 GLU CB C 39 29.577 29.235 0.342 1
1 496 . 6 1 1 X 46 46 GLU N N 39 119.334 118.075 1.259 1
1 497 . 6 1 1 X 47 47 HIS H H 40 8.009 8.609 -0.600 1
1 498 . 6 1 1 X 47 47 HIS HA H 40 4.416 4.388 0.028 1
1 503 . 6 1 1 X 47 47 HIS C C 40 176.115 177.012 -0.897 1
1 504 . 6 1 1 X 47 47 HIS CA C 40 60.151 58.813 1.338 1
1 505 . 6 1 1 X 47 47 HIS CB C 40 30.389 30.534 -0.145 1
1 508 . 6 1 1 X 47 47 HIS N N 40 119.610 120.171 -0.561 1
1 509 . 6 1 1 X 48 48 PHE H H 41 8.711 8.457 0.254 1
1 510 . 6 1 1 X 48 48 PHE HA H 41 3.808 4.059 -0.251 1
1 518 . 6 1 1 X 48 48 PHE C C 41 178.023 177.223 0.800 1
1 519 . 6 1 1 X 48 48 PHE CA C 41 62.654 61.229 1.425 1
1 520 . 6 1 1 X 48 48 PHE CB C 41 39.408 39.326 0.082 1
1 526 . 6 1 1 X 48 48 PHE N N 41 118.110 120.159 -2.049 1
1 527 . 6 1 1 X 49 49 VAL H H 42 8.439 8.002 0.437 1
1 528 . 6 1 1 X 49 49 VAL HA H 42 3.359 3.485 -0.126 1
1 536 . 6 1 1 X 49 49 VAL C C 42 178.340 177.358 0.982 1
1 537 . 6 1 1 X 49 49 VAL CA C 42 67.276 64.384 2.892 1
1 538 . 6 1 1 X 49 49 VAL CB C 42 32.235 31.341 0.894 1
1 541 . 6 1 1 X 49 49 VAL N N 42 121.301 118.635 2.666 1
1 542 . 6 1 1 X 50 50 LYS H H 43 8.091 8.260 -0.169 1
1 543 . 6 1 1 X 50 50 LYS HA H 43 3.973 3.978 -0.005 1
1 552 . 6 1 1 X 50 50 LYS C C 43 178.985 179.208 -0.223 1
1 553 . 6 1 1 X 50 50 LYS CA C 43 59.580 59.659 -0.079 1
1 554 . 6 1 1 X 50 50 LYS CB C 43 32.784 31.926 0.858 1
1 558 . 6 1 1 X 50 50 LYS N N 43 120.887 120.618 0.269 1
1 559 . 6 1 1 X 51 51 ILE H H 44 8.347 7.625 0.722 1
1 560 . 6 1 1 X 51 51 ILE HA H 44 4.159 3.804 0.355 1
1 570 . 6 1 1 X 51 51 ILE C C 44 178.121 177.752 0.369 1
1 571 . 6 1 1 X 51 51 ILE CA C 44 62.328 64.242 -1.914 1
1 572 . 6 1 1 X 51 51 ILE CB C 44 37.576 37.333 0.243 1
1 576 . 6 1 1 X 51 51 ILE N N 44 111.354 118.587 -7.233 1
1 577 . 6 1 1 X 52 52 THR H H 45 7.588 7.516 0.072 1
1 578 . 6 1 1 X 52 52 THR HA H 45 3.683 4.098 -0.415 1
1 583 . 6 1 1 X 52 52 THR C C 45 176.285 174.214 2.071 1
1 584 . 6 1 1 X 52 52 THR CA C 45 65.803 65.053 0.750 1
1 585 . 6 1 1 X 52 52 THR CB C 45 69.689 69.173 0.516 1
1 587 . 6 1 1 X 52 52 THR N N 45 109.646 116.515 -6.869 1
1 588 . 6 1 1 X 53 53 GLU H H 46 7.366 7.956 -0.590 1
1 589 . 6 1 1 X 53 53 GLU HA H 46 3.836 4.083 -0.247 1
1 594 . 6 1 1 X 53 53 GLU C C 46 173.418 174.817 -1.399 1
1 595 . 6 1 1 X 53 53 GLU CA C 46 57.709 57.509 0.200 1
1 596 . 6 1 1 X 53 53 GLU CB C 46 29.067 27.331 1.736 1
1 598 . 6 1 1 X 53 53 GLU N N 46 112.606 119.541 -6.935 1
1 599 . 6 1 1 X 54 54 HIS H H 47 7.127 7.517 -0.390 1
1 600 . 6 1 1 X 54 54 HIS HA H 47 3.070 3.342 -0.272 1
1 605 . 6 1 1 X 54 54 HIS CA C 47 55.826 54.933 0.893 1
1 606 . 6 1 1 X 54 54 HIS CB C 47 32.124 30.927 1.197 1
1 609 . 6 1 1 X 54 54 HIS N N 47 119.651 119.607 0.044 1
1 610 . 6 1 1 X 55 55 PRO HA H 48 4.143 4.321 -0.178 1
1 617 . 6 1 1 X 55 55 PRO CA C 48 64.843 64.629 0.214 1
1 618 . 6 1 1 X 55 55 PRO CB C 48 32.350 31.774 0.576 1
1 621 . 6 1 1 X 56 56 ASP H H 49 10.605 7.702 2.903 1
1 622 . 6 1 1 X 56 56 ASP HA H 49 4.712 5.057 -0.345 1
1 625 . 6 1 1 X 56 56 ASP C C 49 178.187 177.415 0.772 1
1 626 . 6 1 1 X 56 56 ASP CA C 49 54.989 53.740 1.249 1
1 627 . 6 1 1 X 56 56 ASP CB C 49 40.657 41.921 -1.264 1
1 628 . 6 1 1 X 56 56 ASP N N 49 121.022 117.762 3.260 1
1 629 . 6 1 1 X 57 57 GLY H H 50 8.011 8.191 -0.180 1
1 630 . 6 1 1 X 57 57 GLY HA2 H 50 4.122 3.897 0.225 1
1 631 . 6 1 1 X 57 57 GLY HA3 H 50 3.701 3.940 -0.239 1
1 632 . 6 1 1 X 57 57 GLY C C 50 175.337 175.905 -0.568 1
1 633 . 6 1 1 X 57 57 GLY CA C 50 47.435 47.530 -0.095 1
1 634 . 6 1 1 X 57 57 GLY N N 50 108.190 109.386 -1.196 1
1 635 . 6 1 1 X 58 58 THR H H 51 9.047 8.231 0.816 1
1 636 . 6 1 1 X 58 58 THR HA H 51 3.730 4.231 -0.501 1
1 641 . 6 1 1 X 58 58 THR C C 51 176.082 176.414 -0.332 1
1 642 . 6 1 1 X 58 58 THR CA C 51 64.795 65.452 -0.657 1
1 643 . 6 1 1 X 58 58 THR CB C 51 68.398 68.934 -0.536 1
1 645 . 6 1 1 X 58 58 THR N N 51 114.996 117.217 -2.221 1
1 646 . 6 1 1 X 59 59 ALA H H 52 8.142 8.214 -0.072 1
1 647 . 6 1 1 X 59 59 ALA HA H 52 4.205 4.225 -0.020 1
1 651 . 6 1 1 X 59 59 ALA C C 52 179.373 180.067 -0.694 1
1 652 . 6 1 1 X 59 59 ALA CA C 52 55.625 55.231 0.394 1
1 653 . 6 1 1 X 59 59 ALA CB C 52 18.416 18.155 0.261 1
1 654 . 6 1 1 X 59 59 ALA N N 52 125.565 123.768 1.797 1
1 655 . 6 1 1 X 60 60 LEU H H 53 7.399 8.223 -0.824 1
1 656 . 6 1 1 X 60 60 LEU HA H 53 3.835 3.935 -0.100 1
1 666 . 6 1 1 X 60 60 LEU C C 53 178.601 179.120 -0.519 1
1 667 . 6 1 1 X 60 60 LEU CA C 53 58.031 58.302 -0.271 1
1 668 . 6 1 1 X 60 60 LEU CB C 53 43.487 41.503 1.984 1
1 672 . 6 1 1 X 60 60 LEU N N 53 114.763 117.809 -3.046 1
1 673 . 6 1 1 X 61 61 ILE H H 54 6.855 7.604 -0.749 1
1 674 . 6 1 1 X 61 61 ILE HA H 54 3.518 3.351 0.167 1
1 684 . 6 1 1 X 61 61 ILE C C 54 178.595 177.663 0.932 1
1 685 . 6 1 1 X 61 61 ILE CA C 54 62.989 64.961 -1.972 1
1 686 . 6 1 1 X 61 61 ILE CB C 54 38.424 37.197 1.227 1
1 690 . 6 1 1 X 61 61 ILE N N 54 114.394 120.105 -5.711 1
1 691 . 6 1 1 X 62 62 TYR H H 55 7.489 7.817 -0.328 1
1 692 . 6 1 1 X 62 62 TYR HA H 55 4.243 4.225 0.018 1
1 699 . 6 1 1 X 62 62 TYR C C 55 178.634 178.858 -0.224 1
1 700 . 6 1 1 X 62 62 TYR CA C 55 61.518 60.632 0.886 1
1 701 . 6 1 1 X 62 62 TYR CB C 55 37.566 37.610 -0.044 1
1 706 . 6 1 1 X 62 62 TYR N N 55 117.898 118.934 -1.036 1
1 707 . 6 1 1 X 63 63 GLU H H 56 8.659 9.177 -0.518 1
1 708 . 6 1 1 X 63 63 GLU HA H 56 4.441 4.113 0.328 1
1 713 . 6 1 1 X 63 63 GLU C C 56 177.785 178.853 -1.068 1
1 714 . 6 1 1 X 63 63 GLU CA C 56 57.658 59.411 -1.753 1
1 715 . 6 1 1 X 63 63 GLU CB C 56 29.034 29.094 -0.060 1
1 717 . 6 1 1 X 63 63 GLU N N 56 119.392 117.681 1.711 1
1 718 . 6 1 1 X 64 64 ALA H H 57 7.164 8.195 -1.031 1
1 719 . 6 1 1 X 64 64 ALA HA H 57 4.021 4.112 -0.091 1
1 723 . 6 1 1 X 64 64 ALA C C 57 180.327 180.017 0.310 1
1 724 . 6 1 1 X 64 64 ALA CA C 57 55.759 54.928 0.831 1
1 725 . 6 1 1 X 64 64 ALA CB C 57 18.615 18.122 0.493 1
1 726 . 6 1 1 X 64 64 ALA N N 57 121.778 122.297 -0.519 1
1 727 . 6 1 1 X 65 65 ALA H H 58 8.076 7.865 0.211 1
1 728 . 6 1 1 X 65 65 ALA HA H 58 4.137 3.994 0.143 1
1 732 . 6 1 1 X 65 65 ALA C C 58 180.248 179.498 0.750 1
1 733 . 6 1 1 X 65 65 ALA CA C 58 55.104 55.052 0.052 1
1 734 . 6 1 1 X 65 65 ALA CB C 58 18.071 18.389 -0.318 1
1 735 . 6 1 1 X 65 65 ALA N N 58 120.307 120.000 0.307 1
1 736 . 6 1 1 X 66 66 ALA H H 59 7.893 7.473 0.420 1
1 737 . 6 1 1 X 66 66 ALA HA H 59 4.170 4.056 0.114 1
1 741 . 6 1 1 X 66 66 ALA C C 59 180.838 179.498 1.340 1
1 742 . 6 1 1 X 66 66 ALA CA C 59 54.800 55.078 -0.278 1
1 743 . 6 1 1 X 66 66 ALA CB C 59 18.184 18.104 0.080 1
1 744 . 6 1 1 X 66 66 ALA N N 59 122.126 120.631 1.495 1
1 745 . 6 1 1 X 67 67 ARG H H 60 8.139 8.927 -0.788 1
1 746 . 6 1 1 X 67 67 ARG HA H 60 4.065 4.019 0.046 1
1 753 . 6 1 1 X 67 67 ARG C C 60 178.779 178.600 0.179 1
1 754 . 6 1 1 X 67 67 ARG CA C 60 59.282 59.454 -0.172 1
1 755 . 6 1 1 X 67 67 ARG CB C 60 30.863 29.867 0.996 1
1 758 . 6 1 1 X 67 67 ARG N N 60 118.948 118.101 0.847 1
1 759 . 6 1 1 X 68 68 ALA H H 61 7.891 8.058 -0.167 1
1 760 . 6 1 1 X 68 68 ALA HA H 61 4.141 4.177 -0.036 1
1 764 . 6 1 1 X 68 68 ALA C C 61 179.329 179.907 -0.578 1
1 765 . 6 1 1 X 68 68 ALA CA C 61 54.340 54.959 -0.619 1
1 766 . 6 1 1 X 68 68 ALA CB C 61 18.528 18.243 0.285 1
1 767 . 6 1 1 X 68 68 ALA N N 61 121.473 122.465 -0.992 1
1 768 . 6 1 1 X 69 69 ALA H H 62 7.663 7.681 -0.018 1
1 769 . 6 1 1 X 69 69 ALA HA H 62 4.133 4.183 -0.050 1
1 773 . 6 1 1 X 69 69 ALA C C 62 178.591 177.707 0.884 1
1 774 . 6 1 1 X 69 69 ALA CA C 62 53.863 54.857 -0.994 1
1 775 . 6 1 1 X 69 69 ALA CB C 62 18.438 18.878 -0.440 1
1 776 . 6 1 1 X 69 69 ALA N N 62 118.937 119.303 -0.366 1
1 777 . 6 1 1 X 70 70 ALA H H 63 7.488 8.381 -0.893 1
1 778 . 6 1 1 X 70 70 ALA HA H 63 4.280 4.469 -0.189 1
1 782 . 6 1 1 X 70 70 ALA C C 63 177.318 176.406 0.912 1
1 783 . 6 1 1 X 70 70 ALA CA C 63 52.981 50.530 2.451 1
1 784 . 6 1 1 X 70 70 ALA CB C 63 19.324 18.563 0.761 1
1 785 . 6 1 1 X 70 70 ALA N N 63 118.642 118.837 -0.195 1
1 786 . 6 1 1 X 71 71 ASN H H 64 7.631 8.258 -0.627 1
1 787 . 6 1 1 X 71 71 ASN HA H 64 5.077 5.747 -0.670 1
1 792 . 6 1 1 X 71 71 ASN CA C 64 50.877 50.716 0.161 1
1 793 . 6 1 1 X 71 71 ASN CB C 64 39.243 39.567 -0.324 1
1 795 . 6 1 1 X 71 71 ASN N N 64 116.008 121.612 -5.604 1
1 797 . 6 1 1 X 72 72 PRO HA H 65 4.468 4.442 0.026 1
1 804 . 6 1 1 X 72 72 PRO CA C 65 64.454 64.581 -0.127 1
1 805 . 6 1 1 X 72 72 PRO CB C 65 32.007 32.007 0.000 1
1 808 . 6 1 1 X 73 73 GLY H H 66 8.608 7.698 0.910 1
1 809 . 6 1 1 X 73 73 GLY HA2 H 66 3.978 4.117 -0.139 1
1 810 . 6 1 1 X 73 73 GLY HA3 H 66 3.978 4.119 -0.141 1
1 811 . 6 1 1 X 73 73 GLY C C 66 175.054 174.890 0.164 1
1 812 . 6 1 1 X 73 73 GLY CA C 66 45.521 45.580 -0.059 1
1 813 . 6 1 1 X 73 73 GLY N N 66 109.435 106.016 3.419 1
1 814 . 6 1 1 X 74 74 GLY H H 67 8.085 9.030 -0.945 1
1 815 . 6 1 1 X 74 74 GLY HA2 H 67 4.132 4.019 0.113 1
1 816 . 6 1 1 X 74 74 GLY HA3 H 67 3.896 4.021 -0.125 1
1 817 . 6 1 1 X 74 74 GLY C C 67 174.008 174.028 -0.020 1
1 818 . 6 1 1 X 74 74 GLY CA C 67 45.450 45.439 0.011 1
1 819 . 6 1 1 X 74 74 GLY N N 67 108.472 106.567 1.905 1
1 820 . 6 1 1 X 75 75 ASP H H 68 8.307 7.765 0.542 1
1 821 . 6 1 1 X 75 75 ASP HA H 68 4.646 4.642 0.004 1
1 824 . 6 1 1 X 75 75 ASP C C 68 176.933 176.773 0.160 1
1 825 . 6 1 1 X 75 75 ASP CA C 68 54.226 54.660 -0.434 1
1 826 . 6 1 1 X 75 75 ASP CB C 68 41.486 41.314 0.172 1
1 827 . 6 1 1 X 75 75 ASP N N 68 119.941 120.622 -0.681 1
1 828 . 6 1 1 X 76 76 GLY H H 69 8.502 9.045 -0.543 1
1 829 . 6 1 1 X 76 76 GLY HA2 H 69 3.966 3.891 0.075 1
1 830 . 6 1 1 X 76 76 GLY HA3 H 69 3.951 3.891 0.060 1
1 831 . 6 1 1 X 76 76 GLY C C 69 174.771 175.193 -0.422 1
1 832 . 6 1 1 X 76 76 GLY CA C 69 45.744 46.778 -1.034 1
1 833 . 6 1 1 X 76 76 GLY N N 69 109.061 110.367 -1.306 1
1 834 . 6 1 1 X 77 77 GLY H H 70 8.367 8.042 0.325 1
1 835 . 6 1 1 X 77 77 GLY HA2 H 70 4.092 3.941 0.151 1
1 836 . 6 1 1 X 77 77 GLY HA3 H 70 3.920 3.942 -0.022 1
1 837 . 6 1 1 X 77 77 GLY C C 70 174.782 174.582 0.200 1
1 838 . 6 1 1 X 77 77 GLY CA C 70 45.327 46.816 -1.489 1
1 839 . 6 1 1 X 77 77 GLY N N 70 108.393 107.660 0.733 1
1 840 . 6 1 1 X 78 78 GLY H H 71 8.263 8.946 -0.683 1
1 841 . 6 1 1 X 78 78 GLY HA2 H 71 4.205 3.814 0.391 1
1 842 . 6 1 1 X 78 78 GLY HA3 H 71 4.092 3.817 0.275 1
1 843 . 6 1 1 X 78 78 GLY CA C 71 45.581 45.885 -0.304 1
1 844 . 6 1 1 X 78 78 GLY N N 71 108.388 114.130 -5.742 1
1 845 . 6 1 1 X 79 79 PRO HA H 72 4.199 4.395 -0.196 1
1 852 . 6 1 1 X 79 79 PRO C C 72 178.000 177.818 0.182 1
1 853 . 6 1 1 X 79 79 PRO CA C 72 65.568 64.825 0.743 1
1 854 . 6 1 1 X 79 79 PRO CB C 72 32.864 31.626 1.238 1
1 857 . 6 1 1 X 80 80 GLU H H 73 9.283 8.087 1.196 1
1 858 . 6 1 1 X 80 80 GLU HA H 73 3.833 4.177 -0.344 1
1 863 . 6 1 1 X 80 80 GLU C C 73 179.587 177.821 1.766 1
1 864 . 6 1 1 X 80 80 GLU CA C 73 61.125 57.780 3.345 1
1 865 . 6 1 1 X 80 80 GLU CB C 73 28.576 29.300 -0.724 1
1 867 . 6 1 1 X 80 80 GLU N N 73 117.078 116.283 0.795 1
1 868 . 6 1 1 X 81 81 GLY H H 74 7.926 7.966 -0.040 1
1 869 . 6 1 1 X 81 81 GLY HA2 H 74 3.964 4.017 -0.053 1
1 870 . 6 1 1 X 81 81 GLY HA3 H 74 3.914 4.030 -0.116 1
1 871 . 6 1 1 X 81 81 GLY C C 74 176.538 175.453 1.085 1
1 872 . 6 1 1 X 81 81 GLY CA C 74 47.084 45.501 1.583 1
1 873 . 6 1 1 X 81 81 GLY N N 74 108.577 108.245 0.332 1
1 874 . 6 1 1 X 82 82 ILE H H 75 7.593 7.577 0.016 1
1 875 . 6 1 1 X 82 82 ILE HA H 75 3.873 3.856 0.017 1
1 885 . 6 1 1 X 82 82 ILE C C 75 178.147 178.039 0.108 1
1 886 . 6 1 1 X 82 82 ILE CA C 75 65.342 64.943 0.399 1
1 887 . 6 1 1 X 82 82 ILE CB C 75 38.163 37.869 0.294 1
1 891 . 6 1 1 X 82 82 ILE N N 75 123.572 122.583 0.989 1
1 892 . 6 1 1 X 83 83 VAL H H 76 8.135 7.820 0.315 1
1 893 . 6 1 1 X 83 83 VAL HA H 76 3.575 4.100 -0.525 1
1 901 . 6 1 1 X 83 83 VAL C C 76 177.094 178.260 -1.166 1
1 902 . 6 1 1 X 83 83 VAL CA C 76 68.153 65.534 2.619 1
1 903 . 6 1 1 X 83 83 VAL CB C 76 31.653 31.156 0.497 1
1 906 . 6 1 1 X 83 83 VAL N N 76 118.553 121.065 -2.512 1
1 907 . 6 1 1 X 84 84 LYS H H 77 7.803 8.169 -0.366 1
1 908 . 6 1 1 X 84 84 LYS HA H 77 4.006 4.085 -0.079 1
1 917 . 6 1 1 X 84 84 LYS C C 77 178.064 178.838 -0.774 1
1 918 . 6 1 1 X 84 84 LYS CA C 77 60.516 59.495 1.021 1
1 919 . 6 1 1 X 84 84 LYS CB C 77 32.849 32.454 0.395 1
1 923 . 6 1 1 X 84 84 LYS N N 77 119.572 121.007 -1.435 1
1 924 . 6 1 1 X 85 85 GLU H H 78 7.629 8.034 -0.405 1
1 925 . 6 1 1 X 85 85 GLU HA H 78 4.246 4.161 0.085 1
1 930 . 6 1 1 X 85 85 GLU C C 78 179.834 179.603 0.231 1
1 931 . 6 1 1 X 85 85 GLU CA C 78 59.752 59.291 0.461 1
1 932 . 6 1 1 X 85 85 GLU CB C 78 29.189 29.496 -0.307 1
1 934 . 6 1 1 X 85 85 GLU N N 78 118.366 118.282 0.084 1
1 935 . 6 1 1 X 86 86 ILE H H 79 8.432 8.159 0.273 1
1 936 . 6 1 1 X 86 86 ILE HA H 79 3.781 3.706 0.075 1
1 946 . 6 1 1 X 86 86 ILE C C 79 177.578 177.992 -0.414 1
1 947 . 6 1 1 X 86 86 ILE CA C 79 65.454 64.910 0.544 1
1 948 . 6 1 1 X 86 86 ILE CB C 79 37.940 37.744 0.196 1
1 952 . 6 1 1 X 86 86 ILE N N 79 118.975 120.383 -1.408 1
1 953 . 6 1 1 X 87 87 LYS H H 80 9.096 8.664 0.432 1
1 954 . 6 1 1 X 87 87 LYS HA H 80 3.958 3.982 -0.024 1
1 963 . 6 1 1 X 87 87 LYS C C 80 180.285 178.668 1.617 1
1 964 . 6 1 1 X 87 87 LYS CA C 80 60.290 59.278 1.012 1
1 965 . 6 1 1 X 87 87 LYS CB C 80 33.299 32.429 0.870 1
1 969 . 6 1 1 X 87 87 LYS N N 80 119.805 120.686 -0.881 1
1 970 . 6 1 1 X 88 88 GLU H H 81 8.508 7.922 0.586 1
1 971 . 6 1 1 X 88 88 GLU HA H 81 4.099 4.100 -0.001 1
1 976 . 6 1 1 X 88 88 GLU C C 81 179.195 178.914 0.281 1
1 977 . 6 1 1 X 88 88 GLU CA C 81 59.632 59.189 0.443 1
1 978 . 6 1 1 X 88 88 GLU CB C 81 29.649 29.407 0.242 1
1 980 . 6 1 1 X 88 88 GLU N N 81 118.920 119.318 -0.398 1
1 981 . 6 1 1 X 89 89 TRP H H 82 8.682 8.175 0.507 1
1 982 . 6 1 1 X 89 89 TRP HA H 82 4.201 4.296 -0.095 1
1 991 . 6 1 1 X 89 89 TRP C C 82 179.807 178.376 1.431 1
1 992 . 6 1 1 X 89 89 TRP CA C 82 63.110 61.052 2.058 1
1 993 . 6 1 1 X 89 89 TRP CB C 82 29.285 29.619 -0.334 1
1 999 . 6 1 1 X 89 89 TRP N N 82 122.152 121.950 0.202 1
1 1001 . 6 1 1 X 90 90 ARG H H 83 9.025 8.618 0.407 1
1 1002 . 6 1 1 X 90 90 ARG HA H 83 3.295 3.849 -0.554 1
1 1009 . 6 1 1 X 90 90 ARG C C 83 178.120 178.504 -0.384 1
1 1010 . 6 1 1 X 90 90 ARG CA C 83 60.895 59.740 1.155 1
1 1011 . 6 1 1 X 90 90 ARG CB C 83 28.668 29.887 -1.219 1
1 1014 . 6 1 1 X 90 90 ARG N N 83 118.380 119.311 -0.931 1
1 1015 . 6 1 1 X 91 91 ALA H H 84 7.759 7.959 -0.200 1
1 1016 . 6 1 1 X 91 91 ALA HA H 84 4.151 4.102 0.049 1
1 1020 . 6 1 1 X 91 91 ALA C C 84 181.466 179.724 1.742 1
1 1021 . 6 1 1 X 91 91 ALA CA C 84 55.217 54.903 0.314 1
1 1022 . 6 1 1 X 91 91 ALA CB C 84 18.175 18.203 -0.028 1
1 1023 . 6 1 1 X 91 91 ALA N N 84 120.210 121.778 -1.568 1
1 1024 . 6 1 1 X 92 92 ALA H H 85 7.943 8.255 -0.312 1
1 1025 . 6 1 1 X 92 92 ALA HA H 85 4.081 4.048 0.033 1
1 1029 . 6 1 1 X 92 92 ALA C C 85 178.324 179.396 -1.072 1
1 1030 . 6 1 1 X 92 92 ALA CA C 85 54.244 55.197 -0.953 1
1 1031 . 6 1 1 X 92 92 ALA CB C 85 18.306 17.646 0.660 1
1 1032 . 6 1 1 X 92 92 ALA N N 85 120.470 119.959 0.511 1
1 1033 . 6 1 1 X 93 93 ASN H H 86 7.005 7.846 -0.841 1
1 1034 . 6 1 1 X 93 93 ASN HA H 86 4.475 4.392 0.083 1
1 1039 . 6 1 1 X 93 93 ASN C C 86 174.108 175.244 -1.136 1
1 1040 . 6 1 1 X 93 93 ASN CA C 86 53.347 53.476 -0.129 1
1 1041 . 6 1 1 X 93 93 ASN CB C 86 39.379 38.336 1.043 1
1 1043 . 6 1 1 X 93 93 ASN N N 86 113.372 113.869 -0.497 1
1 1045 . 6 1 1 X 94 94 GLY H H 87 7.535 7.679 -0.144 1
1 1046 . 6 1 1 X 94 94 GLY HA2 H 87 3.810 3.972 -0.162 1
1 1047 . 6 1 1 X 94 94 GLY HA3 H 87 3.810 3.981 -0.171 1
1 1048 . 6 1 1 X 94 94 GLY C C 87 174.481 173.845 0.636 1
1 1049 . 6 1 1 X 94 94 GLY CA C 87 47.230 45.002 2.228 1
1 1050 . 6 1 1 X 94 94 GLY N N 87 108.152 106.844 1.308 1
1 1051 . 6 1 1 X 95 95 LYS H H 88 8.037 7.849 0.188 1
1 1052 . 6 1 1 X 95 95 LYS HA H 88 4.654 4.685 -0.031 1
1 1061 . 6 1 1 X 95 95 LYS CA C 88 53.357 53.181 0.176 1
1 1062 . 6 1 1 X 95 95 LYS CB C 88 32.741 32.403 0.338 1
1 1066 . 6 1 1 X 95 95 LYS N N 88 119.147 120.400 -1.253 1
1 1067 . 6 1 1 X 96 96 PRO HA H 89 4.275 4.645 -0.370 1
1 1074 . 6 1 1 X 96 96 PRO C C 89 176.696 176.772 -0.076 1
1 1075 . 6 1 1 X 96 96 PRO CA C 89 63.482 62.829 0.653 1
1 1076 . 6 1 1 X 96 96 PRO CB C 89 32.981 32.200 0.781 1
1 1079 . 6 1 1 X 97 97 GLY H H 90 8.336 8.434 -0.098 1
1 1080 . 6 1 1 X 97 97 GLY HA2 H 90 4.074 3.733 0.341 1
1 1081 . 6 1 1 X 97 97 GLY HA3 H 90 3.615 3.845 -0.230 1
1 1082 . 6 1 1 X 97 97 GLY C C 90 173.388 173.451 -0.063 1
1 1083 . 6 1 1 X 97 97 GLY CA C 90 43.347 44.289 -0.942 1
1 1084 . 6 1 1 X 97 97 GLY N N 90 110.343 107.472 2.871 1
1 1085 . 6 1 1 X 98 98 PHE H H 91 7.749 8.176 -0.427 1
1 1086 . 6 1 1 X 98 98 PHE HA H 91 4.527 4.877 -0.350 1
1 1094 . 6 1 1 X 98 98 PHE C C 91 177.021 175.602 1.419 1
1 1095 . 6 1 1 X 98 98 PHE CA C 91 59.184 57.641 1.543 1
1 1096 . 6 1 1 X 98 98 PHE CB C 91 40.005 41.432 -1.427 1
1 1102 . 6 1 1 X 98 98 PHE N N 91 116.151 120.377 -4.226 1
1 1103 . 6 1 1 X 99 99 LYS H H 92 8.531 8.755 -0.224 1
1 1104 . 6 1 1 X 99 99 LYS HA H 92 4.178 4.479 -0.301 1
1 1113 . 6 1 1 X 99 99 LYS C C 92 176.542 176.256 0.286 1
1 1114 . 6 1 1 X 99 99 LYS CA C 92 57.292 55.573 1.719 1
1 1115 . 6 1 1 X 99 99 LYS CB C 92 32.875 33.494 -0.619 1
1 1119 . 6 1 1 X 99 99 LYS N N 92 123.602 120.087 3.515 1
1 1120 . 6 1 1 X 100 100 GLN H H 93 8.633 8.617 0.016 1
1 1121 . 6 1 1 X 100 100 GLN HA H 93 4.297 4.890 -0.593 1
1 1128 . 6 1 1 X 100 100 GLN C C 93 175.318 175.860 -0.542 1
1 1129 . 6 1 1 X 100 100 GLN CA C 93 56.479 55.069 1.410 1
1 1130 . 6 1 1 X 100 100 GLN CB C 93 29.751 30.217 -0.466 1
1 1133 . 6 1 1 X 100 100 GLN N N 93 125.089 119.948 5.141 1
1 12 . 7 1 1 X 10 10 LEU H H 3 8.121 8.685 -0.564 1
1 13 . 7 1 1 X 10 10 LEU HA H 3 4.240 5.317 -1.077 1
1 23 . 7 1 1 X 10 10 LEU C C 3 176.909 176.220 0.689 1
1 24 . 7 1 1 X 10 10 LEU CA C 3 54.748 53.321 1.427 1
1 25 . 7 1 1 X 10 10 LEU CB C 3 41.272 44.564 -3.292 1
1 29 . 7 1 1 X 10 10 LEU N N 3 123.688 122.461 1.227 1
1 30 . 7 1 1 X 11 11 LYS H H 4 7.677 8.634 -0.957 1
1 31 . 7 1 1 X 11 11 LYS HA H 4 4.404 4.619 -0.215 1
1 40 . 7 1 1 X 11 11 LYS C C 4 176.184 176.869 -0.685 1
1 41 . 7 1 1 X 11 11 LYS CA C 4 55.828 54.366 1.462 1
1 42 . 7 1 1 X 11 11 LYS CB C 4 33.482 34.252 -0.770 1
1 46 . 7 1 1 X 11 11 LYS N N 4 122.221 121.944 0.277 1
1 47 . 7 1 1 X 12 12 ASN H H 5 8.538 8.840 -0.302 1
1 48 . 7 1 1 X 12 12 ASN HA H 5 4.685 5.111 -0.426 1
1 53 . 7 1 1 X 12 12 ASN C C 5 174.925 175.212 -0.287 1
1 54 . 7 1 1 X 12 12 ASN CA C 5 55.721 54.106 1.615 1
1 55 . 7 1 1 X 12 12 ASN CB C 5 40.409 40.959 -0.550 1
1 57 . 7 1 1 X 12 12 ASN N N 5 116.610 118.146 -1.536 1
1 59 . 7 1 1 X 13 13 SER H H 6 8.144 7.734 0.410 1
1 60 . 7 1 1 X 13 13 SER HA H 6 4.819 4.839 -0.020 1
1 63 . 7 1 1 X 13 13 SER C C 6 175.123 175.151 -0.028 1
1 64 . 7 1 1 X 13 13 SER CA C 6 56.778 55.707 1.071 1
1 65 . 7 1 1 X 13 13 SER CB C 6 65.949 67.191 -1.242 1
1 66 . 7 1 1 X 13 13 SER N N 6 112.138 110.713 1.425 1
1 67 . 7 1 1 X 14 14 ILE H H 7 9.318 8.837 0.481 1
1 68 . 7 1 1 X 14 14 ILE HA H 7 3.966 4.382 -0.416 1
1 78 . 7 1 1 X 14 14 ILE C C 7 175.537 178.361 -2.824 1
1 79 . 7 1 1 X 14 14 ILE CA C 7 64.956 63.844 1.112 1
1 80 . 7 1 1 X 14 14 ILE CB C 7 37.062 38.130 -1.068 1
1 84 . 7 1 1 X 14 14 ILE N N 7 126.034 124.853 1.181 1
1 85 . 7 1 1 X 15 15 SER H H 8 7.504 8.286 -0.782 1
1 86 . 7 1 1 X 15 15 SER HA H 8 4.694 4.420 0.274 1
1 89 . 7 1 1 X 15 15 SER C C 8 174.278 174.683 -0.405 1
1 90 . 7 1 1 X 15 15 SER CA C 8 59.481 60.965 -1.484 1
1 91 . 7 1 1 X 15 15 SER CB C 8 63.241 63.473 -0.232 1
1 92 . 7 1 1 X 15 15 SER N N 8 112.517 117.806 -5.289 1
1 93 . 7 1 1 X 16 16 ASP H H 9 7.783 7.682 0.101 1
1 94 . 7 1 1 X 16 16 ASP HA H 9 4.791 4.739 0.052 1
1 97 . 7 1 1 X 16 16 ASP C C 9 175.976 175.904 0.072 1
1 98 . 7 1 1 X 16 16 ASP CA C 9 55.243 53.507 1.736 1
1 99 . 7 1 1 X 16 16 ASP CB C 9 43.327 40.998 2.329 1
1 100 . 7 1 1 X 16 16 ASP N N 9 117.795 119.915 -2.120 1
1 101 . 7 1 1 X 17 17 TYR H H 10 8.279 7.754 0.525 1
1 102 . 7 1 1 X 17 17 TYR HA H 10 4.962 5.026 -0.064 1
1 109 . 7 1 1 X 17 17 TYR C C 10 177.535 176.200 1.335 1
1 110 . 7 1 1 X 17 17 TYR CA C 10 58.573 57.513 1.060 1
1 111 . 7 1 1 X 17 17 TYR CB C 10 41.015 39.256 1.759 1
1 116 . 7 1 1 X 17 17 TYR N N 10 120.484 119.294 1.190 1
1 117 . 7 1 1 X 18 18 THR H H 11 8.796 8.824 -0.028 1
1 118 . 7 1 1 X 18 18 THR HA H 11 5.040 5.176 -0.136 1
1 123 . 7 1 1 X 18 18 THR C C 11 176.099 176.120 -0.021 1
1 124 . 7 1 1 X 18 18 THR CA C 11 60.775 61.027 -0.252 1
1 125 . 7 1 1 X 18 18 THR CB C 11 71.041 71.008 0.033 1
1 127 . 7 1 1 X 18 18 THR N N 11 112.143 117.345 -5.202 1
1 128 . 7 1 1 X 19 19 GLU H H 12 9.173 9.061 0.112 1
1 129 . 7 1 1 X 19 19 GLU HA H 12 2.757 3.496 -0.739 1
1 134 . 7 1 1 X 19 19 GLU C C 12 178.378 178.742 -0.364 1
1 135 . 7 1 1 X 19 19 GLU CA C 12 60.906 58.803 2.103 1
1 136 . 7 1 1 X 19 19 GLU CB C 12 29.442 28.848 0.594 1
1 138 . 7 1 1 X 19 19 GLU N N 12 122.386 121.250 1.136 1
1 139 . 7 1 1 X 20 20 ALA H H 13 8.356 8.131 0.225 1
1 140 . 7 1 1 X 20 20 ALA HA H 13 4.069 4.110 -0.041 1
1 144 . 7 1 1 X 20 20 ALA C C 13 181.816 179.516 2.300 1
1 145 . 7 1 1 X 20 20 ALA CA C 13 55.388 55.030 0.358 1
1 146 . 7 1 1 X 20 20 ALA CB C 13 18.308 18.472 -0.164 1
1 147 . 7 1 1 X 20 20 ALA N N 13 118.695 122.223 -3.528 1
1 148 . 7 1 1 X 21 21 GLU H H 14 8.013 8.221 -0.208 1
1 149 . 7 1 1 X 21 21 GLU HA H 14 4.131 4.107 0.024 1
1 154 . 7 1 1 X 21 21 GLU C C 14 179.649 179.314 0.335 1
1 155 . 7 1 1 X 21 21 GLU CA C 14 58.916 59.366 -0.450 1
1 156 . 7 1 1 X 21 21 GLU CB C 14 31.632 29.805 1.827 1
1 158 . 7 1 1 X 21 21 GLU N N 14 118.978 119.291 -0.313 1
1 159 . 7 1 1 X 22 22 PHE H H 15 8.635 8.312 0.323 1
1 160 . 7 1 1 X 22 22 PHE HA H 15 4.049 4.066 -0.017 1
1 167 . 7 1 1 X 22 22 PHE C C 15 177.402 177.476 -0.074 1
1 168 . 7 1 1 X 22 22 PHE CA C 15 62.183 61.317 0.866 1
1 169 . 7 1 1 X 22 22 PHE CB C 15 40.545 38.870 1.675 1
1 174 . 7 1 1 X 22 22 PHE N N 15 124.639 121.130 3.509 1
1 175 . 7 1 1 X 23 23 VAL H H 16 8.647 8.485 0.162 1
1 176 . 7 1 1 X 23 23 VAL HA H 16 3.416 3.829 -0.413 1
1 184 . 7 1 1 X 23 23 VAL C C 16 177.798 177.818 -0.020 1
1 185 . 7 1 1 X 23 23 VAL CA C 16 67.917 66.093 1.824 1
1 186 . 7 1 1 X 23 23 VAL CB C 16 31.579 31.415 0.164 1
1 189 . 7 1 1 X 23 23 VAL N N 16 119.817 118.785 1.032 1
1 190 . 7 1 1 X 24 24 GLN H H 17 7.569 8.005 -0.436 1
1 191 . 7 1 1 X 24 24 GLN HA H 17 3.943 3.994 -0.051 1
1 198 . 7 1 1 X 24 24 GLN C C 17 178.313 178.266 0.047 1
1 199 . 7 1 1 X 24 24 GLN CA C 17 59.289 59.319 -0.030 1
1 200 . 7 1 1 X 24 24 GLN CB C 17 27.814 28.090 -0.276 1
1 203 . 7 1 1 X 24 24 GLN N N 17 117.658 121.326 -3.668 1
1 205 . 7 1 1 X 25 25 LEU H H 18 7.512 7.623 -0.111 1
1 206 . 7 1 1 X 25 25 LEU HA H 18 4.136 4.005 0.131 1
1 216 . 7 1 1 X 25 25 LEU C C 18 178.440 178.027 0.413 1
1 217 . 7 1 1 X 25 25 LEU CA C 18 58.651 57.852 0.799 1
1 218 . 7 1 1 X 25 25 LEU CB C 18 40.626 41.439 -0.813 1
1 222 . 7 1 1 X 25 25 LEU N N 18 122.037 120.727 1.310 1
1 223 . 7 1 1 X 26 26 LEU H H 19 7.761 8.043 -0.282 1
1 224 . 7 1 1 X 26 26 LEU HA H 19 3.748 3.702 0.046 1
1 234 . 7 1 1 X 26 26 LEU C C 19 180.080 178.467 1.613 1
1 235 . 7 1 1 X 26 26 LEU CA C 19 58.041 58.151 -0.110 1
1 236 . 7 1 1 X 26 26 LEU CB C 19 41.009 41.411 -0.402 1
1 240 . 7 1 1 X 26 26 LEU N N 19 118.502 119.766 -1.264 1
1 241 . 7 1 1 X 27 27 LYS H H 20 8.357 8.149 0.208 1
1 242 . 7 1 1 X 27 27 LYS HA H 20 4.019 3.966 0.053 1
1 251 . 7 1 1 X 27 27 LYS C C 20 179.559 179.831 -0.272 1
1 252 . 7 1 1 X 27 27 LYS CA C 20 59.648 59.935 -0.287 1
1 253 . 7 1 1 X 27 27 LYS CB C 20 31.995 31.968 0.027 1
1 257 . 7 1 1 X 27 27 LYS N N 20 120.427 118.763 1.664 1
1 258 . 7 1 1 X 28 28 GLU H H 21 8.123 7.495 0.628 1
1 259 . 7 1 1 X 28 28 GLU HA H 21 4.082 4.021 0.061 1
1 264 . 7 1 1 X 28 28 GLU C C 21 179.063 179.486 -0.423 1
1 265 . 7 1 1 X 28 28 GLU CA C 21 59.406 59.014 0.392 1
1 266 . 7 1 1 X 28 28 GLU CB C 21 29.146 29.514 -0.368 1
1 268 . 7 1 1 X 28 28 GLU N N 21 122.374 120.024 2.350 1
1 269 . 7 1 1 X 29 29 ILE H H 22 8.049 7.998 0.051 1
1 270 . 7 1 1 X 29 29 ILE HA H 22 3.343 3.508 -0.165 1
1 280 . 7 1 1 X 29 29 ILE C C 22 177.151 178.032 -0.881 1
1 281 . 7 1 1 X 29 29 ILE CA C 22 66.435 65.543 0.892 1
1 282 . 7 1 1 X 29 29 ILE CB C 22 37.954 37.611 0.343 1
1 286 . 7 1 1 X 29 29 ILE N N 22 120.195 121.002 -0.807 1
1 287 . 7 1 1 X 30 30 GLU H H 23 7.820 8.082 -0.262 1
1 288 . 7 1 1 X 30 30 GLU HA H 23 3.983 3.774 0.209 1
1 293 . 7 1 1 X 30 30 GLU C C 23 178.990 179.138 -0.148 1
1 294 . 7 1 1 X 30 30 GLU CA C 23 59.460 59.824 -0.364 1
1 295 . 7 1 1 X 30 30 GLU CB C 23 30.012 29.523 0.489 1
1 297 . 7 1 1 X 30 30 GLU N N 23 118.917 118.933 -0.016 1
1 298 . 7 1 1 X 31 31 LYS H H 24 7.678 7.556 0.122 1
1 299 . 7 1 1 X 31 31 LYS HA H 24 4.059 3.952 0.107 1
1 308 . 7 1 1 X 31 31 LYS C C 24 179.231 179.519 -0.288 1
1 309 . 7 1 1 X 31 31 LYS CA C 24 59.152 59.716 -0.564 1
1 310 . 7 1 1 X 31 31 LYS CB C 24 32.712 32.164 0.548 1
1 314 . 7 1 1 X 31 31 LYS N N 24 118.807 120.318 -1.511 1
1 315 . 7 1 1 X 32 32 GLU H H 25 8.182 8.376 -0.194 1
1 316 . 7 1 1 X 32 32 GLU HA H 25 4.309 4.139 0.170 1
1 321 . 7 1 1 X 32 32 GLU C C 25 177.897 178.481 -0.584 1
1 322 . 7 1 1 X 32 32 GLU CA C 25 57.449 58.634 -1.185 1
1 323 . 7 1 1 X 32 32 GLU CB C 25 29.522 29.184 0.338 1
1 325 . 7 1 1 X 32 32 GLU N N 25 118.578 119.892 -1.314 1
1 326 . 7 1 1 X 33 33 ASN H H 26 8.343 7.736 0.607 1
1 327 . 7 1 1 X 33 33 ASN HA H 26 4.608 4.565 0.043 1
1 330 . 7 1 1 X 33 33 ASN C C 26 176.524 177.233 -0.709 1
1 331 . 7 1 1 X 33 33 ASN CA C 26 55.463 55.506 -0.043 1
1 332 . 7 1 1 X 33 33 ASN CB C 26 39.074 38.792 0.282 1
1 333 . 7 1 1 X 33 33 ASN N N 26 118.483 118.409 0.074 1
1 334 . 7 1 1 X 34 34 VAL H H 27 7.434 8.323 -0.889 1
1 335 . 7 1 1 X 34 34 VAL HA H 27 4.182 3.930 0.252 1
1 343 . 7 1 1 X 34 34 VAL C C 27 176.315 177.301 -0.986 1
1 344 . 7 1 1 X 34 34 VAL CA C 27 62.829 63.703 -0.874 1
1 345 . 7 1 1 X 34 34 VAL CB C 27 32.178 31.618 0.560 1
1 348 . 7 1 1 X 34 34 VAL N N 27 114.036 116.478 -2.442 1
1 349 . 7 1 1 X 35 35 ALA H H 28 7.648 7.332 0.316 1
1 350 . 7 1 1 X 35 35 ALA HA H 28 4.346 4.335 0.011 1
1 354 . 7 1 1 X 35 35 ALA C C 28 177.126 176.641 0.485 1
1 355 . 7 1 1 X 35 35 ALA CA C 28 52.712 51.889 0.823 1
1 356 . 7 1 1 X 35 35 ALA CB C 28 19.915 19.010 0.905 1
1 357 . 7 1 1 X 35 35 ALA N N 28 124.066 123.873 0.193 1
1 358 . 7 1 1 X 36 36 ALA H H 29 8.337 7.868 0.469 1
1 359 . 7 1 1 X 36 36 ALA HA H 29 4.260 3.943 0.317 1
1 363 . 7 1 1 X 36 36 ALA C C 29 177.999 176.210 1.789 1
1 364 . 7 1 1 X 36 36 ALA CA C 29 53.660 52.821 0.839 1
1 365 . 7 1 1 X 36 36 ALA CB C 29 19.175 17.408 1.767 1
1 366 . 7 1 1 X 36 36 ALA N N 29 121.695 120.397 1.298 1
1 367 . 7 1 1 X 37 37 THR H H 30 8.093 8.225 -0.132 1
1 368 . 7 1 1 X 37 37 THR HA H 30 4.533 4.669 -0.136 1
1 373 . 7 1 1 X 37 37 THR C C 30 174.715 173.810 0.905 1
1 374 . 7 1 1 X 37 37 THR CA C 30 60.860 60.478 0.382 1
1 375 . 7 1 1 X 37 37 THR CB C 30 70.424 69.883 0.541 1
1 377 . 7 1 1 X 37 37 THR N N 30 110.112 108.447 1.665 1
1 378 . 7 1 1 X 38 38 ASP H H 31 8.488 8.831 -0.343 1
1 379 . 7 1 1 X 38 38 ASP HA H 31 4.685 4.733 -0.048 1
1 382 . 7 1 1 X 38 38 ASP C C 31 175.896 177.194 -1.298 1
1 383 . 7 1 1 X 38 38 ASP CA C 31 54.704 55.653 -0.949 1
1 384 . 7 1 1 X 38 38 ASP CB C 31 41.389 42.047 -0.658 1
1 385 . 7 1 1 X 38 38 ASP N N 31 121.899 121.227 0.672 1
1 386 . 7 1 1 X 39 39 ASP H H 32 8.368 8.304 0.064 1
1 387 . 7 1 1 X 39 39 ASP HA H 32 4.459 4.330 0.129 1
1 390 . 7 1 1 X 39 39 ASP C C 32 177.499 178.437 -0.938 1
1 391 . 7 1 1 X 39 39 ASP CA C 32 56.443 57.575 -1.132 1
1 392 . 7 1 1 X 39 39 ASP CB C 32 40.737 41.747 -1.010 1
1 393 . 7 1 1 X 39 39 ASP N N 32 118.770 119.405 -0.635 1
1 394 . 7 1 1 X 40 40 VAL H H 33 7.963 8.094 -0.131 1
1 395 . 7 1 1 X 40 40 VAL HA H 33 3.800 3.848 -0.048 1
1 403 . 7 1 1 X 40 40 VAL C C 33 177.362 177.485 -0.123 1
1 404 . 7 1 1 X 40 40 VAL CA C 33 64.970 65.134 -0.164 1
1 405 . 7 1 1 X 40 40 VAL CB C 33 32.256 31.392 0.864 1
1 408 . 7 1 1 X 40 40 VAL N N 33 119.409 118.430 0.979 1
1 409 . 7 1 1 X 41 41 LEU H H 34 8.508 7.995 0.513 1
1 410 . 7 1 1 X 41 41 LEU HA H 34 3.857 3.886 -0.029 1
1 420 . 7 1 1 X 41 41 LEU C C 34 177.633 178.117 -0.484 1
1 421 . 7 1 1 X 41 41 LEU CA C 34 58.428 58.593 -0.165 1
1 422 . 7 1 1 X 41 41 LEU CB C 34 41.755 41.324 0.431 1
1 426 . 7 1 1 X 41 41 LEU N N 34 122.150 122.828 -0.678 1
1 427 . 7 1 1 X 42 42 ASP H H 35 8.236 8.527 -0.291 1
1 428 . 7 1 1 X 42 42 ASP HA H 35 4.370 4.321 0.049 1
1 431 . 7 1 1 X 42 42 ASP C C 35 179.155 178.684 0.471 1
1 432 . 7 1 1 X 42 42 ASP CA C 35 57.925 57.778 0.147 1
1 433 . 7 1 1 X 42 42 ASP CB C 35 40.417 40.964 -0.547 1
1 434 . 7 1 1 X 42 42 ASP N N 35 116.374 118.915 -2.541 1
1 435 . 7 1 1 X 43 43 VAL H H 36 7.320 8.023 -0.703 1
1 436 . 7 1 1 X 43 43 VAL HA H 36 3.782 3.594 0.188 1
1 444 . 7 1 1 X 43 43 VAL C C 36 179.309 178.388 0.921 1
1 445 . 7 1 1 X 43 43 VAL CA C 36 66.080 66.691 -0.611 1
1 446 . 7 1 1 X 43 43 VAL CB C 36 32.245 31.764 0.481 1
1 449 . 7 1 1 X 43 43 VAL N N 36 119.754 119.692 0.062 1
1 450 . 7 1 1 X 44 44 LEU H H 37 8.122 8.434 -0.312 1
1 451 . 7 1 1 X 44 44 LEU HA H 37 4.008 4.035 -0.027 1
1 461 . 7 1 1 X 44 44 LEU C C 37 179.518 179.276 0.242 1
1 462 . 7 1 1 X 44 44 LEU CA C 37 58.048 57.820 0.228 1
1 463 . 7 1 1 X 44 44 LEU CB C 37 42.374 41.719 0.655 1
1 467 . 7 1 1 X 44 44 LEU N N 37 120.608 119.000 1.608 1
1 468 . 7 1 1 X 45 45 LEU H H 38 8.898 8.476 0.422 1
1 469 . 7 1 1 X 45 45 LEU HA H 38 4.030 3.843 0.187 1
1 479 . 7 1 1 X 45 45 LEU C C 38 179.166 179.433 -0.267 1
1 480 . 7 1 1 X 45 45 LEU CA C 38 58.184 58.231 -0.047 1
1 481 . 7 1 1 X 45 45 LEU CB C 38 41.506 41.458 0.048 1
1 485 . 7 1 1 X 45 45 LEU N N 38 119.199 118.607 0.592 1
1 486 . 7 1 1 X 46 46 GLU H H 39 7.964 8.487 -0.523 1
1 487 . 7 1 1 X 46 46 GLU HA H 39 4.066 4.044 0.022 1
1 492 . 7 1 1 X 46 46 GLU C C 39 178.995 178.960 0.035 1
1 493 . 7 1 1 X 46 46 GLU CA C 39 59.769 59.588 0.181 1
1 494 . 7 1 1 X 46 46 GLU CB C 39 29.577 29.314 0.263 1
1 496 . 7 1 1 X 46 46 GLU N N 39 119.334 118.009 1.325 1
1 497 . 7 1 1 X 47 47 HIS H H 40 8.009 8.545 -0.536 1
1 498 . 7 1 1 X 47 47 HIS HA H 40 4.416 4.377 0.039 1
1 503 . 7 1 1 X 47 47 HIS C C 40 176.115 176.964 -0.849 1
1 504 . 7 1 1 X 47 47 HIS CA C 40 60.151 58.815 1.336 1
1 505 . 7 1 1 X 47 47 HIS CB C 40 30.389 30.672 -0.283 1
1 508 . 7 1 1 X 47 47 HIS N N 40 119.610 120.091 -0.481 1
1 509 . 7 1 1 X 48 48 PHE H H 41 8.711 8.370 0.341 1
1 510 . 7 1 1 X 48 48 PHE HA H 41 3.808 4.102 -0.294 1
1 518 . 7 1 1 X 48 48 PHE C C 41 178.023 177.336 0.687 1
1 519 . 7 1 1 X 48 48 PHE CA C 41 62.654 61.347 1.307 1
1 520 . 7 1 1 X 48 48 PHE CB C 41 39.408 39.148 0.260 1
1 526 . 7 1 1 X 48 48 PHE N N 41 118.110 120.186 -2.076 1
1 527 . 7 1 1 X 49 49 VAL H H 42 8.439 8.135 0.304 1
1 528 . 7 1 1 X 49 49 VAL HA H 42 3.359 3.900 -0.541 1
1 536 . 7 1 1 X 49 49 VAL C C 42 178.340 177.454 0.886 1
1 537 . 7 1 1 X 49 49 VAL CA C 42 67.276 64.432 2.844 1
1 538 . 7 1 1 X 49 49 VAL CB C 42 32.235 31.401 0.834 1
1 541 . 7 1 1 X 49 49 VAL N N 42 121.301 118.681 2.620 1
1 542 . 7 1 1 X 50 50 LYS H H 43 8.091 8.270 -0.179 1
1 543 . 7 1 1 X 50 50 LYS HA H 43 3.973 4.028 -0.055 1
1 552 . 7 1 1 X 50 50 LYS C C 43 178.985 178.380 0.605 1
1 553 . 7 1 1 X 50 50 LYS CA C 43 59.580 58.894 0.686 1
1 554 . 7 1 1 X 50 50 LYS CB C 43 32.784 31.955 0.829 1
1 558 . 7 1 1 X 50 50 LYS N N 43 120.887 119.780 1.107 1
1 559 . 7 1 1 X 51 51 ILE H H 44 8.347 7.547 0.800 1
1 560 . 7 1 1 X 51 51 ILE HA H 44 4.159 3.885 0.274 1
1 570 . 7 1 1 X 51 51 ILE C C 44 178.121 177.925 0.196 1
1 571 . 7 1 1 X 51 51 ILE CA C 44 62.328 64.476 -2.148 1
1 572 . 7 1 1 X 51 51 ILE CB C 44 37.576 37.176 0.400 1
1 576 . 7 1 1 X 51 51 ILE N N 44 111.354 116.647 -5.293 1
1 577 . 7 1 1 X 52 52 THR H H 45 7.588 7.631 -0.043 1
1 578 . 7 1 1 X 52 52 THR HA H 45 3.683 4.107 -0.424 1
1 583 . 7 1 1 X 52 52 THR C C 45 176.285 175.428 0.857 1
1 584 . 7 1 1 X 52 52 THR CA C 45 65.803 63.571 2.232 1
1 585 . 7 1 1 X 52 52 THR CB C 45 69.689 69.927 -0.238 1
1 587 . 7 1 1 X 52 52 THR N N 45 109.646 112.645 -2.999 1
1 588 . 7 1 1 X 53 53 GLU H H 46 7.366 8.000 -0.634 1
1 589 . 7 1 1 X 53 53 GLU HA H 46 3.836 3.953 -0.117 1
1 594 . 7 1 1 X 53 53 GLU C C 46 173.418 174.779 -1.361 1
1 595 . 7 1 1 X 53 53 GLU CA C 46 57.709 57.486 0.223 1
1 596 . 7 1 1 X 53 53 GLU CB C 46 29.067 27.406 1.661 1
1 598 . 7 1 1 X 53 53 GLU N N 46 112.606 113.584 -0.978 1
1 599 . 7 1 1 X 54 54 HIS H H 47 7.127 7.100 0.027 1
1 600 . 7 1 1 X 54 54 HIS HA H 47 3.070 3.408 -0.338 1
1 605 . 7 1 1 X 54 54 HIS CA C 47 55.826 54.809 1.017 1
1 606 . 7 1 1 X 54 54 HIS CB C 47 32.124 30.772 1.352 1
1 609 . 7 1 1 X 54 54 HIS N N 47 119.651 120.097 -0.446 1
1 610 . 7 1 1 X 55 55 PRO HA H 48 4.143 4.331 -0.188 1
1 617 . 7 1 1 X 55 55 PRO CA C 48 64.843 64.048 0.795 1
1 618 . 7 1 1 X 55 55 PRO CB C 48 32.350 31.543 0.807 1
1 621 . 7 1 1 X 56 56 ASP H H 49 10.605 7.638 2.967 1
1 622 . 7 1 1 X 56 56 ASP HA H 49 4.712 5.105 -0.393 1
1 625 . 7 1 1 X 56 56 ASP C C 49 178.187 177.190 0.997 1
1 626 . 7 1 1 X 56 56 ASP CA C 49 54.989 53.871 1.118 1
1 627 . 7 1 1 X 56 56 ASP CB C 49 40.657 42.102 -1.445 1
1 628 . 7 1 1 X 56 56 ASP N N 49 121.022 118.241 2.781 1
1 629 . 7 1 1 X 57 57 GLY H H 50 8.011 8.228 -0.217 1
1 630 . 7 1 1 X 57 57 GLY HA2 H 50 4.122 3.887 0.235 1
1 631 . 7 1 1 X 57 57 GLY HA3 H 50 3.701 3.927 -0.226 1
1 632 . 7 1 1 X 57 57 GLY C C 50 175.337 175.786 -0.449 1
1 633 . 7 1 1 X 57 57 GLY CA C 50 47.435 47.420 0.015 1
1 634 . 7 1 1 X 57 57 GLY N N 50 108.190 109.199 -1.009 1
1 635 . 7 1 1 X 58 58 THR H H 51 9.047 8.246 0.801 1
1 636 . 7 1 1 X 58 58 THR HA H 51 3.730 4.107 -0.377 1
1 641 . 7 1 1 X 58 58 THR C C 51 176.082 176.354 -0.272 1
1 642 . 7 1 1 X 58 58 THR CA C 51 64.795 65.207 -0.412 1
1 643 . 7 1 1 X 58 58 THR CB C 51 68.398 68.772 -0.374 1
1 645 . 7 1 1 X 58 58 THR N N 51 114.996 117.282 -2.286 1
1 646 . 7 1 1 X 59 59 ALA H H 52 8.142 8.174 -0.032 1
1 647 . 7 1 1 X 59 59 ALA HA H 52 4.205 4.383 -0.178 1
1 651 . 7 1 1 X 59 59 ALA C C 52 179.373 180.064 -0.691 1
1 652 . 7 1 1 X 59 59 ALA CA C 52 55.625 55.235 0.390 1
1 653 . 7 1 1 X 59 59 ALA CB C 52 18.416 18.474 -0.058 1
1 654 . 7 1 1 X 59 59 ALA N N 52 125.565 123.814 1.751 1
1 655 . 7 1 1 X 60 60 LEU H H 53 7.399 8.390 -0.991 1
1 656 . 7 1 1 X 60 60 LEU HA H 53 3.835 3.912 -0.077 1
1 666 . 7 1 1 X 60 60 LEU C C 53 178.601 178.846 -0.245 1
1 667 . 7 1 1 X 60 60 LEU CA C 53 58.031 58.310 -0.279 1
1 668 . 7 1 1 X 60 60 LEU CB C 53 43.487 41.861 1.626 1
1 672 . 7 1 1 X 60 60 LEU N N 53 114.763 118.631 -3.868 1
1 673 . 7 1 1 X 61 61 ILE H H 54 6.855 7.531 -0.676 1
1 674 . 7 1 1 X 61 61 ILE HA H 54 3.518 3.383 0.135 1
1 684 . 7 1 1 X 61 61 ILE C C 54 178.595 177.776 0.819 1
1 685 . 7 1 1 X 61 61 ILE CA C 54 62.989 64.977 -1.988 1
1 686 . 7 1 1 X 61 61 ILE CB C 54 38.424 37.273 1.151 1
1 690 . 7 1 1 X 61 61 ILE N N 54 114.394 119.832 -5.438 1
1 691 . 7 1 1 X 62 62 TYR H H 55 7.489 8.008 -0.519 1
1 692 . 7 1 1 X 62 62 TYR HA H 55 4.243 4.323 -0.080 1
1 699 . 7 1 1 X 62 62 TYR C C 55 178.634 178.831 -0.197 1
1 700 . 7 1 1 X 62 62 TYR CA C 55 61.518 60.733 0.785 1
1 701 . 7 1 1 X 62 62 TYR CB C 55 37.566 38.059 -0.493 1
1 706 . 7 1 1 X 62 62 TYR N N 55 117.898 119.543 -1.645 1
1 707 . 7 1 1 X 63 63 GLU H H 56 8.659 8.935 -0.276 1
1 708 . 7 1 1 X 63 63 GLU HA H 56 4.441 4.134 0.307 1
1 713 . 7 1 1 X 63 63 GLU C C 56 177.785 178.808 -1.023 1
1 714 . 7 1 1 X 63 63 GLU CA C 56 57.658 59.438 -1.780 1
1 715 . 7 1 1 X 63 63 GLU CB C 56 29.034 29.121 -0.087 1
1 717 . 7 1 1 X 63 63 GLU N N 56 119.392 117.667 1.725 1
1 718 . 7 1 1 X 64 64 ALA H H 57 7.164 8.217 -1.053 1
1 719 . 7 1 1 X 64 64 ALA HA H 57 4.021 4.136 -0.115 1
1 723 . 7 1 1 X 64 64 ALA C C 57 180.327 180.035 0.292 1
1 724 . 7 1 1 X 64 64 ALA CA C 57 55.759 55.073 0.686 1
1 725 . 7 1 1 X 64 64 ALA CB C 57 18.615 18.050 0.565 1
1 726 . 7 1 1 X 64 64 ALA N N 57 121.778 122.205 -0.427 1
1 727 . 7 1 1 X 65 65 ALA H H 58 8.076 8.220 -0.144 1
1 728 . 7 1 1 X 65 65 ALA HA H 58 4.137 4.058 0.079 1
1 732 . 7 1 1 X 65 65 ALA C C 58 180.248 179.505 0.743 1
1 733 . 7 1 1 X 65 65 ALA CA C 58 55.104 55.013 0.091 1
1 734 . 7 1 1 X 65 65 ALA CB C 58 18.071 18.231 -0.160 1
1 735 . 7 1 1 X 65 65 ALA N N 58 120.307 119.953 0.354 1
1 736 . 7 1 1 X 66 66 ALA H H 59 7.893 7.785 0.108 1
1 737 . 7 1 1 X 66 66 ALA HA H 59 4.170 4.059 0.111 1
1 741 . 7 1 1 X 66 66 ALA C C 59 180.838 179.632 1.206 1
1 742 . 7 1 1 X 66 66 ALA CA C 59 54.800 55.095 -0.295 1
1 743 . 7 1 1 X 66 66 ALA CB C 59 18.184 18.053 0.131 1
1 744 . 7 1 1 X 66 66 ALA N N 59 122.126 120.653 1.473 1
1 745 . 7 1 1 X 67 67 ARG H H 60 8.139 8.566 -0.427 1
1 746 . 7 1 1 X 67 67 ARG HA H 60 4.065 3.991 0.074 1
1 753 . 7 1 1 X 67 67 ARG C C 60 178.779 179.098 -0.319 1
1 754 . 7 1 1 X 67 67 ARG CA C 60 59.282 59.435 -0.153 1
1 755 . 7 1 1 X 67 67 ARG CB C 60 30.863 30.240 0.623 1
1 758 . 7 1 1 X 67 67 ARG N N 60 118.948 118.097 0.851 1
1 759 . 7 1 1 X 68 68 ALA H H 61 7.891 8.365 -0.474 1
1 760 . 7 1 1 X 68 68 ALA HA H 61 4.141 4.091 0.050 1
1 764 . 7 1 1 X 68 68 ALA C C 61 179.329 179.690 -0.361 1
1 765 . 7 1 1 X 68 68 ALA CA C 61 54.340 54.333 0.007 1
1 766 . 7 1 1 X 68 68 ALA CB C 61 18.528 18.274 0.254 1
1 767 . 7 1 1 X 68 68 ALA N N 61 121.473 121.914 -0.441 1
1 768 . 7 1 1 X 69 69 ALA H H 62 7.663 7.669 -0.006 1
1 769 . 7 1 1 X 69 69 ALA HA H 62 4.133 4.073 0.060 1
1 773 . 7 1 1 X 69 69 ALA C C 62 178.591 179.700 -1.109 1
1 774 . 7 1 1 X 69 69 ALA CA C 62 53.863 54.984 -1.121 1
1 775 . 7 1 1 X 69 69 ALA CB C 62 18.438 18.316 0.122 1
1 776 . 7 1 1 X 69 69 ALA N N 62 118.937 120.128 -1.191 1
1 777 . 7 1 1 X 70 70 ALA H H 63 7.488 7.138 0.350 1
1 778 . 7 1 1 X 70 70 ALA HA H 63 4.280 4.295 -0.015 1
1 782 . 7 1 1 X 70 70 ALA C C 63 177.318 177.342 -0.024 1
1 783 . 7 1 1 X 70 70 ALA CA C 63 52.981 52.660 0.321 1
1 784 . 7 1 1 X 70 70 ALA CB C 63 19.324 19.830 -0.506 1
1 785 . 7 1 1 X 70 70 ALA N N 63 118.642 117.329 1.313 1
1 786 . 7 1 1 X 71 71 ASN H H 64 7.631 8.652 -1.021 1
1 787 . 7 1 1 X 71 71 ASN HA H 64 5.077 4.407 0.670 1
1 792 . 7 1 1 X 71 71 ASN CA C 64 50.877 53.918 -3.041 1
1 793 . 7 1 1 X 71 71 ASN CB C 64 39.243 36.964 2.279 1
1 795 . 7 1 1 X 71 71 ASN N N 64 116.008 116.260 -0.252 1
1 797 . 7 1 1 X 72 72 PRO HA H 65 4.468 4.867 -0.399 1
1 804 . 7 1 1 X 72 72 PRO CA C 65 64.454 62.395 2.059 1
1 805 . 7 1 1 X 72 72 PRO CB C 65 32.007 31.809 0.198 1
1 808 . 7 1 1 X 73 73 GLY H H 66 8.608 8.599 0.009 1
1 809 . 7 1 1 X 73 73 GLY HA2 H 66 3.978 3.874 0.104 1
1 810 . 7 1 1 X 73 73 GLY HA3 H 66 3.978 3.874 0.104 1
1 811 . 7 1 1 X 73 73 GLY C C 66 175.054 174.863 0.191 1
1 812 . 7 1 1 X 73 73 GLY CA C 66 45.521 46.411 -0.890 1
1 813 . 7 1 1 X 73 73 GLY N N 66 109.435 110.360 -0.925 1
1 814 . 7 1 1 X 74 74 GLY H H 67 8.085 8.461 -0.376 1
1 815 . 7 1 1 X 74 74 GLY HA2 H 67 4.132 4.233 -0.101 1
1 816 . 7 1 1 X 74 74 GLY HA3 H 67 3.896 4.234 -0.338 1
1 817 . 7 1 1 X 74 74 GLY C C 67 174.008 171.562 2.446 1
1 818 . 7 1 1 X 74 74 GLY CA C 67 45.450 46.066 -0.616 1
1 819 . 7 1 1 X 74 74 GLY N N 67 108.472 110.611 -2.139 1
1 820 . 7 1 1 X 75 75 ASP H H 68 8.307 8.462 -0.155 1
1 821 . 7 1 1 X 75 75 ASP HA H 68 4.646 5.061 -0.415 1
1 824 . 7 1 1 X 75 75 ASP C C 68 176.933 176.108 0.825 1
1 825 . 7 1 1 X 75 75 ASP CA C 68 54.226 52.923 1.303 1
1 826 . 7 1 1 X 75 75 ASP CB C 68 41.486 43.969 -2.483 1
1 827 . 7 1 1 X 75 75 ASP N N 68 119.941 122.993 -3.052 1
1 828 . 7 1 1 X 76 76 GLY H H 69 8.502 8.704 -0.202 1
1 829 . 7 1 1 X 76 76 GLY HA2 H 69 3.966 3.992 -0.026 1
1 830 . 7 1 1 X 76 76 GLY HA3 H 69 3.951 3.993 -0.042 1
1 831 . 7 1 1 X 76 76 GLY C C 69 174.771 175.181 -0.410 1
1 832 . 7 1 1 X 76 76 GLY CA C 69 45.744 46.156 -0.412 1
1 833 . 7 1 1 X 76 76 GLY N N 69 109.061 110.882 -1.821 1
1 834 . 7 1 1 X 77 77 GLY H H 70 8.367 8.046 0.321 1
1 835 . 7 1 1 X 77 77 GLY HA2 H 70 4.092 3.879 0.213 1
1 836 . 7 1 1 X 77 77 GLY HA3 H 70 3.920 3.880 0.040 1
1 837 . 7 1 1 X 77 77 GLY C C 70 174.782 174.254 0.528 1
1 838 . 7 1 1 X 77 77 GLY CA C 70 45.327 46.384 -1.057 1
1 839 . 7 1 1 X 77 77 GLY N N 70 108.393 107.838 0.555 1
1 840 . 7 1 1 X 78 78 GLY H H 71 8.263 8.077 0.186 1
1 841 . 7 1 1 X 78 78 GLY HA2 H 71 4.205 4.016 0.189 1
1 842 . 7 1 1 X 78 78 GLY HA3 H 71 4.092 4.016 0.076 1
1 843 . 7 1 1 X 78 78 GLY CA C 71 45.581 44.247 1.334 1
1 844 . 7 1 1 X 78 78 GLY N N 71 108.388 110.487 -2.099 1
1 845 . 7 1 1 X 79 79 PRO HA H 72 4.199 4.358 -0.159 1
1 852 . 7 1 1 X 79 79 PRO C C 72 178.000 177.639 0.361 1
1 853 . 7 1 1 X 79 79 PRO CA C 72 65.568 65.203 0.365 1
1 854 . 7 1 1 X 79 79 PRO CB C 72 32.864 31.830 1.034 1
1 857 . 7 1 1 X 80 80 GLU H H 73 9.283 8.484 0.799 1
1 858 . 7 1 1 X 80 80 GLU HA H 73 3.833 4.168 -0.335 1
1 863 . 7 1 1 X 80 80 GLU C C 73 179.587 177.837 1.750 1
1 864 . 7 1 1 X 80 80 GLU CA C 73 61.125 57.891 3.234 1
1 865 . 7 1 1 X 80 80 GLU CB C 73 28.576 29.330 -0.754 1
1 867 . 7 1 1 X 80 80 GLU N N 73 117.078 117.004 0.074 1
1 868 . 7 1 1 X 81 81 GLY H H 74 7.926 7.784 0.142 1
1 869 . 7 1 1 X 81 81 GLY HA2 H 74 3.964 3.789 0.175 1
1 870 . 7 1 1 X 81 81 GLY HA3 H 74 3.914 3.795 0.119 1
1 871 . 7 1 1 X 81 81 GLY C C 74 176.538 176.171 0.367 1
1 872 . 7 1 1 X 81 81 GLY CA C 74 47.084 46.621 0.463 1
1 873 . 7 1 1 X 81 81 GLY N N 74 108.577 108.387 0.190 1
1 874 . 7 1 1 X 82 82 ILE H H 75 7.593 8.214 -0.621 1
1 875 . 7 1 1 X 82 82 ILE HA H 75 3.873 3.845 0.028 1
1 885 . 7 1 1 X 82 82 ILE C C 75 178.147 178.156 -0.009 1
1 886 . 7 1 1 X 82 82 ILE CA C 75 65.342 64.768 0.574 1
1 887 . 7 1 1 X 82 82 ILE CB C 75 38.163 37.320 0.843 1
1 891 . 7 1 1 X 82 82 ILE N N 75 123.572 119.979 3.593 1
1 892 . 7 1 1 X 83 83 VAL H H 76 8.135 7.626 0.509 1
1 893 . 7 1 1 X 83 83 VAL HA H 76 3.575 3.968 -0.393 1
1 901 . 7 1 1 X 83 83 VAL C C 76 177.094 177.912 -0.818 1
1 902 . 7 1 1 X 83 83 VAL CA C 76 68.153 65.825 2.328 1
1 903 . 7 1 1 X 83 83 VAL CB C 76 31.653 31.389 0.264 1
1 906 . 7 1 1 X 83 83 VAL N N 76 118.553 119.194 -0.641 1
1 907 . 7 1 1 X 84 84 LYS H H 77 7.803 8.043 -0.240 1
1 908 . 7 1 1 X 84 84 LYS HA H 77 4.006 4.004 0.002 1
1 917 . 7 1 1 X 84 84 LYS C C 77 178.064 178.503 -0.439 1
1 918 . 7 1 1 X 84 84 LYS CA C 77 60.516 59.178 1.338 1
1 919 . 7 1 1 X 84 84 LYS CB C 77 32.849 32.067 0.782 1
1 923 . 7 1 1 X 84 84 LYS N N 77 119.572 121.431 -1.859 1
1 924 . 7 1 1 X 85 85 GLU H H 78 7.629 7.602 0.027 1
1 925 . 7 1 1 X 85 85 GLU HA H 78 4.246 4.095 0.151 1
1 930 . 7 1 1 X 85 85 GLU C C 78 179.834 179.561 0.273 1
1 931 . 7 1 1 X 85 85 GLU CA C 78 59.752 59.282 0.470 1
1 932 . 7 1 1 X 85 85 GLU CB C 78 29.189 29.587 -0.398 1
1 934 . 7 1 1 X 85 85 GLU N N 78 118.366 118.920 -0.554 1
1 935 . 7 1 1 X 86 86 ILE H H 79 8.432 8.254 0.178 1
1 936 . 7 1 1 X 86 86 ILE HA H 79 3.781 3.609 0.172 1
1 946 . 7 1 1 X 86 86 ILE C C 79 177.578 178.150 -0.572 1
1 947 . 7 1 1 X 86 86 ILE CA C 79 65.454 64.826 0.628 1
1 948 . 7 1 1 X 86 86 ILE CB C 79 37.940 37.832 0.108 1
1 952 . 7 1 1 X 86 86 ILE N N 79 118.975 120.157 -1.182 1
1 953 . 7 1 1 X 87 87 LYS H H 80 9.096 8.629 0.467 1
1 954 . 7 1 1 X 87 87 LYS HA H 80 3.958 3.841 0.117 1
1 963 . 7 1 1 X 87 87 LYS C C 80 180.285 178.504 1.781 1
1 964 . 7 1 1 X 87 87 LYS CA C 80 60.290 59.060 1.230 1
1 965 . 7 1 1 X 87 87 LYS CB C 80 33.299 32.104 1.195 1
1 969 . 7 1 1 X 87 87 LYS N N 80 119.805 120.426 -0.621 1
1 970 . 7 1 1 X 88 88 GLU H H 81 8.508 7.916 0.592 1
1 971 . 7 1 1 X 88 88 GLU HA H 81 4.099 4.076 0.023 1
1 976 . 7 1 1 X 88 88 GLU C C 81 179.195 178.912 0.283 1
1 977 . 7 1 1 X 88 88 GLU CA C 81 59.632 59.122 0.510 1
1 978 . 7 1 1 X 88 88 GLU CB C 81 29.649 29.373 0.276 1
1 980 . 7 1 1 X 88 88 GLU N N 81 118.920 119.222 -0.302 1
1 981 . 7 1 1 X 89 89 TRP H H 82 8.682 8.065 0.617 1
1 982 . 7 1 1 X 89 89 TRP HA H 82 4.201 4.292 -0.091 1
1 991 . 7 1 1 X 89 89 TRP C C 82 179.807 177.859 1.948 1
1 992 . 7 1 1 X 89 89 TRP CA C 82 63.110 61.029 2.081 1
1 993 . 7 1 1 X 89 89 TRP CB C 82 29.285 29.621 -0.336 1
1 999 . 7 1 1 X 89 89 TRP N N 82 122.152 121.835 0.317 1
1 1001 . 7 1 1 X 90 90 ARG H H 83 9.025 8.565 0.460 1
1 1002 . 7 1 1 X 90 90 ARG HA H 83 3.295 3.923 -0.628 1
1 1009 . 7 1 1 X 90 90 ARG C C 83 178.120 177.965 0.155 1
1 1010 . 7 1 1 X 90 90 ARG CA C 83 60.895 59.737 1.158 1
1 1011 . 7 1 1 X 90 90 ARG CB C 83 28.668 29.646 -0.978 1
1 1014 . 7 1 1 X 90 90 ARG N N 83 118.380 119.417 -1.037 1
1 1015 . 7 1 1 X 91 91 ALA H H 84 7.759 8.003 -0.244 1
1 1016 . 7 1 1 X 91 91 ALA HA H 84 4.151 4.086 0.065 1
1 1020 . 7 1 1 X 91 91 ALA C C 84 181.466 179.810 1.656 1
1 1021 . 7 1 1 X 91 91 ALA CA C 84 55.217 54.861 0.356 1
1 1022 . 7 1 1 X 91 91 ALA CB C 84 18.175 17.916 0.259 1
1 1023 . 7 1 1 X 91 91 ALA N N 84 120.210 120.587 -0.377 1
1 1024 . 7 1 1 X 92 92 ALA H H 85 7.943 8.234 -0.291 1
1 1025 . 7 1 1 X 92 92 ALA HA H 85 4.081 3.955 0.126 1
1 1029 . 7 1 1 X 92 92 ALA C C 85 178.324 179.048 -0.724 1
1 1030 . 7 1 1 X 92 92 ALA CA C 85 54.244 55.145 -0.901 1
1 1031 . 7 1 1 X 92 92 ALA CB C 85 18.306 17.976 0.330 1
1 1032 . 7 1 1 X 92 92 ALA N N 85 120.470 120.576 -0.106 1
1 1033 . 7 1 1 X 93 93 ASN H H 86 7.005 7.502 -0.497 1
1 1034 . 7 1 1 X 93 93 ASN HA H 86 4.475 4.519 -0.044 1
1 1039 . 7 1 1 X 93 93 ASN C C 86 174.108 175.358 -1.250 1
1 1040 . 7 1 1 X 93 93 ASN CA C 86 53.347 53.919 -0.572 1
1 1041 . 7 1 1 X 93 93 ASN CB C 86 39.379 38.875 0.504 1
1 1043 . 7 1 1 X 93 93 ASN N N 86 113.372 114.564 -1.192 1
1 1045 . 7 1 1 X 94 94 GLY H H 87 7.535 7.923 -0.388 1
1 1046 . 7 1 1 X 94 94 GLY HA2 H 87 3.810 3.978 -0.168 1
1 1047 . 7 1 1 X 94 94 GLY HA3 H 87 3.810 3.981 -0.171 1
1 1048 . 7 1 1 X 94 94 GLY C C 87 174.481 174.049 0.432 1
1 1049 . 7 1 1 X 94 94 GLY CA C 87 47.230 45.089 2.141 1
1 1050 . 7 1 1 X 94 94 GLY N N 87 108.152 106.764 1.388 1
1 1051 . 7 1 1 X 95 95 LYS H H 88 8.037 8.178 -0.141 1
1 1052 . 7 1 1 X 95 95 LYS HA H 88 4.654 4.649 0.005 1
1 1061 . 7 1 1 X 95 95 LYS CA C 88 53.357 53.034 0.323 1
1 1062 . 7 1 1 X 95 95 LYS CB C 88 32.741 33.098 -0.357 1
1 1066 . 7 1 1 X 95 95 LYS N N 88 119.147 119.852 -0.705 1
1 1067 . 7 1 1 X 96 96 PRO HA H 89 4.275 4.452 -0.177 1
1 1074 . 7 1 1 X 96 96 PRO C C 89 176.696 177.124 -0.428 1
1 1075 . 7 1 1 X 96 96 PRO CA C 89 63.482 63.206 0.276 1
1 1076 . 7 1 1 X 96 96 PRO CB C 89 32.981 31.844 1.137 1
1 1079 . 7 1 1 X 97 97 GLY H H 90 8.336 8.451 -0.115 1
1 1080 . 7 1 1 X 97 97 GLY HA2 H 90 4.074 3.782 0.292 1
1 1081 . 7 1 1 X 97 97 GLY HA3 H 90 3.615 3.787 -0.172 1
1 1082 . 7 1 1 X 97 97 GLY C C 90 173.388 173.479 -0.091 1
1 1083 . 7 1 1 X 97 97 GLY CA C 90 43.347 44.022 -0.675 1
1 1084 . 7 1 1 X 97 97 GLY N N 90 110.343 108.584 1.759 1
1 1085 . 7 1 1 X 98 98 PHE H H 91 7.749 7.986 -0.237 1
1 1086 . 7 1 1 X 98 98 PHE HA H 91 4.527 4.768 -0.241 1
1 1094 . 7 1 1 X 98 98 PHE C C 91 177.021 175.897 1.124 1
1 1095 . 7 1 1 X 98 98 PHE CA C 91 59.184 58.343 0.841 1
1 1096 . 7 1 1 X 98 98 PHE CB C 91 40.005 39.452 0.553 1
1 1102 . 7 1 1 X 98 98 PHE N N 91 116.151 120.576 -4.425 1
1 1103 . 7 1 1 X 99 99 LYS H H 92 8.531 8.778 -0.247 1
1 1104 . 7 1 1 X 99 99 LYS HA H 92 4.178 4.537 -0.359 1
1 1113 . 7 1 1 X 99 99 LYS C C 92 176.542 175.931 0.611 1
1 1114 . 7 1 1 X 99 99 LYS CA C 92 57.292 55.819 1.473 1
1 1115 . 7 1 1 X 99 99 LYS CB C 92 32.875 33.695 -0.820 1
1 1119 . 7 1 1 X 99 99 LYS N N 92 123.602 120.566 3.036 1
1 1120 . 7 1 1 X 100 100 GLN H H 93 8.633 8.464 0.169 1
1 1121 . 7 1 1 X 100 100 GLN HA H 93 4.297 5.302 -1.005 1
1 1128 . 7 1 1 X 100 100 GLN C C 93 175.318 176.098 -0.780 1
1 1129 . 7 1 1 X 100 100 GLN CA C 93 56.479 54.141 2.338 1
1 1130 . 7 1 1 X 100 100 GLN CB C 93 29.751 31.707 -1.956 1
1 1133 . 7 1 1 X 100 100 GLN N N 93 125.089 119.166 5.923 1
1 12 . 8 1 1 X 10 10 LEU H H 3 8.121 8.418 -0.297 1
1 13 . 8 1 1 X 10 10 LEU HA H 3 4.240 5.445 -1.205 1
1 23 . 8 1 1 X 10 10 LEU C C 3 176.909 176.388 0.521 1
1 24 . 8 1 1 X 10 10 LEU CA C 3 54.748 53.514 1.234 1
1 25 . 8 1 1 X 10 10 LEU CB C 3 41.272 43.308 -2.036 1
1 29 . 8 1 1 X 10 10 LEU N N 3 123.688 122.608 1.080 1
1 30 . 8 1 1 X 11 11 LYS H H 4 7.677 8.831 -1.154 1
1 31 . 8 1 1 X 11 11 LYS HA H 4 4.404 4.652 -0.248 1
1 40 . 8 1 1 X 11 11 LYS C C 4 176.184 177.176 -0.992 1
1 41 . 8 1 1 X 11 11 LYS CA C 4 55.828 54.467 1.361 1
1 42 . 8 1 1 X 11 11 LYS CB C 4 33.482 34.693 -1.211 1
1 46 . 8 1 1 X 11 11 LYS N N 4 122.221 123.554 -1.333 1
1 47 . 8 1 1 X 12 12 ASN H H 5 8.538 8.728 -0.190 1
1 48 . 8 1 1 X 12 12 ASN HA H 5 4.685 4.796 -0.111 1
1 53 . 8 1 1 X 12 12 ASN C C 5 174.925 175.333 -0.408 1
1 54 . 8 1 1 X 12 12 ASN CA C 5 55.721 54.477 1.244 1
1 55 . 8 1 1 X 12 12 ASN CB C 5 40.409 39.480 0.929 1
1 57 . 8 1 1 X 12 12 ASN N N 5 116.610 120.351 -3.741 1
1 59 . 8 1 1 X 13 13 SER H H 6 8.144 7.641 0.503 1
1 60 . 8 1 1 X 13 13 SER HA H 6 4.819 4.757 0.062 1
1 63 . 8 1 1 X 13 13 SER C C 6 175.123 174.816 0.307 1
1 64 . 8 1 1 X 13 13 SER CA C 6 56.778 56.260 0.518 1
1 65 . 8 1 1 X 13 13 SER CB C 6 65.949 66.245 -0.296 1
1 66 . 8 1 1 X 13 13 SER N N 6 112.138 109.728 2.410 1
1 67 . 8 1 1 X 14 14 ILE H H 7 9.318 8.987 0.331 1
1 68 . 8 1 1 X 14 14 ILE HA H 7 3.966 4.264 -0.298 1
1 78 . 8 1 1 X 14 14 ILE C C 7 175.537 177.239 -1.702 1
1 79 . 8 1 1 X 14 14 ILE CA C 7 64.956 64.069 0.887 1
1 80 . 8 1 1 X 14 14 ILE CB C 7 37.062 37.930 -0.868 1
1 84 . 8 1 1 X 14 14 ILE N N 7 126.034 125.589 0.445 1
1 85 . 8 1 1 X 15 15 SER H H 8 7.504 8.077 -0.573 1
1 86 . 8 1 1 X 15 15 SER HA H 8 4.694 4.319 0.375 1
1 89 . 8 1 1 X 15 15 SER C C 8 174.278 175.419 -1.141 1
1 90 . 8 1 1 X 15 15 SER CA C 8 59.481 60.833 -1.352 1
1 91 . 8 1 1 X 15 15 SER CB C 8 63.241 62.751 0.490 1
1 92 . 8 1 1 X 15 15 SER N N 8 112.517 116.995 -4.478 1
1 93 . 8 1 1 X 16 16 ASP H H 9 7.783 7.756 0.027 1
1 94 . 8 1 1 X 16 16 ASP HA H 9 4.791 4.736 0.055 1
1 97 . 8 1 1 X 16 16 ASP C C 9 175.976 175.890 0.086 1
1 98 . 8 1 1 X 16 16 ASP CA C 9 55.243 53.562 1.681 1
1 99 . 8 1 1 X 16 16 ASP CB C 9 43.327 41.081 2.246 1
1 100 . 8 1 1 X 16 16 ASP N N 9 117.795 120.251 -2.456 1
1 101 . 8 1 1 X 17 17 TYR H H 10 8.279 7.903 0.376 1
1 102 . 8 1 1 X 17 17 TYR HA H 10 4.962 5.041 -0.079 1
1 109 . 8 1 1 X 17 17 TYR C C 10 177.535 176.184 1.351 1
1 110 . 8 1 1 X 17 17 TYR CA C 10 58.573 57.373 1.200 1
1 111 . 8 1 1 X 17 17 TYR CB C 10 41.015 40.170 0.845 1
1 116 . 8 1 1 X 17 17 TYR N N 10 120.484 118.676 1.808 1
1 117 . 8 1 1 X 18 18 THR H H 11 8.796 8.847 -0.051 1
1 118 . 8 1 1 X 18 18 THR HA H 11 5.040 4.960 0.080 1
1 123 . 8 1 1 X 18 18 THR C C 11 176.099 175.839 0.260 1
1 124 . 8 1 1 X 18 18 THR CA C 11 60.775 60.735 0.040 1
1 125 . 8 1 1 X 18 18 THR CB C 11 71.041 71.151 -0.110 1
1 127 . 8 1 1 X 18 18 THR N N 11 112.143 116.962 -4.819 1
1 128 . 8 1 1 X 19 19 GLU H H 12 9.173 9.003 0.170 1
1 129 . 8 1 1 X 19 19 GLU HA H 12 2.757 2.986 -0.229 1
1 134 . 8 1 1 X 19 19 GLU C C 12 178.378 178.427 -0.049 1
1 135 . 8 1 1 X 19 19 GLU CA C 12 60.906 58.922 1.984 1
1 136 . 8 1 1 X 19 19 GLU CB C 12 29.442 29.042 0.400 1
1 138 . 8 1 1 X 19 19 GLU N N 12 122.386 120.452 1.934 1
1 139 . 8 1 1 X 20 20 ALA H H 13 8.356 8.171 0.185 1
1 140 . 8 1 1 X 20 20 ALA HA H 13 4.069 4.100 -0.031 1
1 144 . 8 1 1 X 20 20 ALA C C 13 181.816 179.497 2.319 1
1 145 . 8 1 1 X 20 20 ALA CA C 13 55.388 54.977 0.411 1
1 146 . 8 1 1 X 20 20 ALA CB C 13 18.308 18.473 -0.165 1
1 147 . 8 1 1 X 20 20 ALA N N 13 118.695 122.092 -3.397 1
1 148 . 8 1 1 X 21 21 GLU H H 14 8.013 8.138 -0.125 1
1 149 . 8 1 1 X 21 21 GLU HA H 14 4.131 4.103 0.028 1
1 154 . 8 1 1 X 21 21 GLU C C 14 179.649 179.314 0.335 1
1 155 . 8 1 1 X 21 21 GLU CA C 14 58.916 59.220 -0.304 1
1 156 . 8 1 1 X 21 21 GLU CB C 14 31.632 29.697 1.935 1
1 158 . 8 1 1 X 21 21 GLU N N 14 118.978 119.086 -0.108 1
1 159 . 8 1 1 X 22 22 PHE H H 15 8.635 8.184 0.451 1
1 160 . 8 1 1 X 22 22 PHE HA H 15 4.049 4.129 -0.080 1
1 167 . 8 1 1 X 22 22 PHE C C 15 177.402 177.503 -0.101 1
1 168 . 8 1 1 X 22 22 PHE CA C 15 62.183 61.350 0.833 1
1 169 . 8 1 1 X 22 22 PHE CB C 15 40.545 38.886 1.659 1
1 174 . 8 1 1 X 22 22 PHE N N 15 124.639 121.139 3.500 1
1 175 . 8 1 1 X 23 23 VAL H H 16 8.647 8.350 0.297 1
1 176 . 8 1 1 X 23 23 VAL HA H 16 3.416 3.798 -0.382 1
1 184 . 8 1 1 X 23 23 VAL C C 16 177.798 177.909 -0.111 1
1 185 . 8 1 1 X 23 23 VAL CA C 16 67.917 66.103 1.814 1
1 186 . 8 1 1 X 23 23 VAL CB C 16 31.579 31.467 0.112 1
1 189 . 8 1 1 X 23 23 VAL N N 16 119.817 118.749 1.068 1
1 190 . 8 1 1 X 24 24 GLN H H 17 7.569 8.365 -0.796 1
1 191 . 8 1 1 X 24 24 GLN HA H 17 3.943 3.977 -0.034 1
1 198 . 8 1 1 X 24 24 GLN C C 17 178.313 178.034 0.279 1
1 199 . 8 1 1 X 24 24 GLN CA C 17 59.289 59.045 0.244 1
1 200 . 8 1 1 X 24 24 GLN CB C 17 27.814 28.146 -0.332 1
1 203 . 8 1 1 X 24 24 GLN N N 17 117.658 121.432 -3.774 1
1 205 . 8 1 1 X 25 25 LEU H H 18 7.512 7.778 -0.266 1
1 206 . 8 1 1 X 25 25 LEU HA H 18 4.136 4.027 0.109 1
1 216 . 8 1 1 X 25 25 LEU C C 18 178.440 178.459 -0.019 1
1 217 . 8 1 1 X 25 25 LEU CA C 18 58.651 57.898 0.753 1
1 218 . 8 1 1 X 25 25 LEU CB C 18 40.626 41.474 -0.848 1
1 222 . 8 1 1 X 25 25 LEU N N 18 122.037 120.947 1.090 1
1 223 . 8 1 1 X 26 26 LEU H H 19 7.761 8.200 -0.439 1
1 224 . 8 1 1 X 26 26 LEU HA H 19 3.748 3.625 0.123 1
1 234 . 8 1 1 X 26 26 LEU C C 19 180.080 178.981 1.099 1
1 235 . 8 1 1 X 26 26 LEU CA C 19 58.041 57.481 0.560 1
1 236 . 8 1 1 X 26 26 LEU CB C 19 41.009 41.063 -0.054 1
1 240 . 8 1 1 X 26 26 LEU N N 19 118.502 118.220 0.282 1
1 241 . 8 1 1 X 27 27 LYS H H 20 8.357 8.181 0.176 1
1 242 . 8 1 1 X 27 27 LYS HA H 20 4.019 3.923 0.096 1
1 251 . 8 1 1 X 27 27 LYS C C 20 179.559 179.551 0.008 1
1 252 . 8 1 1 X 27 27 LYS CA C 20 59.648 59.907 -0.259 1
1 253 . 8 1 1 X 27 27 LYS CB C 20 31.995 32.012 -0.017 1
1 257 . 8 1 1 X 27 27 LYS N N 20 120.427 118.247 2.180 1
1 258 . 8 1 1 X 28 28 GLU H H 21 8.123 7.486 0.637 1
1 259 . 8 1 1 X 28 28 GLU HA H 21 4.082 4.042 0.040 1
1 264 . 8 1 1 X 28 28 GLU C C 21 179.063 179.440 -0.377 1
1 265 . 8 1 1 X 28 28 GLU CA C 21 59.406 59.155 0.251 1
1 266 . 8 1 1 X 28 28 GLU CB C 21 29.146 29.322 -0.176 1
1 268 . 8 1 1 X 28 28 GLU N N 21 122.374 120.001 2.373 1
1 269 . 8 1 1 X 29 29 ILE H H 22 8.049 7.936 0.113 1
1 270 . 8 1 1 X 29 29 ILE HA H 22 3.343 3.588 -0.245 1
1 280 . 8 1 1 X 29 29 ILE C C 22 177.151 177.792 -0.641 1
1 281 . 8 1 1 X 29 29 ILE CA C 22 66.435 65.291 1.144 1
1 282 . 8 1 1 X 29 29 ILE CB C 22 37.954 37.119 0.835 1
1 286 . 8 1 1 X 29 29 ILE N N 22 120.195 121.364 -1.169 1
1 287 . 8 1 1 X 30 30 GLU H H 23 7.820 7.912 -0.092 1
1 288 . 8 1 1 X 30 30 GLU HA H 23 3.983 3.799 0.184 1
1 293 . 8 1 1 X 30 30 GLU C C 23 178.990 179.164 -0.174 1
1 294 . 8 1 1 X 30 30 GLU CA C 23 59.460 59.828 -0.368 1
1 295 . 8 1 1 X 30 30 GLU CB C 23 30.012 29.514 0.498 1
1 297 . 8 1 1 X 30 30 GLU N N 23 118.917 118.984 -0.067 1
1 298 . 8 1 1 X 31 31 LYS H H 24 7.678 7.657 0.021 1
1 299 . 8 1 1 X 31 31 LYS HA H 24 4.059 3.970 0.089 1
1 308 . 8 1 1 X 31 31 LYS C C 24 179.231 179.135 0.096 1
1 309 . 8 1 1 X 31 31 LYS CA C 24 59.152 59.804 -0.652 1
1 310 . 8 1 1 X 31 31 LYS CB C 24 32.712 32.365 0.347 1
1 314 . 8 1 1 X 31 31 LYS N N 24 118.807 120.066 -1.259 1
1 315 . 8 1 1 X 32 32 GLU H H 25 8.182 8.933 -0.751 1
1 316 . 8 1 1 X 32 32 GLU HA H 25 4.309 3.991 0.318 1
1 321 . 8 1 1 X 32 32 GLU C C 25 177.897 178.769 -0.872 1
1 322 . 8 1 1 X 32 32 GLU CA C 25 57.449 59.348 -1.899 1
1 323 . 8 1 1 X 32 32 GLU CB C 25 29.522 29.378 0.144 1
1 325 . 8 1 1 X 32 32 GLU N N 25 118.578 118.591 -0.013 1
1 326 . 8 1 1 X 33 33 ASN H H 26 8.343 7.795 0.548 1
1 327 . 8 1 1 X 33 33 ASN HA H 26 4.608 4.462 0.146 1
1 330 . 8 1 1 X 33 33 ASN C C 26 176.524 177.392 -0.868 1
1 331 . 8 1 1 X 33 33 ASN CA C 26 55.463 56.061 -0.598 1
1 332 . 8 1 1 X 33 33 ASN CB C 26 39.074 38.804 0.270 1
1 333 . 8 1 1 X 33 33 ASN N N 26 118.483 118.204 0.279 1
1 334 . 8 1 1 X 34 34 VAL H H 27 7.434 8.338 -0.904 1
1 335 . 8 1 1 X 34 34 VAL HA H 27 4.182 3.945 0.237 1
1 343 . 8 1 1 X 34 34 VAL C C 27 176.315 177.405 -1.090 1
1 344 . 8 1 1 X 34 34 VAL CA C 27 62.829 63.943 -1.114 1
1 345 . 8 1 1 X 34 34 VAL CB C 27 32.178 31.236 0.942 1
1 348 . 8 1 1 X 34 34 VAL N N 27 114.036 116.428 -2.392 1
1 349 . 8 1 1 X 35 35 ALA H H 28 7.648 7.811 -0.163 1
1 350 . 8 1 1 X 35 35 ALA HA H 28 4.346 4.276 0.070 1
1 354 . 8 1 1 X 35 35 ALA C C 28 177.126 176.866 0.260 1
1 355 . 8 1 1 X 35 35 ALA CA C 28 52.712 52.169 0.543 1
1 356 . 8 1 1 X 35 35 ALA CB C 28 19.915 19.466 0.449 1
1 357 . 8 1 1 X 35 35 ALA N N 28 124.066 123.669 0.397 1
1 358 . 8 1 1 X 36 36 ALA H H 29 8.337 7.919 0.418 1
1 359 . 8 1 1 X 36 36 ALA HA H 29 4.260 4.047 0.213 1
1 363 . 8 1 1 X 36 36 ALA C C 29 177.999 177.795 0.204 1
1 364 . 8 1 1 X 36 36 ALA CA C 29 53.660 52.892 0.768 1
1 365 . 8 1 1 X 36 36 ALA CB C 29 19.175 17.052 2.123 1
1 366 . 8 1 1 X 36 36 ALA N N 29 121.695 119.591 2.104 1
1 367 . 8 1 1 X 37 37 THR H H 30 8.093 8.355 -0.262 1
1 368 . 8 1 1 X 37 37 THR HA H 30 4.533 4.246 0.287 1
1 373 . 8 1 1 X 37 37 THR C C 30 174.715 175.348 -0.633 1
1 374 . 8 1 1 X 37 37 THR CA C 30 60.860 63.314 -2.454 1
1 375 . 8 1 1 X 37 37 THR CB C 30 70.424 70.215 0.209 1
1 377 . 8 1 1 X 37 37 THR N N 30 110.112 110.084 0.028 1
1 378 . 8 1 1 X 38 38 ASP H H 31 8.488 8.219 0.269 1
1 379 . 8 1 1 X 38 38 ASP HA H 31 4.685 4.590 0.095 1
1 382 . 8 1 1 X 38 38 ASP C C 31 175.896 176.992 -1.096 1
1 383 . 8 1 1 X 38 38 ASP CA C 31 54.704 56.294 -1.590 1
1 384 . 8 1 1 X 38 38 ASP CB C 31 41.389 40.465 0.924 1
1 385 . 8 1 1 X 38 38 ASP N N 31 121.899 121.531 0.368 1
1 386 . 8 1 1 X 39 39 ASP H H 32 8.368 8.681 -0.313 1
1 387 . 8 1 1 X 39 39 ASP HA H 32 4.459 4.292 0.167 1
1 390 . 8 1 1 X 39 39 ASP C C 32 177.499 178.225 -0.726 1
1 391 . 8 1 1 X 39 39 ASP CA C 32 56.443 57.405 -0.962 1
1 392 . 8 1 1 X 39 39 ASP CB C 32 40.737 40.691 0.046 1
1 393 . 8 1 1 X 39 39 ASP N N 32 118.770 118.849 -0.079 1
1 394 . 8 1 1 X 40 40 VAL H H 33 7.963 7.975 -0.012 1
1 395 . 8 1 1 X 40 40 VAL HA H 33 3.800 3.877 -0.077 1
1 403 . 8 1 1 X 40 40 VAL C C 33 177.362 177.441 -0.079 1
1 404 . 8 1 1 X 40 40 VAL CA C 33 64.970 64.749 0.221 1
1 405 . 8 1 1 X 40 40 VAL CB C 33 32.256 31.576 0.680 1
1 408 . 8 1 1 X 40 40 VAL N N 33 119.409 118.545 0.864 1
1 409 . 8 1 1 X 41 41 LEU H H 34 8.508 7.575 0.933 1
1 410 . 8 1 1 X 41 41 LEU HA H 34 3.857 3.893 -0.036 1
1 420 . 8 1 1 X 41 41 LEU C C 34 177.633 178.315 -0.682 1
1 421 . 8 1 1 X 41 41 LEU CA C 34 58.428 58.602 -0.174 1
1 422 . 8 1 1 X 41 41 LEU CB C 34 41.755 41.231 0.524 1
1 426 . 8 1 1 X 41 41 LEU N N 34 122.150 122.439 -0.289 1
1 427 . 8 1 1 X 42 42 ASP H H 35 8.236 8.556 -0.320 1
1 428 . 8 1 1 X 42 42 ASP HA H 35 4.370 4.346 0.024 1
1 431 . 8 1 1 X 42 42 ASP C C 35 179.155 178.639 0.516 1
1 432 . 8 1 1 X 42 42 ASP CA C 35 57.925 57.765 0.160 1
1 433 . 8 1 1 X 42 42 ASP CB C 35 40.417 41.009 -0.592 1
1 434 . 8 1 1 X 42 42 ASP N N 35 116.374 118.890 -2.516 1
1 435 . 8 1 1 X 43 43 VAL H H 36 7.320 7.691 -0.371 1
1 436 . 8 1 1 X 43 43 VAL HA H 36 3.782 3.588 0.194 1
1 444 . 8 1 1 X 43 43 VAL C C 36 179.309 178.382 0.927 1
1 445 . 8 1 1 X 43 43 VAL CA C 36 66.080 66.666 -0.586 1
1 446 . 8 1 1 X 43 43 VAL CB C 36 32.245 31.681 0.564 1
1 449 . 8 1 1 X 43 43 VAL N N 36 119.754 120.077 -0.323 1
1 450 . 8 1 1 X 44 44 LEU H H 37 8.122 8.297 -0.175 1
1 451 . 8 1 1 X 44 44 LEU HA H 37 4.008 3.982 0.026 1
1 461 . 8 1 1 X 44 44 LEU C C 37 179.518 179.245 0.273 1
1 462 . 8 1 1 X 44 44 LEU CA C 37 58.048 57.894 0.154 1
1 463 . 8 1 1 X 44 44 LEU CB C 37 42.374 41.560 0.814 1
1 467 . 8 1 1 X 44 44 LEU N N 37 120.608 119.019 1.589 1
1 468 . 8 1 1 X 45 45 LEU H H 38 8.898 8.418 0.480 1
1 469 . 8 1 1 X 45 45 LEU HA H 38 4.030 3.860 0.170 1
1 479 . 8 1 1 X 45 45 LEU C C 38 179.166 179.570 -0.404 1
1 480 . 8 1 1 X 45 45 LEU CA C 38 58.184 58.237 -0.053 1
1 481 . 8 1 1 X 45 45 LEU CB C 38 41.506 41.637 -0.131 1
1 485 . 8 1 1 X 45 45 LEU N N 38 119.199 118.730 0.469 1
1 486 . 8 1 1 X 46 46 GLU H H 39 7.964 8.641 -0.677 1
1 487 . 8 1 1 X 46 46 GLU HA H 39 4.066 4.114 -0.048 1
1 492 . 8 1 1 X 46 46 GLU C C 39 178.995 178.816 0.179 1
1 493 . 8 1 1 X 46 46 GLU CA C 39 59.769 59.169 0.600 1
1 494 . 8 1 1 X 46 46 GLU CB C 39 29.577 28.977 0.600 1
1 496 . 8 1 1 X 46 46 GLU N N 39 119.334 118.086 1.248 1
1 497 . 8 1 1 X 47 47 HIS H H 40 8.009 8.551 -0.542 1
1 498 . 8 1 1 X 47 47 HIS HA H 40 4.416 4.348 0.068 1
1 503 . 8 1 1 X 47 47 HIS C C 40 176.115 177.087 -0.972 1
1 504 . 8 1 1 X 47 47 HIS CA C 40 60.151 59.061 1.090 1
1 505 . 8 1 1 X 47 47 HIS CB C 40 30.389 30.347 0.042 1
1 508 . 8 1 1 X 47 47 HIS N N 40 119.610 120.396 -0.786 1
1 509 . 8 1 1 X 48 48 PHE H H 41 8.711 8.553 0.158 1
1 510 . 8 1 1 X 48 48 PHE HA H 41 3.808 4.107 -0.299 1
1 518 . 8 1 1 X 48 48 PHE C C 41 178.023 177.233 0.790 1
1 519 . 8 1 1 X 48 48 PHE CA C 41 62.654 61.270 1.384 1
1 520 . 8 1 1 X 48 48 PHE CB C 41 39.408 39.291 0.117 1
1 526 . 8 1 1 X 48 48 PHE N N 41 118.110 120.191 -2.081 1
1 527 . 8 1 1 X 49 49 VAL H H 42 8.439 8.184 0.255 1
1 528 . 8 1 1 X 49 49 VAL HA H 42 3.359 3.535 -0.176 1
1 536 . 8 1 1 X 49 49 VAL C C 42 178.340 177.558 0.782 1
1 537 . 8 1 1 X 49 49 VAL CA C 42 67.276 64.379 2.897 1
1 538 . 8 1 1 X 49 49 VAL CB C 42 32.235 31.367 0.868 1
1 541 . 8 1 1 X 49 49 VAL N N 42 121.301 118.680 2.621 1
1 542 . 8 1 1 X 50 50 LYS H H 43 8.091 8.256 -0.165 1
1 543 . 8 1 1 X 50 50 LYS HA H 43 3.973 4.214 -0.241 1
1 552 . 8 1 1 X 50 50 LYS C C 43 178.985 178.097 0.888 1
1 553 . 8 1 1 X 50 50 LYS CA C 43 59.580 58.871 0.709 1
1 554 . 8 1 1 X 50 50 LYS CB C 43 32.784 31.689 1.095 1
1 558 . 8 1 1 X 50 50 LYS N N 43 120.887 119.902 0.985 1
1 559 . 8 1 1 X 51 51 ILE H H 44 8.347 7.404 0.943 1
1 560 . 8 1 1 X 51 51 ILE HA H 44 4.159 3.853 0.306 1
1 570 . 8 1 1 X 51 51 ILE C C 44 178.121 177.842 0.279 1
1 571 . 8 1 1 X 51 51 ILE CA C 44 62.328 64.090 -1.762 1
1 572 . 8 1 1 X 51 51 ILE CB C 44 37.576 37.609 -0.033 1
1 576 . 8 1 1 X 51 51 ILE N N 44 111.354 116.844 -5.490 1
1 577 . 8 1 1 X 52 52 THR H H 45 7.588 7.605 -0.017 1
1 578 . 8 1 1 X 52 52 THR HA H 45 3.683 4.211 -0.528 1
1 583 . 8 1 1 X 52 52 THR C C 45 176.285 174.107 2.178 1
1 584 . 8 1 1 X 52 52 THR CA C 45 65.803 64.949 0.854 1
1 585 . 8 1 1 X 52 52 THR CB C 45 69.689 69.266 0.423 1
1 587 . 8 1 1 X 52 52 THR N N 45 109.646 116.741 -7.095 1
1 588 . 8 1 1 X 53 53 GLU H H 46 7.366 8.088 -0.722 1
1 589 . 8 1 1 X 53 53 GLU HA H 46 3.836 3.962 -0.126 1
1 594 . 8 1 1 X 53 53 GLU C C 46 173.418 174.346 -0.928 1
1 595 . 8 1 1 X 53 53 GLU CA C 46 57.709 57.362 0.347 1
1 596 . 8 1 1 X 53 53 GLU CB C 46 29.067 27.365 1.702 1
1 598 . 8 1 1 X 53 53 GLU N N 46 112.606 119.554 -6.948 1
1 599 . 8 1 1 X 54 54 HIS H H 47 7.127 7.628 -0.501 1
1 600 . 8 1 1 X 54 54 HIS HA H 47 3.070 3.888 -0.818 1
1 605 . 8 1 1 X 54 54 HIS CA C 47 55.826 54.191 1.635 1
1 606 . 8 1 1 X 54 54 HIS CB C 47 32.124 30.543 1.581 1
1 609 . 8 1 1 X 54 54 HIS N N 47 119.651 118.658 0.993 1
1 610 . 8 1 1 X 55 55 PRO HA H 48 4.143 4.351 -0.208 1
1 617 . 8 1 1 X 55 55 PRO CA C 48 64.843 64.441 0.402 1
1 618 . 8 1 1 X 55 55 PRO CB C 48 32.350 31.570 0.780 1
1 621 . 8 1 1 X 56 56 ASP H H 49 10.605 7.545 3.060 1
1 622 . 8 1 1 X 56 56 ASP HA H 49 4.712 5.044 -0.332 1
1 625 . 8 1 1 X 56 56 ASP C C 49 178.187 177.225 0.962 1
1 626 . 8 1 1 X 56 56 ASP CA C 49 54.989 53.940 1.049 1
1 627 . 8 1 1 X 56 56 ASP CB C 49 40.657 41.864 -1.207 1
1 628 . 8 1 1 X 56 56 ASP N N 49 121.022 117.902 3.120 1
1 629 . 8 1 1 X 57 57 GLY H H 50 8.011 8.152 -0.141 1
1 630 . 8 1 1 X 57 57 GLY HA2 H 50 4.122 3.936 0.186 1
1 631 . 8 1 1 X 57 57 GLY HA3 H 50 3.701 4.062 -0.361 1
1 632 . 8 1 1 X 57 57 GLY C C 50 175.337 175.934 -0.597 1
1 633 . 8 1 1 X 57 57 GLY CA C 50 47.435 47.584 -0.149 1
1 634 . 8 1 1 X 57 57 GLY N N 50 108.190 109.267 -1.077 1
1 635 . 8 1 1 X 58 58 THR H H 51 9.047 8.288 0.759 1
1 636 . 8 1 1 X 58 58 THR HA H 51 3.730 4.201 -0.471 1
1 641 . 8 1 1 X 58 58 THR C C 51 176.082 176.316 -0.234 1
1 642 . 8 1 1 X 58 58 THR CA C 51 64.795 65.429 -0.634 1
1 643 . 8 1 1 X 58 58 THR CB C 51 68.398 68.807 -0.409 1
1 645 . 8 1 1 X 58 58 THR N N 51 114.996 117.209 -2.213 1
1 646 . 8 1 1 X 59 59 ALA H H 52 8.142 8.243 -0.101 1
1 647 . 8 1 1 X 59 59 ALA HA H 52 4.205 4.254 -0.049 1
1 651 . 8 1 1 X 59 59 ALA C C 52 179.373 180.061 -0.688 1
1 652 . 8 1 1 X 59 59 ALA CA C 52 55.625 55.289 0.336 1
1 653 . 8 1 1 X 59 59 ALA CB C 52 18.416 18.065 0.351 1
1 654 . 8 1 1 X 59 59 ALA N N 52 125.565 123.400 2.165 1
1 655 . 8 1 1 X 60 60 LEU H H 53 7.399 8.416 -1.017 1
1 656 . 8 1 1 X 60 60 LEU HA H 53 3.835 3.970 -0.135 1
1 666 . 8 1 1 X 60 60 LEU C C 53 178.601 179.164 -0.563 1
1 667 . 8 1 1 X 60 60 LEU CA C 53 58.031 57.999 0.032 1
1 668 . 8 1 1 X 60 60 LEU CB C 53 43.487 41.935 1.552 1
1 672 . 8 1 1 X 60 60 LEU N N 53 114.763 118.513 -3.750 1
1 673 . 8 1 1 X 61 61 ILE H H 54 6.855 7.459 -0.604 1
1 674 . 8 1 1 X 61 61 ILE HA H 54 3.518 3.384 0.134 1
1 684 . 8 1 1 X 61 61 ILE C C 54 178.595 177.782 0.813 1
1 685 . 8 1 1 X 61 61 ILE CA C 54 62.989 65.037 -2.048 1
1 686 . 8 1 1 X 61 61 ILE CB C 54 38.424 37.320 1.104 1
1 690 . 8 1 1 X 61 61 ILE N N 54 114.394 119.176 -4.782 1
1 691 . 8 1 1 X 62 62 TYR H H 55 7.489 8.000 -0.511 1
1 692 . 8 1 1 X 62 62 TYR HA H 55 4.243 4.370 -0.127 1
1 699 . 8 1 1 X 62 62 TYR C C 55 178.634 178.359 0.275 1
1 700 . 8 1 1 X 62 62 TYR CA C 55 61.518 60.552 0.966 1
1 701 . 8 1 1 X 62 62 TYR CB C 55 37.566 37.912 -0.346 1
1 706 . 8 1 1 X 62 62 TYR N N 55 117.898 119.083 -1.185 1
1 707 . 8 1 1 X 63 63 GLU H H 56 8.659 9.010 -0.351 1
1 708 . 8 1 1 X 63 63 GLU HA H 56 4.441 3.973 0.468 1
1 713 . 8 1 1 X 63 63 GLU C C 56 177.785 178.729 -0.944 1
1 714 . 8 1 1 X 63 63 GLU CA C 56 57.658 59.583 -1.925 1
1 715 . 8 1 1 X 63 63 GLU CB C 56 29.034 29.803 -0.769 1
1 717 . 8 1 1 X 63 63 GLU N N 56 119.392 119.395 -0.003 1
1 718 . 8 1 1 X 64 64 ALA H H 57 7.164 8.233 -1.069 1
1 719 . 8 1 1 X 64 64 ALA HA H 57 4.021 4.137 -0.116 1
1 723 . 8 1 1 X 64 64 ALA C C 57 180.327 179.768 0.559 1
1 724 . 8 1 1 X 64 64 ALA CA C 57 55.759 54.953 0.806 1
1 725 . 8 1 1 X 64 64 ALA CB C 57 18.615 18.105 0.510 1
1 726 . 8 1 1 X 64 64 ALA N N 57 121.778 123.423 -1.645 1
1 727 . 8 1 1 X 65 65 ALA H H 58 8.076 8.425 -0.349 1
1 728 . 8 1 1 X 65 65 ALA HA H 58 4.137 3.934 0.203 1
1 732 . 8 1 1 X 65 65 ALA C C 58 180.248 179.600 0.648 1
1 733 . 8 1 1 X 65 65 ALA CA C 58 55.104 55.063 0.041 1
1 734 . 8 1 1 X 65 65 ALA CB C 58 18.071 18.151 -0.080 1
1 735 . 8 1 1 X 65 65 ALA N N 58 120.307 119.693 0.614 1
1 736 . 8 1 1 X 66 66 ALA H H 59 7.893 7.564 0.329 1
1 737 . 8 1 1 X 66 66 ALA HA H 59 4.170 4.058 0.112 1
1 741 . 8 1 1 X 66 66 ALA C C 59 180.838 179.490 1.348 1
1 742 . 8 1 1 X 66 66 ALA CA C 59 54.800 55.091 -0.291 1
1 743 . 8 1 1 X 66 66 ALA CB C 59 18.184 18.061 0.123 1
1 744 . 8 1 1 X 66 66 ALA N N 59 122.126 120.012 2.114 1
1 745 . 8 1 1 X 67 67 ARG H H 60 8.139 8.970 -0.831 1
1 746 . 8 1 1 X 67 67 ARG HA H 60 4.065 3.951 0.114 1
1 753 . 8 1 1 X 67 67 ARG C C 60 178.779 178.322 0.457 1
1 754 . 8 1 1 X 67 67 ARG CA C 60 59.282 59.605 -0.323 1
1 755 . 8 1 1 X 67 67 ARG CB C 60 30.863 29.994 0.869 1
1 758 . 8 1 1 X 67 67 ARG N N 60 118.948 118.022 0.926 1
1 759 . 8 1 1 X 68 68 ALA H H 61 7.891 8.642 -0.751 1
1 760 . 8 1 1 X 68 68 ALA HA H 61 4.141 4.135 0.006 1
1 764 . 8 1 1 X 68 68 ALA C C 61 179.329 179.785 -0.456 1
1 765 . 8 1 1 X 68 68 ALA CA C 61 54.340 54.759 -0.419 1
1 766 . 8 1 1 X 68 68 ALA CB C 61 18.528 18.476 0.052 1
1 767 . 8 1 1 X 68 68 ALA N N 61 121.473 122.018 -0.545 1
1 768 . 8 1 1 X 69 69 ALA H H 62 7.663 7.702 -0.039 1
1 769 . 8 1 1 X 69 69 ALA HA H 62 4.133 4.056 0.077 1
1 773 . 8 1 1 X 69 69 ALA C C 62 178.591 179.576 -0.985 1
1 774 . 8 1 1 X 69 69 ALA CA C 62 53.863 55.004 -1.141 1
1 775 . 8 1 1 X 69 69 ALA CB C 62 18.438 18.159 0.279 1
1 776 . 8 1 1 X 69 69 ALA N N 62 118.937 120.475 -1.538 1
1 777 . 8 1 1 X 70 70 ALA H H 63 7.488 7.445 0.043 1
1 778 . 8 1 1 X 70 70 ALA HA H 63 4.280 4.207 0.073 1
1 782 . 8 1 1 X 70 70 ALA C C 63 177.318 177.708 -0.390 1
1 783 . 8 1 1 X 70 70 ALA CA C 63 52.981 54.958 -1.977 1
1 784 . 8 1 1 X 70 70 ALA CB C 63 19.324 19.857 -0.533 1
1 785 . 8 1 1 X 70 70 ALA N N 63 118.642 118.219 0.423 1
1 786 . 8 1 1 X 71 71 ASN H H 64 7.631 7.881 -0.250 1
1 787 . 8 1 1 X 71 71 ASN HA H 64 5.077 4.411 0.666 1
1 792 . 8 1 1 X 71 71 ASN CA C 64 50.877 53.938 -3.061 1
1 793 . 8 1 1 X 71 71 ASN CB C 64 39.243 36.881 2.362 1
1 795 . 8 1 1 X 71 71 ASN N N 64 116.008 115.936 0.072 1
1 797 . 8 1 1 X 72 72 PRO HA H 65 4.468 4.442 0.026 1
1 804 . 8 1 1 X 72 72 PRO CA C 65 64.454 65.227 -0.773 1
1 805 . 8 1 1 X 72 72 PRO CB C 65 32.007 31.752 0.255 1
1 808 . 8 1 1 X 73 73 GLY H H 66 8.608 7.532 1.076 1
1 809 . 8 1 1 X 73 73 GLY HA2 H 66 3.978 4.140 -0.162 1
1 810 . 8 1 1 X 73 73 GLY HA3 H 66 3.978 4.140 -0.162 1
1 811 . 8 1 1 X 73 73 GLY C C 66 175.054 174.088 0.966 1
1 812 . 8 1 1 X 73 73 GLY CA C 66 45.521 45.435 0.086 1
1 813 . 8 1 1 X 73 73 GLY N N 66 109.435 104.014 5.421 1
1 814 . 8 1 1 X 74 74 GLY H H 67 8.085 7.900 0.185 1
1 815 . 8 1 1 X 74 74 GLY HA2 H 67 4.132 4.105 0.027 1
1 816 . 8 1 1 X 74 74 GLY HA3 H 67 3.896 4.106 -0.210 1
1 817 . 8 1 1 X 74 74 GLY C C 67 174.008 172.171 1.837 1
1 818 . 8 1 1 X 74 74 GLY CA C 67 45.450 45.117 0.333 1
1 819 . 8 1 1 X 74 74 GLY N N 67 108.472 107.372 1.100 1
1 820 . 8 1 1 X 75 75 ASP H H 68 8.307 8.370 -0.063 1
1 821 . 8 1 1 X 75 75 ASP HA H 68 4.646 5.027 -0.381 1
1 824 . 8 1 1 X 75 75 ASP C C 68 176.933 175.903 1.030 1
1 825 . 8 1 1 X 75 75 ASP CA C 68 54.226 52.942 1.284 1
1 826 . 8 1 1 X 75 75 ASP CB C 68 41.486 43.899 -2.413 1
1 827 . 8 1 1 X 75 75 ASP N N 68 119.941 121.781 -1.840 1
1 828 . 8 1 1 X 76 76 GLY H H 69 8.502 8.782 -0.280 1
1 829 . 8 1 1 X 76 76 GLY HA2 H 69 3.966 3.950 0.016 1
1 830 . 8 1 1 X 76 76 GLY HA3 H 69 3.951 3.951 0.000 1
1 831 . 8 1 1 X 76 76 GLY C C 69 174.771 175.303 -0.532 1
1 832 . 8 1 1 X 76 76 GLY CA C 69 45.744 46.743 -0.999 1
1 833 . 8 1 1 X 76 76 GLY N N 69 109.061 111.431 -2.370 1
1 834 . 8 1 1 X 77 77 GLY H H 70 8.367 8.114 0.253 1
1 835 . 8 1 1 X 77 77 GLY HA2 H 70 4.092 3.806 0.286 1
1 836 . 8 1 1 X 77 77 GLY HA3 H 70 3.920 3.807 0.113 1
1 837 . 8 1 1 X 77 77 GLY C C 70 174.782 174.425 0.357 1
1 838 . 8 1 1 X 77 77 GLY CA C 70 45.327 46.765 -1.438 1
1 839 . 8 1 1 X 77 77 GLY N N 70 108.393 107.358 1.035 1
1 840 . 8 1 1 X 78 78 GLY H H 71 8.263 8.165 0.098 1
1 841 . 8 1 1 X 78 78 GLY HA2 H 71 4.205 4.124 0.081 1
1 842 . 8 1 1 X 78 78 GLY HA3 H 71 4.092 4.127 -0.035 1
1 843 . 8 1 1 X 78 78 GLY CA C 71 45.581 44.337 1.244 1
1 844 . 8 1 1 X 78 78 GLY N N 71 108.388 109.168 -0.780 1
1 845 . 8 1 1 X 79 79 PRO HA H 72 4.199 4.289 -0.090 1
1 852 . 8 1 1 X 79 79 PRO C C 72 178.000 177.770 0.230 1
1 853 . 8 1 1 X 79 79 PRO CA C 72 65.568 65.343 0.225 1
1 854 . 8 1 1 X 79 79 PRO CB C 72 32.864 31.528 1.336 1
1 857 . 8 1 1 X 80 80 GLU H H 73 9.283 8.552 0.731 1
1 858 . 8 1 1 X 80 80 GLU HA H 73 3.833 4.186 -0.353 1
1 863 . 8 1 1 X 80 80 GLU C C 73 179.587 177.781 1.806 1
1 864 . 8 1 1 X 80 80 GLU CA C 73 61.125 57.903 3.222 1
1 865 . 8 1 1 X 80 80 GLU CB C 73 28.576 29.208 -0.632 1
1 867 . 8 1 1 X 80 80 GLU N N 73 117.078 116.835 0.243 1
1 868 . 8 1 1 X 81 81 GLY H H 74 7.926 7.933 -0.007 1
1 869 . 8 1 1 X 81 81 GLY HA2 H 74 3.964 3.856 0.108 1
1 870 . 8 1 1 X 81 81 GLY HA3 H 74 3.914 3.870 0.044 1
1 871 . 8 1 1 X 81 81 GLY C C 74 176.538 176.213 0.325 1
1 872 . 8 1 1 X 81 81 GLY CA C 74 47.084 46.604 0.480 1
1 873 . 8 1 1 X 81 81 GLY N N 74 108.577 108.380 0.197 1
1 874 . 8 1 1 X 82 82 ILE H H 75 7.593 8.517 -0.924 1
1 875 . 8 1 1 X 82 82 ILE HA H 75 3.873 3.872 0.001 1
1 885 . 8 1 1 X 82 82 ILE C C 75 178.147 178.135 0.012 1
1 886 . 8 1 1 X 82 82 ILE CA C 75 65.342 64.834 0.508 1
1 887 . 8 1 1 X 82 82 ILE CB C 75 38.163 37.318 0.845 1
1 891 . 8 1 1 X 82 82 ILE N N 75 123.572 120.034 3.538 1
1 892 . 8 1 1 X 83 83 VAL H H 76 8.135 7.796 0.339 1
1 893 . 8 1 1 X 83 83 VAL HA H 76 3.575 4.117 -0.542 1
1 901 . 8 1 1 X 83 83 VAL C C 76 177.094 178.014 -0.920 1
1 902 . 8 1 1 X 83 83 VAL CA C 76 68.153 65.883 2.270 1
1 903 . 8 1 1 X 83 83 VAL CB C 76 31.653 31.525 0.128 1
1 906 . 8 1 1 X 83 83 VAL N N 76 118.553 118.555 -0.002 1
1 907 . 8 1 1 X 84 84 LYS H H 77 7.803 7.857 -0.054 1
1 908 . 8 1 1 X 84 84 LYS HA H 77 4.006 4.024 -0.018 1
1 917 . 8 1 1 X 84 84 LYS C C 77 178.064 178.481 -0.417 1
1 918 . 8 1 1 X 84 84 LYS CA C 77 60.516 59.405 1.111 1
1 919 . 8 1 1 X 84 84 LYS CB C 77 32.849 32.181 0.668 1
1 923 . 8 1 1 X 84 84 LYS N N 77 119.572 120.938 -1.366 1
1 924 . 8 1 1 X 85 85 GLU H H 78 7.629 7.789 -0.160 1
1 925 . 8 1 1 X 85 85 GLU HA H 78 4.246 4.124 0.122 1
1 930 . 8 1 1 X 85 85 GLU C C 78 179.834 179.367 0.467 1
1 931 . 8 1 1 X 85 85 GLU CA C 78 59.752 59.045 0.707 1
1 932 . 8 1 1 X 85 85 GLU CB C 78 29.189 29.451 -0.262 1
1 934 . 8 1 1 X 85 85 GLU N N 78 118.366 118.787 -0.421 1
1 935 . 8 1 1 X 86 86 ILE H H 79 8.432 8.466 -0.034 1
1 936 . 8 1 1 X 86 86 ILE HA H 79 3.781 3.580 0.201 1
1 946 . 8 1 1 X 86 86 ILE C C 79 177.578 178.337 -0.759 1
1 947 . 8 1 1 X 86 86 ILE CA C 79 65.454 64.839 0.615 1
1 948 . 8 1 1 X 86 86 ILE CB C 79 37.940 37.913 0.027 1
1 952 . 8 1 1 X 86 86 ILE N N 79 118.975 120.544 -1.569 1
1 953 . 8 1 1 X 87 87 LYS H H 80 9.096 8.371 0.725 1
1 954 . 8 1 1 X 87 87 LYS HA H 80 3.958 3.721 0.237 1
1 963 . 8 1 1 X 87 87 LYS C C 80 180.285 178.448 1.837 1
1 964 . 8 1 1 X 87 87 LYS CA C 80 60.290 59.045 1.245 1
1 965 . 8 1 1 X 87 87 LYS CB C 80 33.299 32.031 1.268 1
1 969 . 8 1 1 X 87 87 LYS N N 80 119.805 120.508 -0.703 1
1 970 . 8 1 1 X 88 88 GLU H H 81 8.508 8.113 0.395 1
1 971 . 8 1 1 X 88 88 GLU HA H 81 4.099 4.077 0.022 1
1 976 . 8 1 1 X 88 88 GLU C C 81 179.195 178.876 0.319 1
1 977 . 8 1 1 X 88 88 GLU CA C 81 59.632 59.116 0.516 1
1 978 . 8 1 1 X 88 88 GLU CB C 81 29.649 29.632 0.017 1
1 980 . 8 1 1 X 88 88 GLU N N 81 118.920 119.230 -0.310 1
1 981 . 8 1 1 X 89 89 TRP H H 82 8.682 7.859 0.823 1
1 982 . 8 1 1 X 89 89 TRP HA H 82 4.201 4.284 -0.083 1
1 991 . 8 1 1 X 89 89 TRP C C 82 179.807 178.557 1.250 1
1 992 . 8 1 1 X 89 89 TRP CA C 82 63.110 61.038 2.072 1
1 993 . 8 1 1 X 89 89 TRP CB C 82 29.285 29.592 -0.307 1
1 999 . 8 1 1 X 89 89 TRP N N 82 122.152 122.249 -0.097 1
1 1001 . 8 1 1 X 90 90 ARG H H 83 9.025 8.085 0.940 1
1 1002 . 8 1 1 X 90 90 ARG HA H 83 3.295 3.801 -0.506 1
1 1009 . 8 1 1 X 90 90 ARG C C 83 178.120 178.804 -0.684 1
1 1010 . 8 1 1 X 90 90 ARG CA C 83 60.895 59.812 1.083 1
1 1011 . 8 1 1 X 90 90 ARG CB C 83 28.668 29.910 -1.242 1
1 1014 . 8 1 1 X 90 90 ARG N N 83 118.380 119.048 -0.668 1
1 1015 . 8 1 1 X 91 91 ALA H H 84 7.759 7.766 -0.007 1
1 1016 . 8 1 1 X 91 91 ALA HA H 84 4.151 4.057 0.094 1
1 1020 . 8 1 1 X 91 91 ALA C C 84 181.466 180.053 1.413 1
1 1021 . 8 1 1 X 91 91 ALA CA C 84 55.217 55.049 0.168 1
1 1022 . 8 1 1 X 91 91 ALA CB C 84 18.175 17.902 0.273 1
1 1023 . 8 1 1 X 91 91 ALA N N 84 120.210 122.042 -1.832 1
1 1024 . 8 1 1 X 92 92 ALA H H 85 7.943 7.849 0.094 1
1 1025 . 8 1 1 X 92 92 ALA HA H 85 4.081 4.025 0.056 1
1 1029 . 8 1 1 X 92 92 ALA C C 85 178.324 179.547 -1.223 1
1 1030 . 8 1 1 X 92 92 ALA CA C 85 54.244 54.731 -0.487 1
1 1031 . 8 1 1 X 92 92 ALA CB C 85 18.306 18.249 0.057 1
1 1032 . 8 1 1 X 92 92 ALA N N 85 120.470 120.305 0.165 1
1 1033 . 8 1 1 X 93 93 ASN H H 86 7.005 7.753 -0.748 1
1 1034 . 8 1 1 X 93 93 ASN HA H 86 4.475 4.433 0.042 1
1 1039 . 8 1 1 X 93 93 ASN C C 86 174.108 175.313 -1.205 1
1 1040 . 8 1 1 X 93 93 ASN CA C 86 53.347 53.408 -0.061 1
1 1041 . 8 1 1 X 93 93 ASN CB C 86 39.379 38.522 0.857 1
1 1043 . 8 1 1 X 93 93 ASN N N 86 113.372 113.865 -0.493 1
1 1045 . 8 1 1 X 94 94 GLY H H 87 7.535 8.254 -0.719 1
1 1046 . 8 1 1 X 94 94 GLY HA2 H 87 3.810 3.927 -0.117 1
1 1047 . 8 1 1 X 94 94 GLY HA3 H 87 3.810 3.933 -0.123 1
1 1048 . 8 1 1 X 94 94 GLY C C 87 174.481 173.941 0.540 1
1 1049 . 8 1 1 X 94 94 GLY CA C 87 47.230 45.334 1.896 1
1 1050 . 8 1 1 X 94 94 GLY N N 87 108.152 106.924 1.228 1
1 1051 . 8 1 1 X 95 95 LYS H H 88 8.037 7.842 0.195 1
1 1052 . 8 1 1 X 95 95 LYS HA H 88 4.654 4.727 -0.073 1
1 1061 . 8 1 1 X 95 95 LYS CA C 88 53.357 53.153 0.204 1
1 1062 . 8 1 1 X 95 95 LYS CB C 88 32.741 33.261 -0.520 1
1 1066 . 8 1 1 X 95 95 LYS N N 88 119.147 120.018 -0.871 1
1 1067 . 8 1 1 X 96 96 PRO HA H 89 4.275 4.568 -0.293 1
1 1074 . 8 1 1 X 96 96 PRO C C 89 176.696 176.871 -0.175 1
1 1075 . 8 1 1 X 96 96 PRO CA C 89 63.482 62.746 0.736 1
1 1076 . 8 1 1 X 96 96 PRO CB C 89 32.981 32.477 0.504 1
1 1079 . 8 1 1 X 97 97 GLY H H 90 8.336 8.283 0.053 1
1 1080 . 8 1 1 X 97 97 GLY HA2 H 90 4.074 3.884 0.190 1
1 1081 . 8 1 1 X 97 97 GLY HA3 H 90 3.615 3.989 -0.374 1
1 1082 . 8 1 1 X 97 97 GLY C C 90 173.388 173.346 0.042 1
1 1083 . 8 1 1 X 97 97 GLY CA C 90 43.347 44.110 -0.763 1
1 1084 . 8 1 1 X 97 97 GLY N N 90 110.343 107.452 2.891 1
1 1085 . 8 1 1 X 98 98 PHE H H 91 7.749 7.994 -0.245 1
1 1086 . 8 1 1 X 98 98 PHE HA H 91 4.527 4.679 -0.152 1
1 1094 . 8 1 1 X 98 98 PHE C C 91 177.021 176.049 0.972 1
1 1095 . 8 1 1 X 98 98 PHE CA C 91 59.184 58.423 0.761 1
1 1096 . 8 1 1 X 98 98 PHE CB C 91 40.005 39.437 0.568 1
1 1102 . 8 1 1 X 98 98 PHE N N 91 116.151 118.472 -2.321 1
1 1103 . 8 1 1 X 99 99 LYS H H 92 8.531 8.816 -0.285 1
1 1104 . 8 1 1 X 99 99 LYS HA H 92 4.178 4.430 -0.252 1
1 1113 . 8 1 1 X 99 99 LYS C C 92 176.542 176.219 0.323 1
1 1114 . 8 1 1 X 99 99 LYS CA C 92 57.292 56.233 1.059 1
1 1115 . 8 1 1 X 99 99 LYS CB C 92 32.875 33.232 -0.357 1
1 1119 . 8 1 1 X 99 99 LYS N N 92 123.602 120.590 3.012 1
1 1120 . 8 1 1 X 100 100 GLN H H 93 8.633 8.564 0.069 1
1 1121 . 8 1 1 X 100 100 GLN HA H 93 4.297 4.820 -0.523 1
1 1128 . 8 1 1 X 100 100 GLN C C 93 175.318 175.941 -0.623 1
1 1129 . 8 1 1 X 100 100 GLN CA C 93 56.479 55.070 1.409 1
1 1130 . 8 1 1 X 100 100 GLN CB C 93 29.751 30.284 -0.533 1
1 1133 . 8 1 1 X 100 100 GLN N N 93 125.089 120.757 4.332 1
1 12 . 9 1 1 X 10 10 LEU H H 3 8.121 8.523 -0.402 1
1 13 . 9 1 1 X 10 10 LEU HA H 3 4.240 5.541 -1.301 1
1 23 . 9 1 1 X 10 10 LEU C C 3 176.909 176.210 0.699 1
1 24 . 9 1 1 X 10 10 LEU CA C 3 54.748 53.564 1.184 1
1 25 . 9 1 1 X 10 10 LEU CB C 3 41.272 43.031 -1.759 1
1 29 . 9 1 1 X 10 10 LEU N N 3 123.688 122.810 0.878 1
1 30 . 9 1 1 X 11 11 LYS H H 4 7.677 9.096 -1.419 1
1 31 . 9 1 1 X 11 11 LYS HA H 4 4.404 4.598 -0.194 1
1 40 . 9 1 1 X 11 11 LYS C C 4 176.184 177.731 -1.547 1
1 41 . 9 1 1 X 11 11 LYS CA C 4 55.828 54.495 1.333 1
1 42 . 9 1 1 X 11 11 LYS CB C 4 33.482 34.650 -1.168 1
1 46 . 9 1 1 X 11 11 LYS N N 4 122.221 123.454 -1.233 1
1 47 . 9 1 1 X 12 12 ASN H H 5 8.538 8.568 -0.030 1
1 48 . 9 1 1 X 12 12 ASN HA H 5 4.685 4.688 -0.003 1
1 53 . 9 1 1 X 12 12 ASN C C 5 174.925 175.411 -0.486 1
1 54 . 9 1 1 X 12 12 ASN CA C 5 55.721 55.176 0.545 1
1 55 . 9 1 1 X 12 12 ASN CB C 5 40.409 39.888 0.521 1
1 57 . 9 1 1 X 12 12 ASN N N 5 116.610 120.340 -3.730 1
1 59 . 9 1 1 X 13 13 SER H H 6 8.144 7.767 0.377 1
1 60 . 9 1 1 X 13 13 SER HA H 6 4.819 4.813 0.006 1
1 63 . 9 1 1 X 13 13 SER C C 6 175.123 174.848 0.275 1
1 64 . 9 1 1 X 13 13 SER CA C 6 56.778 56.155 0.623 1
1 65 . 9 1 1 X 13 13 SER CB C 6 65.949 66.332 -0.383 1
1 66 . 9 1 1 X 13 13 SER N N 6 112.138 109.940 2.198 1
1 67 . 9 1 1 X 14 14 ILE H H 7 9.318 8.980 0.338 1
1 68 . 9 1 1 X 14 14 ILE HA H 7 3.966 4.239 -0.273 1
1 78 . 9 1 1 X 14 14 ILE C C 7 175.537 177.240 -1.703 1
1 79 . 9 1 1 X 14 14 ILE CA C 7 64.956 63.931 1.025 1
1 80 . 9 1 1 X 14 14 ILE CB C 7 37.062 38.050 -0.988 1
1 84 . 9 1 1 X 14 14 ILE N N 7 126.034 125.624 0.410 1
1 85 . 9 1 1 X 15 15 SER H H 8 7.504 7.978 -0.474 1
1 86 . 9 1 1 X 15 15 SER HA H 8 4.694 4.311 0.383 1
1 89 . 9 1 1 X 15 15 SER C C 8 174.278 175.414 -1.136 1
1 90 . 9 1 1 X 15 15 SER CA C 8 59.481 60.933 -1.452 1
1 91 . 9 1 1 X 15 15 SER CB C 8 63.241 62.709 0.532 1
1 92 . 9 1 1 X 15 15 SER N N 8 112.517 116.837 -4.320 1
1 93 . 9 1 1 X 16 16 ASP H H 9 7.783 7.694 0.089 1
1 94 . 9 1 1 X 16 16 ASP HA H 9 4.791 4.727 0.064 1
1 97 . 9 1 1 X 16 16 ASP C C 9 175.976 175.867 0.109 1
1 98 . 9 1 1 X 16 16 ASP CA C 9 55.243 53.495 1.748 1
1 99 . 9 1 1 X 16 16 ASP CB C 9 43.327 41.046 2.281 1
1 100 . 9 1 1 X 16 16 ASP N N 9 117.795 120.415 -2.620 1
1 101 . 9 1 1 X 17 17 TYR H H 10 8.279 7.871 0.408 1
1 102 . 9 1 1 X 17 17 TYR HA H 10 4.962 4.996 -0.034 1
1 109 . 9 1 1 X 17 17 TYR C C 10 177.535 176.139 1.396 1
1 110 . 9 1 1 X 17 17 TYR CA C 10 58.573 57.314 1.259 1
1 111 . 9 1 1 X 17 17 TYR CB C 10 41.015 39.117 1.898 1
1 116 . 9 1 1 X 17 17 TYR N N 10 120.484 119.214 1.270 1
1 117 . 9 1 1 X 18 18 THR H H 11 8.796 8.805 -0.009 1
1 118 . 9 1 1 X 18 18 THR HA H 11 5.040 5.016 0.024 1
1 123 . 9 1 1 X 18 18 THR C C 11 176.099 175.992 0.107 1
1 124 . 9 1 1 X 18 18 THR CA C 11 60.775 60.900 -0.125 1
1 125 . 9 1 1 X 18 18 THR CB C 11 71.041 70.785 0.256 1
1 127 . 9 1 1 X 18 18 THR N N 11 112.143 116.903 -4.760 1
1 128 . 9 1 1 X 19 19 GLU H H 12 9.173 8.488 0.685 1
1 129 . 9 1 1 X 19 19 GLU HA H 12 2.757 3.430 -0.673 1
1 134 . 9 1 1 X 19 19 GLU C C 12 178.378 178.519 -0.141 1
1 135 . 9 1 1 X 19 19 GLU CA C 12 60.906 59.064 1.842 1
1 136 . 9 1 1 X 19 19 GLU CB C 12 29.442 28.873 0.569 1
1 138 . 9 1 1 X 19 19 GLU N N 12 122.386 121.482 0.904 1
1 139 . 9 1 1 X 20 20 ALA H H 13 8.356 8.188 0.168 1
1 140 . 9 1 1 X 20 20 ALA HA H 13 4.069 4.115 -0.046 1
1 144 . 9 1 1 X 20 20 ALA C C 13 181.816 179.434 2.382 1
1 145 . 9 1 1 X 20 20 ALA CA C 13 55.388 54.974 0.414 1
1 146 . 9 1 1 X 20 20 ALA CB C 13 18.308 18.522 -0.214 1
1 147 . 9 1 1 X 20 20 ALA N N 13 118.695 122.132 -3.437 1
1 148 . 9 1 1 X 21 21 GLU H H 14 8.013 8.181 -0.168 1
1 149 . 9 1 1 X 21 21 GLU HA H 14 4.131 4.113 0.018 1
1 154 . 9 1 1 X 21 21 GLU C C 14 179.649 179.219 0.430 1
1 155 . 9 1 1 X 21 21 GLU CA C 14 58.916 59.348 -0.432 1
1 156 . 9 1 1 X 21 21 GLU CB C 14 31.632 29.775 1.857 1
1 158 . 9 1 1 X 21 21 GLU N N 14 118.978 119.570 -0.592 1
1 159 . 9 1 1 X 22 22 PHE H H 15 8.635 8.392 0.243 1
1 160 . 9 1 1 X 22 22 PHE HA H 15 4.049 4.066 -0.017 1
1 167 . 9 1 1 X 22 22 PHE C C 15 177.402 177.373 0.029 1
1 168 . 9 1 1 X 22 22 PHE CA C 15 62.183 61.243 0.940 1
1 169 . 9 1 1 X 22 22 PHE CB C 15 40.545 38.824 1.721 1
1 174 . 9 1 1 X 22 22 PHE N N 15 124.639 121.003 3.636 1
1 175 . 9 1 1 X 23 23 VAL H H 16 8.647 8.450 0.197 1
1 176 . 9 1 1 X 23 23 VAL HA H 16 3.416 3.697 -0.281 1
1 184 . 9 1 1 X 23 23 VAL C C 16 177.798 177.838 -0.040 1
1 185 . 9 1 1 X 23 23 VAL CA C 16 67.917 66.481 1.436 1
1 186 . 9 1 1 X 23 23 VAL CB C 16 31.579 31.184 0.395 1
1 189 . 9 1 1 X 23 23 VAL N N 16 119.817 118.394 1.423 1
1 190 . 9 1 1 X 24 24 GLN H H 17 7.569 8.338 -0.769 1
1 191 . 9 1 1 X 24 24 GLN HA H 17 3.943 3.983 -0.040 1
1 198 . 9 1 1 X 24 24 GLN C C 17 178.313 178.073 0.240 1
1 199 . 9 1 1 X 24 24 GLN CA C 17 59.289 58.794 0.495 1
1 200 . 9 1 1 X 24 24 GLN CB C 17 27.814 28.146 -0.332 1
1 203 . 9 1 1 X 24 24 GLN N N 17 117.658 121.018 -3.360 1
1 205 . 9 1 1 X 25 25 LEU H H 18 7.512 7.795 -0.283 1
1 206 . 9 1 1 X 25 25 LEU HA H 18 4.136 4.026 0.110 1
1 216 . 9 1 1 X 25 25 LEU C C 18 178.440 178.366 0.074 1
1 217 . 9 1 1 X 25 25 LEU CA C 18 58.651 58.003 0.648 1
1 218 . 9 1 1 X 25 25 LEU CB C 18 40.626 41.398 -0.772 1
1 222 . 9 1 1 X 25 25 LEU N N 18 122.037 121.198 0.839 1
1 223 . 9 1 1 X 26 26 LEU H H 19 7.761 8.221 -0.460 1
1 224 . 9 1 1 X 26 26 LEU HA H 19 3.748 3.572 0.176 1
1 234 . 9 1 1 X 26 26 LEU C C 19 180.080 179.153 0.927 1
1 235 . 9 1 1 X 26 26 LEU CA C 19 58.041 57.478 0.563 1
1 236 . 9 1 1 X 26 26 LEU CB C 19 41.009 40.657 0.352 1
1 240 . 9 1 1 X 26 26 LEU N N 19 118.502 118.188 0.314 1
1 241 . 9 1 1 X 27 27 LYS H H 20 8.357 8.051 0.306 1
1 242 . 9 1 1 X 27 27 LYS HA H 20 4.019 3.933 0.086 1
1 251 . 9 1 1 X 27 27 LYS C C 20 179.559 179.347 0.212 1
1 252 . 9 1 1 X 27 27 LYS CA C 20 59.648 60.014 -0.366 1
1 253 . 9 1 1 X 27 27 LYS CB C 20 31.995 31.919 0.076 1
1 257 . 9 1 1 X 27 27 LYS N N 20 120.427 118.273 2.154 1
1 258 . 9 1 1 X 28 28 GLU H H 21 8.123 8.035 0.088 1
1 259 . 9 1 1 X 28 28 GLU HA H 21 4.082 4.044 0.038 1
1 264 . 9 1 1 X 28 28 GLU C C 21 179.063 178.841 0.222 1
1 265 . 9 1 1 X 28 28 GLU CA C 21 59.406 59.093 0.313 1
1 266 . 9 1 1 X 28 28 GLU CB C 21 29.146 28.853 0.293 1
1 268 . 9 1 1 X 28 28 GLU N N 21 122.374 118.613 3.761 1
1 269 . 9 1 1 X 29 29 ILE H H 22 8.049 7.880 0.169 1
1 270 . 9 1 1 X 29 29 ILE HA H 22 3.343 3.572 -0.229 1
1 280 . 9 1 1 X 29 29 ILE C C 22 177.151 177.622 -0.471 1
1 281 . 9 1 1 X 29 29 ILE CA C 22 66.435 65.167 1.268 1
1 282 . 9 1 1 X 29 29 ILE CB C 22 37.954 37.429 0.525 1
1 286 . 9 1 1 X 29 29 ILE N N 22 120.195 121.166 -0.971 1
1 287 . 9 1 1 X 30 30 GLU H H 23 7.820 8.195 -0.375 1
1 288 . 9 1 1 X 30 30 GLU HA H 23 3.983 3.797 0.186 1
1 293 . 9 1 1 X 30 30 GLU C C 23 178.990 178.780 0.210 1
1 294 . 9 1 1 X 30 30 GLU CA C 23 59.460 59.926 -0.466 1
1 295 . 9 1 1 X 30 30 GLU CB C 23 30.012 29.044 0.968 1
1 297 . 9 1 1 X 30 30 GLU N N 23 118.917 120.713 -1.796 1
1 298 . 9 1 1 X 31 31 LYS H H 24 7.678 7.950 -0.272 1
1 299 . 9 1 1 X 31 31 LYS HA H 24 4.059 3.950 0.109 1
1 308 . 9 1 1 X 31 31 LYS C C 24 179.231 178.938 0.293 1
1 309 . 9 1 1 X 31 31 LYS CA C 24 59.152 59.801 -0.649 1
1 310 . 9 1 1 X 31 31 LYS CB C 24 32.712 32.483 0.229 1
1 314 . 9 1 1 X 31 31 LYS N N 24 118.807 119.031 -0.224 1
1 315 . 9 1 1 X 32 32 GLU H H 25 8.182 7.917 0.265 1
1 316 . 9 1 1 X 32 32 GLU HA H 25 4.309 4.086 0.223 1
1 321 . 9 1 1 X 32 32 GLU C C 25 177.897 179.153 -1.256 1
1 322 . 9 1 1 X 32 32 GLU CA C 25 57.449 58.889 -1.440 1
1 323 . 9 1 1 X 32 32 GLU CB C 25 29.522 28.894 0.628 1
1 325 . 9 1 1 X 32 32 GLU N N 25 118.578 117.459 1.119 1
1 326 . 9 1 1 X 33 33 ASN H H 26 8.343 8.464 -0.121 1
1 327 . 9 1 1 X 33 33 ASN HA H 26 4.608 4.467 0.141 1
1 330 . 9 1 1 X 33 33 ASN C C 26 176.524 177.285 -0.761 1
1 331 . 9 1 1 X 33 33 ASN CA C 26 55.463 56.317 -0.854 1
1 332 . 9 1 1 X 33 33 ASN CB C 26 39.074 38.858 0.216 1
1 333 . 9 1 1 X 33 33 ASN N N 26 118.483 119.411 -0.928 1
1 334 . 9 1 1 X 34 34 VAL H H 27 7.434 7.806 -0.372 1
1 335 . 9 1 1 X 34 34 VAL HA H 27 4.182 3.881 0.301 1
1 343 . 9 1 1 X 34 34 VAL C C 27 176.315 178.205 -1.890 1
1 344 . 9 1 1 X 34 34 VAL CA C 27 62.829 63.358 -0.529 1
1 345 . 9 1 1 X 34 34 VAL CB C 27 32.178 31.932 0.246 1
1 348 . 9 1 1 X 34 34 VAL N N 27 114.036 116.852 -2.816 1
1 349 . 9 1 1 X 35 35 ALA H H 28 7.648 7.584 0.064 1
1 350 . 9 1 1 X 35 35 ALA HA H 28 4.346 4.139 0.207 1
1 354 . 9 1 1 X 35 35 ALA C C 28 177.126 176.951 0.175 1
1 355 . 9 1 1 X 35 35 ALA CA C 28 52.712 53.404 -0.692 1
1 356 . 9 1 1 X 35 35 ALA CB C 28 19.915 19.445 0.470 1
1 357 . 9 1 1 X 35 35 ALA N N 28 124.066 123.493 0.573 1
1 358 . 9 1 1 X 36 36 ALA H H 29 8.337 8.158 0.179 1
1 359 . 9 1 1 X 36 36 ALA HA H 29 4.260 4.004 0.256 1
1 363 . 9 1 1 X 36 36 ALA C C 29 177.999 176.522 1.477 1
1 364 . 9 1 1 X 36 36 ALA CA C 29 53.660 52.678 0.982 1
1 365 . 9 1 1 X 36 36 ALA CB C 29 19.175 17.822 1.353 1
1 366 . 9 1 1 X 36 36 ALA N N 29 121.695 119.448 2.247 1
1 367 . 9 1 1 X 37 37 THR H H 30 8.093 7.773 0.320 1
1 368 . 9 1 1 X 37 37 THR HA H 30 4.533 4.925 -0.392 1
1 373 . 9 1 1 X 37 37 THR C C 30 174.715 173.751 0.964 1
1 374 . 9 1 1 X 37 37 THR CA C 30 60.860 59.938 0.922 1
1 375 . 9 1 1 X 37 37 THR CB C 30 70.424 71.772 -1.348 1
1 377 . 9 1 1 X 37 37 THR N N 30 110.112 108.858 1.254 1
1 378 . 9 1 1 X 38 38 ASP H H 31 8.488 8.537 -0.049 1
1 379 . 9 1 1 X 38 38 ASP HA H 31 4.685 5.015 -0.330 1
1 382 . 9 1 1 X 38 38 ASP C C 31 175.896 177.002 -1.106 1
1 383 . 9 1 1 X 38 38 ASP CA C 31 54.704 53.185 1.519 1
1 384 . 9 1 1 X 38 38 ASP CB C 31 41.389 42.106 -0.717 1
1 385 . 9 1 1 X 38 38 ASP N N 31 121.899 120.047 1.852 1
1 386 . 9 1 1 X 39 39 ASP H H 32 8.368 8.415 -0.047 1
1 387 . 9 1 1 X 39 39 ASP HA H 32 4.459 4.535 -0.076 1
1 390 . 9 1 1 X 39 39 ASP C C 32 177.499 178.003 -0.504 1
1 391 . 9 1 1 X 39 39 ASP CA C 32 56.443 56.708 -0.265 1
1 392 . 9 1 1 X 39 39 ASP CB C 32 40.737 40.904 -0.167 1
1 393 . 9 1 1 X 39 39 ASP N N 32 118.770 120.376 -1.606 1
1 394 . 9 1 1 X 40 40 VAL H H 33 7.963 7.969 -0.006 1
1 395 . 9 1 1 X 40 40 VAL HA H 33 3.800 3.891 -0.091 1
1 403 . 9 1 1 X 40 40 VAL C C 33 177.362 177.428 -0.066 1
1 404 . 9 1 1 X 40 40 VAL CA C 33 64.970 64.666 0.304 1
1 405 . 9 1 1 X 40 40 VAL CB C 33 32.256 31.438 0.818 1
1 408 . 9 1 1 X 40 40 VAL N N 33 119.409 118.584 0.825 1
1 409 . 9 1 1 X 41 41 LEU H H 34 8.508 7.817 0.691 1
1 410 . 9 1 1 X 41 41 LEU HA H 34 3.857 4.241 -0.384 1
1 420 . 9 1 1 X 41 41 LEU C C 34 177.633 178.031 -0.398 1
1 421 . 9 1 1 X 41 41 LEU CA C 34 58.428 58.582 -0.154 1
1 422 . 9 1 1 X 41 41 LEU CB C 34 41.755 41.220 0.535 1
1 426 . 9 1 1 X 41 41 LEU N N 34 122.150 122.537 -0.387 1
1 427 . 9 1 1 X 42 42 ASP H H 35 8.236 8.257 -0.021 1
1 428 . 9 1 1 X 42 42 ASP HA H 35 4.370 4.299 0.071 1
1 431 . 9 1 1 X 42 42 ASP C C 35 179.155 178.603 0.552 1
1 432 . 9 1 1 X 42 42 ASP CA C 35 57.925 57.657 0.268 1
1 433 . 9 1 1 X 42 42 ASP CB C 35 40.417 41.462 -1.045 1
1 434 . 9 1 1 X 42 42 ASP N N 35 116.374 118.935 -2.561 1
1 435 . 9 1 1 X 43 43 VAL H H 36 7.320 7.650 -0.330 1
1 436 . 9 1 1 X 43 43 VAL HA H 36 3.782 3.638 0.144 1
1 444 . 9 1 1 X 43 43 VAL C C 36 179.309 178.327 0.982 1
1 445 . 9 1 1 X 43 43 VAL CA C 36 66.080 66.736 -0.656 1
1 446 . 9 1 1 X 43 43 VAL CB C 36 32.245 31.579 0.666 1
1 449 . 9 1 1 X 43 43 VAL N N 36 119.754 118.981 0.773 1
1 450 . 9 1 1 X 44 44 LEU H H 37 8.122 8.643 -0.521 1
1 451 . 9 1 1 X 44 44 LEU HA H 37 4.008 4.035 -0.027 1
1 461 . 9 1 1 X 44 44 LEU C C 37 179.518 179.284 0.234 1
1 462 . 9 1 1 X 44 44 LEU CA C 37 58.048 57.849 0.199 1
1 463 . 9 1 1 X 44 44 LEU CB C 37 42.374 41.662 0.712 1
1 467 . 9 1 1 X 44 44 LEU N N 37 120.608 118.928 1.680 1
1 468 . 9 1 1 X 45 45 LEU H H 38 8.898 8.352 0.546 1
1 469 . 9 1 1 X 45 45 LEU HA H 38 4.030 3.880 0.150 1
1 479 . 9 1 1 X 45 45 LEU C C 38 179.166 179.595 -0.429 1
1 480 . 9 1 1 X 45 45 LEU CA C 38 58.184 58.250 -0.066 1
1 481 . 9 1 1 X 45 45 LEU CB C 38 41.506 41.676 -0.170 1
1 485 . 9 1 1 X 45 45 LEU N N 38 119.199 118.944 0.255 1
1 486 . 9 1 1 X 46 46 GLU H H 39 7.964 8.499 -0.535 1
1 487 . 9 1 1 X 46 46 GLU HA H 39 4.066 4.125 -0.059 1
1 492 . 9 1 1 X 46 46 GLU C C 39 178.995 178.821 0.174 1
1 493 . 9 1 1 X 46 46 GLU CA C 39 59.769 59.289 0.480 1
1 494 . 9 1 1 X 46 46 GLU CB C 39 29.577 29.062 0.515 1
1 496 . 9 1 1 X 46 46 GLU N N 39 119.334 118.091 1.243 1
1 497 . 9 1 1 X 47 47 HIS H H 40 8.009 8.742 -0.733 1
1 498 . 9 1 1 X 47 47 HIS HA H 40 4.416 4.332 0.084 1
1 503 . 9 1 1 X 47 47 HIS C C 40 176.115 177.105 -0.990 1
1 504 . 9 1 1 X 47 47 HIS CA C 40 60.151 59.129 1.022 1
1 505 . 9 1 1 X 47 47 HIS CB C 40 30.389 29.596 0.793 1
1 508 . 9 1 1 X 47 47 HIS N N 40 119.610 120.048 -0.438 1
1 509 . 9 1 1 X 48 48 PHE H H 41 8.711 8.444 0.267 1
1 510 . 9 1 1 X 48 48 PHE HA H 41 3.808 4.066 -0.258 1
1 518 . 9 1 1 X 48 48 PHE C C 41 178.023 177.310 0.713 1
1 519 . 9 1 1 X 48 48 PHE CA C 41 62.654 61.401 1.253 1
1 520 . 9 1 1 X 48 48 PHE CB C 41 39.408 39.194 0.214 1
1 526 . 9 1 1 X 48 48 PHE N N 41 118.110 120.258 -2.148 1
1 527 . 9 1 1 X 49 49 VAL H H 42 8.439 8.007 0.432 1
1 528 . 9 1 1 X 49 49 VAL HA H 42 3.359 3.466 -0.107 1
1 536 . 9 1 1 X 49 49 VAL C C 42 178.340 177.494 0.846 1
1 537 . 9 1 1 X 49 49 VAL CA C 42 67.276 64.317 2.959 1
1 538 . 9 1 1 X 49 49 VAL CB C 42 32.235 31.317 0.918 1
1 541 . 9 1 1 X 49 49 VAL N N 42 121.301 118.632 2.669 1
1 542 . 9 1 1 X 50 50 LYS H H 43 8.091 8.621 -0.530 1
1 543 . 9 1 1 X 50 50 LYS HA H 43 3.973 4.025 -0.052 1
1 552 . 9 1 1 X 50 50 LYS C C 43 178.985 178.282 0.703 1
1 553 . 9 1 1 X 50 50 LYS CA C 43 59.580 58.876 0.704 1
1 554 . 9 1 1 X 50 50 LYS CB C 43 32.784 31.680 1.104 1
1 558 . 9 1 1 X 50 50 LYS N N 43 120.887 119.821 1.066 1
1 559 . 9 1 1 X 51 51 ILE H H 44 8.347 7.279 1.068 1
1 560 . 9 1 1 X 51 51 ILE HA H 44 4.159 3.904 0.255 1
1 570 . 9 1 1 X 51 51 ILE C C 44 178.121 177.882 0.239 1
1 571 . 9 1 1 X 51 51 ILE CA C 44 62.328 64.050 -1.722 1
1 572 . 9 1 1 X 51 51 ILE CB C 44 37.576 37.744 -0.168 1
1 576 . 9 1 1 X 51 51 ILE N N 44 111.354 116.813 -5.459 1
1 577 . 9 1 1 X 52 52 THR H H 45 7.588 7.577 0.011 1
1 578 . 9 1 1 X 52 52 THR HA H 45 3.683 4.231 -0.548 1
1 583 . 9 1 1 X 52 52 THR C C 45 176.285 174.260 2.025 1
1 584 . 9 1 1 X 52 52 THR CA C 45 65.803 65.005 0.798 1
1 585 . 9 1 1 X 52 52 THR CB C 45 69.689 69.332 0.357 1
1 587 . 9 1 1 X 52 52 THR N N 45 109.646 116.855 -7.209 1
1 588 . 9 1 1 X 53 53 GLU H H 46 7.366 8.018 -0.652 1
1 589 . 9 1 1 X 53 53 GLU HA H 46 3.836 4.214 -0.378 1
1 594 . 9 1 1 X 53 53 GLU C C 46 173.418 174.829 -1.411 1
1 595 . 9 1 1 X 53 53 GLU CA C 46 57.709 57.521 0.188 1
1 596 . 9 1 1 X 53 53 GLU CB C 46 29.067 27.333 1.734 1
1 598 . 9 1 1 X 53 53 GLU N N 46 112.606 119.510 -6.904 1
1 599 . 9 1 1 X 54 54 HIS H H 47 7.127 7.462 -0.335 1
1 600 . 9 1 1 X 54 54 HIS HA H 47 3.070 3.093 -0.023 1
1 605 . 9 1 1 X 54 54 HIS CA C 47 55.826 54.818 1.008 1
1 606 . 9 1 1 X 54 54 HIS CB C 47 32.124 30.870 1.254 1
1 609 . 9 1 1 X 54 54 HIS N N 47 119.651 119.844 -0.193 1
1 610 . 9 1 1 X 55 55 PRO HA H 48 4.143 4.386 -0.243 1
1 617 . 9 1 1 X 55 55 PRO CA C 48 64.843 64.437 0.406 1
1 618 . 9 1 1 X 55 55 PRO CB C 48 32.350 31.581 0.769 1
1 621 . 9 1 1 X 56 56 ASP H H 49 10.605 7.615 2.990 1
1 622 . 9 1 1 X 56 56 ASP HA H 49 4.712 5.067 -0.355 1
1 625 . 9 1 1 X 56 56 ASP C C 49 178.187 177.323 0.864 1
1 626 . 9 1 1 X 56 56 ASP CA C 49 54.989 53.854 1.135 1
1 627 . 9 1 1 X 56 56 ASP CB C 49 40.657 41.951 -1.294 1
1 628 . 9 1 1 X 56 56 ASP N N 49 121.022 117.966 3.056 1
1 629 . 9 1 1 X 57 57 GLY H H 50 8.011 8.234 -0.223 1
1 630 . 9 1 1 X 57 57 GLY HA2 H 50 4.122 3.829 0.293 1
1 631 . 9 1 1 X 57 57 GLY HA3 H 50 3.701 3.904 -0.203 1
1 632 . 9 1 1 X 57 57 GLY C C 50 175.337 176.057 -0.720 1
1 633 . 9 1 1 X 57 57 GLY CA C 50 47.435 47.485 -0.050 1
1 634 . 9 1 1 X 57 57 GLY N N 50 108.190 109.353 -1.163 1
1 635 . 9 1 1 X 58 58 THR H H 51 9.047 8.247 0.800 1
1 636 . 9 1 1 X 58 58 THR HA H 51 3.730 4.230 -0.500 1
1 641 . 9 1 1 X 58 58 THR C C 51 176.082 176.176 -0.094 1
1 642 . 9 1 1 X 58 58 THR CA C 51 64.795 65.384 -0.589 1
1 643 . 9 1 1 X 58 58 THR CB C 51 68.398 68.833 -0.435 1
1 645 . 9 1 1 X 58 58 THR N N 51 114.996 117.050 -2.054 1
1 646 . 9 1 1 X 59 59 ALA H H 52 8.142 8.261 -0.119 1
1 647 . 9 1 1 X 59 59 ALA HA H 52 4.205 4.272 -0.067 1
1 651 . 9 1 1 X 59 59 ALA C C 52 179.373 180.102 -0.729 1
1 652 . 9 1 1 X 59 59 ALA CA C 52 55.625 55.239 0.386 1
1 653 . 9 1 1 X 59 59 ALA CB C 52 18.416 18.137 0.279 1
1 654 . 9 1 1 X 59 59 ALA N N 52 125.565 123.512 2.053 1
1 655 . 9 1 1 X 60 60 LEU H H 53 7.399 8.362 -0.963 1
1 656 . 9 1 1 X 60 60 LEU HA H 53 3.835 3.967 -0.132 1
1 666 . 9 1 1 X 60 60 LEU C C 53 178.601 179.149 -0.548 1
1 667 . 9 1 1 X 60 60 LEU CA C 53 58.031 58.161 -0.130 1
1 668 . 9 1 1 X 60 60 LEU CB C 53 43.487 41.873 1.614 1
1 672 . 9 1 1 X 60 60 LEU N N 53 114.763 118.179 -3.416 1
1 673 . 9 1 1 X 61 61 ILE H H 54 6.855 7.556 -0.701 1
1 674 . 9 1 1 X 61 61 ILE HA H 54 3.518 3.413 0.105 1
1 684 . 9 1 1 X 61 61 ILE C C 54 178.595 177.668 0.927 1
1 685 . 9 1 1 X 61 61 ILE CA C 54 62.989 64.962 -1.973 1
1 686 . 9 1 1 X 61 61 ILE CB C 54 38.424 37.478 0.946 1
1 690 . 9 1 1 X 61 61 ILE N N 54 114.394 119.536 -5.142 1
1 691 . 9 1 1 X 62 62 TYR H H 55 7.489 7.840 -0.351 1
1 692 . 9 1 1 X 62 62 TYR HA H 55 4.243 4.272 -0.029 1
1 699 . 9 1 1 X 62 62 TYR C C 55 178.634 178.860 -0.226 1
1 700 . 9 1 1 X 62 62 TYR CA C 55 61.518 60.592 0.926 1
1 701 . 9 1 1 X 62 62 TYR CB C 55 37.566 37.762 -0.196 1
1 706 . 9 1 1 X 62 62 TYR N N 55 117.898 119.719 -1.821 1
1 707 . 9 1 1 X 63 63 GLU H H 56 8.659 8.947 -0.288 1
1 708 . 9 1 1 X 63 63 GLU HA H 56 4.441 4.118 0.323 1
1 713 . 9 1 1 X 63 63 GLU C C 56 177.785 178.826 -1.041 1
1 714 . 9 1 1 X 63 63 GLU CA C 56 57.658 59.419 -1.761 1
1 715 . 9 1 1 X 63 63 GLU CB C 56 29.034 29.113 -0.079 1
1 717 . 9 1 1 X 63 63 GLU N N 56 119.392 117.692 1.700 1
1 718 . 9 1 1 X 64 64 ALA H H 57 7.164 8.142 -0.978 1
1 719 . 9 1 1 X 64 64 ALA HA H 57 4.021 4.103 -0.082 1
1 723 . 9 1 1 X 64 64 ALA C C 57 180.327 180.111 0.216 1
1 724 . 9 1 1 X 64 64 ALA CA C 57 55.759 55.000 0.759 1
1 725 . 9 1 1 X 64 64 ALA CB C 57 18.615 17.819 0.796 1
1 726 . 9 1 1 X 64 64 ALA N N 57 121.778 122.119 -0.341 1
1 727 . 9 1 1 X 65 65 ALA H H 58 8.076 7.933 0.143 1
1 728 . 9 1 1 X 65 65 ALA HA H 58 4.137 4.054 0.083 1
1 732 . 9 1 1 X 65 65 ALA C C 58 180.248 179.129 1.119 1
1 733 . 9 1 1 X 65 65 ALA CA C 58 55.104 55.031 0.073 1
1 734 . 9 1 1 X 65 65 ALA CB C 58 18.071 18.569 -0.498 1
1 735 . 9 1 1 X 65 65 ALA N N 58 120.307 119.472 0.835 1
1 736 . 9 1 1 X 66 66 ALA H H 59 7.893 7.883 0.010 1
1 737 . 9 1 1 X 66 66 ALA HA H 59 4.170 4.057 0.113 1
1 741 . 9 1 1 X 66 66 ALA C C 59 180.838 179.803 1.035 1
1 742 . 9 1 1 X 66 66 ALA CA C 59 54.800 55.065 -0.265 1
1 743 . 9 1 1 X 66 66 ALA CB C 59 18.184 18.015 0.169 1
1 744 . 9 1 1 X 66 66 ALA N N 59 122.126 120.575 1.551 1
1 745 . 9 1 1 X 67 67 ARG H H 60 8.139 8.632 -0.493 1
1 746 . 9 1 1 X 67 67 ARG HA H 60 4.065 3.963 0.102 1
1 753 . 9 1 1 X 67 67 ARG C C 60 178.779 178.546 0.233 1
1 754 . 9 1 1 X 67 67 ARG CA C 60 59.282 59.757 -0.475 1
1 755 . 9 1 1 X 67 67 ARG CB C 60 30.863 29.708 1.155 1
1 758 . 9 1 1 X 67 67 ARG N N 60 118.948 118.131 0.817 1
1 759 . 9 1 1 X 68 68 ALA H H 61 7.891 8.115 -0.224 1
1 760 . 9 1 1 X 68 68 ALA HA H 61 4.141 4.168 -0.027 1
1 764 . 9 1 1 X 68 68 ALA C C 61 179.329 179.836 -0.507 1
1 765 . 9 1 1 X 68 68 ALA CA C 61 54.340 54.928 -0.588 1
1 766 . 9 1 1 X 68 68 ALA CB C 61 18.528 18.326 0.202 1
1 767 . 9 1 1 X 68 68 ALA N N 61 121.473 122.345 -0.872 1
1 768 . 9 1 1 X 69 69 ALA H H 62 7.663 7.886 -0.223 1
1 769 . 9 1 1 X 69 69 ALA HA H 62 4.133 4.062 0.071 1
1 773 . 9 1 1 X 69 69 ALA C C 62 178.591 177.958 0.633 1
1 774 . 9 1 1 X 69 69 ALA CA C 62 53.863 55.022 -1.159 1
1 775 . 9 1 1 X 69 69 ALA CB C 62 18.438 19.030 -0.592 1
1 776 . 9 1 1 X 69 69 ALA N N 62 118.937 118.993 -0.056 1
1 777 . 9 1 1 X 70 70 ALA H H 63 7.488 7.480 0.008 1
1 778 . 9 1 1 X 70 70 ALA HA H 63 4.280 4.493 -0.213 1
1 782 . 9 1 1 X 70 70 ALA C C 63 177.318 175.463 1.855 1
1 783 . 9 1 1 X 70 70 ALA CA C 63 52.981 50.590 2.391 1
1 784 . 9 1 1 X 70 70 ALA CB C 63 19.324 19.040 0.284 1
1 785 . 9 1 1 X 70 70 ALA N N 63 118.642 118.451 0.191 1
1 786 . 9 1 1 X 71 71 ASN H H 64 7.631 8.404 -0.773 1
1 787 . 9 1 1 X 71 71 ASN HA H 64 5.077 5.193 -0.116 1
1 792 . 9 1 1 X 71 71 ASN CA C 64 50.877 51.379 -0.502 1
1 793 . 9 1 1 X 71 71 ASN CB C 64 39.243 38.211 1.032 1
1 795 . 9 1 1 X 71 71 ASN N N 64 116.008 119.501 -3.493 1
1 797 . 9 1 1 X 72 72 PRO HA H 65 4.468 4.480 -0.012 1
1 804 . 9 1 1 X 72 72 PRO CA C 65 64.454 64.578 -0.124 1
1 805 . 9 1 1 X 72 72 PRO CB C 65 32.007 32.165 -0.158 1
1 808 . 9 1 1 X 73 73 GLY H H 66 8.608 8.073 0.535 1
1 809 . 9 1 1 X 73 73 GLY HA2 H 66 3.978 3.987 -0.009 1
1 810 . 9 1 1 X 73 73 GLY HA3 H 66 3.978 3.988 -0.010 1
1 811 . 9 1 1 X 73 73 GLY C C 66 175.054 174.752 0.302 1
1 812 . 9 1 1 X 73 73 GLY CA C 66 45.521 45.698 -0.177 1
1 813 . 9 1 1 X 73 73 GLY N N 66 109.435 105.551 3.884 1
1 814 . 9 1 1 X 74 74 GLY H H 67 8.085 7.700 0.385 1
1 815 . 9 1 1 X 74 74 GLY HA2 H 67 4.132 4.000 0.132 1
1 816 . 9 1 1 X 74 74 GLY HA3 H 67 3.896 4.002 -0.106 1
1 817 . 9 1 1 X 74 74 GLY C C 67 174.008 174.488 -0.480 1
1 818 . 9 1 1 X 74 74 GLY CA C 67 45.450 45.338 0.112 1
1 819 . 9 1 1 X 74 74 GLY N N 67 108.472 106.265 2.207 1
1 820 . 9 1 1 X 75 75 ASP H H 68 8.307 8.298 0.009 1
1 821 . 9 1 1 X 75 75 ASP HA H 68 4.646 4.515 0.131 1
1 824 . 9 1 1 X 75 75 ASP C C 68 176.933 176.546 0.387 1
1 825 . 9 1 1 X 75 75 ASP CA C 68 54.226 56.818 -2.592 1
1 826 . 9 1 1 X 75 75 ASP CB C 68 41.486 41.344 0.142 1
1 827 . 9 1 1 X 75 75 ASP N N 68 119.941 121.325 -1.384 1
1 828 . 9 1 1 X 76 76 GLY H H 69 8.502 7.850 0.652 1
1 829 . 9 1 1 X 76 76 GLY HA2 H 69 3.966 4.018 -0.052 1
1 830 . 9 1 1 X 76 76 GLY HA3 H 69 3.951 4.020 -0.069 1
1 831 . 9 1 1 X 76 76 GLY C C 69 174.771 175.069 -0.298 1
1 832 . 9 1 1 X 76 76 GLY CA C 69 45.744 44.707 1.037 1
1 833 . 9 1 1 X 76 76 GLY N N 69 109.061 106.558 2.503 1
1 834 . 9 1 1 X 77 77 GLY H H 70 8.367 8.744 -0.377 1
1 835 . 9 1 1 X 77 77 GLY HA2 H 70 4.092 3.977 0.115 1
1 836 . 9 1 1 X 77 77 GLY HA3 H 70 3.920 3.980 -0.060 1
1 837 . 9 1 1 X 77 77 GLY C C 70 174.782 173.815 0.967 1
1 838 . 9 1 1 X 77 77 GLY CA C 70 45.327 46.672 -1.345 1
1 839 . 9 1 1 X 77 77 GLY N N 70 108.393 112.206 -3.813 1
1 840 . 9 1 1 X 78 78 GLY H H 71 8.263 7.744 0.519 1
1 841 . 9 1 1 X 78 78 GLY HA2 H 71 4.205 4.154 0.051 1
1 842 . 9 1 1 X 78 78 GLY HA3 H 71 4.092 4.169 -0.077 1
1 843 . 9 1 1 X 78 78 GLY CA C 71 45.581 45.219 0.362 1
1 844 . 9 1 1 X 78 78 GLY N N 71 108.388 106.575 1.813 1
1 845 . 9 1 1 X 79 79 PRO HA H 72 4.199 4.198 0.001 1
1 852 . 9 1 1 X 79 79 PRO C C 72 178.000 177.625 0.375 1
1 853 . 9 1 1 X 79 79 PRO CA C 72 65.568 64.765 0.803 1
1 854 . 9 1 1 X 79 79 PRO CB C 72 32.864 31.719 1.145 1
1 857 . 9 1 1 X 80 80 GLU H H 73 9.283 8.384 0.899 1
1 858 . 9 1 1 X 80 80 GLU HA H 73 3.833 4.423 -0.590 1
1 863 . 9 1 1 X 80 80 GLU C C 73 179.587 177.589 1.998 1
1 864 . 9 1 1 X 80 80 GLU CA C 73 61.125 56.761 4.364 1
1 865 . 9 1 1 X 80 80 GLU CB C 73 28.576 29.754 -1.178 1
1 867 . 9 1 1 X 80 80 GLU N N 73 117.078 116.753 0.325 1
1 868 . 9 1 1 X 81 81 GLY H H 74 7.926 8.058 -0.132 1
1 869 . 9 1 1 X 81 81 GLY HA2 H 74 3.964 3.833 0.131 1
1 870 . 9 1 1 X 81 81 GLY HA3 H 74 3.914 3.849 0.065 1
1 871 . 9 1 1 X 81 81 GLY C C 74 176.538 176.158 0.380 1
1 872 . 9 1 1 X 81 81 GLY CA C 74 47.084 46.608 0.476 1
1 873 . 9 1 1 X 81 81 GLY N N 74 108.577 108.646 -0.069 1
1 874 . 9 1 1 X 82 82 ILE H H 75 7.593 8.265 -0.672 1
1 875 . 9 1 1 X 82 82 ILE HA H 75 3.873 3.853 0.020 1
1 885 . 9 1 1 X 82 82 ILE C C 75 178.147 178.133 0.014 1
1 886 . 9 1 1 X 82 82 ILE CA C 75 65.342 64.841 0.501 1
1 887 . 9 1 1 X 82 82 ILE CB C 75 38.163 37.356 0.807 1
1 891 . 9 1 1 X 82 82 ILE N N 75 123.572 120.152 3.420 1
1 892 . 9 1 1 X 83 83 VAL H H 76 8.135 8.012 0.123 1
1 893 . 9 1 1 X 83 83 VAL HA H 76 3.575 4.168 -0.593 1
1 901 . 9 1 1 X 83 83 VAL C C 76 177.094 178.153 -1.059 1
1 902 . 9 1 1 X 83 83 VAL CA C 76 68.153 65.929 2.224 1
1 903 . 9 1 1 X 83 83 VAL CB C 76 31.653 31.561 0.092 1
1 906 . 9 1 1 X 83 83 VAL N N 76 118.553 118.633 -0.080 1
1 907 . 9 1 1 X 84 84 LYS H H 77 7.803 8.102 -0.299 1
1 908 . 9 1 1 X 84 84 LYS HA H 77 4.006 4.040 -0.034 1
1 917 . 9 1 1 X 84 84 LYS C C 77 178.064 176.983 1.081 1
1 918 . 9 1 1 X 84 84 LYS CA C 77 60.516 59.336 1.180 1
1 919 . 9 1 1 X 84 84 LYS CB C 77 32.849 32.141 0.708 1
1 923 . 9 1 1 X 84 84 LYS N N 77 119.572 121.670 -2.098 1
1 924 . 9 1 1 X 85 85 GLU H H 78 7.629 7.650 -0.021 1
1 925 . 9 1 1 X 85 85 GLU HA H 78 4.246 4.269 -0.023 1
1 930 . 9 1 1 X 85 85 GLU C C 78 179.834 179.438 0.396 1
1 931 . 9 1 1 X 85 85 GLU CA C 78 59.752 59.002 0.750 1
1 932 . 9 1 1 X 85 85 GLU CB C 78 29.189 29.509 -0.320 1
1 934 . 9 1 1 X 85 85 GLU N N 78 118.366 118.603 -0.237 1
1 935 . 9 1 1 X 86 86 ILE H H 79 8.432 8.681 -0.249 1
1 936 . 9 1 1 X 86 86 ILE HA H 79 3.781 3.591 0.190 1
1 946 . 9 1 1 X 86 86 ILE C C 79 177.578 178.090 -0.512 1
1 947 . 9 1 1 X 86 86 ILE CA C 79 65.454 65.174 0.280 1
1 948 . 9 1 1 X 86 86 ILE CB C 79 37.940 37.745 0.195 1
1 952 . 9 1 1 X 86 86 ILE N N 79 118.975 120.354 -1.379 1
1 953 . 9 1 1 X 87 87 LYS H H 80 9.096 8.623 0.473 1
1 954 . 9 1 1 X 87 87 LYS HA H 80 3.958 3.744 0.214 1
1 963 . 9 1 1 X 87 87 LYS C C 80 180.285 178.565 1.720 1
1 964 . 9 1 1 X 87 87 LYS CA C 80 60.290 59.037 1.253 1
1 965 . 9 1 1 X 87 87 LYS CB C 80 33.299 31.989 1.310 1
1 969 . 9 1 1 X 87 87 LYS N N 80 119.805 120.376 -0.571 1
1 970 . 9 1 1 X 88 88 GLU H H 81 8.508 7.980 0.528 1
1 971 . 9 1 1 X 88 88 GLU HA H 81 4.099 4.092 0.007 1
1 976 . 9 1 1 X 88 88 GLU C C 81 179.195 178.950 0.245 1
1 977 . 9 1 1 X 88 88 GLU CA C 81 59.632 59.163 0.469 1
1 978 . 9 1 1 X 88 88 GLU CB C 81 29.649 29.623 0.026 1
1 980 . 9 1 1 X 88 88 GLU N N 81 118.920 119.340 -0.420 1
1 981 . 9 1 1 X 89 89 TRP H H 82 8.682 8.052 0.630 1
1 982 . 9 1 1 X 89 89 TRP HA H 82 4.201 4.320 -0.119 1
1 991 . 9 1 1 X 89 89 TRP C C 82 179.807 178.051 1.756 1
1 992 . 9 1 1 X 89 89 TRP CA C 82 63.110 60.727 2.383 1
1 993 . 9 1 1 X 89 89 TRP CB C 82 29.285 29.639 -0.354 1
1 999 . 9 1 1 X 89 89 TRP N N 82 122.152 123.133 -0.981 1
1 1001 . 9 1 1 X 90 90 ARG H H 83 9.025 8.389 0.636 1
1 1002 . 9 1 1 X 90 90 ARG HA H 83 3.295 3.912 -0.617 1
1 1009 . 9 1 1 X 90 90 ARG C C 83 178.120 178.068 0.052 1
1 1010 . 9 1 1 X 90 90 ARG CA C 83 60.895 59.559 1.336 1
1 1011 . 9 1 1 X 90 90 ARG CB C 83 28.668 29.736 -1.068 1
1 1014 . 9 1 1 X 90 90 ARG N N 83 118.380 120.019 -1.639 1
1 1015 . 9 1 1 X 91 91 ALA H H 84 7.759 8.196 -0.437 1
1 1016 . 9 1 1 X 91 91 ALA HA H 84 4.151 4.064 0.087 1
1 1020 . 9 1 1 X 91 91 ALA C C 84 181.466 180.140 1.326 1
1 1021 . 9 1 1 X 91 91 ALA CA C 84 55.217 54.917 0.300 1
1 1022 . 9 1 1 X 91 91 ALA CB C 84 18.175 18.050 0.125 1
1 1023 . 9 1 1 X 91 91 ALA N N 84 120.210 120.785 -0.575 1
1 1024 . 9 1 1 X 92 92 ALA H H 85 7.943 7.702 0.241 1
1 1025 . 9 1 1 X 92 92 ALA HA H 85 4.081 3.989 0.092 1
1 1029 . 9 1 1 X 92 92 ALA C C 85 178.324 179.729 -1.405 1
1 1030 . 9 1 1 X 92 92 ALA CA C 85 54.244 54.782 -0.538 1
1 1031 . 9 1 1 X 92 92 ALA CB C 85 18.306 18.231 0.075 1
1 1032 . 9 1 1 X 92 92 ALA N N 85 120.470 120.571 -0.101 1
1 1033 . 9 1 1 X 93 93 ASN H H 86 7.005 7.538 -0.533 1
1 1034 . 9 1 1 X 93 93 ASN HA H 86 4.475 4.493 -0.018 1
1 1039 . 9 1 1 X 93 93 ASN C C 86 174.108 175.993 -1.885 1
1 1040 . 9 1 1 X 93 93 ASN CA C 86 53.347 53.129 0.218 1
1 1041 . 9 1 1 X 93 93 ASN CB C 86 39.379 38.593 0.786 1
1 1043 . 9 1 1 X 93 93 ASN N N 86 113.372 114.330 -0.958 1
1 1045 . 9 1 1 X 94 94 GLY H H 87 7.535 8.473 -0.938 1
1 1046 . 9 1 1 X 94 94 GLY HA2 H 87 3.810 3.882 -0.072 1
1 1047 . 9 1 1 X 94 94 GLY HA3 H 87 3.810 3.884 -0.074 1
1 1048 . 9 1 1 X 94 94 GLY C C 87 174.481 173.944 0.537 1
1 1049 . 9 1 1 X 94 94 GLY CA C 87 47.230 46.444 0.786 1
1 1050 . 9 1 1 X 94 94 GLY N N 87 108.152 109.080 -0.928 1
1 1051 . 9 1 1 X 95 95 LYS H H 88 8.037 7.580 0.457 1
1 1052 . 9 1 1 X 95 95 LYS HA H 88 4.654 4.720 -0.066 1
1 1061 . 9 1 1 X 95 95 LYS CA C 88 53.357 52.927 0.430 1
1 1062 . 9 1 1 X 95 95 LYS CB C 88 32.741 35.673 -2.932 1
1 1066 . 9 1 1 X 95 95 LYS N N 88 119.147 119.841 -0.694 1
1 1067 . 9 1 1 X 96 96 PRO HA H 89 4.275 4.353 -0.078 1
1 1074 . 9 1 1 X 96 96 PRO C C 89 176.696 176.918 -0.222 1
1 1075 . 9 1 1 X 96 96 PRO CA C 89 63.482 63.478 0.004 1
1 1076 . 9 1 1 X 96 96 PRO CB C 89 32.981 31.886 1.095 1
1 1079 . 9 1 1 X 97 97 GLY H H 90 8.336 8.404 -0.068 1
1 1080 . 9 1 1 X 97 97 GLY HA2 H 90 4.074 3.760 0.314 1
1 1081 . 9 1 1 X 97 97 GLY HA3 H 90 3.615 3.840 -0.225 1
1 1082 . 9 1 1 X 97 97 GLY C C 90 173.388 173.512 -0.124 1
1 1083 . 9 1 1 X 97 97 GLY CA C 90 43.347 44.165 -0.818 1
1 1084 . 9 1 1 X 97 97 GLY N N 90 110.343 107.662 2.681 1
1 1085 . 9 1 1 X 98 98 PHE H H 91 7.749 8.037 -0.288 1
1 1086 . 9 1 1 X 98 98 PHE HA H 91 4.527 4.685 -0.158 1
1 1094 . 9 1 1 X 98 98 PHE C C 91 177.021 175.636 1.385 1
1 1095 . 9 1 1 X 98 98 PHE CA C 91 59.184 58.276 0.908 1
1 1096 . 9 1 1 X 98 98 PHE CB C 91 40.005 39.531 0.474 1
1 1102 . 9 1 1 X 98 98 PHE N N 91 116.151 120.882 -4.731 1
1 1103 . 9 1 1 X 99 99 LYS H H 92 8.531 9.018 -0.487 1
1 1104 . 9 1 1 X 99 99 LYS HA H 92 4.178 4.577 -0.399 1
1 1113 . 9 1 1 X 99 99 LYS C C 92 176.542 175.911 0.631 1
1 1114 . 9 1 1 X 99 99 LYS CA C 92 57.292 55.257 2.035 1
1 1115 . 9 1 1 X 99 99 LYS CB C 92 32.875 33.723 -0.848 1
1 1119 . 9 1 1 X 99 99 LYS N N 92 123.602 119.999 3.603 1
1 1120 . 9 1 1 X 100 100 GLN H H 93 8.633 8.415 0.218 1
1 1121 . 9 1 1 X 100 100 GLN HA H 93 4.297 5.205 -0.908 1
1 1128 . 9 1 1 X 100 100 GLN C C 93 175.318 175.324 -0.006 1
1 1129 . 9 1 1 X 100 100 GLN CA C 93 56.479 54.267 2.212 1
1 1130 . 9 1 1 X 100 100 GLN CB C 93 29.751 31.616 -1.865 1
1 1133 . 9 1 1 X 100 100 GLN N N 93 125.089 119.240 5.849 1
1 12 . 10 1 1 X 10 10 LEU H H 3 8.121 8.570 -0.449 1
1 13 . 10 1 1 X 10 10 LEU HA H 3 4.240 5.435 -1.195 1
1 23 . 10 1 1 X 10 10 LEU C C 3 176.909 176.228 0.681 1
1 24 . 10 1 1 X 10 10 LEU CA C 3 54.748 53.736 1.012 1
1 25 . 10 1 1 X 10 10 LEU CB C 3 41.272 43.156 -1.884 1
1 29 . 10 1 1 X 10 10 LEU N N 3 123.688 122.297 1.391 1
1 30 . 10 1 1 X 11 11 LYS H H 4 7.677 8.921 -1.244 1
1 31 . 10 1 1 X 11 11 LYS HA H 4 4.404 4.611 -0.207 1
1 40 . 10 1 1 X 11 11 LYS C C 4 176.184 176.790 -0.606 1
1 41 . 10 1 1 X 11 11 LYS CA C 4 55.828 54.452 1.376 1
1 42 . 10 1 1 X 11 11 LYS CB C 4 33.482 33.943 -0.461 1
1 46 . 10 1 1 X 11 11 LYS N N 4 122.221 123.031 -0.810 1
1 47 . 10 1 1 X 12 12 ASN H H 5 8.538 8.635 -0.097 1
1 48 . 10 1 1 X 12 12 ASN HA H 5 4.685 5.122 -0.437 1
1 53 . 10 1 1 X 12 12 ASN C C 5 174.925 175.342 -0.417 1
1 54 . 10 1 1 X 12 12 ASN CA C 5 55.721 53.965 1.756 1
1 55 . 10 1 1 X 12 12 ASN CB C 5 40.409 41.456 -1.047 1
1 57 . 10 1 1 X 12 12 ASN N N 5 116.610 118.014 -1.404 1
1 59 . 10 1 1 X 13 13 SER H H 6 8.144 7.711 0.433 1
1 60 . 10 1 1 X 13 13 SER HA H 6 4.819 4.845 -0.026 1
1 63 . 10 1 1 X 13 13 SER C C 6 175.123 175.306 -0.183 1
1 64 . 10 1 1 X 13 13 SER CA C 6 56.778 55.427 1.351 1
1 65 . 10 1 1 X 13 13 SER CB C 6 65.949 66.692 -0.743 1
1 66 . 10 1 1 X 13 13 SER N N 6 112.138 111.208 0.930 1
1 67 . 10 1 1 X 14 14 ILE H H 7 9.318 8.575 0.743 1
1 68 . 10 1 1 X 14 14 ILE HA H 7 3.966 4.574 -0.608 1
1 78 . 10 1 1 X 14 14 ILE C C 7 175.537 178.295 -2.758 1
1 79 . 10 1 1 X 14 14 ILE CA C 7 64.956 62.868 2.088 1
1 80 . 10 1 1 X 14 14 ILE CB C 7 37.062 38.200 -1.138 1
1 84 . 10 1 1 X 14 14 ILE N N 7 126.034 124.439 1.595 1
1 85 . 10 1 1 X 15 15 SER H H 8 7.504 8.118 -0.614 1
1 86 . 10 1 1 X 15 15 SER HA H 8 4.694 4.455 0.239 1
1 89 . 10 1 1 X 15 15 SER C C 8 174.278 174.508 -0.230 1
1 90 . 10 1 1 X 15 15 SER CA C 8 59.481 60.201 -0.720 1
1 91 . 10 1 1 X 15 15 SER CB C 8 63.241 63.475 -0.234 1
1 92 . 10 1 1 X 15 15 SER N N 8 112.517 117.598 -5.081 1
1 93 . 10 1 1 X 16 16 ASP H H 9 7.783 7.857 -0.074 1
1 94 . 10 1 1 X 16 16 ASP HA H 9 4.791 4.778 0.013 1
1 97 . 10 1 1 X 16 16 ASP C C 9 175.976 175.814 0.162 1
1 98 . 10 1 1 X 16 16 ASP CA C 9 55.243 53.505 1.738 1
1 99 . 10 1 1 X 16 16 ASP CB C 9 43.327 41.123 2.204 1
1 100 . 10 1 1 X 16 16 ASP N N 9 117.795 119.858 -2.063 1
1 101 . 10 1 1 X 17 17 TYR H H 10 8.279 7.643 0.636 1
1 102 . 10 1 1 X 17 17 TYR HA H 10 4.962 5.096 -0.134 1
1 109 . 10 1 1 X 17 17 TYR C C 10 177.535 176.317 1.218 1
1 110 . 10 1 1 X 17 17 TYR CA C 10 58.573 57.385 1.188 1
1 111 . 10 1 1 X 17 17 TYR CB C 10 41.015 39.532 1.483 1
1 116 . 10 1 1 X 17 17 TYR N N 10 120.484 119.050 1.434 1
1 117 . 10 1 1 X 18 18 THR H H 11 8.796 8.861 -0.065 1
1 118 . 10 1 1 X 18 18 THR HA H 11 5.040 5.188 -0.148 1
1 123 . 10 1 1 X 18 18 THR C C 11 176.099 176.100 -0.001 1
1 124 . 10 1 1 X 18 18 THR CA C 11 60.775 60.546 0.229 1
1 125 . 10 1 1 X 18 18 THR CB C 11 71.041 70.649 0.392 1
1 127 . 10 1 1 X 18 18 THR N N 11 112.143 117.089 -4.946 1
1 128 . 10 1 1 X 19 19 GLU H H 12 9.173 9.009 0.164 1
1 129 . 10 1 1 X 19 19 GLU HA H 12 2.757 3.445 -0.688 1
1 134 . 10 1 1 X 19 19 GLU C C 12 178.378 178.799 -0.421 1
1 135 . 10 1 1 X 19 19 GLU CA C 12 60.906 58.951 1.955 1
1 136 . 10 1 1 X 19 19 GLU CB C 12 29.442 28.698 0.744 1
1 138 . 10 1 1 X 19 19 GLU N N 12 122.386 121.206 1.180 1
1 139 . 10 1 1 X 20 20 ALA H H 13 8.356 8.155 0.201 1
1 140 . 10 1 1 X 20 20 ALA HA H 13 4.069 4.143 -0.074 1
1 144 . 10 1 1 X 20 20 ALA C C 13 181.816 179.364 2.452 1
1 145 . 10 1 1 X 20 20 ALA CA C 13 55.388 54.981 0.407 1
1 146 . 10 1 1 X 20 20 ALA CB C 13 18.308 18.449 -0.141 1
1 147 . 10 1 1 X 20 20 ALA N N 13 118.695 122.295 -3.600 1
1 148 . 10 1 1 X 21 21 GLU H H 14 8.013 8.118 -0.105 1
1 149 . 10 1 1 X 21 21 GLU HA H 14 4.131 4.169 -0.038 1
1 154 . 10 1 1 X 21 21 GLU C C 14 179.649 179.289 0.360 1
1 155 . 10 1 1 X 21 21 GLU CA C 14 58.916 59.283 -0.367 1
1 156 . 10 1 1 X 21 21 GLU CB C 14 31.632 29.742 1.890 1
1 158 . 10 1 1 X 21 21 GLU N N 14 118.978 119.779 -0.801 1
1 159 . 10 1 1 X 22 22 PHE H H 15 8.635 8.459 0.176 1
1 160 . 10 1 1 X 22 22 PHE HA H 15 4.049 4.085 -0.036 1
1 167 . 10 1 1 X 22 22 PHE C C 15 177.402 177.275 0.127 1
1 168 . 10 1 1 X 22 22 PHE CA C 15 62.183 61.626 0.557 1
1 169 . 10 1 1 X 22 22 PHE CB C 15 40.545 39.161 1.384 1
1 174 . 10 1 1 X 22 22 PHE N N 15 124.639 120.502 4.137 1
1 175 . 10 1 1 X 23 23 VAL H H 16 8.647 8.661 -0.014 1
1 176 . 10 1 1 X 23 23 VAL HA H 16 3.416 3.857 -0.441 1
1 184 . 10 1 1 X 23 23 VAL C C 16 177.798 177.955 -0.157 1
1 185 . 10 1 1 X 23 23 VAL CA C 16 67.917 65.942 1.975 1
1 186 . 10 1 1 X 23 23 VAL CB C 16 31.579 31.444 0.135 1
1 189 . 10 1 1 X 23 23 VAL N N 16 119.817 118.780 1.037 1
1 190 . 10 1 1 X 24 24 GLN H H 17 7.569 8.156 -0.587 1
1 191 . 10 1 1 X 24 24 GLN HA H 17 3.943 3.986 -0.043 1
1 198 . 10 1 1 X 24 24 GLN C C 17 178.313 178.124 0.189 1
1 199 . 10 1 1 X 24 24 GLN CA C 17 59.289 59.139 0.150 1
1 200 . 10 1 1 X 24 24 GLN CB C 17 27.814 28.111 -0.297 1
1 203 . 10 1 1 X 24 24 GLN N N 17 117.658 121.434 -3.776 1
1 205 . 10 1 1 X 25 25 LEU H H 18 7.512 7.939 -0.427 1
1 206 . 10 1 1 X 25 25 LEU HA H 18 4.136 4.028 0.108 1
1 216 . 10 1 1 X 25 25 LEU C C 18 178.440 178.017 0.423 1
1 217 . 10 1 1 X 25 25 LEU CA C 18 58.651 58.031 0.620 1
1 218 . 10 1 1 X 25 25 LEU CB C 18 40.626 41.359 -0.733 1
1 222 . 10 1 1 X 25 25 LEU N N 18 122.037 120.924 1.113 1
1 223 . 10 1 1 X 26 26 LEU H H 19 7.761 8.293 -0.532 1
1 224 . 10 1 1 X 26 26 LEU HA H 19 3.748 3.736 0.012 1
1 234 . 10 1 1 X 26 26 LEU C C 19 180.080 178.470 1.610 1
1 235 . 10 1 1 X 26 26 LEU CA C 19 58.041 58.212 -0.171 1
1 236 . 10 1 1 X 26 26 LEU CB C 19 41.009 41.434 -0.425 1
1 240 . 10 1 1 X 26 26 LEU N N 19 118.502 119.772 -1.270 1
1 241 . 10 1 1 X 27 27 LYS H H 20 8.357 8.195 0.162 1
1 242 . 10 1 1 X 27 27 LYS HA H 20 4.019 3.870 0.149 1
1 251 . 10 1 1 X 27 27 LYS C C 20 179.559 179.714 -0.155 1
1 252 . 10 1 1 X 27 27 LYS CA C 20 59.648 59.949 -0.301 1
1 253 . 10 1 1 X 27 27 LYS CB C 20 31.995 31.977 0.018 1
1 257 . 10 1 1 X 27 27 LYS N N 20 120.427 118.689 1.738 1
1 258 . 10 1 1 X 28 28 GLU H H 21 8.123 7.574 0.549 1
1 259 . 10 1 1 X 28 28 GLU HA H 21 4.082 4.020 0.062 1
1 264 . 10 1 1 X 28 28 GLU C C 21 179.063 179.435 -0.372 1
1 265 . 10 1 1 X 28 28 GLU CA C 21 59.406 59.079 0.327 1
1 266 . 10 1 1 X 28 28 GLU CB C 21 29.146 29.438 -0.292 1
1 268 . 10 1 1 X 28 28 GLU N N 21 122.374 120.015 2.359 1
1 269 . 10 1 1 X 29 29 ILE H H 22 8.049 8.157 -0.108 1
1 270 . 10 1 1 X 29 29 ILE HA H 22 3.343 3.509 -0.166 1
1 280 . 10 1 1 X 29 29 ILE C C 22 177.151 177.711 -0.560 1
1 281 . 10 1 1 X 29 29 ILE CA C 22 66.435 65.708 0.727 1
1 282 . 10 1 1 X 29 29 ILE CB C 22 37.954 37.504 0.450 1
1 286 . 10 1 1 X 29 29 ILE N N 22 120.195 121.080 -0.885 1
1 287 . 10 1 1 X 30 30 GLU H H 23 7.820 8.316 -0.496 1
1 288 . 10 1 1 X 30 30 GLU HA H 23 3.983 3.801 0.182 1
1 293 . 10 1 1 X 30 30 GLU C C 23 178.990 179.093 -0.103 1
1 294 . 10 1 1 X 30 30 GLU CA C 23 59.460 59.514 -0.054 1
1 295 . 10 1 1 X 30 30 GLU CB C 23 30.012 29.033 0.979 1
1 297 . 10 1 1 X 30 30 GLU N N 23 118.917 119.245 -0.328 1
1 298 . 10 1 1 X 31 31 LYS H H 24 7.678 7.889 -0.211 1
1 299 . 10 1 1 X 31 31 LYS HA H 24 4.059 3.920 0.139 1
1 308 . 10 1 1 X 31 31 LYS C C 24 179.231 179.367 -0.136 1
1 309 . 10 1 1 X 31 31 LYS CA C 24 59.152 59.620 -0.468 1
1 310 . 10 1 1 X 31 31 LYS CB C 24 32.712 31.995 0.717 1
1 314 . 10 1 1 X 31 31 LYS N N 24 118.807 120.600 -1.793 1
1 315 . 10 1 1 X 32 32 GLU H H 25 8.182 8.356 -0.174 1
1 316 . 10 1 1 X 32 32 GLU HA H 25 4.309 3.973 0.336 1
1 321 . 10 1 1 X 32 32 GLU C C 25 177.897 178.983 -1.086 1
1 322 . 10 1 1 X 32 32 GLU CA C 25 57.449 59.460 -2.011 1
1 323 . 10 1 1 X 32 32 GLU CB C 25 29.522 29.286 0.236 1
1 325 . 10 1 1 X 32 32 GLU N N 25 118.578 119.029 -0.451 1
1 326 . 10 1 1 X 33 33 ASN H H 26 8.343 8.261 0.082 1
1 327 . 10 1 1 X 33 33 ASN HA H 26 4.608 4.396 0.212 1
1 330 . 10 1 1 X 33 33 ASN C C 26 176.524 177.313 -0.789 1
1 331 . 10 1 1 X 33 33 ASN CA C 26 55.463 56.564 -1.101 1
1 332 . 10 1 1 X 33 33 ASN CB C 26 39.074 38.934 0.140 1
1 333 . 10 1 1 X 33 33 ASN N N 26 118.483 118.459 0.024 1
1 334 . 10 1 1 X 34 34 VAL H H 27 7.434 7.883 -0.449 1
1 335 . 10 1 1 X 34 34 VAL HA H 27 4.182 3.959 0.223 1
1 343 . 10 1 1 X 34 34 VAL C C 27 176.315 177.390 -1.075 1
1 344 . 10 1 1 X 34 34 VAL CA C 27 62.829 63.908 -1.079 1
1 345 . 10 1 1 X 34 34 VAL CB C 27 32.178 31.164 1.014 1
1 348 . 10 1 1 X 34 34 VAL N N 27 114.036 116.406 -2.370 1
1 349 . 10 1 1 X 35 35 ALA H H 28 7.648 7.826 -0.178 1
1 350 . 10 1 1 X 35 35 ALA HA H 28 4.346 4.280 0.066 1
1 354 . 10 1 1 X 35 35 ALA C C 28 177.126 176.862 0.264 1
1 355 . 10 1 1 X 35 35 ALA CA C 28 52.712 52.052 0.660 1
1 356 . 10 1 1 X 35 35 ALA CB C 28 19.915 19.276 0.639 1
1 357 . 10 1 1 X 35 35 ALA N N 28 124.066 123.704 0.362 1
1 358 . 10 1 1 X 36 36 ALA H H 29 8.337 7.789 0.548 1
1 359 . 10 1 1 X 36 36 ALA HA H 29 4.260 4.052 0.208 1
1 363 . 10 1 1 X 36 36 ALA C C 29 177.999 177.926 0.073 1
1 364 . 10 1 1 X 36 36 ALA CA C 29 53.660 52.973 0.687 1
1 365 . 10 1 1 X 36 36 ALA CB C 29 19.175 16.993 2.182 1
1 366 . 10 1 1 X 36 36 ALA N N 29 121.695 119.799 1.896 1
1 367 . 10 1 1 X 37 37 THR H H 30 8.093 8.160 -0.067 1
1 368 . 10 1 1 X 37 37 THR HA H 30 4.533 4.157 0.376 1
1 373 . 10 1 1 X 37 37 THR C C 30 174.715 175.541 -0.826 1
1 374 . 10 1 1 X 37 37 THR CA C 30 60.860 63.179 -2.319 1
1 375 . 10 1 1 X 37 37 THR CB C 30 70.424 70.059 0.365 1
1 377 . 10 1 1 X 37 37 THR N N 30 110.112 109.946 0.166 1
1 378 . 10 1 1 X 38 38 ASP H H 31 8.488 8.012 0.476 1
1 379 . 10 1 1 X 38 38 ASP HA H 31 4.685 4.247 0.438 1
1 382 . 10 1 1 X 38 38 ASP C C 31 175.896 176.249 -0.353 1
1 383 . 10 1 1 X 38 38 ASP CA C 31 54.704 56.766 -2.062 1
1 384 . 10 1 1 X 38 38 ASP CB C 31 41.389 38.934 2.455 1
1 385 . 10 1 1 X 38 38 ASP N N 31 121.899 116.374 5.525 1
1 386 . 10 1 1 X 39 39 ASP H H 32 8.368 8.619 -0.251 1
1 387 . 10 1 1 X 39 39 ASP HA H 32 4.459 4.346 0.113 1
1 390 . 10 1 1 X 39 39 ASP C C 32 177.499 178.200 -0.701 1
1 391 . 10 1 1 X 39 39 ASP CA C 32 56.443 57.369 -0.926 1
1 392 . 10 1 1 X 39 39 ASP CB C 32 40.737 41.368 -0.631 1
1 393 . 10 1 1 X 39 39 ASP N N 32 118.770 120.629 -1.859 1
1 394 . 10 1 1 X 40 40 VAL H H 33 7.963 7.979 -0.016 1
1 395 . 10 1 1 X 40 40 VAL HA H 33 3.800 3.872 -0.072 1
1 403 . 10 1 1 X 40 40 VAL C C 33 177.362 177.511 -0.149 1
1 404 . 10 1 1 X 40 40 VAL CA C 33 64.970 64.932 0.038 1
1 405 . 10 1 1 X 40 40 VAL CB C 33 32.256 31.618 0.638 1
1 408 . 10 1 1 X 40 40 VAL N N 33 119.409 118.020 1.389 1
1 409 . 10 1 1 X 41 41 LEU H H 34 8.508 8.072 0.436 1
1 410 . 10 1 1 X 41 41 LEU HA H 34 3.857 3.893 -0.036 1
1 420 . 10 1 1 X 41 41 LEU C C 34 177.633 178.133 -0.500 1
1 421 . 10 1 1 X 41 41 LEU CA C 34 58.428 58.604 -0.176 1
1 422 . 10 1 1 X 41 41 LEU CB C 34 41.755 41.281 0.474 1
1 426 . 10 1 1 X 41 41 LEU N N 34 122.150 122.822 -0.672 1
1 427 . 10 1 1 X 42 42 ASP H H 35 8.236 8.763 -0.527 1
1 428 . 10 1 1 X 42 42 ASP HA H 35 4.370 4.375 -0.005 1
1 431 . 10 1 1 X 42 42 ASP C C 35 179.155 178.673 0.482 1
1 432 . 10 1 1 X 42 42 ASP CA C 35 57.925 57.701 0.224 1
1 433 . 10 1 1 X 42 42 ASP CB C 35 40.417 40.906 -0.489 1
1 434 . 10 1 1 X 42 42 ASP N N 35 116.374 118.931 -2.557 1
1 435 . 10 1 1 X 43 43 VAL H H 36 7.320 7.754 -0.434 1
1 436 . 10 1 1 X 43 43 VAL HA H 36 3.782 3.593 0.189 1
1 444 . 10 1 1 X 43 43 VAL C C 36 179.309 178.365 0.944 1
1 445 . 10 1 1 X 43 43 VAL CA C 36 66.080 66.690 -0.610 1
1 446 . 10 1 1 X 43 43 VAL CB C 36 32.245 31.736 0.509 1
1 449 . 10 1 1 X 43 43 VAL N N 36 119.754 120.110 -0.356 1
1 450 . 10 1 1 X 44 44 LEU H H 37 8.122 8.266 -0.144 1
1 451 . 10 1 1 X 44 44 LEU HA H 37 4.008 4.030 -0.022 1
1 461 . 10 1 1 X 44 44 LEU C C 37 179.518 179.392 0.126 1
1 462 . 10 1 1 X 44 44 LEU CA C 37 58.048 57.853 0.195 1
1 463 . 10 1 1 X 44 44 LEU CB C 37 42.374 41.753 0.621 1
1 467 . 10 1 1 X 44 44 LEU N N 37 120.608 119.055 1.553 1
1 468 . 10 1 1 X 45 45 LEU H H 38 8.898 8.590 0.308 1
1 469 . 10 1 1 X 45 45 LEU HA H 38 4.030 3.963 0.067 1
1 479 . 10 1 1 X 45 45 LEU C C 38 179.166 179.498 -0.332 1
1 480 . 10 1 1 X 45 45 LEU CA C 38 58.184 58.134 0.050 1
1 481 . 10 1 1 X 45 45 LEU CB C 38 41.506 41.585 -0.079 1
1 485 . 10 1 1 X 45 45 LEU N N 38 119.199 118.662 0.537 1
1 486 . 10 1 1 X 46 46 GLU H H 39 7.964 8.378 -0.414 1
1 487 . 10 1 1 X 46 46 GLU HA H 39 4.066 4.024 0.042 1
1 492 . 10 1 1 X 46 46 GLU C C 39 178.995 179.015 -0.020 1
1 493 . 10 1 1 X 46 46 GLU CA C 39 59.769 59.680 0.089 1
1 494 . 10 1 1 X 46 46 GLU CB C 39 29.577 29.334 0.243 1
1 496 . 10 1 1 X 46 46 GLU N N 39 119.334 118.771 0.563 1
1 497 . 10 1 1 X 47 47 HIS H H 40 8.009 8.508 -0.499 1
1 498 . 10 1 1 X 47 47 HIS HA H 40 4.416 4.382 0.034 1
1 503 . 10 1 1 X 47 47 HIS C C 40 176.115 176.973 -0.858 1
1 504 . 10 1 1 X 47 47 HIS CA C 40 60.151 58.819 1.332 1
1 505 . 10 1 1 X 47 47 HIS CB C 40 30.389 30.696 -0.307 1
1 508 . 10 1 1 X 47 47 HIS N N 40 119.610 119.963 -0.353 1
1 509 . 10 1 1 X 48 48 PHE H H 41 8.711 8.720 -0.009 1
1 510 . 10 1 1 X 48 48 PHE HA H 41 3.808 4.116 -0.308 1
1 518 . 10 1 1 X 48 48 PHE C C 41 178.023 177.275 0.748 1
1 519 . 10 1 1 X 48 48 PHE CA C 41 62.654 61.288 1.366 1
1 520 . 10 1 1 X 48 48 PHE CB C 41 39.408 39.176 0.232 1
1 526 . 10 1 1 X 48 48 PHE N N 41 118.110 120.180 -2.070 1
1 527 . 10 1 1 X 49 49 VAL H H 42 8.439 8.150 0.289 1
1 528 . 10 1 1 X 49 49 VAL HA H 42 3.359 3.837 -0.478 1
1 536 . 10 1 1 X 49 49 VAL C C 42 178.340 177.572 0.768 1
1 537 . 10 1 1 X 49 49 VAL CA C 42 67.276 64.430 2.846 1
1 538 . 10 1 1 X 49 49 VAL CB C 42 32.235 31.426 0.809 1
1 541 . 10 1 1 X 49 49 VAL N N 42 121.301 118.562 2.739 1
1 542 . 10 1 1 X 50 50 LYS H H 43 8.091 8.431 -0.340 1
1 543 . 10 1 1 X 50 50 LYS HA H 43 3.973 4.006 -0.033 1
1 552 . 10 1 1 X 50 50 LYS C C 43 178.985 178.141 0.844 1
1 553 . 10 1 1 X 50 50 LYS CA C 43 59.580 58.908 0.672 1
1 554 . 10 1 1 X 50 50 LYS CB C 43 32.784 31.713 1.071 1
1 558 . 10 1 1 X 50 50 LYS N N 43 120.887 119.880 1.007 1
1 559 . 10 1 1 X 51 51 ILE H H 44 8.347 7.455 0.892 1
1 560 . 10 1 1 X 51 51 ILE HA H 44 4.159 3.804 0.355 1
1 570 . 10 1 1 X 51 51 ILE C C 44 178.121 178.008 0.113 1
1 571 . 10 1 1 X 51 51 ILE CA C 44 62.328 64.199 -1.871 1
1 572 . 10 1 1 X 51 51 ILE CB C 44 37.576 37.489 0.087 1
1 576 . 10 1 1 X 51 51 ILE N N 44 111.354 116.970 -5.616 1
1 577 . 10 1 1 X 52 52 THR H H 45 7.588 7.765 -0.177 1
1 578 . 10 1 1 X 52 52 THR HA H 45 3.683 3.862 -0.179 1
1 583 . 10 1 1 X 52 52 THR C C 45 176.285 175.158 1.127 1
1 584 . 10 1 1 X 52 52 THR CA C 45 65.803 64.371 1.432 1
1 585 . 10 1 1 X 52 52 THR CB C 45 69.689 69.630 0.059 1
1 587 . 10 1 1 X 52 52 THR N N 45 109.646 112.927 -3.281 1
1 588 . 10 1 1 X 53 53 GLU H H 46 7.366 8.018 -0.652 1
1 589 . 10 1 1 X 53 53 GLU HA H 46 3.836 3.941 -0.105 1
1 594 . 10 1 1 X 53 53 GLU C C 46 173.418 174.352 -0.934 1
1 595 . 10 1 1 X 53 53 GLU CA C 46 57.709 57.442 0.267 1
1 596 . 10 1 1 X 53 53 GLU CB C 46 29.067 27.208 1.859 1
1 598 . 10 1 1 X 53 53 GLU N N 46 112.606 114.661 -2.055 1
1 599 . 10 1 1 X 54 54 HIS H H 47 7.127 7.208 -0.081 1
1 600 . 10 1 1 X 54 54 HIS HA H 47 3.070 3.772 -0.702 1
1 605 . 10 1 1 X 54 54 HIS CA C 47 55.826 54.376 1.450 1
1 606 . 10 1 1 X 54 54 HIS CB C 47 32.124 30.702 1.422 1
1 609 . 10 1 1 X 54 54 HIS N N 47 119.651 119.420 0.231 1
1 610 . 10 1 1 X 55 55 PRO HA H 48 4.143 4.271 -0.128 1
1 617 . 10 1 1 X 55 55 PRO CA C 48 64.843 63.728 1.115 1
1 618 . 10 1 1 X 55 55 PRO CB C 48 32.350 31.502 0.848 1
1 621 . 10 1 1 X 56 56 ASP H H 49 10.605 8.233 2.372 1
1 622 . 10 1 1 X 56 56 ASP HA H 49 4.712 5.066 -0.354 1
1 625 . 10 1 1 X 56 56 ASP C C 49 178.187 177.117 1.070 1
1 626 . 10 1 1 X 56 56 ASP CA C 49 54.989 53.608 1.381 1
1 627 . 10 1 1 X 56 56 ASP CB C 49 40.657 42.050 -1.393 1
1 628 . 10 1 1 X 56 56 ASP N N 49 121.022 118.632 2.390 1
1 629 . 10 1 1 X 57 57 GLY H H 50 8.011 8.080 -0.069 1
1 630 . 10 1 1 X 57 57 GLY HA2 H 50 4.122 3.894 0.228 1
1 631 . 10 1 1 X 57 57 GLY HA3 H 50 3.701 3.902 -0.201 1
1 632 . 10 1 1 X 57 57 GLY C C 50 175.337 175.903 -0.566 1
1 633 . 10 1 1 X 57 57 GLY CA C 50 47.435 47.351 0.084 1
1 634 . 10 1 1 X 57 57 GLY N N 50 108.190 108.987 -0.797 1
1 635 . 10 1 1 X 58 58 THR H H 51 9.047 8.278 0.769 1
1 636 . 10 1 1 X 58 58 THR HA H 51 3.730 4.139 -0.409 1
1 641 . 10 1 1 X 58 58 THR C C 51 176.082 176.586 -0.504 1
1 642 . 10 1 1 X 58 58 THR CA C 51 64.795 65.418 -0.623 1
1 643 . 10 1 1 X 58 58 THR CB C 51 68.398 68.684 -0.286 1
1 645 . 10 1 1 X 58 58 THR N N 51 114.996 117.002 -2.006 1
1 646 . 10 1 1 X 59 59 ALA H H 52 8.142 8.116 0.026 1
1 647 . 10 1 1 X 59 59 ALA HA H 52 4.205 4.179 0.026 1
1 651 . 10 1 1 X 59 59 ALA C C 52 179.373 180.109 -0.736 1
1 652 . 10 1 1 X 59 59 ALA CA C 52 55.625 55.209 0.416 1
1 653 . 10 1 1 X 59 59 ALA CB C 52 18.416 18.055 0.361 1
1 654 . 10 1 1 X 59 59 ALA N N 52 125.565 123.604 1.961 1
1 655 . 10 1 1 X 60 60 LEU H H 53 7.399 8.382 -0.983 1
1 656 . 10 1 1 X 60 60 LEU HA H 53 3.835 3.929 -0.094 1
1 666 . 10 1 1 X 60 60 LEU C C 53 178.601 179.189 -0.588 1
1 667 . 10 1 1 X 60 60 LEU CA C 53 58.031 58.022 0.009 1
1 668 . 10 1 1 X 60 60 LEU CB C 53 43.487 42.131 1.356 1
1 672 . 10 1 1 X 60 60 LEU N N 53 114.763 117.885 -3.122 1
1 673 . 10 1 1 X 61 61 ILE H H 54 6.855 7.632 -0.777 1
1 674 . 10 1 1 X 61 61 ILE HA H 54 3.518 3.390 0.128 1
1 684 . 10 1 1 X 61 61 ILE C C 54 178.595 177.579 1.016 1
1 685 . 10 1 1 X 61 61 ILE CA C 54 62.989 64.992 -2.003 1
1 686 . 10 1 1 X 61 61 ILE CB C 54 38.424 37.240 1.184 1
1 690 . 10 1 1 X 61 61 ILE N N 54 114.394 119.158 -4.764 1
1 691 . 10 1 1 X 62 62 TYR H H 55 7.489 7.828 -0.339 1
1 692 . 10 1 1 X 62 62 TYR HA H 55 4.243 4.248 -0.005 1
1 699 . 10 1 1 X 62 62 TYR C C 55 178.634 178.757 -0.123 1
1 700 . 10 1 1 X 62 62 TYR CA C 55 61.518 60.384 1.134 1
1 701 . 10 1 1 X 62 62 TYR CB C 55 37.566 38.303 -0.737 1
1 706 . 10 1 1 X 62 62 TYR N N 55 117.898 118.242 -0.344 1
1 707 . 10 1 1 X 63 63 GLU H H 56 8.659 9.030 -0.371 1
1 708 . 10 1 1 X 63 63 GLU HA H 56 4.441 4.133 0.308 1
1 713 . 10 1 1 X 63 63 GLU C C 56 177.785 178.850 -1.065 1
1 714 . 10 1 1 X 63 63 GLU CA C 56 57.658 59.377 -1.719 1
1 715 . 10 1 1 X 63 63 GLU CB C 56 29.034 29.116 -0.082 1
1 717 . 10 1 1 X 63 63 GLU N N 56 119.392 117.913 1.479 1
1 718 . 10 1 1 X 64 64 ALA H H 57 7.164 8.132 -0.968 1
1 719 . 10 1 1 X 64 64 ALA HA H 57 4.021 4.125 -0.104 1
1 723 . 10 1 1 X 64 64 ALA C C 57 180.327 179.955 0.372 1
1 724 . 10 1 1 X 64 64 ALA CA C 57 55.759 54.932 0.827 1
1 725 . 10 1 1 X 64 64 ALA CB C 57 18.615 18.141 0.474 1
1 726 . 10 1 1 X 64 64 ALA N N 57 121.778 122.533 -0.755 1
1 727 . 10 1 1 X 65 65 ALA H H 58 8.076 8.064 0.012 1
1 728 . 10 1 1 X 65 65 ALA HA H 58 4.137 4.022 0.115 1
1 732 . 10 1 1 X 65 65 ALA C C 58 180.248 179.465 0.783 1
1 733 . 10 1 1 X 65 65 ALA CA C 58 55.104 54.969 0.135 1
1 734 . 10 1 1 X 65 65 ALA CB C 58 18.071 18.388 -0.317 1
1 735 . 10 1 1 X 65 65 ALA N N 58 120.307 119.988 0.319 1
1 736 . 10 1 1 X 66 66 ALA H H 59 7.893 7.863 0.030 1
1 737 . 10 1 1 X 66 66 ALA HA H 59 4.170 4.078 0.092 1
1 741 . 10 1 1 X 66 66 ALA C C 59 180.838 179.771 1.067 1
1 742 . 10 1 1 X 66 66 ALA CA C 59 54.800 55.101 -0.301 1
1 743 . 10 1 1 X 66 66 ALA CB C 59 18.184 17.937 0.247 1
1 744 . 10 1 1 X 66 66 ALA N N 59 122.126 119.688 2.438 1
1 745 . 10 1 1 X 67 67 ARG H H 60 8.139 8.734 -0.595 1
1 746 . 10 1 1 X 67 67 ARG HA H 60 4.065 3.998 0.067 1
1 753 . 10 1 1 X 67 67 ARG C C 60 178.779 178.272 0.507 1
1 754 . 10 1 1 X 67 67 ARG CA C 60 59.282 59.614 -0.332 1
1 755 . 10 1 1 X 67 67 ARG CB C 60 30.863 29.645 1.218 1
1 758 . 10 1 1 X 67 67 ARG N N 60 118.948 118.358 0.590 1
1 759 . 10 1 1 X 68 68 ALA H H 61 7.891 8.021 -0.130 1
1 760 . 10 1 1 X 68 68 ALA HA H 61 4.141 4.130 0.011 1
1 764 . 10 1 1 X 68 68 ALA C C 61 179.329 179.771 -0.442 1
1 765 . 10 1 1 X 68 68 ALA CA C 61 54.340 54.846 -0.506 1
1 766 . 10 1 1 X 68 68 ALA CB C 61 18.528 18.387 0.141 1
1 767 . 10 1 1 X 68 68 ALA N N 61 121.473 122.375 -0.902 1
1 768 . 10 1 1 X 69 69 ALA H H 62 7.663 7.737 -0.074 1
1 769 . 10 1 1 X 69 69 ALA HA H 62 4.133 4.094 0.039 1
1 773 . 10 1 1 X 69 69 ALA C C 62 178.591 178.101 0.490 1
1 774 . 10 1 1 X 69 69 ALA CA C 62 53.863 55.082 -1.219 1
1 775 . 10 1 1 X 69 69 ALA CB C 62 18.438 19.126 -0.688 1
1 776 . 10 1 1 X 69 69 ALA N N 62 118.937 119.479 -0.542 1
1 777 . 10 1 1 X 70 70 ALA H H 63 7.488 7.521 -0.033 1
1 778 . 10 1 1 X 70 70 ALA HA H 63 4.280 4.499 -0.219 1
1 782 . 10 1 1 X 70 70 ALA C C 63 177.318 175.849 1.469 1
1 783 . 10 1 1 X 70 70 ALA CA C 63 52.981 51.168 1.813 1
1 784 . 10 1 1 X 70 70 ALA CB C 63 19.324 19.558 -0.234 1
1 785 . 10 1 1 X 70 70 ALA N N 63 118.642 118.404 0.238 1
1 786 . 10 1 1 X 71 71 ASN H H 64 7.631 8.794 -1.163 1
1 787 . 10 1 1 X 71 71 ASN HA H 64 5.077 5.168 -0.091 1
1 792 . 10 1 1 X 71 71 ASN CA C 64 50.877 51.753 -0.876 1
1 793 . 10 1 1 X 71 71 ASN CB C 64 39.243 38.621 0.622 1
1 795 . 10 1 1 X 71 71 ASN N N 64 116.008 123.453 -7.445 1
1 797 . 10 1 1 X 72 72 PRO HA H 65 4.468 4.502 -0.034 1
1 804 . 10 1 1 X 72 72 PRO CA C 65 64.454 63.816 0.638 1
1 805 . 10 1 1 X 72 72 PRO CB C 65 32.007 31.785 0.222 1
1 808 . 10 1 1 X 73 73 GLY H H 66 8.608 7.534 1.074 1
1 809 . 10 1 1 X 73 73 GLY HA2 H 66 3.978 4.094 -0.116 1
1 810 . 10 1 1 X 73 73 GLY HA3 H 66 3.978 4.096 -0.118 1
1 811 . 10 1 1 X 73 73 GLY C C 66 175.054 172.202 2.852 1
1 812 . 10 1 1 X 73 73 GLY CA C 66 45.521 45.939 -0.418 1
1 813 . 10 1 1 X 73 73 GLY N N 66 109.435 106.255 3.180 1
1 814 . 10 1 1 X 74 74 GLY H H 67 8.085 8.428 -0.343 1
1 815 . 10 1 1 X 74 74 GLY HA2 H 67 4.132 4.284 -0.152 1
1 816 . 10 1 1 X 74 74 GLY HA3 H 67 3.896 4.284 -0.388 1
1 817 . 10 1 1 X 74 74 GLY C C 67 174.008 174.783 -0.775 1
1 818 . 10 1 1 X 74 74 GLY CA C 67 45.450 45.681 -0.231 1
1 819 . 10 1 1 X 74 74 GLY N N 67 108.472 111.138 -2.666 1
1 820 . 10 1 1 X 75 75 ASP H H 68 8.307 8.380 -0.073 1
1 821 . 10 1 1 X 75 75 ASP HA H 68 4.646 4.709 -0.063 1
1 824 . 10 1 1 X 75 75 ASP C C 68 176.933 176.473 0.460 1
1 825 . 10 1 1 X 75 75 ASP CA C 68 54.226 54.126 0.100 1
1 826 . 10 1 1 X 75 75 ASP CB C 68 41.486 42.394 -0.908 1
1 827 . 10 1 1 X 75 75 ASP N N 68 119.941 117.232 2.709 1
1 828 . 10 1 1 X 76 76 GLY H H 69 8.502 7.526 0.976 1
1 829 . 10 1 1 X 76 76 GLY HA2 H 69 3.966 4.095 -0.129 1
1 830 . 10 1 1 X 76 76 GLY HA3 H 69 3.951 4.100 -0.149 1
1 831 . 10 1 1 X 76 76 GLY C C 69 174.771 173.854 0.917 1
1 832 . 10 1 1 X 76 76 GLY CA C 69 45.744 45.432 0.312 1
1 833 . 10 1 1 X 76 76 GLY N N 69 109.061 106.496 2.565 1
1 834 . 10 1 1 X 77 77 GLY H H 70 8.367 8.744 -0.377 1
1 835 . 10 1 1 X 77 77 GLY HA2 H 70 4.092 4.121 -0.029 1
1 836 . 10 1 1 X 77 77 GLY HA3 H 70 3.920 4.124 -0.204 1
1 837 . 10 1 1 X 77 77 GLY C C 70 174.782 174.381 0.401 1
1 838 . 10 1 1 X 77 77 GLY CA C 70 45.327 45.092 0.235 1
1 839 . 10 1 1 X 77 77 GLY N N 70 108.393 111.860 -3.467 1
1 840 . 10 1 1 X 78 78 GLY H H 71 8.263 8.482 -0.219 1
1 841 . 10 1 1 X 78 78 GLY HA2 H 71 4.205 4.132 0.073 1
1 842 . 10 1 1 X 78 78 GLY HA3 H 71 4.092 4.142 -0.050 1
1 843 . 10 1 1 X 78 78 GLY CA C 71 45.581 44.582 0.999 1
1 844 . 10 1 1 X 78 78 GLY N N 71 108.388 111.589 -3.201 1
1 845 . 10 1 1 X 79 79 PRO HA H 72 4.199 4.295 -0.096 1
1 852 . 10 1 1 X 79 79 PRO C C 72 178.000 177.701 0.299 1
1 853 . 10 1 1 X 79 79 PRO CA C 72 65.568 65.393 0.175 1
1 854 . 10 1 1 X 79 79 PRO CB C 72 32.864 31.663 1.201 1
1 857 . 10 1 1 X 80 80 GLU H H 73 9.283 8.593 0.690 1
1 858 . 10 1 1 X 80 80 GLU HA H 73 3.833 4.173 -0.340 1
1 863 . 10 1 1 X 80 80 GLU C C 73 179.587 177.766 1.821 1
1 864 . 10 1 1 X 80 80 GLU CA C 73 61.125 58.040 3.085 1
1 865 . 10 1 1 X 80 80 GLU CB C 73 28.576 29.198 -0.622 1
1 867 . 10 1 1 X 80 80 GLU N N 73 117.078 116.842 0.236 1
1 868 . 10 1 1 X 81 81 GLY H H 74 7.926 8.030 -0.104 1
1 869 . 10 1 1 X 81 81 GLY HA2 H 74 3.964 3.865 0.099 1
1 870 . 10 1 1 X 81 81 GLY HA3 H 74 3.914 3.870 0.044 1
1 871 . 10 1 1 X 81 81 GLY C C 74 176.538 176.209 0.329 1
1 872 . 10 1 1 X 81 81 GLY CA C 74 47.084 46.616 0.468 1
1 873 . 10 1 1 X 81 81 GLY N N 74 108.577 108.362 0.215 1
1 874 . 10 1 1 X 82 82 ILE H H 75 7.593 8.305 -0.712 1
1 875 . 10 1 1 X 82 82 ILE HA H 75 3.873 3.883 -0.010 1
1 885 . 10 1 1 X 82 82 ILE C C 75 178.147 178.158 -0.011 1
1 886 . 10 1 1 X 82 82 ILE CA C 75 65.342 64.783 0.559 1
1 887 . 10 1 1 X 82 82 ILE CB C 75 38.163 37.380 0.783 1
1 891 . 10 1 1 X 82 82 ILE N N 75 123.572 120.047 3.525 1
1 892 . 10 1 1 X 83 83 VAL H H 76 8.135 7.695 0.440 1
1 893 . 10 1 1 X 83 83 VAL HA H 76 3.575 3.994 -0.419 1
1 901 . 10 1 1 X 83 83 VAL C C 76 177.094 177.841 -0.747 1
1 902 . 10 1 1 X 83 83 VAL CA C 76 68.153 65.783 2.370 1
1 903 . 10 1 1 X 83 83 VAL CB C 76 31.653 31.352 0.301 1
1 906 . 10 1 1 X 83 83 VAL N N 76 118.553 118.512 0.041 1
1 907 . 10 1 1 X 84 84 LYS H H 77 7.803 7.807 -0.004 1
1 908 . 10 1 1 X 84 84 LYS HA H 77 4.006 3.982 0.024 1
1 917 . 10 1 1 X 84 84 LYS C C 77 178.064 178.264 -0.200 1
1 918 . 10 1 1 X 84 84 LYS CA C 77 60.516 59.233 1.283 1
1 919 . 10 1 1 X 84 84 LYS CB C 77 32.849 32.147 0.702 1
1 923 . 10 1 1 X 84 84 LYS N N 77 119.572 120.782 -1.210 1
1 924 . 10 1 1 X 85 85 GLU H H 78 7.629 7.594 0.035 1
1 925 . 10 1 1 X 85 85 GLU HA H 78 4.246 4.165 0.081 1
1 930 . 10 1 1 X 85 85 GLU C C 78 179.834 179.626 0.208 1
1 931 . 10 1 1 X 85 85 GLU CA C 78 59.752 59.372 0.380 1
1 932 . 10 1 1 X 85 85 GLU CB C 78 29.189 29.593 -0.404 1
1 934 . 10 1 1 X 85 85 GLU N N 78 118.366 119.066 -0.700 1
1 935 . 10 1 1 X 86 86 ILE H H 79 8.432 8.430 0.002 1
1 936 . 10 1 1 X 86 86 ILE HA H 79 3.781 3.737 0.044 1
1 946 . 10 1 1 X 86 86 ILE C C 79 177.578 178.099 -0.521 1
1 947 . 10 1 1 X 86 86 ILE CA C 79 65.454 65.235 0.219 1
1 948 . 10 1 1 X 86 86 ILE CB C 79 37.940 37.707 0.233 1
1 952 . 10 1 1 X 86 86 ILE N N 79 118.975 120.339 -1.364 1
1 953 . 10 1 1 X 87 87 LYS H H 80 9.096 8.707 0.389 1
1 954 . 10 1 1 X 87 87 LYS HA H 80 3.958 4.037 -0.079 1
1 963 . 10 1 1 X 87 87 LYS C C 80 180.285 178.814 1.471 1
1 964 . 10 1 1 X 87 87 LYS CA C 80 60.290 59.269 1.021 1
1 965 . 10 1 1 X 87 87 LYS CB C 80 33.299 32.392 0.907 1
1 969 . 10 1 1 X 87 87 LYS N N 80 119.805 120.651 -0.846 1
1 970 . 10 1 1 X 88 88 GLU H H 81 8.508 8.084 0.424 1
1 971 . 10 1 1 X 88 88 GLU HA H 81 4.099 4.134 -0.035 1
1 976 . 10 1 1 X 88 88 GLU C C 81 179.195 178.895 0.300 1
1 977 . 10 1 1 X 88 88 GLU CA C 81 59.632 59.113 0.519 1
1 978 . 10 1 1 X 88 88 GLU CB C 81 29.649 29.635 0.014 1
1 980 . 10 1 1 X 88 88 GLU N N 81 118.920 119.460 -0.540 1
1 981 . 10 1 1 X 89 89 TRP H H 82 8.682 8.154 0.528 1
1 982 . 10 1 1 X 89 89 TRP HA H 82 4.201 4.266 -0.065 1
1 991 . 10 1 1 X 89 89 TRP C C 82 179.807 178.744 1.063 1
1 992 . 10 1 1 X 89 89 TRP CA C 82 63.110 60.882 2.228 1
1 993 . 10 1 1 X 89 89 TRP CB C 82 29.285 29.626 -0.341 1
1 999 . 10 1 1 X 89 89 TRP N N 82 122.152 122.403 -0.251 1
1 1001 . 10 1 1 X 90 90 ARG H H 83 9.025 8.142 0.883 1
1 1002 . 10 1 1 X 90 90 ARG HA H 83 3.295 3.986 -0.691 1
1 1009 . 10 1 1 X 90 90 ARG C C 83 178.120 178.957 -0.837 1
1 1010 . 10 1 1 X 90 90 ARG CA C 83 60.895 59.661 1.234 1
1 1011 . 10 1 1 X 90 90 ARG CB C 83 28.668 30.167 -1.499 1
1 1014 . 10 1 1 X 90 90 ARG N N 83 118.380 119.018 -0.638 1
1 1015 . 10 1 1 X 91 91 ALA H H 84 7.759 8.066 -0.307 1
1 1016 . 10 1 1 X 91 91 ALA HA H 84 4.151 4.106 0.045 1
1 1020 . 10 1 1 X 91 91 ALA C C 84 181.466 179.975 1.491 1
1 1021 . 10 1 1 X 91 91 ALA CA C 84 55.217 55.047 0.170 1
1 1022 . 10 1 1 X 91 91 ALA CB C 84 18.175 17.884 0.291 1
1 1023 . 10 1 1 X 91 91 ALA N N 84 120.210 122.182 -1.972 1
1 1024 . 10 1 1 X 92 92 ALA H H 85 7.943 7.831 0.112 1
1 1025 . 10 1 1 X 92 92 ALA HA H 85 4.081 4.029 0.052 1
1 1029 . 10 1 1 X 92 92 ALA C C 85 178.324 180.089 -1.765 1
1 1030 . 10 1 1 X 92 92 ALA CA C 85 54.244 54.446 -0.202 1
1 1031 . 10 1 1 X 92 92 ALA CB C 85 18.306 18.202 0.104 1
1 1032 . 10 1 1 X 92 92 ALA N N 85 120.470 120.527 -0.057 1
1 1033 . 10 1 1 X 93 93 ASN H H 86 7.005 7.490 -0.485 1
1 1034 . 10 1 1 X 93 93 ASN HA H 86 4.475 4.452 0.023 1
1 1039 . 10 1 1 X 93 93 ASN C C 86 174.108 175.378 -1.270 1
1 1040 . 10 1 1 X 93 93 ASN CA C 86 53.347 53.222 0.125 1
1 1041 . 10 1 1 X 93 93 ASN CB C 86 39.379 38.534 0.845 1
1 1043 . 10 1 1 X 93 93 ASN N N 86 113.372 114.301 -0.929 1
1 1045 . 10 1 1 X 94 94 GLY H H 87 7.535 8.661 -1.126 1
1 1046 . 10 1 1 X 94 94 GLY HA2 H 87 3.810 3.858 -0.048 1
1 1047 . 10 1 1 X 94 94 GLY HA3 H 87 3.810 3.869 -0.059 1
1 1048 . 10 1 1 X 94 94 GLY C C 87 174.481 173.852 0.629 1
1 1049 . 10 1 1 X 94 94 GLY CA C 87 47.230 46.143 1.087 1
1 1050 . 10 1 1 X 94 94 GLY N N 87 108.152 107.472 0.680 1
1 1051 . 10 1 1 X 95 95 LYS H H 88 8.037 7.900 0.137 1
1 1052 . 10 1 1 X 95 95 LYS HA H 88 4.654 4.817 -0.163 1
1 1061 . 10 1 1 X 95 95 LYS CA C 88 53.357 53.099 0.258 1
1 1062 . 10 1 1 X 95 95 LYS CB C 88 32.741 34.154 -1.413 1
1 1066 . 10 1 1 X 95 95 LYS N N 88 119.147 119.536 -0.389 1
1 1067 . 10 1 1 X 96 96 PRO HA H 89 4.275 4.357 -0.082 1
1 1074 . 10 1 1 X 96 96 PRO C C 89 176.696 176.465 0.231 1
1 1075 . 10 1 1 X 96 96 PRO CA C 89 63.482 63.461 0.021 1
1 1076 . 10 1 1 X 96 96 PRO CB C 89 32.981 31.976 1.005 1
1 1079 . 10 1 1 X 97 97 GLY H H 90 8.336 8.344 -0.008 1
1 1080 . 10 1 1 X 97 97 GLY HA2 H 90 4.074 3.732 0.342 1
1 1081 . 10 1 1 X 97 97 GLY HA3 H 90 3.615 3.868 -0.253 1
1 1082 . 10 1 1 X 97 97 GLY C C 90 173.388 173.086 0.302 1
1 1083 . 10 1 1 X 97 97 GLY CA C 90 43.347 45.033 -1.686 1
1 1084 . 10 1 1 X 97 97 GLY N N 90 110.343 108.373 1.970 1
1 1085 . 10 1 1 X 98 98 PHE H H 91 7.749 7.939 -0.190 1
1 1086 . 10 1 1 X 98 98 PHE HA H 91 4.527 5.478 -0.951 1
1 1094 . 10 1 1 X 98 98 PHE C C 91 177.021 175.529 1.492 1
1 1095 . 10 1 1 X 98 98 PHE CA C 91 59.184 56.524 2.660 1
1 1096 . 10 1 1 X 98 98 PHE CB C 91 40.005 43.109 -3.104 1
1 1102 . 10 1 1 X 98 98 PHE N N 91 116.151 116.345 -0.194 1
1 1103 . 10 1 1 X 99 99 LYS H H 92 8.531 8.576 -0.045 1
1 1104 . 10 1 1 X 99 99 LYS HA H 92 4.178 4.502 -0.324 1
1 1113 . 10 1 1 X 99 99 LYS C C 92 176.542 176.364 0.178 1
1 1114 . 10 1 1 X 99 99 LYS CA C 92 57.292 56.036 1.256 1
1 1115 . 10 1 1 X 99 99 LYS CB C 92 32.875 33.474 -0.599 1
1 1119 . 10 1 1 X 99 99 LYS N N 92 123.602 120.516 3.086 1
1 1120 . 10 1 1 X 100 100 GLN H H 93 8.633 8.616 0.017 1
1 1121 . 10 1 1 X 100 100 GLN HA H 93 4.297 5.004 -0.707 1
1 1128 . 10 1 1 X 100 100 GLN C C 93 175.318 176.138 -0.820 1
1 1129 . 10 1 1 X 100 100 GLN CA C 93 56.479 54.937 1.542 1
1 1130 . 10 1 1 X 100 100 GLN CB C 93 29.751 30.345 -0.594 1
1 1133 . 10 1 1 X 100 100 GLN N N 93 125.089 120.378 4.711 1
1 12 . 11 1 1 X 10 10 LEU H H 3 8.121 8.579 -0.458 1
1 13 . 11 1 1 X 10 10 LEU HA H 3 4.240 4.994 -0.754 1
1 23 . 11 1 1 X 10 10 LEU C C 3 176.909 176.483 0.426 1
1 24 . 11 1 1 X 10 10 LEU CA C 3 54.748 53.530 1.218 1
1 25 . 11 1 1 X 10 10 LEU CB C 3 41.272 43.232 -1.960 1
1 29 . 11 1 1 X 10 10 LEU N N 3 123.688 122.459 1.229 1
1 30 . 11 1 1 X 11 11 LYS H H 4 7.677 8.846 -1.169 1
1 31 . 11 1 1 X 11 11 LYS HA H 4 4.404 4.554 -0.150 1
1 40 . 11 1 1 X 11 11 LYS C C 4 176.184 176.901 -0.717 1
1 41 . 11 1 1 X 11 11 LYS CA C 4 55.828 54.575 1.253 1
1 42 . 11 1 1 X 11 11 LYS CB C 4 33.482 33.732 -0.250 1
1 46 . 11 1 1 X 11 11 LYS N N 4 122.221 122.067 0.154 1
1 47 . 11 1 1 X 12 12 ASN H H 5 8.538 8.768 -0.230 1
1 48 . 11 1 1 X 12 12 ASN HA H 5 4.685 5.144 -0.459 1
1 53 . 11 1 1 X 12 12 ASN C C 5 174.925 175.135 -0.210 1
1 54 . 11 1 1 X 12 12 ASN CA C 5 55.721 54.035 1.686 1
1 55 . 11 1 1 X 12 12 ASN CB C 5 40.409 41.117 -0.708 1
1 57 . 11 1 1 X 12 12 ASN N N 5 116.610 118.108 -1.498 1
1 59 . 11 1 1 X 13 13 SER H H 6 8.144 7.763 0.381 1
1 60 . 11 1 1 X 13 13 SER HA H 6 4.819 4.854 -0.035 1
1 63 . 11 1 1 X 13 13 SER C C 6 175.123 175.065 0.058 1
1 64 . 11 1 1 X 13 13 SER CA C 6 56.778 55.822 0.956 1
1 65 . 11 1 1 X 13 13 SER CB C 6 65.949 66.990 -1.041 1
1 66 . 11 1 1 X 13 13 SER N N 6 112.138 110.755 1.383 1
1 67 . 11 1 1 X 14 14 ILE H H 7 9.318 8.859 0.459 1
1 68 . 11 1 1 X 14 14 ILE HA H 7 3.966 4.317 -0.351 1
1 78 . 11 1 1 X 14 14 ILE C C 7 175.537 177.350 -1.813 1
1 79 . 11 1 1 X 14 14 ILE CA C 7 64.956 63.772 1.184 1
1 80 . 11 1 1 X 14 14 ILE CB C 7 37.062 38.053 -0.991 1
1 84 . 11 1 1 X 14 14 ILE N N 7 126.034 124.490 1.544 1
1 85 . 11 1 1 X 15 15 SER H H 8 7.504 7.994 -0.490 1
1 86 . 11 1 1 X 15 15 SER HA H 8 4.694 4.258 0.436 1
1 89 . 11 1 1 X 15 15 SER C C 8 174.278 176.267 -1.989 1
1 90 . 11 1 1 X 15 15 SER CA C 8 59.481 61.266 -1.785 1
1 91 . 11 1 1 X 15 15 SER CB C 8 63.241 63.115 0.126 1
1 92 . 11 1 1 X 15 15 SER N N 8 112.517 116.677 -4.160 1
1 93 . 11 1 1 X 16 16 ASP H H 9 7.783 7.523 0.260 1
1 94 . 11 1 1 X 16 16 ASP HA H 9 4.791 4.710 0.081 1
1 97 . 11 1 1 X 16 16 ASP C C 9 175.976 176.220 -0.244 1
1 98 . 11 1 1 X 16 16 ASP CA C 9 55.243 54.259 0.984 1
1 99 . 11 1 1 X 16 16 ASP CB C 9 43.327 41.318 2.009 1
1 100 . 11 1 1 X 16 16 ASP N N 9 117.795 120.554 -2.759 1
1 101 . 11 1 1 X 17 17 TYR H H 10 8.279 7.733 0.546 1
1 102 . 11 1 1 X 17 17 TYR HA H 10 4.962 4.714 0.248 1
1 109 . 11 1 1 X 17 17 TYR C C 10 177.535 175.908 1.627 1
1 110 . 11 1 1 X 17 17 TYR CA C 10 58.573 58.087 0.486 1
1 111 . 11 1 1 X 17 17 TYR CB C 10 41.015 39.111 1.904 1
1 116 . 11 1 1 X 17 17 TYR N N 10 120.484 118.224 2.260 1
1 117 . 11 1 1 X 18 18 THR H H 11 8.796 8.781 0.015 1
1 118 . 11 1 1 X 18 18 THR HA H 11 5.040 5.269 -0.229 1
1 123 . 11 1 1 X 18 18 THR C C 11 176.099 176.043 0.056 1
1 124 . 11 1 1 X 18 18 THR CA C 11 60.775 60.737 0.038 1
1 125 . 11 1 1 X 18 18 THR CB C 11 71.041 70.873 0.168 1
1 127 . 11 1 1 X 18 18 THR N N 11 112.143 117.231 -5.088 1
1 128 . 11 1 1 X 19 19 GLU H H 12 9.173 9.055 0.118 1
1 129 . 11 1 1 X 19 19 GLU HA H 12 2.757 3.442 -0.685 1
1 134 . 11 1 1 X 19 19 GLU C C 12 178.378 178.745 -0.367 1
1 135 . 11 1 1 X 19 19 GLU CA C 12 60.906 58.935 1.971 1
1 136 . 11 1 1 X 19 19 GLU CB C 12 29.442 28.842 0.600 1
1 138 . 11 1 1 X 19 19 GLU N N 12 122.386 121.224 1.162 1
1 139 . 11 1 1 X 20 20 ALA H H 13 8.356 8.143 0.213 1
1 140 . 11 1 1 X 20 20 ALA HA H 13 4.069 4.137 -0.068 1
1 144 . 11 1 1 X 20 20 ALA C C 13 181.816 179.497 2.319 1
1 145 . 11 1 1 X 20 20 ALA CA C 13 55.388 54.938 0.450 1
1 146 . 11 1 1 X 20 20 ALA CB C 13 18.308 18.524 -0.216 1
1 147 . 11 1 1 X 20 20 ALA N N 13 118.695 122.227 -3.532 1
1 148 . 11 1 1 X 21 21 GLU H H 14 8.013 8.119 -0.106 1
1 149 . 11 1 1 X 21 21 GLU HA H 14 4.131 4.093 0.038 1
1 154 . 11 1 1 X 21 21 GLU C C 14 179.649 179.201 0.448 1
1 155 . 11 1 1 X 21 21 GLU CA C 14 58.916 59.110 -0.194 1
1 156 . 11 1 1 X 21 21 GLU CB C 14 31.632 29.617 2.015 1
1 158 . 11 1 1 X 21 21 GLU N N 14 118.978 119.058 -0.080 1
1 159 . 11 1 1 X 22 22 PHE H H 15 8.635 8.312 0.323 1
1 160 . 11 1 1 X 22 22 PHE HA H 15 4.049 4.102 -0.053 1
1 167 . 11 1 1 X 22 22 PHE C C 15 177.402 177.489 -0.087 1
1 168 . 11 1 1 X 22 22 PHE CA C 15 62.183 61.164 1.019 1
1 169 . 11 1 1 X 22 22 PHE CB C 15 40.545 38.780 1.765 1
1 174 . 11 1 1 X 22 22 PHE N N 15 124.639 121.813 2.826 1
1 175 . 11 1 1 X 23 23 VAL H H 16 8.647 8.526 0.121 1
1 176 . 11 1 1 X 23 23 VAL HA H 16 3.416 3.730 -0.314 1
1 184 . 11 1 1 X 23 23 VAL C C 16 177.798 177.784 0.014 1
1 185 . 11 1 1 X 23 23 VAL CA C 16 67.917 66.248 1.669 1
1 186 . 11 1 1 X 23 23 VAL CB C 16 31.579 31.429 0.150 1
1 189 . 11 1 1 X 23 23 VAL N N 16 119.817 118.877 0.940 1
1 190 . 11 1 1 X 24 24 GLN H H 17 7.569 8.154 -0.585 1
1 191 . 11 1 1 X 24 24 GLN HA H 17 3.943 3.964 -0.021 1
1 198 . 11 1 1 X 24 24 GLN C C 17 178.313 178.026 0.287 1
1 199 . 11 1 1 X 24 24 GLN CA C 17 59.289 59.217 0.072 1
1 200 . 11 1 1 X 24 24 GLN CB C 17 27.814 28.110 -0.296 1
1 203 . 11 1 1 X 24 24 GLN N N 17 117.658 121.134 -3.476 1
1 205 . 11 1 1 X 25 25 LEU H H 18 7.512 7.817 -0.305 1
1 206 . 11 1 1 X 25 25 LEU HA H 18 4.136 4.001 0.135 1
1 216 . 11 1 1 X 25 25 LEU C C 18 178.440 177.944 0.496 1
1 217 . 11 1 1 X 25 25 LEU CA C 18 58.651 58.143 0.508 1
1 218 . 11 1 1 X 25 25 LEU CB C 18 40.626 41.332 -0.706 1
1 222 . 11 1 1 X 25 25 LEU N N 18 122.037 120.752 1.285 1
1 223 . 11 1 1 X 26 26 LEU H H 19 7.761 8.117 -0.356 1
1 224 . 11 1 1 X 26 26 LEU HA H 19 3.748 3.588 0.160 1
1 234 . 11 1 1 X 26 26 LEU C C 19 180.080 179.110 0.970 1
1 235 . 11 1 1 X 26 26 LEU CA C 19 58.041 57.652 0.389 1
1 236 . 11 1 1 X 26 26 LEU CB C 19 41.009 41.105 -0.096 1
1 240 . 11 1 1 X 26 26 LEU N N 19 118.502 118.208 0.294 1
1 241 . 11 1 1 X 27 27 LYS H H 20 8.357 8.281 0.076 1
1 242 . 11 1 1 X 27 27 LYS HA H 20 4.019 4.194 -0.175 1
1 251 . 11 1 1 X 27 27 LYS C C 20 179.559 179.634 -0.075 1
1 252 . 11 1 1 X 27 27 LYS CA C 20 59.648 59.906 -0.258 1
1 253 . 11 1 1 X 27 27 LYS CB C 20 31.995 31.995 0.000 1
1 257 . 11 1 1 X 27 27 LYS N N 20 120.427 118.090 2.337 1
1 258 . 11 1 1 X 28 28 GLU H H 21 8.123 7.615 0.508 1
1 259 . 11 1 1 X 28 28 GLU HA H 21 4.082 4.037 0.045 1
1 264 . 11 1 1 X 28 28 GLU C C 21 179.063 179.551 -0.488 1
1 265 . 11 1 1 X 28 28 GLU CA C 21 59.406 59.000 0.406 1
1 266 . 11 1 1 X 28 28 GLU CB C 21 29.146 29.659 -0.513 1
1 268 . 11 1 1 X 28 28 GLU N N 21 122.374 119.955 2.419 1
1 269 . 11 1 1 X 29 29 ILE H H 22 8.049 8.417 -0.368 1
1 270 . 11 1 1 X 29 29 ILE HA H 22 3.343 3.714 -0.371 1
1 280 . 11 1 1 X 29 29 ILE C C 22 177.151 177.816 -0.665 1
1 281 . 11 1 1 X 29 29 ILE CA C 22 66.435 65.542 0.893 1
1 282 . 11 1 1 X 29 29 ILE CB C 22 37.954 37.534 0.420 1
1 286 . 11 1 1 X 29 29 ILE N N 22 120.195 121.158 -0.963 1
1 287 . 11 1 1 X 30 30 GLU H H 23 7.820 8.379 -0.559 1
1 288 . 11 1 1 X 30 30 GLU HA H 23 3.983 3.757 0.226 1
1 293 . 11 1 1 X 30 30 GLU C C 23 178.990 179.126 -0.136 1
1 294 . 11 1 1 X 30 30 GLU CA C 23 59.460 59.808 -0.348 1
1 295 . 11 1 1 X 30 30 GLU CB C 23 30.012 29.384 0.628 1
1 297 . 11 1 1 X 30 30 GLU N N 23 118.917 118.935 -0.018 1
1 298 . 11 1 1 X 31 31 LYS H H 24 7.678 7.607 0.071 1
1 299 . 11 1 1 X 31 31 LYS HA H 24 4.059 3.944 0.115 1
1 308 . 11 1 1 X 31 31 LYS C C 24 179.231 178.961 0.270 1
1 309 . 11 1 1 X 31 31 LYS CA C 24 59.152 59.757 -0.605 1
1 310 . 11 1 1 X 31 31 LYS CB C 24 32.712 32.407 0.305 1
1 314 . 11 1 1 X 31 31 LYS N N 24 118.807 119.878 -1.071 1
1 315 . 11 1 1 X 32 32 GLU H H 25 8.182 8.040 0.142 1
1 316 . 11 1 1 X 32 32 GLU HA H 25 4.309 4.083 0.226 1
1 321 . 11 1 1 X 32 32 GLU C C 25 177.897 178.993 -1.096 1
1 322 . 11 1 1 X 32 32 GLU CA C 25 57.449 58.744 -1.295 1
1 323 . 11 1 1 X 32 32 GLU CB C 25 29.522 28.790 0.732 1
1 325 . 11 1 1 X 32 32 GLU N N 25 118.578 117.232 1.346 1
1 326 . 11 1 1 X 33 33 ASN H H 26 8.343 8.302 0.041 1
1 327 . 11 1 1 X 33 33 ASN HA H 26 4.608 4.424 0.184 1
1 330 . 11 1 1 X 33 33 ASN C C 26 176.524 177.668 -1.144 1
1 331 . 11 1 1 X 33 33 ASN CA C 26 55.463 56.166 -0.703 1
1 332 . 11 1 1 X 33 33 ASN CB C 26 39.074 38.750 0.324 1
1 333 . 11 1 1 X 33 33 ASN N N 26 118.483 119.457 -0.974 1
1 334 . 11 1 1 X 34 34 VAL H H 27 7.434 8.233 -0.799 1
1 335 . 11 1 1 X 34 34 VAL HA H 27 4.182 3.529 0.653 1
1 343 . 11 1 1 X 34 34 VAL C C 27 176.315 177.081 -0.766 1
1 344 . 11 1 1 X 34 34 VAL CA C 27 62.829 66.273 -3.444 1
1 345 . 11 1 1 X 34 34 VAL CB C 27 32.178 31.376 0.802 1
1 348 . 11 1 1 X 34 34 VAL N N 27 114.036 118.932 -4.896 1
1 349 . 11 1 1 X 35 35 ALA H H 28 7.648 7.528 0.120 1
1 350 . 11 1 1 X 35 35 ALA HA H 28 4.346 4.317 0.029 1
1 354 . 11 1 1 X 35 35 ALA C C 28 177.126 176.634 0.492 1
1 355 . 11 1 1 X 35 35 ALA CA C 28 52.712 51.943 0.769 1
1 356 . 11 1 1 X 35 35 ALA CB C 28 19.915 19.019 0.896 1
1 357 . 11 1 1 X 35 35 ALA N N 28 124.066 120.223 3.843 1
1 358 . 11 1 1 X 36 36 ALA H H 29 8.337 7.851 0.486 1
1 359 . 11 1 1 X 36 36 ALA HA H 29 4.260 3.924 0.336 1
1 363 . 11 1 1 X 36 36 ALA C C 29 177.999 176.192 1.807 1
1 364 . 11 1 1 X 36 36 ALA CA C 29 53.660 52.806 0.854 1
1 365 . 11 1 1 X 36 36 ALA CB C 29 19.175 17.494 1.681 1
1 366 . 11 1 1 X 36 36 ALA N N 29 121.695 120.390 1.305 1
1 367 . 11 1 1 X 37 37 THR H H 30 8.093 7.810 0.283 1
1 368 . 11 1 1 X 37 37 THR HA H 30 4.533 4.748 -0.215 1
1 373 . 11 1 1 X 37 37 THR C C 30 174.715 173.944 0.771 1
1 374 . 11 1 1 X 37 37 THR CA C 30 60.860 60.344 0.516 1
1 375 . 11 1 1 X 37 37 THR CB C 30 70.424 70.257 0.167 1
1 377 . 11 1 1 X 37 37 THR N N 30 110.112 108.673 1.439 1
1 378 . 11 1 1 X 38 38 ASP H H 31 8.488 8.422 0.066 1
1 379 . 11 1 1 X 38 38 ASP HA H 31 4.685 4.865 -0.180 1
1 382 . 11 1 1 X 38 38 ASP C C 31 175.896 177.084 -1.188 1
1 383 . 11 1 1 X 38 38 ASP CA C 31 54.704 54.421 0.283 1
1 384 . 11 1 1 X 38 38 ASP CB C 31 41.389 43.133 -1.744 1
1 385 . 11 1 1 X 38 38 ASP N N 31 121.899 120.264 1.635 1
1 386 . 11 1 1 X 39 39 ASP H H 32 8.368 8.319 0.049 1
1 387 . 11 1 1 X 39 39 ASP HA H 32 4.459 4.407 0.052 1
1 390 . 11 1 1 X 39 39 ASP C C 32 177.499 178.568 -1.069 1
1 391 . 11 1 1 X 39 39 ASP CA C 32 56.443 57.165 -0.722 1
1 392 . 11 1 1 X 39 39 ASP CB C 32 40.737 40.744 -0.007 1
1 393 . 11 1 1 X 39 39 ASP N N 32 118.770 120.503 -1.733 1
1 394 . 11 1 1 X 40 40 VAL H H 33 7.963 8.012 -0.049 1
1 395 . 11 1 1 X 40 40 VAL HA H 33 3.800 3.856 -0.056 1
1 403 . 11 1 1 X 40 40 VAL C C 33 177.362 177.417 -0.055 1
1 404 . 11 1 1 X 40 40 VAL CA C 33 64.970 64.852 0.118 1
1 405 . 11 1 1 X 40 40 VAL CB C 33 32.256 31.493 0.763 1
1 408 . 11 1 1 X 40 40 VAL N N 33 119.409 118.820 0.589 1
1 409 . 11 1 1 X 41 41 LEU H H 34 8.508 7.699 0.809 1
1 410 . 11 1 1 X 41 41 LEU HA H 34 3.857 3.898 -0.041 1
1 420 . 11 1 1 X 41 41 LEU C C 34 177.633 177.977 -0.344 1
1 421 . 11 1 1 X 41 41 LEU CA C 34 58.428 58.495 -0.067 1
1 422 . 11 1 1 X 41 41 LEU CB C 34 41.755 41.207 0.548 1
1 426 . 11 1 1 X 41 41 LEU N N 34 122.150 122.202 -0.052 1
1 427 . 11 1 1 X 42 42 ASP H H 35 8.236 8.072 0.164 1
1 428 . 11 1 1 X 42 42 ASP HA H 35 4.370 4.437 -0.067 1
1 431 . 11 1 1 X 42 42 ASP C C 35 179.155 178.932 0.223 1
1 432 . 11 1 1 X 42 42 ASP CA C 35 57.925 56.972 0.953 1
1 433 . 11 1 1 X 42 42 ASP CB C 35 40.417 40.931 -0.514 1
1 434 . 11 1 1 X 42 42 ASP N N 35 116.374 118.504 -2.130 1
1 435 . 11 1 1 X 43 43 VAL H H 36 7.320 7.690 -0.370 1
1 436 . 11 1 1 X 43 43 VAL HA H 36 3.782 3.651 0.131 1
1 444 . 11 1 1 X 43 43 VAL C C 36 179.309 178.176 1.133 1
1 445 . 11 1 1 X 43 43 VAL CA C 36 66.080 66.606 -0.526 1
1 446 . 11 1 1 X 43 43 VAL CB C 36 32.245 31.624 0.621 1
1 449 . 11 1 1 X 43 43 VAL N N 36 119.754 119.897 -0.143 1
1 450 . 11 1 1 X 44 44 LEU H H 37 8.122 8.596 -0.474 1
1 451 . 11 1 1 X 44 44 LEU HA H 37 4.008 4.057 -0.049 1
1 461 . 11 1 1 X 44 44 LEU C C 37 179.518 179.353 0.165 1
1 462 . 11 1 1 X 44 44 LEU CA C 37 58.048 57.830 0.218 1
1 463 . 11 1 1 X 44 44 LEU CB C 37 42.374 41.583 0.791 1
1 467 . 11 1 1 X 44 44 LEU N N 37 120.608 118.840 1.768 1
1 468 . 11 1 1 X 45 45 LEU H H 38 8.898 8.355 0.543 1
1 469 . 11 1 1 X 45 45 LEU HA H 38 4.030 3.962 0.068 1
1 479 . 11 1 1 X 45 45 LEU C C 38 179.166 179.579 -0.413 1
1 480 . 11 1 1 X 45 45 LEU CA C 38 58.184 58.259 -0.075 1
1 481 . 11 1 1 X 45 45 LEU CB C 38 41.506 41.467 0.039 1
1 485 . 11 1 1 X 45 45 LEU N N 38 119.199 118.775 0.424 1
1 486 . 11 1 1 X 46 46 GLU H H 39 7.964 8.169 -0.205 1
1 487 . 11 1 1 X 46 46 GLU HA H 39 4.066 4.068 -0.002 1
1 492 . 11 1 1 X 46 46 GLU C C 39 178.995 178.957 0.038 1
1 493 . 11 1 1 X 46 46 GLU CA C 39 59.769 59.590 0.179 1
1 494 . 11 1 1 X 46 46 GLU CB C 39 29.577 29.273 0.304 1
1 496 . 11 1 1 X 46 46 GLU N N 39 119.334 118.234 1.100 1
1 497 . 11 1 1 X 47 47 HIS H H 40 8.009 8.618 -0.609 1
1 498 . 11 1 1 X 47 47 HIS HA H 40 4.416 4.402 0.014 1
1 503 . 11 1 1 X 47 47 HIS C C 40 176.115 177.034 -0.919 1
1 504 . 11 1 1 X 47 47 HIS CA C 40 60.151 58.930 1.221 1
1 505 . 11 1 1 X 47 47 HIS CB C 40 30.389 30.525 -0.136 1
1 508 . 11 1 1 X 47 47 HIS N N 40 119.610 120.238 -0.628 1
1 509 . 11 1 1 X 48 48 PHE H H 41 8.711 8.544 0.167 1
1 510 . 11 1 1 X 48 48 PHE HA H 41 3.808 4.181 -0.373 1
1 518 . 11 1 1 X 48 48 PHE C C 41 178.023 177.333 0.690 1
1 519 . 11 1 1 X 48 48 PHE CA C 41 62.654 61.361 1.293 1
1 520 . 11 1 1 X 48 48 PHE CB C 41 39.408 39.300 0.108 1
1 526 . 11 1 1 X 48 48 PHE N N 41 118.110 120.245 -2.135 1
1 527 . 11 1 1 X 49 49 VAL H H 42 8.439 8.205 0.234 1
1 528 . 11 1 1 X 49 49 VAL HA H 42 3.359 3.831 -0.472 1
1 536 . 11 1 1 X 49 49 VAL C C 42 178.340 177.565 0.775 1
1 537 . 11 1 1 X 49 49 VAL CA C 42 67.276 64.427 2.849 1
1 538 . 11 1 1 X 49 49 VAL CB C 42 32.235 31.355 0.880 1
1 541 . 11 1 1 X 49 49 VAL N N 42 121.301 118.695 2.606 1
1 542 . 11 1 1 X 50 50 LYS H H 43 8.091 8.780 -0.689 1
1 543 . 11 1 1 X 50 50 LYS HA H 43 3.973 4.306 -0.333 1
1 552 . 11 1 1 X 50 50 LYS C C 43 178.985 178.202 0.783 1
1 553 . 11 1 1 X 50 50 LYS CA C 43 59.580 58.835 0.745 1
1 554 . 11 1 1 X 50 50 LYS CB C 43 32.784 31.769 1.015 1
1 558 . 11 1 1 X 50 50 LYS N N 43 120.887 119.775 1.112 1
1 559 . 11 1 1 X 51 51 ILE H H 44 8.347 7.306 1.041 1
1 560 . 11 1 1 X 51 51 ILE HA H 44 4.159 3.879 0.280 1
1 570 . 11 1 1 X 51 51 ILE C C 44 178.121 177.999 0.122 1
1 571 . 11 1 1 X 51 51 ILE CA C 44 62.328 64.244 -1.916 1
1 572 . 11 1 1 X 51 51 ILE CB C 44 37.576 37.629 -0.053 1
1 576 . 11 1 1 X 51 51 ILE N N 44 111.354 116.969 -5.615 1
1 577 . 11 1 1 X 52 52 THR H H 45 7.588 7.570 0.018 1
1 578 . 11 1 1 X 52 52 THR HA H 45 3.683 4.178 -0.495 1
1 583 . 11 1 1 X 52 52 THR C C 45 176.285 175.264 1.021 1
1 584 . 11 1 1 X 52 52 THR CA C 45 65.803 63.372 2.431 1
1 585 . 11 1 1 X 52 52 THR CB C 45 69.689 69.877 -0.188 1
1 587 . 11 1 1 X 52 52 THR N N 45 109.646 112.608 -2.962 1
1 588 . 11 1 1 X 53 53 GLU H H 46 7.366 8.230 -0.864 1
1 589 . 11 1 1 X 53 53 GLU HA H 46 3.836 4.050 -0.214 1
1 594 . 11 1 1 X 53 53 GLU C C 46 173.418 174.792 -1.374 1
1 595 . 11 1 1 X 53 53 GLU CA C 46 57.709 57.572 0.137 1
1 596 . 11 1 1 X 53 53 GLU CB C 46 29.067 27.493 1.574 1
1 598 . 11 1 1 X 53 53 GLU N N 46 112.606 114.897 -2.291 1
1 599 . 11 1 1 X 54 54 HIS H H 47 7.127 7.194 -0.067 1
1 600 . 11 1 1 X 54 54 HIS HA H 47 3.070 3.247 -0.177 1
1 605 . 11 1 1 X 54 54 HIS CA C 47 55.826 54.858 0.968 1
1 606 . 11 1 1 X 54 54 HIS CB C 47 32.124 30.909 1.215 1
1 609 . 11 1 1 X 54 54 HIS N N 47 119.651 119.535 0.116 1
1 610 . 11 1 1 X 55 55 PRO HA H 48 4.143 4.383 -0.240 1
1 617 . 11 1 1 X 55 55 PRO CA C 48 64.843 63.927 0.916 1
1 618 . 11 1 1 X 55 55 PRO CB C 48 32.350 31.606 0.744 1
1 621 . 11 1 1 X 56 56 ASP H H 49 10.605 7.506 3.099 1
1 622 . 11 1 1 X 56 56 ASP HA H 49 4.712 5.042 -0.330 1
1 625 . 11 1 1 X 56 56 ASP C C 49 178.187 177.382 0.805 1
1 626 . 11 1 1 X 56 56 ASP CA C 49 54.989 53.873 1.116 1
1 627 . 11 1 1 X 56 56 ASP CB C 49 40.657 42.085 -1.428 1
1 628 . 11 1 1 X 56 56 ASP N N 49 121.022 118.161 2.861 1
1 629 . 11 1 1 X 57 57 GLY H H 50 8.011 8.094 -0.083 1
1 630 . 11 1 1 X 57 57 GLY HA2 H 50 4.122 3.923 0.199 1
1 631 . 11 1 1 X 57 57 GLY HA3 H 50 3.701 4.013 -0.312 1
1 632 . 11 1 1 X 57 57 GLY C C 50 175.337 176.246 -0.909 1
1 633 . 11 1 1 X 57 57 GLY CA C 50 47.435 47.572 -0.137 1
1 634 . 11 1 1 X 57 57 GLY N N 50 108.190 109.335 -1.145 1
1 635 . 11 1 1 X 58 58 THR H H 51 9.047 8.250 0.797 1
1 636 . 11 1 1 X 58 58 THR HA H 51 3.730 4.276 -0.546 1
1 641 . 11 1 1 X 58 58 THR C C 51 176.082 177.303 -1.221 1
1 642 . 11 1 1 X 58 58 THR CA C 51 64.795 65.111 -0.316 1
1 643 . 11 1 1 X 58 58 THR CB C 51 68.398 68.501 -0.103 1
1 645 . 11 1 1 X 58 58 THR N N 51 114.996 116.260 -1.264 1
1 646 . 11 1 1 X 59 59 ALA H H 52 8.142 8.223 -0.081 1
1 647 . 11 1 1 X 59 59 ALA HA H 52 4.205 4.156 0.049 1
1 651 . 11 1 1 X 59 59 ALA C C 52 179.373 180.035 -0.662 1
1 652 . 11 1 1 X 59 59 ALA CA C 52 55.625 55.178 0.447 1
1 653 . 11 1 1 X 59 59 ALA CB C 52 18.416 18.085 0.331 1
1 654 . 11 1 1 X 59 59 ALA N N 52 125.565 124.658 0.907 1
1 655 . 11 1 1 X 60 60 LEU H H 53 7.399 8.690 -1.291 1
1 656 . 11 1 1 X 60 60 LEU HA H 53 3.835 4.026 -0.191 1
1 666 . 11 1 1 X 60 60 LEU C C 53 178.601 179.255 -0.654 1
1 667 . 11 1 1 X 60 60 LEU CA C 53 58.031 57.989 0.042 1
1 668 . 11 1 1 X 60 60 LEU CB C 53 43.487 42.457 1.030 1
1 672 . 11 1 1 X 60 60 LEU N N 53 114.763 118.380 -3.617 1
1 673 . 11 1 1 X 61 61 ILE H H 54 6.855 7.643 -0.788 1
1 674 . 11 1 1 X 61 61 ILE HA H 54 3.518 3.480 0.038 1
1 684 . 11 1 1 X 61 61 ILE C C 54 178.595 177.761 0.834 1
1 685 . 11 1 1 X 61 61 ILE CA C 54 62.989 65.026 -2.037 1
1 686 . 11 1 1 X 61 61 ILE CB C 54 38.424 37.455 0.969 1
1 690 . 11 1 1 X 61 61 ILE N N 54 114.394 119.184 -4.790 1
1 691 . 11 1 1 X 62 62 TYR H H 55 7.489 8.332 -0.843 1
1 692 . 11 1 1 X 62 62 TYR HA H 55 4.243 4.309 -0.066 1
1 699 . 11 1 1 X 62 62 TYR C C 55 178.634 178.870 -0.236 1
1 700 . 11 1 1 X 62 62 TYR CA C 55 61.518 60.626 0.892 1
1 701 . 11 1 1 X 62 62 TYR CB C 55 37.566 37.725 -0.159 1
1 706 . 11 1 1 X 62 62 TYR N N 55 117.898 119.860 -1.962 1
1 707 . 11 1 1 X 63 63 GLU H H 56 8.659 9.034 -0.375 1
1 708 . 11 1 1 X 63 63 GLU HA H 56 4.441 4.139 0.302 1
1 713 . 11 1 1 X 63 63 GLU C C 56 177.785 178.841 -1.056 1
1 714 . 11 1 1 X 63 63 GLU CA C 56 57.658 59.390 -1.732 1
1 715 . 11 1 1 X 63 63 GLU CB C 56 29.034 29.145 -0.111 1
1 717 . 11 1 1 X 63 63 GLU N N 56 119.392 117.696 1.696 1
1 718 . 11 1 1 X 64 64 ALA H H 57 7.164 8.347 -1.183 1
1 719 . 11 1 1 X 64 64 ALA HA H 57 4.021 4.216 -0.195 1
1 723 . 11 1 1 X 64 64 ALA C C 57 180.327 180.169 0.158 1
1 724 . 11 1 1 X 64 64 ALA CA C 57 55.759 54.993 0.766 1
1 725 . 11 1 1 X 64 64 ALA CB C 57 18.615 17.869 0.746 1
1 726 . 11 1 1 X 64 64 ALA N N 57 121.778 122.268 -0.490 1
1 727 . 11 1 1 X 65 65 ALA H H 58 8.076 8.165 -0.089 1
1 728 . 11 1 1 X 65 65 ALA HA H 58 4.137 3.976 0.161 1
1 732 . 11 1 1 X 65 65 ALA C C 58 180.248 179.562 0.686 1
1 733 . 11 1 1 X 65 65 ALA CA C 58 55.104 55.006 0.098 1
1 734 . 11 1 1 X 65 65 ALA CB C 58 18.071 18.147 -0.076 1
1 735 . 11 1 1 X 65 65 ALA N N 58 120.307 119.656 0.651 1
1 736 . 11 1 1 X 66 66 ALA H H 59 7.893 7.746 0.147 1
1 737 . 11 1 1 X 66 66 ALA HA H 59 4.170 4.043 0.127 1
1 741 . 11 1 1 X 66 66 ALA C C 59 180.838 179.714 1.124 1
1 742 . 11 1 1 X 66 66 ALA CA C 59 54.800 55.071 -0.271 1
1 743 . 11 1 1 X 66 66 ALA CB C 59 18.184 17.962 0.222 1
1 744 . 11 1 1 X 66 66 ALA N N 59 122.126 119.699 2.427 1
1 745 . 11 1 1 X 67 67 ARG H H 60 8.139 8.581 -0.442 1
1 746 . 11 1 1 X 67 67 ARG HA H 60 4.065 4.001 0.064 1
1 753 . 11 1 1 X 67 67 ARG C C 60 178.779 178.391 0.388 1
1 754 . 11 1 1 X 67 67 ARG CA C 60 59.282 59.659 -0.377 1
1 755 . 11 1 1 X 67 67 ARG CB C 60 30.863 29.711 1.152 1
1 758 . 11 1 1 X 67 67 ARG N N 60 118.948 118.178 0.770 1
1 759 . 11 1 1 X 68 68 ALA H H 61 7.891 8.415 -0.524 1
1 760 . 11 1 1 X 68 68 ALA HA H 61 4.141 4.126 0.015 1
1 764 . 11 1 1 X 68 68 ALA C C 61 179.329 179.751 -0.422 1
1 765 . 11 1 1 X 68 68 ALA CA C 61 54.340 54.821 -0.481 1
1 766 . 11 1 1 X 68 68 ALA CB C 61 18.528 18.405 0.123 1
1 767 . 11 1 1 X 68 68 ALA N N 61 121.473 122.374 -0.901 1
1 768 . 11 1 1 X 69 69 ALA H H 62 7.663 7.911 -0.248 1
1 769 . 11 1 1 X 69 69 ALA HA H 62 4.133 4.064 0.069 1
1 773 . 11 1 1 X 69 69 ALA C C 62 178.591 177.991 0.600 1
1 774 . 11 1 1 X 69 69 ALA CA C 62 53.863 55.111 -1.248 1
1 775 . 11 1 1 X 69 69 ALA CB C 62 18.438 19.091 -0.653 1
1 776 . 11 1 1 X 69 69 ALA N N 62 118.937 119.381 -0.444 1
1 777 . 11 1 1 X 70 70 ALA H H 63 7.488 7.421 0.067 1
1 778 . 11 1 1 X 70 70 ALA HA H 63 4.280 4.578 -0.298 1
1 782 . 11 1 1 X 70 70 ALA C C 63 177.318 176.065 1.253 1
1 783 . 11 1 1 X 70 70 ALA CA C 63 52.981 50.441 2.540 1
1 784 . 11 1 1 X 70 70 ALA CB C 63 19.324 19.173 0.151 1
1 785 . 11 1 1 X 70 70 ALA N N 63 118.642 118.895 -0.253 1
1 786 . 11 1 1 X 71 71 ASN H H 64 7.631 8.489 -0.858 1
1 787 . 11 1 1 X 71 71 ASN HA H 64 5.077 5.333 -0.256 1
1 792 . 11 1 1 X 71 71 ASN CA C 64 50.877 51.369 -0.492 1
1 793 . 11 1 1 X 71 71 ASN CB C 64 39.243 38.554 0.689 1
1 795 . 11 1 1 X 71 71 ASN N N 64 116.008 120.531 -4.523 1
1 797 . 11 1 1 X 72 72 PRO HA H 65 4.468 4.514 -0.046 1
1 804 . 11 1 1 X 72 72 PRO CA C 65 64.454 63.623 0.831 1
1 805 . 11 1 1 X 72 72 PRO CB C 65 32.007 32.103 -0.096 1
1 808 . 11 1 1 X 73 73 GLY H H 66 8.608 7.921 0.687 1
1 809 . 11 1 1 X 73 73 GLY HA2 H 66 3.978 4.071 -0.093 1
1 810 . 11 1 1 X 73 73 GLY HA3 H 66 3.978 4.072 -0.094 1
1 811 . 11 1 1 X 73 73 GLY C C 66 175.054 173.122 1.932 1
1 812 . 11 1 1 X 73 73 GLY CA C 66 45.521 44.700 0.821 1
1 813 . 11 1 1 X 73 73 GLY N N 66 109.435 108.815 0.620 1
1 814 . 11 1 1 X 74 74 GLY H H 67 8.085 8.323 -0.238 1
1 815 . 11 1 1 X 74 74 GLY HA2 H 67 4.132 4.195 -0.063 1
1 816 . 11 1 1 X 74 74 GLY HA3 H 67 3.896 4.196 -0.300 1
1 817 . 11 1 1 X 74 74 GLY C C 67 174.008 171.820 2.188 1
1 818 . 11 1 1 X 74 74 GLY CA C 67 45.450 45.026 0.424 1
1 819 . 11 1 1 X 74 74 GLY N N 67 108.472 110.008 -1.536 1
1 820 . 11 1 1 X 75 75 ASP H H 68 8.307 8.348 -0.041 1
1 821 . 11 1 1 X 75 75 ASP HA H 68 4.646 5.153 -0.507 1
1 824 . 11 1 1 X 75 75 ASP C C 68 176.933 176.736 0.197 1
1 825 . 11 1 1 X 75 75 ASP CA C 68 54.226 52.815 1.411 1
1 826 . 11 1 1 X 75 75 ASP CB C 68 41.486 44.488 -3.002 1
1 827 . 11 1 1 X 75 75 ASP N N 68 119.941 121.953 -2.012 1
1 828 . 11 1 1 X 76 76 GLY H H 69 8.502 8.558 -0.056 1
1 829 . 11 1 1 X 76 76 GLY HA2 H 69 3.966 4.038 -0.072 1
1 830 . 11 1 1 X 76 76 GLY HA3 H 69 3.951 4.040 -0.089 1
1 831 . 11 1 1 X 76 76 GLY C C 69 174.771 174.967 -0.196 1
1 832 . 11 1 1 X 76 76 GLY CA C 69 45.744 45.201 0.543 1
1 833 . 11 1 1 X 76 76 GLY N N 69 109.061 111.001 -1.940 1
1 834 . 11 1 1 X 77 77 GLY H H 70 8.367 7.944 0.423 1
1 835 . 11 1 1 X 77 77 GLY HA2 H 70 4.092 3.972 0.120 1
1 836 . 11 1 1 X 77 77 GLY HA3 H 70 3.920 3.975 -0.055 1
1 837 . 11 1 1 X 77 77 GLY C C 70 174.782 173.947 0.835 1
1 838 . 11 1 1 X 77 77 GLY CA C 70 45.327 46.960 -1.633 1
1 839 . 11 1 1 X 77 77 GLY N N 70 108.393 107.949 0.444 1
1 840 . 11 1 1 X 78 78 GLY H H 71 8.263 8.138 0.125 1
1 841 . 11 1 1 X 78 78 GLY HA2 H 71 4.205 4.152 0.053 1
1 842 . 11 1 1 X 78 78 GLY HA3 H 71 4.092 4.167 -0.075 1
1 843 . 11 1 1 X 78 78 GLY CA C 71 45.581 45.027 0.554 1
1 844 . 11 1 1 X 78 78 GLY N N 71 108.388 111.712 -3.324 1
1 845 . 11 1 1 X 79 79 PRO HA H 72 4.199 4.265 -0.066 1
1 852 . 11 1 1 X 79 79 PRO C C 72 178.000 177.869 0.131 1
1 853 . 11 1 1 X 79 79 PRO CA C 72 65.568 65.109 0.459 1
1 854 . 11 1 1 X 79 79 PRO CB C 72 32.864 31.844 1.020 1
1 857 . 11 1 1 X 80 80 GLU H H 73 9.283 8.498 0.785 1
1 858 . 11 1 1 X 80 80 GLU HA H 73 3.833 4.178 -0.345 1
1 863 . 11 1 1 X 80 80 GLU C C 73 179.587 177.819 1.768 1
1 864 . 11 1 1 X 80 80 GLU CA C 73 61.125 57.895 3.230 1
1 865 . 11 1 1 X 80 80 GLU CB C 73 28.576 29.206 -0.630 1
1 867 . 11 1 1 X 80 80 GLU N N 73 117.078 116.982 0.096 1
1 868 . 11 1 1 X 81 81 GLY H H 74 7.926 7.666 0.260 1
1 869 . 11 1 1 X 81 81 GLY HA2 H 74 3.964 3.885 0.079 1
1 870 . 11 1 1 X 81 81 GLY HA3 H 74 3.914 3.899 0.015 1
1 871 . 11 1 1 X 81 81 GLY C C 74 176.538 176.309 0.229 1
1 872 . 11 1 1 X 81 81 GLY CA C 74 47.084 46.484 0.600 1
1 873 . 11 1 1 X 81 81 GLY N N 74 108.577 108.358 0.219 1
1 874 . 11 1 1 X 82 82 ILE H H 75 7.593 8.163 -0.570 1
1 875 . 11 1 1 X 82 82 ILE HA H 75 3.873 3.873 0.000 1
1 885 . 11 1 1 X 82 82 ILE C C 75 178.147 178.154 -0.007 1
1 886 . 11 1 1 X 82 82 ILE CA C 75 65.342 64.752 0.590 1
1 887 . 11 1 1 X 82 82 ILE CB C 75 38.163 37.230 0.933 1
1 891 . 11 1 1 X 82 82 ILE N N 75 123.572 119.798 3.774 1
1 892 . 11 1 1 X 83 83 VAL H H 76 8.135 7.759 0.376 1
1 893 . 11 1 1 X 83 83 VAL HA H 76 3.575 4.113 -0.538 1
1 901 . 11 1 1 X 83 83 VAL C C 76 177.094 177.972 -0.878 1
1 902 . 11 1 1 X 83 83 VAL CA C 76 68.153 65.898 2.255 1
1 903 . 11 1 1 X 83 83 VAL CB C 76 31.653 31.524 0.129 1
1 906 . 11 1 1 X 83 83 VAL N N 76 118.553 118.838 -0.285 1
1 907 . 11 1 1 X 84 84 LYS H H 77 7.803 8.103 -0.300 1
1 908 . 11 1 1 X 84 84 LYS HA H 77 4.006 4.023 -0.017 1
1 917 . 11 1 1 X 84 84 LYS C C 77 178.064 177.741 0.323 1
1 918 . 11 1 1 X 84 84 LYS CA C 77 60.516 59.417 1.099 1
1 919 . 11 1 1 X 84 84 LYS CB C 77 32.849 32.127 0.722 1
1 923 . 11 1 1 X 84 84 LYS N N 77 119.572 121.164 -1.592 1
1 924 . 11 1 1 X 85 85 GLU H H 78 7.629 7.700 -0.071 1
1 925 . 11 1 1 X 85 85 GLU HA H 78 4.246 4.243 0.003 1
1 930 . 11 1 1 X 85 85 GLU C C 78 179.834 179.479 0.355 1
1 931 . 11 1 1 X 85 85 GLU CA C 78 59.752 59.007 0.745 1
1 932 . 11 1 1 X 85 85 GLU CB C 78 29.189 29.552 -0.363 1
1 934 . 11 1 1 X 85 85 GLU N N 78 118.366 118.899 -0.533 1
1 935 . 11 1 1 X 86 86 ILE H H 79 8.432 8.335 0.097 1
1 936 . 11 1 1 X 86 86 ILE HA H 79 3.781 3.554 0.227 1
1 946 . 11 1 1 X 86 86 ILE C C 79 177.578 178.083 -0.505 1
1 947 . 11 1 1 X 86 86 ILE CA C 79 65.454 64.840 0.614 1
1 948 . 11 1 1 X 86 86 ILE CB C 79 37.940 37.841 0.099 1
1 952 . 11 1 1 X 86 86 ILE N N 79 118.975 120.653 -1.678 1
1 953 . 11 1 1 X 87 87 LYS H H 80 9.096 8.504 0.592 1
1 954 . 11 1 1 X 87 87 LYS HA H 80 3.958 3.756 0.202 1
1 963 . 11 1 1 X 87 87 LYS C C 80 180.285 178.759 1.526 1
1 964 . 11 1 1 X 87 87 LYS CA C 80 60.290 59.043 1.247 1
1 965 . 11 1 1 X 87 87 LYS CB C 80 33.299 32.008 1.291 1
1 969 . 11 1 1 X 87 87 LYS N N 80 119.805 120.384 -0.579 1
1 970 . 11 1 1 X 88 88 GLU H H 81 8.508 8.054 0.454 1
1 971 . 11 1 1 X 88 88 GLU HA H 81 4.099 4.087 0.012 1
1 976 . 11 1 1 X 88 88 GLU C C 81 179.195 178.893 0.302 1
1 977 . 11 1 1 X 88 88 GLU CA C 81 59.632 59.170 0.462 1
1 978 . 11 1 1 X 88 88 GLU CB C 81 29.649 29.504 0.145 1
1 980 . 11 1 1 X 88 88 GLU N N 81 118.920 119.284 -0.364 1
1 981 . 11 1 1 X 89 89 TRP H H 82 8.682 8.032 0.650 1
1 982 . 11 1 1 X 89 89 TRP HA H 82 4.201 4.280 -0.079 1
1 991 . 11 1 1 X 89 89 TRP C C 82 179.807 177.901 1.906 1
1 992 . 11 1 1 X 89 89 TRP CA C 82 63.110 60.764 2.346 1
1 993 . 11 1 1 X 89 89 TRP CB C 82 29.285 29.716 -0.431 1
1 999 . 11 1 1 X 89 89 TRP N N 82 122.152 122.261 -0.109 1
1 1001 . 11 1 1 X 90 90 ARG H H 83 9.025 8.471 0.554 1
1 1002 . 11 1 1 X 90 90 ARG HA H 83 3.295 3.939 -0.644 1
1 1009 . 11 1 1 X 90 90 ARG C C 83 178.120 177.945 0.175 1
1 1010 . 11 1 1 X 90 90 ARG CA C 83 60.895 59.746 1.149 1
1 1011 . 11 1 1 X 90 90 ARG CB C 83 28.668 29.660 -0.992 1
1 1014 . 11 1 1 X 90 90 ARG N N 83 118.380 119.657 -1.277 1
1 1015 . 11 1 1 X 91 91 ALA H H 84 7.759 8.144 -0.385 1
1 1016 . 11 1 1 X 91 91 ALA HA H 84 4.151 4.081 0.070 1
1 1020 . 11 1 1 X 91 91 ALA C C 84 181.466 179.873 1.593 1
1 1021 . 11 1 1 X 91 91 ALA CA C 84 55.217 54.837 0.380 1
1 1022 . 11 1 1 X 91 91 ALA CB C 84 18.175 18.030 0.145 1
1 1023 . 11 1 1 X 91 91 ALA N N 84 120.210 120.445 -0.235 1
1 1024 . 11 1 1 X 92 92 ALA H H 85 7.943 7.947 -0.004 1
1 1025 . 11 1 1 X 92 92 ALA HA H 85 4.081 4.011 0.070 1
1 1029 . 11 1 1 X 92 92 ALA C C 85 178.324 179.502 -1.178 1
1 1030 . 11 1 1 X 92 92 ALA CA C 85 54.244 55.120 -0.876 1
1 1031 . 11 1 1 X 92 92 ALA CB C 85 18.306 17.684 0.622 1
1 1032 . 11 1 1 X 92 92 ALA N N 85 120.470 120.428 0.042 1
1 1033 . 11 1 1 X 93 93 ASN H H 86 7.005 7.913 -0.908 1
1 1034 . 11 1 1 X 93 93 ASN HA H 86 4.475 4.425 0.050 1
1 1039 . 11 1 1 X 93 93 ASN C C 86 174.108 175.309 -1.201 1
1 1040 . 11 1 1 X 93 93 ASN CA C 86 53.347 53.412 -0.065 1
1 1041 . 11 1 1 X 93 93 ASN CB C 86 39.379 38.480 0.899 1
1 1043 . 11 1 1 X 93 93 ASN N N 86 113.372 113.856 -0.484 1
1 1045 . 11 1 1 X 94 94 GLY H H 87 7.535 7.854 -0.319 1
1 1046 . 11 1 1 X 94 94 GLY HA2 H 87 3.810 3.927 -0.117 1
1 1047 . 11 1 1 X 94 94 GLY HA3 H 87 3.810 3.933 -0.123 1
1 1048 . 11 1 1 X 94 94 GLY C C 87 174.481 174.039 0.442 1
1 1049 . 11 1 1 X 94 94 GLY CA C 87 47.230 45.379 1.851 1
1 1050 . 11 1 1 X 94 94 GLY N N 87 108.152 106.946 1.206 1
1 1051 . 11 1 1 X 95 95 LYS H H 88 8.037 8.283 -0.246 1
1 1052 . 11 1 1 X 95 95 LYS HA H 88 4.654 4.741 -0.087 1
1 1061 . 11 1 1 X 95 95 LYS CA C 88 53.357 52.976 0.381 1
1 1062 . 11 1 1 X 95 95 LYS CB C 88 32.741 33.026 -0.285 1
1 1066 . 11 1 1 X 95 95 LYS N N 88 119.147 120.307 -1.160 1
1 1067 . 11 1 1 X 96 96 PRO HA H 89 4.275 4.519 -0.244 1
1 1074 . 11 1 1 X 96 96 PRO C C 89 176.696 177.010 -0.314 1
1 1075 . 11 1 1 X 96 96 PRO CA C 89 63.482 63.032 0.450 1
1 1076 . 11 1 1 X 96 96 PRO CB C 89 32.981 32.319 0.662 1
1 1079 . 11 1 1 X 97 97 GLY H H 90 8.336 8.366 -0.030 1
1 1080 . 11 1 1 X 97 97 GLY HA2 H 90 4.074 3.756 0.318 1
1 1081 . 11 1 1 X 97 97 GLY HA3 H 90 3.615 3.764 -0.149 1
1 1082 . 11 1 1 X 97 97 GLY C C 90 173.388 173.335 0.053 1
1 1083 . 11 1 1 X 97 97 GLY CA C 90 43.347 44.114 -0.767 1
1 1084 . 11 1 1 X 97 97 GLY N N 90 110.343 108.194 2.149 1
1 1085 . 11 1 1 X 98 98 PHE H H 91 7.749 8.011 -0.262 1
1 1086 . 11 1 1 X 98 98 PHE HA H 91 4.527 4.759 -0.232 1
1 1094 . 11 1 1 X 98 98 PHE C C 91 177.021 175.831 1.190 1
1 1095 . 11 1 1 X 98 98 PHE CA C 91 59.184 57.940 1.244 1
1 1096 . 11 1 1 X 98 98 PHE CB C 91 40.005 40.529 -0.524 1
1 1102 . 11 1 1 X 98 98 PHE N N 91 116.151 120.622 -4.471 1
1 1103 . 11 1 1 X 99 99 LYS H H 92 8.531 9.084 -0.553 1
1 1104 . 11 1 1 X 99 99 LYS HA H 92 4.178 4.611 -0.433 1
1 1113 . 11 1 1 X 99 99 LYS C C 92 176.542 176.522 0.020 1
1 1114 . 11 1 1 X 99 99 LYS CA C 92 57.292 55.955 1.337 1
1 1115 . 11 1 1 X 99 99 LYS CB C 92 32.875 33.652 -0.777 1
1 1119 . 11 1 1 X 99 99 LYS N N 92 123.602 120.310 3.292 1
1 1120 . 11 1 1 X 100 100 GLN H H 93 8.633 8.678 -0.045 1
1 1121 . 11 1 1 X 100 100 GLN HA H 93 4.297 4.638 -0.341 1
1 1128 . 11 1 1 X 100 100 GLN C C 93 175.318 176.163 -0.845 1
1 1129 . 11 1 1 X 100 100 GLN CA C 93 56.479 55.363 1.116 1
1 1130 . 11 1 1 X 100 100 GLN CB C 93 29.751 30.178 -0.427 1
1 1133 . 11 1 1 X 100 100 GLN N N 93 125.089 120.555 4.534 1
1 12 . 12 1 1 X 10 10 LEU H H 3 8.121 8.646 -0.525 1
1 13 . 12 1 1 X 10 10 LEU HA H 3 4.240 5.480 -1.240 1
1 23 . 12 1 1 X 10 10 LEU C C 3 176.909 176.218 0.691 1
1 24 . 12 1 1 X 10 10 LEU CA C 3 54.748 53.709 1.039 1
1 25 . 12 1 1 X 10 10 LEU CB C 3 41.272 43.254 -1.982 1
1 29 . 12 1 1 X 10 10 LEU N N 3 123.688 123.896 -0.208 1
1 30 . 12 1 1 X 11 11 LYS H H 4 7.677 8.820 -1.143 1
1 31 . 12 1 1 X 11 11 LYS HA H 4 4.404 4.582 -0.178 1
1 40 . 12 1 1 X 11 11 LYS C C 4 176.184 176.946 -0.762 1
1 41 . 12 1 1 X 11 11 LYS CA C 4 55.828 54.543 1.285 1
1 42 . 12 1 1 X 11 11 LYS CB C 4 33.482 34.521 -1.039 1
1 46 . 12 1 1 X 11 11 LYS N N 4 122.221 123.001 -0.780 1
1 47 . 12 1 1 X 12 12 ASN H H 5 8.538 8.866 -0.328 1
1 48 . 12 1 1 X 12 12 ASN HA H 5 4.685 5.000 -0.315 1
1 53 . 12 1 1 X 12 12 ASN C C 5 174.925 175.049 -0.124 1
1 54 . 12 1 1 X 12 12 ASN CA C 5 55.721 53.796 1.925 1
1 55 . 12 1 1 X 12 12 ASN CB C 5 40.409 40.680 -0.271 1
1 57 . 12 1 1 X 12 12 ASN N N 5 116.610 118.139 -1.529 1
1 59 . 12 1 1 X 13 13 SER H H 6 8.144 7.676 0.468 1
1 60 . 12 1 1 X 13 13 SER HA H 6 4.819 4.761 0.058 1
1 63 . 12 1 1 X 13 13 SER C C 6 175.123 174.838 0.285 1
1 64 . 12 1 1 X 13 13 SER CA C 6 56.778 55.889 0.889 1
1 65 . 12 1 1 X 13 13 SER CB C 6 65.949 66.689 -0.740 1
1 66 . 12 1 1 X 13 13 SER N N 6 112.138 110.012 2.126 1
1 67 . 12 1 1 X 14 14 ILE H H 7 9.318 8.824 0.494 1
1 68 . 12 1 1 X 14 14 ILE HA H 7 3.966 4.257 -0.291 1
1 78 . 12 1 1 X 14 14 ILE C C 7 175.537 177.128 -1.591 1
1 79 . 12 1 1 X 14 14 ILE CA C 7 64.956 64.248 0.708 1
1 80 . 12 1 1 X 14 14 ILE CB C 7 37.062 37.773 -0.711 1
1 84 . 12 1 1 X 14 14 ILE N N 7 126.034 125.367 0.667 1
1 85 . 12 1 1 X 15 15 SER H H 8 7.504 7.941 -0.437 1
1 86 . 12 1 1 X 15 15 SER HA H 8 4.694 4.448 0.246 1
1 89 . 12 1 1 X 15 15 SER C C 8 174.278 175.154 -0.876 1
1 90 . 12 1 1 X 15 15 SER CA C 8 59.481 59.359 0.122 1
1 91 . 12 1 1 X 15 15 SER CB C 8 63.241 63.088 0.153 1
1 92 . 12 1 1 X 15 15 SER N N 8 112.517 116.646 -4.129 1
1 93 . 12 1 1 X 16 16 ASP H H 9 7.783 7.741 0.042 1
1 94 . 12 1 1 X 16 16 ASP HA H 9 4.791 4.727 0.064 1
1 97 . 12 1 1 X 16 16 ASP C C 9 175.976 175.879 0.097 1
1 98 . 12 1 1 X 16 16 ASP CA C 9 55.243 53.917 1.326 1
1 99 . 12 1 1 X 16 16 ASP CB C 9 43.327 41.349 1.978 1
1 100 . 12 1 1 X 16 16 ASP N N 9 117.795 121.002 -3.207 1
1 101 . 12 1 1 X 17 17 TYR H H 10 8.279 7.747 0.532 1
1 102 . 12 1 1 X 17 17 TYR HA H 10 4.962 5.080 -0.118 1
1 109 . 12 1 1 X 17 17 TYR C C 10 177.535 176.247 1.288 1
1 110 . 12 1 1 X 17 17 TYR CA C 10 58.573 57.295 1.278 1
1 111 . 12 1 1 X 17 17 TYR CB C 10 41.015 40.070 0.945 1
1 116 . 12 1 1 X 17 17 TYR N N 10 120.484 118.149 2.335 1
1 117 . 12 1 1 X 18 18 THR H H 11 8.796 8.880 -0.084 1
1 118 . 12 1 1 X 18 18 THR HA H 11 5.040 5.090 -0.050 1
1 123 . 12 1 1 X 18 18 THR C C 11 176.099 176.080 0.019 1
1 124 . 12 1 1 X 18 18 THR CA C 11 60.775 60.965 -0.190 1
1 125 . 12 1 1 X 18 18 THR CB C 11 71.041 70.965 0.076 1
1 127 . 12 1 1 X 18 18 THR N N 11 112.143 116.793 -4.650 1
1 128 . 12 1 1 X 19 19 GLU H H 12 9.173 9.042 0.131 1
1 129 . 12 1 1 X 19 19 GLU HA H 12 2.757 3.564 -0.807 1
1 134 . 12 1 1 X 19 19 GLU C C 12 178.378 178.753 -0.375 1
1 135 . 12 1 1 X 19 19 GLU CA C 12 60.906 58.902 2.004 1
1 136 . 12 1 1 X 19 19 GLU CB C 12 29.442 28.813 0.629 1
1 138 . 12 1 1 X 19 19 GLU N N 12 122.386 121.348 1.038 1
1 139 . 12 1 1 X 20 20 ALA H H 13 8.356 8.119 0.237 1
1 140 . 12 1 1 X 20 20 ALA HA H 13 4.069 4.145 -0.076 1
1 144 . 12 1 1 X 20 20 ALA C C 13 181.816 179.525 2.291 1
1 145 . 12 1 1 X 20 20 ALA CA C 13 55.388 54.941 0.447 1
1 146 . 12 1 1 X 20 20 ALA CB C 13 18.308 18.469 -0.161 1
1 147 . 12 1 1 X 20 20 ALA N N 13 118.695 122.205 -3.510 1
1 148 . 12 1 1 X 21 21 GLU H H 14 8.013 8.032 -0.019 1
1 149 . 12 1 1 X 21 21 GLU HA H 14 4.131 4.140 -0.009 1
1 154 . 12 1 1 X 21 21 GLU C C 14 179.649 179.367 0.282 1
1 155 . 12 1 1 X 21 21 GLU CA C 14 58.916 59.030 -0.114 1
1 156 . 12 1 1 X 21 21 GLU CB C 14 31.632 29.651 1.981 1
1 158 . 12 1 1 X 21 21 GLU N N 14 118.978 119.423 -0.445 1
1 159 . 12 1 1 X 22 22 PHE H H 15 8.635 8.402 0.233 1
1 160 . 12 1 1 X 22 22 PHE HA H 15 4.049 3.983 0.066 1
1 167 . 12 1 1 X 22 22 PHE C C 15 177.402 177.583 -0.181 1
1 168 . 12 1 1 X 22 22 PHE CA C 15 62.183 60.981 1.202 1
1 169 . 12 1 1 X 22 22 PHE CB C 15 40.545 38.749 1.796 1
1 174 . 12 1 1 X 22 22 PHE N N 15 124.639 122.302 2.337 1
1 175 . 12 1 1 X 23 23 VAL H H 16 8.647 8.434 0.213 1
1 176 . 12 1 1 X 23 23 VAL HA H 16 3.416 3.744 -0.328 1
1 184 . 12 1 1 X 23 23 VAL C C 16 177.798 177.768 0.030 1
1 185 . 12 1 1 X 23 23 VAL CA C 16 67.917 66.561 1.356 1
1 186 . 12 1 1 X 23 23 VAL CB C 16 31.579 31.091 0.488 1
1 189 . 12 1 1 X 23 23 VAL N N 16 119.817 118.525 1.292 1
1 190 . 12 1 1 X 24 24 GLN H H 17 7.569 7.953 -0.384 1
1 191 . 12 1 1 X 24 24 GLN HA H 17 3.943 3.953 -0.010 1
1 198 . 12 1 1 X 24 24 GLN C C 17 178.313 178.154 0.159 1
1 199 . 12 1 1 X 24 24 GLN CA C 17 59.289 59.000 0.289 1
1 200 . 12 1 1 X 24 24 GLN CB C 17 27.814 28.061 -0.247 1
1 203 . 12 1 1 X 24 24 GLN N N 17 117.658 120.777 -3.119 1
1 205 . 12 1 1 X 25 25 LEU H H 18 7.512 7.738 -0.226 1
1 206 . 12 1 1 X 25 25 LEU HA H 18 4.136 4.032 0.104 1
1 216 . 12 1 1 X 25 25 LEU C C 18 178.440 178.034 0.406 1
1 217 . 12 1 1 X 25 25 LEU CA C 18 58.651 58.098 0.553 1
1 218 . 12 1 1 X 25 25 LEU CB C 18 40.626 41.160 -0.534 1
1 222 . 12 1 1 X 25 25 LEU N N 18 122.037 121.015 1.022 1
1 223 . 12 1 1 X 26 26 LEU H H 19 7.761 8.474 -0.713 1
1 224 . 12 1 1 X 26 26 LEU HA H 19 3.748 3.610 0.138 1
1 234 . 12 1 1 X 26 26 LEU C C 19 180.080 179.047 1.033 1
1 235 . 12 1 1 X 26 26 LEU CA C 19 58.041 57.685 0.356 1
1 236 . 12 1 1 X 26 26 LEU CB C 19 41.009 41.259 -0.250 1
1 240 . 12 1 1 X 26 26 LEU N N 19 118.502 118.255 0.247 1
1 241 . 12 1 1 X 27 27 LYS H H 20 8.357 8.254 0.103 1
1 242 . 12 1 1 X 27 27 LYS HA H 20 4.019 3.995 0.024 1
1 251 . 12 1 1 X 27 27 LYS C C 20 179.559 179.422 0.137 1
1 252 . 12 1 1 X 27 27 LYS CA C 20 59.648 59.840 -0.192 1
1 253 . 12 1 1 X 27 27 LYS CB C 20 31.995 31.986 0.009 1
1 257 . 12 1 1 X 27 27 LYS N N 20 120.427 118.309 2.118 1
1 258 . 12 1 1 X 28 28 GLU H H 21 8.123 8.252 -0.129 1
1 259 . 12 1 1 X 28 28 GLU HA H 21 4.082 4.023 0.059 1
1 264 . 12 1 1 X 28 28 GLU C C 21 179.063 179.625 -0.562 1
1 265 . 12 1 1 X 28 28 GLU CA C 21 59.406 58.749 0.657 1
1 266 . 12 1 1 X 28 28 GLU CB C 21 29.146 29.669 -0.523 1
1 268 . 12 1 1 X 28 28 GLU N N 21 122.374 120.046 2.328 1
1 269 . 12 1 1 X 29 29 ILE H H 22 8.049 8.099 -0.050 1
1 270 . 12 1 1 X 29 29 ILE HA H 22 3.343 3.616 -0.273 1
1 280 . 12 1 1 X 29 29 ILE C C 22 177.151 177.547 -0.396 1
1 281 . 12 1 1 X 29 29 ILE CA C 22 66.435 65.279 1.156 1
1 282 . 12 1 1 X 29 29 ILE CB C 22 37.954 37.072 0.882 1
1 286 . 12 1 1 X 29 29 ILE N N 22 120.195 121.151 -0.956 1
1 287 . 12 1 1 X 30 30 GLU H H 23 7.820 8.314 -0.494 1
1 288 . 12 1 1 X 30 30 GLU HA H 23 3.983 3.770 0.213 1
1 293 . 12 1 1 X 30 30 GLU C C 23 178.990 178.802 0.188 1
1 294 . 12 1 1 X 30 30 GLU CA C 23 59.460 60.118 -0.658 1
1 295 . 12 1 1 X 30 30 GLU CB C 23 30.012 29.393 0.619 1
1 297 . 12 1 1 X 30 30 GLU N N 23 118.917 121.031 -2.114 1
1 298 . 12 1 1 X 31 31 LYS H H 24 7.678 8.103 -0.425 1
1 299 . 12 1 1 X 31 31 LYS HA H 24 4.059 4.002 0.057 1
1 308 . 12 1 1 X 31 31 LYS C C 24 179.231 179.343 -0.112 1
1 309 . 12 1 1 X 31 31 LYS CA C 24 59.152 59.892 -0.740 1
1 310 . 12 1 1 X 31 31 LYS CB C 24 32.712 32.369 0.343 1
1 314 . 12 1 1 X 31 31 LYS N N 24 118.807 119.728 -0.921 1
1 315 . 12 1 1 X 32 32 GLU H H 25 8.182 8.188 -0.006 1
1 316 . 12 1 1 X 32 32 GLU HA H 25 4.309 4.025 0.284 1
1 321 . 12 1 1 X 32 32 GLU C C 25 177.897 178.866 -0.969 1
1 322 . 12 1 1 X 32 32 GLU CA C 25 57.449 59.478 -2.029 1
1 323 . 12 1 1 X 32 32 GLU CB C 25 29.522 29.284 0.238 1
1 325 . 12 1 1 X 32 32 GLU N N 25 118.578 119.600 -1.022 1
1 326 . 12 1 1 X 33 33 ASN H H 26 8.343 8.178 0.165 1
1 327 . 12 1 1 X 33 33 ASN HA H 26 4.608 4.394 0.214 1
1 330 . 12 1 1 X 33 33 ASN C C 26 176.524 177.337 -0.813 1
1 331 . 12 1 1 X 33 33 ASN CA C 26 55.463 55.819 -0.356 1
1 332 . 12 1 1 X 33 33 ASN CB C 26 39.074 38.674 0.400 1
1 333 . 12 1 1 X 33 33 ASN N N 26 118.483 118.102 0.381 1
1 334 . 12 1 1 X 34 34 VAL H H 27 7.434 8.169 -0.735 1
1 335 . 12 1 1 X 34 34 VAL HA H 27 4.182 3.918 0.264 1
1 343 . 12 1 1 X 34 34 VAL C C 27 176.315 176.516 -0.201 1
1 344 . 12 1 1 X 34 34 VAL CA C 27 62.829 63.840 -1.011 1
1 345 . 12 1 1 X 34 34 VAL CB C 27 32.178 31.281 0.897 1
1 348 . 12 1 1 X 34 34 VAL N N 27 114.036 116.375 -2.339 1
1 349 . 12 1 1 X 35 35 ALA H H 28 7.648 7.481 0.167 1
1 350 . 12 1 1 X 35 35 ALA HA H 28 4.346 4.324 0.022 1
1 354 . 12 1 1 X 35 35 ALA C C 28 177.126 176.711 0.415 1
1 355 . 12 1 1 X 35 35 ALA CA C 28 52.712 51.613 1.099 1
1 356 . 12 1 1 X 35 35 ALA CB C 28 19.915 18.951 0.964 1
1 357 . 12 1 1 X 35 35 ALA N N 28 124.066 123.627 0.439 1
1 358 . 12 1 1 X 36 36 ALA H H 29 8.337 7.855 0.482 1
1 359 . 12 1 1 X 36 36 ALA HA H 29 4.260 3.996 0.264 1
1 363 . 12 1 1 X 36 36 ALA C C 29 177.999 176.083 1.916 1
1 364 . 12 1 1 X 36 36 ALA CA C 29 53.660 52.794 0.866 1
1 365 . 12 1 1 X 36 36 ALA CB C 29 19.175 17.359 1.816 1
1 366 . 12 1 1 X 36 36 ALA N N 29 121.695 120.591 1.104 1
1 367 . 12 1 1 X 37 37 THR H H 30 8.093 7.961 0.132 1
1 368 . 12 1 1 X 37 37 THR HA H 30 4.533 4.770 -0.237 1
1 373 . 12 1 1 X 37 37 THR C C 30 174.715 173.796 0.919 1
1 374 . 12 1 1 X 37 37 THR CA C 30 60.860 60.483 0.377 1
1 375 . 12 1 1 X 37 37 THR CB C 30 70.424 69.766 0.658 1
1 377 . 12 1 1 X 37 37 THR N N 30 110.112 107.721 2.391 1
1 378 . 12 1 1 X 38 38 ASP H H 31 8.488 8.831 -0.343 1
1 379 . 12 1 1 X 38 38 ASP HA H 31 4.685 4.766 -0.081 1
1 382 . 12 1 1 X 38 38 ASP C C 31 175.896 177.442 -1.546 1
1 383 . 12 1 1 X 38 38 ASP CA C 31 54.704 55.702 -0.998 1
1 384 . 12 1 1 X 38 38 ASP CB C 31 41.389 42.541 -1.152 1
1 385 . 12 1 1 X 38 38 ASP N N 31 121.899 120.798 1.101 1
1 386 . 12 1 1 X 39 39 ASP H H 32 8.368 8.943 -0.575 1
1 387 . 12 1 1 X 39 39 ASP HA H 32 4.459 4.276 0.183 1
1 390 . 12 1 1 X 39 39 ASP C C 32 177.499 178.653 -1.154 1
1 391 . 12 1 1 X 39 39 ASP CA C 32 56.443 57.550 -1.107 1
1 392 . 12 1 1 X 39 39 ASP CB C 32 40.737 40.582 0.155 1
1 393 . 12 1 1 X 39 39 ASP N N 32 118.770 121.278 -2.508 1
1 394 . 12 1 1 X 40 40 VAL H H 33 7.963 7.906 0.057 1
1 395 . 12 1 1 X 40 40 VAL HA H 33 3.800 3.651 0.149 1
1 403 . 12 1 1 X 40 40 VAL C C 33 177.362 177.616 -0.254 1
1 404 . 12 1 1 X 40 40 VAL CA C 33 64.970 66.198 -1.228 1
1 405 . 12 1 1 X 40 40 VAL CB C 33 32.256 31.054 1.202 1
1 408 . 12 1 1 X 40 40 VAL N N 33 119.409 119.200 0.209 1
1 409 . 12 1 1 X 41 41 LEU H H 34 8.508 7.980 0.528 1
1 410 . 12 1 1 X 41 41 LEU HA H 34 3.857 3.927 -0.070 1
1 420 . 12 1 1 X 41 41 LEU C C 34 177.633 178.170 -0.537 1
1 421 . 12 1 1 X 41 41 LEU CA C 34 58.428 58.607 -0.179 1
1 422 . 12 1 1 X 41 41 LEU CB C 34 41.755 41.273 0.482 1
1 426 . 12 1 1 X 41 41 LEU N N 34 122.150 121.338 0.812 1
1 427 . 12 1 1 X 42 42 ASP H H 35 8.236 8.612 -0.376 1
1 428 . 12 1 1 X 42 42 ASP HA H 35 4.370 4.386 -0.016 1
1 431 . 12 1 1 X 42 42 ASP C C 35 179.155 178.606 0.549 1
1 432 . 12 1 1 X 42 42 ASP CA C 35 57.925 57.790 0.135 1
1 433 . 12 1 1 X 42 42 ASP CB C 35 40.417 41.340 -0.923 1
1 434 . 12 1 1 X 42 42 ASP N N 35 116.374 118.916 -2.542 1
1 435 . 12 1 1 X 43 43 VAL H H 36 7.320 8.002 -0.682 1
1 436 . 12 1 1 X 43 43 VAL HA H 36 3.782 3.612 0.170 1
1 444 . 12 1 1 X 43 43 VAL C C 36 179.309 178.183 1.126 1
1 445 . 12 1 1 X 43 43 VAL CA C 36 66.080 66.720 -0.640 1
1 446 . 12 1 1 X 43 43 VAL CB C 36 32.245 31.809 0.436 1
1 449 . 12 1 1 X 43 43 VAL N N 36 119.754 119.588 0.166 1
1 450 . 12 1 1 X 44 44 LEU H H 37 8.122 8.589 -0.467 1
1 451 . 12 1 1 X 44 44 LEU HA H 37 4.008 4.094 -0.086 1
1 461 . 12 1 1 X 44 44 LEU C C 37 179.518 179.372 0.146 1
1 462 . 12 1 1 X 44 44 LEU CA C 37 58.048 57.826 0.222 1
1 463 . 12 1 1 X 44 44 LEU CB C 37 42.374 41.404 0.970 1
1 467 . 12 1 1 X 44 44 LEU N N 37 120.608 118.969 1.639 1
1 468 . 12 1 1 X 45 45 LEU H H 38 8.898 8.316 0.582 1
1 469 . 12 1 1 X 45 45 LEU HA H 38 4.030 3.953 0.077 1
1 479 . 12 1 1 X 45 45 LEU C C 38 179.166 179.725 -0.559 1
1 480 . 12 1 1 X 45 45 LEU CA C 38 58.184 58.302 -0.118 1
1 481 . 12 1 1 X 45 45 LEU CB C 38 41.506 41.688 -0.182 1
1 485 . 12 1 1 X 45 45 LEU N N 38 119.199 119.312 -0.113 1
1 486 . 12 1 1 X 46 46 GLU H H 39 7.964 8.667 -0.703 1
1 487 . 12 1 1 X 46 46 GLU HA H 39 4.066 4.133 -0.067 1
1 492 . 12 1 1 X 46 46 GLU C C 39 178.995 178.850 0.145 1
1 493 . 12 1 1 X 46 46 GLU CA C 39 59.769 59.169 0.600 1
1 494 . 12 1 1 X 46 46 GLU CB C 39 29.577 29.030 0.547 1
1 496 . 12 1 1 X 46 46 GLU N N 39 119.334 118.115 1.219 1
1 497 . 12 1 1 X 47 47 HIS H H 40 8.009 8.550 -0.541 1
1 498 . 12 1 1 X 47 47 HIS HA H 40 4.416 4.389 0.027 1
1 503 . 12 1 1 X 47 47 HIS C C 40 176.115 176.960 -0.845 1
1 504 . 12 1 1 X 47 47 HIS CA C 40 60.151 58.867 1.284 1
1 505 . 12 1 1 X 47 47 HIS CB C 40 30.389 30.663 -0.274 1
1 508 . 12 1 1 X 47 47 HIS N N 40 119.610 120.528 -0.918 1
1 509 . 12 1 1 X 48 48 PHE H H 41 8.711 8.570 0.141 1
1 510 . 12 1 1 X 48 48 PHE HA H 41 3.808 4.152 -0.344 1
1 518 . 12 1 1 X 48 48 PHE C C 41 178.023 177.318 0.705 1
1 519 . 12 1 1 X 48 48 PHE CA C 41 62.654 61.432 1.222 1
1 520 . 12 1 1 X 48 48 PHE CB C 41 39.408 39.302 0.106 1
1 526 . 12 1 1 X 48 48 PHE N N 41 118.110 120.231 -2.121 1
1 527 . 12 1 1 X 49 49 VAL H H 42 8.439 8.173 0.266 1
1 528 . 12 1 1 X 49 49 VAL HA H 42 3.359 3.683 -0.324 1
1 536 . 12 1 1 X 49 49 VAL C C 42 178.340 177.514 0.826 1
1 537 . 12 1 1 X 49 49 VAL CA C 42 67.276 64.439 2.837 1
1 538 . 12 1 1 X 49 49 VAL CB C 42 32.235 31.365 0.870 1
1 541 . 12 1 1 X 49 49 VAL N N 42 121.301 118.696 2.605 1
1 542 . 12 1 1 X 50 50 LYS H H 43 8.091 8.437 -0.346 1
1 543 . 12 1 1 X 50 50 LYS HA H 43 3.973 4.022 -0.049 1
1 552 . 12 1 1 X 50 50 LYS C C 43 178.985 178.155 0.830 1
1 553 . 12 1 1 X 50 50 LYS CA C 43 59.580 58.764 0.816 1
1 554 . 12 1 1 X 50 50 LYS CB C 43 32.784 32.041 0.743 1
1 558 . 12 1 1 X 50 50 LYS N N 43 120.887 119.797 1.090 1
1 559 . 12 1 1 X 51 51 ILE H H 44 8.347 7.558 0.789 1
1 560 . 12 1 1 X 51 51 ILE HA H 44 4.159 3.833 0.326 1
1 570 . 12 1 1 X 51 51 ILE C C 44 178.121 177.905 0.216 1
1 571 . 12 1 1 X 51 51 ILE CA C 44 62.328 64.492 -2.164 1
1 572 . 12 1 1 X 51 51 ILE CB C 44 37.576 37.337 0.239 1
1 576 . 12 1 1 X 51 51 ILE N N 44 111.354 116.390 -5.036 1
1 577 . 12 1 1 X 52 52 THR H H 45 7.588 7.613 -0.025 1
1 578 . 12 1 1 X 52 52 THR HA H 45 3.683 4.038 -0.355 1
1 583 . 12 1 1 X 52 52 THR C C 45 176.285 174.670 1.615 1
1 584 . 12 1 1 X 52 52 THR CA C 45 65.803 63.587 2.216 1
1 585 . 12 1 1 X 52 52 THR CB C 45 69.689 69.809 -0.120 1
1 587 . 12 1 1 X 52 52 THR N N 45 109.646 112.226 -2.580 1
1 588 . 12 1 1 X 53 53 GLU H H 46 7.366 8.190 -0.824 1
1 589 . 12 1 1 X 53 53 GLU HA H 46 3.836 4.033 -0.197 1
1 594 . 12 1 1 X 53 53 GLU C C 46 173.418 174.587 -1.169 1
1 595 . 12 1 1 X 53 53 GLU CA C 46 57.709 57.152 0.557 1
1 596 . 12 1 1 X 53 53 GLU CB C 46 29.067 27.575 1.492 1
1 598 . 12 1 1 X 53 53 GLU N N 46 112.606 117.236 -4.630 1
1 599 . 12 1 1 X 54 54 HIS H H 47 7.127 7.762 -0.635 1
1 600 . 12 1 1 X 54 54 HIS HA H 47 3.070 4.197 -1.127 1
1 605 . 12 1 1 X 54 54 HIS CA C 47 55.826 53.050 2.776 1
1 606 . 12 1 1 X 54 54 HIS CB C 47 32.124 32.579 -0.455 1
1 609 . 12 1 1 X 54 54 HIS N N 47 119.651 118.602 1.049 1
1 610 . 12 1 1 X 55 55 PRO HA H 48 4.143 4.314 -0.171 1
1 617 . 12 1 1 X 55 55 PRO CA C 48 64.843 64.707 0.136 1
1 618 . 12 1 1 X 55 55 PRO CB C 48 32.350 31.790 0.560 1
1 621 . 12 1 1 X 56 56 ASP H H 49 10.605 7.649 2.956 1
1 622 . 12 1 1 X 56 56 ASP HA H 49 4.712 5.028 -0.316 1
1 625 . 12 1 1 X 56 56 ASP C C 49 178.187 177.386 0.801 1
1 626 . 12 1 1 X 56 56 ASP CA C 49 54.989 53.750 1.239 1
1 627 . 12 1 1 X 56 56 ASP CB C 49 40.657 41.976 -1.319 1
1 628 . 12 1 1 X 56 56 ASP N N 49 121.022 117.774 3.248 1
1 629 . 12 1 1 X 57 57 GLY H H 50 8.011 8.205 -0.194 1
1 630 . 12 1 1 X 57 57 GLY HA2 H 50 4.122 3.881 0.241 1
1 631 . 12 1 1 X 57 57 GLY HA3 H 50 3.701 3.915 -0.214 1
1 632 . 12 1 1 X 57 57 GLY C C 50 175.337 175.850 -0.513 1
1 633 . 12 1 1 X 57 57 GLY CA C 50 47.435 47.512 -0.077 1
1 634 . 12 1 1 X 57 57 GLY N N 50 108.190 109.264 -1.074 1
1 635 . 12 1 1 X 58 58 THR H H 51 9.047 8.058 0.989 1
1 636 . 12 1 1 X 58 58 THR HA H 51 3.730 4.344 -0.614 1
1 641 . 12 1 1 X 58 58 THR C C 51 176.082 176.673 -0.591 1
1 642 . 12 1 1 X 58 58 THR CA C 51 64.795 64.308 0.487 1
1 643 . 12 1 1 X 58 58 THR CB C 51 68.398 68.734 -0.336 1
1 645 . 12 1 1 X 58 58 THR N N 51 114.996 115.572 -0.576 1
1 646 . 12 1 1 X 59 59 ALA H H 52 8.142 8.118 0.024 1
1 647 . 12 1 1 X 59 59 ALA HA H 52 4.205 4.035 0.170 1
1 651 . 12 1 1 X 59 59 ALA C C 52 179.373 180.158 -0.785 1
1 652 . 12 1 1 X 59 59 ALA CA C 52 55.625 55.100 0.525 1
1 653 . 12 1 1 X 59 59 ALA CB C 52 18.416 18.190 0.226 1
1 654 . 12 1 1 X 59 59 ALA N N 52 125.565 125.190 0.375 1
1 655 . 12 1 1 X 60 60 LEU H H 53 7.399 8.214 -0.815 1
1 656 . 12 1 1 X 60 60 LEU HA H 53 3.835 3.956 -0.121 1
1 666 . 12 1 1 X 60 60 LEU C C 53 178.601 179.065 -0.464 1
1 667 . 12 1 1 X 60 60 LEU CA C 53 58.031 58.021 0.010 1
1 668 . 12 1 1 X 60 60 LEU CB C 53 43.487 41.653 1.834 1
1 672 . 12 1 1 X 60 60 LEU N N 53 114.763 118.156 -3.393 1
1 673 . 12 1 1 X 61 61 ILE H H 54 6.855 7.717 -0.862 1
1 674 . 12 1 1 X 61 61 ILE HA H 54 3.518 3.465 0.053 1
1 684 . 12 1 1 X 61 61 ILE C C 54 178.595 177.850 0.745 1
1 685 . 12 1 1 X 61 61 ILE CA C 54 62.989 65.162 -2.173 1
1 686 . 12 1 1 X 61 61 ILE CB C 54 38.424 37.563 0.861 1
1 690 . 12 1 1 X 61 61 ILE N N 54 114.394 120.101 -5.707 1
1 691 . 12 1 1 X 62 62 TYR H H 55 7.489 8.579 -1.090 1
1 692 . 12 1 1 X 62 62 TYR HA H 55 4.243 4.247 -0.004 1
1 699 . 12 1 1 X 62 62 TYR C C 55 178.634 178.865 -0.231 1
1 700 . 12 1 1 X 62 62 TYR CA C 55 61.518 60.514 1.004 1
1 701 . 12 1 1 X 62 62 TYR CB C 55 37.566 38.031 -0.465 1
1 706 . 12 1 1 X 62 62 TYR N N 55 117.898 118.657 -0.759 1
1 707 . 12 1 1 X 63 63 GLU H H 56 8.659 8.860 -0.201 1
1 708 . 12 1 1 X 63 63 GLU HA H 56 4.441 4.132 0.309 1
1 713 . 12 1 1 X 63 63 GLU C C 56 177.785 178.877 -1.092 1
1 714 . 12 1 1 X 63 63 GLU CA C 56 57.658 59.376 -1.718 1
1 715 . 12 1 1 X 63 63 GLU CB C 56 29.034 29.131 -0.097 1
1 717 . 12 1 1 X 63 63 GLU N N 56 119.392 117.874 1.518 1
1 718 . 12 1 1 X 64 64 ALA H H 57 7.164 8.219 -1.055 1
1 719 . 12 1 1 X 64 64 ALA HA H 57 4.021 4.124 -0.103 1
1 723 . 12 1 1 X 64 64 ALA C C 57 180.327 179.761 0.566 1
1 724 . 12 1 1 X 64 64 ALA CA C 57 55.759 54.925 0.834 1
1 725 . 12 1 1 X 64 64 ALA CB C 57 18.615 18.221 0.394 1
1 726 . 12 1 1 X 64 64 ALA N N 57 121.778 122.483 -0.705 1
1 727 . 12 1 1 X 65 65 ALA H H 58 8.076 8.266 -0.190 1
1 728 . 12 1 1 X 65 65 ALA HA H 58 4.137 3.923 0.214 1
1 732 . 12 1 1 X 65 65 ALA C C 58 180.248 179.527 0.721 1
1 733 . 12 1 1 X 65 65 ALA CA C 58 55.104 54.990 0.114 1
1 734 . 12 1 1 X 65 65 ALA CB C 58 18.071 18.090 -0.019 1
1 735 . 12 1 1 X 65 65 ALA N N 58 120.307 119.756 0.551 1
1 736 . 12 1 1 X 66 66 ALA H H 59 7.893 7.536 0.357 1
1 737 . 12 1 1 X 66 66 ALA HA H 59 4.170 4.019 0.151 1
1 741 . 12 1 1 X 66 66 ALA C C 59 180.838 179.538 1.300 1
1 742 . 12 1 1 X 66 66 ALA CA C 59 54.800 55.075 -0.275 1
1 743 . 12 1 1 X 66 66 ALA CB C 59 18.184 17.993 0.191 1
1 744 . 12 1 1 X 66 66 ALA N N 59 122.126 119.920 2.206 1
1 745 . 12 1 1 X 67 67 ARG H H 60 8.139 8.793 -0.654 1
1 746 . 12 1 1 X 67 67 ARG HA H 60 4.065 3.984 0.081 1
1 753 . 12 1 1 X 67 67 ARG C C 60 178.779 178.335 0.444 1
1 754 . 12 1 1 X 67 67 ARG CA C 60 59.282 59.678 -0.396 1
1 755 . 12 1 1 X 67 67 ARG CB C 60 30.863 30.085 0.778 1
1 758 . 12 1 1 X 67 67 ARG N N 60 118.948 117.897 1.051 1
1 759 . 12 1 1 X 68 68 ALA H H 61 7.891 8.441 -0.550 1
1 760 . 12 1 1 X 68 68 ALA HA H 61 4.141 4.162 -0.021 1
1 764 . 12 1 1 X 68 68 ALA C C 61 179.329 179.736 -0.407 1
1 765 . 12 1 1 X 68 68 ALA CA C 61 54.340 54.931 -0.591 1
1 766 . 12 1 1 X 68 68 ALA CB C 61 18.528 18.267 0.261 1
1 767 . 12 1 1 X 68 68 ALA N N 61 121.473 122.114 -0.641 1
1 768 . 12 1 1 X 69 69 ALA H H 62 7.663 8.165 -0.502 1
1 769 . 12 1 1 X 69 69 ALA HA H 62 4.133 4.019 0.114 1
1 773 . 12 1 1 X 69 69 ALA C C 62 178.591 179.539 -0.948 1
1 774 . 12 1 1 X 69 69 ALA CA C 62 53.863 54.955 -1.092 1
1 775 . 12 1 1 X 69 69 ALA CB C 62 18.438 18.223 0.215 1
1 776 . 12 1 1 X 69 69 ALA N N 62 118.937 120.655 -1.718 1
1 777 . 12 1 1 X 70 70 ALA H H 63 7.488 7.826 -0.338 1
1 778 . 12 1 1 X 70 70 ALA HA H 63 4.280 4.176 0.104 1
1 782 . 12 1 1 X 70 70 ALA C C 63 177.318 177.659 -0.341 1
1 783 . 12 1 1 X 70 70 ALA CA C 63 52.981 54.623 -1.642 1
1 784 . 12 1 1 X 70 70 ALA CB C 63 19.324 19.421 -0.097 1
1 785 . 12 1 1 X 70 70 ALA N N 63 118.642 117.485 1.157 1
1 786 . 12 1 1 X 71 71 ASN H H 64 7.631 8.341 -0.710 1
1 787 . 12 1 1 X 71 71 ASN HA H 64 5.077 4.607 0.470 1
1 792 . 12 1 1 X 71 71 ASN CA C 64 50.877 53.931 -3.054 1
1 793 . 12 1 1 X 71 71 ASN CB C 64 39.243 36.893 2.350 1
1 795 . 12 1 1 X 71 71 ASN N N 64 116.008 115.709 0.299 1
1 797 . 12 1 1 X 72 72 PRO HA H 65 4.468 4.395 0.073 1
1 804 . 12 1 1 X 72 72 PRO CA C 65 64.454 65.979 -1.525 1
1 805 . 12 1 1 X 72 72 PRO CB C 65 32.007 31.436 0.571 1
1 808 . 12 1 1 X 73 73 GLY H H 66 8.608 8.046 0.562 1
1 809 . 12 1 1 X 73 73 GLY HA2 H 66 3.978 4.132 -0.154 1
1 810 . 12 1 1 X 73 73 GLY HA3 H 66 3.978 4.134 -0.156 1
1 811 . 12 1 1 X 73 73 GLY C C 66 175.054 174.776 0.278 1
1 812 . 12 1 1 X 73 73 GLY CA C 66 45.521 45.546 -0.025 1
1 813 . 12 1 1 X 73 73 GLY N N 66 109.435 106.009 3.426 1
1 814 . 12 1 1 X 74 74 GLY H H 67 8.085 7.958 0.127 1
1 815 . 12 1 1 X 74 74 GLY HA2 H 67 4.132 3.868 0.264 1
1 816 . 12 1 1 X 74 74 GLY HA3 H 67 3.896 3.870 0.026 1
1 817 . 12 1 1 X 74 74 GLY C C 67 174.008 173.901 0.107 1
1 818 . 12 1 1 X 74 74 GLY CA C 67 45.450 47.279 -1.829 1
1 819 . 12 1 1 X 74 74 GLY N N 67 108.472 107.868 0.604 1
1 820 . 12 1 1 X 75 75 ASP H H 68 8.307 8.169 0.138 1
1 821 . 12 1 1 X 75 75 ASP HA H 68 4.646 4.525 0.121 1
1 824 . 12 1 1 X 75 75 ASP C C 68 176.933 176.892 0.041 1
1 825 . 12 1 1 X 75 75 ASP CA C 68 54.226 55.562 -1.336 1
1 826 . 12 1 1 X 75 75 ASP CB C 68 41.486 40.472 1.014 1
1 827 . 12 1 1 X 75 75 ASP N N 68 119.941 125.278 -5.337 1
1 828 . 12 1 1 X 76 76 GLY H H 69 8.502 8.920 -0.418 1
1 829 . 12 1 1 X 76 76 GLY HA2 H 69 3.966 4.036 -0.070 1
1 830 . 12 1 1 X 76 76 GLY HA3 H 69 3.951 4.036 -0.085 1
1 831 . 12 1 1 X 76 76 GLY C C 69 174.771 174.965 -0.194 1
1 832 . 12 1 1 X 76 76 GLY CA C 69 45.744 45.591 0.153 1
1 833 . 12 1 1 X 76 76 GLY N N 69 109.061 114.360 -5.299 1
1 834 . 12 1 1 X 77 77 GLY H H 70 8.367 8.189 0.178 1
1 835 . 12 1 1 X 77 77 GLY HA2 H 70 4.092 4.215 -0.123 1
1 836 . 12 1 1 X 77 77 GLY HA3 H 70 3.920 4.215 -0.295 1
1 837 . 12 1 1 X 77 77 GLY C C 70 174.782 173.538 1.244 1
1 838 . 12 1 1 X 77 77 GLY CA C 70 45.327 45.837 -0.510 1
1 839 . 12 1 1 X 77 77 GLY N N 70 108.393 106.852 1.541 1
1 840 . 12 1 1 X 78 78 GLY H H 71 8.263 7.694 0.569 1
1 841 . 12 1 1 X 78 78 GLY HA2 H 71 4.205 4.149 0.056 1
1 842 . 12 1 1 X 78 78 GLY HA3 H 71 4.092 4.157 -0.065 1
1 843 . 12 1 1 X 78 78 GLY CA C 71 45.581 45.187 0.394 1
1 844 . 12 1 1 X 78 78 GLY N N 71 108.388 108.885 -0.497 1
1 845 . 12 1 1 X 79 79 PRO HA H 72 4.199 4.255 -0.056 1
1 852 . 12 1 1 X 79 79 PRO C C 72 178.000 177.802 0.198 1
1 853 . 12 1 1 X 79 79 PRO CA C 72 65.568 65.039 0.529 1
1 854 . 12 1 1 X 79 79 PRO CB C 72 32.864 31.631 1.233 1
1 857 . 12 1 1 X 80 80 GLU H H 73 9.283 8.590 0.693 1
1 858 . 12 1 1 X 80 80 GLU HA H 73 3.833 4.173 -0.340 1
1 863 . 12 1 1 X 80 80 GLU C C 73 179.587 177.964 1.623 1
1 864 . 12 1 1 X 80 80 GLU CA C 73 61.125 58.530 2.595 1
1 865 . 12 1 1 X 80 80 GLU CB C 73 28.576 29.271 -0.695 1
1 867 . 12 1 1 X 80 80 GLU N N 73 117.078 116.573 0.505 1
1 868 . 12 1 1 X 81 81 GLY H H 74 7.926 8.140 -0.214 1
1 869 . 12 1 1 X 81 81 GLY HA2 H 74 3.964 4.022 -0.058 1
1 870 . 12 1 1 X 81 81 GLY HA3 H 74 3.914 4.034 -0.120 1
1 871 . 12 1 1 X 81 81 GLY C C 74 176.538 175.329 1.209 1
1 872 . 12 1 1 X 81 81 GLY CA C 74 47.084 45.466 1.618 1
1 873 . 12 1 1 X 81 81 GLY N N 74 108.577 108.361 0.216 1
1 874 . 12 1 1 X 82 82 ILE H H 75 7.593 7.717 -0.124 1
1 875 . 12 1 1 X 82 82 ILE HA H 75 3.873 3.880 -0.007 1
1 885 . 12 1 1 X 82 82 ILE C C 75 178.147 178.126 0.021 1
1 886 . 12 1 1 X 82 82 ILE CA C 75 65.342 64.730 0.612 1
1 887 . 12 1 1 X 82 82 ILE CB C 75 38.163 37.503 0.660 1
1 891 . 12 1 1 X 82 82 ILE N N 75 123.572 122.060 1.512 1
1 892 . 12 1 1 X 83 83 VAL H H 76 8.135 7.756 0.379 1
1 893 . 12 1 1 X 83 83 VAL HA H 76 3.575 4.063 -0.488 1
1 901 . 12 1 1 X 83 83 VAL C C 76 177.094 178.056 -0.962 1
1 902 . 12 1 1 X 83 83 VAL CA C 76 68.153 65.521 2.632 1
1 903 . 12 1 1 X 83 83 VAL CB C 76 31.653 31.085 0.568 1
1 906 . 12 1 1 X 83 83 VAL N N 76 118.553 120.976 -2.423 1
1 907 . 12 1 1 X 84 84 LYS H H 77 7.803 8.126 -0.323 1
1 908 . 12 1 1 X 84 84 LYS HA H 77 4.006 4.109 -0.103 1
1 917 . 12 1 1 X 84 84 LYS C C 77 178.064 178.841 -0.777 1
1 918 . 12 1 1 X 84 84 LYS CA C 77 60.516 59.497 1.019 1
1 919 . 12 1 1 X 84 84 LYS CB C 77 32.849 32.480 0.369 1
1 923 . 12 1 1 X 84 84 LYS N N 77 119.572 121.225 -1.653 1
1 924 . 12 1 1 X 85 85 GLU H H 78 7.629 7.945 -0.316 1
1 925 . 12 1 1 X 85 85 GLU HA H 78 4.246 4.166 0.080 1
1 930 . 12 1 1 X 85 85 GLU C C 78 179.834 179.486 0.348 1
1 931 . 12 1 1 X 85 85 GLU CA C 78 59.752 59.163 0.589 1
1 932 . 12 1 1 X 85 85 GLU CB C 78 29.189 29.498 -0.309 1
1 934 . 12 1 1 X 85 85 GLU N N 78 118.366 118.375 -0.009 1
1 935 . 12 1 1 X 86 86 ILE H H 79 8.432 8.164 0.268 1
1 936 . 12 1 1 X 86 86 ILE HA H 79 3.781 3.650 0.131 1
1 946 . 12 1 1 X 86 86 ILE C C 79 177.578 177.967 -0.389 1
1 947 . 12 1 1 X 86 86 ILE CA C 79 65.454 64.880 0.574 1
1 948 . 12 1 1 X 86 86 ILE CB C 79 37.940 37.757 0.183 1
1 952 . 12 1 1 X 86 86 ILE N N 79 118.975 120.724 -1.749 1
1 953 . 12 1 1 X 87 87 LYS H H 80 9.096 8.762 0.334 1
1 954 . 12 1 1 X 87 87 LYS HA H 80 3.958 3.923 0.035 1
1 963 . 12 1 1 X 87 87 LYS C C 80 180.285 178.578 1.707 1
1 964 . 12 1 1 X 87 87 LYS CA C 80 60.290 59.120 1.170 1
1 965 . 12 1 1 X 87 87 LYS CB C 80 33.299 32.236 1.063 1
1 969 . 12 1 1 X 87 87 LYS N N 80 119.805 120.632 -0.827 1
1 970 . 12 1 1 X 88 88 GLU H H 81 8.508 7.719 0.789 1
1 971 . 12 1 1 X 88 88 GLU HA H 81 4.099 4.081 0.018 1
1 976 . 12 1 1 X 88 88 GLU C C 81 179.195 179.086 0.109 1
1 977 . 12 1 1 X 88 88 GLU CA C 81 59.632 59.026 0.606 1
1 978 . 12 1 1 X 88 88 GLU CB C 81 29.649 29.519 0.130 1
1 980 . 12 1 1 X 88 88 GLU N N 81 118.920 119.271 -0.351 1
1 981 . 12 1 1 X 89 89 TRP H H 82 8.682 8.059 0.623 1
1 982 . 12 1 1 X 89 89 TRP HA H 82 4.201 4.302 -0.101 1
1 991 . 12 1 1 X 89 89 TRP C C 82 179.807 178.547 1.260 1
1 992 . 12 1 1 X 89 89 TRP CA C 82 63.110 60.916 2.194 1
1 993 . 12 1 1 X 89 89 TRP CB C 82 29.285 29.958 -0.673 1
1 999 . 12 1 1 X 89 89 TRP N N 82 122.152 122.347 -0.195 1
1 1001 . 12 1 1 X 90 90 ARG H H 83 9.025 8.360 0.665 1
1 1002 . 12 1 1 X 90 90 ARG HA H 83 3.295 4.025 -0.730 1
1 1009 . 12 1 1 X 90 90 ARG C C 83 178.120 178.504 -0.384 1
1 1010 . 12 1 1 X 90 90 ARG CA C 83 60.895 59.942 0.953 1
1 1011 . 12 1 1 X 90 90 ARG CB C 83 28.668 30.023 -1.355 1
1 1014 . 12 1 1 X 90 90 ARG N N 83 118.380 119.565 -1.185 1
1 1015 . 12 1 1 X 91 91 ALA H H 84 7.759 8.117 -0.358 1
1 1016 . 12 1 1 X 91 91 ALA HA H 84 4.151 4.099 0.052 1
1 1020 . 12 1 1 X 91 91 ALA C C 84 181.466 180.172 1.294 1
1 1021 . 12 1 1 X 91 91 ALA CA C 84 55.217 54.971 0.246 1
1 1022 . 12 1 1 X 91 91 ALA CB C 84 18.175 17.991 0.184 1
1 1023 . 12 1 1 X 91 91 ALA N N 84 120.210 121.709 -1.499 1
1 1024 . 12 1 1 X 92 92 ALA H H 85 7.943 8.062 -0.119 1
1 1025 . 12 1 1 X 92 92 ALA HA H 85 4.081 4.014 0.067 1
1 1029 . 12 1 1 X 92 92 ALA C C 85 178.324 178.954 -0.630 1
1 1030 . 12 1 1 X 92 92 ALA CA C 85 54.244 55.109 -0.865 1
1 1031 . 12 1 1 X 92 92 ALA CB C 85 18.306 18.155 0.151 1
1 1032 . 12 1 1 X 92 92 ALA N N 85 120.470 120.790 -0.320 1
1 1033 . 12 1 1 X 93 93 ASN H H 86 7.005 7.940 -0.935 1
1 1034 . 12 1 1 X 93 93 ASN HA H 86 4.475 4.401 0.074 1
1 1039 . 12 1 1 X 93 93 ASN C C 86 174.108 175.335 -1.227 1
1 1040 . 12 1 1 X 93 93 ASN CA C 86 53.347 53.789 -0.442 1
1 1041 . 12 1 1 X 93 93 ASN CB C 86 39.379 38.582 0.797 1
1 1043 . 12 1 1 X 93 93 ASN N N 86 113.372 114.333 -0.961 1
1 1045 . 12 1 1 X 94 94 GLY H H 87 7.535 8.204 -0.669 1
1 1046 . 12 1 1 X 94 94 GLY HA2 H 87 3.810 3.982 -0.172 1
1 1047 . 12 1 1 X 94 94 GLY HA3 H 87 3.810 3.989 -0.179 1
1 1048 . 12 1 1 X 94 94 GLY C C 87 174.481 173.936 0.545 1
1 1049 . 12 1 1 X 94 94 GLY CA C 87 47.230 45.051 2.179 1
1 1050 . 12 1 1 X 94 94 GLY N N 87 108.152 106.810 1.342 1
1 1051 . 12 1 1 X 95 95 LYS H H 88 8.037 7.829 0.208 1
1 1052 . 12 1 1 X 95 95 LYS HA H 88 4.654 4.703 -0.049 1
1 1061 . 12 1 1 X 95 95 LYS CA C 88 53.357 53.087 0.270 1
1 1062 . 12 1 1 X 95 95 LYS CB C 88 32.741 33.050 -0.309 1
1 1066 . 12 1 1 X 95 95 LYS N N 88 119.147 120.580 -1.433 1
1 1067 . 12 1 1 X 96 96 PRO HA H 89 4.275 4.450 -0.175 1
1 1074 . 12 1 1 X 96 96 PRO C C 89 176.696 176.694 0.002 1
1 1075 . 12 1 1 X 96 96 PRO CA C 89 63.482 63.046 0.436 1
1 1076 . 12 1 1 X 96 96 PRO CB C 89 32.981 32.236 0.745 1
1 1079 . 12 1 1 X 97 97 GLY H H 90 8.336 8.419 -0.083 1
1 1080 . 12 1 1 X 97 97 GLY HA2 H 90 4.074 3.681 0.393 1
1 1081 . 12 1 1 X 97 97 GLY HA3 H 90 3.615 3.763 -0.148 1
1 1082 . 12 1 1 X 97 97 GLY C C 90 173.388 173.319 0.069 1
1 1083 . 12 1 1 X 97 97 GLY CA C 90 43.347 44.270 -0.923 1
1 1084 . 12 1 1 X 97 97 GLY N N 90 110.343 107.456 2.887 1
1 1085 . 12 1 1 X 98 98 PHE H H 91 7.749 8.011 -0.262 1
1 1086 . 12 1 1 X 98 98 PHE HA H 91 4.527 5.108 -0.581 1
1 1094 . 12 1 1 X 98 98 PHE C C 91 177.021 175.540 1.481 1
1 1095 . 12 1 1 X 98 98 PHE CA C 91 59.184 57.683 1.501 1
1 1096 . 12 1 1 X 98 98 PHE CB C 91 40.005 41.546 -1.541 1
1 1102 . 12 1 1 X 98 98 PHE N N 91 116.151 120.327 -4.176 1
1 1103 . 12 1 1 X 99 99 LYS H H 92 8.531 9.072 -0.541 1
1 1104 . 12 1 1 X 99 99 LYS HA H 92 4.178 4.756 -0.578 1
1 1113 . 12 1 1 X 99 99 LYS C C 92 176.542 175.564 0.978 1
1 1114 . 12 1 1 X 99 99 LYS CA C 92 57.292 55.422 1.870 1
1 1115 . 12 1 1 X 99 99 LYS CB C 92 32.875 34.001 -1.126 1
1 1119 . 12 1 1 X 99 99 LYS N N 92 123.602 119.443 4.159 1
1 1120 . 12 1 1 X 100 100 GLN H H 93 8.633 8.419 0.214 1
1 1121 . 12 1 1 X 100 100 GLN HA H 93 4.297 5.313 -1.016 1
1 1128 . 12 1 1 X 100 100 GLN C C 93 175.318 175.917 -0.599 1
1 1129 . 12 1 1 X 100 100 GLN CA C 93 56.479 54.149 2.330 1
1 1130 . 12 1 1 X 100 100 GLN CB C 93 29.751 31.818 -2.067 1
1 1133 . 12 1 1 X 100 100 GLN N N 93 125.089 118.946 6.143 1
1 12 . 13 1 1 X 10 10 LEU H H 3 8.121 8.778 -0.657 1
1 13 . 13 1 1 X 10 10 LEU HA H 3 4.240 5.225 -0.985 1
1 23 . 13 1 1 X 10 10 LEU C C 3 176.909 176.181 0.728 1
1 24 . 13 1 1 X 10 10 LEU CA C 3 54.748 53.549 1.199 1
1 25 . 13 1 1 X 10 10 LEU CB C 3 41.272 43.132 -1.860 1
1 29 . 13 1 1 X 10 10 LEU N N 3 123.688 126.224 -2.536 1
1 30 . 13 1 1 X 11 11 LYS H H 4 7.677 8.551 -0.874 1
1 31 . 13 1 1 X 11 11 LYS HA H 4 4.404 4.669 -0.265 1
1 40 . 13 1 1 X 11 11 LYS C C 4 176.184 177.574 -1.390 1
1 41 . 13 1 1 X 11 11 LYS CA C 4 55.828 54.324 1.504 1
1 42 . 13 1 1 X 11 11 LYS CB C 4 33.482 34.886 -1.404 1
1 46 . 13 1 1 X 11 11 LYS N N 4 122.221 121.563 0.658 1
1 47 . 13 1 1 X 12 12 ASN H H 5 8.538 9.013 -0.475 1
1 48 . 13 1 1 X 12 12 ASN HA H 5 4.685 4.693 -0.008 1
1 53 . 13 1 1 X 12 12 ASN C C 5 174.925 175.628 -0.703 1
1 54 . 13 1 1 X 12 12 ASN CA C 5 55.721 55.147 0.574 1
1 55 . 13 1 1 X 12 12 ASN CB C 5 40.409 38.688 1.721 1
1 57 . 13 1 1 X 12 12 ASN N N 5 116.610 118.976 -2.366 1
1 59 . 13 1 1 X 13 13 SER H H 6 8.144 7.952 0.192 1
1 60 . 13 1 1 X 13 13 SER HA H 6 4.819 4.864 -0.045 1
1 63 . 13 1 1 X 13 13 SER C C 6 175.123 174.870 0.253 1
1 64 . 13 1 1 X 13 13 SER CA C 6 56.778 56.068 0.710 1
1 65 . 13 1 1 X 13 13 SER CB C 6 65.949 66.420 -0.471 1
1 66 . 13 1 1 X 13 13 SER N N 6 112.138 110.731 1.407 1
1 67 . 13 1 1 X 14 14 ILE H H 7 9.318 8.876 0.442 1
1 68 . 13 1 1 X 14 14 ILE HA H 7 3.966 4.274 -0.308 1
1 78 . 13 1 1 X 14 14 ILE C C 7 175.537 178.117 -2.580 1
1 79 . 13 1 1 X 14 14 ILE CA C 7 64.956 64.059 0.897 1
1 80 . 13 1 1 X 14 14 ILE CB C 7 37.062 37.863 -0.801 1
1 84 . 13 1 1 X 14 14 ILE N N 7 126.034 124.817 1.217 1
1 85 . 13 1 1 X 15 15 SER H H 8 7.504 8.219 -0.715 1
1 86 . 13 1 1 X 15 15 SER HA H 8 4.694 4.529 0.165 1
1 89 . 13 1 1 X 15 15 SER C C 8 174.278 174.625 -0.347 1
1 90 . 13 1 1 X 15 15 SER CA C 8 59.481 60.007 -0.526 1
1 91 . 13 1 1 X 15 15 SER CB C 8 63.241 63.406 -0.165 1
1 92 . 13 1 1 X 15 15 SER N N 8 112.517 117.627 -5.110 1
1 93 . 13 1 1 X 16 16 ASP H H 9 7.783 8.233 -0.450 1
1 94 . 13 1 1 X 16 16 ASP HA H 9 4.791 4.745 0.046 1
1 97 . 13 1 1 X 16 16 ASP C C 9 175.976 175.788 0.188 1
1 98 . 13 1 1 X 16 16 ASP CA C 9 55.243 53.490 1.753 1
1 99 . 13 1 1 X 16 16 ASP CB C 9 43.327 41.124 2.203 1
1 100 . 13 1 1 X 16 16 ASP N N 9 117.795 120.053 -2.258 1
1 101 . 13 1 1 X 17 17 TYR H H 10 8.279 7.725 0.554 1
1 102 . 13 1 1 X 17 17 TYR HA H 10 4.962 5.100 -0.138 1
1 109 . 13 1 1 X 17 17 TYR C C 10 177.535 176.272 1.263 1
1 110 . 13 1 1 X 17 17 TYR CA C 10 58.573 56.784 1.789 1
1 111 . 13 1 1 X 17 17 TYR CB C 10 41.015 40.071 0.944 1
1 116 . 13 1 1 X 17 17 TYR N N 10 120.484 118.864 1.620 1
1 117 . 13 1 1 X 18 18 THR H H 11 8.796 8.893 -0.097 1
1 118 . 13 1 1 X 18 18 THR HA H 11 5.040 5.478 -0.438 1
1 123 . 13 1 1 X 18 18 THR C C 11 176.099 175.959 0.140 1
1 124 . 13 1 1 X 18 18 THR CA C 11 60.775 60.569 0.206 1
1 125 . 13 1 1 X 18 18 THR CB C 11 71.041 70.936 0.105 1
1 127 . 13 1 1 X 18 18 THR N N 11 112.143 117.029 -4.886 1
1 128 . 13 1 1 X 19 19 GLU H H 12 9.173 9.024 0.149 1
1 129 . 13 1 1 X 19 19 GLU HA H 12 2.757 3.363 -0.606 1
1 134 . 13 1 1 X 19 19 GLU C C 12 178.378 178.376 0.002 1
1 135 . 13 1 1 X 19 19 GLU CA C 12 60.906 59.009 1.897 1
1 136 . 13 1 1 X 19 19 GLU CB C 12 29.442 28.821 0.621 1
1 138 . 13 1 1 X 19 19 GLU N N 12 122.386 121.048 1.338 1
1 139 . 13 1 1 X 20 20 ALA H H 13 8.356 8.214 0.142 1
1 140 . 13 1 1 X 20 20 ALA HA H 13 4.069 4.189 -0.120 1
1 144 . 13 1 1 X 20 20 ALA C C 13 181.816 179.599 2.217 1
1 145 . 13 1 1 X 20 20 ALA CA C 13 55.388 54.885 0.503 1
1 146 . 13 1 1 X 20 20 ALA CB C 13 18.308 18.485 -0.177 1
1 147 . 13 1 1 X 20 20 ALA N N 13 118.695 122.101 -3.406 1
1 148 . 13 1 1 X 21 21 GLU H H 14 8.013 8.130 -0.117 1
1 149 . 13 1 1 X 21 21 GLU HA H 14 4.131 4.130 0.001 1
1 154 . 13 1 1 X 21 21 GLU C C 14 179.649 179.350 0.299 1
1 155 . 13 1 1 X 21 21 GLU CA C 14 58.916 58.928 -0.012 1
1 156 . 13 1 1 X 21 21 GLU CB C 14 31.632 29.533 2.099 1
1 158 . 13 1 1 X 21 21 GLU N N 14 118.978 119.491 -0.513 1
1 159 . 13 1 1 X 22 22 PHE H H 15 8.635 8.434 0.201 1
1 160 . 13 1 1 X 22 22 PHE HA H 15 4.049 4.049 0.000 1
1 167 . 13 1 1 X 22 22 PHE C C 15 177.402 177.579 -0.177 1
1 168 . 13 1 1 X 22 22 PHE CA C 15 62.183 61.071 1.112 1
1 169 . 13 1 1 X 22 22 PHE CB C 15 40.545 38.772 1.773 1
1 174 . 13 1 1 X 22 22 PHE N N 15 124.639 122.440 2.199 1
1 175 . 13 1 1 X 23 23 VAL H H 16 8.647 8.414 0.233 1
1 176 . 13 1 1 X 23 23 VAL HA H 16 3.416 3.752 -0.336 1
1 184 . 13 1 1 X 23 23 VAL C C 16 177.798 177.716 0.082 1
1 185 . 13 1 1 X 23 23 VAL CA C 16 67.917 66.282 1.635 1
1 186 . 13 1 1 X 23 23 VAL CB C 16 31.579 31.286 0.293 1
1 189 . 13 1 1 X 23 23 VAL N N 16 119.817 118.547 1.270 1
1 190 . 13 1 1 X 24 24 GLN H H 17 7.569 7.883 -0.314 1
1 191 . 13 1 1 X 24 24 GLN HA H 17 3.943 3.970 -0.027 1
1 198 . 13 1 1 X 24 24 GLN C C 17 178.313 178.061 0.252 1
1 199 . 13 1 1 X 24 24 GLN CA C 17 59.289 59.226 0.063 1
1 200 . 13 1 1 X 24 24 GLN CB C 17 27.814 28.050 -0.236 1
1 203 . 13 1 1 X 24 24 GLN N N 17 117.658 121.140 -3.482 1
1 205 . 13 1 1 X 25 25 LEU H H 18 7.512 7.478 0.034 1
1 206 . 13 1 1 X 25 25 LEU HA H 18 4.136 3.983 0.153 1
1 216 . 13 1 1 X 25 25 LEU C C 18 178.440 177.961 0.479 1
1 217 . 13 1 1 X 25 25 LEU CA C 18 58.651 58.066 0.585 1
1 218 . 13 1 1 X 25 25 LEU CB C 18 40.626 41.005 -0.379 1
1 222 . 13 1 1 X 25 25 LEU N N 18 122.037 120.726 1.311 1
1 223 . 13 1 1 X 26 26 LEU H H 19 7.761 7.984 -0.223 1
1 224 . 13 1 1 X 26 26 LEU HA H 19 3.748 3.583 0.165 1
1 234 . 13 1 1 X 26 26 LEU C C 19 180.080 179.122 0.958 1
1 235 . 13 1 1 X 26 26 LEU CA C 19 58.041 57.942 0.099 1
1 236 . 13 1 1 X 26 26 LEU CB C 19 41.009 41.003 0.006 1
1 240 . 13 1 1 X 26 26 LEU N N 19 118.502 118.458 0.044 1
1 241 . 13 1 1 X 27 27 LYS H H 20 8.357 8.213 0.144 1
1 242 . 13 1 1 X 27 27 LYS HA H 20 4.019 4.095 -0.076 1
1 251 . 13 1 1 X 27 27 LYS C C 20 179.559 179.548 0.011 1
1 252 . 13 1 1 X 27 27 LYS CA C 20 59.648 59.926 -0.278 1
1 253 . 13 1 1 X 27 27 LYS CB C 20 31.995 32.000 -0.005 1
1 257 . 13 1 1 X 27 27 LYS N N 20 120.427 117.932 2.495 1
1 258 . 13 1 1 X 28 28 GLU H H 21 8.123 7.706 0.417 1
1 259 . 13 1 1 X 28 28 GLU HA H 21 4.082 4.011 0.071 1
1 264 . 13 1 1 X 28 28 GLU C C 21 179.063 179.462 -0.399 1
1 265 . 13 1 1 X 28 28 GLU CA C 21 59.406 59.207 0.199 1
1 266 . 13 1 1 X 28 28 GLU CB C 21 29.146 29.402 -0.256 1
1 268 . 13 1 1 X 28 28 GLU N N 21 122.374 119.981 2.393 1
1 269 . 13 1 1 X 29 29 ILE H H 22 8.049 7.834 0.215 1
1 270 . 13 1 1 X 29 29 ILE HA H 22 3.343 3.595 -0.252 1
1 280 . 13 1 1 X 29 29 ILE C C 22 177.151 177.616 -0.465 1
1 281 . 13 1 1 X 29 29 ILE CA C 22 66.435 65.108 1.327 1
1 282 . 13 1 1 X 29 29 ILE CB C 22 37.954 37.322 0.632 1
1 286 . 13 1 1 X 29 29 ILE N N 22 120.195 121.291 -1.096 1
1 287 . 13 1 1 X 30 30 GLU H H 23 7.820 8.143 -0.323 1
1 288 . 13 1 1 X 30 30 GLU HA H 23 3.983 3.796 0.187 1
1 293 . 13 1 1 X 30 30 GLU C C 23 178.990 179.207 -0.217 1
1 294 . 13 1 1 X 30 30 GLU CA C 23 59.460 59.699 -0.239 1
1 295 . 13 1 1 X 30 30 GLU CB C 23 30.012 29.048 0.964 1
1 297 . 13 1 1 X 30 30 GLU N N 23 118.917 118.693 0.224 1
1 298 . 13 1 1 X 31 31 LYS H H 24 7.678 7.520 0.158 1
1 299 . 13 1 1 X 31 31 LYS HA H 24 4.059 3.936 0.123 1
1 308 . 13 1 1 X 31 31 LYS C C 24 179.231 178.556 0.675 1
1 309 . 13 1 1 X 31 31 LYS CA C 24 59.152 59.694 -0.542 1
1 310 . 13 1 1 X 31 31 LYS CB C 24 32.712 32.288 0.424 1
1 314 . 13 1 1 X 31 31 LYS N N 24 118.807 120.650 -1.843 1
1 315 . 13 1 1 X 32 32 GLU H H 25 8.182 7.793 0.389 1
1 316 . 13 1 1 X 32 32 GLU HA H 25 4.309 4.222 0.087 1
1 321 . 13 1 1 X 32 32 GLU C C 25 177.897 179.025 -1.128 1
1 322 . 13 1 1 X 32 32 GLU CA C 25 57.449 57.631 -0.182 1
1 323 . 13 1 1 X 32 32 GLU CB C 25 29.522 30.182 -0.660 1
1 325 . 13 1 1 X 32 32 GLU N N 25 118.578 117.018 1.560 1
1 326 . 13 1 1 X 33 33 ASN H H 26 8.343 8.443 -0.100 1
1 327 . 13 1 1 X 33 33 ASN HA H 26 4.608 4.414 0.194 1
1 330 . 13 1 1 X 33 33 ASN C C 26 176.524 177.001 -0.477 1
1 331 . 13 1 1 X 33 33 ASN CA C 26 55.463 56.451 -0.988 1
1 332 . 13 1 1 X 33 33 ASN CB C 26 39.074 39.474 -0.400 1
1 333 . 13 1 1 X 33 33 ASN N N 26 118.483 119.524 -1.041 1
1 334 . 13 1 1 X 34 34 VAL H H 27 7.434 7.798 -0.364 1
1 335 . 13 1 1 X 34 34 VAL HA H 27 4.182 3.971 0.211 1
1 343 . 13 1 1 X 34 34 VAL C C 27 176.315 177.669 -1.354 1
1 344 . 13 1 1 X 34 34 VAL CA C 27 62.829 63.872 -1.043 1
1 345 . 13 1 1 X 34 34 VAL CB C 27 32.178 31.209 0.969 1
1 348 . 13 1 1 X 34 34 VAL N N 27 114.036 116.547 -2.511 1
1 349 . 13 1 1 X 35 35 ALA H H 28 7.648 7.714 -0.066 1
1 350 . 13 1 1 X 35 35 ALA HA H 28 4.346 4.225 0.121 1
1 354 . 13 1 1 X 35 35 ALA C C 28 177.126 176.988 0.138 1
1 355 . 13 1 1 X 35 35 ALA CA C 28 52.712 53.473 -0.761 1
1 356 . 13 1 1 X 35 35 ALA CB C 28 19.915 19.649 0.266 1
1 357 . 13 1 1 X 35 35 ALA N N 28 124.066 123.558 0.508 1
1 358 . 13 1 1 X 36 36 ALA H H 29 8.337 8.553 -0.216 1
1 359 . 13 1 1 X 36 36 ALA HA H 29 4.260 4.010 0.250 1
1 363 . 13 1 1 X 36 36 ALA C C 29 177.999 177.982 0.017 1
1 364 . 13 1 1 X 36 36 ALA CA C 29 53.660 52.873 0.787 1
1 365 . 13 1 1 X 36 36 ALA CB C 29 19.175 17.111 2.064 1
1 366 . 13 1 1 X 36 36 ALA N N 29 121.695 119.107 2.588 1
1 367 . 13 1 1 X 37 37 THR H H 30 8.093 7.595 0.498 1
1 368 . 13 1 1 X 37 37 THR HA H 30 4.533 4.243 0.290 1
1 373 . 13 1 1 X 37 37 THR C C 30 174.715 175.468 -0.753 1
1 374 . 13 1 1 X 37 37 THR CA C 30 60.860 62.797 -1.937 1
1 375 . 13 1 1 X 37 37 THR CB C 30 70.424 69.953 0.471 1
1 377 . 13 1 1 X 37 37 THR N N 30 110.112 111.139 -1.027 1
1 378 . 13 1 1 X 38 38 ASP H H 31 8.488 8.192 0.296 1
1 379 . 13 1 1 X 38 38 ASP HA H 31 4.685 4.565 0.120 1
1 382 . 13 1 1 X 38 38 ASP C C 31 175.896 176.297 -0.401 1
1 383 . 13 1 1 X 38 38 ASP CA C 31 54.704 56.037 -1.333 1
1 384 . 13 1 1 X 38 38 ASP CB C 31 41.389 40.597 0.792 1
1 385 . 13 1 1 X 38 38 ASP N N 31 121.899 121.606 0.293 1
1 386 . 13 1 1 X 39 39 ASP H H 32 8.368 8.629 -0.261 1
1 387 . 13 1 1 X 39 39 ASP HA H 32 4.459 4.434 0.025 1
1 390 . 13 1 1 X 39 39 ASP C C 32 177.499 178.261 -0.762 1
1 391 . 13 1 1 X 39 39 ASP CA C 32 56.443 57.319 -0.876 1
1 392 . 13 1 1 X 39 39 ASP CB C 32 40.737 41.393 -0.656 1
1 393 . 13 1 1 X 39 39 ASP N N 32 118.770 119.403 -0.633 1
1 394 . 13 1 1 X 40 40 VAL H H 33 7.963 7.395 0.568 1
1 395 . 13 1 1 X 40 40 VAL HA H 33 3.800 4.047 -0.247 1
1 403 . 13 1 1 X 40 40 VAL C C 33 177.362 177.501 -0.139 1
1 404 . 13 1 1 X 40 40 VAL CA C 33 64.970 64.321 0.649 1
1 405 . 13 1 1 X 40 40 VAL CB C 33 32.256 32.636 -0.380 1
1 408 . 13 1 1 X 40 40 VAL N N 33 119.409 117.952 1.457 1
1 409 . 13 1 1 X 41 41 LEU H H 34 8.508 7.682 0.826 1
1 410 . 13 1 1 X 41 41 LEU HA H 34 3.857 4.278 -0.421 1
1 420 . 13 1 1 X 41 41 LEU C C 34 177.633 178.100 -0.467 1
1 421 . 13 1 1 X 41 41 LEU CA C 34 58.428 58.515 -0.087 1
1 422 . 13 1 1 X 41 41 LEU CB C 34 41.755 41.206 0.549 1
1 426 . 13 1 1 X 41 41 LEU N N 34 122.150 122.418 -0.268 1
1 427 . 13 1 1 X 42 42 ASP H H 35 8.236 8.547 -0.311 1
1 428 . 13 1 1 X 42 42 ASP HA H 35 4.370 4.335 0.035 1
1 431 . 13 1 1 X 42 42 ASP C C 35 179.155 178.683 0.472 1
1 432 . 13 1 1 X 42 42 ASP CA C 35 57.925 57.721 0.204 1
1 433 . 13 1 1 X 42 42 ASP CB C 35 40.417 41.080 -0.663 1
1 434 . 13 1 1 X 42 42 ASP N N 35 116.374 118.895 -2.521 1
1 435 . 13 1 1 X 43 43 VAL H H 36 7.320 8.103 -0.783 1
1 436 . 13 1 1 X 43 43 VAL HA H 36 3.782 3.647 0.135 1
1 444 . 13 1 1 X 43 43 VAL C C 36 179.309 178.228 1.081 1
1 445 . 13 1 1 X 43 43 VAL CA C 36 66.080 66.738 -0.658 1
1 446 . 13 1 1 X 43 43 VAL CB C 36 32.245 31.533 0.712 1
1 449 . 13 1 1 X 43 43 VAL N N 36 119.754 119.758 -0.004 1
1 450 . 13 1 1 X 44 44 LEU H H 37 8.122 8.579 -0.457 1
1 451 . 13 1 1 X 44 44 LEU HA H 37 4.008 3.991 0.017 1
1 461 . 13 1 1 X 44 44 LEU C C 37 179.518 179.243 0.275 1
1 462 . 13 1 1 X 44 44 LEU CA C 37 58.048 57.873 0.175 1
1 463 . 13 1 1 X 44 44 LEU CB C 37 42.374 41.629 0.745 1
1 467 . 13 1 1 X 44 44 LEU N N 37 120.608 119.012 1.596 1
1 468 . 13 1 1 X 45 45 LEU H H 38 8.898 8.350 0.548 1
1 469 . 13 1 1 X 45 45 LEU HA H 38 4.030 3.887 0.143 1
1 479 . 13 1 1 X 45 45 LEU C C 38 179.166 179.497 -0.331 1
1 480 . 13 1 1 X 45 45 LEU CA C 38 58.184 58.245 -0.061 1
1 481 . 13 1 1 X 45 45 LEU CB C 38 41.506 41.456 0.050 1
1 485 . 13 1 1 X 45 45 LEU N N 38 119.199 118.773 0.426 1
1 486 . 13 1 1 X 46 46 GLU H H 39 7.964 8.690 -0.726 1
1 487 . 13 1 1 X 46 46 GLU HA H 39 4.066 4.140 -0.074 1
1 492 . 13 1 1 X 46 46 GLU C C 39 178.995 178.856 0.139 1
1 493 . 13 1 1 X 46 46 GLU CA C 39 59.769 59.326 0.443 1
1 494 . 13 1 1 X 46 46 GLU CB C 39 29.577 29.101 0.476 1
1 496 . 13 1 1 X 46 46 GLU N N 39 119.334 118.114 1.220 1
1 497 . 13 1 1 X 47 47 HIS H H 40 8.009 8.603 -0.594 1
1 498 . 13 1 1 X 47 47 HIS HA H 40 4.416 4.378 0.038 1
1 503 . 13 1 1 X 47 47 HIS C C 40 176.115 176.973 -0.858 1
1 504 . 13 1 1 X 47 47 HIS CA C 40 60.151 58.879 1.272 1
1 505 . 13 1 1 X 47 47 HIS CB C 40 30.389 30.390 -0.001 1
1 508 . 13 1 1 X 47 47 HIS N N 40 119.610 120.225 -0.615 1
1 509 . 13 1 1 X 48 48 PHE H H 41 8.711 8.344 0.367 1
1 510 . 13 1 1 X 48 48 PHE HA H 41 3.808 4.194 -0.386 1
1 518 . 13 1 1 X 48 48 PHE C C 41 178.023 177.366 0.657 1
1 519 . 13 1 1 X 48 48 PHE CA C 41 62.654 61.261 1.393 1
1 520 . 13 1 1 X 48 48 PHE CB C 41 39.408 39.195 0.213 1
1 526 . 13 1 1 X 48 48 PHE N N 41 118.110 120.265 -2.155 1
1 527 . 13 1 1 X 49 49 VAL H H 42 8.439 8.321 0.118 1
1 528 . 13 1 1 X 49 49 VAL HA H 42 3.359 3.797 -0.438 1
1 536 . 13 1 1 X 49 49 VAL C C 42 178.340 177.517 0.823 1
1 537 . 13 1 1 X 49 49 VAL CA C 42 67.276 64.370 2.906 1
1 538 . 13 1 1 X 49 49 VAL CB C 42 32.235 31.401 0.834 1
1 541 . 13 1 1 X 49 49 VAL N N 42 121.301 118.589 2.712 1
1 542 . 13 1 1 X 50 50 LYS H H 43 8.091 8.939 -0.848 1
1 543 . 13 1 1 X 50 50 LYS HA H 43 3.973 4.032 -0.059 1
1 552 . 13 1 1 X 50 50 LYS C C 43 178.985 178.197 0.788 1
1 553 . 13 1 1 X 50 50 LYS CA C 43 59.580 58.873 0.707 1
1 554 . 13 1 1 X 50 50 LYS CB C 43 32.784 31.783 1.001 1
1 558 . 13 1 1 X 50 50 LYS N N 43 120.887 119.647 1.240 1
1 559 . 13 1 1 X 51 51 ILE H H 44 8.347 7.220 1.127 1
1 560 . 13 1 1 X 51 51 ILE HA H 44 4.159 3.937 0.222 1
1 570 . 13 1 1 X 51 51 ILE C C 44 178.121 177.967 0.154 1
1 571 . 13 1 1 X 51 51 ILE CA C 44 62.328 63.795 -1.467 1
1 572 . 13 1 1 X 51 51 ILE CB C 44 37.576 37.849 -0.273 1
1 576 . 13 1 1 X 51 51 ILE N N 44 111.354 117.102 -5.748 1
1 577 . 13 1 1 X 52 52 THR H H 45 7.588 7.738 -0.150 1
1 578 . 13 1 1 X 52 52 THR HA H 45 3.683 4.021 -0.338 1
1 583 . 13 1 1 X 52 52 THR C C 45 176.285 175.195 1.090 1
1 584 . 13 1 1 X 52 52 THR CA C 45 65.803 63.539 2.264 1
1 585 . 13 1 1 X 52 52 THR CB C 45 69.689 69.722 -0.033 1
1 587 . 13 1 1 X 52 52 THR N N 45 109.646 112.580 -2.934 1
1 588 . 13 1 1 X 53 53 GLU H H 46 7.366 7.849 -0.483 1
1 589 . 13 1 1 X 53 53 GLU HA H 46 3.836 4.112 -0.276 1
1 594 . 13 1 1 X 53 53 GLU C C 46 173.418 174.773 -1.355 1
1 595 . 13 1 1 X 53 53 GLU CA C 46 57.709 57.454 0.255 1
1 596 . 13 1 1 X 53 53 GLU CB C 46 29.067 27.237 1.830 1
1 598 . 13 1 1 X 53 53 GLU N N 46 112.606 113.763 -1.157 1
1 599 . 13 1 1 X 54 54 HIS H H 47 7.127 6.986 0.141 1
1 600 . 13 1 1 X 54 54 HIS HA H 47 3.070 3.177 -0.107 1
1 605 . 13 1 1 X 54 54 HIS CA C 47 55.826 54.698 1.128 1
1 606 . 13 1 1 X 54 54 HIS CB C 47 32.124 30.746 1.378 1
1 609 . 13 1 1 X 54 54 HIS N N 47 119.651 119.563 0.088 1
1 610 . 13 1 1 X 55 55 PRO HA H 48 4.143 4.361 -0.218 1
1 617 . 13 1 1 X 55 55 PRO CA C 48 64.843 64.598 0.245 1
1 618 . 13 1 1 X 55 55 PRO CB C 48 32.350 31.694 0.656 1
1 621 . 13 1 1 X 56 56 ASP H H 49 10.605 7.931 2.674 1
1 622 . 13 1 1 X 56 56 ASP HA H 49 4.712 5.109 -0.397 1
1 625 . 13 1 1 X 56 56 ASP C C 49 178.187 177.340 0.847 1
1 626 . 13 1 1 X 56 56 ASP CA C 49 54.989 53.840 1.149 1
1 627 . 13 1 1 X 56 56 ASP CB C 49 40.657 42.072 -1.415 1
1 628 . 13 1 1 X 56 56 ASP N N 49 121.022 118.061 2.961 1
1 629 . 13 1 1 X 57 57 GLY H H 50 8.011 8.283 -0.272 1
1 630 . 13 1 1 X 57 57 GLY HA2 H 50 4.122 3.941 0.181 1
1 631 . 13 1 1 X 57 57 GLY HA3 H 50 3.701 4.006 -0.305 1
1 632 . 13 1 1 X 57 57 GLY C C 50 175.337 176.084 -0.747 1
1 633 . 13 1 1 X 57 57 GLY CA C 50 47.435 47.563 -0.128 1
1 634 . 13 1 1 X 57 57 GLY N N 50 108.190 109.339 -1.149 1
1 635 . 13 1 1 X 58 58 THR H H 51 9.047 8.250 0.797 1
1 636 . 13 1 1 X 58 58 THR HA H 51 3.730 4.184 -0.454 1
1 641 . 13 1 1 X 58 58 THR C C 51 176.082 176.256 -0.174 1
1 642 . 13 1 1 X 58 58 THR CA C 51 64.795 65.282 -0.487 1
1 643 . 13 1 1 X 58 58 THR CB C 51 68.398 68.989 -0.591 1
1 645 . 13 1 1 X 58 58 THR N N 51 114.996 117.213 -2.217 1
1 646 . 13 1 1 X 59 59 ALA H H 52 8.142 8.222 -0.080 1
1 647 . 13 1 1 X 59 59 ALA HA H 52 4.205 4.235 -0.030 1
1 651 . 13 1 1 X 59 59 ALA C C 52 179.373 180.105 -0.732 1
1 652 . 13 1 1 X 59 59 ALA CA C 52 55.625 55.237 0.388 1
1 653 . 13 1 1 X 59 59 ALA CB C 52 18.416 18.254 0.162 1
1 654 . 13 1 1 X 59 59 ALA N N 52 125.565 123.360 2.205 1
1 655 . 13 1 1 X 60 60 LEU H H 53 7.399 8.383 -0.984 1
1 656 . 13 1 1 X 60 60 LEU HA H 53 3.835 3.942 -0.107 1
1 666 . 13 1 1 X 60 60 LEU C C 53 178.601 179.149 -0.548 1
1 667 . 13 1 1 X 60 60 LEU CA C 53 58.031 58.140 -0.109 1
1 668 . 13 1 1 X 60 60 LEU CB C 53 43.487 41.819 1.668 1
1 672 . 13 1 1 X 60 60 LEU N N 53 114.763 118.138 -3.375 1
1 673 . 13 1 1 X 61 61 ILE H H 54 6.855 7.533 -0.678 1
1 674 . 13 1 1 X 61 61 ILE HA H 54 3.518 3.451 0.067 1
1 684 . 13 1 1 X 61 61 ILE C C 54 178.595 177.668 0.927 1
1 685 . 13 1 1 X 61 61 ILE CA C 54 62.989 65.036 -2.047 1
1 686 . 13 1 1 X 61 61 ILE CB C 54 38.424 37.471 0.953 1
1 690 . 13 1 1 X 61 61 ILE N N 54 114.394 119.734 -5.340 1
1 691 . 13 1 1 X 62 62 TYR H H 55 7.489 7.837 -0.348 1
1 692 . 13 1 1 X 62 62 TYR HA H 55 4.243 4.238 0.005 1
1 699 . 13 1 1 X 62 62 TYR C C 55 178.634 178.887 -0.253 1
1 700 . 13 1 1 X 62 62 TYR CA C 55 61.518 60.769 0.749 1
1 701 . 13 1 1 X 62 62 TYR CB C 55 37.566 37.773 -0.207 1
1 706 . 13 1 1 X 62 62 TYR N N 55 117.898 120.025 -2.127 1
1 707 . 13 1 1 X 63 63 GLU H H 56 8.659 9.078 -0.419 1
1 708 . 13 1 1 X 63 63 GLU HA H 56 4.441 4.120 0.321 1
1 713 . 13 1 1 X 63 63 GLU C C 56 177.785 178.761 -0.976 1
1 714 . 13 1 1 X 63 63 GLU CA C 56 57.658 59.417 -1.759 1
1 715 . 13 1 1 X 63 63 GLU CB C 56 29.034 29.092 -0.058 1
1 717 . 13 1 1 X 63 63 GLU N N 56 119.392 117.683 1.709 1
1 718 . 13 1 1 X 64 64 ALA H H 57 7.164 8.173 -1.009 1
1 719 . 13 1 1 X 64 64 ALA HA H 57 4.021 4.124 -0.103 1
1 723 . 13 1 1 X 64 64 ALA C C 57 180.327 180.099 0.228 1
1 724 . 13 1 1 X 64 64 ALA CA C 57 55.759 54.950 0.809 1
1 725 . 13 1 1 X 64 64 ALA CB C 57 18.615 18.144 0.471 1
1 726 . 13 1 1 X 64 64 ALA N N 57 121.778 122.312 -0.534 1
1 727 . 13 1 1 X 65 65 ALA H H 58 8.076 8.023 0.053 1
1 728 . 13 1 1 X 65 65 ALA HA H 58 4.137 3.989 0.148 1
1 732 . 13 1 1 X 65 65 ALA C C 58 180.248 179.427 0.821 1
1 733 . 13 1 1 X 65 65 ALA CA C 58 55.104 55.032 0.072 1
1 734 . 13 1 1 X 65 65 ALA CB C 58 18.071 18.209 -0.138 1
1 735 . 13 1 1 X 65 65 ALA N N 58 120.307 119.915 0.392 1
1 736 . 13 1 1 X 66 66 ALA H H 59 7.893 7.735 0.158 1
1 737 . 13 1 1 X 66 66 ALA HA H 59 4.170 4.073 0.097 1
1 741 . 13 1 1 X 66 66 ALA C C 59 180.838 179.648 1.190 1
1 742 . 13 1 1 X 66 66 ALA CA C 59 54.800 55.127 -0.327 1
1 743 . 13 1 1 X 66 66 ALA CB C 59 18.184 17.931 0.253 1
1 744 . 13 1 1 X 66 66 ALA N N 59 122.126 119.932 2.194 1
1 745 . 13 1 1 X 67 67 ARG H H 60 8.139 8.820 -0.681 1
1 746 . 13 1 1 X 67 67 ARG HA H 60 4.065 3.957 0.108 1
1 753 . 13 1 1 X 67 67 ARG C C 60 178.779 178.334 0.445 1
1 754 . 13 1 1 X 67 67 ARG CA C 60 59.282 59.656 -0.374 1
1 755 . 13 1 1 X 67 67 ARG CB C 60 30.863 29.978 0.885 1
1 758 . 13 1 1 X 67 67 ARG N N 60 118.948 117.878 1.070 1
1 759 . 13 1 1 X 68 68 ALA H H 61 7.891 8.430 -0.539 1
1 760 . 13 1 1 X 68 68 ALA HA H 61 4.141 4.166 -0.025 1
1 764 . 13 1 1 X 68 68 ALA C C 61 179.329 179.770 -0.441 1
1 765 . 13 1 1 X 68 68 ALA CA C 61 54.340 54.930 -0.590 1
1 766 . 13 1 1 X 68 68 ALA CB C 61 18.528 18.268 0.260 1
1 767 . 13 1 1 X 68 68 ALA N N 61 121.473 122.045 -0.572 1
1 768 . 13 1 1 X 69 69 ALA H H 62 7.663 8.461 -0.798 1
1 769 . 13 1 1 X 69 69 ALA HA H 62 4.133 4.108 0.025 1
1 773 . 13 1 1 X 69 69 ALA C C 62 178.591 179.509 -0.918 1
1 774 . 13 1 1 X 69 69 ALA CA C 62 53.863 55.031 -1.168 1
1 775 . 13 1 1 X 69 69 ALA CB C 62 18.438 18.598 -0.160 1
1 776 . 13 1 1 X 69 69 ALA N N 62 118.937 119.998 -1.061 1
1 777 . 13 1 1 X 70 70 ALA H H 63 7.488 7.778 -0.290 1
1 778 . 13 1 1 X 70 70 ALA HA H 63 4.280 4.357 -0.077 1
1 782 . 13 1 1 X 70 70 ALA C C 63 177.318 176.540 0.778 1
1 783 . 13 1 1 X 70 70 ALA CA C 63 52.981 51.885 1.096 1
1 784 . 13 1 1 X 70 70 ALA CB C 63 19.324 19.344 -0.020 1
1 785 . 13 1 1 X 70 70 ALA N N 63 118.642 117.147 1.495 1
1 786 . 13 1 1 X 71 71 ASN H H 64 7.631 8.072 -0.441 1
1 787 . 13 1 1 X 71 71 ASN HA H 64 5.077 5.099 -0.022 1
1 792 . 13 1 1 X 71 71 ASN CA C 64 50.877 53.826 -2.949 1
1 793 . 13 1 1 X 71 71 ASN CB C 64 39.243 36.965 2.278 1
1 795 . 13 1 1 X 71 71 ASN N N 64 116.008 113.459 2.549 1
1 797 . 13 1 1 X 72 72 PRO HA H 65 4.468 4.509 -0.041 1
1 804 . 13 1 1 X 72 72 PRO CA C 65 64.454 64.353 0.101 1
1 805 . 13 1 1 X 72 72 PRO CB C 65 32.007 32.047 -0.040 1
1 808 . 13 1 1 X 73 73 GLY H H 66 8.608 7.525 1.083 1
1 809 . 13 1 1 X 73 73 GLY HA2 H 66 3.978 4.091 -0.113 1
1 810 . 13 1 1 X 73 73 GLY HA3 H 66 3.978 4.094 -0.116 1
1 811 . 13 1 1 X 73 73 GLY C C 66 175.054 174.835 0.219 1
1 812 . 13 1 1 X 73 73 GLY CA C 66 45.521 45.164 0.357 1
1 813 . 13 1 1 X 73 73 GLY N N 66 109.435 101.835 7.600 1
1 814 . 13 1 1 X 74 74 GLY H H 67 8.085 8.960 -0.875 1
1 815 . 13 1 1 X 74 74 GLY HA2 H 67 4.132 3.877 0.255 1
1 816 . 13 1 1 X 74 74 GLY HA3 H 67 3.896 3.878 0.018 1
1 817 . 13 1 1 X 74 74 GLY C C 67 174.008 174.141 -0.133 1
1 818 . 13 1 1 X 74 74 GLY CA C 67 45.450 46.312 -0.862 1
1 819 . 13 1 1 X 74 74 GLY N N 67 108.472 109.809 -1.337 1
1 820 . 13 1 1 X 75 75 ASP H H 68 8.307 7.890 0.417 1
1 821 . 13 1 1 X 75 75 ASP HA H 68 4.646 4.288 0.358 1
1 824 . 13 1 1 X 75 75 ASP C C 68 176.933 177.322 -0.389 1
1 825 . 13 1 1 X 75 75 ASP CA C 68 54.226 56.016 -1.790 1
1 826 . 13 1 1 X 75 75 ASP CB C 68 41.486 40.457 1.029 1
1 827 . 13 1 1 X 75 75 ASP N N 68 119.941 121.238 -1.297 1
1 828 . 13 1 1 X 76 76 GLY H H 69 8.502 9.022 -0.520 1
1 829 . 13 1 1 X 76 76 GLY HA2 H 69 3.966 3.988 -0.022 1
1 830 . 13 1 1 X 76 76 GLY HA3 H 69 3.951 3.989 -0.038 1
1 831 . 13 1 1 X 76 76 GLY C C 69 174.771 174.953 -0.182 1
1 832 . 13 1 1 X 76 76 GLY CA C 69 45.744 45.230 0.514 1
1 833 . 13 1 1 X 76 76 GLY N N 69 109.061 114.796 -5.735 1
1 834 . 13 1 1 X 77 77 GLY H H 70 8.367 7.932 0.435 1
1 835 . 13 1 1 X 77 77 GLY HA2 H 70 4.092 3.973 0.119 1
1 836 . 13 1 1 X 77 77 GLY HA3 H 70 3.920 3.974 -0.054 1
1 837 . 13 1 1 X 77 77 GLY C C 70 174.782 174.014 0.768 1
1 838 . 13 1 1 X 77 77 GLY CA C 70 45.327 46.951 -1.624 1
1 839 . 13 1 1 X 77 77 GLY N N 70 108.393 107.607 0.786 1
1 840 . 13 1 1 X 78 78 GLY H H 71 8.263 7.863 0.400 1
1 841 . 13 1 1 X 78 78 GLY HA2 H 71 4.205 4.107 0.098 1
1 842 . 13 1 1 X 78 78 GLY HA3 H 71 4.092 4.119 -0.027 1
1 843 . 13 1 1 X 78 78 GLY CA C 71 45.581 44.441 1.140 1
1 844 . 13 1 1 X 78 78 GLY N N 71 108.388 112.035 -3.647 1
1 845 . 13 1 1 X 79 79 PRO HA H 72 4.199 4.270 -0.071 1
1 852 . 13 1 1 X 79 79 PRO C C 72 178.000 177.710 0.290 1
1 853 . 13 1 1 X 79 79 PRO CA C 72 65.568 64.889 0.679 1
1 854 . 13 1 1 X 79 79 PRO CB C 72 32.864 31.915 0.949 1
1 857 . 13 1 1 X 80 80 GLU H H 73 9.283 8.444 0.839 1
1 858 . 13 1 1 X 80 80 GLU HA H 73 3.833 4.247 -0.414 1
1 863 . 13 1 1 X 80 80 GLU C C 73 179.587 177.824 1.763 1
1 864 . 13 1 1 X 80 80 GLU CA C 73 61.125 57.223 3.902 1
1 865 . 13 1 1 X 80 80 GLU CB C 73 28.576 29.392 -0.816 1
1 867 . 13 1 1 X 80 80 GLU N N 73 117.078 116.523 0.555 1
1 868 . 13 1 1 X 81 81 GLY H H 74 7.926 7.664 0.262 1
1 869 . 13 1 1 X 81 81 GLY HA2 H 74 3.964 3.866 0.098 1
1 870 . 13 1 1 X 81 81 GLY HA3 H 74 3.914 3.880 0.034 1
1 871 . 13 1 1 X 81 81 GLY C C 74 176.538 176.325 0.213 1
1 872 . 13 1 1 X 81 81 GLY CA C 74 47.084 46.590 0.494 1
1 873 . 13 1 1 X 81 81 GLY N N 74 108.577 108.370 0.207 1
1 874 . 13 1 1 X 82 82 ILE H H 75 7.593 8.297 -0.704 1
1 875 . 13 1 1 X 82 82 ILE HA H 75 3.873 3.896 -0.023 1
1 885 . 13 1 1 X 82 82 ILE C C 75 178.147 178.238 -0.091 1
1 886 . 13 1 1 X 82 82 ILE CA C 75 65.342 64.430 0.912 1
1 887 . 13 1 1 X 82 82 ILE CB C 75 38.163 37.237 0.926 1
1 891 . 13 1 1 X 82 82 ILE N N 75 123.572 119.801 3.771 1
1 892 . 13 1 1 X 83 83 VAL H H 76 8.135 7.534 0.601 1
1 893 . 13 1 1 X 83 83 VAL HA H 76 3.575 4.131 -0.556 1
1 901 . 13 1 1 X 83 83 VAL C C 76 177.094 178.134 -1.040 1
1 902 . 13 1 1 X 83 83 VAL CA C 76 68.153 65.875 2.278 1
1 903 . 13 1 1 X 83 83 VAL CB C 76 31.653 31.549 0.104 1
1 906 . 13 1 1 X 83 83 VAL N N 76 118.553 119.436 -0.883 1
1 907 . 13 1 1 X 84 84 LYS H H 77 7.803 8.133 -0.330 1
1 908 . 13 1 1 X 84 84 LYS HA H 77 4.006 4.067 -0.061 1
1 917 . 13 1 1 X 84 84 LYS C C 77 178.064 178.654 -0.590 1
1 918 . 13 1 1 X 84 84 LYS CA C 77 60.516 59.299 1.217 1
1 919 . 13 1 1 X 84 84 LYS CB C 77 32.849 32.195 0.654 1
1 923 . 13 1 1 X 84 84 LYS N N 77 119.572 121.903 -2.331 1
1 924 . 13 1 1 X 85 85 GLU H H 78 7.629 7.999 -0.370 1
1 925 . 13 1 1 X 85 85 GLU HA H 78 4.246 4.139 0.107 1
1 930 . 13 1 1 X 85 85 GLU C C 78 179.834 179.349 0.485 1
1 931 . 13 1 1 X 85 85 GLU CA C 78 59.752 59.266 0.486 1
1 932 . 13 1 1 X 85 85 GLU CB C 78 29.189 29.742 -0.553 1
1 934 . 13 1 1 X 85 85 GLU N N 78 118.366 118.904 -0.538 1
1 935 . 13 1 1 X 86 86 ILE H H 79 8.432 8.427 0.005 1
1 936 . 13 1 1 X 86 86 ILE HA H 79 3.781 3.679 0.102 1
1 946 . 13 1 1 X 86 86 ILE C C 79 177.578 178.364 -0.786 1
1 947 . 13 1 1 X 86 86 ILE CA C 79 65.454 65.078 0.376 1
1 948 . 13 1 1 X 86 86 ILE CB C 79 37.940 37.777 0.163 1
1 952 . 13 1 1 X 86 86 ILE N N 79 118.975 120.814 -1.839 1
1 953 . 13 1 1 X 87 87 LYS H H 80 9.096 8.677 0.419 1
1 954 . 13 1 1 X 87 87 LYS HA H 80 3.958 3.824 0.134 1
1 963 . 13 1 1 X 87 87 LYS C C 80 180.285 178.455 1.830 1
1 964 . 13 1 1 X 87 87 LYS CA C 80 60.290 59.011 1.279 1
1 965 . 13 1 1 X 87 87 LYS CB C 80 33.299 32.044 1.255 1
1 969 . 13 1 1 X 87 87 LYS N N 80 119.805 120.409 -0.604 1
1 970 . 13 1 1 X 88 88 GLU H H 81 8.508 8.061 0.447 1
1 971 . 13 1 1 X 88 88 GLU HA H 81 4.099 4.091 0.008 1
1 976 . 13 1 1 X 88 88 GLU C C 81 179.195 178.958 0.237 1
1 977 . 13 1 1 X 88 88 GLU CA C 81 59.632 59.089 0.543 1
1 978 . 13 1 1 X 88 88 GLU CB C 81 29.649 29.444 0.205 1
1 980 . 13 1 1 X 88 88 GLU N N 81 118.920 119.260 -0.340 1
1 981 . 13 1 1 X 89 89 TRP H H 82 8.682 8.061 0.621 1
1 982 . 13 1 1 X 89 89 TRP HA H 82 4.201 4.310 -0.109 1
1 991 . 13 1 1 X 89 89 TRP C C 82 179.807 177.919 1.888 1
1 992 . 13 1 1 X 89 89 TRP CA C 82 63.110 61.112 1.998 1
1 993 . 13 1 1 X 89 89 TRP CB C 82 29.285 29.495 -0.210 1
1 999 . 13 1 1 X 89 89 TRP N N 82 122.152 121.672 0.480 1
1 1001 . 13 1 1 X 90 90 ARG H H 83 9.025 8.581 0.444 1
1 1002 . 13 1 1 X 90 90 ARG HA H 83 3.295 3.999 -0.704 1
1 1009 . 13 1 1 X 90 90 ARG C C 83 178.120 178.019 0.101 1
1 1010 . 13 1 1 X 90 90 ARG CA C 83 60.895 59.837 1.058 1
1 1011 . 13 1 1 X 90 90 ARG CB C 83 28.668 29.770 -1.102 1
1 1014 . 13 1 1 X 90 90 ARG N N 83 118.380 119.566 -1.186 1
1 1015 . 13 1 1 X 91 91 ALA H H 84 7.759 8.418 -0.659 1
1 1016 . 13 1 1 X 91 91 ALA HA H 84 4.151 4.100 0.051 1
1 1020 . 13 1 1 X 91 91 ALA C C 84 181.466 179.850 1.616 1
1 1021 . 13 1 1 X 91 91 ALA CA C 84 55.217 54.861 0.356 1
1 1022 . 13 1 1 X 91 91 ALA CB C 84 18.175 18.076 0.099 1
1 1023 . 13 1 1 X 91 91 ALA N N 84 120.210 120.508 -0.298 1
1 1024 . 13 1 1 X 92 92 ALA H H 85 7.943 8.356 -0.413 1
1 1025 . 13 1 1 X 92 92 ALA HA H 85 4.081 3.990 0.091 1
1 1029 . 13 1 1 X 92 92 ALA C C 85 178.324 180.135 -1.811 1
1 1030 . 13 1 1 X 92 92 ALA CA C 85 54.244 55.105 -0.861 1
1 1031 . 13 1 1 X 92 92 ALA CB C 85 18.306 17.933 0.373 1
1 1032 . 13 1 1 X 92 92 ALA N N 85 120.470 120.161 0.309 1
1 1033 . 13 1 1 X 93 93 ASN H H 86 7.005 7.663 -0.658 1
1 1034 . 13 1 1 X 93 93 ASN HA H 86 4.475 4.562 -0.087 1
1 1039 . 13 1 1 X 93 93 ASN C C 86 174.108 175.460 -1.352 1
1 1040 . 13 1 1 X 93 93 ASN CA C 86 53.347 53.178 0.169 1
1 1041 . 13 1 1 X 93 93 ASN CB C 86 39.379 38.663 0.716 1
1 1043 . 13 1 1 X 93 93 ASN N N 86 113.372 114.110 -0.738 1
1 1045 . 13 1 1 X 94 94 GLY H H 87 7.535 8.226 -0.691 1
1 1046 . 13 1 1 X 94 94 GLY HA2 H 87 3.810 3.880 -0.070 1
1 1047 . 13 1 1 X 94 94 GLY HA3 H 87 3.810 3.887 -0.077 1
1 1048 . 13 1 1 X 94 94 GLY C C 87 174.481 174.085 0.396 1
1 1049 . 13 1 1 X 94 94 GLY CA C 87 47.230 46.306 0.924 1
1 1050 . 13 1 1 X 94 94 GLY N N 87 108.152 107.798 0.354 1
1 1051 . 13 1 1 X 95 95 LYS H H 88 8.037 8.245 -0.208 1
1 1052 . 13 1 1 X 95 95 LYS HA H 88 4.654 4.735 -0.081 1
1 1061 . 13 1 1 X 95 95 LYS CA C 88 53.357 52.963 0.394 1
1 1062 . 13 1 1 X 95 95 LYS CB C 88 32.741 33.801 -1.060 1
1 1066 . 13 1 1 X 95 95 LYS N N 88 119.147 119.811 -0.664 1
1 1067 . 13 1 1 X 96 96 PRO HA H 89 4.275 4.459 -0.184 1
1 1074 . 13 1 1 X 96 96 PRO C C 89 176.696 176.297 0.399 1
1 1075 . 13 1 1 X 96 96 PRO CA C 89 63.482 63.196 0.286 1
1 1076 . 13 1 1 X 96 96 PRO CB C 89 32.981 31.988 0.993 1
1 1079 . 13 1 1 X 97 97 GLY H H 90 8.336 8.327 0.009 1
1 1080 . 13 1 1 X 97 97 GLY HA2 H 90 4.074 3.757 0.317 1
1 1081 . 13 1 1 X 97 97 GLY HA3 H 90 3.615 3.865 -0.250 1
1 1082 . 13 1 1 X 97 97 GLY C C 90 173.388 173.508 -0.120 1
1 1083 . 13 1 1 X 97 97 GLY CA C 90 43.347 44.558 -1.211 1
1 1084 . 13 1 1 X 97 97 GLY N N 90 110.343 107.792 2.551 1
1 1085 . 13 1 1 X 98 98 PHE H H 91 7.749 7.988 -0.239 1
1 1086 . 13 1 1 X 98 98 PHE HA H 91 4.527 4.718 -0.191 1
1 1094 . 13 1 1 X 98 98 PHE C C 91 177.021 175.459 1.562 1
1 1095 . 13 1 1 X 98 98 PHE CA C 91 59.184 58.153 1.031 1
1 1096 . 13 1 1 X 98 98 PHE CB C 91 40.005 40.205 -0.200 1
1 1102 . 13 1 1 X 98 98 PHE N N 91 116.151 120.680 -4.529 1
1 1103 . 13 1 1 X 99 99 LYS H H 92 8.531 9.300 -0.769 1
1 1104 . 13 1 1 X 99 99 LYS HA H 92 4.178 5.197 -1.019 1
1 1113 . 13 1 1 X 99 99 LYS C C 92 176.542 175.518 1.024 1
1 1114 . 13 1 1 X 99 99 LYS CA C 92 57.292 54.496 2.796 1
1 1115 . 13 1 1 X 99 99 LYS CB C 92 32.875 35.655 -2.780 1
1 1119 . 13 1 1 X 99 99 LYS N N 92 123.602 118.850 4.752 1
1 1120 . 13 1 1 X 100 100 GLN H H 93 8.633 8.513 0.120 1
1 1121 . 13 1 1 X 100 100 GLN HA H 93 4.297 5.239 -0.942 1
1 1128 . 13 1 1 X 100 100 GLN C C 93 175.318 175.893 -0.575 1
1 1129 . 13 1 1 X 100 100 GLN CA C 93 56.479 54.282 2.197 1
1 1130 . 13 1 1 X 100 100 GLN CB C 93 29.751 31.346 -1.595 1
1 1133 . 13 1 1 X 100 100 GLN N N 93 125.089 119.377 5.712 1
1 12 . 14 1 1 X 10 10 LEU H H 3 8.121 8.396 -0.275 1
1 13 . 14 1 1 X 10 10 LEU HA H 3 4.240 5.011 -0.771 1
1 23 . 14 1 1 X 10 10 LEU C C 3 176.909 176.818 0.091 1
1 24 . 14 1 1 X 10 10 LEU CA C 3 54.748 53.813 0.935 1
1 25 . 14 1 1 X 10 10 LEU CB C 3 41.272 42.690 -1.418 1
1 29 . 14 1 1 X 10 10 LEU N N 3 123.688 122.749 0.939 1
1 30 . 14 1 1 X 11 11 LYS H H 4 7.677 8.944 -1.267 1
1 31 . 14 1 1 X 11 11 LYS HA H 4 4.404 4.628 -0.224 1
1 40 . 14 1 1 X 11 11 LYS C C 4 176.184 176.910 -0.726 1
1 41 . 14 1 1 X 11 11 LYS CA C 4 55.828 54.593 1.235 1
1 42 . 14 1 1 X 11 11 LYS CB C 4 33.482 33.891 -0.409 1
1 46 . 14 1 1 X 11 11 LYS N N 4 122.221 121.899 0.322 1
1 47 . 14 1 1 X 12 12 ASN H H 5 8.538 8.783 -0.245 1
1 48 . 14 1 1 X 12 12 ASN HA H 5 4.685 5.150 -0.465 1
1 53 . 14 1 1 X 12 12 ASN C C 5 174.925 175.042 -0.117 1
1 54 . 14 1 1 X 12 12 ASN CA C 5 55.721 53.966 1.755 1
1 55 . 14 1 1 X 12 12 ASN CB C 5 40.409 40.923 -0.514 1
1 57 . 14 1 1 X 12 12 ASN N N 5 116.610 118.079 -1.469 1
1 59 . 14 1 1 X 13 13 SER H H 6 8.144 7.686 0.458 1
1 60 . 14 1 1 X 13 13 SER HA H 6 4.819 4.838 -0.019 1
1 63 . 14 1 1 X 13 13 SER C C 6 175.123 175.125 -0.002 1
1 64 . 14 1 1 X 13 13 SER CA C 6 56.778 55.681 1.097 1
1 65 . 14 1 1 X 13 13 SER CB C 6 65.949 67.102 -1.153 1
1 66 . 14 1 1 X 13 13 SER N N 6 112.138 110.363 1.775 1
1 67 . 14 1 1 X 14 14 ILE H H 7 9.318 8.805 0.513 1
1 68 . 14 1 1 X 14 14 ILE HA H 7 3.966 4.155 -0.189 1
1 78 . 14 1 1 X 14 14 ILE C C 7 175.537 178.166 -2.629 1
1 79 . 14 1 1 X 14 14 ILE CA C 7 64.956 64.147 0.809 1
1 80 . 14 1 1 X 14 14 ILE CB C 7 37.062 37.689 -0.627 1
1 84 . 14 1 1 X 14 14 ILE N N 7 126.034 125.422 0.612 1
1 85 . 14 1 1 X 15 15 SER H H 8 7.504 8.051 -0.547 1
1 86 . 14 1 1 X 15 15 SER HA H 8 4.694 4.681 0.013 1
1 89 . 14 1 1 X 15 15 SER C C 8 174.278 174.613 -0.335 1
1 90 . 14 1 1 X 15 15 SER CA C 8 59.481 59.232 0.249 1
1 91 . 14 1 1 X 15 15 SER CB C 8 63.241 63.693 -0.452 1
1 92 . 14 1 1 X 15 15 SER N N 8 112.517 117.461 -4.944 1
1 93 . 14 1 1 X 16 16 ASP H H 9 7.783 7.840 -0.057 1
1 94 . 14 1 1 X 16 16 ASP HA H 9 4.791 4.758 0.033 1
1 97 . 14 1 1 X 16 16 ASP C C 9 175.976 175.808 0.168 1
1 98 . 14 1 1 X 16 16 ASP CA C 9 55.243 53.669 1.574 1
1 99 . 14 1 1 X 16 16 ASP CB C 9 43.327 41.081 2.246 1
1 100 . 14 1 1 X 16 16 ASP N N 9 117.795 119.959 -2.164 1
1 101 . 14 1 1 X 17 17 TYR H H 10 8.279 7.670 0.609 1
1 102 . 14 1 1 X 17 17 TYR HA H 10 4.962 5.099 -0.137 1
1 109 . 14 1 1 X 17 17 TYR C C 10 177.535 176.309 1.226 1
1 110 . 14 1 1 X 17 17 TYR CA C 10 58.573 57.151 1.422 1
1 111 . 14 1 1 X 17 17 TYR CB C 10 41.015 40.374 0.641 1
1 116 . 14 1 1 X 17 17 TYR N N 10 120.484 118.204 2.280 1
1 117 . 14 1 1 X 18 18 THR H H 11 8.796 8.924 -0.128 1
1 118 . 14 1 1 X 18 18 THR HA H 11 5.040 5.152 -0.112 1
1 123 . 14 1 1 X 18 18 THR C C 11 176.099 176.037 0.062 1
1 124 . 14 1 1 X 18 18 THR CA C 11 60.775 60.810 -0.035 1
1 125 . 14 1 1 X 18 18 THR CB C 11 71.041 71.227 -0.186 1
1 127 . 14 1 1 X 18 18 THR N N 11 112.143 116.404 -4.261 1
1 128 . 14 1 1 X 19 19 GLU H H 12 9.173 9.074 0.099 1
1 129 . 14 1 1 X 19 19 GLU HA H 12 2.757 3.601 -0.844 1
1 134 . 14 1 1 X 19 19 GLU C C 12 178.378 178.443 -0.065 1
1 135 . 14 1 1 X 19 19 GLU CA C 12 60.906 59.126 1.780 1
1 136 . 14 1 1 X 19 19 GLU CB C 12 29.442 29.050 0.392 1
1 138 . 14 1 1 X 19 19 GLU N N 12 122.386 120.573 1.813 1
1 139 . 14 1 1 X 20 20 ALA H H 13 8.356 8.241 0.115 1
1 140 . 14 1 1 X 20 20 ALA HA H 13 4.069 4.149 -0.080 1
1 144 . 14 1 1 X 20 20 ALA C C 13 181.816 179.673 2.143 1
1 145 . 14 1 1 X 20 20 ALA CA C 13 55.388 54.959 0.429 1
1 146 . 14 1 1 X 20 20 ALA CB C 13 18.308 18.530 -0.222 1
1 147 . 14 1 1 X 20 20 ALA N N 13 118.695 122.094 -3.399 1
1 148 . 14 1 1 X 21 21 GLU H H 14 8.013 8.294 -0.281 1
1 149 . 14 1 1 X 21 21 GLU HA H 14 4.131 4.165 -0.034 1
1 154 . 14 1 1 X 21 21 GLU C C 14 179.649 179.350 0.299 1
1 155 . 14 1 1 X 21 21 GLU CA C 14 58.916 59.029 -0.113 1
1 156 . 14 1 1 X 21 21 GLU CB C 14 31.632 29.517 2.115 1
1 158 . 14 1 1 X 21 21 GLU N N 14 118.978 119.222 -0.244 1
1 159 . 14 1 1 X 22 22 PHE H H 15 8.635 8.300 0.335 1
1 160 . 14 1 1 X 22 22 PHE HA H 15 4.049 4.107 -0.058 1
1 167 . 14 1 1 X 22 22 PHE C C 15 177.402 177.679 -0.277 1
1 168 . 14 1 1 X 22 22 PHE CA C 15 62.183 61.015 1.168 1
1 169 . 14 1 1 X 22 22 PHE CB C 15 40.545 38.709 1.836 1
1 174 . 14 1 1 X 22 22 PHE N N 15 124.639 122.200 2.439 1
1 175 . 14 1 1 X 23 23 VAL H H 16 8.647 8.163 0.484 1
1 176 . 14 1 1 X 23 23 VAL HA H 16 3.416 3.744 -0.328 1
1 184 . 14 1 1 X 23 23 VAL C C 16 177.798 177.630 0.168 1
1 185 . 14 1 1 X 23 23 VAL CA C 16 67.917 66.607 1.310 1
1 186 . 14 1 1 X 23 23 VAL CB C 16 31.579 31.001 0.578 1
1 189 . 14 1 1 X 23 23 VAL N N 16 119.817 118.537 1.280 1
1 190 . 14 1 1 X 24 24 GLN H H 17 7.569 8.207 -0.638 1
1 191 . 14 1 1 X 24 24 GLN HA H 17 3.943 3.996 -0.053 1
1 198 . 14 1 1 X 24 24 GLN C C 17 178.313 178.167 0.146 1
1 199 . 14 1 1 X 24 24 GLN CA C 17 59.289 59.275 0.014 1
1 200 . 14 1 1 X 24 24 GLN CB C 17 27.814 28.056 -0.242 1
1 203 . 14 1 1 X 24 24 GLN N N 17 117.658 121.032 -3.374 1
1 205 . 14 1 1 X 25 25 LEU H H 18 7.512 7.526 -0.014 1
1 206 . 14 1 1 X 25 25 LEU HA H 18 4.136 4.005 0.131 1
1 216 . 14 1 1 X 25 25 LEU C C 18 178.440 178.130 0.310 1
1 217 . 14 1 1 X 25 25 LEU CA C 18 58.651 58.104 0.547 1
1 218 . 14 1 1 X 25 25 LEU CB C 18 40.626 41.228 -0.602 1
1 222 . 14 1 1 X 25 25 LEU N N 18 122.037 120.765 1.272 1
1 223 . 14 1 1 X 26 26 LEU H H 19 7.761 8.172 -0.411 1
1 224 . 14 1 1 X 26 26 LEU HA H 19 3.748 3.624 0.124 1
1 234 . 14 1 1 X 26 26 LEU C C 19 180.080 179.254 0.826 1
1 235 . 14 1 1 X 26 26 LEU CA C 19 58.041 57.424 0.617 1
1 236 . 14 1 1 X 26 26 LEU CB C 19 41.009 41.209 -0.200 1
1 240 . 14 1 1 X 26 26 LEU N N 19 118.502 118.079 0.423 1
1 241 . 14 1 1 X 27 27 LYS H H 20 8.357 8.431 -0.074 1
1 242 . 14 1 1 X 27 27 LYS HA H 20 4.019 3.994 0.025 1
1 251 . 14 1 1 X 27 27 LYS C C 20 179.559 179.490 0.069 1
1 252 . 14 1 1 X 27 27 LYS CA C 20 59.648 59.901 -0.253 1
1 253 . 14 1 1 X 27 27 LYS CB C 20 31.995 32.048 -0.053 1
1 257 . 14 1 1 X 27 27 LYS N N 20 120.427 118.463 1.964 1
1 258 . 14 1 1 X 28 28 GLU H H 21 8.123 7.631 0.492 1
1 259 . 14 1 1 X 28 28 GLU HA H 21 4.082 4.033 0.049 1
1 264 . 14 1 1 X 28 28 GLU C C 21 179.063 179.583 -0.520 1
1 265 . 14 1 1 X 28 28 GLU CA C 21 59.406 59.044 0.362 1
1 266 . 14 1 1 X 28 28 GLU CB C 21 29.146 29.487 -0.341 1
1 268 . 14 1 1 X 28 28 GLU N N 21 122.374 120.083 2.291 1
1 269 . 14 1 1 X 29 29 ILE H H 22 8.049 8.378 -0.329 1
1 270 . 14 1 1 X 29 29 ILE HA H 22 3.343 3.502 -0.159 1
1 280 . 14 1 1 X 29 29 ILE C C 22 177.151 177.776 -0.625 1
1 281 . 14 1 1 X 29 29 ILE CA C 22 66.435 65.673 0.762 1
1 282 . 14 1 1 X 29 29 ILE CB C 22 37.954 37.622 0.332 1
1 286 . 14 1 1 X 29 29 ILE N N 22 120.195 120.928 -0.733 1
1 287 . 14 1 1 X 30 30 GLU H H 23 7.820 8.100 -0.280 1
1 288 . 14 1 1 X 30 30 GLU HA H 23 3.983 3.791 0.192 1
1 293 . 14 1 1 X 30 30 GLU C C 23 178.990 178.884 0.106 1
1 294 . 14 1 1 X 30 30 GLU CA C 23 59.460 60.034 -0.574 1
1 295 . 14 1 1 X 30 30 GLU CB C 23 30.012 29.278 0.734 1
1 297 . 14 1 1 X 30 30 GLU N N 23 118.917 120.791 -1.874 1
1 298 . 14 1 1 X 31 31 LYS H H 24 7.678 7.787 -0.109 1
1 299 . 14 1 1 X 31 31 LYS HA H 24 4.059 3.944 0.115 1
1 308 . 14 1 1 X 31 31 LYS C C 24 179.231 179.620 -0.389 1
1 309 . 14 1 1 X 31 31 LYS CA C 24 59.152 59.679 -0.527 1
1 310 . 14 1 1 X 31 31 LYS CB C 24 32.712 32.137 0.575 1
1 314 . 14 1 1 X 31 31 LYS N N 24 118.807 119.846 -1.039 1
1 315 . 14 1 1 X 32 32 GLU H H 25 8.182 8.608 -0.426 1
1 316 . 14 1 1 X 32 32 GLU HA H 25 4.309 4.132 0.177 1
1 321 . 14 1 1 X 32 32 GLU C C 25 177.897 178.236 -0.339 1
1 322 . 14 1 1 X 32 32 GLU CA C 25 57.449 58.545 -1.096 1
1 323 . 14 1 1 X 32 32 GLU CB C 25 29.522 29.312 0.210 1
1 325 . 14 1 1 X 32 32 GLU N N 25 118.578 118.844 -0.266 1
1 326 . 14 1 1 X 33 33 ASN H H 26 8.343 7.633 0.710 1
1 327 . 14 1 1 X 33 33 ASN HA H 26 4.608 4.566 0.042 1
1 330 . 14 1 1 X 33 33 ASN C C 26 176.524 177.310 -0.786 1
1 331 . 14 1 1 X 33 33 ASN CA C 26 55.463 55.528 -0.065 1
1 332 . 14 1 1 X 33 33 ASN CB C 26 39.074 38.493 0.581 1
1 333 . 14 1 1 X 33 33 ASN N N 26 118.483 118.634 -0.151 1
1 334 . 14 1 1 X 34 34 VAL H H 27 7.434 7.996 -0.562 1
1 335 . 14 1 1 X 34 34 VAL HA H 27 4.182 3.928 0.254 1
1 343 . 14 1 1 X 34 34 VAL C C 27 176.315 178.109 -1.794 1
1 344 . 14 1 1 X 34 34 VAL CA C 27 62.829 63.475 -0.646 1
1 345 . 14 1 1 X 34 34 VAL CB C 27 32.178 31.731 0.447 1
1 348 . 14 1 1 X 34 34 VAL N N 27 114.036 116.982 -2.946 1
1 349 . 14 1 1 X 35 35 ALA H H 28 7.648 7.609 0.039 1
1 350 . 14 1 1 X 35 35 ALA HA H 28 4.346 4.234 0.112 1
1 354 . 14 1 1 X 35 35 ALA C C 28 177.126 176.844 0.282 1
1 355 . 14 1 1 X 35 35 ALA CA C 28 52.712 52.881 -0.169 1
1 356 . 14 1 1 X 35 35 ALA CB C 28 19.915 19.550 0.365 1
1 357 . 14 1 1 X 35 35 ALA N N 28 124.066 123.648 0.418 1
1 358 . 14 1 1 X 36 36 ALA H H 29 8.337 7.975 0.362 1
1 359 . 14 1 1 X 36 36 ALA HA H 29 4.260 4.032 0.228 1
1 363 . 14 1 1 X 36 36 ALA C C 29 177.999 175.896 2.103 1
1 364 . 14 1 1 X 36 36 ALA CA C 29 53.660 52.846 0.814 1
1 365 . 14 1 1 X 36 36 ALA CB C 29 19.175 17.504 1.671 1
1 366 . 14 1 1 X 36 36 ALA N N 29 121.695 119.800 1.895 1
1 367 . 14 1 1 X 37 37 THR H H 30 8.093 8.058 0.035 1
1 368 . 14 1 1 X 37 37 THR HA H 30 4.533 4.768 -0.235 1
1 373 . 14 1 1 X 37 37 THR C C 30 174.715 174.093 0.622 1
1 374 . 14 1 1 X 37 37 THR CA C 30 60.860 60.290 0.570 1
1 375 . 14 1 1 X 37 37 THR CB C 30 70.424 71.321 -0.897 1
1 377 . 14 1 1 X 37 37 THR N N 30 110.112 108.043 2.069 1
1 378 . 14 1 1 X 38 38 ASP H H 31 8.488 8.866 -0.378 1
1 379 . 14 1 1 X 38 38 ASP HA H 31 4.685 4.750 -0.065 1
1 382 . 14 1 1 X 38 38 ASP C C 31 175.896 177.270 -1.374 1
1 383 . 14 1 1 X 38 38 ASP CA C 31 54.704 55.575 -0.871 1
1 384 . 14 1 1 X 38 38 ASP CB C 31 41.389 42.877 -1.488 1
1 385 . 14 1 1 X 38 38 ASP N N 31 121.899 121.145 0.754 1
1 386 . 14 1 1 X 39 39 ASP H H 32 8.368 8.408 -0.040 1
1 387 . 14 1 1 X 39 39 ASP HA H 32 4.459 4.386 0.073 1
1 390 . 14 1 1 X 39 39 ASP C C 32 177.499 178.165 -0.666 1
1 391 . 14 1 1 X 39 39 ASP CA C 32 56.443 56.972 -0.529 1
1 392 . 14 1 1 X 39 39 ASP CB C 32 40.737 40.194 0.543 1
1 393 . 14 1 1 X 39 39 ASP N N 32 118.770 118.805 -0.035 1
1 394 . 14 1 1 X 40 40 VAL H H 33 7.963 8.023 -0.060 1
1 395 . 14 1 1 X 40 40 VAL HA H 33 3.800 3.872 -0.072 1
1 403 . 14 1 1 X 40 40 VAL C C 33 177.362 177.527 -0.165 1
1 404 . 14 1 1 X 40 40 VAL CA C 33 64.970 64.931 0.039 1
1 405 . 14 1 1 X 40 40 VAL CB C 33 32.256 31.746 0.510 1
1 408 . 14 1 1 X 40 40 VAL N N 33 119.409 118.590 0.819 1
1 409 . 14 1 1 X 41 41 LEU H H 34 8.508 8.009 0.499 1
1 410 . 14 1 1 X 41 41 LEU HA H 34 3.857 3.897 -0.040 1
1 420 . 14 1 1 X 41 41 LEU C C 34 177.633 177.878 -0.245 1
1 421 . 14 1 1 X 41 41 LEU CA C 34 58.428 58.580 -0.152 1
1 422 . 14 1 1 X 41 41 LEU CB C 34 41.755 41.219 0.536 1
1 426 . 14 1 1 X 41 41 LEU N N 34 122.150 122.821 -0.671 1
1 427 . 14 1 1 X 42 42 ASP H H 35 8.236 8.516 -0.280 1
1 428 . 14 1 1 X 42 42 ASP HA H 35 4.370 4.411 -0.041 1
1 431 . 14 1 1 X 42 42 ASP C C 35 179.155 178.862 0.293 1
1 432 . 14 1 1 X 42 42 ASP CA C 35 57.925 56.833 1.092 1
1 433 . 14 1 1 X 42 42 ASP CB C 35 40.417 40.839 -0.422 1
1 434 . 14 1 1 X 42 42 ASP N N 35 116.374 118.448 -2.074 1
1 435 . 14 1 1 X 43 43 VAL H H 36 7.320 7.748 -0.428 1
1 436 . 14 1 1 X 43 43 VAL HA H 36 3.782 3.609 0.173 1
1 444 . 14 1 1 X 43 43 VAL C C 36 179.309 178.449 0.860 1
1 445 . 14 1 1 X 43 43 VAL CA C 36 66.080 66.745 -0.665 1
1 446 . 14 1 1 X 43 43 VAL CB C 36 32.245 31.540 0.705 1
1 449 . 14 1 1 X 43 43 VAL N N 36 119.754 119.778 -0.024 1
1 450 . 14 1 1 X 44 44 LEU H H 37 8.122 8.217 -0.095 1
1 451 . 14 1 1 X 44 44 LEU HA H 37 4.008 4.047 -0.039 1
1 461 . 14 1 1 X 44 44 LEU C C 37 179.518 179.353 0.165 1
1 462 . 14 1 1 X 44 44 LEU CA C 37 58.048 57.856 0.192 1
1 463 . 14 1 1 X 44 44 LEU CB C 37 42.374 41.769 0.605 1
1 467 . 14 1 1 X 44 44 LEU N N 37 120.608 118.953 1.655 1
1 468 . 14 1 1 X 45 45 LEU H H 38 8.898 8.368 0.530 1
1 469 . 14 1 1 X 45 45 LEU HA H 38 4.030 3.931 0.099 1
1 479 . 14 1 1 X 45 45 LEU C C 38 179.166 179.553 -0.387 1
1 480 . 14 1 1 X 45 45 LEU CA C 38 58.184 58.209 -0.025 1
1 481 . 14 1 1 X 45 45 LEU CB C 38 41.506 41.571 -0.065 1
1 485 . 14 1 1 X 45 45 LEU N N 38 119.199 118.735 0.464 1
1 486 . 14 1 1 X 46 46 GLU H H 39 7.964 8.288 -0.324 1
1 487 . 14 1 1 X 46 46 GLU HA H 39 4.066 4.052 0.014 1
1 492 . 14 1 1 X 46 46 GLU C C 39 178.995 178.932 0.063 1
1 493 . 14 1 1 X 46 46 GLU CA C 39 59.769 59.590 0.179 1
1 494 . 14 1 1 X 46 46 GLU CB C 39 29.577 29.309 0.268 1
1 496 . 14 1 1 X 46 46 GLU N N 39 119.334 118.302 1.032 1
1 497 . 14 1 1 X 47 47 HIS H H 40 8.009 8.622 -0.613 1
1 498 . 14 1 1 X 47 47 HIS HA H 40 4.416 4.384 0.032 1
1 503 . 14 1 1 X 47 47 HIS C C 40 176.115 176.989 -0.874 1
1 504 . 14 1 1 X 47 47 HIS CA C 40 60.151 58.866 1.285 1
1 505 . 14 1 1 X 47 47 HIS CB C 40 30.389 30.552 -0.163 1
1 508 . 14 1 1 X 47 47 HIS N N 40 119.610 120.110 -0.500 1
1 509 . 14 1 1 X 48 48 PHE H H 41 8.711 8.554 0.157 1
1 510 . 14 1 1 X 48 48 PHE HA H 41 3.808 4.109 -0.301 1
1 518 . 14 1 1 X 48 48 PHE C C 41 178.023 177.300 0.723 1
1 519 . 14 1 1 X 48 48 PHE CA C 41 62.654 61.275 1.379 1
1 520 . 14 1 1 X 48 48 PHE CB C 41 39.408 39.239 0.169 1
1 526 . 14 1 1 X 48 48 PHE N N 41 118.110 120.162 -2.052 1
1 527 . 14 1 1 X 49 49 VAL H H 42 8.439 7.962 0.477 1
1 528 . 14 1 1 X 49 49 VAL HA H 42 3.359 3.738 -0.379 1
1 536 . 14 1 1 X 49 49 VAL C C 42 178.340 177.515 0.825 1
1 537 . 14 1 1 X 49 49 VAL CA C 42 67.276 64.342 2.934 1
1 538 . 14 1 1 X 49 49 VAL CB C 42 32.235 31.309 0.926 1
1 541 . 14 1 1 X 49 49 VAL N N 42 121.301 118.497 2.804 1
1 542 . 14 1 1 X 50 50 LYS H H 43 8.091 8.563 -0.472 1
1 543 . 14 1 1 X 50 50 LYS HA H 43 3.973 4.168 -0.195 1
1 552 . 14 1 1 X 50 50 LYS C C 43 178.985 178.144 0.841 1
1 553 . 14 1 1 X 50 50 LYS CA C 43 59.580 58.907 0.673 1
1 554 . 14 1 1 X 50 50 LYS CB C 43 32.784 31.735 1.049 1
1 558 . 14 1 1 X 50 50 LYS N N 43 120.887 119.779 1.108 1
1 559 . 14 1 1 X 51 51 ILE H H 44 8.347 7.240 1.107 1
1 560 . 14 1 1 X 51 51 ILE HA H 44 4.159 3.838 0.321 1
1 570 . 14 1 1 X 51 51 ILE C C 44 178.121 177.917 0.204 1
1 571 . 14 1 1 X 51 51 ILE CA C 44 62.328 64.069 -1.741 1
1 572 . 14 1 1 X 51 51 ILE CB C 44 37.576 37.504 0.072 1
1 576 . 14 1 1 X 51 51 ILE N N 44 111.354 117.039 -5.685 1
1 577 . 14 1 1 X 52 52 THR H H 45 7.588 7.488 0.100 1
1 578 . 14 1 1 X 52 52 THR HA H 45 3.683 4.037 -0.354 1
1 583 . 14 1 1 X 52 52 THR C C 45 176.285 174.980 1.305 1
1 584 . 14 1 1 X 52 52 THR CA C 45 65.803 63.213 2.590 1
1 585 . 14 1 1 X 52 52 THR CB C 45 69.689 69.805 -0.116 1
1 587 . 14 1 1 X 52 52 THR N N 45 109.646 112.774 -3.128 1
1 588 . 14 1 1 X 53 53 GLU H H 46 7.366 8.162 -0.796 1
1 589 . 14 1 1 X 53 53 GLU HA H 46 3.836 3.918 -0.082 1
1 594 . 14 1 1 X 53 53 GLU C C 46 173.418 174.613 -1.195 1
1 595 . 14 1 1 X 53 53 GLU CA C 46 57.709 57.459 0.250 1
1 596 . 14 1 1 X 53 53 GLU CB C 46 29.067 27.305 1.762 1
1 598 . 14 1 1 X 53 53 GLU N N 46 112.606 115.343 -2.737 1
1 599 . 14 1 1 X 54 54 HIS H H 47 7.127 7.120 0.007 1
1 600 . 14 1 1 X 54 54 HIS HA H 47 3.070 3.402 -0.332 1
1 605 . 14 1 1 X 54 54 HIS CA C 47 55.826 54.797 1.029 1
1 606 . 14 1 1 X 54 54 HIS CB C 47 32.124 30.851 1.273 1
1 609 . 14 1 1 X 54 54 HIS N N 47 119.651 119.174 0.477 1
1 610 . 14 1 1 X 55 55 PRO HA H 48 4.143 4.354 -0.211 1
1 617 . 14 1 1 X 55 55 PRO CA C 48 64.843 64.511 0.332 1
1 618 . 14 1 1 X 55 55 PRO CB C 48 32.350 31.614 0.736 1
1 621 . 14 1 1 X 56 56 ASP H H 49 10.605 7.758 2.847 1
1 622 . 14 1 1 X 56 56 ASP HA H 49 4.712 5.093 -0.381 1
1 625 . 14 1 1 X 56 56 ASP C C 49 178.187 177.218 0.969 1
1 626 . 14 1 1 X 56 56 ASP CA C 49 54.989 53.895 1.094 1
1 627 . 14 1 1 X 56 56 ASP CB C 49 40.657 42.157 -1.500 1
1 628 . 14 1 1 X 56 56 ASP N N 49 121.022 118.265 2.757 1
1 629 . 14 1 1 X 57 57 GLY H H 50 8.011 8.267 -0.256 1
1 630 . 14 1 1 X 57 57 GLY HA2 H 50 4.122 3.841 0.281 1
1 631 . 14 1 1 X 57 57 GLY HA3 H 50 3.701 3.869 -0.168 1
1 632 . 14 1 1 X 57 57 GLY C C 50 175.337 175.934 -0.597 1
1 633 . 14 1 1 X 57 57 GLY CA C 50 47.435 47.332 0.103 1
1 634 . 14 1 1 X 57 57 GLY N N 50 108.190 109.229 -1.039 1
1 635 . 14 1 1 X 58 58 THR H H 51 9.047 8.292 0.755 1
1 636 . 14 1 1 X 58 58 THR HA H 51 3.730 4.243 -0.513 1
1 641 . 14 1 1 X 58 58 THR C C 51 176.082 176.448 -0.366 1
1 642 . 14 1 1 X 58 58 THR CA C 51 64.795 65.506 -0.711 1
1 643 . 14 1 1 X 58 58 THR CB C 51 68.398 68.770 -0.372 1
1 645 . 14 1 1 X 58 58 THR N N 51 114.996 116.884 -1.888 1
1 646 . 14 1 1 X 59 59 ALA H H 52 8.142 8.124 0.018 1
1 647 . 14 1 1 X 59 59 ALA HA H 52 4.205 4.278 -0.073 1
1 651 . 14 1 1 X 59 59 ALA C C 52 179.373 180.124 -0.751 1
1 652 . 14 1 1 X 59 59 ALA CA C 52 55.625 55.249 0.376 1
1 653 . 14 1 1 X 59 59 ALA CB C 52 18.416 18.285 0.131 1
1 654 . 14 1 1 X 59 59 ALA N N 52 125.565 123.581 1.984 1
1 655 . 14 1 1 X 60 60 LEU H H 53 7.399 8.330 -0.931 1
1 656 . 14 1 1 X 60 60 LEU HA H 53 3.835 3.990 -0.155 1
1 666 . 14 1 1 X 60 60 LEU C C 53 178.601 179.270 -0.669 1
1 667 . 14 1 1 X 60 60 LEU CA C 53 58.031 58.056 -0.025 1
1 668 . 14 1 1 X 60 60 LEU CB C 53 43.487 41.573 1.914 1
1 672 . 14 1 1 X 60 60 LEU N N 53 114.763 118.214 -3.451 1
1 673 . 14 1 1 X 61 61 ILE H H 54 6.855 7.598 -0.743 1
1 674 . 14 1 1 X 61 61 ILE HA H 54 3.518 3.346 0.172 1
1 684 . 14 1 1 X 61 61 ILE C C 54 178.595 177.607 0.988 1
1 685 . 14 1 1 X 61 61 ILE CA C 54 62.989 64.947 -1.958 1
1 686 . 14 1 1 X 61 61 ILE CB C 54 38.424 37.357 1.067 1
1 690 . 14 1 1 X 61 61 ILE N N 54 114.394 120.266 -5.872 1
1 691 . 14 1 1 X 62 62 TYR H H 55 7.489 7.831 -0.342 1
1 692 . 14 1 1 X 62 62 TYR HA H 55 4.243 4.244 -0.001 1
1 699 . 14 1 1 X 62 62 TYR C C 55 178.634 178.720 -0.086 1
1 700 . 14 1 1 X 62 62 TYR CA C 55 61.518 60.617 0.901 1
1 701 . 14 1 1 X 62 62 TYR CB C 55 37.566 37.842 -0.276 1
1 706 . 14 1 1 X 62 62 TYR N N 55 117.898 119.006 -1.108 1
1 707 . 14 1 1 X 63 63 GLU H H 56 8.659 8.825 -0.166 1
1 708 . 14 1 1 X 63 63 GLU HA H 56 4.441 4.134 0.307 1
1 713 . 14 1 1 X 63 63 GLU C C 56 177.785 179.080 -1.295 1
1 714 . 14 1 1 X 63 63 GLU CA C 56 57.658 59.260 -1.602 1
1 715 . 14 1 1 X 63 63 GLU CB C 56 29.034 29.274 -0.240 1
1 717 . 14 1 1 X 63 63 GLU N N 56 119.392 117.882 1.510 1
1 718 . 14 1 1 X 64 64 ALA H H 57 7.164 8.407 -1.243 1
1 719 . 14 1 1 X 64 64 ALA HA H 57 4.021 4.454 -0.433 1
1 723 . 14 1 1 X 64 64 ALA C C 57 180.327 180.239 0.088 1
1 724 . 14 1 1 X 64 64 ALA CA C 57 55.759 54.982 0.777 1
1 725 . 14 1 1 X 64 64 ALA CB C 57 18.615 18.063 0.552 1
1 726 . 14 1 1 X 64 64 ALA N N 57 121.778 122.014 -0.236 1
1 727 . 14 1 1 X 65 65 ALA H H 58 8.076 8.406 -0.330 1
1 728 . 14 1 1 X 65 65 ALA HA H 58 4.137 3.970 0.167 1
1 732 . 14 1 1 X 65 65 ALA C C 58 180.248 179.297 0.951 1
1 733 . 14 1 1 X 65 65 ALA CA C 58 55.104 54.979 0.125 1
1 734 . 14 1 1 X 65 65 ALA CB C 58 18.071 18.550 -0.479 1
1 735 . 14 1 1 X 65 65 ALA N N 58 120.307 120.176 0.131 1
1 736 . 14 1 1 X 66 66 ALA H H 59 7.893 7.812 0.081 1
1 737 . 14 1 1 X 66 66 ALA HA H 59 4.170 4.052 0.118 1
1 741 . 14 1 1 X 66 66 ALA C C 59 180.838 179.748 1.090 1
1 742 . 14 1 1 X 66 66 ALA CA C 59 54.800 55.142 -0.342 1
1 743 . 14 1 1 X 66 66 ALA CB C 59 18.184 17.860 0.324 1
1 744 . 14 1 1 X 66 66 ALA N N 59 122.126 119.749 2.377 1
1 745 . 14 1 1 X 67 67 ARG H H 60 8.139 8.222 -0.083 1
1 746 . 14 1 1 X 67 67 ARG HA H 60 4.065 3.992 0.073 1
1 753 . 14 1 1 X 67 67 ARG C C 60 178.779 178.383 0.396 1
1 754 . 14 1 1 X 67 67 ARG CA C 60 59.282 59.582 -0.300 1
1 755 . 14 1 1 X 67 67 ARG CB C 60 30.863 29.643 1.220 1
1 758 . 14 1 1 X 67 67 ARG N N 60 118.948 118.109 0.839 1
1 759 . 14 1 1 X 68 68 ALA H H 61 7.891 8.350 -0.459 1
1 760 . 14 1 1 X 68 68 ALA HA H 61 4.141 4.302 -0.161 1
1 764 . 14 1 1 X 68 68 ALA C C 61 179.329 179.747 -0.418 1
1 765 . 14 1 1 X 68 68 ALA CA C 61 54.340 54.928 -0.588 1
1 766 . 14 1 1 X 68 68 ALA CB C 61 18.528 18.266 0.262 1
1 767 . 14 1 1 X 68 68 ALA N N 61 121.473 122.406 -0.933 1
1 768 . 14 1 1 X 69 69 ALA H H 62 7.663 8.176 -0.513 1
1 769 . 14 1 1 X 69 69 ALA HA H 62 4.133 4.074 0.059 1
1 773 . 14 1 1 X 69 69 ALA C C 62 178.591 177.692 0.899 1
1 774 . 14 1 1 X 69 69 ALA CA C 62 53.863 55.125 -1.262 1
1 775 . 14 1 1 X 69 69 ALA CB C 62 18.438 18.859 -0.421 1
1 776 . 14 1 1 X 69 69 ALA N N 62 118.937 119.046 -0.109 1
1 777 . 14 1 1 X 70 70 ALA H H 63 7.488 7.735 -0.247 1
1 778 . 14 1 1 X 70 70 ALA HA H 63 4.280 4.579 -0.299 1
1 782 . 14 1 1 X 70 70 ALA C C 63 177.318 175.946 1.372 1
1 783 . 14 1 1 X 70 70 ALA CA C 63 52.981 50.533 2.448 1
1 784 . 14 1 1 X 70 70 ALA CB C 63 19.324 19.092 0.232 1
1 785 . 14 1 1 X 70 70 ALA N N 63 118.642 118.997 -0.355 1
1 786 . 14 1 1 X 71 71 ASN H H 64 7.631 8.816 -1.185 1
1 787 . 14 1 1 X 71 71 ASN HA H 64 5.077 5.462 -0.385 1
1 792 . 14 1 1 X 71 71 ASN CA C 64 50.877 50.412 0.465 1
1 793 . 14 1 1 X 71 71 ASN CB C 64 39.243 39.477 -0.234 1
1 795 . 14 1 1 X 71 71 ASN N N 64 116.008 121.784 -5.776 1
1 797 . 14 1 1 X 72 72 PRO HA H 65 4.468 4.568 -0.100 1
1 804 . 14 1 1 X 72 72 PRO CA C 65 64.454 63.642 0.812 1
1 805 . 14 1 1 X 72 72 PRO CB C 65 32.007 32.242 -0.235 1
1 808 . 14 1 1 X 73 73 GLY H H 66 8.608 8.117 0.491 1
1 809 . 14 1 1 X 73 73 GLY HA2 H 66 3.978 3.923 0.055 1
1 810 . 14 1 1 X 73 73 GLY HA3 H 66 3.978 3.925 0.053 1
1 811 . 14 1 1 X 73 73 GLY C C 66 175.054 174.214 0.840 1
1 812 . 14 1 1 X 73 73 GLY CA C 66 45.521 46.165 -0.644 1
1 813 . 14 1 1 X 73 73 GLY N N 66 109.435 109.911 -0.476 1
1 814 . 14 1 1 X 74 74 GLY H H 67 8.085 8.546 -0.461 1
1 815 . 14 1 1 X 74 74 GLY HA2 H 67 4.132 4.043 0.089 1
1 816 . 14 1 1 X 74 74 GLY HA3 H 67 3.896 4.046 -0.150 1
1 817 . 14 1 1 X 74 74 GLY C C 67 174.008 174.248 -0.240 1
1 818 . 14 1 1 X 74 74 GLY CA C 67 45.450 45.017 0.433 1
1 819 . 14 1 1 X 74 74 GLY N N 67 108.472 108.213 0.259 1
1 820 . 14 1 1 X 75 75 ASP H H 68 8.307 8.977 -0.670 1
1 821 . 14 1 1 X 75 75 ASP HA H 68 4.646 4.750 -0.104 1
1 824 . 14 1 1 X 75 75 ASP C C 68 176.933 176.425 0.508 1
1 825 . 14 1 1 X 75 75 ASP CA C 68 54.226 55.253 -1.027 1
1 826 . 14 1 1 X 75 75 ASP CB C 68 41.486 42.389 -0.903 1
1 827 . 14 1 1 X 75 75 ASP N N 68 119.941 122.656 -2.715 1
1 828 . 14 1 1 X 76 76 GLY H H 69 8.502 7.968 0.534 1
1 829 . 14 1 1 X 76 76 GLY HA2 H 69 3.966 4.098 -0.132 1
1 830 . 14 1 1 X 76 76 GLY HA3 H 69 3.951 4.100 -0.149 1
1 831 . 14 1 1 X 76 76 GLY C C 69 174.771 174.180 0.591 1
1 832 . 14 1 1 X 76 76 GLY CA C 69 45.744 46.411 -0.667 1
1 833 . 14 1 1 X 76 76 GLY N N 69 109.061 105.951 3.110 1
1 834 . 14 1 1 X 77 77 GLY H H 70 8.367 9.001 -0.634 1
1 835 . 14 1 1 X 77 77 GLY HA2 H 70 4.092 3.994 0.098 1
1 836 . 14 1 1 X 77 77 GLY HA3 H 70 3.920 3.998 -0.078 1
1 837 . 14 1 1 X 77 77 GLY C C 70 174.782 173.629 1.153 1
1 838 . 14 1 1 X 77 77 GLY CA C 70 45.327 45.760 -0.433 1
1 839 . 14 1 1 X 77 77 GLY N N 70 108.393 111.796 -3.403 1
1 840 . 14 1 1 X 78 78 GLY H H 71 8.263 7.388 0.875 1
1 841 . 14 1 1 X 78 78 GLY HA2 H 71 4.205 4.103 0.102 1
1 842 . 14 1 1 X 78 78 GLY HA3 H 71 4.092 4.114 -0.022 1
1 843 . 14 1 1 X 78 78 GLY CA C 71 45.581 45.101 0.480 1
1 844 . 14 1 1 X 78 78 GLY N N 71 108.388 107.605 0.783 1
1 845 . 14 1 1 X 79 79 PRO HA H 72 4.199 4.222 -0.023 1
1 852 . 14 1 1 X 79 79 PRO C C 72 178.000 177.799 0.201 1
1 853 . 14 1 1 X 79 79 PRO CA C 72 65.568 65.091 0.477 1
1 854 . 14 1 1 X 79 79 PRO CB C 72 32.864 31.769 1.095 1
1 857 . 14 1 1 X 80 80 GLU H H 73 9.283 8.545 0.738 1
1 858 . 14 1 1 X 80 80 GLU HA H 73 3.833 4.147 -0.314 1
1 863 . 14 1 1 X 80 80 GLU C C 73 179.587 177.859 1.728 1
1 864 . 14 1 1 X 80 80 GLU CA C 73 61.125 58.264 2.861 1
1 865 . 14 1 1 X 80 80 GLU CB C 73 28.576 29.161 -0.585 1
1 867 . 14 1 1 X 80 80 GLU N N 73 117.078 116.918 0.160 1
1 868 . 14 1 1 X 81 81 GLY H H 74 7.926 8.006 -0.080 1
1 869 . 14 1 1 X 81 81 GLY HA2 H 74 3.964 4.003 -0.039 1
1 870 . 14 1 1 X 81 81 GLY HA3 H 74 3.914 4.013 -0.099 1
1 871 . 14 1 1 X 81 81 GLY C C 74 176.538 175.397 1.141 1
1 872 . 14 1 1 X 81 81 GLY CA C 74 47.084 45.462 1.622 1
1 873 . 14 1 1 X 81 81 GLY N N 74 108.577 108.365 0.212 1
1 874 . 14 1 1 X 82 82 ILE H H 75 7.593 7.706 -0.113 1
1 875 . 14 1 1 X 82 82 ILE HA H 75 3.873 3.837 0.036 1
1 885 . 14 1 1 X 82 82 ILE C C 75 178.147 178.108 0.039 1
1 886 . 14 1 1 X 82 82 ILE CA C 75 65.342 64.777 0.565 1
1 887 . 14 1 1 X 82 82 ILE CB C 75 38.163 37.493 0.670 1
1 891 . 14 1 1 X 82 82 ILE N N 75 123.572 122.422 1.150 1
1 892 . 14 1 1 X 83 83 VAL H H 76 8.135 7.751 0.384 1
1 893 . 14 1 1 X 83 83 VAL HA H 76 3.575 4.063 -0.488 1
1 901 . 14 1 1 X 83 83 VAL C C 76 177.094 178.073 -0.979 1
1 902 . 14 1 1 X 83 83 VAL CA C 76 68.153 65.534 2.619 1
1 903 . 14 1 1 X 83 83 VAL CB C 76 31.653 31.217 0.436 1
1 906 . 14 1 1 X 83 83 VAL N N 76 118.553 121.191 -2.638 1
1 907 . 14 1 1 X 84 84 LYS H H 77 7.803 8.144 -0.341 1
1 908 . 14 1 1 X 84 84 LYS HA H 77 4.006 4.060 -0.054 1
1 917 . 14 1 1 X 84 84 LYS C C 77 178.064 179.043 -0.979 1
1 918 . 14 1 1 X 84 84 LYS CA C 77 60.516 59.565 0.951 1
1 919 . 14 1 1 X 84 84 LYS CB C 77 32.849 32.325 0.524 1
1 923 . 14 1 1 X 84 84 LYS N N 77 119.572 120.968 -1.396 1
1 924 . 14 1 1 X 85 85 GLU H H 78 7.629 7.888 -0.259 1
1 925 . 14 1 1 X 85 85 GLU HA H 78 4.246 4.116 0.130 1
1 930 . 14 1 1 X 85 85 GLU C C 78 179.834 179.206 0.628 1
1 931 . 14 1 1 X 85 85 GLU CA C 78 59.752 59.140 0.612 1
1 932 . 14 1 1 X 85 85 GLU CB C 78 29.189 29.406 -0.217 1
1 934 . 14 1 1 X 85 85 GLU N N 78 118.366 118.455 -0.089 1
1 935 . 14 1 1 X 86 86 ILE H H 79 8.432 7.924 0.508 1
1 936 . 14 1 1 X 86 86 ILE HA H 79 3.781 3.777 0.004 1
1 946 . 14 1 1 X 86 86 ILE C C 79 177.578 178.248 -0.670 1
1 947 . 14 1 1 X 86 86 ILE CA C 79 65.454 65.033 0.421 1
1 948 . 14 1 1 X 86 86 ILE CB C 79 37.940 38.110 -0.170 1
1 952 . 14 1 1 X 86 86 ILE N N 79 118.975 120.811 -1.836 1
1 953 . 14 1 1 X 87 87 LYS H H 80 9.096 8.657 0.439 1
1 954 . 14 1 1 X 87 87 LYS HA H 80 3.958 4.106 -0.148 1
1 963 . 14 1 1 X 87 87 LYS C C 80 180.285 178.521 1.764 1
1 964 . 14 1 1 X 87 87 LYS CA C 80 60.290 59.203 1.087 1
1 965 . 14 1 1 X 87 87 LYS CB C 80 33.299 32.149 1.150 1
1 969 . 14 1 1 X 87 87 LYS N N 80 119.805 120.596 -0.791 1
1 970 . 14 1 1 X 88 88 GLU H H 81 8.508 8.075 0.433 1
1 971 . 14 1 1 X 88 88 GLU HA H 81 4.099 4.114 -0.015 1
1 976 . 14 1 1 X 88 88 GLU C C 81 179.195 178.894 0.301 1
1 977 . 14 1 1 X 88 88 GLU CA C 81 59.632 59.242 0.390 1
1 978 . 14 1 1 X 88 88 GLU CB C 81 29.649 29.320 0.329 1
1 980 . 14 1 1 X 88 88 GLU N N 81 118.920 119.449 -0.529 1
1 981 . 14 1 1 X 89 89 TRP H H 82 8.682 8.202 0.480 1
1 982 . 14 1 1 X 89 89 TRP HA H 82 4.201 4.297 -0.096 1
1 991 . 14 1 1 X 89 89 TRP C C 82 179.807 177.931 1.876 1
1 992 . 14 1 1 X 89 89 TRP CA C 82 63.110 60.758 2.352 1
1 993 . 14 1 1 X 89 89 TRP CB C 82 29.285 29.869 -0.584 1
1 999 . 14 1 1 X 89 89 TRP N N 82 122.152 122.055 0.097 1
1 1001 . 14 1 1 X 90 90 ARG H H 83 9.025 8.804 0.221 1
1 1002 . 14 1 1 X 90 90 ARG HA H 83 3.295 3.942 -0.647 1
1 1009 . 14 1 1 X 90 90 ARG C C 83 178.120 177.968 0.152 1
1 1010 . 14 1 1 X 90 90 ARG CA C 83 60.895 59.753 1.142 1
1 1011 . 14 1 1 X 90 90 ARG CB C 83 28.668 29.701 -1.033 1
1 1014 . 14 1 1 X 90 90 ARG N N 83 118.380 119.372 -0.992 1
1 1015 . 14 1 1 X 91 91 ALA H H 84 7.759 8.014 -0.255 1
1 1016 . 14 1 1 X 91 91 ALA HA H 84 4.151 4.112 0.039 1
1 1020 . 14 1 1 X 91 91 ALA C C 84 181.466 179.845 1.621 1
1 1021 . 14 1 1 X 91 91 ALA CA C 84 55.217 54.867 0.350 1
1 1022 . 14 1 1 X 91 91 ALA CB C 84 18.175 18.068 0.107 1
1 1023 . 14 1 1 X 91 91 ALA N N 84 120.210 120.562 -0.352 1
1 1024 . 14 1 1 X 92 92 ALA H H 85 7.943 7.806 0.137 1
1 1025 . 14 1 1 X 92 92 ALA HA H 85 4.081 4.031 0.050 1
1 1029 . 14 1 1 X 92 92 ALA C C 85 178.324 179.149 -0.825 1
1 1030 . 14 1 1 X 92 92 ALA CA C 85 54.244 55.048 -0.804 1
1 1031 . 14 1 1 X 92 92 ALA CB C 85 18.306 18.240 0.066 1
1 1032 . 14 1 1 X 92 92 ALA N N 85 120.470 120.644 -0.174 1
1 1033 . 14 1 1 X 93 93 ASN H H 86 7.005 7.993 -0.988 1
1 1034 . 14 1 1 X 93 93 ASN HA H 86 4.475 4.401 0.074 1
1 1039 . 14 1 1 X 93 93 ASN C C 86 174.108 175.316 -1.208 1
1 1040 . 14 1 1 X 93 93 ASN CA C 86 53.347 53.658 -0.311 1
1 1041 . 14 1 1 X 93 93 ASN CB C 86 39.379 38.555 0.824 1
1 1043 . 14 1 1 X 93 93 ASN N N 86 113.372 114.104 -0.732 1
1 1045 . 14 1 1 X 94 94 GLY H H 87 7.535 8.026 -0.491 1
1 1046 . 14 1 1 X 94 94 GLY HA2 H 87 3.810 3.945 -0.135 1
1 1047 . 14 1 1 X 94 94 GLY HA3 H 87 3.810 3.955 -0.145 1
1 1048 . 14 1 1 X 94 94 GLY C C 87 174.481 174.042 0.439 1
1 1049 . 14 1 1 X 94 94 GLY CA C 87 47.230 45.553 1.677 1
1 1050 . 14 1 1 X 94 94 GLY N N 87 108.152 106.661 1.491 1
1 1051 . 14 1 1 X 95 95 LYS H H 88 8.037 8.192 -0.155 1
1 1052 . 14 1 1 X 95 95 LYS HA H 88 4.654 4.731 -0.077 1
1 1061 . 14 1 1 X 95 95 LYS CA C 88 53.357 52.934 0.423 1
1 1062 . 14 1 1 X 95 95 LYS CB C 88 32.741 33.603 -0.862 1
1 1066 . 14 1 1 X 95 95 LYS N N 88 119.147 119.800 -0.653 1
1 1067 . 14 1 1 X 96 96 PRO HA H 89 4.275 4.497 -0.222 1
1 1074 . 14 1 1 X 96 96 PRO C C 89 176.696 176.605 0.091 1
1 1075 . 14 1 1 X 96 96 PRO CA C 89 63.482 63.154 0.328 1
1 1076 . 14 1 1 X 96 96 PRO CB C 89 32.981 31.939 1.042 1
1 1079 . 14 1 1 X 97 97 GLY H H 90 8.336 8.487 -0.151 1
1 1080 . 14 1 1 X 97 97 GLY HA2 H 90 4.074 3.755 0.319 1
1 1081 . 14 1 1 X 97 97 GLY HA3 H 90 3.615 3.798 -0.183 1
1 1082 . 14 1 1 X 97 97 GLY C C 90 173.388 173.529 -0.141 1
1 1083 . 14 1 1 X 97 97 GLY CA C 90 43.347 44.269 -0.922 1
1 1084 . 14 1 1 X 97 97 GLY N N 90 110.343 107.465 2.878 1
1 1085 . 14 1 1 X 98 98 PHE H H 91 7.749 8.182 -0.433 1
1 1086 . 14 1 1 X 98 98 PHE HA H 91 4.527 4.943 -0.416 1
1 1094 . 14 1 1 X 98 98 PHE C C 91 177.021 175.619 1.402 1
1 1095 . 14 1 1 X 98 98 PHE CA C 91 59.184 58.231 0.953 1
1 1096 . 14 1 1 X 98 98 PHE CB C 91 40.005 40.258 -0.253 1
1 1102 . 14 1 1 X 98 98 PHE N N 91 116.151 120.651 -4.500 1
1 1103 . 14 1 1 X 99 99 LYS H H 92 8.531 8.893 -0.362 1
1 1104 . 14 1 1 X 99 99 LYS HA H 92 4.178 4.535 -0.357 1
1 1113 . 14 1 1 X 99 99 LYS C C 92 176.542 176.153 0.389 1
1 1114 . 14 1 1 X 99 99 LYS CA C 92 57.292 55.944 1.348 1
1 1115 . 14 1 1 X 99 99 LYS CB C 92 32.875 33.578 -0.703 1
1 1119 . 14 1 1 X 99 99 LYS N N 92 123.602 119.867 3.735 1
1 1120 . 14 1 1 X 100 100 GLN H H 93 8.633 8.574 0.059 1
1 1121 . 14 1 1 X 100 100 GLN HA H 93 4.297 5.073 -0.776 1
1 1128 . 14 1 1 X 100 100 GLN C C 93 175.318 176.089 -0.771 1
1 1129 . 14 1 1 X 100 100 GLN CA C 93 56.479 54.698 1.781 1
1 1130 . 14 1 1 X 100 100 GLN CB C 93 29.751 30.502 -0.751 1
1 1133 . 14 1 1 X 100 100 GLN N N 93 125.089 120.398 4.691 1
1 12 . 15 1 1 X 10 10 LEU H H 3 8.121 8.375 -0.254 1
1 13 . 15 1 1 X 10 10 LEU HA H 3 4.240 5.169 -0.929 1
1 23 . 15 1 1 X 10 10 LEU C C 3 176.909 176.355 0.554 1
1 24 . 15 1 1 X 10 10 LEU CA C 3 54.748 53.747 1.001 1
1 25 . 15 1 1 X 10 10 LEU CB C 3 41.272 42.865 -1.593 1
1 29 . 15 1 1 X 10 10 LEU N N 3 123.688 123.914 -0.226 1
1 30 . 15 1 1 X 11 11 LYS H H 4 7.677 8.745 -1.068 1
1 31 . 15 1 1 X 11 11 LYS HA H 4 4.404 4.684 -0.280 1
1 40 . 15 1 1 X 11 11 LYS C C 4 176.184 177.199 -1.015 1
1 41 . 15 1 1 X 11 11 LYS CA C 4 55.828 54.352 1.476 1
1 42 . 15 1 1 X 11 11 LYS CB C 4 33.482 34.495 -1.013 1
1 46 . 15 1 1 X 11 11 LYS N N 4 122.221 121.684 0.537 1
1 47 . 15 1 1 X 12 12 ASN H H 5 8.538 8.971 -0.433 1
1 48 . 15 1 1 X 12 12 ASN HA H 5 4.685 4.926 -0.241 1
1 53 . 15 1 1 X 12 12 ASN C C 5 174.925 175.171 -0.246 1
1 54 . 15 1 1 X 12 12 ASN CA C 5 55.721 53.891 1.830 1
1 55 . 15 1 1 X 12 12 ASN CB C 5 40.409 39.058 1.351 1
1 57 . 15 1 1 X 12 12 ASN N N 5 116.610 122.153 -5.543 1
1 59 . 15 1 1 X 13 13 SER H H 6 8.144 7.529 0.615 1
1 60 . 15 1 1 X 13 13 SER HA H 6 4.819 4.652 0.167 1
1 63 . 15 1 1 X 13 13 SER C C 6 175.123 174.783 0.340 1
1 64 . 15 1 1 X 13 13 SER CA C 6 56.778 56.358 0.420 1
1 65 . 15 1 1 X 13 13 SER CB C 6 65.949 66.111 -0.162 1
1 66 . 15 1 1 X 13 13 SER N N 6 112.138 109.777 2.361 1
1 67 . 15 1 1 X 14 14 ILE H H 7 9.318 8.595 0.723 1
1 68 . 15 1 1 X 14 14 ILE HA H 7 3.966 4.029 -0.063 1
1 78 . 15 1 1 X 14 14 ILE C C 7 175.537 177.084 -1.547 1
1 79 . 15 1 1 X 14 14 ILE CA C 7 64.956 63.395 1.561 1
1 80 . 15 1 1 X 14 14 ILE CB C 7 37.062 37.812 -0.750 1
1 84 . 15 1 1 X 14 14 ILE N N 7 126.034 124.722 1.312 1
1 85 . 15 1 1 X 15 15 SER H H 8 7.504 7.839 -0.335 1
1 86 . 15 1 1 X 15 15 SER HA H 8 4.694 4.164 0.530 1
1 89 . 15 1 1 X 15 15 SER C C 8 174.278 175.313 -1.035 1
1 90 . 15 1 1 X 15 15 SER CA C 8 59.481 60.595 -1.114 1
1 91 . 15 1 1 X 15 15 SER CB C 8 63.241 62.821 0.420 1
1 92 . 15 1 1 X 15 15 SER N N 8 112.517 116.480 -3.963 1
1 93 . 15 1 1 X 16 16 ASP H H 9 7.783 7.525 0.258 1
1 94 . 15 1 1 X 16 16 ASP HA H 9 4.791 4.699 0.092 1
1 97 . 15 1 1 X 16 16 ASP C C 9 175.976 175.721 0.255 1
1 98 . 15 1 1 X 16 16 ASP CA C 9 55.243 53.331 1.912 1
1 99 . 15 1 1 X 16 16 ASP CB C 9 43.327 41.075 2.252 1
1 100 . 15 1 1 X 16 16 ASP N N 9 117.795 120.340 -2.545 1
1 101 . 15 1 1 X 17 17 TYR H H 10 8.279 7.688 0.591 1
1 102 . 15 1 1 X 17 17 TYR HA H 10 4.962 5.072 -0.110 1
1 109 . 15 1 1 X 17 17 TYR C C 10 177.535 176.232 1.303 1
1 110 . 15 1 1 X 17 17 TYR CA C 10 58.573 57.154 1.419 1
1 111 . 15 1 1 X 17 17 TYR CB C 10 41.015 39.985 1.030 1
1 116 . 15 1 1 X 17 17 TYR N N 10 120.484 119.099 1.385 1
1 117 . 15 1 1 X 18 18 THR H H 11 8.796 8.956 -0.160 1
1 118 . 15 1 1 X 18 18 THR HA H 11 5.040 4.893 0.147 1
1 123 . 15 1 1 X 18 18 THR C C 11 176.099 176.268 -0.169 1
1 124 . 15 1 1 X 18 18 THR CA C 11 60.775 60.673 0.102 1
1 125 . 15 1 1 X 18 18 THR CB C 11 71.041 71.434 -0.393 1
1 127 . 15 1 1 X 18 18 THR N N 11 112.143 116.747 -4.604 1
1 128 . 15 1 1 X 19 19 GLU H H 12 9.173 9.153 0.020 1
1 129 . 15 1 1 X 19 19 GLU HA H 12 2.757 3.955 -1.198 1
1 134 . 15 1 1 X 19 19 GLU C C 12 178.378 178.558 -0.180 1
1 135 . 15 1 1 X 19 19 GLU CA C 12 60.906 59.292 1.614 1
1 136 . 15 1 1 X 19 19 GLU CB C 12 29.442 28.993 0.449 1
1 138 . 15 1 1 X 19 19 GLU N N 12 122.386 120.976 1.410 1
1 139 . 15 1 1 X 20 20 ALA H H 13 8.356 8.326 0.030 1
1 140 . 15 1 1 X 20 20 ALA HA H 13 4.069 4.218 -0.149 1
1 144 . 15 1 1 X 20 20 ALA C C 13 181.816 179.783 2.033 1
1 145 . 15 1 1 X 20 20 ALA CA C 13 55.388 55.008 0.380 1
1 146 . 15 1 1 X 20 20 ALA CB C 13 18.308 18.547 -0.239 1
1 147 . 15 1 1 X 20 20 ALA N N 13 118.695 122.256 -3.561 1
1 148 . 15 1 1 X 21 21 GLU H H 14 8.013 8.430 -0.417 1
1 149 . 15 1 1 X 21 21 GLU HA H 14 4.131 4.180 -0.049 1
1 154 . 15 1 1 X 21 21 GLU C C 14 179.649 179.589 0.060 1
1 155 . 15 1 1 X 21 21 GLU CA C 14 58.916 59.290 -0.374 1
1 156 . 15 1 1 X 21 21 GLU CB C 14 31.632 29.696 1.936 1
1 158 . 15 1 1 X 21 21 GLU N N 14 118.978 119.222 -0.244 1
1 159 . 15 1 1 X 22 22 PHE H H 15 8.635 8.478 0.157 1
1 160 . 15 1 1 X 22 22 PHE HA H 15 4.049 4.234 -0.185 1
1 167 . 15 1 1 X 22 22 PHE C C 15 177.402 177.776 -0.374 1
1 168 . 15 1 1 X 22 22 PHE CA C 15 62.183 61.254 0.929 1
1 169 . 15 1 1 X 22 22 PHE CB C 15 40.545 39.236 1.309 1
1 174 . 15 1 1 X 22 22 PHE N N 15 124.639 122.039 2.600 1
1 175 . 15 1 1 X 23 23 VAL H H 16 8.647 8.418 0.229 1
1 176 . 15 1 1 X 23 23 VAL HA H 16 3.416 3.773 -0.357 1
1 184 . 15 1 1 X 23 23 VAL C C 16 177.798 177.760 0.038 1
1 185 . 15 1 1 X 23 23 VAL CA C 16 67.917 66.818 1.099 1
1 186 . 15 1 1 X 23 23 VAL CB C 16 31.579 30.795 0.784 1
1 189 . 15 1 1 X 23 23 VAL N N 16 119.817 118.744 1.073 1
1 190 . 15 1 1 X 24 24 GLN H H 17 7.569 8.040 -0.471 1
1 191 . 15 1 1 X 24 24 GLN HA H 17 3.943 3.992 -0.049 1
1 198 . 15 1 1 X 24 24 GLN C C 17 178.313 178.184 0.129 1
1 199 . 15 1 1 X 24 24 GLN CA C 17 59.289 59.062 0.227 1
1 200 . 15 1 1 X 24 24 GLN CB C 17 27.814 28.061 -0.247 1
1 203 . 15 1 1 X 24 24 GLN N N 17 117.658 121.123 -3.465 1
1 205 . 15 1 1 X 25 25 LEU H H 18 7.512 7.614 -0.102 1
1 206 . 15 1 1 X 25 25 LEU HA H 18 4.136 4.061 0.075 1
1 216 . 15 1 1 X 25 25 LEU C C 18 178.440 178.152 0.288 1
1 217 . 15 1 1 X 25 25 LEU CA C 18 58.651 58.160 0.491 1
1 218 . 15 1 1 X 25 25 LEU CB C 18 40.626 41.303 -0.677 1
1 222 . 15 1 1 X 25 25 LEU N N 18 122.037 121.206 0.831 1
1 223 . 15 1 1 X 26 26 LEU H H 19 7.761 8.432 -0.671 1
1 224 . 15 1 1 X 26 26 LEU HA H 19 3.748 3.634 0.114 1
1 234 . 15 1 1 X 26 26 LEU C C 19 180.080 179.153 0.927 1
1 235 . 15 1 1 X 26 26 LEU CA C 19 58.041 57.776 0.265 1
1 236 . 15 1 1 X 26 26 LEU CB C 19 41.009 41.193 -0.184 1
1 240 . 15 1 1 X 26 26 LEU N N 19 118.502 118.323 0.179 1
1 241 . 15 1 1 X 27 27 LYS H H 20 8.357 8.133 0.224 1
1 242 . 15 1 1 X 27 27 LYS HA H 20 4.019 3.920 0.099 1
1 251 . 15 1 1 X 27 27 LYS C C 20 179.559 179.298 0.261 1
1 252 . 15 1 1 X 27 27 LYS CA C 20 59.648 59.861 -0.213 1
1 253 . 15 1 1 X 27 27 LYS CB C 20 31.995 32.042 -0.047 1
1 257 . 15 1 1 X 27 27 LYS N N 20 120.427 117.831 2.596 1
1 258 . 15 1 1 X 28 28 GLU H H 21 8.123 7.695 0.428 1
1 259 . 15 1 1 X 28 28 GLU HA H 21 4.082 4.060 0.022 1
1 264 . 15 1 1 X 28 28 GLU C C 21 179.063 179.114 -0.051 1
1 265 . 15 1 1 X 28 28 GLU CA C 21 59.406 59.414 -0.008 1
1 266 . 15 1 1 X 28 28 GLU CB C 21 29.146 28.900 0.246 1
1 268 . 15 1 1 X 28 28 GLU N N 21 122.374 119.511 2.863 1
1 269 . 15 1 1 X 29 29 ILE H H 22 8.049 8.386 -0.337 1
1 270 . 15 1 1 X 29 29 ILE HA H 22 3.343 3.571 -0.228 1
1 280 . 15 1 1 X 29 29 ILE C C 22 177.151 177.886 -0.735 1
1 281 . 15 1 1 X 29 29 ILE CA C 22 66.435 65.416 1.019 1
1 282 . 15 1 1 X 29 29 ILE CB C 22 37.954 37.432 0.522 1
1 286 . 15 1 1 X 29 29 ILE N N 22 120.195 121.249 -1.054 1
1 287 . 15 1 1 X 30 30 GLU H H 23 7.820 7.986 -0.166 1
1 288 . 15 1 1 X 30 30 GLU HA H 23 3.983 3.777 0.206 1
1 293 . 15 1 1 X 30 30 GLU C C 23 178.990 179.196 -0.206 1
1 294 . 15 1 1 X 30 30 GLU CA C 23 59.460 59.777 -0.317 1
1 295 . 15 1 1 X 30 30 GLU CB C 23 30.012 29.427 0.585 1
1 297 . 15 1 1 X 30 30 GLU N N 23 118.917 118.863 0.054 1
1 298 . 15 1 1 X 31 31 LYS H H 24 7.678 7.683 -0.005 1
1 299 . 15 1 1 X 31 31 LYS HA H 24 4.059 3.944 0.115 1
1 308 . 15 1 1 X 31 31 LYS C C 24 179.231 178.894 0.337 1
1 309 . 15 1 1 X 31 31 LYS CA C 24 59.152 59.672 -0.520 1
1 310 . 15 1 1 X 31 31 LYS CB C 24 32.712 32.380 0.332 1
1 314 . 15 1 1 X 31 31 LYS N N 24 118.807 120.737 -1.930 1
1 315 . 15 1 1 X 32 32 GLU H H 25 8.182 7.710 0.472 1
1 316 . 15 1 1 X 32 32 GLU HA H 25 4.309 4.026 0.283 1
1 321 . 15 1 1 X 32 32 GLU C C 25 177.897 179.194 -1.297 1
1 322 . 15 1 1 X 32 32 GLU CA C 25 57.449 59.359 -1.910 1
1 323 . 15 1 1 X 32 32 GLU CB C 25 29.522 28.814 0.708 1
1 325 . 15 1 1 X 32 32 GLU N N 25 118.578 119.703 -1.125 1
1 326 . 15 1 1 X 33 33 ASN H H 26 8.343 8.228 0.115 1
1 327 . 15 1 1 X 33 33 ASN HA H 26 4.608 4.349 0.259 1
1 330 . 15 1 1 X 33 33 ASN C C 26 176.524 177.388 -0.864 1
1 331 . 15 1 1 X 33 33 ASN CA C 26 55.463 56.880 -1.417 1
1 332 . 15 1 1 X 33 33 ASN CB C 26 39.074 39.358 -0.284 1
1 333 . 15 1 1 X 33 33 ASN N N 26 118.483 118.212 0.271 1
1 334 . 15 1 1 X 34 34 VAL H H 27 7.434 8.294 -0.860 1
1 335 . 15 1 1 X 34 34 VAL HA H 27 4.182 3.911 0.271 1
1 343 . 15 1 1 X 34 34 VAL C C 27 176.315 177.709 -1.394 1
1 344 . 15 1 1 X 34 34 VAL CA C 27 62.829 64.018 -1.189 1
1 345 . 15 1 1 X 34 34 VAL CB C 27 32.178 31.370 0.808 1
1 348 . 15 1 1 X 34 34 VAL N N 27 114.036 116.070 -2.034 1
1 349 . 15 1 1 X 35 35 ALA H H 28 7.648 7.677 -0.029 1
1 350 . 15 1 1 X 35 35 ALA HA H 28 4.346 4.280 0.066 1
1 354 . 15 1 1 X 35 35 ALA C C 28 177.126 176.863 0.263 1
1 355 . 15 1 1 X 35 35 ALA CA C 28 52.712 52.454 0.258 1
1 356 . 15 1 1 X 35 35 ALA CB C 28 19.915 19.465 0.450 1
1 357 . 15 1 1 X 35 35 ALA N N 28 124.066 123.651 0.415 1
1 358 . 15 1 1 X 36 36 ALA H H 29 8.337 7.849 0.488 1
1 359 . 15 1 1 X 36 36 ALA HA H 29 4.260 3.987 0.273 1
1 363 . 15 1 1 X 36 36 ALA C C 29 177.999 176.087 1.912 1
1 364 . 15 1 1 X 36 36 ALA CA C 29 53.660 52.992 0.668 1
1 365 . 15 1 1 X 36 36 ALA CB C 29 19.175 17.316 1.859 1
1 366 . 15 1 1 X 36 36 ALA N N 29 121.695 119.831 1.864 1
1 367 . 15 1 1 X 37 37 THR H H 30 8.093 7.433 0.660 1
1 368 . 15 1 1 X 37 37 THR HA H 30 4.533 4.659 -0.126 1
1 373 . 15 1 1 X 37 37 THR C C 30 174.715 173.858 0.857 1
1 374 . 15 1 1 X 37 37 THR CA C 30 60.860 60.731 0.129 1
1 375 . 15 1 1 X 37 37 THR CB C 30 70.424 69.757 0.667 1
1 377 . 15 1 1 X 37 37 THR N N 30 110.112 106.966 3.146 1
1 378 . 15 1 1 X 38 38 ASP H H 31 8.488 8.787 -0.299 1
1 379 . 15 1 1 X 38 38 ASP HA H 31 4.685 4.778 -0.093 1
1 382 . 15 1 1 X 38 38 ASP C C 31 175.896 177.583 -1.687 1
1 383 . 15 1 1 X 38 38 ASP CA C 31 54.704 55.494 -0.790 1
1 384 . 15 1 1 X 38 38 ASP CB C 31 41.389 43.268 -1.879 1
1 385 . 15 1 1 X 38 38 ASP N N 31 121.899 121.330 0.569 1
1 386 . 15 1 1 X 39 39 ASP H H 32 8.368 8.681 -0.313 1
1 387 . 15 1 1 X 39 39 ASP HA H 32 4.459 4.275 0.184 1
1 390 . 15 1 1 X 39 39 ASP C C 32 177.499 178.692 -1.193 1
1 391 . 15 1 1 X 39 39 ASP CA C 32 56.443 57.464 -1.021 1
1 392 . 15 1 1 X 39 39 ASP CB C 32 40.737 40.477 0.260 1
1 393 . 15 1 1 X 39 39 ASP N N 32 118.770 120.494 -1.724 1
1 394 . 15 1 1 X 40 40 VAL H H 33 7.963 7.912 0.051 1
1 395 . 15 1 1 X 40 40 VAL HA H 33 3.800 3.717 0.083 1
1 403 . 15 1 1 X 40 40 VAL C C 33 177.362 177.630 -0.268 1
1 404 . 15 1 1 X 40 40 VAL CA C 33 64.970 66.293 -1.323 1
1 405 . 15 1 1 X 40 40 VAL CB C 33 32.256 30.979 1.277 1
1 408 . 15 1 1 X 40 40 VAL N N 33 119.409 119.262 0.147 1
1 409 . 15 1 1 X 41 41 LEU H H 34 8.508 8.012 0.496 1
1 410 . 15 1 1 X 41 41 LEU HA H 34 3.857 3.904 -0.047 1
1 420 . 15 1 1 X 41 41 LEU C C 34 177.633 178.205 -0.572 1
1 421 . 15 1 1 X 41 41 LEU CA C 34 58.428 58.602 -0.174 1
1 422 . 15 1 1 X 41 41 LEU CB C 34 41.755 41.281 0.474 1
1 426 . 15 1 1 X 41 41 LEU N N 34 122.150 120.948 1.202 1
1 427 . 15 1 1 X 42 42 ASP H H 35 8.236 8.718 -0.482 1
1 428 . 15 1 1 X 42 42 ASP HA H 35 4.370 4.414 -0.044 1
1 431 . 15 1 1 X 42 42 ASP C C 35 179.155 178.577 0.578 1
1 432 . 15 1 1 X 42 42 ASP CA C 35 57.925 57.707 0.218 1
1 433 . 15 1 1 X 42 42 ASP CB C 35 40.417 41.170 -0.753 1
1 434 . 15 1 1 X 42 42 ASP N N 35 116.374 118.976 -2.602 1
1 435 . 15 1 1 X 43 43 VAL H H 36 7.320 7.775 -0.455 1
1 436 . 15 1 1 X 43 43 VAL HA H 36 3.782 3.593 0.189 1
1 444 . 15 1 1 X 43 43 VAL C C 36 179.309 178.376 0.933 1
1 445 . 15 1 1 X 43 43 VAL CA C 36 66.080 66.676 -0.596 1
1 446 . 15 1 1 X 43 43 VAL CB C 36 32.245 31.756 0.489 1
1 449 . 15 1 1 X 43 43 VAL N N 36 119.754 119.762 -0.008 1
1 450 . 15 1 1 X 44 44 LEU H H 37 8.122 8.520 -0.398 1
1 451 . 15 1 1 X 44 44 LEU HA H 37 4.008 4.088 -0.080 1
1 461 . 15 1 1 X 44 44 LEU C C 37 179.518 179.379 0.139 1
1 462 . 15 1 1 X 44 44 LEU CA C 37 58.048 57.865 0.183 1
1 463 . 15 1 1 X 44 44 LEU CB C 37 42.374 41.596 0.778 1
1 467 . 15 1 1 X 44 44 LEU N N 37 120.608 118.955 1.653 1
1 468 . 15 1 1 X 45 45 LEU H H 38 8.898 8.118 0.780 1
1 469 . 15 1 1 X 45 45 LEU HA H 38 4.030 3.921 0.109 1
1 479 . 15 1 1 X 45 45 LEU C C 38 179.166 179.414 -0.248 1
1 480 . 15 1 1 X 45 45 LEU CA C 38 58.184 58.241 -0.057 1
1 481 . 15 1 1 X 45 45 LEU CB C 38 41.506 41.302 0.204 1
1 485 . 15 1 1 X 45 45 LEU N N 38 119.199 119.264 -0.065 1
1 486 . 15 1 1 X 46 46 GLU H H 39 7.964 8.694 -0.730 1
1 487 . 15 1 1 X 46 46 GLU HA H 39 4.066 4.134 -0.068 1
1 492 . 15 1 1 X 46 46 GLU C C 39 178.995 178.859 0.136 1
1 493 . 15 1 1 X 46 46 GLU CA C 39 59.769 59.308 0.461 1
1 494 . 15 1 1 X 46 46 GLU CB C 39 29.577 29.080 0.497 1
1 496 . 15 1 1 X 46 46 GLU N N 39 119.334 118.141 1.193 1
1 497 . 15 1 1 X 47 47 HIS H H 40 8.009 8.709 -0.700 1
1 498 . 15 1 1 X 47 47 HIS HA H 40 4.416 4.384 0.032 1
1 503 . 15 1 1 X 47 47 HIS C C 40 176.115 177.036 -0.921 1
1 504 . 15 1 1 X 47 47 HIS CA C 40 60.151 58.831 1.320 1
1 505 . 15 1 1 X 47 47 HIS CB C 40 30.389 30.670 -0.281 1
1 508 . 15 1 1 X 47 47 HIS N N 40 119.610 120.295 -0.685 1
1 509 . 15 1 1 X 48 48 PHE H H 41 8.711 8.436 0.275 1
1 510 . 15 1 1 X 48 48 PHE HA H 41 3.808 4.165 -0.357 1
1 518 . 15 1 1 X 48 48 PHE C C 41 178.023 177.221 0.802 1
1 519 . 15 1 1 X 48 48 PHE CA C 41 62.654 61.285 1.369 1
1 520 . 15 1 1 X 48 48 PHE CB C 41 39.408 39.403 0.005 1
1 526 . 15 1 1 X 48 48 PHE N N 41 118.110 120.173 -2.063 1
1 527 . 15 1 1 X 49 49 VAL H H 42 8.439 8.185 0.254 1
1 528 . 15 1 1 X 49 49 VAL HA H 42 3.359 3.802 -0.443 1
1 536 . 15 1 1 X 49 49 VAL C C 42 178.340 177.512 0.828 1
1 537 . 15 1 1 X 49 49 VAL CA C 42 67.276 64.451 2.825 1
1 538 . 15 1 1 X 49 49 VAL CB C 42 32.235 31.429 0.806 1
1 541 . 15 1 1 X 49 49 VAL N N 42 121.301 118.718 2.583 1
1 542 . 15 1 1 X 50 50 LYS H H 43 8.091 8.575 -0.484 1
1 543 . 15 1 1 X 50 50 LYS HA H 43 3.973 3.999 -0.026 1
1 552 . 15 1 1 X 50 50 LYS C C 43 178.985 178.144 0.841 1
1 553 . 15 1 1 X 50 50 LYS CA C 43 59.580 58.899 0.681 1
1 554 . 15 1 1 X 50 50 LYS CB C 43 32.784 31.756 1.028 1
1 558 . 15 1 1 X 50 50 LYS N N 43 120.887 119.828 1.059 1
1 559 . 15 1 1 X 51 51 ILE H H 44 8.347 7.314 1.033 1
1 560 . 15 1 1 X 51 51 ILE HA H 44 4.159 3.785 0.374 1
1 570 . 15 1 1 X 51 51 ILE C C 44 178.121 177.828 0.293 1
1 571 . 15 1 1 X 51 51 ILE CA C 44 62.328 63.855 -1.527 1
1 572 . 15 1 1 X 51 51 ILE CB C 44 37.576 37.473 0.103 1
1 576 . 15 1 1 X 51 51 ILE N N 44 111.354 116.884 -5.530 1
1 577 . 15 1 1 X 52 52 THR H H 45 7.588 7.683 -0.095 1
1 578 . 15 1 1 X 52 52 THR HA H 45 3.683 3.904 -0.221 1
1 583 . 15 1 1 X 52 52 THR C C 45 176.285 175.234 1.051 1
1 584 . 15 1 1 X 52 52 THR CA C 45 65.803 63.321 2.482 1
1 585 . 15 1 1 X 52 52 THR CB C 45 69.689 69.673 0.016 1
1 587 . 15 1 1 X 52 52 THR N N 45 109.646 112.542 -2.896 1
1 588 . 15 1 1 X 53 53 GLU H H 46 7.366 7.755 -0.389 1
1 589 . 15 1 1 X 53 53 GLU HA H 46 3.836 4.167 -0.331 1
1 594 . 15 1 1 X 53 53 GLU C C 46 173.418 174.664 -1.246 1
1 595 . 15 1 1 X 53 53 GLU CA C 46 57.709 57.428 0.281 1
1 596 . 15 1 1 X 53 53 GLU CB C 46 29.067 27.131 1.936 1
1 598 . 15 1 1 X 53 53 GLU N N 46 112.606 114.067 -1.461 1
1 599 . 15 1 1 X 54 54 HIS H H 47 7.127 7.149 -0.022 1
1 600 . 15 1 1 X 54 54 HIS HA H 47 3.070 3.444 -0.374 1
1 605 . 15 1 1 X 54 54 HIS CA C 47 55.826 54.869 0.957 1
1 606 . 15 1 1 X 54 54 HIS CB C 47 32.124 30.907 1.217 1
1 609 . 15 1 1 X 54 54 HIS N N 47 119.651 119.515 0.136 1
1 610 . 15 1 1 X 55 55 PRO HA H 48 4.143 4.379 -0.236 1
1 617 . 15 1 1 X 55 55 PRO CA C 48 64.843 64.414 0.429 1
1 618 . 15 1 1 X 55 55 PRO CB C 48 32.350 31.653 0.697 1
1 621 . 15 1 1 X 56 56 ASP H H 49 10.605 7.626 2.979 1
1 622 . 15 1 1 X 56 56 ASP HA H 49 4.712 5.064 -0.352 1
1 625 . 15 1 1 X 56 56 ASP C C 49 178.187 177.438 0.749 1
1 626 . 15 1 1 X 56 56 ASP CA C 49 54.989 53.748 1.241 1
1 627 . 15 1 1 X 56 56 ASP CB C 49 40.657 41.939 -1.282 1
1 628 . 15 1 1 X 56 56 ASP N N 49 121.022 117.870 3.152 1
1 629 . 15 1 1 X 57 57 GLY H H 50 8.011 8.066 -0.055 1
1 630 . 15 1 1 X 57 57 GLY HA2 H 50 4.122 3.986 0.136 1
1 631 . 15 1 1 X 57 57 GLY HA3 H 50 3.701 4.081 -0.380 1
1 632 . 15 1 1 X 57 57 GLY C C 50 175.337 176.115 -0.778 1
1 633 . 15 1 1 X 57 57 GLY CA C 50 47.435 47.647 -0.212 1
1 634 . 15 1 1 X 57 57 GLY N N 50 108.190 109.308 -1.118 1
1 635 . 15 1 1 X 58 58 THR H H 51 9.047 8.248 0.799 1
1 636 . 15 1 1 X 58 58 THR HA H 51 3.730 4.156 -0.426 1
1 641 . 15 1 1 X 58 58 THR C C 51 176.082 176.258 -0.176 1
1 642 . 15 1 1 X 58 58 THR CA C 51 64.795 65.295 -0.500 1
1 643 . 15 1 1 X 58 58 THR CB C 51 68.398 68.925 -0.527 1
1 645 . 15 1 1 X 58 58 THR N N 51 114.996 117.180 -2.184 1
1 646 . 15 1 1 X 59 59 ALA H H 52 8.142 8.186 -0.044 1
1 647 . 15 1 1 X 59 59 ALA HA H 52 4.205 4.226 -0.021 1
1 651 . 15 1 1 X 59 59 ALA C C 52 179.373 180.062 -0.689 1
1 652 . 15 1 1 X 59 59 ALA CA C 52 55.625 55.167 0.458 1
1 653 . 15 1 1 X 59 59 ALA CB C 52 18.416 18.278 0.138 1
1 654 . 15 1 1 X 59 59 ALA N N 52 125.565 123.541 2.024 1
1 655 . 15 1 1 X 60 60 LEU H H 53 7.399 8.201 -0.802 1
1 656 . 15 1 1 X 60 60 LEU HA H 53 3.835 3.924 -0.089 1
1 666 . 15 1 1 X 60 60 LEU C C 53 178.601 179.058 -0.457 1
1 667 . 15 1 1 X 60 60 LEU CA C 53 58.031 58.187 -0.156 1
1 668 . 15 1 1 X 60 60 LEU CB C 53 43.487 41.829 1.658 1
1 672 . 15 1 1 X 60 60 LEU N N 53 114.763 118.399 -3.636 1
1 673 . 15 1 1 X 61 61 ILE H H 54 6.855 7.669 -0.814 1
1 674 . 15 1 1 X 61 61 ILE HA H 54 3.518 3.400 0.118 1
1 684 . 15 1 1 X 61 61 ILE C C 54 178.595 177.565 1.030 1
1 685 . 15 1 1 X 61 61 ILE CA C 54 62.989 64.925 -1.936 1
1 686 . 15 1 1 X 61 61 ILE CB C 54 38.424 37.347 1.077 1
1 690 . 15 1 1 X 61 61 ILE N N 54 114.394 119.693 -5.299 1
1 691 . 15 1 1 X 62 62 TYR H H 55 7.489 7.773 -0.284 1
1 692 . 15 1 1 X 62 62 TYR HA H 55 4.243 4.250 -0.007 1
1 699 . 15 1 1 X 62 62 TYR C C 55 178.634 178.854 -0.220 1
1 700 . 15 1 1 X 62 62 TYR CA C 55 61.518 60.588 0.930 1
1 701 . 15 1 1 X 62 62 TYR CB C 55 37.566 37.738 -0.172 1
1 706 . 15 1 1 X 62 62 TYR N N 55 117.898 119.631 -1.733 1
1 707 . 15 1 1 X 63 63 GLU H H 56 8.659 9.045 -0.386 1
1 708 . 15 1 1 X 63 63 GLU HA H 56 4.441 4.123 0.318 1
1 713 . 15 1 1 X 63 63 GLU C C 56 177.785 178.935 -1.150 1
1 714 . 15 1 1 X 63 63 GLU CA C 56 57.658 59.356 -1.698 1
1 715 . 15 1 1 X 63 63 GLU CB C 56 29.034 29.128 -0.094 1
1 717 . 15 1 1 X 63 63 GLU N N 56 119.392 117.700 1.692 1
1 718 . 15 1 1 X 64 64 ALA H H 57 7.164 8.312 -1.148 1
1 719 . 15 1 1 X 64 64 ALA HA H 57 4.021 4.149 -0.128 1
1 723 . 15 1 1 X 64 64 ALA C C 57 180.327 179.845 0.482 1
1 724 . 15 1 1 X 64 64 ALA CA C 57 55.759 54.893 0.866 1
1 725 . 15 1 1 X 64 64 ALA CB C 57 18.615 18.170 0.445 1
1 726 . 15 1 1 X 64 64 ALA N N 57 121.778 122.448 -0.670 1
1 727 . 15 1 1 X 65 65 ALA H H 58 8.076 8.256 -0.180 1
1 728 . 15 1 1 X 65 65 ALA HA H 58 4.137 3.974 0.163 1
1 732 . 15 1 1 X 65 65 ALA C C 58 180.248 179.562 0.686 1
1 733 . 15 1 1 X 65 65 ALA CA C 58 55.104 55.009 0.095 1
1 734 . 15 1 1 X 65 65 ALA CB C 58 18.071 18.159 -0.088 1
1 735 . 15 1 1 X 65 65 ALA N N 58 120.307 119.934 0.373 1
1 736 . 15 1 1 X 66 66 ALA H H 59 7.893 7.669 0.224 1
1 737 . 15 1 1 X 66 66 ALA HA H 59 4.170 4.089 0.081 1
1 741 . 15 1 1 X 66 66 ALA C C 59 180.838 179.592 1.246 1
1 742 . 15 1 1 X 66 66 ALA CA C 59 54.800 55.125 -0.325 1
1 743 . 15 1 1 X 66 66 ALA CB C 59 18.184 17.975 0.209 1
1 744 . 15 1 1 X 66 66 ALA N N 59 122.126 119.699 2.427 1
1 745 . 15 1 1 X 67 67 ARG H H 60 8.139 8.718 -0.579 1
1 746 . 15 1 1 X 67 67 ARG HA H 60 4.065 4.036 0.029 1
1 753 . 15 1 1 X 67 67 ARG C C 60 178.779 178.399 0.380 1
1 754 . 15 1 1 X 67 67 ARG CA C 60 59.282 59.631 -0.349 1
1 755 . 15 1 1 X 67 67 ARG CB C 60 30.863 29.859 1.004 1
1 758 . 15 1 1 X 67 67 ARG N N 60 118.948 117.647 1.301 1
1 759 . 15 1 1 X 68 68 ALA H H 61 7.891 8.212 -0.321 1
1 760 . 15 1 1 X 68 68 ALA HA H 61 4.141 4.168 -0.027 1
1 764 . 15 1 1 X 68 68 ALA C C 61 179.329 179.477 -0.148 1
1 765 . 15 1 1 X 68 68 ALA CA C 61 54.340 54.922 -0.582 1
1 766 . 15 1 1 X 68 68 ALA CB C 61 18.528 18.571 -0.043 1
1 767 . 15 1 1 X 68 68 ALA N N 61 121.473 122.339 -0.866 1
1 768 . 15 1 1 X 69 69 ALA H H 62 7.663 8.416 -0.753 1
1 769 . 15 1 1 X 69 69 ALA HA H 62 4.133 4.077 0.056 1
1 773 . 15 1 1 X 69 69 ALA C C 62 178.591 178.024 0.567 1
1 774 . 15 1 1 X 69 69 ALA CA C 62 53.863 55.166 -1.303 1
1 775 . 15 1 1 X 69 69 ALA CB C 62 18.438 19.014 -0.576 1
1 776 . 15 1 1 X 69 69 ALA N N 62 118.937 119.219 -0.282 1
1 777 . 15 1 1 X 70 70 ALA H H 63 7.488 7.979 -0.491 1
1 778 . 15 1 1 X 70 70 ALA HA H 63 4.280 4.607 -0.327 1
1 782 . 15 1 1 X 70 70 ALA C C 63 177.318 175.848 1.470 1
1 783 . 15 1 1 X 70 70 ALA CA C 63 52.981 50.544 2.437 1
1 784 . 15 1 1 X 70 70 ALA CB C 63 19.324 19.101 0.223 1
1 785 . 15 1 1 X 70 70 ALA N N 63 118.642 118.906 -0.264 1
1 786 . 15 1 1 X 71 71 ASN H H 64 7.631 8.479 -0.848 1
1 787 . 15 1 1 X 71 71 ASN HA H 64 5.077 5.319 -0.242 1
1 792 . 15 1 1 X 71 71 ASN CA C 64 50.877 50.477 0.400 1
1 793 . 15 1 1 X 71 71 ASN CB C 64 39.243 39.785 -0.542 1
1 795 . 15 1 1 X 71 71 ASN N N 64 116.008 121.768 -5.760 1
1 797 . 15 1 1 X 72 72 PRO HA H 65 4.468 4.454 0.014 1
1 804 . 15 1 1 X 72 72 PRO CA C 65 64.454 63.630 0.824 1
1 805 . 15 1 1 X 72 72 PRO CB C 65 32.007 31.741 0.266 1
1 808 . 15 1 1 X 73 73 GLY H H 66 8.608 8.846 -0.238 1
1 809 . 15 1 1 X 73 73 GLY HA2 H 66 3.978 3.928 0.050 1
1 810 . 15 1 1 X 73 73 GLY HA3 H 66 3.978 3.929 0.049 1
1 811 . 15 1 1 X 73 73 GLY C C 66 175.054 174.171 0.883 1
1 812 . 15 1 1 X 73 73 GLY CA C 66 45.521 46.681 -1.160 1
1 813 . 15 1 1 X 73 73 GLY N N 66 109.435 110.593 -1.158 1
1 814 . 15 1 1 X 74 74 GLY H H 67 8.085 7.726 0.359 1
1 815 . 15 1 1 X 74 74 GLY HA2 H 67 4.132 4.047 0.085 1
1 816 . 15 1 1 X 74 74 GLY HA3 H 67 3.896 4.048 -0.152 1
1 817 . 15 1 1 X 74 74 GLY C C 67 174.008 172.176 1.832 1
1 818 . 15 1 1 X 74 74 GLY CA C 67 45.450 45.326 0.124 1
1 819 . 15 1 1 X 74 74 GLY N N 67 108.472 105.818 2.654 1
1 820 . 15 1 1 X 75 75 ASP H H 68 8.307 8.602 -0.295 1
1 821 . 15 1 1 X 75 75 ASP HA H 68 4.646 4.867 -0.221 1
1 824 . 15 1 1 X 75 75 ASP C C 68 176.933 176.663 0.270 1
1 825 . 15 1 1 X 75 75 ASP CA C 68 54.226 53.203 1.023 1
1 826 . 15 1 1 X 75 75 ASP CB C 68 41.486 42.044 -0.558 1
1 827 . 15 1 1 X 75 75 ASP N N 68 119.941 118.059 1.882 1
1 828 . 15 1 1 X 76 76 GLY H H 69 8.502 8.829 -0.327 1
1 829 . 15 1 1 X 76 76 GLY HA2 H 69 3.966 4.007 -0.041 1
1 830 . 15 1 1 X 76 76 GLY HA3 H 69 3.951 4.010 -0.059 1
1 831 . 15 1 1 X 76 76 GLY C C 69 174.771 174.184 0.587 1
1 832 . 15 1 1 X 76 76 GLY CA C 69 45.744 45.200 0.544 1
1 833 . 15 1 1 X 76 76 GLY N N 69 109.061 110.499 -1.438 1
1 834 . 15 1 1 X 77 77 GLY H H 70 8.367 8.016 0.351 1
1 835 . 15 1 1 X 77 77 GLY HA2 H 70 4.092 4.007 0.085 1
1 836 . 15 1 1 X 77 77 GLY HA3 H 70 3.920 4.010 -0.090 1
1 837 . 15 1 1 X 77 77 GLY C C 70 174.782 174.520 0.262 1
1 838 . 15 1 1 X 77 77 GLY CA C 70 45.327 44.881 0.446 1
1 839 . 15 1 1 X 77 77 GLY N N 70 108.393 107.834 0.559 1
1 840 . 15 1 1 X 78 78 GLY H H 71 8.263 7.943 0.320 1
1 841 . 15 1 1 X 78 78 GLY HA2 H 71 4.205 4.079 0.126 1
1 842 . 15 1 1 X 78 78 GLY HA3 H 71 4.092 4.091 0.001 1
1 843 . 15 1 1 X 78 78 GLY CA C 71 45.581 44.532 1.049 1
1 844 . 15 1 1 X 78 78 GLY N N 71 108.388 113.176 -4.788 1
1 845 . 15 1 1 X 79 79 PRO HA H 72 4.199 4.253 -0.054 1
1 852 . 15 1 1 X 79 79 PRO C C 72 178.000 177.799 0.201 1
1 853 . 15 1 1 X 79 79 PRO CA C 72 65.568 65.073 0.495 1
1 854 . 15 1 1 X 79 79 PRO CB C 72 32.864 32.069 0.795 1
1 857 . 15 1 1 X 80 80 GLU H H 73 9.283 8.463 0.820 1
1 858 . 15 1 1 X 80 80 GLU HA H 73 3.833 4.159 -0.326 1
1 863 . 15 1 1 X 80 80 GLU C C 73 179.587 177.667 1.920 1
1 864 . 15 1 1 X 80 80 GLU CA C 73 61.125 57.874 3.251 1
1 865 . 15 1 1 X 80 80 GLU CB C 73 28.576 29.193 -0.617 1
1 867 . 15 1 1 X 80 80 GLU N N 73 117.078 116.547 0.531 1
1 868 . 15 1 1 X 81 81 GLY H H 74 7.926 7.845 0.081 1
1 869 . 15 1 1 X 81 81 GLY HA2 H 74 3.964 3.993 -0.029 1
1 870 . 15 1 1 X 81 81 GLY HA3 H 74 3.914 3.998 -0.084 1
1 871 . 15 1 1 X 81 81 GLY C C 74 176.538 175.374 1.164 1
1 872 . 15 1 1 X 81 81 GLY CA C 74 47.084 45.523 1.561 1
1 873 . 15 1 1 X 81 81 GLY N N 74 108.577 108.332 0.245 1
1 874 . 15 1 1 X 82 82 ILE H H 75 7.593 7.727 -0.134 1
1 875 . 15 1 1 X 82 82 ILE HA H 75 3.873 3.826 0.047 1
1 885 . 15 1 1 X 82 82 ILE C C 75 178.147 178.097 0.050 1
1 886 . 15 1 1 X 82 82 ILE CA C 75 65.342 64.980 0.362 1
1 887 . 15 1 1 X 82 82 ILE CB C 75 38.163 37.697 0.466 1
1 891 . 15 1 1 X 82 82 ILE N N 75 123.572 122.575 0.997 1
1 892 . 15 1 1 X 83 83 VAL H H 76 8.135 7.776 0.359 1
1 893 . 15 1 1 X 83 83 VAL HA H 76 3.575 4.140 -0.565 1
1 901 . 15 1 1 X 83 83 VAL C C 76 177.094 178.208 -1.114 1
1 902 . 15 1 1 X 83 83 VAL CA C 76 68.153 65.567 2.586 1
1 903 . 15 1 1 X 83 83 VAL CB C 76 31.653 31.321 0.332 1
1 906 . 15 1 1 X 83 83 VAL N N 76 118.553 120.963 -2.410 1
1 907 . 15 1 1 X 84 84 LYS H H 77 7.803 8.108 -0.305 1
1 908 . 15 1 1 X 84 84 LYS HA H 77 4.006 3.959 0.047 1
1 917 . 15 1 1 X 84 84 LYS C C 77 178.064 178.988 -0.924 1
1 918 . 15 1 1 X 84 84 LYS CA C 77 60.516 59.509 1.007 1
1 919 . 15 1 1 X 84 84 LYS CB C 77 32.849 32.361 0.488 1
1 923 . 15 1 1 X 84 84 LYS N N 77 119.572 121.074 -1.502 1
1 924 . 15 1 1 X 85 85 GLU H H 78 7.629 8.073 -0.444 1
1 925 . 15 1 1 X 85 85 GLU HA H 78 4.246 4.093 0.153 1
1 930 . 15 1 1 X 85 85 GLU C C 78 179.834 179.329 0.505 1
1 931 . 15 1 1 X 85 85 GLU CA C 78 59.752 59.133 0.619 1
1 932 . 15 1 1 X 85 85 GLU CB C 78 29.189 29.374 -0.185 1
1 934 . 15 1 1 X 85 85 GLU N N 78 118.366 118.435 -0.069 1
1 935 . 15 1 1 X 86 86 ILE H H 79 8.432 7.909 0.523 1
1 936 . 15 1 1 X 86 86 ILE HA H 79 3.781 3.793 -0.012 1
1 946 . 15 1 1 X 86 86 ILE C C 79 177.578 178.329 -0.751 1
1 947 . 15 1 1 X 86 86 ILE CA C 79 65.454 64.997 0.457 1
1 948 . 15 1 1 X 86 86 ILE CB C 79 37.940 38.092 -0.152 1
1 952 . 15 1 1 X 86 86 ILE N N 79 118.975 120.641 -1.666 1
1 953 . 15 1 1 X 87 87 LYS H H 80 9.096 8.689 0.407 1
1 954 . 15 1 1 X 87 87 LYS HA H 80 3.958 4.308 -0.350 1
1 963 . 15 1 1 X 87 87 LYS C C 80 180.285 178.545 1.740 1
1 964 . 15 1 1 X 87 87 LYS CA C 80 60.290 59.253 1.037 1
1 965 . 15 1 1 X 87 87 LYS CB C 80 33.299 32.028 1.271 1
1 969 . 15 1 1 X 87 87 LYS N N 80 119.805 120.602 -0.797 1
1 970 . 15 1 1 X 88 88 GLU H H 81 8.508 7.972 0.536 1
1 971 . 15 1 1 X 88 88 GLU HA H 81 4.099 4.142 -0.043 1
1 976 . 15 1 1 X 88 88 GLU C C 81 179.195 178.961 0.234 1
1 977 . 15 1 1 X 88 88 GLU CA C 81 59.632 59.083 0.549 1
1 978 . 15 1 1 X 88 88 GLU CB C 81 29.649 29.443 0.206 1
1 980 . 15 1 1 X 88 88 GLU N N 81 118.920 119.193 -0.273 1
1 981 . 15 1 1 X 89 89 TRP H H 82 8.682 8.103 0.579 1
1 982 . 15 1 1 X 89 89 TRP HA H 82 4.201 4.333 -0.132 1
1 991 . 15 1 1 X 89 89 TRP C C 82 179.807 178.188 1.619 1
1 992 . 15 1 1 X 89 89 TRP CA C 82 63.110 60.797 2.313 1
1 993 . 15 1 1 X 89 89 TRP CB C 82 29.285 29.931 -0.646 1
1 999 . 15 1 1 X 89 89 TRP N N 82 122.152 122.565 -0.413 1
1 1001 . 15 1 1 X 90 90 ARG H H 83 9.025 8.863 0.162 1
1 1002 . 15 1 1 X 90 90 ARG HA H 83 3.295 4.054 -0.759 1
1 1009 . 15 1 1 X 90 90 ARG C C 83 178.120 178.145 -0.025 1
1 1010 . 15 1 1 X 90 90 ARG CA C 83 60.895 59.654 1.241 1
1 1011 . 15 1 1 X 90 90 ARG CB C 83 28.668 29.824 -1.156 1
1 1014 . 15 1 1 X 90 90 ARG N N 83 118.380 120.019 -1.639 1
1 1015 . 15 1 1 X 91 91 ALA H H 84 7.759 8.024 -0.265 1
1 1016 . 15 1 1 X 91 91 ALA HA H 84 4.151 4.132 0.019 1
1 1020 . 15 1 1 X 91 91 ALA C C 84 181.466 179.947 1.519 1
1 1021 . 15 1 1 X 91 91 ALA CA C 84 55.217 55.017 0.200 1
1 1022 . 15 1 1 X 91 91 ALA CB C 84 18.175 17.911 0.264 1
1 1023 . 15 1 1 X 91 91 ALA N N 84 120.210 120.844 -0.634 1
1 1024 . 15 1 1 X 92 92 ALA H H 85 7.943 7.956 -0.013 1
1 1025 . 15 1 1 X 92 92 ALA HA H 85 4.081 4.000 0.081 1
1 1029 . 15 1 1 X 92 92 ALA C C 85 178.324 179.551 -1.227 1
1 1030 . 15 1 1 X 92 92 ALA CA C 85 54.244 55.156 -0.912 1
1 1031 . 15 1 1 X 92 92 ALA CB C 85 18.306 17.900 0.406 1
1 1032 . 15 1 1 X 92 92 ALA N N 85 120.470 120.464 0.006 1
1 1033 . 15 1 1 X 93 93 ASN H H 86 7.005 7.674 -0.669 1
1 1034 . 15 1 1 X 93 93 ASN HA H 86 4.475 4.444 0.031 1
1 1039 . 15 1 1 X 93 93 ASN C C 86 174.108 175.488 -1.380 1
1 1040 . 15 1 1 X 93 93 ASN CA C 86 53.347 53.796 -0.449 1
1 1041 . 15 1 1 X 93 93 ASN CB C 86 39.379 38.630 0.749 1
1 1043 . 15 1 1 X 93 93 ASN N N 86 113.372 114.495 -1.123 1
1 1045 . 15 1 1 X 94 94 GLY H H 87 7.535 8.159 -0.624 1
1 1046 . 15 1 1 X 94 94 GLY HA2 H 87 3.810 3.897 -0.087 1
1 1047 . 15 1 1 X 94 94 GLY HA3 H 87 3.810 3.907 -0.097 1
1 1048 . 15 1 1 X 94 94 GLY C C 87 174.481 174.064 0.417 1
1 1049 . 15 1 1 X 94 94 GLY CA C 87 47.230 46.363 0.867 1
1 1050 . 15 1 1 X 94 94 GLY N N 87 108.152 107.250 0.902 1
1 1051 . 15 1 1 X 95 95 LYS H H 88 8.037 7.841 0.196 1
1 1052 . 15 1 1 X 95 95 LYS HA H 88 4.654 4.740 -0.086 1
1 1061 . 15 1 1 X 95 95 LYS CA C 88 53.357 53.097 0.260 1
1 1062 . 15 1 1 X 95 95 LYS CB C 88 32.741 35.287 -2.546 1
1 1066 . 15 1 1 X 95 95 LYS N N 88 119.147 120.346 -1.199 1
1 1067 . 15 1 1 X 96 96 PRO HA H 89 4.275 4.348 -0.073 1
1 1074 . 15 1 1 X 96 96 PRO C C 89 176.696 176.459 0.237 1
1 1075 . 15 1 1 X 96 96 PRO CA C 89 63.482 63.293 0.189 1
1 1076 . 15 1 1 X 96 96 PRO CB C 89 32.981 31.777 1.204 1
1 1079 . 15 1 1 X 97 97 GLY H H 90 8.336 8.570 -0.234 1
1 1080 . 15 1 1 X 97 97 GLY HA2 H 90 4.074 3.931 0.143 1
1 1081 . 15 1 1 X 97 97 GLY HA3 H 90 3.615 4.093 -0.478 1
1 1082 . 15 1 1 X 97 97 GLY C C 90 173.388 173.651 -0.263 1
1 1083 . 15 1 1 X 97 97 GLY CA C 90 43.347 44.536 -1.189 1
1 1084 . 15 1 1 X 97 97 GLY N N 90 110.343 107.801 2.542 1
1 1085 . 15 1 1 X 98 98 PHE H H 91 7.749 8.483 -0.734 1
1 1086 . 15 1 1 X 98 98 PHE HA H 91 4.527 4.777 -0.250 1
1 1094 . 15 1 1 X 98 98 PHE C C 91 177.021 175.575 1.446 1
1 1095 . 15 1 1 X 98 98 PHE CA C 91 59.184 58.120 1.064 1
1 1096 . 15 1 1 X 98 98 PHE CB C 91 40.005 40.160 -0.155 1
1 1102 . 15 1 1 X 98 98 PHE N N 91 116.151 120.616 -4.465 1
1 1103 . 15 1 1 X 99 99 LYS H H 92 8.531 8.762 -0.231 1
1 1104 . 15 1 1 X 99 99 LYS HA H 92 4.178 4.531 -0.353 1
1 1113 . 15 1 1 X 99 99 LYS C C 92 176.542 176.235 0.307 1
1 1114 . 15 1 1 X 99 99 LYS CA C 92 57.292 55.339 1.953 1
1 1115 . 15 1 1 X 99 99 LYS CB C 92 32.875 33.338 -0.463 1
1 1119 . 15 1 1 X 99 99 LYS N N 92 123.602 120.064 3.538 1
1 1120 . 15 1 1 X 100 100 GLN H H 93 8.633 8.547 0.086 1
1 1121 . 15 1 1 X 100 100 GLN HA H 93 4.297 5.127 -0.830 1
1 1128 . 15 1 1 X 100 100 GLN C C 93 175.318 175.474 -0.156 1
1 1129 . 15 1 1 X 100 100 GLN CA C 93 56.479 54.276 2.203 1
1 1130 . 15 1 1 X 100 100 GLN CB C 93 29.751 31.319 -1.568 1
1 1133 . 15 1 1 X 100 100 GLN N N 93 125.089 120.103 4.986 1
1 12 . 16 1 1 X 10 10 LEU H H 3 8.121 8.513 -0.392 1
1 13 . 16 1 1 X 10 10 LEU HA H 3 4.240 5.159 -0.919 1
1 23 . 16 1 1 X 10 10 LEU C C 3 176.909 176.348 0.561 1
1 24 . 16 1 1 X 10 10 LEU CA C 3 54.748 53.660 1.088 1
1 25 . 16 1 1 X 10 10 LEU CB C 3 41.272 43.208 -1.936 1
1 29 . 16 1 1 X 10 10 LEU N N 3 123.688 126.250 -2.562 1
1 30 . 16 1 1 X 11 11 LYS H H 4 7.677 8.905 -1.228 1
1 31 . 16 1 1 X 11 11 LYS HA H 4 4.404 4.551 -0.147 1
1 40 . 16 1 1 X 11 11 LYS C C 4 176.184 177.405 -1.221 1
1 41 . 16 1 1 X 11 11 LYS CA C 4 55.828 54.598 1.230 1
1 42 . 16 1 1 X 11 11 LYS CB C 4 33.482 34.258 -0.776 1
1 46 . 16 1 1 X 11 11 LYS N N 4 122.221 122.845 -0.624 1
1 47 . 16 1 1 X 12 12 ASN H H 5 8.538 8.917 -0.379 1
1 48 . 16 1 1 X 12 12 ASN HA H 5 4.685 4.861 -0.176 1
1 53 . 16 1 1 X 12 12 ASN C C 5 174.925 175.560 -0.635 1
1 54 . 16 1 1 X 12 12 ASN CA C 5 55.721 54.960 0.761 1
1 55 . 16 1 1 X 12 12 ASN CB C 5 40.409 40.680 -0.271 1
1 57 . 16 1 1 X 12 12 ASN N N 5 116.610 118.608 -1.998 1
1 59 . 16 1 1 X 13 13 SER H H 6 8.144 7.862 0.282 1
1 60 . 16 1 1 X 13 13 SER HA H 6 4.819 4.880 -0.061 1
1 63 . 16 1 1 X 13 13 SER C C 6 175.123 175.211 -0.088 1
1 64 . 16 1 1 X 13 13 SER CA C 6 56.778 55.800 0.978 1
1 65 . 16 1 1 X 13 13 SER CB C 6 65.949 67.078 -1.129 1
1 66 . 16 1 1 X 13 13 SER N N 6 112.138 110.980 1.158 1
1 67 . 16 1 1 X 14 14 ILE H H 7 9.318 8.910 0.408 1
1 68 . 16 1 1 X 14 14 ILE HA H 7 3.966 4.413 -0.447 1
1 78 . 16 1 1 X 14 14 ILE C C 7 175.537 178.169 -2.632 1
1 79 . 16 1 1 X 14 14 ILE CA C 7 64.956 64.005 0.951 1
1 80 . 16 1 1 X 14 14 ILE CB C 7 37.062 38.137 -1.075 1
1 84 . 16 1 1 X 14 14 ILE N N 7 126.034 124.711 1.323 1
1 85 . 16 1 1 X 15 15 SER H H 8 7.504 8.251 -0.747 1
1 86 . 16 1 1 X 15 15 SER HA H 8 4.694 4.376 0.318 1
1 89 . 16 1 1 X 15 15 SER C C 8 174.278 174.978 -0.700 1
1 90 . 16 1 1 X 15 15 SER CA C 8 59.481 61.526 -2.045 1
1 91 . 16 1 1 X 15 15 SER CB C 8 63.241 63.260 -0.019 1
1 92 . 16 1 1 X 15 15 SER N N 8 112.517 117.845 -5.328 1
1 93 . 16 1 1 X 16 16 ASP H H 9 7.783 7.639 0.144 1
1 94 . 16 1 1 X 16 16 ASP HA H 9 4.791 4.686 0.105 1
1 97 . 16 1 1 X 16 16 ASP C C 9 175.976 176.356 -0.380 1
1 98 . 16 1 1 X 16 16 ASP CA C 9 55.243 55.216 0.027 1
1 99 . 16 1 1 X 16 16 ASP CB C 9 43.327 41.499 1.828 1
1 100 . 16 1 1 X 16 16 ASP N N 9 117.795 120.013 -2.218 1
1 101 . 16 1 1 X 17 17 TYR H H 10 8.279 7.903 0.376 1
1 102 . 16 1 1 X 17 17 TYR HA H 10 4.962 4.721 0.241 1
1 109 . 16 1 1 X 17 17 TYR C C 10 177.535 175.876 1.659 1
1 110 . 16 1 1 X 17 17 TYR CA C 10 58.573 58.544 0.029 1
1 111 . 16 1 1 X 17 17 TYR CB C 10 41.015 38.956 2.059 1
1 116 . 16 1 1 X 17 17 TYR N N 10 120.484 117.867 2.617 1
1 117 . 16 1 1 X 18 18 THR H H 11 8.796 8.775 0.021 1
1 118 . 16 1 1 X 18 18 THR HA H 11 5.040 4.761 0.279 1
1 123 . 16 1 1 X 18 18 THR C C 11 176.099 176.067 0.032 1
1 124 . 16 1 1 X 18 18 THR CA C 11 60.775 60.757 0.018 1
1 125 . 16 1 1 X 18 18 THR CB C 11 71.041 71.181 -0.140 1
1 127 . 16 1 1 X 18 18 THR N N 11 112.143 117.419 -5.276 1
1 128 . 16 1 1 X 19 19 GLU H H 12 9.173 8.852 0.321 1
1 129 . 16 1 1 X 19 19 GLU HA H 12 2.757 3.484 -0.727 1
1 134 . 16 1 1 X 19 19 GLU C C 12 178.378 178.601 -0.223 1
1 135 . 16 1 1 X 19 19 GLU CA C 12 60.906 59.217 1.689 1
1 136 . 16 1 1 X 19 19 GLU CB C 12 29.442 29.062 0.380 1
1 138 . 16 1 1 X 19 19 GLU N N 12 122.386 120.812 1.574 1
1 139 . 16 1 1 X 20 20 ALA H H 13 8.356 8.257 0.099 1
1 140 . 16 1 1 X 20 20 ALA HA H 13 4.069 4.234 -0.165 1
1 144 . 16 1 1 X 20 20 ALA C C 13 181.816 179.539 2.277 1
1 145 . 16 1 1 X 20 20 ALA CA C 13 55.388 54.800 0.588 1
1 146 . 16 1 1 X 20 20 ALA CB C 13 18.308 18.562 -0.254 1
1 147 . 16 1 1 X 20 20 ALA N N 13 118.695 122.119 -3.424 1
1 148 . 16 1 1 X 21 21 GLU H H 14 8.013 8.174 -0.161 1
1 149 . 16 1 1 X 21 21 GLU HA H 14 4.131 4.120 0.011 1
1 154 . 16 1 1 X 21 21 GLU C C 14 179.649 179.174 0.475 1
1 155 . 16 1 1 X 21 21 GLU CA C 14 58.916 58.982 -0.066 1
1 156 . 16 1 1 X 21 21 GLU CB C 14 31.632 29.566 2.066 1
1 158 . 16 1 1 X 21 21 GLU N N 14 118.978 119.409 -0.431 1
1 159 . 16 1 1 X 22 22 PHE H H 15 8.635 8.270 0.365 1
1 160 . 16 1 1 X 22 22 PHE HA H 15 4.049 3.945 0.104 1
1 167 . 16 1 1 X 22 22 PHE C C 15 177.402 177.458 -0.056 1
1 168 . 16 1 1 X 22 22 PHE CA C 15 62.183 61.078 1.105 1
1 169 . 16 1 1 X 22 22 PHE CB C 15 40.545 38.687 1.858 1
1 174 . 16 1 1 X 22 22 PHE N N 15 124.639 122.122 2.517 1
1 175 . 16 1 1 X 23 23 VAL H H 16 8.647 8.381 0.266 1
1 176 . 16 1 1 X 23 23 VAL HA H 16 3.416 3.762 -0.346 1
1 184 . 16 1 1 X 23 23 VAL C C 16 177.798 177.772 0.026 1
1 185 . 16 1 1 X 23 23 VAL CA C 16 67.917 66.177 1.740 1
1 186 . 16 1 1 X 23 23 VAL CB C 16 31.579 31.391 0.188 1
1 189 . 16 1 1 X 23 23 VAL N N 16 119.817 118.872 0.945 1
1 190 . 16 1 1 X 24 24 GLN H H 17 7.569 8.115 -0.546 1
1 191 . 16 1 1 X 24 24 GLN HA H 17 3.943 3.975 -0.032 1
1 198 . 16 1 1 X 24 24 GLN C C 17 178.313 178.081 0.232 1
1 199 . 16 1 1 X 24 24 GLN CA C 17 59.289 59.178 0.111 1
1 200 . 16 1 1 X 24 24 GLN CB C 17 27.814 28.076 -0.262 1
1 203 . 16 1 1 X 24 24 GLN N N 17 117.658 121.072 -3.414 1
1 205 . 16 1 1 X 25 25 LEU H H 18 7.512 7.744 -0.232 1
1 206 . 16 1 1 X 25 25 LEU HA H 18 4.136 3.982 0.154 1
1 216 . 16 1 1 X 25 25 LEU C C 18 178.440 178.076 0.364 1
1 217 . 16 1 1 X 25 25 LEU CA C 18 58.651 58.108 0.543 1
1 218 . 16 1 1 X 25 25 LEU CB C 18 40.626 41.241 -0.615 1
1 222 . 16 1 1 X 25 25 LEU N N 18 122.037 120.729 1.308 1
1 223 . 16 1 1 X 26 26 LEU H H 19 7.761 7.967 -0.206 1
1 224 . 16 1 1 X 26 26 LEU HA H 19 3.748 3.610 0.138 1
1 234 . 16 1 1 X 26 26 LEU C C 19 180.080 179.240 0.840 1
1 235 . 16 1 1 X 26 26 LEU CA C 19 58.041 57.485 0.556 1
1 236 . 16 1 1 X 26 26 LEU CB C 19 41.009 41.131 -0.122 1
1 240 . 16 1 1 X 26 26 LEU N N 19 118.502 117.859 0.643 1
1 241 . 16 1 1 X 27 27 LYS H H 20 8.357 8.182 0.175 1
1 242 . 16 1 1 X 27 27 LYS HA H 20 4.019 4.170 -0.151 1
1 251 . 16 1 1 X 27 27 LYS C C 20 179.559 179.693 -0.134 1
1 252 . 16 1 1 X 27 27 LYS CA C 20 59.648 59.914 -0.266 1
1 253 . 16 1 1 X 27 27 LYS CB C 20 31.995 31.941 0.054 1
1 257 . 16 1 1 X 27 27 LYS N N 20 120.427 118.398 2.029 1
1 258 . 16 1 1 X 28 28 GLU H H 21 8.123 7.683 0.440 1
1 259 . 16 1 1 X 28 28 GLU HA H 21 4.082 4.018 0.064 1
1 264 . 16 1 1 X 28 28 GLU C C 21 179.063 179.408 -0.345 1
1 265 . 16 1 1 X 28 28 GLU CA C 21 59.406 59.221 0.185 1
1 266 . 16 1 1 X 28 28 GLU CB C 21 29.146 29.605 -0.459 1
1 268 . 16 1 1 X 28 28 GLU N N 21 122.374 120.045 2.329 1
1 269 . 16 1 1 X 29 29 ILE H H 22 8.049 8.250 -0.201 1
1 270 . 16 1 1 X 29 29 ILE HA H 22 3.343 3.563 -0.220 1
1 280 . 16 1 1 X 29 29 ILE C C 22 177.151 178.165 -1.014 1
1 281 . 16 1 1 X 29 29 ILE CA C 22 66.435 65.103 1.332 1
1 282 . 16 1 1 X 29 29 ILE CB C 22 37.954 37.446 0.508 1
1 286 . 16 1 1 X 29 29 ILE N N 22 120.195 121.045 -0.850 1
1 287 . 16 1 1 X 30 30 GLU H H 23 7.820 8.073 -0.253 1
1 288 . 16 1 1 X 30 30 GLU HA H 23 3.983 3.773 0.210 1
1 293 . 16 1 1 X 30 30 GLU C C 23 178.990 179.043 -0.053 1
1 294 . 16 1 1 X 30 30 GLU CA C 23 59.460 59.779 -0.319 1
1 295 . 16 1 1 X 30 30 GLU CB C 23 30.012 29.354 0.658 1
1 297 . 16 1 1 X 30 30 GLU N N 23 118.917 119.212 -0.295 1
1 298 . 16 1 1 X 31 31 LYS H H 24 7.678 7.383 0.295 1
1 299 . 16 1 1 X 31 31 LYS HA H 24 4.059 3.915 0.144 1
1 308 . 16 1 1 X 31 31 LYS C C 24 179.231 179.324 -0.093 1
1 309 . 16 1 1 X 31 31 LYS CA C 24 59.152 59.629 -0.477 1
1 310 . 16 1 1 X 31 31 LYS CB C 24 32.712 31.957 0.755 1
1 314 . 16 1 1 X 31 31 LYS N N 24 118.807 120.435 -1.628 1
1 315 . 16 1 1 X 32 32 GLU H H 25 8.182 8.181 0.001 1
1 316 . 16 1 1 X 32 32 GLU HA H 25 4.309 4.036 0.273 1
1 321 . 16 1 1 X 32 32 GLU C C 25 177.897 178.891 -0.994 1
1 322 . 16 1 1 X 32 32 GLU CA C 25 57.449 59.213 -1.764 1
1 323 . 16 1 1 X 32 32 GLU CB C 25 29.522 29.283 0.239 1
1 325 . 16 1 1 X 32 32 GLU N N 25 118.578 118.971 -0.393 1
1 326 . 16 1 1 X 33 33 ASN H H 26 8.343 7.995 0.348 1
1 327 . 16 1 1 X 33 33 ASN HA H 26 4.608 4.393 0.215 1
1 330 . 16 1 1 X 33 33 ASN C C 26 176.524 177.583 -1.059 1
1 331 . 16 1 1 X 33 33 ASN CA C 26 55.463 56.276 -0.813 1
1 332 . 16 1 1 X 33 33 ASN CB C 26 39.074 38.507 0.567 1
1 333 . 16 1 1 X 33 33 ASN N N 26 118.483 118.525 -0.042 1
1 334 . 16 1 1 X 34 34 VAL H H 27 7.434 7.825 -0.391 1
1 335 . 16 1 1 X 34 34 VAL HA H 27 4.182 3.973 0.209 1
1 343 . 16 1 1 X 34 34 VAL C C 27 176.315 177.109 -0.794 1
1 344 . 16 1 1 X 34 34 VAL CA C 27 62.829 63.816 -0.987 1
1 345 . 16 1 1 X 34 34 VAL CB C 27 32.178 31.134 1.044 1
1 348 . 16 1 1 X 34 34 VAL N N 27 114.036 116.460 -2.424 1
1 349 . 16 1 1 X 35 35 ALA H H 28 7.648 7.698 -0.050 1
1 350 . 16 1 1 X 35 35 ALA HA H 28 4.346 4.267 0.079 1
1 354 . 16 1 1 X 35 35 ALA C C 28 177.126 176.865 0.261 1
1 355 . 16 1 1 X 35 35 ALA CA C 28 52.712 52.206 0.506 1
1 356 . 16 1 1 X 35 35 ALA CB C 28 19.915 19.473 0.442 1
1 357 . 16 1 1 X 35 35 ALA N N 28 124.066 123.839 0.227 1
1 358 . 16 1 1 X 36 36 ALA H H 29 8.337 7.659 0.678 1
1 359 . 16 1 1 X 36 36 ALA HA H 29 4.260 4.037 0.223 1
1 363 . 16 1 1 X 36 36 ALA C C 29 177.999 177.948 0.051 1
1 364 . 16 1 1 X 36 36 ALA CA C 29 53.660 52.838 0.822 1
1 365 . 16 1 1 X 36 36 ALA CB C 29 19.175 17.032 2.143 1
1 366 . 16 1 1 X 36 36 ALA N N 29 121.695 119.572 2.123 1
1 367 . 16 1 1 X 37 37 THR H H 30 8.093 8.002 0.091 1
1 368 . 16 1 1 X 37 37 THR HA H 30 4.533 4.160 0.373 1
1 373 . 16 1 1 X 37 37 THR C C 30 174.715 175.375 -0.660 1
1 374 . 16 1 1 X 37 37 THR CA C 30 60.860 63.247 -2.387 1
1 375 . 16 1 1 X 37 37 THR CB C 30 70.424 70.111 0.313 1
1 377 . 16 1 1 X 37 37 THR N N 30 110.112 110.066 0.046 1
1 378 . 16 1 1 X 38 38 ASP H H 31 8.488 8.208 0.280 1
1 379 . 16 1 1 X 38 38 ASP HA H 31 4.685 4.578 0.107 1
1 382 . 16 1 1 X 38 38 ASP C C 31 175.896 176.663 -0.767 1
1 383 . 16 1 1 X 38 38 ASP CA C 31 54.704 56.401 -1.697 1
1 384 . 16 1 1 X 38 38 ASP CB C 31 41.389 40.408 0.981 1
1 385 . 16 1 1 X 38 38 ASP N N 31 121.899 121.798 0.101 1
1 386 . 16 1 1 X 39 39 ASP H H 32 8.368 8.334 0.034 1
1 387 . 16 1 1 X 39 39 ASP HA H 32 4.459 4.366 0.093 1
1 390 . 16 1 1 X 39 39 ASP C C 32 177.499 178.204 -0.705 1
1 391 . 16 1 1 X 39 39 ASP CA C 32 56.443 57.380 -0.937 1
1 392 . 16 1 1 X 39 39 ASP CB C 32 40.737 41.354 -0.617 1
1 393 . 16 1 1 X 39 39 ASP N N 32 118.770 119.280 -0.510 1
1 394 . 16 1 1 X 40 40 VAL H H 33 7.963 8.038 -0.075 1
1 395 . 16 1 1 X 40 40 VAL HA H 33 3.800 3.854 -0.054 1
1 403 . 16 1 1 X 40 40 VAL C C 33 177.362 177.503 -0.141 1
1 404 . 16 1 1 X 40 40 VAL CA C 33 64.970 64.979 -0.009 1
1 405 . 16 1 1 X 40 40 VAL CB C 33 32.256 31.508 0.748 1
1 408 . 16 1 1 X 40 40 VAL N N 33 119.409 118.029 1.380 1
1 409 . 16 1 1 X 41 41 LEU H H 34 8.508 8.022 0.486 1
1 410 . 16 1 1 X 41 41 LEU HA H 34 3.857 3.880 -0.023 1
1 420 . 16 1 1 X 41 41 LEU C C 34 177.633 178.147 -0.514 1
1 421 . 16 1 1 X 41 41 LEU CA C 34 58.428 58.581 -0.153 1
1 422 . 16 1 1 X 41 41 LEU CB C 34 41.755 41.232 0.523 1
1 426 . 16 1 1 X 41 41 LEU N N 34 122.150 122.510 -0.360 1
1 427 . 16 1 1 X 42 42 ASP H H 35 8.236 8.769 -0.533 1
1 428 . 16 1 1 X 42 42 ASP HA H 35 4.370 4.350 0.020 1
1 431 . 16 1 1 X 42 42 ASP C C 35 179.155 178.650 0.505 1
1 432 . 16 1 1 X 42 42 ASP CA C 35 57.925 57.721 0.204 1
1 433 . 16 1 1 X 42 42 ASP CB C 35 40.417 41.127 -0.710 1
1 434 . 16 1 1 X 42 42 ASP N N 35 116.374 118.901 -2.527 1
1 435 . 16 1 1 X 43 43 VAL H H 36 7.320 7.896 -0.576 1
1 436 . 16 1 1 X 43 43 VAL HA H 36 3.782 3.604 0.178 1
1 444 . 16 1 1 X 43 43 VAL C C 36 179.309 178.386 0.923 1
1 445 . 16 1 1 X 43 43 VAL CA C 36 66.080 66.793 -0.713 1
1 446 . 16 1 1 X 43 43 VAL CB C 36 32.245 31.753 0.492 1
1 449 . 16 1 1 X 43 43 VAL N N 36 119.754 119.886 -0.132 1
1 450 . 16 1 1 X 44 44 LEU H H 37 8.122 8.356 -0.234 1
1 451 . 16 1 1 X 44 44 LEU HA H 37 4.008 3.974 0.034 1
1 461 . 16 1 1 X 44 44 LEU C C 37 179.518 179.245 0.273 1
1 462 . 16 1 1 X 44 44 LEU CA C 37 58.048 57.823 0.225 1
1 463 . 16 1 1 X 44 44 LEU CB C 37 42.374 41.611 0.763 1
1 467 . 16 1 1 X 44 44 LEU N N 37 120.608 118.883 1.725 1
1 468 . 16 1 1 X 45 45 LEU H H 38 8.898 8.483 0.415 1
1 469 . 16 1 1 X 45 45 LEU HA H 38 4.030 3.858 0.172 1
1 479 . 16 1 1 X 45 45 LEU C C 38 179.166 179.508 -0.342 1
1 480 . 16 1 1 X 45 45 LEU CA C 38 58.184 58.215 -0.031 1
1 481 . 16 1 1 X 45 45 LEU CB C 38 41.506 41.627 -0.121 1
1 485 . 16 1 1 X 45 45 LEU N N 38 119.199 118.979 0.220 1
1 486 . 16 1 1 X 46 46 GLU H H 39 7.964 8.715 -0.751 1
1 487 . 16 1 1 X 46 46 GLU HA H 39 4.066 4.141 -0.075 1
1 492 . 16 1 1 X 46 46 GLU C C 39 178.995 178.924 0.071 1
1 493 . 16 1 1 X 46 46 GLU CA C 39 59.769 59.302 0.467 1
1 494 . 16 1 1 X 46 46 GLU CB C 39 29.577 29.070 0.507 1
1 496 . 16 1 1 X 46 46 GLU N N 39 119.334 118.087 1.247 1
1 497 . 16 1 1 X 47 47 HIS H H 40 8.009 8.613 -0.604 1
1 498 . 16 1 1 X 47 47 HIS HA H 40 4.416 4.381 0.035 1
1 503 . 16 1 1 X 47 47 HIS C C 40 176.115 176.897 -0.782 1
1 504 . 16 1 1 X 47 47 HIS CA C 40 60.151 58.811 1.340 1
1 505 . 16 1 1 X 47 47 HIS CB C 40 30.389 30.559 -0.170 1
1 508 . 16 1 1 X 47 47 HIS N N 40 119.610 120.285 -0.675 1
1 509 . 16 1 1 X 48 48 PHE H H 41 8.711 8.473 0.238 1
1 510 . 16 1 1 X 48 48 PHE HA H 41 3.808 4.128 -0.320 1
1 518 . 16 1 1 X 48 48 PHE C C 41 178.023 177.202 0.821 1
1 519 . 16 1 1 X 48 48 PHE CA C 41 62.654 61.394 1.260 1
1 520 . 16 1 1 X 48 48 PHE CB C 41 39.408 39.222 0.186 1
1 526 . 16 1 1 X 48 48 PHE N N 41 118.110 120.221 -2.111 1
1 527 . 16 1 1 X 49 49 VAL H H 42 8.439 8.264 0.175 1
1 528 . 16 1 1 X 49 49 VAL HA H 42 3.359 3.573 -0.214 1
1 536 . 16 1 1 X 49 49 VAL C C 42 178.340 177.638 0.702 1
1 537 . 16 1 1 X 49 49 VAL CA C 42 67.276 64.459 2.817 1
1 538 . 16 1 1 X 49 49 VAL CB C 42 32.235 31.368 0.867 1
1 541 . 16 1 1 X 49 49 VAL N N 42 121.301 118.658 2.643 1
1 542 . 16 1 1 X 50 50 LYS H H 43 8.091 8.677 -0.586 1
1 543 . 16 1 1 X 50 50 LYS HA H 43 3.973 4.039 -0.066 1
1 552 . 16 1 1 X 50 50 LYS C C 43 178.985 178.243 0.742 1
1 553 . 16 1 1 X 50 50 LYS CA C 43 59.580 58.915 0.665 1
1 554 . 16 1 1 X 50 50 LYS CB C 43 32.784 31.824 0.960 1
1 558 . 16 1 1 X 50 50 LYS N N 43 120.887 119.871 1.016 1
1 559 . 16 1 1 X 51 51 ILE H H 44 8.347 7.344 1.003 1
1 560 . 16 1 1 X 51 51 ILE HA H 44 4.159 3.942 0.217 1
1 570 . 16 1 1 X 51 51 ILE C C 44 178.121 178.038 0.083 1
1 571 . 16 1 1 X 51 51 ILE CA C 44 62.328 64.138 -1.810 1
1 572 . 16 1 1 X 51 51 ILE CB C 44 37.576 37.798 -0.222 1
1 576 . 16 1 1 X 51 51 ILE N N 44 111.354 117.045 -5.691 1
1 577 . 16 1 1 X 52 52 THR H H 45 7.588 7.766 -0.178 1
1 578 . 16 1 1 X 52 52 THR HA H 45 3.683 4.221 -0.538 1
1 583 . 16 1 1 X 52 52 THR C C 45 176.285 174.306 1.979 1
1 584 . 16 1 1 X 52 52 THR CA C 45 65.803 65.158 0.645 1
1 585 . 16 1 1 X 52 52 THR CB C 45 69.689 69.092 0.597 1
1 587 . 16 1 1 X 52 52 THR N N 45 109.646 116.818 -7.172 1
1 588 . 16 1 1 X 53 53 GLU H H 46 7.366 7.936 -0.570 1
1 589 . 16 1 1 X 53 53 GLU HA H 46 3.836 4.202 -0.366 1
1 594 . 16 1 1 X 53 53 GLU C C 46 173.418 174.904 -1.486 1
1 595 . 16 1 1 X 53 53 GLU CA C 46 57.709 57.508 0.201 1
1 596 . 16 1 1 X 53 53 GLU CB C 46 29.067 27.415 1.652 1
1 598 . 16 1 1 X 53 53 GLU N N 46 112.606 119.557 -6.951 1
1 599 . 16 1 1 X 54 54 HIS H H 47 7.127 7.490 -0.363 1
1 600 . 16 1 1 X 54 54 HIS HA H 47 3.070 3.068 0.002 1
1 605 . 16 1 1 X 54 54 HIS CA C 47 55.826 54.674 1.152 1
1 606 . 16 1 1 X 54 54 HIS CB C 47 32.124 30.738 1.386 1
1 609 . 16 1 1 X 54 54 HIS N N 47 119.651 119.838 -0.187 1
1 610 . 16 1 1 X 55 55 PRO HA H 48 4.143 4.303 -0.160 1
1 617 . 16 1 1 X 55 55 PRO CA C 48 64.843 63.978 0.865 1
1 618 . 16 1 1 X 55 55 PRO CB C 48 32.350 31.358 0.992 1
1 621 . 16 1 1 X 56 56 ASP H H 49 10.605 7.902 2.703 1
1 622 . 16 1 1 X 56 56 ASP HA H 49 4.712 5.115 -0.403 1
1 625 . 16 1 1 X 56 56 ASP C C 49 178.187 177.237 0.950 1
1 626 . 16 1 1 X 56 56 ASP CA C 49 54.989 53.702 1.287 1
1 627 . 16 1 1 X 56 56 ASP CB C 49 40.657 42.102 -1.445 1
1 628 . 16 1 1 X 56 56 ASP N N 49 121.022 118.776 2.246 1
1 629 . 16 1 1 X 57 57 GLY H H 50 8.011 8.224 -0.213 1
1 630 . 16 1 1 X 57 57 GLY HA2 H 50 4.122 3.914 0.208 1
1 631 . 16 1 1 X 57 57 GLY HA3 H 50 3.701 3.959 -0.258 1
1 632 . 16 1 1 X 57 57 GLY C C 50 175.337 176.164 -0.827 1
1 633 . 16 1 1 X 57 57 GLY CA C 50 47.435 47.517 -0.082 1
1 634 . 16 1 1 X 57 57 GLY N N 50 108.190 109.257 -1.067 1
1 635 . 16 1 1 X 58 58 THR H H 51 9.047 8.189 0.858 1
1 636 . 16 1 1 X 58 58 THR HA H 51 3.730 4.228 -0.498 1
1 641 . 16 1 1 X 58 58 THR C C 51 176.082 177.253 -1.171 1
1 642 . 16 1 1 X 58 58 THR CA C 51 64.795 64.770 0.025 1
1 643 . 16 1 1 X 58 58 THR CB C 51 68.398 68.651 -0.253 1
1 645 . 16 1 1 X 58 58 THR N N 51 114.996 115.949 -0.953 1
1 646 . 16 1 1 X 59 59 ALA H H 52 8.142 8.190 -0.048 1
1 647 . 16 1 1 X 59 59 ALA HA H 52 4.205 4.156 0.049 1
1 651 . 16 1 1 X 59 59 ALA C C 52 179.373 180.082 -0.709 1
1 652 . 16 1 1 X 59 59 ALA CA C 52 55.625 55.202 0.423 1
1 653 . 16 1 1 X 59 59 ALA CB C 52 18.416 18.066 0.350 1
1 654 . 16 1 1 X 59 59 ALA N N 52 125.565 124.746 0.819 1
1 655 . 16 1 1 X 60 60 LEU H H 53 7.399 8.457 -1.058 1
1 656 . 16 1 1 X 60 60 LEU HA H 53 3.835 3.982 -0.147 1
1 666 . 16 1 1 X 60 60 LEU C C 53 178.601 179.304 -0.703 1
1 667 . 16 1 1 X 60 60 LEU CA C 53 58.031 57.887 0.144 1
1 668 . 16 1 1 X 60 60 LEU CB C 53 43.487 41.566 1.921 1
1 672 . 16 1 1 X 60 60 LEU N N 53 114.763 118.121 -3.358 1
1 673 . 16 1 1 X 61 61 ILE H H 54 6.855 7.623 -0.768 1
1 674 . 16 1 1 X 61 61 ILE HA H 54 3.518 3.336 0.182 1
1 684 . 16 1 1 X 61 61 ILE C C 54 178.595 177.648 0.947 1
1 685 . 16 1 1 X 61 61 ILE CA C 54 62.989 64.998 -2.009 1
1 686 . 16 1 1 X 61 61 ILE CB C 54 38.424 37.327 1.097 1
1 690 . 16 1 1 X 61 61 ILE N N 54 114.394 120.267 -5.873 1
1 691 . 16 1 1 X 62 62 TYR H H 55 7.489 7.958 -0.469 1
1 692 . 16 1 1 X 62 62 TYR HA H 55 4.243 4.215 0.028 1
1 699 . 16 1 1 X 62 62 TYR C C 55 178.634 178.755 -0.121 1
1 700 . 16 1 1 X 62 62 TYR CA C 55 61.518 60.673 0.845 1
1 701 . 16 1 1 X 62 62 TYR CB C 55 37.566 37.680 -0.114 1
1 706 . 16 1 1 X 62 62 TYR N N 55 117.898 118.835 -0.937 1
1 707 . 16 1 1 X 63 63 GLU H H 56 8.659 8.651 0.008 1
1 708 . 16 1 1 X 63 63 GLU HA H 56 4.441 4.111 0.330 1
1 713 . 16 1 1 X 63 63 GLU C C 56 177.785 178.988 -1.203 1
1 714 . 16 1 1 X 63 63 GLU CA C 56 57.658 59.364 -1.706 1
1 715 . 16 1 1 X 63 63 GLU CB C 56 29.034 29.286 -0.252 1
1 717 . 16 1 1 X 63 63 GLU N N 56 119.392 117.623 1.769 1
1 718 . 16 1 1 X 64 64 ALA H H 57 7.164 8.250 -1.086 1
1 719 . 16 1 1 X 64 64 ALA HA H 57 4.021 4.075 -0.054 1
1 723 . 16 1 1 X 64 64 ALA C C 57 180.327 179.804 0.523 1
1 724 . 16 1 1 X 64 64 ALA CA C 57 55.759 55.091 0.668 1
1 725 . 16 1 1 X 64 64 ALA CB C 57 18.615 18.113 0.502 1
1 726 . 16 1 1 X 64 64 ALA N N 57 121.778 122.118 -0.340 1
1 727 . 16 1 1 X 65 65 ALA H H 58 8.076 8.251 -0.175 1
1 728 . 16 1 1 X 65 65 ALA HA H 58 4.137 3.923 0.214 1
1 732 . 16 1 1 X 65 65 ALA C C 58 180.248 179.635 0.613 1
1 733 . 16 1 1 X 65 65 ALA CA C 58 55.104 55.016 0.088 1
1 734 . 16 1 1 X 65 65 ALA CB C 58 18.071 18.087 -0.016 1
1 735 . 16 1 1 X 65 65 ALA N N 58 120.307 119.878 0.429 1
1 736 . 16 1 1 X 66 66 ALA H H 59 7.893 7.787 0.106 1
1 737 . 16 1 1 X 66 66 ALA HA H 59 4.170 4.032 0.138 1
1 741 . 16 1 1 X 66 66 ALA C C 59 180.838 179.538 1.300 1
1 742 . 16 1 1 X 66 66 ALA CA C 59 54.800 55.080 -0.280 1
1 743 . 16 1 1 X 66 66 ALA CB C 59 18.184 18.017 0.167 1
1 744 . 16 1 1 X 66 66 ALA N N 59 122.126 119.931 2.195 1
1 745 . 16 1 1 X 67 67 ARG H H 60 8.139 8.585 -0.446 1
1 746 . 16 1 1 X 67 67 ARG HA H 60 4.065 3.959 0.106 1
1 753 . 16 1 1 X 67 67 ARG C C 60 178.779 178.518 0.261 1
1 754 . 16 1 1 X 67 67 ARG CA C 60 59.282 59.766 -0.484 1
1 755 . 16 1 1 X 67 67 ARG CB C 60 30.863 30.023 0.840 1
1 758 . 16 1 1 X 67 67 ARG N N 60 118.948 118.164 0.784 1
1 759 . 16 1 1 X 68 68 ALA H H 61 7.891 8.505 -0.614 1
1 760 . 16 1 1 X 68 68 ALA HA H 61 4.141 4.074 0.067 1
1 764 . 16 1 1 X 68 68 ALA C C 61 179.329 179.828 -0.499 1
1 765 . 16 1 1 X 68 68 ALA CA C 61 54.340 54.601 -0.261 1
1 766 . 16 1 1 X 68 68 ALA CB C 61 18.528 18.083 0.445 1
1 767 . 16 1 1 X 68 68 ALA N N 61 121.473 122.045 -0.572 1
1 768 . 16 1 1 X 69 69 ALA H H 62 7.663 7.797 -0.134 1
1 769 . 16 1 1 X 69 69 ALA HA H 62 4.133 4.107 0.026 1
1 773 . 16 1 1 X 69 69 ALA C C 62 178.591 178.716 -0.125 1
1 774 . 16 1 1 X 69 69 ALA CA C 62 53.863 54.298 -0.435 1
1 775 . 16 1 1 X 69 69 ALA CB C 62 18.438 18.157 0.281 1
1 776 . 16 1 1 X 69 69 ALA N N 62 118.937 120.274 -1.337 1
1 777 . 16 1 1 X 70 70 ALA H H 63 7.488 7.344 0.144 1
1 778 . 16 1 1 X 70 70 ALA HA H 63 4.280 4.387 -0.107 1
1 782 . 16 1 1 X 70 70 ALA C C 63 177.318 177.351 -0.033 1
1 783 . 16 1 1 X 70 70 ALA CA C 63 52.981 52.556 0.425 1
1 784 . 16 1 1 X 70 70 ALA CB C 63 19.324 20.570 -1.246 1
1 785 . 16 1 1 X 70 70 ALA N N 63 118.642 119.578 -0.936 1
1 786 . 16 1 1 X 71 71 ASN H H 64 7.631 8.654 -1.023 1
1 787 . 16 1 1 X 71 71 ASN HA H 64 5.077 4.398 0.679 1
1 792 . 16 1 1 X 71 71 ASN CA C 64 50.877 53.924 -3.047 1
1 793 . 16 1 1 X 71 71 ASN CB C 64 39.243 36.924 2.319 1
1 795 . 16 1 1 X 71 71 ASN N N 64 116.008 115.565 0.443 1
1 797 . 16 1 1 X 72 72 PRO HA H 65 4.468 4.549 -0.081 1
1 804 . 16 1 1 X 72 72 PRO CA C 65 64.454 63.902 0.552 1
1 805 . 16 1 1 X 72 72 PRO CB C 65 32.007 32.087 -0.080 1
1 808 . 16 1 1 X 73 73 GLY H H 66 8.608 7.327 1.281 1
1 809 . 16 1 1 X 73 73 GLY HA2 H 66 3.978 4.092 -0.114 1
1 810 . 16 1 1 X 73 73 GLY HA3 H 66 3.978 4.095 -0.117 1
1 811 . 16 1 1 X 73 73 GLY C C 66 175.054 175.025 0.029 1
1 812 . 16 1 1 X 73 73 GLY CA C 66 45.521 45.585 -0.064 1
1 813 . 16 1 1 X 73 73 GLY N N 66 109.435 102.057 7.378 1
1 814 . 16 1 1 X 74 74 GLY H H 67 8.085 8.871 -0.786 1
1 815 . 16 1 1 X 74 74 GLY HA2 H 67 4.132 3.859 0.273 1
1 816 . 16 1 1 X 74 74 GLY HA3 H 67 3.896 3.863 0.033 1
1 817 . 16 1 1 X 74 74 GLY C C 67 174.008 174.525 -0.517 1
1 818 . 16 1 1 X 74 74 GLY CA C 67 45.450 47.233 -1.783 1
1 819 . 16 1 1 X 74 74 GLY N N 67 108.472 108.331 0.141 1
1 820 . 16 1 1 X 75 75 ASP H H 68 8.307 7.730 0.577 1
1 821 . 16 1 1 X 75 75 ASP HA H 68 4.646 4.711 -0.065 1
1 824 . 16 1 1 X 75 75 ASP C C 68 176.933 176.920 0.013 1
1 825 . 16 1 1 X 75 75 ASP CA C 68 54.226 55.081 -0.855 1
1 826 . 16 1 1 X 75 75 ASP CB C 68 41.486 41.051 0.435 1
1 827 . 16 1 1 X 75 75 ASP N N 68 119.941 118.230 1.711 1
1 828 . 16 1 1 X 76 76 GLY H H 69 8.502 8.926 -0.424 1
1 829 . 16 1 1 X 76 76 GLY HA2 H 69 3.966 3.989 -0.023 1
1 830 . 16 1 1 X 76 76 GLY HA3 H 69 3.951 3.991 -0.040 1
1 831 . 16 1 1 X 76 76 GLY C C 69 174.771 174.600 0.171 1
1 832 . 16 1 1 X 76 76 GLY CA C 69 45.744 45.615 0.129 1
1 833 . 16 1 1 X 76 76 GLY N N 69 109.061 111.267 -2.206 1
1 834 . 16 1 1 X 77 77 GLY H H 70 8.367 8.390 -0.023 1
1 835 . 16 1 1 X 77 77 GLY HA2 H 70 4.092 3.885 0.207 1
1 836 . 16 1 1 X 77 77 GLY HA3 H 70 3.920 3.889 0.031 1
1 837 . 16 1 1 X 77 77 GLY C C 70 174.782 173.914 0.868 1
1 838 . 16 1 1 X 77 77 GLY CA C 70 45.327 46.722 -1.395 1
1 839 . 16 1 1 X 77 77 GLY N N 70 108.393 108.236 0.157 1
1 840 . 16 1 1 X 78 78 GLY H H 71 8.263 7.932 0.331 1
1 841 . 16 1 1 X 78 78 GLY HA2 H 71 4.205 4.150 0.055 1
1 842 . 16 1 1 X 78 78 GLY HA3 H 71 4.092 4.163 -0.071 1
1 843 . 16 1 1 X 78 78 GLY CA C 71 45.581 45.160 0.421 1
1 844 . 16 1 1 X 78 78 GLY N N 71 108.388 110.162 -1.774 1
1 845 . 16 1 1 X 79 79 PRO HA H 72 4.199 4.276 -0.077 1
1 852 . 16 1 1 X 79 79 PRO C C 72 178.000 177.837 0.163 1
1 853 . 16 1 1 X 79 79 PRO CA C 72 65.568 65.121 0.447 1
1 854 . 16 1 1 X 79 79 PRO CB C 72 32.864 31.763 1.101 1
1 857 . 16 1 1 X 80 80 GLU H H 73 9.283 8.409 0.874 1
1 858 . 16 1 1 X 80 80 GLU HA H 73 3.833 4.205 -0.372 1
1 863 . 16 1 1 X 80 80 GLU C C 73 179.587 177.813 1.774 1
1 864 . 16 1 1 X 80 80 GLU CA C 73 61.125 57.760 3.365 1
1 865 . 16 1 1 X 80 80 GLU CB C 73 28.576 29.345 -0.769 1
1 867 . 16 1 1 X 80 80 GLU N N 73 117.078 116.448 0.630 1
1 868 . 16 1 1 X 81 81 GLY H H 74 7.926 7.984 -0.058 1
1 869 . 16 1 1 X 81 81 GLY HA2 H 74 3.964 3.887 0.077 1
1 870 . 16 1 1 X 81 81 GLY HA3 H 74 3.914 3.904 0.010 1
1 871 . 16 1 1 X 81 81 GLY C C 74 176.538 176.444 0.094 1
1 872 . 16 1 1 X 81 81 GLY CA C 74 47.084 46.443 0.641 1
1 873 . 16 1 1 X 81 81 GLY N N 74 108.577 108.354 0.223 1
1 874 . 16 1 1 X 82 82 ILE H H 75 7.593 8.224 -0.631 1
1 875 . 16 1 1 X 82 82 ILE HA H 75 3.873 3.954 -0.081 1
1 885 . 16 1 1 X 82 82 ILE C C 75 178.147 178.316 -0.169 1
1 886 . 16 1 1 X 82 82 ILE CA C 75 65.342 64.406 0.936 1
1 887 . 16 1 1 X 82 82 ILE CB C 75 38.163 37.178 0.985 1
1 891 . 16 1 1 X 82 82 ILE N N 75 123.572 119.593 3.979 1
1 892 . 16 1 1 X 83 83 VAL H H 76 8.135 7.627 0.508 1
1 893 . 16 1 1 X 83 83 VAL HA H 76 3.575 4.132 -0.557 1
1 901 . 16 1 1 X 83 83 VAL C C 76 177.094 178.010 -0.916 1
1 902 . 16 1 1 X 83 83 VAL CA C 76 68.153 65.862 2.291 1
1 903 . 16 1 1 X 83 83 VAL CB C 76 31.653 31.513 0.140 1
1 906 . 16 1 1 X 83 83 VAL N N 76 118.553 119.366 -0.813 1
1 907 . 16 1 1 X 84 84 LYS H H 77 7.803 8.122 -0.319 1
1 908 . 16 1 1 X 84 84 LYS HA H 77 4.006 4.123 -0.117 1
1 917 . 16 1 1 X 84 84 LYS C C 77 178.064 178.906 -0.842 1
1 918 . 16 1 1 X 84 84 LYS CA C 77 60.516 59.466 1.050 1
1 919 . 16 1 1 X 84 84 LYS CB C 77 32.849 32.559 0.290 1
1 923 . 16 1 1 X 84 84 LYS N N 77 119.572 121.013 -1.441 1
1 924 . 16 1 1 X 85 85 GLU H H 78 7.629 7.611 0.018 1
1 925 . 16 1 1 X 85 85 GLU HA H 78 4.246 4.132 0.114 1
1 930 . 16 1 1 X 85 85 GLU C C 78 179.834 179.611 0.223 1
1 931 . 16 1 1 X 85 85 GLU CA C 78 59.752 59.346 0.406 1
1 932 . 16 1 1 X 85 85 GLU CB C 78 29.189 29.600 -0.411 1
1 934 . 16 1 1 X 85 85 GLU N N 78 118.366 118.716 -0.350 1
1 935 . 16 1 1 X 86 86 ILE H H 79 8.432 8.237 0.195 1
1 936 . 16 1 1 X 86 86 ILE HA H 79 3.781 3.756 0.025 1
1 946 . 16 1 1 X 86 86 ILE C C 79 177.578 178.341 -0.763 1
1 947 . 16 1 1 X 86 86 ILE CA C 79 65.454 65.028 0.426 1
1 948 . 16 1 1 X 86 86 ILE CB C 79 37.940 37.844 0.096 1
1 952 . 16 1 1 X 86 86 ILE N N 79 118.975 120.273 -1.298 1
1 953 . 16 1 1 X 87 87 LYS H H 80 9.096 8.634 0.462 1
1 954 . 16 1 1 X 87 87 LYS HA H 80 3.958 3.572 0.386 1
1 963 . 16 1 1 X 87 87 LYS C C 80 180.285 178.589 1.696 1
1 964 . 16 1 1 X 87 87 LYS CA C 80 60.290 58.864 1.426 1
1 965 . 16 1 1 X 87 87 LYS CB C 80 33.299 31.808 1.491 1
1 969 . 16 1 1 X 87 87 LYS N N 80 119.805 120.301 -0.496 1
1 970 . 16 1 1 X 88 88 GLU H H 81 8.508 7.910 0.598 1
1 971 . 16 1 1 X 88 88 GLU HA H 81 4.099 4.042 0.057 1
1 976 . 16 1 1 X 88 88 GLU C C 81 179.195 178.915 0.280 1
1 977 . 16 1 1 X 88 88 GLU CA C 81 59.632 59.116 0.516 1
1 978 . 16 1 1 X 88 88 GLU CB C 81 29.649 29.335 0.314 1
1 980 . 16 1 1 X 88 88 GLU N N 81 118.920 119.200 -0.280 1
1 981 . 16 1 1 X 89 89 TRP H H 82 8.682 8.061 0.621 1
1 982 . 16 1 1 X 89 89 TRP HA H 82 4.201 4.264 -0.063 1
1 991 . 16 1 1 X 89 89 TRP C C 82 179.807 177.790 2.017 1
1 992 . 16 1 1 X 89 89 TRP CA C 82 63.110 61.076 2.034 1
1 993 . 16 1 1 X 89 89 TRP CB C 82 29.285 29.508 -0.223 1
1 999 . 16 1 1 X 89 89 TRP N N 82 122.152 122.076 0.076 1
1 1001 . 16 1 1 X 90 90 ARG H H 83 9.025 8.490 0.535 1
1 1002 . 16 1 1 X 90 90 ARG HA H 83 3.295 3.956 -0.661 1
1 1009 . 16 1 1 X 90 90 ARG C C 83 178.120 177.945 0.175 1
1 1010 . 16 1 1 X 90 90 ARG CA C 83 60.895 59.742 1.153 1
1 1011 . 16 1 1 X 90 90 ARG CB C 83 28.668 29.643 -0.975 1
1 1014 . 16 1 1 X 90 90 ARG N N 83 118.380 119.348 -0.968 1
1 1015 . 16 1 1 X 91 91 ALA H H 84 7.759 8.032 -0.273 1
1 1016 . 16 1 1 X 91 91 ALA HA H 84 4.151 4.066 0.085 1
1 1020 . 16 1 1 X 91 91 ALA C C 84 181.466 180.060 1.406 1
1 1021 . 16 1 1 X 91 91 ALA CA C 84 55.217 54.876 0.341 1
1 1022 . 16 1 1 X 91 91 ALA CB C 84 18.175 18.006 0.169 1
1 1023 . 16 1 1 X 91 91 ALA N N 84 120.210 120.407 -0.197 1
1 1024 . 16 1 1 X 92 92 ALA H H 85 7.943 7.946 -0.003 1
1 1025 . 16 1 1 X 92 92 ALA HA H 85 4.081 4.031 0.050 1
1 1029 . 16 1 1 X 92 92 ALA C C 85 178.324 179.425 -1.101 1
1 1030 . 16 1 1 X 92 92 ALA CA C 85 54.244 55.047 -0.803 1
1 1031 . 16 1 1 X 92 92 ALA CB C 85 18.306 18.265 0.041 1
1 1032 . 16 1 1 X 92 92 ALA N N 85 120.470 120.787 -0.317 1
1 1033 . 16 1 1 X 93 93 ASN H H 86 7.005 7.976 -0.971 1
1 1034 . 16 1 1 X 93 93 ASN HA H 86 4.475 4.392 0.083 1
1 1039 . 16 1 1 X 93 93 ASN C C 86 174.108 175.343 -1.235 1
1 1040 . 16 1 1 X 93 93 ASN CA C 86 53.347 53.385 -0.038 1
1 1041 . 16 1 1 X 93 93 ASN CB C 86 39.379 38.479 0.900 1
1 1043 . 16 1 1 X 93 93 ASN N N 86 113.372 114.027 -0.655 1
1 1045 . 16 1 1 X 94 94 GLY H H 87 7.535 7.928 -0.393 1
1 1046 . 16 1 1 X 94 94 GLY HA2 H 87 3.810 3.873 -0.063 1
1 1047 . 16 1 1 X 94 94 GLY HA3 H 87 3.810 3.878 -0.068 1
1 1048 . 16 1 1 X 94 94 GLY C C 87 174.481 174.044 0.437 1
1 1049 . 16 1 1 X 94 94 GLY CA C 87 47.230 45.974 1.256 1
1 1050 . 16 1 1 X 94 94 GLY N N 87 108.152 107.070 1.082 1
1 1051 . 16 1 1 X 95 95 LYS H H 88 8.037 8.127 -0.090 1
1 1052 . 16 1 1 X 95 95 LYS HA H 88 4.654 4.759 -0.105 1
1 1061 . 16 1 1 X 95 95 LYS CA C 88 53.357 52.991 0.366 1
1 1062 . 16 1 1 X 95 95 LYS CB C 88 32.741 33.603 -0.862 1
1 1066 . 16 1 1 X 95 95 LYS N N 88 119.147 119.786 -0.639 1
1 1067 . 16 1 1 X 96 96 PRO HA H 89 4.275 4.498 -0.223 1
1 1074 . 16 1 1 X 96 96 PRO C C 89 176.696 177.137 -0.441 1
1 1075 . 16 1 1 X 96 96 PRO CA C 89 63.482 63.227 0.255 1
1 1076 . 16 1 1 X 96 96 PRO CB C 89 32.981 32.060 0.921 1
1 1079 . 16 1 1 X 97 97 GLY H H 90 8.336 8.335 0.001 1
1 1080 . 16 1 1 X 97 97 GLY HA2 H 90 4.074 3.837 0.237 1
1 1081 . 16 1 1 X 97 97 GLY HA3 H 90 3.615 3.868 -0.253 1
1 1082 . 16 1 1 X 97 97 GLY C C 90 173.388 173.578 -0.190 1
1 1083 . 16 1 1 X 97 97 GLY CA C 90 43.347 44.032 -0.685 1
1 1084 . 16 1 1 X 97 97 GLY N N 90 110.343 107.435 2.908 1
1 1085 . 16 1 1 X 98 98 PHE H H 91 7.749 7.959 -0.210 1
1 1086 . 16 1 1 X 98 98 PHE HA H 91 4.527 4.688 -0.161 1
1 1094 . 16 1 1 X 98 98 PHE C C 91 177.021 176.083 0.938 1
1 1095 . 16 1 1 X 98 98 PHE CA C 91 59.184 58.315 0.869 1
1 1096 . 16 1 1 X 98 98 PHE CB C 91 40.005 39.528 0.477 1
1 1102 . 16 1 1 X 98 98 PHE N N 91 116.151 120.153 -4.002 1
1 1103 . 16 1 1 X 99 99 LYS H H 92 8.531 9.187 -0.656 1
1 1104 . 16 1 1 X 99 99 LYS HA H 92 4.178 4.368 -0.190 1
1 1113 . 16 1 1 X 99 99 LYS C C 92 176.542 177.967 -1.425 1
1 1114 . 16 1 1 X 99 99 LYS CA C 92 57.292 56.371 0.921 1
1 1115 . 16 1 1 X 99 99 LYS CB C 92 32.875 33.088 -0.213 1
1 1119 . 16 1 1 X 99 99 LYS N N 92 123.602 122.388 1.214 1
1 1120 . 16 1 1 X 100 100 GLN H H 93 8.633 8.540 0.093 1
1 1121 . 16 1 1 X 100 100 GLN HA H 93 4.297 4.587 -0.290 1
1 1128 . 16 1 1 X 100 100 GLN C C 93 175.318 176.833 -1.515 1
1 1129 . 16 1 1 X 100 100 GLN CA C 93 56.479 55.210 1.269 1
1 1130 . 16 1 1 X 100 100 GLN CB C 93 29.751 28.141 1.610 1
1 1133 . 16 1 1 X 100 100 GLN N N 93 125.089 120.284 4.805 1
1 12 . 17 1 1 X 10 10 LEU H H 3 8.121 8.656 -0.535 1
1 13 . 17 1 1 X 10 10 LEU HA H 3 4.240 5.537 -1.297 1
1 23 . 17 1 1 X 10 10 LEU C C 3 176.909 176.019 0.890 1
1 24 . 17 1 1 X 10 10 LEU CA C 3 54.748 53.422 1.326 1
1 25 . 17 1 1 X 10 10 LEU CB C 3 41.272 45.135 -3.863 1
1 29 . 17 1 1 X 10 10 LEU N N 3 123.688 121.773 1.915 1
1 30 . 17 1 1 X 11 11 LYS H H 4 7.677 8.759 -1.082 1
1 31 . 17 1 1 X 11 11 LYS HA H 4 4.404 4.618 -0.214 1
1 40 . 17 1 1 X 11 11 LYS C C 4 176.184 177.341 -1.157 1
1 41 . 17 1 1 X 11 11 LYS CA C 4 55.828 54.418 1.410 1
1 42 . 17 1 1 X 11 11 LYS CB C 4 33.482 34.580 -1.098 1
1 46 . 17 1 1 X 11 11 LYS N N 4 122.221 121.814 0.407 1
1 47 . 17 1 1 X 12 12 ASN H H 5 8.538 8.719 -0.181 1
1 48 . 17 1 1 X 12 12 ASN HA H 5 4.685 4.739 -0.054 1
1 53 . 17 1 1 X 12 12 ASN C C 5 174.925 175.331 -0.406 1
1 54 . 17 1 1 X 12 12 ASN CA C 5 55.721 54.932 0.789 1
1 55 . 17 1 1 X 12 12 ASN CB C 5 40.409 40.060 0.349 1
1 57 . 17 1 1 X 12 12 ASN N N 5 116.610 119.938 -3.328 1
1 59 . 17 1 1 X 13 13 SER H H 6 8.144 7.670 0.474 1
1 60 . 17 1 1 X 13 13 SER HA H 6 4.819 4.808 0.011 1
1 63 . 17 1 1 X 13 13 SER C C 6 175.123 174.889 0.234 1
1 64 . 17 1 1 X 13 13 SER CA C 6 56.778 55.746 1.032 1
1 65 . 17 1 1 X 13 13 SER CB C 6 65.949 66.845 -0.896 1
1 66 . 17 1 1 X 13 13 SER N N 6 112.138 109.872 2.266 1
1 67 . 17 1 1 X 14 14 ILE H H 7 9.318 9.000 0.318 1
1 68 . 17 1 1 X 14 14 ILE HA H 7 3.966 4.290 -0.324 1
1 78 . 17 1 1 X 14 14 ILE C C 7 175.537 177.621 -2.084 1
1 79 . 17 1 1 X 14 14 ILE CA C 7 64.956 64.567 0.389 1
1 80 . 17 1 1 X 14 14 ILE CB C 7 37.062 37.569 -0.507 1
1 84 . 17 1 1 X 14 14 ILE N N 7 126.034 126.162 -0.128 1
1 85 . 17 1 1 X 15 15 SER H H 8 7.504 8.033 -0.529 1
1 86 . 17 1 1 X 15 15 SER HA H 8 4.694 4.412 0.282 1
1 89 . 17 1 1 X 15 15 SER C C 8 174.278 174.904 -0.626 1
1 90 . 17 1 1 X 15 15 SER CA C 8 59.481 60.431 -0.950 1
1 91 . 17 1 1 X 15 15 SER CB C 8 63.241 63.010 0.231 1
1 92 . 17 1 1 X 15 15 SER N N 8 112.517 116.308 -3.791 1
1 93 . 17 1 1 X 16 16 ASP H H 9 7.783 7.626 0.157 1
1 94 . 17 1 1 X 16 16 ASP HA H 9 4.791 4.774 0.017 1
1 97 . 17 1 1 X 16 16 ASP C C 9 175.976 175.955 0.021 1
1 98 . 17 1 1 X 16 16 ASP CA C 9 55.243 53.772 1.471 1
1 99 . 17 1 1 X 16 16 ASP CB C 9 43.327 41.336 1.991 1
1 100 . 17 1 1 X 16 16 ASP N N 9 117.795 120.348 -2.553 1
1 101 . 17 1 1 X 17 17 TYR H H 10 8.279 7.835 0.444 1
1 102 . 17 1 1 X 17 17 TYR HA H 10 4.962 4.784 0.178 1
1 109 . 17 1 1 X 17 17 TYR C C 10 177.535 176.088 1.447 1
1 110 . 17 1 1 X 17 17 TYR CA C 10 58.573 57.843 0.730 1
1 111 . 17 1 1 X 17 17 TYR CB C 10 41.015 39.468 1.547 1
1 116 . 17 1 1 X 17 17 TYR N N 10 120.484 118.210 2.274 1
1 117 . 17 1 1 X 18 18 THR H H 11 8.796 8.815 -0.019 1
1 118 . 17 1 1 X 18 18 THR HA H 11 5.040 5.265 -0.225 1
1 123 . 17 1 1 X 18 18 THR C C 11 176.099 176.112 -0.013 1
1 124 . 17 1 1 X 18 18 THR CA C 11 60.775 60.791 -0.016 1
1 125 . 17 1 1 X 18 18 THR CB C 11 71.041 71.173 -0.132 1
1 127 . 17 1 1 X 18 18 THR N N 11 112.143 117.256 -5.113 1
1 128 . 17 1 1 X 19 19 GLU H H 12 9.173 8.630 0.543 1
1 129 . 17 1 1 X 19 19 GLU HA H 12 2.757 3.325 -0.568 1
1 134 . 17 1 1 X 19 19 GLU C C 12 178.378 178.563 -0.185 1
1 135 . 17 1 1 X 19 19 GLU CA C 12 60.906 58.807 2.099 1
1 136 . 17 1 1 X 19 19 GLU CB C 12 29.442 28.842 0.600 1
1 138 . 17 1 1 X 19 19 GLU N N 12 122.386 120.748 1.638 1
1 139 . 17 1 1 X 20 20 ALA H H 13 8.356 8.095 0.261 1
1 140 . 17 1 1 X 20 20 ALA HA H 13 4.069 4.039 0.030 1
1 144 . 17 1 1 X 20 20 ALA C C 13 181.816 179.559 2.257 1
1 145 . 17 1 1 X 20 20 ALA CA C 13 55.388 55.262 0.126 1
1 146 . 17 1 1 X 20 20 ALA CB C 13 18.308 18.287 0.021 1
1 147 . 17 1 1 X 20 20 ALA N N 13 118.695 122.139 -3.444 1
1 148 . 17 1 1 X 21 21 GLU H H 14 8.013 8.075 -0.062 1
1 149 . 17 1 1 X 21 21 GLU HA H 14 4.131 4.117 0.014 1
1 154 . 17 1 1 X 21 21 GLU C C 14 179.649 179.238 0.411 1
1 155 . 17 1 1 X 21 21 GLU CA C 14 58.916 59.303 -0.387 1
1 156 . 17 1 1 X 21 21 GLU CB C 14 31.632 29.671 1.961 1
1 158 . 17 1 1 X 21 21 GLU N N 14 118.978 118.757 0.221 1
1 159 . 17 1 1 X 22 22 PHE H H 15 8.635 8.130 0.505 1
1 160 . 17 1 1 X 22 22 PHE HA H 15 4.049 4.081 -0.032 1
1 167 . 17 1 1 X 22 22 PHE C C 15 177.402 177.365 0.037 1
1 168 . 17 1 1 X 22 22 PHE CA C 15 62.183 61.151 1.032 1
1 169 . 17 1 1 X 22 22 PHE CB C 15 40.545 38.831 1.714 1
1 174 . 17 1 1 X 22 22 PHE N N 15 124.639 121.074 3.565 1
1 175 . 17 1 1 X 23 23 VAL H H 16 8.647 8.089 0.558 1
1 176 . 17 1 1 X 23 23 VAL HA H 16 3.416 3.706 -0.290 1
1 184 . 17 1 1 X 23 23 VAL C C 16 177.798 177.431 0.367 1
1 185 . 17 1 1 X 23 23 VAL CA C 16 67.917 64.370 3.547 1
1 186 . 17 1 1 X 23 23 VAL CB C 16 31.579 31.297 0.282 1
1 189 . 17 1 1 X 23 23 VAL N N 16 119.817 118.687 1.130 1
1 190 . 17 1 1 X 24 24 GLN H H 17 7.569 8.284 -0.715 1
1 191 . 17 1 1 X 24 24 GLN HA H 17 3.943 3.976 -0.033 1
1 198 . 17 1 1 X 24 24 GLN C C 17 178.313 178.127 0.186 1
1 199 . 17 1 1 X 24 24 GLN CA C 17 59.289 59.058 0.231 1
1 200 . 17 1 1 X 24 24 GLN CB C 17 27.814 28.104 -0.290 1
1 203 . 17 1 1 X 24 24 GLN N N 17 117.658 120.747 -3.089 1
1 205 . 17 1 1 X 25 25 LEU H H 18 7.512 7.680 -0.168 1
1 206 . 17 1 1 X 25 25 LEU HA H 18 4.136 4.019 0.117 1
1 216 . 17 1 1 X 25 25 LEU C C 18 178.440 178.107 0.333 1
1 217 . 17 1 1 X 25 25 LEU CA C 18 58.651 57.996 0.655 1
1 218 . 17 1 1 X 25 25 LEU CB C 18 40.626 41.173 -0.547 1
1 222 . 17 1 1 X 25 25 LEU N N 18 122.037 121.014 1.023 1
1 223 . 17 1 1 X 26 26 LEU H H 19 7.761 8.285 -0.524 1
1 224 . 17 1 1 X 26 26 LEU HA H 19 3.748 3.561 0.187 1
1 234 . 17 1 1 X 26 26 LEU C C 19 180.080 179.140 0.940 1
1 235 . 17 1 1 X 26 26 LEU CA C 19 58.041 57.978 0.063 1
1 236 . 17 1 1 X 26 26 LEU CB C 19 41.009 41.132 -0.123 1
1 240 . 17 1 1 X 26 26 LEU N N 19 118.502 118.412 0.090 1
1 241 . 17 1 1 X 27 27 LYS H H 20 8.357 8.330 0.027 1
1 242 . 17 1 1 X 27 27 LYS HA H 20 4.019 3.799 0.220 1
1 251 . 17 1 1 X 27 27 LYS C C 20 179.559 179.737 -0.178 1
1 252 . 17 1 1 X 27 27 LYS CA C 20 59.648 60.163 -0.515 1
1 253 . 17 1 1 X 27 27 LYS CB C 20 31.995 31.871 0.124 1
1 257 . 17 1 1 X 27 27 LYS N N 20 120.427 117.815 2.612 1
1 258 . 17 1 1 X 28 28 GLU H H 21 8.123 7.593 0.530 1
1 259 . 17 1 1 X 28 28 GLU HA H 21 4.082 4.024 0.058 1
1 264 . 17 1 1 X 28 28 GLU C C 21 179.063 179.339 -0.276 1
1 265 . 17 1 1 X 28 28 GLU CA C 21 59.406 59.099 0.307 1
1 266 . 17 1 1 X 28 28 GLU CB C 21 29.146 29.191 -0.045 1
1 268 . 17 1 1 X 28 28 GLU N N 21 122.374 119.659 2.715 1
1 269 . 17 1 1 X 29 29 ILE H H 22 8.049 7.854 0.195 1
1 270 . 17 1 1 X 29 29 ILE HA H 22 3.343 3.553 -0.210 1
1 280 . 17 1 1 X 29 29 ILE C C 22 177.151 177.690 -0.539 1
1 281 . 17 1 1 X 29 29 ILE CA C 22 66.435 65.089 1.346 1
1 282 . 17 1 1 X 29 29 ILE CB C 22 37.954 37.522 0.432 1
1 286 . 17 1 1 X 29 29 ILE N N 22 120.195 121.052 -0.857 1
1 287 . 17 1 1 X 30 30 GLU H H 23 7.820 8.201 -0.381 1
1 288 . 17 1 1 X 30 30 GLU HA H 23 3.983 3.854 0.129 1
1 293 . 17 1 1 X 30 30 GLU C C 23 178.990 179.357 -0.367 1
1 294 . 17 1 1 X 30 30 GLU CA C 23 59.460 59.568 -0.108 1
1 295 . 17 1 1 X 30 30 GLU CB C 23 30.012 29.000 1.012 1
1 297 . 17 1 1 X 30 30 GLU N N 23 118.917 118.889 0.028 1
1 298 . 17 1 1 X 31 31 LYS H H 24 7.678 7.920 -0.242 1
1 299 . 17 1 1 X 31 31 LYS HA H 24 4.059 3.964 0.095 1
1 308 . 17 1 1 X 31 31 LYS C C 24 179.231 178.670 0.561 1
1 309 . 17 1 1 X 31 31 LYS CA C 24 59.152 59.570 -0.418 1
1 310 . 17 1 1 X 31 31 LYS CB C 24 32.712 32.130 0.582 1
1 314 . 17 1 1 X 31 31 LYS N N 24 118.807 120.835 -2.028 1
1 315 . 17 1 1 X 32 32 GLU H H 25 8.182 7.898 0.284 1
1 316 . 17 1 1 X 32 32 GLU HA H 25 4.309 4.125 0.184 1
1 321 . 17 1 1 X 32 32 GLU C C 25 177.897 179.183 -1.286 1
1 322 . 17 1 1 X 32 32 GLU CA C 25 57.449 58.893 -1.444 1
1 323 . 17 1 1 X 32 32 GLU CB C 25 29.522 29.714 -0.192 1
1 325 . 17 1 1 X 32 32 GLU N N 25 118.578 117.702 0.876 1
1 326 . 17 1 1 X 33 33 ASN H H 26 8.343 8.485 -0.142 1
1 327 . 17 1 1 X 33 33 ASN HA H 26 4.608 4.402 0.206 1
1 330 . 17 1 1 X 33 33 ASN C C 26 176.524 177.311 -0.787 1
1 331 . 17 1 1 X 33 33 ASN CA C 26 55.463 56.624 -1.161 1
1 332 . 17 1 1 X 33 33 ASN CB C 26 39.074 39.325 -0.251 1
1 333 . 17 1 1 X 33 33 ASN N N 26 118.483 118.763 -0.280 1
1 334 . 17 1 1 X 34 34 VAL H H 27 7.434 7.572 -0.138 1
1 335 . 17 1 1 X 34 34 VAL HA H 27 4.182 4.089 0.093 1
1 343 . 17 1 1 X 34 34 VAL C C 27 176.315 176.652 -0.337 1
1 344 . 17 1 1 X 34 34 VAL CA C 27 62.829 63.784 -0.955 1
1 345 . 17 1 1 X 34 34 VAL CB C 27 32.178 31.031 1.147 1
1 348 . 17 1 1 X 34 34 VAL N N 27 114.036 116.120 -2.084 1
1 349 . 17 1 1 X 35 35 ALA H H 28 7.648 7.725 -0.077 1
1 350 . 17 1 1 X 35 35 ALA HA H 28 4.346 4.338 0.008 1
1 354 . 17 1 1 X 35 35 ALA C C 28 177.126 176.765 0.361 1
1 355 . 17 1 1 X 35 35 ALA CA C 28 52.712 51.975 0.737 1
1 356 . 17 1 1 X 35 35 ALA CB C 28 19.915 20.100 -0.185 1
1 357 . 17 1 1 X 35 35 ALA N N 28 124.066 123.791 0.275 1
1 358 . 17 1 1 X 36 36 ALA H H 29 8.337 8.166 0.171 1
1 359 . 17 1 1 X 36 36 ALA HA H 29 4.260 4.002 0.258 1
1 363 . 17 1 1 X 36 36 ALA C C 29 177.999 176.317 1.682 1
1 364 . 17 1 1 X 36 36 ALA CA C 29 53.660 52.873 0.787 1
1 365 . 17 1 1 X 36 36 ALA CB C 29 19.175 17.749 1.426 1
1 366 . 17 1 1 X 36 36 ALA N N 29 121.695 120.094 1.601 1
1 367 . 17 1 1 X 37 37 THR H H 30 8.093 7.585 0.508 1
1 368 . 17 1 1 X 37 37 THR HA H 30 4.533 4.782 -0.249 1
1 373 . 17 1 1 X 37 37 THR C C 30 174.715 173.929 0.786 1
1 374 . 17 1 1 X 37 37 THR CA C 30 60.860 60.453 0.407 1
1 375 . 17 1 1 X 37 37 THR CB C 30 70.424 69.966 0.458 1
1 377 . 17 1 1 X 37 37 THR N N 30 110.112 109.553 0.559 1
1 378 . 17 1 1 X 38 38 ASP H H 31 8.488 8.396 0.092 1
1 379 . 17 1 1 X 38 38 ASP HA H 31 4.685 4.776 -0.091 1
1 382 . 17 1 1 X 38 38 ASP C C 31 175.896 177.405 -1.509 1
1 383 . 17 1 1 X 38 38 ASP CA C 31 54.704 54.714 -0.010 1
1 384 . 17 1 1 X 38 38 ASP CB C 31 41.389 42.768 -1.379 1
1 385 . 17 1 1 X 38 38 ASP N N 31 121.899 120.086 1.813 1
1 386 . 17 1 1 X 39 39 ASP H H 32 8.368 8.119 0.249 1
1 387 . 17 1 1 X 39 39 ASP HA H 32 4.459 4.388 0.071 1
1 390 . 17 1 1 X 39 39 ASP C C 32 177.499 178.129 -0.630 1
1 391 . 17 1 1 X 39 39 ASP CA C 32 56.443 57.453 -1.010 1
1 392 . 17 1 1 X 39 39 ASP CB C 32 40.737 41.171 -0.434 1
1 393 . 17 1 1 X 39 39 ASP N N 32 118.770 120.034 -1.264 1
1 394 . 17 1 1 X 40 40 VAL H H 33 7.963 8.018 -0.055 1
1 395 . 17 1 1 X 40 40 VAL HA H 33 3.800 3.846 -0.046 1
1 403 . 17 1 1 X 40 40 VAL C C 33 177.362 177.366 -0.004 1
1 404 . 17 1 1 X 40 40 VAL CA C 33 64.970 64.786 0.184 1
1 405 . 17 1 1 X 40 40 VAL CB C 33 32.256 31.464 0.792 1
1 408 . 17 1 1 X 40 40 VAL N N 33 119.409 118.028 1.381 1
1 409 . 17 1 1 X 41 41 LEU H H 34 8.508 7.680 0.828 1
1 410 . 17 1 1 X 41 41 LEU HA H 34 3.857 3.898 -0.041 1
1 420 . 17 1 1 X 41 41 LEU C C 34 177.633 177.944 -0.311 1
1 421 . 17 1 1 X 41 41 LEU CA C 34 58.428 58.557 -0.129 1
1 422 . 17 1 1 X 41 41 LEU CB C 34 41.755 41.520 0.235 1
1 426 . 17 1 1 X 41 41 LEU N N 34 122.150 122.649 -0.499 1
1 427 . 17 1 1 X 42 42 ASP H H 35 8.236 8.054 0.182 1
1 428 . 17 1 1 X 42 42 ASP HA H 35 4.370 4.425 -0.055 1
1 431 . 17 1 1 X 42 42 ASP C C 35 179.155 178.838 0.317 1
1 432 . 17 1 1 X 42 42 ASP CA C 35 57.925 56.882 1.043 1
1 433 . 17 1 1 X 42 42 ASP CB C 35 40.417 40.757 -0.340 1
1 434 . 17 1 1 X 42 42 ASP N N 35 116.374 118.358 -1.984 1
1 435 . 17 1 1 X 43 43 VAL H H 36 7.320 7.804 -0.484 1
1 436 . 17 1 1 X 43 43 VAL HA H 36 3.782 3.630 0.152 1
1 444 . 17 1 1 X 43 43 VAL C C 36 179.309 178.168 1.141 1
1 445 . 17 1 1 X 43 43 VAL CA C 36 66.080 66.531 -0.451 1
1 446 . 17 1 1 X 43 43 VAL CB C 36 32.245 31.672 0.573 1
1 449 . 17 1 1 X 43 43 VAL N N 36 119.754 119.677 0.077 1
1 450 . 17 1 1 X 44 44 LEU H H 37 8.122 8.464 -0.342 1
1 451 . 17 1 1 X 44 44 LEU HA H 37 4.008 4.048 -0.040 1
1 461 . 17 1 1 X 44 44 LEU C C 37 179.518 179.330 0.188 1
1 462 . 17 1 1 X 44 44 LEU CA C 37 58.048 57.822 0.226 1
1 463 . 17 1 1 X 44 44 LEU CB C 37 42.374 41.708 0.666 1
1 467 . 17 1 1 X 44 44 LEU N N 37 120.608 118.848 1.760 1
1 468 . 17 1 1 X 45 45 LEU H H 38 8.898 8.316 0.582 1
1 469 . 17 1 1 X 45 45 LEU HA H 38 4.030 3.950 0.080 1
1 479 . 17 1 1 X 45 45 LEU C C 38 179.166 179.429 -0.263 1
1 480 . 17 1 1 X 45 45 LEU CA C 38 58.184 58.164 0.020 1
1 481 . 17 1 1 X 45 45 LEU CB C 38 41.506 41.349 0.157 1
1 485 . 17 1 1 X 45 45 LEU N N 38 119.199 118.668 0.531 1
1 486 . 17 1 1 X 46 46 GLU H H 39 7.964 8.081 -0.117 1
1 487 . 17 1 1 X 46 46 GLU HA H 39 4.066 4.033 0.033 1
1 492 . 17 1 1 X 46 46 GLU C C 39 178.995 178.943 0.052 1
1 493 . 17 1 1 X 46 46 GLU CA C 39 59.769 59.616 0.153 1
1 494 . 17 1 1 X 46 46 GLU CB C 39 29.577 29.408 0.169 1
1 496 . 17 1 1 X 46 46 GLU N N 39 119.334 118.445 0.889 1
1 497 . 17 1 1 X 47 47 HIS H H 40 8.009 8.501 -0.492 1
1 498 . 17 1 1 X 47 47 HIS HA H 40 4.416 4.374 0.042 1
1 503 . 17 1 1 X 47 47 HIS C C 40 176.115 176.985 -0.870 1
1 504 . 17 1 1 X 47 47 HIS CA C 40 60.151 58.821 1.330 1
1 505 . 17 1 1 X 47 47 HIS CB C 40 30.389 30.567 -0.178 1
1 508 . 17 1 1 X 47 47 HIS N N 40 119.610 119.961 -0.351 1
1 509 . 17 1 1 X 48 48 PHE H H 41 8.711 8.724 -0.013 1
1 510 . 17 1 1 X 48 48 PHE HA H 41 3.808 4.021 -0.213 1
1 518 . 17 1 1 X 48 48 PHE C C 41 178.023 177.409 0.614 1
1 519 . 17 1 1 X 48 48 PHE CA C 41 62.654 61.444 1.210 1
1 520 . 17 1 1 X 48 48 PHE CB C 41 39.408 39.346 0.062 1
1 526 . 17 1 1 X 48 48 PHE N N 41 118.110 120.046 -1.936 1
1 527 . 17 1 1 X 49 49 VAL H H 42 8.439 8.025 0.414 1
1 528 . 17 1 1 X 49 49 VAL HA H 42 3.359 3.835 -0.476 1
1 536 . 17 1 1 X 49 49 VAL C C 42 178.340 177.494 0.846 1
1 537 . 17 1 1 X 49 49 VAL CA C 42 67.276 64.443 2.833 1
1 538 . 17 1 1 X 49 49 VAL CB C 42 32.235 31.384 0.851 1
1 541 . 17 1 1 X 49 49 VAL N N 42 121.301 118.547 2.754 1
1 542 . 17 1 1 X 50 50 LYS H H 43 8.091 8.297 -0.206 1
1 543 . 17 1 1 X 50 50 LYS HA H 43 3.973 4.021 -0.048 1
1 552 . 17 1 1 X 50 50 LYS C C 43 178.985 178.326 0.659 1
1 553 . 17 1 1 X 50 50 LYS CA C 43 59.580 58.896 0.684 1
1 554 . 17 1 1 X 50 50 LYS CB C 43 32.784 31.771 1.013 1
1 558 . 17 1 1 X 50 50 LYS N N 43 120.887 119.923 0.964 1
1 559 . 17 1 1 X 51 51 ILE H H 44 8.347 7.505 0.842 1
1 560 . 17 1 1 X 51 51 ILE HA H 44 4.159 3.888 0.271 1
1 570 . 17 1 1 X 51 51 ILE C C 44 178.121 177.892 0.229 1
1 571 . 17 1 1 X 51 51 ILE CA C 44 62.328 64.439 -2.111 1
1 572 . 17 1 1 X 51 51 ILE CB C 44 37.576 37.304 0.272 1
1 576 . 17 1 1 X 51 51 ILE N N 44 111.354 116.820 -5.466 1
1 577 . 17 1 1 X 52 52 THR H H 45 7.588 7.619 -0.031 1
1 578 . 17 1 1 X 52 52 THR HA H 45 3.683 4.080 -0.397 1
1 583 . 17 1 1 X 52 52 THR C C 45 176.285 175.225 1.060 1
1 584 . 17 1 1 X 52 52 THR CA C 45 65.803 63.290 2.513 1
1 585 . 17 1 1 X 52 52 THR CB C 45 69.689 69.754 -0.065 1
1 587 . 17 1 1 X 52 52 THR N N 45 109.646 112.799 -3.153 1
1 588 . 17 1 1 X 53 53 GLU H H 46 7.366 7.947 -0.581 1
1 589 . 17 1 1 X 53 53 GLU HA H 46 3.836 3.900 -0.064 1
1 594 . 17 1 1 X 53 53 GLU C C 46 173.418 174.489 -1.071 1
1 595 . 17 1 1 X 53 53 GLU CA C 46 57.709 57.520 0.189 1
1 596 . 17 1 1 X 53 53 GLU CB C 46 29.067 27.253 1.814 1
1 598 . 17 1 1 X 53 53 GLU N N 46 112.606 114.304 -1.698 1
1 599 . 17 1 1 X 54 54 HIS H H 47 7.127 7.579 -0.452 1
1 600 . 17 1 1 X 54 54 HIS HA H 47 3.070 3.531 -0.461 1
1 605 . 17 1 1 X 54 54 HIS CA C 47 55.826 54.444 1.382 1
1 606 . 17 1 1 X 54 54 HIS CB C 47 32.124 30.615 1.509 1
1 609 . 17 1 1 X 54 54 HIS N N 47 119.651 119.427 0.224 1
1 610 . 17 1 1 X 55 55 PRO HA H 48 4.143 4.370 -0.227 1
1 617 . 17 1 1 X 55 55 PRO CA C 48 64.843 63.801 1.042 1
1 618 . 17 1 1 X 55 55 PRO CB C 48 32.350 31.996 0.354 1
1 621 . 17 1 1 X 56 56 ASP H H 49 10.605 8.121 2.484 1
1 622 . 17 1 1 X 56 56 ASP HA H 49 4.712 4.813 -0.101 1
1 625 . 17 1 1 X 56 56 ASP C C 49 178.187 177.560 0.627 1
1 626 . 17 1 1 X 56 56 ASP CA C 49 54.989 55.341 -0.352 1
1 627 . 17 1 1 X 56 56 ASP CB C 49 40.657 42.311 -1.654 1
1 628 . 17 1 1 X 56 56 ASP N N 49 121.022 117.466 3.556 1
1 629 . 17 1 1 X 57 57 GLY H H 50 8.011 7.922 0.089 1
1 630 . 17 1 1 X 57 57 GLY HA2 H 50 4.122 3.822 0.300 1
1 631 . 17 1 1 X 57 57 GLY HA3 H 50 3.701 3.853 -0.152 1
1 632 . 17 1 1 X 57 57 GLY C C 50 175.337 175.481 -0.144 1
1 633 . 17 1 1 X 57 57 GLY CA C 50 47.435 47.317 0.118 1
1 634 . 17 1 1 X 57 57 GLY N N 50 108.190 107.783 0.407 1
1 635 . 17 1 1 X 58 58 THR H H 51 9.047 8.765 0.282 1
1 636 . 17 1 1 X 58 58 THR HA H 51 3.730 4.018 -0.288 1
1 641 . 17 1 1 X 58 58 THR C C 51 176.082 176.289 -0.207 1
1 642 . 17 1 1 X 58 58 THR CA C 51 64.795 65.095 -0.300 1
1 643 . 17 1 1 X 58 58 THR CB C 51 68.398 68.791 -0.393 1
1 645 . 17 1 1 X 58 58 THR N N 51 114.996 117.444 -2.448 1
1 646 . 17 1 1 X 59 59 ALA H H 52 8.142 7.944 0.198 1
1 647 . 17 1 1 X 59 59 ALA HA H 52 4.205 4.266 -0.061 1
1 651 . 17 1 1 X 59 59 ALA C C 52 179.373 180.155 -0.782 1
1 652 . 17 1 1 X 59 59 ALA CA C 52 55.625 55.149 0.476 1
1 653 . 17 1 1 X 59 59 ALA CB C 52 18.416 18.438 -0.022 1
1 654 . 17 1 1 X 59 59 ALA N N 52 125.565 123.370 2.195 1
1 655 . 17 1 1 X 60 60 LEU H H 53 7.399 7.867 -0.468 1
1 656 . 17 1 1 X 60 60 LEU HA H 53 3.835 3.880 -0.045 1
1 666 . 17 1 1 X 60 60 LEU C C 53 178.601 179.147 -0.546 1
1 667 . 17 1 1 X 60 60 LEU CA C 53 58.031 57.974 0.057 1
1 668 . 17 1 1 X 60 60 LEU CB C 53 43.487 41.792 1.695 1
1 672 . 17 1 1 X 60 60 LEU N N 53 114.763 118.616 -3.853 1
1 673 . 17 1 1 X 61 61 ILE H H 54 6.855 7.623 -0.768 1
1 674 . 17 1 1 X 61 61 ILE HA H 54 3.518 3.401 0.117 1
1 684 . 17 1 1 X 61 61 ILE C C 54 178.595 177.613 0.982 1
1 685 . 17 1 1 X 61 61 ILE CA C 54 62.989 64.917 -1.928 1
1 686 . 17 1 1 X 61 61 ILE CB C 54 38.424 37.295 1.129 1
1 690 . 17 1 1 X 61 61 ILE N N 54 114.394 119.736 -5.342 1
1 691 . 17 1 1 X 62 62 TYR H H 55 7.489 7.694 -0.205 1
1 692 . 17 1 1 X 62 62 TYR HA H 55 4.243 4.274 -0.031 1
1 699 . 17 1 1 X 62 62 TYR C C 55 178.634 178.854 -0.220 1
1 700 . 17 1 1 X 62 62 TYR CA C 55 61.518 60.410 1.108 1
1 701 . 17 1 1 X 62 62 TYR CB C 55 37.566 38.102 -0.536 1
1 706 . 17 1 1 X 62 62 TYR N N 55 117.898 119.577 -1.679 1
1 707 . 17 1 1 X 63 63 GLU H H 56 8.659 8.834 -0.175 1
1 708 . 17 1 1 X 63 63 GLU HA H 56 4.441 4.130 0.311 1
1 713 . 17 1 1 X 63 63 GLU C C 56 177.785 178.936 -1.151 1
1 714 . 17 1 1 X 63 63 GLU CA C 56 57.658 59.368 -1.710 1
1 715 . 17 1 1 X 63 63 GLU CB C 56 29.034 29.116 -0.082 1
1 717 . 17 1 1 X 63 63 GLU N N 56 119.392 117.871 1.521 1
1 718 . 17 1 1 X 64 64 ALA H H 57 7.164 8.247 -1.083 1
1 719 . 17 1 1 X 64 64 ALA HA H 57 4.021 4.113 -0.092 1
1 723 . 17 1 1 X 64 64 ALA C C 57 180.327 180.023 0.304 1
1 724 . 17 1 1 X 64 64 ALA CA C 57 55.759 54.919 0.840 1
1 725 . 17 1 1 X 64 64 ALA CB C 57 18.615 18.109 0.506 1
1 726 . 17 1 1 X 64 64 ALA N N 57 121.778 122.344 -0.566 1
1 727 . 17 1 1 X 65 65 ALA H H 58 8.076 8.399 -0.323 1
1 728 . 17 1 1 X 65 65 ALA HA H 58 4.137 3.949 0.188 1
1 732 . 17 1 1 X 65 65 ALA C C 58 180.248 179.758 0.490 1
1 733 . 17 1 1 X 65 65 ALA CA C 58 55.104 54.990 0.114 1
1 734 . 17 1 1 X 65 65 ALA CB C 58 18.071 18.238 -0.167 1
1 735 . 17 1 1 X 65 65 ALA N N 58 120.307 120.024 0.283 1
1 736 . 17 1 1 X 66 66 ALA H H 59 7.893 7.345 0.548 1
1 737 . 17 1 1 X 66 66 ALA HA H 59 4.170 4.052 0.118 1
1 741 . 17 1 1 X 66 66 ALA C C 59 180.838 179.445 1.393 1
1 742 . 17 1 1 X 66 66 ALA CA C 59 54.800 55.089 -0.289 1
1 743 . 17 1 1 X 66 66 ALA CB C 59 18.184 18.072 0.112 1
1 744 . 17 1 1 X 66 66 ALA N N 59 122.126 120.749 1.377 1
1 745 . 17 1 1 X 67 67 ARG H H 60 8.139 8.626 -0.487 1
1 746 . 17 1 1 X 67 67 ARG HA H 60 4.065 4.031 0.034 1
1 753 . 17 1 1 X 67 67 ARG C C 60 178.779 179.003 -0.224 1
1 754 . 17 1 1 X 67 67 ARG CA C 60 59.282 59.466 -0.184 1
1 755 . 17 1 1 X 67 67 ARG CB C 60 30.863 29.858 1.005 1
1 758 . 17 1 1 X 67 67 ARG N N 60 118.948 117.866 1.082 1
1 759 . 17 1 1 X 68 68 ALA H H 61 7.891 8.188 -0.297 1
1 760 . 17 1 1 X 68 68 ALA HA H 61 4.141 4.142 -0.001 1
1 764 . 17 1 1 X 68 68 ALA C C 61 179.329 179.963 -0.634 1
1 765 . 17 1 1 X 68 68 ALA CA C 61 54.340 54.939 -0.599 1
1 766 . 17 1 1 X 68 68 ALA CB C 61 18.528 18.216 0.312 1
1 767 . 17 1 1 X 68 68 ALA N N 61 121.473 122.443 -0.970 1
1 768 . 17 1 1 X 69 69 ALA H H 62 7.663 7.791 -0.128 1
1 769 . 17 1 1 X 69 69 ALA HA H 62 4.133 4.127 0.006 1
1 773 . 17 1 1 X 69 69 ALA C C 62 178.591 178.104 0.487 1
1 774 . 17 1 1 X 69 69 ALA CA C 62 53.863 54.993 -1.130 1
1 775 . 17 1 1 X 69 69 ALA CB C 62 18.438 18.832 -0.394 1
1 776 . 17 1 1 X 69 69 ALA N N 62 118.937 119.379 -0.442 1
1 777 . 17 1 1 X 70 70 ALA H H 63 7.488 8.109 -0.621 1
1 778 . 17 1 1 X 70 70 ALA HA H 63 4.280 4.428 -0.148 1
1 782 . 17 1 1 X 70 70 ALA C C 63 177.318 176.388 0.930 1
1 783 . 17 1 1 X 70 70 ALA CA C 63 52.981 51.191 1.790 1
1 784 . 17 1 1 X 70 70 ALA CB C 63 19.324 18.025 1.299 1
1 785 . 17 1 1 X 70 70 ALA N N 63 118.642 118.131 0.511 1
1 786 . 17 1 1 X 71 71 ASN H H 64 7.631 8.245 -0.614 1
1 787 . 17 1 1 X 71 71 ASN HA H 64 5.077 5.205 -0.128 1
1 792 . 17 1 1 X 71 71 ASN CA C 64 50.877 51.376 -0.499 1
1 793 . 17 1 1 X 71 71 ASN CB C 64 39.243 38.450 0.793 1
1 795 . 17 1 1 X 71 71 ASN N N 64 116.008 119.204 -3.196 1
1 797 . 17 1 1 X 72 72 PRO HA H 65 4.468 4.389 0.079 1
1 804 . 17 1 1 X 72 72 PRO CA C 65 64.454 65.564 -1.110 1
1 805 . 17 1 1 X 72 72 PRO CB C 65 32.007 31.795 0.212 1
1 808 . 17 1 1 X 73 73 GLY H H 66 8.608 7.869 0.739 1
1 809 . 17 1 1 X 73 73 GLY HA2 H 66 3.978 4.146 -0.168 1
1 810 . 17 1 1 X 73 73 GLY HA3 H 66 3.978 4.149 -0.171 1
1 811 . 17 1 1 X 73 73 GLY C C 66 175.054 174.234 0.820 1
1 812 . 17 1 1 X 73 73 GLY CA C 66 45.521 45.199 0.322 1
1 813 . 17 1 1 X 73 73 GLY N N 66 109.435 104.040 5.395 1
1 814 . 17 1 1 X 74 74 GLY H H 67 8.085 8.833 -0.748 1
1 815 . 17 1 1 X 74 74 GLY HA2 H 67 4.132 3.912 0.220 1
1 816 . 17 1 1 X 74 74 GLY HA3 H 67 3.896 3.914 -0.018 1
1 817 . 17 1 1 X 74 74 GLY C C 67 174.008 174.680 -0.672 1
1 818 . 17 1 1 X 74 74 GLY CA C 67 45.450 46.859 -1.409 1
1 819 . 17 1 1 X 74 74 GLY N N 67 108.472 109.998 -1.526 1
1 820 . 17 1 1 X 75 75 ASP H H 68 8.307 8.203 0.104 1
1 821 . 17 1 1 X 75 75 ASP HA H 68 4.646 4.887 -0.241 1
1 824 . 17 1 1 X 75 75 ASP C C 68 176.933 176.612 0.321 1
1 825 . 17 1 1 X 75 75 ASP CA C 68 54.226 54.126 0.100 1
1 826 . 17 1 1 X 75 75 ASP CB C 68 41.486 43.156 -1.670 1
1 827 . 17 1 1 X 75 75 ASP N N 68 119.941 119.556 0.385 1
1 828 . 17 1 1 X 76 76 GLY H H 69 8.502 7.501 1.001 1
1 829 . 17 1 1 X 76 76 GLY HA2 H 69 3.966 4.076 -0.110 1
1 830 . 17 1 1 X 76 76 GLY HA3 H 69 3.951 4.078 -0.127 1
1 831 . 17 1 1 X 76 76 GLY C C 69 174.771 174.779 -0.008 1
1 832 . 17 1 1 X 76 76 GLY CA C 69 45.744 44.586 1.158 1
1 833 . 17 1 1 X 76 76 GLY N N 69 109.061 108.465 0.596 1
1 834 . 17 1 1 X 77 77 GLY H H 70 8.367 8.243 0.124 1
1 835 . 17 1 1 X 77 77 GLY HA2 H 70 4.092 4.008 0.084 1
1 836 . 17 1 1 X 77 77 GLY HA3 H 70 3.920 4.009 -0.089 1
1 837 . 17 1 1 X 77 77 GLY C C 70 174.782 174.434 0.348 1
1 838 . 17 1 1 X 77 77 GLY CA C 70 45.327 45.298 0.029 1
1 839 . 17 1 1 X 77 77 GLY N N 70 108.393 107.747 0.646 1
1 840 . 17 1 1 X 78 78 GLY H H 71 8.263 8.514 -0.251 1
1 841 . 17 1 1 X 78 78 GLY HA2 H 71 4.205 3.997 0.208 1
1 842 . 17 1 1 X 78 78 GLY HA3 H 71 4.092 4.000 0.092 1
1 843 . 17 1 1 X 78 78 GLY CA C 71 45.581 44.883 0.698 1
1 844 . 17 1 1 X 78 78 GLY N N 71 108.388 107.726 0.662 1
1 845 . 17 1 1 X 79 79 PRO HA H 72 4.199 4.310 -0.111 1
1 852 . 17 1 1 X 79 79 PRO C C 72 178.000 177.611 0.389 1
1 853 . 17 1 1 X 79 79 PRO CA C 72 65.568 64.781 0.787 1
1 854 . 17 1 1 X 79 79 PRO CB C 72 32.864 31.773 1.091 1
1 857 . 17 1 1 X 80 80 GLU H H 73 9.283 8.434 0.849 1
1 858 . 17 1 1 X 80 80 GLU HA H 73 3.833 4.152 -0.319 1
1 863 . 17 1 1 X 80 80 GLU C C 73 179.587 178.217 1.370 1
1 864 . 17 1 1 X 80 80 GLU CA C 73 61.125 58.367 2.758 1
1 865 . 17 1 1 X 80 80 GLU CB C 73 28.576 29.330 -0.754 1
1 867 . 17 1 1 X 80 80 GLU N N 73 117.078 116.665 0.413 1
1 868 . 17 1 1 X 81 81 GLY H H 74 7.926 7.926 0.000 1
1 869 . 17 1 1 X 81 81 GLY HA2 H 74 3.964 3.876 0.088 1
1 870 . 17 1 1 X 81 81 GLY HA3 H 74 3.914 3.894 0.020 1
1 871 . 17 1 1 X 81 81 GLY C C 74 176.538 175.764 0.774 1
1 872 . 17 1 1 X 81 81 GLY CA C 74 47.084 46.250 0.834 1
1 873 . 17 1 1 X 81 81 GLY N N 74 108.577 109.004 -0.427 1
1 874 . 17 1 1 X 82 82 ILE H H 75 7.593 7.457 0.136 1
1 875 . 17 1 1 X 82 82 ILE HA H 75 3.873 3.775 0.098 1
1 885 . 17 1 1 X 82 82 ILE C C 75 178.147 178.426 -0.279 1
1 886 . 17 1 1 X 82 82 ILE CA C 75 65.342 64.526 0.816 1
1 887 . 17 1 1 X 82 82 ILE CB C 75 38.163 37.716 0.447 1
1 891 . 17 1 1 X 82 82 ILE N N 75 123.572 122.108 1.464 1
1 892 . 17 1 1 X 83 83 VAL H H 76 8.135 7.928 0.207 1
1 893 . 17 1 1 X 83 83 VAL HA H 76 3.575 4.238 -0.663 1
1 901 . 17 1 1 X 83 83 VAL C C 76 177.094 177.939 -0.845 1
1 902 . 17 1 1 X 83 83 VAL CA C 76 68.153 65.809 2.344 1
1 903 . 17 1 1 X 83 83 VAL CB C 76 31.653 31.485 0.168 1
1 906 . 17 1 1 X 83 83 VAL N N 76 118.553 120.151 -1.598 1
1 907 . 17 1 1 X 84 84 LYS H H 77 7.803 8.172 -0.369 1
1 908 . 17 1 1 X 84 84 LYS HA H 77 4.006 4.120 -0.114 1
1 917 . 17 1 1 X 84 84 LYS C C 77 178.064 178.758 -0.694 1
1 918 . 17 1 1 X 84 84 LYS CA C 77 60.516 59.370 1.146 1
1 919 . 17 1 1 X 84 84 LYS CB C 77 32.849 32.589 0.260 1
1 923 . 17 1 1 X 84 84 LYS N N 77 119.572 121.276 -1.704 1
1 924 . 17 1 1 X 85 85 GLU H H 78 7.629 8.540 -0.911 1
1 925 . 17 1 1 X 85 85 GLU HA H 78 4.246 4.160 0.086 1
1 930 . 17 1 1 X 85 85 GLU C C 78 179.834 179.572 0.262 1
1 931 . 17 1 1 X 85 85 GLU CA C 78 59.752 59.290 0.462 1
1 932 . 17 1 1 X 85 85 GLU CB C 78 29.189 29.819 -0.630 1
1 934 . 17 1 1 X 85 85 GLU N N 78 118.366 119.002 -0.636 1
1 935 . 17 1 1 X 86 86 ILE H H 79 8.432 8.373 0.059 1
1 936 . 17 1 1 X 86 86 ILE HA H 79 3.781 3.754 0.027 1
1 946 . 17 1 1 X 86 86 ILE C C 79 177.578 178.108 -0.530 1
1 947 . 17 1 1 X 86 86 ILE CA C 79 65.454 65.367 0.087 1
1 948 . 17 1 1 X 86 86 ILE CB C 79 37.940 37.652 0.288 1
1 952 . 17 1 1 X 86 86 ILE N N 79 118.975 121.065 -2.090 1
1 953 . 17 1 1 X 87 87 LYS H H 80 9.096 8.728 0.368 1
1 954 . 17 1 1 X 87 87 LYS HA H 80 3.958 3.860 0.098 1
1 963 . 17 1 1 X 87 87 LYS C C 80 180.285 178.573 1.712 1
1 964 . 17 1 1 X 87 87 LYS CA C 80 60.290 59.165 1.125 1
1 965 . 17 1 1 X 87 87 LYS CB C 80 33.299 32.273 1.026 1
1 969 . 17 1 1 X 87 87 LYS N N 80 119.805 120.599 -0.794 1
1 970 . 17 1 1 X 88 88 GLU H H 81 8.508 7.872 0.636 1
1 971 . 17 1 1 X 88 88 GLU HA H 81 4.099 4.078 0.021 1
1 976 . 17 1 1 X 88 88 GLU C C 81 179.195 178.971 0.224 1
1 977 . 17 1 1 X 88 88 GLU CA C 81 59.632 59.014 0.618 1
1 978 . 17 1 1 X 88 88 GLU CB C 81 29.649 29.537 0.112 1
1 980 . 17 1 1 X 88 88 GLU N N 81 118.920 119.264 -0.344 1
1 981 . 17 1 1 X 89 89 TRP H H 82 8.682 8.505 0.177 1
1 982 . 17 1 1 X 89 89 TRP HA H 82 4.201 4.266 -0.065 1
1 991 . 17 1 1 X 89 89 TRP C C 82 179.807 177.852 1.955 1
1 992 . 17 1 1 X 89 89 TRP CA C 82 63.110 61.056 2.054 1
1 993 . 17 1 1 X 89 89 TRP CB C 82 29.285 29.490 -0.205 1
1 999 . 17 1 1 X 89 89 TRP N N 82 122.152 122.259 -0.107 1
1 1001 . 17 1 1 X 90 90 ARG H H 83 9.025 8.661 0.364 1
1 1002 . 17 1 1 X 90 90 ARG HA H 83 3.295 3.926 -0.631 1
1 1009 . 17 1 1 X 90 90 ARG C C 83 178.120 177.932 0.188 1
1 1010 . 17 1 1 X 90 90 ARG CA C 83 60.895 59.705 1.190 1
1 1011 . 17 1 1 X 90 90 ARG CB C 83 28.668 29.653 -0.985 1
1 1014 . 17 1 1 X 90 90 ARG N N 83 118.380 119.275 -0.895 1
1 1015 . 17 1 1 X 91 91 ALA H H 84 7.759 7.705 0.054 1
1 1016 . 17 1 1 X 91 91 ALA HA H 84 4.151 4.068 0.083 1
1 1020 . 17 1 1 X 91 91 ALA C C 84 181.466 180.021 1.445 1
1 1021 . 17 1 1 X 91 91 ALA CA C 84 55.217 54.873 0.344 1
1 1022 . 17 1 1 X 91 91 ALA CB C 84 18.175 18.038 0.137 1
1 1023 . 17 1 1 X 91 91 ALA N N 84 120.210 120.515 -0.305 1
1 1024 . 17 1 1 X 92 92 ALA H H 85 7.943 8.029 -0.086 1
1 1025 . 17 1 1 X 92 92 ALA HA H 85 4.081 3.988 0.093 1
1 1029 . 17 1 1 X 92 92 ALA C C 85 178.324 179.556 -1.232 1
1 1030 . 17 1 1 X 92 92 ALA CA C 85 54.244 55.099 -0.855 1
1 1031 . 17 1 1 X 92 92 ALA CB C 85 18.306 17.654 0.652 1
1 1032 . 17 1 1 X 92 92 ALA N N 85 120.470 120.743 -0.273 1
1 1033 . 17 1 1 X 93 93 ASN H H 86 7.005 7.736 -0.731 1
1 1034 . 17 1 1 X 93 93 ASN HA H 86 4.475 4.422 0.053 1
1 1039 . 17 1 1 X 93 93 ASN C C 86 174.108 175.308 -1.200 1
1 1040 . 17 1 1 X 93 93 ASN CA C 86 53.347 53.514 -0.167 1
1 1041 . 17 1 1 X 93 93 ASN CB C 86 39.379 38.555 0.824 1
1 1043 . 17 1 1 X 93 93 ASN N N 86 113.372 113.789 -0.417 1
1 1045 . 17 1 1 X 94 94 GLY H H 87 7.535 8.004 -0.469 1
1 1046 . 17 1 1 X 94 94 GLY HA2 H 87 3.810 3.940 -0.130 1
1 1047 . 17 1 1 X 94 94 GLY HA3 H 87 3.810 3.945 -0.135 1
1 1048 . 17 1 1 X 94 94 GLY C C 87 174.481 174.027 0.454 1
1 1049 . 17 1 1 X 94 94 GLY CA C 87 47.230 45.267 1.963 1
1 1050 . 17 1 1 X 94 94 GLY N N 87 108.152 106.738 1.414 1
1 1051 . 17 1 1 X 95 95 LYS H H 88 8.037 8.130 -0.093 1
1 1052 . 17 1 1 X 95 95 LYS HA H 88 4.654 4.699 -0.045 1
1 1061 . 17 1 1 X 95 95 LYS CA C 88 53.357 53.085 0.272 1
1 1062 . 17 1 1 X 95 95 LYS CB C 88 32.741 32.978 -0.237 1
1 1066 . 17 1 1 X 95 95 LYS N N 88 119.147 120.055 -0.908 1
1 1067 . 17 1 1 X 96 96 PRO HA H 89 4.275 4.467 -0.192 1
1 1074 . 17 1 1 X 96 96 PRO C C 89 176.696 176.413 0.283 1
1 1075 . 17 1 1 X 96 96 PRO CA C 89 63.482 63.099 0.383 1
1 1076 . 17 1 1 X 96 96 PRO CB C 89 32.981 32.098 0.883 1
1 1079 . 17 1 1 X 97 97 GLY H H 90 8.336 8.333 0.003 1
1 1080 . 17 1 1 X 97 97 GLY HA2 H 90 4.074 3.782 0.292 1
1 1081 . 17 1 1 X 97 97 GLY HA3 H 90 3.615 3.829 -0.214 1
1 1082 . 17 1 1 X 97 97 GLY C C 90 173.388 173.349 0.039 1
1 1083 . 17 1 1 X 97 97 GLY CA C 90 43.347 44.278 -0.931 1
1 1084 . 17 1 1 X 97 97 GLY N N 90 110.343 107.811 2.532 1
1 1085 . 17 1 1 X 98 98 PHE H H 91 7.749 8.089 -0.340 1
1 1086 . 17 1 1 X 98 98 PHE HA H 91 4.527 4.886 -0.359 1
1 1094 . 17 1 1 X 98 98 PHE C C 91 177.021 175.986 1.035 1
1 1095 . 17 1 1 X 98 98 PHE CA C 91 59.184 58.231 0.953 1
1 1096 . 17 1 1 X 98 98 PHE CB C 91 40.005 39.668 0.337 1
1 1102 . 17 1 1 X 98 98 PHE N N 91 116.151 120.996 -4.845 1
1 1103 . 17 1 1 X 99 99 LYS H H 92 8.531 9.406 -0.875 1
1 1104 . 17 1 1 X 99 99 LYS HA H 92 4.178 4.517 -0.339 1
1 1113 . 17 1 1 X 99 99 LYS C C 92 176.542 176.332 0.210 1
1 1114 . 17 1 1 X 99 99 LYS CA C 92 57.292 55.808 1.484 1
1 1115 . 17 1 1 X 99 99 LYS CB C 92 32.875 34.286 -1.411 1
1 1119 . 17 1 1 X 99 99 LYS N N 92 123.602 123.522 0.080 1
1 1120 . 17 1 1 X 100 100 GLN H H 93 8.633 8.531 0.102 1
1 1121 . 17 1 1 X 100 100 GLN HA H 93 4.297 4.714 -0.417 1
1 1128 . 17 1 1 X 100 100 GLN C C 93 175.318 175.854 -0.536 1
1 1129 . 17 1 1 X 100 100 GLN CA C 93 56.479 54.842 1.637 1
1 1130 . 17 1 1 X 100 100 GLN CB C 93 29.751 29.555 0.196 1
1 1133 . 17 1 1 X 100 100 GLN N N 93 125.089 120.989 4.100 1
1 12 . 18 1 1 X 10 10 LEU H H 3 8.121 8.625 -0.504 1
1 13 . 18 1 1 X 10 10 LEU HA H 3 4.240 5.058 -0.818 1
1 23 . 18 1 1 X 10 10 LEU C C 3 176.909 176.238 0.671 1
1 24 . 18 1 1 X 10 10 LEU CA C 3 54.748 53.701 1.047 1
1 25 . 18 1 1 X 10 10 LEU CB C 3 41.272 43.254 -1.982 1
1 29 . 18 1 1 X 10 10 LEU N N 3 123.688 123.171 0.517 1
1 30 . 18 1 1 X 11 11 LYS H H 4 7.677 8.767 -1.090 1
1 31 . 18 1 1 X 11 11 LYS HA H 4 4.404 4.606 -0.202 1
1 40 . 18 1 1 X 11 11 LYS C C 4 176.184 176.897 -0.713 1
1 41 . 18 1 1 X 11 11 LYS CA C 4 55.828 54.556 1.272 1
1 42 . 18 1 1 X 11 11 LYS CB C 4 33.482 33.989 -0.507 1
1 46 . 18 1 1 X 11 11 LYS N N 4 122.221 122.642 -0.421 1
1 47 . 18 1 1 X 12 12 ASN H H 5 8.538 8.710 -0.172 1
1 48 . 18 1 1 X 12 12 ASN HA H 5 4.685 5.078 -0.393 1
1 53 . 18 1 1 X 12 12 ASN C C 5 174.925 175.279 -0.354 1
1 54 . 18 1 1 X 12 12 ASN CA C 5 55.721 53.993 1.728 1
1 55 . 18 1 1 X 12 12 ASN CB C 5 40.409 41.262 -0.853 1
1 57 . 18 1 1 X 12 12 ASN N N 5 116.610 118.053 -1.443 1
1 59 . 18 1 1 X 13 13 SER H H 6 8.144 7.756 0.388 1
1 60 . 18 1 1 X 13 13 SER HA H 6 4.819 4.865 -0.046 1
1 63 . 18 1 1 X 13 13 SER C C 6 175.123 175.156 -0.033 1
1 64 . 18 1 1 X 13 13 SER CA C 6 56.778 55.819 0.959 1
1 65 . 18 1 1 X 13 13 SER CB C 6 65.949 67.006 -1.057 1
1 66 . 18 1 1 X 13 13 SER N N 6 112.138 110.812 1.326 1
1 67 . 18 1 1 X 14 14 ILE H H 7 9.318 8.856 0.462 1
1 68 . 18 1 1 X 14 14 ILE HA H 7 3.966 4.298 -0.332 1
1 78 . 18 1 1 X 14 14 ILE C C 7 175.537 178.093 -2.556 1
1 79 . 18 1 1 X 14 14 ILE CA C 7 64.956 63.695 1.261 1
1 80 . 18 1 1 X 14 14 ILE CB C 7 37.062 37.989 -0.927 1
1 84 . 18 1 1 X 14 14 ILE N N 7 126.034 124.463 1.571 1
1 85 . 18 1 1 X 15 15 SER H H 8 7.504 8.305 -0.801 1
1 86 . 18 1 1 X 15 15 SER HA H 8 4.694 4.379 0.315 1
1 89 . 18 1 1 X 15 15 SER C C 8 174.278 174.841 -0.563 1
1 90 . 18 1 1 X 15 15 SER CA C 8 59.481 61.442 -1.961 1
1 91 . 18 1 1 X 15 15 SER CB C 8 63.241 63.330 -0.089 1
1 92 . 18 1 1 X 15 15 SER N N 8 112.517 117.821 -5.304 1
1 93 . 18 1 1 X 16 16 ASP H H 9 7.783 7.669 0.114 1
1 94 . 18 1 1 X 16 16 ASP HA H 9 4.791 4.737 0.054 1
1 97 . 18 1 1 X 16 16 ASP C C 9 175.976 175.875 0.101 1
1 98 . 18 1 1 X 16 16 ASP CA C 9 55.243 53.382 1.861 1
1 99 . 18 1 1 X 16 16 ASP CB C 9 43.327 41.092 2.235 1
1 100 . 18 1 1 X 16 16 ASP N N 9 117.795 119.168 -1.373 1
1 101 . 18 1 1 X 17 17 TYR H H 10 8.279 7.746 0.533 1
1 102 . 18 1 1 X 17 17 TYR HA H 10 4.962 5.004 -0.042 1
1 109 . 18 1 1 X 17 17 TYR C C 10 177.535 176.031 1.504 1
1 110 . 18 1 1 X 17 17 TYR CA C 10 58.573 57.522 1.051 1
1 111 . 18 1 1 X 17 17 TYR CB C 10 41.015 40.319 0.696 1
1 116 . 18 1 1 X 17 17 TYR N N 10 120.484 119.203 1.281 1
1 117 . 18 1 1 X 18 18 THR H H 11 8.796 8.882 -0.086 1
1 118 . 18 1 1 X 18 18 THR HA H 11 5.040 4.839 0.201 1
1 123 . 18 1 1 X 18 18 THR C C 11 176.099 175.750 0.349 1
1 124 . 18 1 1 X 18 18 THR CA C 11 60.775 60.395 0.380 1
1 125 . 18 1 1 X 18 18 THR CB C 11 71.041 71.624 -0.583 1
1 127 . 18 1 1 X 18 18 THR N N 11 112.143 116.034 -3.891 1
1 128 . 18 1 1 X 19 19 GLU H H 12 9.173 8.943 0.230 1
1 129 . 18 1 1 X 19 19 GLU HA H 12 2.757 3.008 -0.251 1
1 134 . 18 1 1 X 19 19 GLU C C 12 178.378 178.338 0.040 1
1 135 . 18 1 1 X 19 19 GLU CA C 12 60.906 58.858 2.048 1
1 136 . 18 1 1 X 19 19 GLU CB C 12 29.442 28.941 0.501 1
1 138 . 18 1 1 X 19 19 GLU N N 12 122.386 120.161 2.225 1
1 139 . 18 1 1 X 20 20 ALA H H 13 8.356 8.173 0.183 1
1 140 . 18 1 1 X 20 20 ALA HA H 13 4.069 4.147 -0.078 1
1 144 . 18 1 1 X 20 20 ALA C C 13 181.816 179.861 1.955 1
1 145 . 18 1 1 X 20 20 ALA CA C 13 55.388 54.884 0.504 1
1 146 . 18 1 1 X 20 20 ALA CB C 13 18.308 18.470 -0.162 1
1 147 . 18 1 1 X 20 20 ALA N N 13 118.695 121.898 -3.203 1
1 148 . 18 1 1 X 21 21 GLU H H 14 8.013 7.861 0.152 1
1 149 . 18 1 1 X 21 21 GLU HA H 14 4.131 4.132 -0.001 1
1 154 . 18 1 1 X 21 21 GLU C C 14 179.649 179.106 0.543 1
1 155 . 18 1 1 X 21 21 GLU CA C 14 58.916 58.610 0.306 1
1 156 . 18 1 1 X 21 21 GLU CB C 14 31.632 29.523 2.109 1
1 158 . 18 1 1 X 21 21 GLU N N 14 118.978 119.620 -0.642 1
1 159 . 18 1 1 X 22 22 PHE H H 15 8.635 8.369 0.266 1
1 160 . 18 1 1 X 22 22 PHE HA H 15 4.049 4.159 -0.110 1
1 167 . 18 1 1 X 22 22 PHE C C 15 177.402 177.621 -0.219 1
1 168 . 18 1 1 X 22 22 PHE CA C 15 62.183 61.154 1.029 1
1 169 . 18 1 1 X 22 22 PHE CB C 15 40.545 38.929 1.616 1
1 174 . 18 1 1 X 22 22 PHE N N 15 124.639 122.836 1.803 1
1 175 . 18 1 1 X 23 23 VAL H H 16 8.647 8.399 0.248 1
1 176 . 18 1 1 X 23 23 VAL HA H 16 3.416 3.742 -0.326 1
1 184 . 18 1 1 X 23 23 VAL C C 16 177.798 177.691 0.107 1
1 185 . 18 1 1 X 23 23 VAL CA C 16 67.917 66.740 1.177 1
1 186 . 18 1 1 X 23 23 VAL CB C 16 31.579 30.874 0.705 1
1 189 . 18 1 1 X 23 23 VAL N N 16 119.817 118.610 1.207 1
1 190 . 18 1 1 X 24 24 GLN H H 17 7.569 8.216 -0.647 1
1 191 . 18 1 1 X 24 24 GLN HA H 17 3.943 3.972 -0.029 1
1 198 . 18 1 1 X 24 24 GLN C C 17 178.313 178.129 0.184 1
1 199 . 18 1 1 X 24 24 GLN CA C 17 59.289 59.090 0.199 1
1 200 . 18 1 1 X 24 24 GLN CB C 17 27.814 28.107 -0.293 1
1 203 . 18 1 1 X 24 24 GLN N N 17 117.658 121.059 -3.401 1
1 205 . 18 1 1 X 25 25 LEU H H 18 7.512 7.621 -0.109 1
1 206 . 18 1 1 X 25 25 LEU HA H 18 4.136 3.982 0.154 1
1 216 . 18 1 1 X 25 25 LEU C C 18 178.440 178.141 0.299 1
1 217 . 18 1 1 X 25 25 LEU CA C 18 58.651 58.115 0.536 1
1 218 . 18 1 1 X 25 25 LEU CB C 18 40.626 41.344 -0.718 1
1 222 . 18 1 1 X 25 25 LEU N N 18 122.037 121.096 0.941 1
1 223 . 18 1 1 X 26 26 LEU H H 19 7.761 8.056 -0.295 1
1 224 . 18 1 1 X 26 26 LEU HA H 19 3.748 3.610 0.138 1
1 234 . 18 1 1 X 26 26 LEU C C 19 180.080 179.226 0.854 1
1 235 . 18 1 1 X 26 26 LEU CA C 19 58.041 57.406 0.635 1
1 236 . 18 1 1 X 26 26 LEU CB C 19 41.009 41.064 -0.055 1
1 240 . 18 1 1 X 26 26 LEU N N 19 118.502 117.800 0.702 1
1 241 . 18 1 1 X 27 27 LYS H H 20 8.357 8.530 -0.173 1
1 242 . 18 1 1 X 27 27 LYS HA H 20 4.019 3.952 0.067 1
1 251 . 18 1 1 X 27 27 LYS C C 20 179.559 179.723 -0.164 1
1 252 . 18 1 1 X 27 27 LYS CA C 20 59.648 59.962 -0.314 1
1 253 . 18 1 1 X 27 27 LYS CB C 20 31.995 31.946 0.049 1
1 257 . 18 1 1 X 27 27 LYS N N 20 120.427 118.282 2.145 1
1 258 . 18 1 1 X 28 28 GLU H H 21 8.123 7.859 0.264 1
1 259 . 18 1 1 X 28 28 GLU HA H 21 4.082 4.020 0.062 1
1 264 . 18 1 1 X 28 28 GLU C C 21 179.063 179.274 -0.211 1
1 265 . 18 1 1 X 28 28 GLU CA C 21 59.406 59.199 0.207 1
1 266 . 18 1 1 X 28 28 GLU CB C 21 29.146 29.385 -0.239 1
1 268 . 18 1 1 X 28 28 GLU N N 21 122.374 119.976 2.398 1
1 269 . 18 1 1 X 29 29 ILE H H 22 8.049 8.353 -0.304 1
1 270 . 18 1 1 X 29 29 ILE HA H 22 3.343 3.505 -0.162 1
1 280 . 18 1 1 X 29 29 ILE C C 22 177.151 177.677 -0.526 1
1 281 . 18 1 1 X 29 29 ILE CA C 22 66.435 65.384 1.051 1
1 282 . 18 1 1 X 29 29 ILE CB C 22 37.954 37.407 0.547 1
1 286 . 18 1 1 X 29 29 ILE N N 22 120.195 121.355 -1.160 1
1 287 . 18 1 1 X 30 30 GLU H H 23 7.820 8.428 -0.608 1
1 288 . 18 1 1 X 30 30 GLU HA H 23 3.983 3.752 0.231 1
1 293 . 18 1 1 X 30 30 GLU C C 23 178.990 178.807 0.183 1
1 294 . 18 1 1 X 30 30 GLU CA C 23 59.460 60.023 -0.563 1
1 295 . 18 1 1 X 30 30 GLU CB C 23 30.012 29.253 0.759 1
1 297 . 18 1 1 X 30 30 GLU N N 23 118.917 120.740 -1.823 1
1 298 . 18 1 1 X 31 31 LYS H H 24 7.678 8.121 -0.443 1
1 299 . 18 1 1 X 31 31 LYS HA H 24 4.059 3.942 0.117 1
1 308 . 18 1 1 X 31 31 LYS C C 24 179.231 178.883 0.348 1
1 309 . 18 1 1 X 31 31 LYS CA C 24 59.152 59.747 -0.595 1
1 310 . 18 1 1 X 31 31 LYS CB C 24 32.712 32.414 0.298 1
1 314 . 18 1 1 X 31 31 LYS N N 24 118.807 119.551 -0.744 1
1 315 . 18 1 1 X 32 32 GLU H H 25 8.182 8.073 0.109 1
1 316 . 18 1 1 X 32 32 GLU HA H 25 4.309 4.158 0.151 1
1 321 . 18 1 1 X 32 32 GLU C C 25 177.897 178.952 -1.055 1
1 322 . 18 1 1 X 32 32 GLU CA C 25 57.449 58.771 -1.322 1
1 323 . 18 1 1 X 32 32 GLU CB C 25 29.522 29.398 0.124 1
1 325 . 18 1 1 X 32 32 GLU N N 25 118.578 119.335 -0.757 1
1 326 . 18 1 1 X 33 33 ASN H H 26 8.343 8.150 0.193 1
1 327 . 18 1 1 X 33 33 ASN HA H 26 4.608 4.480 0.128 1
1 330 . 18 1 1 X 33 33 ASN C C 26 176.524 177.454 -0.930 1
1 331 . 18 1 1 X 33 33 ASN CA C 26 55.463 56.288 -0.825 1
1 332 . 18 1 1 X 33 33 ASN CB C 26 39.074 38.913 0.161 1
1 333 . 18 1 1 X 33 33 ASN N N 26 118.483 118.642 -0.159 1
1 334 . 18 1 1 X 34 34 VAL H H 27 7.434 7.652 -0.218 1
1 335 . 18 1 1 X 34 34 VAL HA H 27 4.182 4.009 0.173 1
1 343 . 18 1 1 X 34 34 VAL C C 27 176.315 177.155 -0.840 1
1 344 . 18 1 1 X 34 34 VAL CA C 27 62.829 63.810 -0.981 1
1 345 . 18 1 1 X 34 34 VAL CB C 27 32.178 31.116 1.062 1
1 348 . 18 1 1 X 34 34 VAL N N 27 114.036 116.301 -2.265 1
1 349 . 18 1 1 X 35 35 ALA H H 28 7.648 7.698 -0.050 1
1 350 . 18 1 1 X 35 35 ALA HA H 28 4.346 4.285 0.061 1
1 354 . 18 1 1 X 35 35 ALA C C 28 177.126 176.883 0.243 1
1 355 . 18 1 1 X 35 35 ALA CA C 28 52.712 52.091 0.621 1
1 356 . 18 1 1 X 35 35 ALA CB C 28 19.915 19.497 0.418 1
1 357 . 18 1 1 X 35 35 ALA N N 28 124.066 123.669 0.397 1
1 358 . 18 1 1 X 36 36 ALA H H 29 8.337 7.677 0.660 1
1 359 . 18 1 1 X 36 36 ALA HA H 29 4.260 3.935 0.325 1
1 363 . 18 1 1 X 36 36 ALA C C 29 177.999 176.163 1.836 1
1 364 . 18 1 1 X 36 36 ALA CA C 29 53.660 52.866 0.794 1
1 365 . 18 1 1 X 36 36 ALA CB C 29 19.175 17.395 1.780 1
1 366 . 18 1 1 X 36 36 ALA N N 29 121.695 120.157 1.538 1
1 367 . 18 1 1 X 37 37 THR H H 30 8.093 7.524 0.569 1
1 368 . 18 1 1 X 37 37 THR HA H 30 4.533 4.709 -0.176 1
1 373 . 18 1 1 X 37 37 THR C C 30 174.715 173.914 0.801 1
1 374 . 18 1 1 X 37 37 THR CA C 30 60.860 60.381 0.479 1
1 375 . 18 1 1 X 37 37 THR CB C 30 70.424 70.157 0.267 1
1 377 . 18 1 1 X 37 37 THR N N 30 110.112 107.378 2.734 1
1 378 . 18 1 1 X 38 38 ASP H H 31 8.488 8.847 -0.359 1
1 379 . 18 1 1 X 38 38 ASP HA H 31 4.685 4.773 -0.088 1
1 382 . 18 1 1 X 38 38 ASP C C 31 175.896 177.371 -1.475 1
1 383 . 18 1 1 X 38 38 ASP CA C 31 54.704 55.646 -0.942 1
1 384 . 18 1 1 X 38 38 ASP CB C 31 41.389 43.011 -1.622 1
1 385 . 18 1 1 X 38 38 ASP N N 31 121.899 121.230 0.669 1
1 386 . 18 1 1 X 39 39 ASP H H 32 8.368 8.469 -0.101 1
1 387 . 18 1 1 X 39 39 ASP HA H 32 4.459 4.353 0.106 1
1 390 . 18 1 1 X 39 39 ASP C C 32 177.499 177.991 -0.492 1
1 391 . 18 1 1 X 39 39 ASP CA C 32 56.443 56.894 -0.451 1
1 392 . 18 1 1 X 39 39 ASP CB C 32 40.737 39.987 0.750 1
1 393 . 18 1 1 X 39 39 ASP N N 32 118.770 118.787 -0.017 1
1 394 . 18 1 1 X 40 40 VAL H H 33 7.963 7.825 0.138 1
1 395 . 18 1 1 X 40 40 VAL HA H 33 3.800 3.946 -0.146 1
1 403 . 18 1 1 X 40 40 VAL C C 33 177.362 177.539 -0.177 1
1 404 . 18 1 1 X 40 40 VAL CA C 33 64.970 64.830 0.140 1
1 405 . 18 1 1 X 40 40 VAL CB C 33 32.256 32.343 -0.087 1
1 408 . 18 1 1 X 40 40 VAL N N 33 119.409 119.070 0.339 1
1 409 . 18 1 1 X 41 41 LEU H H 34 8.508 8.020 0.488 1
1 410 . 18 1 1 X 41 41 LEU HA H 34 3.857 3.898 -0.041 1
1 420 . 18 1 1 X 41 41 LEU C C 34 177.633 177.847 -0.214 1
1 421 . 18 1 1 X 41 41 LEU CA C 34 58.428 58.597 -0.169 1
1 422 . 18 1 1 X 41 41 LEU CB C 34 41.755 41.205 0.550 1
1 426 . 18 1 1 X 41 41 LEU N N 34 122.150 122.841 -0.691 1
1 427 . 18 1 1 X 42 42 ASP H H 35 8.236 8.745 -0.509 1
1 428 . 18 1 1 X 42 42 ASP HA H 35 4.370 4.443 -0.073 1
1 431 . 18 1 1 X 42 42 ASP C C 35 179.155 178.849 0.306 1
1 432 . 18 1 1 X 42 42 ASP CA C 35 57.925 57.418 0.507 1
1 433 . 18 1 1 X 42 42 ASP CB C 35 40.417 40.923 -0.506 1
1 434 . 18 1 1 X 42 42 ASP N N 35 116.374 118.744 -2.370 1
1 435 . 18 1 1 X 43 43 VAL H H 36 7.320 8.051 -0.731 1
1 436 . 18 1 1 X 43 43 VAL HA H 36 3.782 3.616 0.166 1
1 444 . 18 1 1 X 43 43 VAL C C 36 179.309 178.453 0.856 1
1 445 . 18 1 1 X 43 43 VAL CA C 36 66.080 66.796 -0.716 1
1 446 . 18 1 1 X 43 43 VAL CB C 36 32.245 31.520 0.725 1
1 449 . 18 1 1 X 43 43 VAL N N 36 119.754 119.959 -0.205 1
1 450 . 18 1 1 X 44 44 LEU H H 37 8.122 8.420 -0.298 1
1 451 . 18 1 1 X 44 44 LEU HA H 37 4.008 4.032 -0.024 1
1 461 . 18 1 1 X 44 44 LEU C C 37 179.518 179.337 0.181 1
1 462 . 18 1 1 X 44 44 LEU CA C 37 58.048 57.840 0.208 1
1 463 . 18 1 1 X 44 44 LEU CB C 37 42.374 41.762 0.612 1
1 467 . 18 1 1 X 44 44 LEU N N 37 120.608 118.968 1.640 1
1 468 . 18 1 1 X 45 45 LEU H H 38 8.898 8.378 0.520 1
1 469 . 18 1 1 X 45 45 LEU HA H 38 4.030 3.964 0.066 1
1 479 . 18 1 1 X 45 45 LEU C C 38 179.166 179.576 -0.410 1
1 480 . 18 1 1 X 45 45 LEU CA C 38 58.184 58.148 0.036 1
1 481 . 18 1 1 X 45 45 LEU CB C 38 41.506 41.486 0.020 1
1 485 . 18 1 1 X 45 45 LEU N N 38 119.199 118.723 0.476 1
1 486 . 18 1 1 X 46 46 GLU H H 39 7.964 8.237 -0.273 1
1 487 . 18 1 1 X 46 46 GLU HA H 39 4.066 4.054 0.012 1
1 492 . 18 1 1 X 46 46 GLU C C 39 178.995 178.923 0.072 1
1 493 . 18 1 1 X 46 46 GLU CA C 39 59.769 59.579 0.190 1
1 494 . 18 1 1 X 46 46 GLU CB C 39 29.577 29.248 0.329 1
1 496 . 18 1 1 X 46 46 GLU N N 39 119.334 118.454 0.880 1
1 497 . 18 1 1 X 47 47 HIS H H 40 8.009 8.645 -0.636 1
1 498 . 18 1 1 X 47 47 HIS HA H 40 4.416 4.392 0.024 1
1 503 . 18 1 1 X 47 47 HIS C C 40 176.115 177.029 -0.914 1
1 504 . 18 1 1 X 47 47 HIS CA C 40 60.151 58.960 1.191 1
1 505 . 18 1 1 X 47 47 HIS CB C 40 30.389 30.487 -0.098 1
1 508 . 18 1 1 X 47 47 HIS N N 40 119.610 120.248 -0.638 1
1 509 . 18 1 1 X 48 48 PHE H H 41 8.711 8.520 0.191 1
1 510 . 18 1 1 X 48 48 PHE HA H 41 3.808 4.111 -0.303 1
1 518 . 18 1 1 X 48 48 PHE C C 41 178.023 177.304 0.719 1
1 519 . 18 1 1 X 48 48 PHE CA C 41 62.654 61.388 1.266 1
1 520 . 18 1 1 X 48 48 PHE CB C 41 39.408 39.151 0.257 1
1 526 . 18 1 1 X 48 48 PHE N N 41 118.110 120.221 -2.111 1
1 527 . 18 1 1 X 49 49 VAL H H 42 8.439 8.013 0.426 1
1 528 . 18 1 1 X 49 49 VAL HA H 42 3.359 3.671 -0.312 1
1 536 . 18 1 1 X 49 49 VAL C C 42 178.340 177.507 0.833 1
1 537 . 18 1 1 X 49 49 VAL CA C 42 67.276 64.359 2.917 1
1 538 . 18 1 1 X 49 49 VAL CB C 42 32.235 31.317 0.918 1
1 541 . 18 1 1 X 49 49 VAL N N 42 121.301 118.518 2.783 1
1 542 . 18 1 1 X 50 50 LYS H H 43 8.091 8.454 -0.363 1
1 543 . 18 1 1 X 50 50 LYS HA H 43 3.973 4.344 -0.371 1
1 552 . 18 1 1 X 50 50 LYS C C 43 178.985 178.348 0.637 1
1 553 . 18 1 1 X 50 50 LYS CA C 43 59.580 58.898 0.682 1
1 554 . 18 1 1 X 50 50 LYS CB C 43 32.784 31.820 0.964 1
1 558 . 18 1 1 X 50 50 LYS N N 43 120.887 119.818 1.069 1
1 559 . 18 1 1 X 51 51 ILE H H 44 8.347 7.512 0.835 1
1 560 . 18 1 1 X 51 51 ILE HA H 44 4.159 3.921 0.238 1
1 570 . 18 1 1 X 51 51 ILE C C 44 178.121 177.948 0.173 1
1 571 . 18 1 1 X 51 51 ILE CA C 44 62.328 64.459 -2.131 1
1 572 . 18 1 1 X 51 51 ILE CB C 44 37.576 37.363 0.213 1
1 576 . 18 1 1 X 51 51 ILE N N 44 111.354 116.783 -5.429 1
1 577 . 18 1 1 X 52 52 THR H H 45 7.588 7.550 0.038 1
1 578 . 18 1 1 X 52 52 THR HA H 45 3.683 4.199 -0.516 1
1 583 . 18 1 1 X 52 52 THR C C 45 176.285 175.351 0.934 1
1 584 . 18 1 1 X 52 52 THR CA C 45 65.803 63.667 2.136 1
1 585 . 18 1 1 X 52 52 THR CB C 45 69.689 69.917 -0.228 1
1 587 . 18 1 1 X 52 52 THR N N 45 109.646 112.869 -3.223 1
1 588 . 18 1 1 X 53 53 GLU H H 46 7.366 8.139 -0.773 1
1 589 . 18 1 1 X 53 53 GLU HA H 46 3.836 4.043 -0.207 1
1 594 . 18 1 1 X 53 53 GLU C C 46 173.418 174.769 -1.351 1
1 595 . 18 1 1 X 53 53 GLU CA C 46 57.709 57.496 0.213 1
1 596 . 18 1 1 X 53 53 GLU CB C 46 29.067 27.162 1.905 1
1 598 . 18 1 1 X 53 53 GLU N N 46 112.606 114.450 -1.844 1
1 599 . 18 1 1 X 54 54 HIS H H 47 7.127 7.276 -0.149 1
1 600 . 18 1 1 X 54 54 HIS HA H 47 3.070 3.564 -0.494 1
1 605 . 18 1 1 X 54 54 HIS CA C 47 55.826 54.819 1.007 1
1 606 . 18 1 1 X 54 54 HIS CB C 47 32.124 30.688 1.436 1
1 609 . 18 1 1 X 54 54 HIS N N 47 119.651 119.580 0.071 1
1 610 . 18 1 1 X 55 55 PRO HA H 48 4.143 4.363 -0.220 1
1 617 . 18 1 1 X 55 55 PRO CA C 48 64.843 63.888 0.955 1
1 618 . 18 1 1 X 55 55 PRO CB C 48 32.350 31.882 0.468 1
1 621 . 18 1 1 X 56 56 ASP H H 49 10.605 8.300 2.305 1
1 622 . 18 1 1 X 56 56 ASP HA H 49 4.712 5.049 -0.337 1
1 625 . 18 1 1 X 56 56 ASP C C 49 178.187 176.987 1.200 1
1 626 . 18 1 1 X 56 56 ASP CA C 49 54.989 53.779 1.210 1
1 627 . 18 1 1 X 56 56 ASP CB C 49 40.657 42.182 -1.525 1
1 628 . 18 1 1 X 56 56 ASP N N 49 121.022 118.709 2.313 1
1 629 . 18 1 1 X 57 57 GLY H H 50 8.011 8.152 -0.141 1
1 630 . 18 1 1 X 57 57 GLY HA2 H 50 4.122 3.747 0.375 1
1 631 . 18 1 1 X 57 57 GLY HA3 H 50 3.701 3.811 -0.110 1
1 632 . 18 1 1 X 57 57 GLY C C 50 175.337 176.013 -0.676 1
1 633 . 18 1 1 X 57 57 GLY CA C 50 47.435 47.275 0.160 1
1 634 . 18 1 1 X 57 57 GLY N N 50 108.190 108.910 -0.720 1
1 635 . 18 1 1 X 58 58 THR H H 51 9.047 8.287 0.760 1
1 636 . 18 1 1 X 58 58 THR HA H 51 3.730 4.229 -0.499 1
1 641 . 18 1 1 X 58 58 THR C C 51 176.082 176.240 -0.158 1
1 642 . 18 1 1 X 58 58 THR CA C 51 64.795 65.977 -1.182 1
1 643 . 18 1 1 X 58 58 THR CB C 51 68.398 68.508 -0.110 1
1 645 . 18 1 1 X 58 58 THR N N 51 114.996 116.636 -1.640 1
1 646 . 18 1 1 X 59 59 ALA H H 52 8.142 8.204 -0.062 1
1 647 . 18 1 1 X 59 59 ALA HA H 52 4.205 4.214 -0.009 1
1 651 . 18 1 1 X 59 59 ALA C C 52 179.373 180.340 -0.967 1
1 652 . 18 1 1 X 59 59 ALA CA C 52 55.625 55.153 0.472 1
1 653 . 18 1 1 X 59 59 ALA CB C 52 18.416 18.455 -0.039 1
1 654 . 18 1 1 X 59 59 ALA N N 52 125.565 123.925 1.640 1
1 655 . 18 1 1 X 60 60 LEU H H 53 7.399 8.272 -0.873 1
1 656 . 18 1 1 X 60 60 LEU HA H 53 3.835 3.911 -0.076 1
1 666 . 18 1 1 X 60 60 LEU C C 53 178.601 179.235 -0.634 1
1 667 . 18 1 1 X 60 60 LEU CA C 53 58.031 58.013 0.018 1
1 668 . 18 1 1 X 60 60 LEU CB C 53 43.487 41.500 1.987 1
1 672 . 18 1 1 X 60 60 LEU N N 53 114.763 118.502 -3.739 1
1 673 . 18 1 1 X 61 61 ILE H H 54 6.855 7.577 -0.722 1
1 674 . 18 1 1 X 61 61 ILE HA H 54 3.518 3.333 0.185 1
1 684 . 18 1 1 X 61 61 ILE C C 54 178.595 177.686 0.909 1
1 685 . 18 1 1 X 61 61 ILE CA C 54 62.989 64.965 -1.976 1
1 686 . 18 1 1 X 61 61 ILE CB C 54 38.424 37.305 1.119 1
1 690 . 18 1 1 X 61 61 ILE N N 54 114.394 120.202 -5.808 1
1 691 . 18 1 1 X 62 62 TYR H H 55 7.489 7.834 -0.345 1
1 692 . 18 1 1 X 62 62 TYR HA H 55 4.243 4.240 0.003 1
1 699 . 18 1 1 X 62 62 TYR C C 55 178.634 178.839 -0.205 1
1 700 . 18 1 1 X 62 62 TYR CA C 55 61.518 60.662 0.856 1
1 701 . 18 1 1 X 62 62 TYR CB C 55 37.566 37.704 -0.138 1
1 706 . 18 1 1 X 62 62 TYR N N 55 117.898 119.015 -1.117 1
1 707 . 18 1 1 X 63 63 GLU H H 56 8.659 8.978 -0.319 1
1 708 . 18 1 1 X 63 63 GLU HA H 56 4.441 4.101 0.340 1
1 713 . 18 1 1 X 63 63 GLU C C 56 177.785 178.831 -1.046 1
1 714 . 18 1 1 X 63 63 GLU CA C 56 57.658 59.504 -1.846 1
1 715 . 18 1 1 X 63 63 GLU CB C 56 29.034 29.101 -0.067 1
1 717 . 18 1 1 X 63 63 GLU N N 56 119.392 117.634 1.758 1
1 718 . 18 1 1 X 64 64 ALA H H 57 7.164 8.104 -0.940 1
1 719 . 18 1 1 X 64 64 ALA HA H 57 4.021 4.101 -0.080 1
1 723 . 18 1 1 X 64 64 ALA C C 57 180.327 180.178 0.149 1
1 724 . 18 1 1 X 64 64 ALA CA C 57 55.759 54.968 0.791 1
1 725 . 18 1 1 X 64 64 ALA CB C 57 18.615 17.944 0.671 1
1 726 . 18 1 1 X 64 64 ALA N N 57 121.778 122.291 -0.513 1
1 727 . 18 1 1 X 65 65 ALA H H 58 8.076 8.043 0.033 1
1 728 . 18 1 1 X 65 65 ALA HA H 58 4.137 4.003 0.134 1
1 732 . 18 1 1 X 65 65 ALA C C 58 180.248 179.474 0.774 1
1 733 . 18 1 1 X 65 65 ALA CA C 58 55.104 55.062 0.042 1
1 734 . 18 1 1 X 65 65 ALA CB C 58 18.071 18.486 -0.415 1
1 735 . 18 1 1 X 65 65 ALA N N 58 120.307 119.473 0.834 1
1 736 . 18 1 1 X 66 66 ALA H H 59 7.893 7.618 0.275 1
1 737 . 18 1 1 X 66 66 ALA HA H 59 4.170 4.056 0.114 1
1 741 . 18 1 1 X 66 66 ALA C C 59 180.838 179.496 1.342 1
1 742 . 18 1 1 X 66 66 ALA CA C 59 54.800 55.092 -0.292 1
1 743 . 18 1 1 X 66 66 ALA CB C 59 18.184 18.050 0.134 1
1 744 . 18 1 1 X 66 66 ALA N N 59 122.126 120.586 1.540 1
1 745 . 18 1 1 X 67 67 ARG H H 60 8.139 8.860 -0.721 1
1 746 . 18 1 1 X 67 67 ARG HA H 60 4.065 3.960 0.105 1
1 753 . 18 1 1 X 67 67 ARG C C 60 178.779 179.070 -0.291 1
1 754 . 18 1 1 X 67 67 ARG CA C 60 59.282 59.548 -0.266 1
1 755 . 18 1 1 X 67 67 ARG CB C 60 30.863 30.233 0.630 1
1 758 . 18 1 1 X 67 67 ARG N N 60 118.948 117.863 1.085 1
1 759 . 18 1 1 X 68 68 ALA H H 61 7.891 8.235 -0.344 1
1 760 . 18 1 1 X 68 68 ALA HA H 61 4.141 4.075 0.066 1
1 764 . 18 1 1 X 68 68 ALA C C 61 179.329 179.820 -0.491 1
1 765 . 18 1 1 X 68 68 ALA CA C 61 54.340 54.787 -0.447 1
1 766 . 18 1 1 X 68 68 ALA CB C 61 18.528 18.288 0.240 1
1 767 . 18 1 1 X 68 68 ALA N N 61 121.473 121.851 -0.378 1
1 768 . 18 1 1 X 69 69 ALA H H 62 7.663 8.185 -0.522 1
1 769 . 18 1 1 X 69 69 ALA HA H 62 4.133 4.056 0.077 1
1 773 . 18 1 1 X 69 69 ALA C C 62 178.591 179.238 -0.647 1
1 774 . 18 1 1 X 69 69 ALA CA C 62 53.863 54.980 -1.117 1
1 775 . 18 1 1 X 69 69 ALA CB C 62 18.438 18.185 0.253 1
1 776 . 18 1 1 X 69 69 ALA N N 62 118.937 120.152 -1.215 1
1 777 . 18 1 1 X 70 70 ALA H H 63 7.488 7.610 -0.122 1
1 778 . 18 1 1 X 70 70 ALA HA H 63 4.280 4.304 -0.024 1
1 782 . 18 1 1 X 70 70 ALA C C 63 177.318 177.318 0.000 1
1 783 . 18 1 1 X 70 70 ALA CA C 63 52.981 52.418 0.563 1
1 784 . 18 1 1 X 70 70 ALA CB C 63 19.324 20.116 -0.792 1
1 785 . 18 1 1 X 70 70 ALA N N 63 118.642 118.100 0.542 1
1 786 . 18 1 1 X 71 71 ASN H H 64 7.631 8.688 -1.057 1
1 787 . 18 1 1 X 71 71 ASN HA H 64 5.077 4.407 0.670 1
1 792 . 18 1 1 X 71 71 ASN CA C 64 50.877 53.898 -3.021 1
1 793 . 18 1 1 X 71 71 ASN CB C 64 39.243 36.965 2.278 1
1 795 . 18 1 1 X 71 71 ASN N N 64 116.008 116.055 -0.047 1
1 797 . 18 1 1 X 72 72 PRO HA H 65 4.468 4.358 0.110 1
1 804 . 18 1 1 X 72 72 PRO CA C 65 64.454 63.749 0.705 1
1 805 . 18 1 1 X 72 72 PRO CB C 65 32.007 31.330 0.677 1
1 808 . 18 1 1 X 73 73 GLY H H 66 8.608 8.669 -0.061 1
1 809 . 18 1 1 X 73 73 GLY HA2 H 66 3.978 3.843 0.135 1
1 810 . 18 1 1 X 73 73 GLY HA3 H 66 3.978 3.845 0.133 1
1 811 . 18 1 1 X 73 73 GLY C C 66 175.054 174.881 0.173 1
1 812 . 18 1 1 X 73 73 GLY CA C 66 45.521 47.119 -1.598 1
1 813 . 18 1 1 X 73 73 GLY N N 66 109.435 112.751 -3.316 1
1 814 . 18 1 1 X 74 74 GLY H H 67 8.085 8.380 -0.295 1
1 815 . 18 1 1 X 74 74 GLY HA2 H 67 4.132 4.154 -0.022 1
1 816 . 18 1 1 X 74 74 GLY HA3 H 67 3.896 4.157 -0.261 1
1 817 . 18 1 1 X 74 74 GLY C C 67 174.008 172.854 1.154 1
1 818 . 18 1 1 X 74 74 GLY CA C 67 45.450 45.497 -0.047 1
1 819 . 18 1 1 X 74 74 GLY N N 67 108.472 114.175 -5.703 1
1 820 . 18 1 1 X 75 75 ASP H H 68 8.307 7.987 0.320 1
1 821 . 18 1 1 X 75 75 ASP HA H 68 4.646 4.963 -0.317 1
1 824 . 18 1 1 X 75 75 ASP C C 68 176.933 176.422 0.511 1
1 825 . 18 1 1 X 75 75 ASP CA C 68 54.226 53.085 1.141 1
1 826 . 18 1 1 X 75 75 ASP CB C 68 41.486 43.159 -1.673 1
1 827 . 18 1 1 X 75 75 ASP N N 68 119.941 120.212 -0.271 1
1 828 . 18 1 1 X 76 76 GLY H H 69 8.502 8.844 -0.342 1
1 829 . 18 1 1 X 76 76 GLY HA2 H 69 3.966 3.965 0.001 1
1 830 . 18 1 1 X 76 76 GLY HA3 H 69 3.951 3.965 -0.014 1
1 831 . 18 1 1 X 76 76 GLY C C 69 174.771 174.984 -0.213 1
1 832 . 18 1 1 X 76 76 GLY CA C 69 45.744 45.335 0.409 1
1 833 . 18 1 1 X 76 76 GLY N N 69 109.061 112.091 -3.030 1
1 834 . 18 1 1 X 77 77 GLY H H 70 8.367 8.116 0.251 1
1 835 . 18 1 1 X 77 77 GLY HA2 H 70 4.092 3.974 0.118 1
1 836 . 18 1 1 X 77 77 GLY HA3 H 70 3.920 3.979 -0.059 1
1 837 . 18 1 1 X 77 77 GLY C C 70 174.782 173.835 0.947 1
1 838 . 18 1 1 X 77 77 GLY CA C 70 45.327 46.566 -1.239 1
1 839 . 18 1 1 X 77 77 GLY N N 70 108.393 107.397 0.996 1
1 840 . 18 1 1 X 78 78 GLY H H 71 8.263 7.747 0.516 1
1 841 . 18 1 1 X 78 78 GLY HA2 H 71 4.205 4.106 0.099 1
1 842 . 18 1 1 X 78 78 GLY HA3 H 71 4.092 4.119 -0.027 1
1 843 . 18 1 1 X 78 78 GLY CA C 71 45.581 44.574 1.007 1
1 844 . 18 1 1 X 78 78 GLY N N 71 108.388 110.399 -2.011 1
1 845 . 18 1 1 X 79 79 PRO HA H 72 4.199 4.248 -0.049 1
1 852 . 18 1 1 X 79 79 PRO C C 72 178.000 177.657 0.343 1
1 853 . 18 1 1 X 79 79 PRO CA C 72 65.568 64.943 0.625 1
1 854 . 18 1 1 X 79 79 PRO CB C 72 32.864 31.712 1.152 1
1 857 . 18 1 1 X 80 80 GLU H H 73 9.283 8.440 0.843 1
1 858 . 18 1 1 X 80 80 GLU HA H 73 3.833 4.262 -0.429 1
1 863 . 18 1 1 X 80 80 GLU C C 73 179.587 177.900 1.687 1
1 864 . 18 1 1 X 80 80 GLU CA C 73 61.125 57.332 3.793 1
1 865 . 18 1 1 X 80 80 GLU CB C 73 28.576 29.380 -0.804 1
1 867 . 18 1 1 X 80 80 GLU N N 73 117.078 116.003 1.075 1
1 868 . 18 1 1 X 81 81 GLY H H 74 7.926 8.078 -0.152 1
1 869 . 18 1 1 X 81 81 GLY HA2 H 74 3.964 3.902 0.062 1
1 870 . 18 1 1 X 81 81 GLY HA3 H 74 3.914 3.923 -0.009 1
1 871 . 18 1 1 X 81 81 GLY C C 74 176.538 175.510 1.028 1
1 872 . 18 1 1 X 81 81 GLY CA C 74 47.084 45.910 1.174 1
1 873 . 18 1 1 X 81 81 GLY N N 74 108.577 108.535 0.042 1
1 874 . 18 1 1 X 82 82 ILE H H 75 7.593 7.666 -0.073 1
1 875 . 18 1 1 X 82 82 ILE HA H 75 3.873 3.858 0.015 1
1 885 . 18 1 1 X 82 82 ILE C C 75 178.147 177.991 0.156 1
1 886 . 18 1 1 X 82 82 ILE CA C 75 65.342 64.466 0.876 1
1 887 . 18 1 1 X 82 82 ILE CB C 75 38.163 37.252 0.911 1
1 891 . 18 1 1 X 82 82 ILE N N 75 123.572 122.173 1.399 1
1 892 . 18 1 1 X 83 83 VAL H H 76 8.135 7.521 0.614 1
1 893 . 18 1 1 X 83 83 VAL HA H 76 3.575 4.259 -0.684 1
1 901 . 18 1 1 X 83 83 VAL C C 76 177.094 178.023 -0.929 1
1 902 . 18 1 1 X 83 83 VAL CA C 76 68.153 65.981 2.172 1
1 903 . 18 1 1 X 83 83 VAL CB C 76 31.653 31.621 0.032 1
1 906 . 18 1 1 X 83 83 VAL N N 76 118.553 118.122 0.431 1
1 907 . 18 1 1 X 84 84 LYS H H 77 7.803 8.121 -0.318 1
1 908 . 18 1 1 X 84 84 LYS HA H 77 4.006 4.077 -0.071 1
1 917 . 18 1 1 X 84 84 LYS C C 77 178.064 178.640 -0.576 1
1 918 . 18 1 1 X 84 84 LYS CA C 77 60.516 59.332 1.184 1
1 919 . 18 1 1 X 84 84 LYS CB C 77 32.849 32.220 0.629 1
1 923 . 18 1 1 X 84 84 LYS N N 77 119.572 121.056 -1.484 1
1 924 . 18 1 1 X 85 85 GLU H H 78 7.629 7.962 -0.333 1
1 925 . 18 1 1 X 85 85 GLU HA H 78 4.246 4.148 0.098 1
1 930 . 18 1 1 X 85 85 GLU C C 78 179.834 179.432 0.402 1
1 931 . 18 1 1 X 85 85 GLU CA C 78 59.752 59.295 0.457 1
1 932 . 18 1 1 X 85 85 GLU CB C 78 29.189 29.739 -0.550 1
1 934 . 18 1 1 X 85 85 GLU N N 78 118.366 118.941 -0.575 1
1 935 . 18 1 1 X 86 86 ILE H H 79 8.432 8.525 -0.093 1
1 936 . 18 1 1 X 86 86 ILE HA H 79 3.781 3.782 -0.001 1
1 946 . 18 1 1 X 86 86 ILE C C 79 177.578 178.408 -0.830 1
1 947 . 18 1 1 X 86 86 ILE CA C 79 65.454 65.178 0.276 1
1 948 . 18 1 1 X 86 86 ILE CB C 79 37.940 37.863 0.077 1
1 952 . 18 1 1 X 86 86 ILE N N 79 118.975 120.995 -2.020 1
1 953 . 18 1 1 X 87 87 LYS H H 80 9.096 8.579 0.517 1
1 954 . 18 1 1 X 87 87 LYS HA H 80 3.958 3.763 0.195 1
1 963 . 18 1 1 X 87 87 LYS C C 80 180.285 178.398 1.887 1
1 964 . 18 1 1 X 87 87 LYS CA C 80 60.290 58.979 1.311 1
1 965 . 18 1 1 X 87 87 LYS CB C 80 33.299 31.965 1.334 1
1 969 . 18 1 1 X 87 87 LYS N N 80 119.805 120.420 -0.615 1
1 970 . 18 1 1 X 88 88 GLU H H 81 8.508 7.991 0.517 1
1 971 . 18 1 1 X 88 88 GLU HA H 81 4.099 4.090 0.009 1
1 976 . 18 1 1 X 88 88 GLU C C 81 179.195 178.852 0.343 1
1 977 . 18 1 1 X 88 88 GLU CA C 81 59.632 59.087 0.545 1
1 978 . 18 1 1 X 88 88 GLU CB C 81 29.649 29.546 0.103 1
1 980 . 18 1 1 X 88 88 GLU N N 81 118.920 119.280 -0.360 1
1 981 . 18 1 1 X 89 89 TRP H H 82 8.682 7.937 0.745 1
1 982 . 18 1 1 X 89 89 TRP HA H 82 4.201 4.283 -0.082 1
1 991 . 18 1 1 X 89 89 TRP C C 82 179.807 178.568 1.239 1
1 992 . 18 1 1 X 89 89 TRP CA C 82 63.110 60.725 2.385 1
1 993 . 18 1 1 X 89 89 TRP CB C 82 29.285 29.618 -0.333 1
1 999 . 18 1 1 X 89 89 TRP N N 82 122.152 122.862 -0.710 1
1 1001 . 18 1 1 X 90 90 ARG H H 83 9.025 8.117 0.908 1
1 1002 . 18 1 1 X 90 90 ARG HA H 83 3.295 3.575 -0.280 1
1 1009 . 18 1 1 X 90 90 ARG C C 83 178.120 178.866 -0.746 1
1 1010 . 18 1 1 X 90 90 ARG CA C 83 60.895 59.792 1.103 1
1 1011 . 18 1 1 X 90 90 ARG CB C 83 28.668 29.781 -1.113 1
1 1014 . 18 1 1 X 90 90 ARG N N 83 118.380 118.650 -0.270 1
1 1015 . 18 1 1 X 91 91 ALA H H 84 7.759 7.560 0.199 1
1 1016 . 18 1 1 X 91 91 ALA HA H 84 4.151 4.007 0.144 1
1 1020 . 18 1 1 X 91 91 ALA C C 84 181.466 180.006 1.460 1
1 1021 . 18 1 1 X 91 91 ALA CA C 84 55.217 55.040 0.177 1
1 1022 . 18 1 1 X 91 91 ALA CB C 84 18.175 18.114 0.061 1
1 1023 . 18 1 1 X 91 91 ALA N N 84 120.210 122.117 -1.907 1
1 1024 . 18 1 1 X 92 92 ALA H H 85 7.943 7.453 0.490 1
1 1025 . 18 1 1 X 92 92 ALA HA H 85 4.081 4.012 0.069 1
1 1029 . 18 1 1 X 92 92 ALA C C 85 178.324 179.312 -0.988 1
1 1030 . 18 1 1 X 92 92 ALA CA C 85 54.244 54.981 -0.737 1
1 1031 . 18 1 1 X 92 92 ALA CB C 85 18.306 18.260 0.046 1
1 1032 . 18 1 1 X 92 92 ALA N N 85 120.470 119.999 0.471 1
1 1033 . 18 1 1 X 93 93 ASN H H 86 7.005 7.618 -0.613 1
1 1034 . 18 1 1 X 93 93 ASN HA H 86 4.475 4.459 0.016 1
1 1039 . 18 1 1 X 93 93 ASN C C 86 174.108 175.305 -1.197 1
1 1040 . 18 1 1 X 93 93 ASN CA C 86 53.347 53.395 -0.048 1
1 1041 . 18 1 1 X 93 93 ASN CB C 86 39.379 38.389 0.990 1
1 1043 . 18 1 1 X 93 93 ASN N N 86 113.372 114.163 -0.791 1
1 1045 . 18 1 1 X 94 94 GLY H H 87 7.535 8.151 -0.616 1
1 1046 . 18 1 1 X 94 94 GLY HA2 H 87 3.810 3.849 -0.039 1
1 1047 . 18 1 1 X 94 94 GLY HA3 H 87 3.810 3.853 -0.043 1
1 1048 . 18 1 1 X 94 94 GLY C C 87 174.481 174.119 0.362 1
1 1049 . 18 1 1 X 94 94 GLY CA C 87 47.230 45.465 1.765 1
1 1050 . 18 1 1 X 94 94 GLY N N 87 108.152 107.027 1.125 1
1 1051 . 18 1 1 X 95 95 LYS H H 88 8.037 7.900 0.137 1
1 1052 . 18 1 1 X 95 95 LYS HA H 88 4.654 4.679 -0.025 1
1 1061 . 18 1 1 X 95 95 LYS CA C 88 53.357 53.190 0.167 1
1 1062 . 18 1 1 X 95 95 LYS CB C 88 32.741 32.667 0.074 1
1 1066 . 18 1 1 X 95 95 LYS N N 88 119.147 119.930 -0.783 1
1 1067 . 18 1 1 X 96 96 PRO HA H 89 4.275 4.523 -0.248 1
1 1074 . 18 1 1 X 96 96 PRO C C 89 176.696 177.254 -0.558 1
1 1075 . 18 1 1 X 96 96 PRO CA C 89 63.482 63.151 0.331 1
1 1076 . 18 1 1 X 96 96 PRO CB C 89 32.981 32.022 0.959 1
1 1079 . 18 1 1 X 97 97 GLY H H 90 8.336 8.291 0.045 1
1 1080 . 18 1 1 X 97 97 GLY HA2 H 90 4.074 3.824 0.250 1
1 1081 . 18 1 1 X 97 97 GLY HA3 H 90 3.615 3.915 -0.300 1
1 1082 . 18 1 1 X 97 97 GLY C C 90 173.388 173.521 -0.133 1
1 1083 . 18 1 1 X 97 97 GLY CA C 90 43.347 43.956 -0.609 1
1 1084 . 18 1 1 X 97 97 GLY N N 90 110.343 107.918 2.425 1
1 1085 . 18 1 1 X 98 98 PHE H H 91 7.749 8.024 -0.275 1
1 1086 . 18 1 1 X 98 98 PHE HA H 91 4.527 4.952 -0.425 1
1 1094 . 18 1 1 X 98 98 PHE C C 91 177.021 175.771 1.250 1
1 1095 . 18 1 1 X 98 98 PHE CA C 91 59.184 58.172 1.012 1
1 1096 . 18 1 1 X 98 98 PHE CB C 91 40.005 39.868 0.137 1
1 1102 . 18 1 1 X 98 98 PHE N N 91 116.151 119.612 -3.461 1
1 1103 . 18 1 1 X 99 99 LYS H H 92 8.531 8.615 -0.084 1
1 1104 . 18 1 1 X 99 99 LYS HA H 92 4.178 4.309 -0.131 1
1 1113 . 18 1 1 X 99 99 LYS C C 92 176.542 176.137 0.405 1
1 1114 . 18 1 1 X 99 99 LYS CA C 92 57.292 56.328 0.964 1
1 1115 . 18 1 1 X 99 99 LYS CB C 92 32.875 33.260 -0.385 1
1 1119 . 18 1 1 X 99 99 LYS N N 92 123.602 120.951 2.651 1
1 1120 . 18 1 1 X 100 100 GLN H H 93 8.633 8.590 0.043 1
1 1121 . 18 1 1 X 100 100 GLN HA H 93 4.297 4.809 -0.512 1
1 1128 . 18 1 1 X 100 100 GLN C C 93 175.318 175.934 -0.616 1
1 1129 . 18 1 1 X 100 100 GLN CA C 93 56.479 55.271 1.208 1
1 1130 . 18 1 1 X 100 100 GLN CB C 93 29.751 29.676 0.075 1
1 1133 . 18 1 1 X 100 100 GLN N N 93 125.089 120.294 4.795 1
1 12 . 19 1 1 X 10 10 LEU H H 3 8.121 8.616 -0.495 1
1 13 . 19 1 1 X 10 10 LEU HA H 3 4.240 5.194 -0.954 1
1 23 . 19 1 1 X 10 10 LEU C C 3 176.909 176.277 0.632 1
1 24 . 19 1 1 X 10 10 LEU CA C 3 54.748 53.707 1.041 1
1 25 . 19 1 1 X 10 10 LEU CB C 3 41.272 43.232 -1.960 1
1 29 . 19 1 1 X 10 10 LEU N N 3 123.688 123.985 -0.297 1
1 30 . 19 1 1 X 11 11 LYS H H 4 7.677 8.823 -1.146 1
1 31 . 19 1 1 X 11 11 LYS HA H 4 4.404 4.583 -0.179 1
1 40 . 19 1 1 X 11 11 LYS C C 4 176.184 176.899 -0.715 1
1 41 . 19 1 1 X 11 11 LYS CA C 4 55.828 54.671 1.157 1
1 42 . 19 1 1 X 11 11 LYS CB C 4 33.482 33.853 -0.371 1
1 46 . 19 1 1 X 11 11 LYS N N 4 122.221 122.712 -0.491 1
1 47 . 19 1 1 X 12 12 ASN H H 5 8.538 8.773 -0.235 1
1 48 . 19 1 1 X 12 12 ASN HA H 5 4.685 5.156 -0.471 1
1 53 . 19 1 1 X 12 12 ASN C C 5 174.925 175.151 -0.226 1
1 54 . 19 1 1 X 12 12 ASN CA C 5 55.721 54.098 1.623 1
1 55 . 19 1 1 X 12 12 ASN CB C 5 40.409 41.066 -0.657 1
1 57 . 19 1 1 X 12 12 ASN N N 5 116.610 117.978 -1.368 1
1 59 . 19 1 1 X 13 13 SER H H 6 8.144 7.678 0.466 1
1 60 . 19 1 1 X 13 13 SER HA H 6 4.819 4.800 0.019 1
1 63 . 19 1 1 X 13 13 SER C C 6 175.123 174.985 0.138 1
1 64 . 19 1 1 X 13 13 SER CA C 6 56.778 55.718 1.060 1
1 65 . 19 1 1 X 13 13 SER CB C 6 65.949 67.079 -1.130 1
1 66 . 19 1 1 X 13 13 SER N N 6 112.138 110.697 1.441 1
1 67 . 19 1 1 X 14 14 ILE H H 7 9.318 8.755 0.563 1
1 68 . 19 1 1 X 14 14 ILE HA H 7 3.966 4.018 -0.052 1
1 78 . 19 1 1 X 14 14 ILE C C 7 175.537 177.016 -1.479 1
1 79 . 19 1 1 X 14 14 ILE CA C 7 64.956 63.648 1.308 1
1 80 . 19 1 1 X 14 14 ILE CB C 7 37.062 37.815 -0.753 1
1 84 . 19 1 1 X 14 14 ILE N N 7 126.034 124.577 1.457 1
1 85 . 19 1 1 X 15 15 SER H H 8 7.504 7.902 -0.398 1
1 86 . 19 1 1 X 15 15 SER HA H 8 4.694 4.165 0.529 1
1 89 . 19 1 1 X 15 15 SER C C 8 174.278 175.419 -1.141 1
1 90 . 19 1 1 X 15 15 SER CA C 8 59.481 61.101 -1.620 1
1 91 . 19 1 1 X 15 15 SER CB C 8 63.241 62.956 0.285 1
1 92 . 19 1 1 X 15 15 SER N N 8 112.517 116.789 -4.272 1
1 93 . 19 1 1 X 16 16 ASP H H 9 7.783 7.606 0.177 1
1 94 . 19 1 1 X 16 16 ASP HA H 9 4.791 4.723 0.068 1
1 97 . 19 1 1 X 16 16 ASP C C 9 175.976 175.887 0.089 1
1 98 . 19 1 1 X 16 16 ASP CA C 9 55.243 53.350 1.893 1
1 99 . 19 1 1 X 16 16 ASP CB C 9 43.327 41.038 2.289 1
1 100 . 19 1 1 X 16 16 ASP N N 9 117.795 120.139 -2.344 1
1 101 . 19 1 1 X 17 17 TYR H H 10 8.279 7.699 0.580 1
1 102 . 19 1 1 X 17 17 TYR HA H 10 4.962 4.986 -0.024 1
1 109 . 19 1 1 X 17 17 TYR C C 10 177.535 176.158 1.377 1
1 110 . 19 1 1 X 17 17 TYR CA C 10 58.573 57.525 1.048 1
1 111 . 19 1 1 X 17 17 TYR CB C 10 41.015 40.080 0.935 1
1 116 . 19 1 1 X 17 17 TYR N N 10 120.484 118.983 1.501 1
1 117 . 19 1 1 X 18 18 THR H H 11 8.796 8.942 -0.146 1
1 118 . 19 1 1 X 18 18 THR HA H 11 5.040 4.872 0.168 1
1 123 . 19 1 1 X 18 18 THR C C 11 176.099 176.104 -0.005 1
1 124 . 19 1 1 X 18 18 THR CA C 11 60.775 60.640 0.135 1
1 125 . 19 1 1 X 18 18 THR CB C 11 71.041 71.300 -0.259 1
1 127 . 19 1 1 X 18 18 THR N N 11 112.143 116.692 -4.549 1
1 128 . 19 1 1 X 19 19 GLU H H 12 9.173 9.075 0.098 1
1 129 . 19 1 1 X 19 19 GLU HA H 12 2.757 3.704 -0.947 1
1 134 . 19 1 1 X 19 19 GLU C C 12 178.378 178.612 -0.234 1
1 135 . 19 1 1 X 19 19 GLU CA C 12 60.906 59.186 1.720 1
1 136 . 19 1 1 X 19 19 GLU CB C 12 29.442 29.024 0.418 1
1 138 . 19 1 1 X 19 19 GLU N N 12 122.386 120.552 1.834 1
1 139 . 19 1 1 X 20 20 ALA H H 13 8.356 8.290 0.066 1
1 140 . 19 1 1 X 20 20 ALA HA H 13 4.069 4.136 -0.067 1
1 144 . 19 1 1 X 20 20 ALA C C 13 181.816 179.782 2.034 1
1 145 . 19 1 1 X 20 20 ALA CA C 13 55.388 54.965 0.423 1
1 146 . 19 1 1 X 20 20 ALA CB C 13 18.308 18.159 0.149 1
1 147 . 19 1 1 X 20 20 ALA N N 13 118.695 122.305 -3.610 1
1 148 . 19 1 1 X 21 21 GLU H H 14 8.013 8.297 -0.284 1
1 149 . 19 1 1 X 21 21 GLU HA H 14 4.131 4.160 -0.029 1
1 154 . 19 1 1 X 21 21 GLU C C 14 179.649 179.439 0.210 1
1 155 . 19 1 1 X 21 21 GLU CA C 14 58.916 59.111 -0.195 1
1 156 . 19 1 1 X 21 21 GLU CB C 14 31.632 29.666 1.966 1
1 158 . 19 1 1 X 21 21 GLU N N 14 118.978 119.439 -0.461 1
1 159 . 19 1 1 X 22 22 PHE H H 15 8.635 8.322 0.313 1
1 160 . 19 1 1 X 22 22 PHE HA H 15 4.049 4.284 -0.235 1
1 167 . 19 1 1 X 22 22 PHE C C 15 177.402 177.705 -0.303 1
1 168 . 19 1 1 X 22 22 PHE CA C 15 62.183 61.209 0.974 1
1 169 . 19 1 1 X 22 22 PHE CB C 15 40.545 39.069 1.476 1
1 174 . 19 1 1 X 22 22 PHE N N 15 124.639 122.419 2.220 1
1 175 . 19 1 1 X 23 23 VAL H H 16 8.647 8.621 0.026 1
1 176 . 19 1 1 X 23 23 VAL HA H 16 3.416 3.728 -0.312 1
1 184 . 19 1 1 X 23 23 VAL C C 16 177.798 177.735 0.063 1
1 185 . 19 1 1 X 23 23 VAL CA C 16 67.917 66.527 1.390 1
1 186 . 19 1 1 X 23 23 VAL CB C 16 31.579 31.227 0.352 1
1 189 . 19 1 1 X 23 23 VAL N N 16 119.817 118.619 1.198 1
1 190 . 19 1 1 X 24 24 GLN H H 17 7.569 8.276 -0.707 1
1 191 . 19 1 1 X 24 24 GLN HA H 17 3.943 3.947 -0.004 1
1 198 . 19 1 1 X 24 24 GLN C C 17 178.313 178.132 0.181 1
1 199 . 19 1 1 X 24 24 GLN CA C 17 59.289 59.099 0.190 1
1 200 . 19 1 1 X 24 24 GLN CB C 17 27.814 28.068 -0.254 1
1 203 . 19 1 1 X 24 24 GLN N N 17 117.658 121.082 -3.424 1
1 205 . 19 1 1 X 25 25 LEU H H 18 7.512 7.608 -0.096 1
1 206 . 19 1 1 X 25 25 LEU HA H 18 4.136 4.008 0.128 1
1 216 . 19 1 1 X 25 25 LEU C C 18 178.440 178.088 0.352 1
1 217 . 19 1 1 X 25 25 LEU CA C 18 58.651 58.103 0.548 1
1 218 . 19 1 1 X 25 25 LEU CB C 18 40.626 41.249 -0.623 1
1 222 . 19 1 1 X 25 25 LEU N N 18 122.037 121.108 0.929 1
1 223 . 19 1 1 X 26 26 LEU H H 19 7.761 8.333 -0.572 1
1 224 . 19 1 1 X 26 26 LEU HA H 19 3.748 3.565 0.183 1
1 234 . 19 1 1 X 26 26 LEU C C 19 180.080 179.132 0.948 1
1 235 . 19 1 1 X 26 26 LEU CA C 19 58.041 57.794 0.247 1
1 236 . 19 1 1 X 26 26 LEU CB C 19 41.009 41.146 -0.137 1
1 240 . 19 1 1 X 26 26 LEU N N 19 118.502 118.265 0.237 1
1 241 . 19 1 1 X 27 27 LYS H H 20 8.357 8.359 -0.002 1
1 242 . 19 1 1 X 27 27 LYS HA H 20 4.019 3.835 0.184 1
1 251 . 19 1 1 X 27 27 LYS C C 20 179.559 179.886 -0.327 1
1 252 . 19 1 1 X 27 27 LYS CA C 20 59.648 60.297 -0.649 1
1 253 . 19 1 1 X 27 27 LYS CB C 20 31.995 31.895 0.100 1
1 257 . 19 1 1 X 27 27 LYS N N 20 120.427 117.900 2.527 1
1 258 . 19 1 1 X 28 28 GLU H H 21 8.123 7.844 0.279 1
1 259 . 19 1 1 X 28 28 GLU HA H 21 4.082 3.998 0.084 1
1 264 . 19 1 1 X 28 28 GLU C C 21 179.063 179.320 -0.257 1
1 265 . 19 1 1 X 28 28 GLU CA C 21 59.406 59.163 0.243 1
1 266 . 19 1 1 X 28 28 GLU CB C 21 29.146 29.459 -0.313 1
1 268 . 19 1 1 X 28 28 GLU N N 21 122.374 120.115 2.259 1
1 269 . 19 1 1 X 29 29 ILE H H 22 8.049 8.449 -0.400 1
1 270 . 19 1 1 X 29 29 ILE HA H 22 3.343 3.475 -0.132 1
1 280 . 19 1 1 X 29 29 ILE C C 22 177.151 177.831 -0.680 1
1 281 . 19 1 1 X 29 29 ILE CA C 22 66.435 65.633 0.802 1
1 282 . 19 1 1 X 29 29 ILE CB C 22 37.954 37.632 0.322 1
1 286 . 19 1 1 X 29 29 ILE N N 22 120.195 121.067 -0.872 1
1 287 . 19 1 1 X 30 30 GLU H H 23 7.820 7.966 -0.146 1
1 288 . 19 1 1 X 30 30 GLU HA H 23 3.983 3.759 0.224 1
1 293 . 19 1 1 X 30 30 GLU C C 23 178.990 179.135 -0.145 1
1 294 . 19 1 1 X 30 30 GLU CA C 23 59.460 59.794 -0.334 1
1 295 . 19 1 1 X 30 30 GLU CB C 23 30.012 29.489 0.523 1
1 297 . 19 1 1 X 30 30 GLU N N 23 118.917 118.771 0.146 1
1 298 . 19 1 1 X 31 31 LYS H H 24 7.678 7.791 -0.113 1
1 299 . 19 1 1 X 31 31 LYS HA H 24 4.059 3.934 0.125 1
1 308 . 19 1 1 X 31 31 LYS C C 24 179.231 178.649 0.582 1
1 309 . 19 1 1 X 31 31 LYS CA C 24 59.152 59.744 -0.592 1
1 310 . 19 1 1 X 31 31 LYS CB C 24 32.712 32.450 0.262 1
1 314 . 19 1 1 X 31 31 LYS N N 24 118.807 120.114 -1.307 1
1 315 . 19 1 1 X 32 32 GLU H H 25 8.182 7.941 0.241 1
1 316 . 19 1 1 X 32 32 GLU HA H 25 4.309 4.187 0.122 1
1 321 . 19 1 1 X 32 32 GLU C C 25 177.897 178.543 -0.646 1
1 322 . 19 1 1 X 32 32 GLU CA C 25 57.449 58.146 -0.697 1
1 323 . 19 1 1 X 32 32 GLU CB C 25 29.522 29.406 0.116 1
1 325 . 19 1 1 X 32 32 GLU N N 25 118.578 118.915 -0.337 1
1 326 . 19 1 1 X 33 33 ASN H H 26 8.343 7.712 0.631 1
1 327 . 19 1 1 X 33 33 ASN HA H 26 4.608 4.457 0.151 1
1 330 . 19 1 1 X 33 33 ASN C C 26 176.524 177.413 -0.889 1
1 331 . 19 1 1 X 33 33 ASN CA C 26 55.463 55.876 -0.413 1
1 332 . 19 1 1 X 33 33 ASN CB C 26 39.074 38.630 0.444 1
1 333 . 19 1 1 X 33 33 ASN N N 26 118.483 118.579 -0.096 1
1 334 . 19 1 1 X 34 34 VAL H H 27 7.434 8.183 -0.749 1
1 335 . 19 1 1 X 34 34 VAL HA H 27 4.182 4.005 0.177 1
1 343 . 19 1 1 X 34 34 VAL C C 27 176.315 177.850 -1.535 1
1 344 . 19 1 1 X 34 34 VAL CA C 27 62.829 63.395 -0.566 1
1 345 . 19 1 1 X 34 34 VAL CB C 27 32.178 31.723 0.455 1
1 348 . 19 1 1 X 34 34 VAL N N 27 114.036 116.903 -2.867 1
1 349 . 19 1 1 X 35 35 ALA H H 28 7.648 7.292 0.356 1
1 350 . 19 1 1 X 35 35 ALA HA H 28 4.346 4.285 0.061 1
1 354 . 19 1 1 X 35 35 ALA C C 28 177.126 176.854 0.272 1
1 355 . 19 1 1 X 35 35 ALA CA C 28 52.712 52.593 0.119 1
1 356 . 19 1 1 X 35 35 ALA CB C 28 19.915 19.489 0.426 1
1 357 . 19 1 1 X 35 35 ALA N N 28 124.066 123.662 0.404 1
1 358 . 19 1 1 X 36 36 ALA H H 29 8.337 7.928 0.409 1
1 359 . 19 1 1 X 36 36 ALA HA H 29 4.260 3.933 0.327 1
1 363 . 19 1 1 X 36 36 ALA C C 29 177.999 176.113 1.886 1
1 364 . 19 1 1 X 36 36 ALA CA C 29 53.660 52.895 0.765 1
1 365 . 19 1 1 X 36 36 ALA CB C 29 19.175 17.434 1.741 1
1 366 . 19 1 1 X 36 36 ALA N N 29 121.695 119.987 1.708 1
1 367 . 19 1 1 X 37 37 THR H H 30 8.093 7.962 0.131 1
1 368 . 19 1 1 X 37 37 THR HA H 30 4.533 4.807 -0.274 1
1 373 . 19 1 1 X 37 37 THR C C 30 174.715 173.917 0.798 1
1 374 . 19 1 1 X 37 37 THR CA C 30 60.860 60.438 0.422 1
1 375 . 19 1 1 X 37 37 THR CB C 30 70.424 70.048 0.376 1
1 377 . 19 1 1 X 37 37 THR N N 30 110.112 107.568 2.544 1
1 378 . 19 1 1 X 38 38 ASP H H 31 8.488 8.467 0.021 1
1 379 . 19 1 1 X 38 38 ASP HA H 31 4.685 4.925 -0.240 1
1 382 . 19 1 1 X 38 38 ASP C C 31 175.896 177.182 -1.286 1
1 383 . 19 1 1 X 38 38 ASP CA C 31 54.704 54.220 0.484 1
1 384 . 19 1 1 X 38 38 ASP CB C 31 41.389 43.258 -1.869 1
1 385 . 19 1 1 X 38 38 ASP N N 31 121.899 120.159 1.740 1
1 386 . 19 1 1 X 39 39 ASP H H 32 8.368 8.272 0.096 1
1 387 . 19 1 1 X 39 39 ASP HA H 32 4.459 4.398 0.061 1
1 390 . 19 1 1 X 39 39 ASP C C 32 177.499 178.170 -0.671 1
1 391 . 19 1 1 X 39 39 ASP CA C 32 56.443 57.262 -0.819 1
1 392 . 19 1 1 X 39 39 ASP CB C 32 40.737 40.742 -0.005 1
1 393 . 19 1 1 X 39 39 ASP N N 32 118.770 121.135 -2.365 1
1 394 . 19 1 1 X 40 40 VAL H H 33 7.963 7.894 0.069 1
1 395 . 19 1 1 X 40 40 VAL HA H 33 3.800 3.853 -0.053 1
1 403 . 19 1 1 X 40 40 VAL C C 33 177.362 177.796 -0.434 1
1 404 . 19 1 1 X 40 40 VAL CA C 33 64.970 65.249 -0.279 1
1 405 . 19 1 1 X 40 40 VAL CB C 33 32.256 31.515 0.741 1
1 408 . 19 1 1 X 40 40 VAL N N 33 119.409 118.727 0.682 1
1 409 . 19 1 1 X 41 41 LEU H H 34 8.508 8.086 0.422 1
1 410 . 19 1 1 X 41 41 LEU HA H 34 3.857 3.910 -0.053 1
1 420 . 19 1 1 X 41 41 LEU C C 34 177.633 178.309 -0.676 1
1 421 . 19 1 1 X 41 41 LEU CA C 34 58.428 58.619 -0.191 1
1 422 . 19 1 1 X 41 41 LEU CB C 34 41.755 41.261 0.494 1
1 426 . 19 1 1 X 41 41 LEU N N 34 122.150 122.558 -0.408 1
1 427 . 19 1 1 X 42 42 ASP H H 35 8.236 8.347 -0.111 1
1 428 . 19 1 1 X 42 42 ASP HA H 35 4.370 4.454 -0.084 1
1 431 . 19 1 1 X 42 42 ASP C C 35 179.155 178.912 0.243 1
1 432 . 19 1 1 X 42 42 ASP CA C 35 57.925 57.284 0.641 1
1 433 . 19 1 1 X 42 42 ASP CB C 35 40.417 40.375 0.042 1
1 434 . 19 1 1 X 42 42 ASP N N 35 116.374 118.795 -2.421 1
1 435 . 19 1 1 X 43 43 VAL H H 36 7.320 8.011 -0.691 1
1 436 . 19 1 1 X 43 43 VAL HA H 36 3.782 3.621 0.161 1
1 444 . 19 1 1 X 43 43 VAL C C 36 179.309 178.221 1.088 1
1 445 . 19 1 1 X 43 43 VAL CA C 36 66.080 66.574 -0.494 1
1 446 . 19 1 1 X 43 43 VAL CB C 36 32.245 31.650 0.595 1
1 449 . 19 1 1 X 43 43 VAL N N 36 119.754 121.312 -1.558 1
1 450 . 19 1 1 X 44 44 LEU H H 37 8.122 8.518 -0.396 1
1 451 . 19 1 1 X 44 44 LEU HA H 37 4.008 4.045 -0.037 1
1 461 . 19 1 1 X 44 44 LEU C C 37 179.518 179.324 0.194 1
1 462 . 19 1 1 X 44 44 LEU CA C 37 58.048 57.880 0.168 1
1 463 . 19 1 1 X 44 44 LEU CB C 37 42.374 41.713 0.661 1
1 467 . 19 1 1 X 44 44 LEU N N 37 120.608 118.962 1.646 1
1 468 . 19 1 1 X 45 45 LEU H H 38 8.898 8.344 0.554 1
1 469 . 19 1 1 X 45 45 LEU HA H 38 4.030 3.943 0.087 1
1 479 . 19 1 1 X 45 45 LEU C C 38 179.166 179.508 -0.342 1
1 480 . 19 1 1 X 45 45 LEU CA C 38 58.184 58.285 -0.101 1
1 481 . 19 1 1 X 45 45 LEU CB C 38 41.506 41.633 -0.127 1
1 485 . 19 1 1 X 45 45 LEU N N 38 119.199 118.734 0.465 1
1 486 . 19 1 1 X 46 46 GLU H H 39 7.964 8.078 -0.114 1
1 487 . 19 1 1 X 46 46 GLU HA H 39 4.066 4.052 0.014 1
1 492 . 19 1 1 X 46 46 GLU C C 39 178.995 179.046 -0.051 1
1 493 . 19 1 1 X 46 46 GLU CA C 39 59.769 59.636 0.133 1
1 494 . 19 1 1 X 46 46 GLU CB C 39 29.577 29.306 0.271 1
1 496 . 19 1 1 X 46 46 GLU N N 39 119.334 118.077 1.257 1
1 497 . 19 1 1 X 47 47 HIS H H 40 8.009 8.712 -0.703 1
1 498 . 19 1 1 X 47 47 HIS HA H 40 4.416 4.389 0.027 1
1 503 . 19 1 1 X 47 47 HIS C C 40 176.115 176.904 -0.789 1
1 504 . 19 1 1 X 47 47 HIS CA C 40 60.151 58.842 1.309 1
1 505 . 19 1 1 X 47 47 HIS CB C 40 30.389 30.469 -0.080 1
1 508 . 19 1 1 X 47 47 HIS N N 40 119.610 119.987 -0.377 1
1 509 . 19 1 1 X 48 48 PHE H H 41 8.711 8.516 0.195 1
1 510 . 19 1 1 X 48 48 PHE HA H 41 3.808 4.248 -0.440 1
1 518 . 19 1 1 X 48 48 PHE C C 41 178.023 177.264 0.759 1
1 519 . 19 1 1 X 48 48 PHE CA C 41 62.654 61.435 1.219 1
1 520 . 19 1 1 X 48 48 PHE CB C 41 39.408 39.360 0.048 1
1 526 . 19 1 1 X 48 48 PHE N N 41 118.110 120.258 -2.148 1
1 527 . 19 1 1 X 49 49 VAL H H 42 8.439 8.154 0.285 1
1 528 . 19 1 1 X 49 49 VAL HA H 42 3.359 3.698 -0.339 1
1 536 . 19 1 1 X 49 49 VAL C C 42 178.340 177.518 0.822 1
1 537 . 19 1 1 X 49 49 VAL CA C 42 67.276 64.422 2.854 1
1 538 . 19 1 1 X 49 49 VAL CB C 42 32.235 31.353 0.882 1
1 541 . 19 1 1 X 49 49 VAL N N 42 121.301 118.604 2.697 1
1 542 . 19 1 1 X 50 50 LYS H H 43 8.091 8.713 -0.622 1
1 543 . 19 1 1 X 50 50 LYS HA H 43 3.973 4.012 -0.039 1
1 552 . 19 1 1 X 50 50 LYS C C 43 178.985 178.086 0.899 1
1 553 . 19 1 1 X 50 50 LYS CA C 43 59.580 58.926 0.654 1
1 554 . 19 1 1 X 50 50 LYS CB C 43 32.784 31.792 0.992 1
1 558 . 19 1 1 X 50 50 LYS N N 43 120.887 119.815 1.072 1
1 559 . 19 1 1 X 51 51 ILE H H 44 8.347 7.327 1.020 1
1 560 . 19 1 1 X 51 51 ILE HA H 44 4.159 3.805 0.354 1
1 570 . 19 1 1 X 51 51 ILE C C 44 178.121 177.905 0.216 1
1 571 . 19 1 1 X 51 51 ILE CA C 44 62.328 64.159 -1.831 1
1 572 . 19 1 1 X 51 51 ILE CB C 44 37.576 37.569 0.007 1
1 576 . 19 1 1 X 51 51 ILE N N 44 111.354 116.890 -5.536 1
1 577 . 19 1 1 X 52 52 THR H H 45 7.588 7.612 -0.024 1
1 578 . 19 1 1 X 52 52 THR HA H 45 3.683 4.052 -0.369 1
1 583 . 19 1 1 X 52 52 THR C C 45 176.285 175.433 0.852 1
1 584 . 19 1 1 X 52 52 THR CA C 45 65.803 63.153 2.650 1
1 585 . 19 1 1 X 52 52 THR CB C 45 69.689 69.786 -0.097 1
1 587 . 19 1 1 X 52 52 THR N N 45 109.646 112.564 -2.918 1
1 588 . 19 1 1 X 53 53 GLU H H 46 7.366 7.656 -0.290 1
1 589 . 19 1 1 X 53 53 GLU HA H 46 3.836 4.273 -0.437 1
1 594 . 19 1 1 X 53 53 GLU C C 46 173.418 174.974 -1.556 1
1 595 . 19 1 1 X 53 53 GLU CA C 46 57.709 57.438 0.271 1
1 596 . 19 1 1 X 53 53 GLU CB C 46 29.067 27.250 1.817 1
1 598 . 19 1 1 X 53 53 GLU N N 46 112.606 113.446 -0.840 1
1 599 . 19 1 1 X 54 54 HIS H H 47 7.127 6.981 0.146 1
1 600 . 19 1 1 X 54 54 HIS HA H 47 3.070 3.136 -0.066 1
1 605 . 19 1 1 X 54 54 HIS CA C 47 55.826 54.791 1.035 1
1 606 . 19 1 1 X 54 54 HIS CB C 47 32.124 30.776 1.348 1
1 609 . 19 1 1 X 54 54 HIS N N 47 119.651 120.093 -0.442 1
1 610 . 19 1 1 X 55 55 PRO HA H 48 4.143 4.289 -0.146 1
1 617 . 19 1 1 X 55 55 PRO CA C 48 64.843 64.552 0.291 1
1 618 . 19 1 1 X 55 55 PRO CB C 48 32.350 31.726 0.624 1
1 621 . 19 1 1 X 56 56 ASP H H 49 10.605 7.598 3.007 1
1 622 . 19 1 1 X 56 56 ASP HA H 49 4.712 5.078 -0.366 1
1 625 . 19 1 1 X 56 56 ASP C C 49 178.187 177.340 0.847 1
1 626 . 19 1 1 X 56 56 ASP CA C 49 54.989 53.792 1.197 1
1 627 . 19 1 1 X 56 56 ASP CB C 49 40.657 41.949 -1.292 1
1 628 . 19 1 1 X 56 56 ASP N N 49 121.022 117.676 3.346 1
1 629 . 19 1 1 X 57 57 GLY H H 50 8.011 8.200 -0.189 1
1 630 . 19 1 1 X 57 57 GLY HA2 H 50 4.122 3.906 0.216 1
1 631 . 19 1 1 X 57 57 GLY HA3 H 50 3.701 3.958 -0.257 1
1 632 . 19 1 1 X 57 57 GLY C C 50 175.337 176.055 -0.718 1
1 633 . 19 1 1 X 57 57 GLY CA C 50 47.435 47.543 -0.108 1
1 634 . 19 1 1 X 57 57 GLY N N 50 108.190 109.367 -1.177 1
1 635 . 19 1 1 X 58 58 THR H H 51 9.047 8.262 0.785 1
1 636 . 19 1 1 X 58 58 THR HA H 51 3.730 4.234 -0.504 1
1 641 . 19 1 1 X 58 58 THR C C 51 176.082 176.346 -0.264 1
1 642 . 19 1 1 X 58 58 THR CA C 51 64.795 65.304 -0.509 1
1 643 . 19 1 1 X 58 58 THR CB C 51 68.398 69.032 -0.634 1
1 645 . 19 1 1 X 58 58 THR N N 51 114.996 117.268 -2.272 1
1 646 . 19 1 1 X 59 59 ALA H H 52 8.142 8.155 -0.013 1
1 647 . 19 1 1 X 59 59 ALA HA H 52 4.205 4.254 -0.049 1
1 651 . 19 1 1 X 59 59 ALA C C 52 179.373 180.082 -0.709 1
1 652 . 19 1 1 X 59 59 ALA CA C 52 55.625 55.172 0.453 1
1 653 . 19 1 1 X 59 59 ALA CB C 52 18.416 18.338 0.078 1
1 654 . 19 1 1 X 59 59 ALA N N 52 125.565 123.301 2.264 1
1 655 . 19 1 1 X 60 60 LEU H H 53 7.399 8.278 -0.879 1
1 656 . 19 1 1 X 60 60 LEU HA H 53 3.835 3.884 -0.049 1
1 666 . 19 1 1 X 60 60 LEU C C 53 178.601 178.988 -0.387 1
1 667 . 19 1 1 X 60 60 LEU CA C 53 58.031 58.349 -0.318 1
1 668 . 19 1 1 X 60 60 LEU CB C 53 43.487 41.970 1.517 1
1 672 . 19 1 1 X 60 60 LEU N N 53 114.763 118.725 -3.962 1
1 673 . 19 1 1 X 61 61 ILE H H 54 6.855 7.757 -0.902 1
1 674 . 19 1 1 X 61 61 ILE HA H 54 3.518 3.395 0.123 1
1 684 . 19 1 1 X 61 61 ILE C C 54 178.595 177.610 0.985 1
1 685 . 19 1 1 X 61 61 ILE CA C 54 62.989 64.949 -1.960 1
1 686 . 19 1 1 X 61 61 ILE CB C 54 38.424 37.333 1.091 1
1 690 . 19 1 1 X 61 61 ILE N N 54 114.394 119.772 -5.378 1
1 691 . 19 1 1 X 62 62 TYR H H 55 7.489 7.786 -0.297 1
1 692 . 19 1 1 X 62 62 TYR HA H 55 4.243 4.239 0.004 1
1 699 . 19 1 1 X 62 62 TYR C C 55 178.634 178.856 -0.222 1
1 700 . 19 1 1 X 62 62 TYR CA C 55 61.518 60.551 0.967 1
1 701 . 19 1 1 X 62 62 TYR CB C 55 37.566 37.815 -0.249 1
1 706 . 19 1 1 X 62 62 TYR N N 55 117.898 119.498 -1.600 1
1 707 . 19 1 1 X 63 63 GLU H H 56 8.659 9.114 -0.455 1
1 708 . 19 1 1 X 63 63 GLU HA H 56 4.441 4.126 0.315 1
1 713 . 19 1 1 X 63 63 GLU C C 56 177.785 178.934 -1.149 1
1 714 . 19 1 1 X 63 63 GLU CA C 56 57.658 59.401 -1.743 1
1 715 . 19 1 1 X 63 63 GLU CB C 56 29.034 29.126 -0.092 1
1 717 . 19 1 1 X 63 63 GLU N N 56 119.392 117.904 1.488 1
1 718 . 19 1 1 X 64 64 ALA H H 57 7.164 8.313 -1.149 1
1 719 . 19 1 1 X 64 64 ALA HA H 57 4.021 4.112 -0.091 1
1 723 . 19 1 1 X 64 64 ALA C C 57 180.327 179.996 0.331 1
1 724 . 19 1 1 X 64 64 ALA CA C 57 55.759 54.935 0.824 1
1 725 . 19 1 1 X 64 64 ALA CB C 57 18.615 18.145 0.470 1
1 726 . 19 1 1 X 64 64 ALA N N 57 121.778 122.433 -0.655 1
1 727 . 19 1 1 X 65 65 ALA H H 58 8.076 8.228 -0.152 1
1 728 . 19 1 1 X 65 65 ALA HA H 58 4.137 4.009 0.128 1
1 732 . 19 1 1 X 65 65 ALA C C 58 180.248 179.450 0.798 1
1 733 . 19 1 1 X 65 65 ALA CA C 58 55.104 54.958 0.146 1
1 734 . 19 1 1 X 65 65 ALA CB C 58 18.071 18.338 -0.267 1
1 735 . 19 1 1 X 65 65 ALA N N 58 120.307 120.013 0.294 1
1 736 . 19 1 1 X 66 66 ALA H H 59 7.893 7.879 0.014 1
1 737 . 19 1 1 X 66 66 ALA HA H 59 4.170 4.061 0.109 1
1 741 . 19 1 1 X 66 66 ALA C C 59 180.838 179.583 1.255 1
1 742 . 19 1 1 X 66 66 ALA CA C 59 54.800 55.172 -0.372 1
1 743 . 19 1 1 X 66 66 ALA CB C 59 18.184 17.740 0.444 1
1 744 . 19 1 1 X 66 66 ALA N N 59 122.126 119.221 2.905 1
1 745 . 19 1 1 X 67 67 ARG H H 60 8.139 8.721 -0.582 1
1 746 . 19 1 1 X 67 67 ARG HA H 60 4.065 4.009 0.056 1
1 753 . 19 1 1 X 67 67 ARG C C 60 178.779 178.287 0.492 1
1 754 . 19 1 1 X 67 67 ARG CA C 60 59.282 59.779 -0.497 1
1 755 . 19 1 1 X 67 67 ARG CB C 60 30.863 29.878 0.985 1
1 758 . 19 1 1 X 67 67 ARG N N 60 118.948 117.812 1.136 1
1 759 . 19 1 1 X 68 68 ALA H H 61 7.891 8.162 -0.271 1
1 760 . 19 1 1 X 68 68 ALA HA H 61 4.141 4.129 0.012 1
1 764 . 19 1 1 X 68 68 ALA C C 61 179.329 179.571 -0.242 1
1 765 . 19 1 1 X 68 68 ALA CA C 61 54.340 54.736 -0.396 1
1 766 . 19 1 1 X 68 68 ALA CB C 61 18.528 18.414 0.114 1
1 767 . 19 1 1 X 68 68 ALA N N 61 121.473 122.172 -0.699 1
1 768 . 19 1 1 X 69 69 ALA H H 62 7.663 8.147 -0.484 1
1 769 . 19 1 1 X 69 69 ALA HA H 62 4.133 4.114 0.019 1
1 773 . 19 1 1 X 69 69 ALA C C 62 178.591 179.324 -0.733 1
1 774 . 19 1 1 X 69 69 ALA CA C 62 53.863 55.010 -1.147 1
1 775 . 19 1 1 X 69 69 ALA CB C 62 18.438 18.346 0.092 1
1 776 . 19 1 1 X 69 69 ALA N N 62 118.937 120.450 -1.513 1
1 777 . 19 1 1 X 70 70 ALA H H 63 7.488 7.902 -0.414 1
1 778 . 19 1 1 X 70 70 ALA HA H 63 4.280 4.077 0.203 1
1 782 . 19 1 1 X 70 70 ALA C C 63 177.318 177.686 -0.368 1
1 783 . 19 1 1 X 70 70 ALA CA C 63 52.981 54.960 -1.979 1
1 784 . 19 1 1 X 70 70 ALA CB C 63 19.324 19.030 0.294 1
1 785 . 19 1 1 X 70 70 ALA N N 63 118.642 118.085 0.557 1
1 786 . 19 1 1 X 71 71 ASN H H 64 7.631 8.418 -0.787 1
1 787 . 19 1 1 X 71 71 ASN HA H 64 5.077 4.576 0.501 1
1 792 . 19 1 1 X 71 71 ASN CA C 64 50.877 53.945 -3.068 1
1 793 . 19 1 1 X 71 71 ASN CB C 64 39.243 36.838 2.405 1
1 795 . 19 1 1 X 71 71 ASN N N 64 116.008 115.599 0.409 1
1 797 . 19 1 1 X 72 72 PRO HA H 65 4.468 4.452 0.016 1
1 804 . 19 1 1 X 72 72 PRO CA C 65 64.454 64.105 0.349 1
1 805 . 19 1 1 X 72 72 PRO CB C 65 32.007 32.186 -0.179 1
1 808 . 19 1 1 X 73 73 GLY H H 66 8.608 7.612 0.996 1
1 809 . 19 1 1 X 73 73 GLY HA2 H 66 3.978 4.068 -0.090 1
1 810 . 19 1 1 X 73 73 GLY HA3 H 66 3.978 4.070 -0.092 1
1 811 . 19 1 1 X 73 73 GLY C C 66 175.054 173.980 1.074 1
1 812 . 19 1 1 X 73 73 GLY CA C 66 45.521 44.076 1.445 1
1 813 . 19 1 1 X 73 73 GLY N N 66 109.435 106.772 2.663 1
1 814 . 19 1 1 X 74 74 GLY H H 67 8.085 8.592 -0.507 1
1 815 . 19 1 1 X 74 74 GLY HA2 H 67 4.132 3.832 0.300 1
1 816 . 19 1 1 X 74 74 GLY HA3 H 67 3.896 3.833 0.063 1
1 817 . 19 1 1 X 74 74 GLY C C 67 174.008 174.238 -0.230 1
1 818 . 19 1 1 X 74 74 GLY CA C 67 45.450 47.340 -1.890 1
1 819 . 19 1 1 X 74 74 GLY N N 67 108.472 108.470 0.002 1
1 820 . 19 1 1 X 75 75 ASP H H 68 8.307 8.295 0.012 1
1 821 . 19 1 1 X 75 75 ASP HA H 68 4.646 4.821 -0.175 1
1 824 . 19 1 1 X 75 75 ASP C C 68 176.933 176.178 0.755 1
1 825 . 19 1 1 X 75 75 ASP CA C 68 54.226 53.896 0.330 1
1 826 . 19 1 1 X 75 75 ASP CB C 68 41.486 42.023 -0.537 1
1 827 . 19 1 1 X 75 75 ASP N N 68 119.941 125.911 -5.970 1
1 828 . 19 1 1 X 76 76 GLY H H 69 8.502 7.861 0.641 1
1 829 . 19 1 1 X 76 76 GLY HA2 H 69 3.966 3.874 0.092 1
1 830 . 19 1 1 X 76 76 GLY HA3 H 69 3.951 3.876 0.075 1
1 831 . 19 1 1 X 76 76 GLY C C 69 174.771 174.780 -0.009 1
1 832 . 19 1 1 X 76 76 GLY CA C 69 45.744 47.050 -1.306 1
1 833 . 19 1 1 X 76 76 GLY N N 69 109.061 108.107 0.954 1
1 834 . 19 1 1 X 77 77 GLY H H 70 8.367 8.208 0.159 1
1 835 . 19 1 1 X 77 77 GLY HA2 H 70 4.092 4.089 0.003 1
1 836 . 19 1 1 X 77 77 GLY HA3 H 70 3.920 4.089 -0.169 1
1 837 . 19 1 1 X 77 77 GLY C C 70 174.782 174.085 0.697 1
1 838 . 19 1 1 X 77 77 GLY CA C 70 45.327 44.317 1.010 1
1 839 . 19 1 1 X 77 77 GLY N N 70 108.393 113.084 -4.691 1
1 840 . 19 1 1 X 78 78 GLY H H 71 8.263 8.015 0.248 1
1 841 . 19 1 1 X 78 78 GLY HA2 H 71 4.205 4.086 0.119 1
1 842 . 19 1 1 X 78 78 GLY HA3 H 71 4.092 4.097 -0.005 1
1 843 . 19 1 1 X 78 78 GLY CA C 71 45.581 44.730 0.851 1
1 844 . 19 1 1 X 78 78 GLY N N 71 108.388 107.619 0.769 1
1 845 . 19 1 1 X 79 79 PRO HA H 72 4.199 4.228 -0.029 1
1 852 . 19 1 1 X 79 79 PRO C C 72 178.000 178.199 -0.199 1
1 853 . 19 1 1 X 79 79 PRO CA C 72 65.568 65.080 0.488 1
1 854 . 19 1 1 X 79 79 PRO CB C 72 32.864 32.118 0.746 1
1 857 . 19 1 1 X 80 80 GLU H H 73 9.283 8.551 0.732 1
1 858 . 19 1 1 X 80 80 GLU HA H 73 3.833 4.145 -0.312 1
1 863 . 19 1 1 X 80 80 GLU C C 73 179.587 177.796 1.791 1
1 864 . 19 1 1 X 80 80 GLU CA C 73 61.125 57.876 3.249 1
1 865 . 19 1 1 X 80 80 GLU CB C 73 28.576 29.133 -0.557 1
1 867 . 19 1 1 X 80 80 GLU N N 73 117.078 116.519 0.559 1
1 868 . 19 1 1 X 81 81 GLY H H 74 7.926 7.944 -0.018 1
1 869 . 19 1 1 X 81 81 GLY HA2 H 74 3.964 4.009 -0.045 1
1 870 . 19 1 1 X 81 81 GLY HA3 H 74 3.914 4.016 -0.102 1
1 871 . 19 1 1 X 81 81 GLY C C 74 176.538 175.392 1.146 1
1 872 . 19 1 1 X 81 81 GLY CA C 74 47.084 45.438 1.646 1
1 873 . 19 1 1 X 81 81 GLY N N 74 108.577 108.313 0.264 1
1 874 . 19 1 1 X 82 82 ILE H H 75 7.593 7.590 0.003 1
1 875 . 19 1 1 X 82 82 ILE HA H 75 3.873 3.844 0.029 1
1 885 . 19 1 1 X 82 82 ILE C C 75 178.147 177.952 0.195 1
1 886 . 19 1 1 X 82 82 ILE CA C 75 65.342 64.697 0.645 1
1 887 . 19 1 1 X 82 82 ILE CB C 75 38.163 37.644 0.519 1
1 891 . 19 1 1 X 82 82 ILE N N 75 123.572 122.067 1.505 1
1 892 . 19 1 1 X 83 83 VAL H H 76 8.135 7.731 0.404 1
1 893 . 19 1 1 X 83 83 VAL HA H 76 3.575 4.099 -0.524 1
1 901 . 19 1 1 X 83 83 VAL C C 76 177.094 178.136 -1.042 1
1 902 . 19 1 1 X 83 83 VAL CA C 76 68.153 65.578 2.575 1
1 903 . 19 1 1 X 83 83 VAL CB C 76 31.653 31.244 0.409 1
1 906 . 19 1 1 X 83 83 VAL N N 76 118.553 120.982 -2.429 1
1 907 . 19 1 1 X 84 84 LYS H H 77 7.803 8.122 -0.319 1
1 908 . 19 1 1 X 84 84 LYS HA H 77 4.006 4.028 -0.022 1
1 917 . 19 1 1 X 84 84 LYS C C 77 178.064 178.809 -0.745 1
1 918 . 19 1 1 X 84 84 LYS CA C 77 60.516 59.528 0.988 1
1 919 . 19 1 1 X 84 84 LYS CB C 77 32.849 32.429 0.420 1
1 923 . 19 1 1 X 84 84 LYS N N 77 119.572 121.167 -1.595 1
1 924 . 19 1 1 X 85 85 GLU H H 78 7.629 7.825 -0.196 1
1 925 . 19 1 1 X 85 85 GLU HA H 78 4.246 4.149 0.097 1
1 930 . 19 1 1 X 85 85 GLU C C 78 179.834 179.481 0.353 1
1 931 . 19 1 1 X 85 85 GLU CA C 78 59.752 59.270 0.482 1
1 932 . 19 1 1 X 85 85 GLU CB C 78 29.189 29.447 -0.258 1
1 934 . 19 1 1 X 85 85 GLU N N 78 118.366 118.277 0.089 1
1 935 . 19 1 1 X 86 86 ILE H H 79 8.432 8.066 0.366 1
1 936 . 19 1 1 X 86 86 ILE HA H 79 3.781 3.799 -0.018 1
1 946 . 19 1 1 X 86 86 ILE C C 79 177.578 178.268 -0.690 1
1 947 . 19 1 1 X 86 86 ILE CA C 79 65.454 64.963 0.491 1
1 948 . 19 1 1 X 86 86 ILE CB C 79 37.940 38.027 -0.087 1
1 952 . 19 1 1 X 86 86 ILE N N 79 118.975 120.611 -1.636 1
1 953 . 19 1 1 X 87 87 LYS H H 80 9.096 8.937 0.159 1
1 954 . 19 1 1 X 87 87 LYS HA H 80 3.958 4.251 -0.293 1
1 963 . 19 1 1 X 87 87 LYS C C 80 180.285 178.534 1.751 1
1 964 . 19 1 1 X 87 87 LYS CA C 80 60.290 59.268 1.022 1
1 965 . 19 1 1 X 87 87 LYS CB C 80 33.299 32.168 1.131 1
1 969 . 19 1 1 X 87 87 LYS N N 80 119.805 120.627 -0.822 1
1 970 . 19 1 1 X 88 88 GLU H H 81 8.508 7.831 0.677 1
1 971 . 19 1 1 X 88 88 GLU HA H 81 4.099 4.122 -0.023 1
1 976 . 19 1 1 X 88 88 GLU C C 81 179.195 178.885 0.310 1
1 977 . 19 1 1 X 88 88 GLU CA C 81 59.632 59.161 0.471 1
1 978 . 19 1 1 X 88 88 GLU CB C 81 29.649 29.390 0.259 1
1 980 . 19 1 1 X 88 88 GLU N N 81 118.920 119.311 -0.391 1
1 981 . 19 1 1 X 89 89 TRP H H 82 8.682 8.129 0.553 1
1 982 . 19 1 1 X 89 89 TRP HA H 82 4.201 4.316 -0.115 1
1 991 . 19 1 1 X 89 89 TRP C C 82 179.807 177.908 1.899 1
1 992 . 19 1 1 X 89 89 TRP CA C 82 63.110 60.795 2.315 1
1 993 . 19 1 1 X 89 89 TRP CB C 82 29.285 29.652 -0.367 1
1 999 . 19 1 1 X 89 89 TRP N N 82 122.152 121.972 0.180 1
1 1001 . 19 1 1 X 90 90 ARG H H 83 9.025 9.099 -0.074 1
1 1002 . 19 1 1 X 90 90 ARG HA H 83 3.295 3.998 -0.703 1
1 1009 . 19 1 1 X 90 90 ARG C C 83 178.120 178.034 0.086 1
1 1010 . 19 1 1 X 90 90 ARG CA C 83 60.895 59.801 1.094 1
1 1011 . 19 1 1 X 90 90 ARG CB C 83 28.668 29.665 -0.997 1
1 1014 . 19 1 1 X 90 90 ARG N N 83 118.380 119.710 -1.330 1
1 1015 . 19 1 1 X 91 91 ALA H H 84 7.759 7.997 -0.238 1
1 1016 . 19 1 1 X 91 91 ALA HA H 84 4.151 4.143 0.008 1
1 1020 . 19 1 1 X 91 91 ALA C C 84 181.466 179.886 1.580 1
1 1021 . 19 1 1 X 91 91 ALA CA C 84 55.217 54.995 0.222 1
1 1022 . 19 1 1 X 91 91 ALA CB C 84 18.175 18.124 0.051 1
1 1023 . 19 1 1 X 91 91 ALA N N 84 120.210 120.665 -0.455 1
1 1024 . 19 1 1 X 92 92 ALA H H 85 7.943 8.001 -0.058 1
1 1025 . 19 1 1 X 92 92 ALA HA H 85 4.081 4.014 0.067 1
1 1029 . 19 1 1 X 92 92 ALA C C 85 178.324 179.127 -0.803 1
1 1030 . 19 1 1 X 92 92 ALA CA C 85 54.244 55.148 -0.904 1
1 1031 . 19 1 1 X 92 92 ALA CB C 85 18.306 17.860 0.446 1
1 1032 . 19 1 1 X 92 92 ALA N N 85 120.470 119.868 0.602 1
1 1033 . 19 1 1 X 93 93 ASN H H 86 7.005 8.299 -1.294 1
1 1034 . 19 1 1 X 93 93 ASN HA H 86 4.475 4.372 0.103 1
1 1039 . 19 1 1 X 93 93 ASN C C 86 174.108 175.293 -1.185 1
1 1040 . 19 1 1 X 93 93 ASN CA C 86 53.347 53.369 -0.022 1
1 1041 . 19 1 1 X 93 93 ASN CB C 86 39.379 38.393 0.986 1
1 1043 . 19 1 1 X 93 93 ASN N N 86 113.372 113.831 -0.459 1
1 1045 . 19 1 1 X 94 94 GLY H H 87 7.535 7.697 -0.162 1
1 1046 . 19 1 1 X 94 94 GLY HA2 H 87 3.810 3.911 -0.101 1
1 1047 . 19 1 1 X 94 94 GLY HA3 H 87 3.810 3.923 -0.113 1
1 1048 . 19 1 1 X 94 94 GLY C C 87 174.481 173.997 0.484 1
1 1049 . 19 1 1 X 94 94 GLY CA C 87 47.230 45.459 1.771 1
1 1050 . 19 1 1 X 94 94 GLY N N 87 108.152 107.178 0.974 1
1 1051 . 19 1 1 X 95 95 LYS H H 88 8.037 8.302 -0.265 1
1 1052 . 19 1 1 X 95 95 LYS HA H 88 4.654 4.728 -0.074 1
1 1061 . 19 1 1 X 95 95 LYS CA C 88 53.357 52.963 0.394 1
1 1062 . 19 1 1 X 95 95 LYS CB C 88 32.741 33.394 -0.653 1
1 1066 . 19 1 1 X 95 95 LYS N N 88 119.147 120.240 -1.093 1
1 1067 . 19 1 1 X 96 96 PRO HA H 89 4.275 4.495 -0.220 1
1 1074 . 19 1 1 X 96 96 PRO C C 89 176.696 176.456 0.240 1
1 1075 . 19 1 1 X 96 96 PRO CA C 89 63.482 62.874 0.608 1
1 1076 . 19 1 1 X 96 96 PRO CB C 89 32.981 32.310 0.671 1
1 1079 . 19 1 1 X 97 97 GLY H H 90 8.336 8.305 0.031 1
1 1080 . 19 1 1 X 97 97 GLY HA2 H 90 4.074 3.773 0.301 1
1 1081 . 19 1 1 X 97 97 GLY HA3 H 90 3.615 3.927 -0.312 1
1 1082 . 19 1 1 X 97 97 GLY C C 90 173.388 173.256 0.132 1
1 1083 . 19 1 1 X 97 97 GLY CA C 90 43.347 44.288 -0.941 1
1 1084 . 19 1 1 X 97 97 GLY N N 90 110.343 107.626 2.717 1
1 1085 . 19 1 1 X 98 98 PHE H H 91 7.749 8.383 -0.634 1
1 1086 . 19 1 1 X 98 98 PHE HA H 91 4.527 4.852 -0.325 1
1 1094 . 19 1 1 X 98 98 PHE C C 91 177.021 175.830 1.191 1
1 1095 . 19 1 1 X 98 98 PHE CA C 91 59.184 58.179 1.005 1
1 1096 . 19 1 1 X 98 98 PHE CB C 91 40.005 39.694 0.311 1
1 1102 . 19 1 1 X 98 98 PHE N N 91 116.151 120.923 -4.772 1
1 1103 . 19 1 1 X 99 99 LYS H H 92 8.531 8.743 -0.212 1
1 1104 . 19 1 1 X 99 99 LYS HA H 92 4.178 4.439 -0.261 1
1 1113 . 19 1 1 X 99 99 LYS C C 92 176.542 176.149 0.393 1
1 1114 . 19 1 1 X 99 99 LYS CA C 92 57.292 55.627 1.665 1
1 1115 . 19 1 1 X 99 99 LYS CB C 92 32.875 33.386 -0.511 1
1 1119 . 19 1 1 X 99 99 LYS N N 92 123.602 120.483 3.119 1
1 1120 . 19 1 1 X 100 100 GLN H H 93 8.633 8.581 0.052 1
1 1121 . 19 1 1 X 100 100 GLN HA H 93 4.297 4.712 -0.415 1
1 1128 . 19 1 1 X 100 100 GLN C C 93 175.318 175.842 -0.524 1
1 1129 . 19 1 1 X 100 100 GLN CA C 93 56.479 55.520 0.959 1
1 1130 . 19 1 1 X 100 100 GLN CB C 93 29.751 30.067 -0.316 1
1 1133 . 19 1 1 X 100 100 GLN N N 93 125.089 119.937 5.152 1
1 12 . 20 1 1 X 10 10 LEU H H 3 8.121 8.616 -0.495 1
1 13 . 20 1 1 X 10 10 LEU HA H 3 4.240 5.427 -1.187 1
1 23 . 20 1 1 X 10 10 LEU C C 3 176.909 176.335 0.574 1
1 24 . 20 1 1 X 10 10 LEU CA C 3 54.748 53.764 0.984 1
1 25 . 20 1 1 X 10 10 LEU CB C 3 41.272 43.091 -1.819 1
1 29 . 20 1 1 X 10 10 LEU N N 3 123.688 126.271 -2.583 1
1 30 . 20 1 1 X 11 11 LYS H H 4 7.677 8.763 -1.086 1
1 31 . 20 1 1 X 11 11 LYS HA H 4 4.404 4.559 -0.155 1
1 40 . 20 1 1 X 11 11 LYS C C 4 176.184 176.718 -0.534 1
1 41 . 20 1 1 X 11 11 LYS CA C 4 55.828 54.453 1.375 1
1 42 . 20 1 1 X 11 11 LYS CB C 4 33.482 34.226 -0.744 1
1 46 . 20 1 1 X 11 11 LYS N N 4 122.221 122.625 -0.404 1
1 47 . 20 1 1 X 12 12 ASN H H 5 8.538 8.752 -0.214 1
1 48 . 20 1 1 X 12 12 ASN HA H 5 4.685 5.056 -0.371 1
1 53 . 20 1 1 X 12 12 ASN C C 5 174.925 174.587 0.338 1
1 54 . 20 1 1 X 12 12 ASN CA C 5 55.721 53.581 2.140 1
1 55 . 20 1 1 X 12 12 ASN CB C 5 40.409 40.260 0.149 1
1 57 . 20 1 1 X 12 12 ASN N N 5 116.610 118.049 -1.439 1
1 59 . 20 1 1 X 13 13 SER H H 6 8.144 7.595 0.549 1
1 60 . 20 1 1 X 13 13 SER HA H 6 4.819 4.674 0.145 1
1 63 . 20 1 1 X 13 13 SER C C 6 175.123 174.804 0.319 1
1 64 . 20 1 1 X 13 13 SER CA C 6 56.778 56.176 0.602 1
1 65 . 20 1 1 X 13 13 SER CB C 6 65.949 66.176 -0.227 1
1 66 . 20 1 1 X 13 13 SER N N 6 112.138 110.148 1.990 1
1 67 . 20 1 1 X 14 14 ILE H H 7 9.318 8.663 0.655 1
1 68 . 20 1 1 X 14 14 ILE HA H 7 3.966 3.994 -0.028 1
1 78 . 20 1 1 X 14 14 ILE C C 7 175.537 177.576 -2.039 1
1 79 . 20 1 1 X 14 14 ILE CA C 7 64.956 63.318 1.638 1
1 80 . 20 1 1 X 14 14 ILE CB C 7 37.062 37.823 -0.761 1
1 84 . 20 1 1 X 14 14 ILE N N 7 126.034 124.202 1.832 1
1 85 . 20 1 1 X 15 15 SER H H 8 7.504 7.947 -0.443 1
1 86 . 20 1 1 X 15 15 SER HA H 8 4.694 4.245 0.449 1
1 89 . 20 1 1 X 15 15 SER C C 8 174.278 175.538 -1.260 1
1 90 . 20 1 1 X 15 15 SER CA C 8 59.481 60.800 -1.319 1
1 91 . 20 1 1 X 15 15 SER CB C 8 63.241 62.818 0.423 1
1 92 . 20 1 1 X 15 15 SER N N 8 112.517 117.095 -4.578 1
1 93 . 20 1 1 X 16 16 ASP H H 9 7.783 7.383 0.400 1
1 94 . 20 1 1 X 16 16 ASP HA H 9 4.791 4.677 0.114 1
1 97 . 20 1 1 X 16 16 ASP C C 9 175.976 176.319 -0.343 1
1 98 . 20 1 1 X 16 16 ASP CA C 9 55.243 54.391 0.852 1
1 99 . 20 1 1 X 16 16 ASP CB C 9 43.327 41.423 1.904 1
1 100 . 20 1 1 X 16 16 ASP N N 9 117.795 120.396 -2.601 1
1 101 . 20 1 1 X 17 17 TYR H H 10 8.279 7.832 0.447 1
1 102 . 20 1 1 X 17 17 TYR HA H 10 4.962 4.690 0.272 1
1 109 . 20 1 1 X 17 17 TYR C C 10 177.535 176.029 1.506 1
1 110 . 20 1 1 X 17 17 TYR CA C 10 58.573 58.829 -0.256 1
1 111 . 20 1 1 X 17 17 TYR CB C 10 41.015 38.469 2.546 1
1 116 . 20 1 1 X 17 17 TYR N N 10 120.484 117.739 2.745 1
1 117 . 20 1 1 X 18 18 THR H H 11 8.796 8.781 0.015 1
1 118 . 20 1 1 X 18 18 THR HA H 11 5.040 5.238 -0.198 1
1 123 . 20 1 1 X 18 18 THR C C 11 176.099 175.989 0.110 1
1 124 . 20 1 1 X 18 18 THR CA C 11 60.775 60.673 0.102 1
1 125 . 20 1 1 X 18 18 THR CB C 11 71.041 70.894 0.147 1
1 127 . 20 1 1 X 18 18 THR N N 11 112.143 117.502 -5.359 1
1 128 . 20 1 1 X 19 19 GLU H H 12 9.173 9.086 0.087 1
1 129 . 20 1 1 X 19 19 GLU HA H 12 2.757 3.531 -0.774 1
1 134 . 20 1 1 X 19 19 GLU C C 12 178.378 178.394 -0.016 1
1 135 . 20 1 1 X 19 19 GLU CA C 12 60.906 59.137 1.769 1
1 136 . 20 1 1 X 19 19 GLU CB C 12 29.442 28.998 0.444 1
1 138 . 20 1 1 X 19 19 GLU N N 12 122.386 121.215 1.171 1
1 139 . 20 1 1 X 20 20 ALA H H 13 8.356 8.253 0.103 1
1 140 . 20 1 1 X 20 20 ALA HA H 13 4.069 4.127 -0.058 1
1 144 . 20 1 1 X 20 20 ALA C C 13 181.816 179.759 2.057 1
1 145 . 20 1 1 X 20 20 ALA CA C 13 55.388 54.930 0.458 1
1 146 . 20 1 1 X 20 20 ALA CB C 13 18.308 18.427 -0.119 1
1 147 . 20 1 1 X 20 20 ALA N N 13 118.695 122.102 -3.407 1
1 148 . 20 1 1 X 21 21 GLU H H 14 8.013 8.012 0.001 1
1 149 . 20 1 1 X 21 21 GLU HA H 14 4.131 4.170 -0.039 1
1 154 . 20 1 1 X 21 21 GLU C C 14 179.649 179.305 0.344 1
1 155 . 20 1 1 X 21 21 GLU CA C 14 58.916 58.954 -0.038 1
1 156 . 20 1 1 X 21 21 GLU CB C 14 31.632 29.578 2.054 1
1 158 . 20 1 1 X 21 21 GLU N N 14 118.978 119.263 -0.285 1
1 159 . 20 1 1 X 22 22 PHE H H 15 8.635 8.268 0.367 1
1 160 . 20 1 1 X 22 22 PHE HA H 15 4.049 4.210 -0.161 1
1 167 . 20 1 1 X 22 22 PHE C C 15 177.402 177.495 -0.093 1
1 168 . 20 1 1 X 22 22 PHE CA C 15 62.183 61.262 0.921 1
1 169 . 20 1 1 X 22 22 PHE CB C 15 40.545 38.929 1.616 1
1 174 . 20 1 1 X 22 22 PHE N N 15 124.639 122.516 2.123 1
1 175 . 20 1 1 X 23 23 VAL H H 16 8.647 8.249 0.398 1
1 176 . 20 1 1 X 23 23 VAL HA H 16 3.416 3.652 -0.236 1
1 184 . 20 1 1 X 23 23 VAL C C 16 177.798 177.761 0.037 1
1 185 . 20 1 1 X 23 23 VAL CA C 16 67.917 66.338 1.579 1
1 186 . 20 1 1 X 23 23 VAL CB C 16 31.579 31.167 0.412 1
1 189 . 20 1 1 X 23 23 VAL N N 16 119.817 118.543 1.274 1
1 190 . 20 1 1 X 24 24 GLN H H 17 7.569 8.108 -0.539 1
1 191 . 20 1 1 X 24 24 GLN HA H 17 3.943 3.964 -0.021 1
1 198 . 20 1 1 X 24 24 GLN C C 17 178.313 178.098 0.215 1
1 199 . 20 1 1 X 24 24 GLN CA C 17 59.289 59.011 0.278 1
1 200 . 20 1 1 X 24 24 GLN CB C 17 27.814 28.086 -0.272 1
1 203 . 20 1 1 X 24 24 GLN N N 17 117.658 121.007 -3.349 1
1 205 . 20 1 1 X 25 25 LEU H H 18 7.512 7.633 -0.121 1
1 206 . 20 1 1 X 25 25 LEU HA H 18 4.136 4.064 0.072 1
1 216 . 20 1 1 X 25 25 LEU C C 18 178.440 178.224 0.216 1
1 217 . 20 1 1 X 25 25 LEU CA C 18 58.651 58.096 0.555 1
1 218 . 20 1 1 X 25 25 LEU CB C 18 40.626 41.298 -0.672 1
1 222 . 20 1 1 X 25 25 LEU N N 18 122.037 121.085 0.952 1
1 223 . 20 1 1 X 26 26 LEU H H 19 7.761 8.263 -0.502 1
1 224 . 20 1 1 X 26 26 LEU HA H 19 3.748 3.627 0.121 1
1 234 . 20 1 1 X 26 26 LEU C C 19 180.080 179.056 1.024 1
1 235 . 20 1 1 X 26 26 LEU CA C 19 58.041 57.508 0.533 1
1 236 . 20 1 1 X 26 26 LEU CB C 19 41.009 40.979 0.030 1
1 240 . 20 1 1 X 26 26 LEU N N 19 118.502 118.205 0.297 1
1 241 . 20 1 1 X 27 27 LYS H H 20 8.357 8.052 0.305 1
1 242 . 20 1 1 X 27 27 LYS HA H 20 4.019 3.908 0.111 1
1 251 . 20 1 1 X 27 27 LYS C C 20 179.559 179.708 -0.149 1
1 252 . 20 1 1 X 27 27 LYS CA C 20 59.648 59.936 -0.288 1
1 253 . 20 1 1 X 27 27 LYS CB C 20 31.995 31.966 0.029 1
1 257 . 20 1 1 X 27 27 LYS N N 20 120.427 118.340 2.087 1
1 258 . 20 1 1 X 28 28 GLU H H 21 8.123 7.680 0.443 1
1 259 . 20 1 1 X 28 28 GLU HA H 21 4.082 4.026 0.056 1
1 264 . 20 1 1 X 28 28 GLU C C 21 179.063 179.416 -0.353 1
1 265 . 20 1 1 X 28 28 GLU CA C 21 59.406 59.213 0.193 1
1 266 . 20 1 1 X 28 28 GLU CB C 21 29.146 29.341 -0.195 1
1 268 . 20 1 1 X 28 28 GLU N N 21 122.374 119.894 2.480 1
1 269 . 20 1 1 X 29 29 ILE H H 22 8.049 7.753 0.296 1
1 270 . 20 1 1 X 29 29 ILE HA H 22 3.343 3.709 -0.366 1
1 280 . 20 1 1 X 29 29 ILE C C 22 177.151 177.714 -0.563 1
1 281 . 20 1 1 X 29 29 ILE CA C 22 66.435 65.204 1.231 1
1 282 . 20 1 1 X 29 29 ILE CB C 22 37.954 37.310 0.644 1
1 286 . 20 1 1 X 29 29 ILE N N 22 120.195 121.223 -1.028 1
1 287 . 20 1 1 X 30 30 GLU H H 23 7.820 7.999 -0.179 1
1 288 . 20 1 1 X 30 30 GLU HA H 23 3.983 3.777 0.206 1
1 293 . 20 1 1 X 30 30 GLU C C 23 178.990 179.168 -0.178 1
1 294 . 20 1 1 X 30 30 GLU CA C 23 59.460 59.850 -0.390 1
1 295 . 20 1 1 X 30 30 GLU CB C 23 30.012 29.427 0.585 1
1 297 . 20 1 1 X 30 30 GLU N N 23 118.917 119.069 -0.152 1
1 298 . 20 1 1 X 31 31 LYS H H 24 7.678 7.648 0.030 1
1 299 . 20 1 1 X 31 31 LYS HA H 24 4.059 3.945 0.114 1
1 308 . 20 1 1 X 31 31 LYS C C 24 179.231 178.884 0.347 1
1 309 . 20 1 1 X 31 31 LYS CA C 24 59.152 59.798 -0.646 1
1 310 . 20 1 1 X 31 31 LYS CB C 24 32.712 32.467 0.245 1
1 314 . 20 1 1 X 31 31 LYS N N 24 118.807 119.979 -1.172 1
1 315 . 20 1 1 X 32 32 GLU H H 25 8.182 7.939 0.243 1
1 316 . 20 1 1 X 32 32 GLU HA H 25 4.309 4.108 0.201 1
1 321 . 20 1 1 X 32 32 GLU C C 25 177.897 179.145 -1.248 1
1 322 . 20 1 1 X 32 32 GLU CA C 25 57.449 58.936 -1.487 1
1 323 . 20 1 1 X 32 32 GLU CB C 25 29.522 29.368 0.154 1
1 325 . 20 1 1 X 32 32 GLU N N 25 118.578 117.429 1.149 1
1 326 . 20 1 1 X 33 33 ASN H H 26 8.343 8.470 -0.127 1
1 327 . 20 1 1 X 33 33 ASN HA H 26 4.608 4.463 0.145 1
1 330 . 20 1 1 X 33 33 ASN C C 26 176.524 177.131 -0.607 1
1 331 . 20 1 1 X 33 33 ASN CA C 26 55.463 55.809 -0.346 1
1 332 . 20 1 1 X 33 33 ASN CB C 26 39.074 38.569 0.505 1
1 333 . 20 1 1 X 33 33 ASN N N 26 118.483 118.928 -0.445 1
1 334 . 20 1 1 X 34 34 VAL H H 27 7.434 7.744 -0.310 1
1 335 . 20 1 1 X 34 34 VAL HA H 27 4.182 4.126 0.056 1
1 343 . 20 1 1 X 34 34 VAL C C 27 176.315 176.664 -0.349 1
1 344 . 20 1 1 X 34 34 VAL CA C 27 62.829 63.781 -0.952 1
1 345 . 20 1 1 X 34 34 VAL CB C 27 32.178 31.387 0.791 1
1 348 . 20 1 1 X 34 34 VAL N N 27 114.036 115.553 -1.517 1
1 349 . 20 1 1 X 35 35 ALA H H 28 7.648 7.475 0.173 1
1 350 . 20 1 1 X 35 35 ALA HA H 28 4.346 4.322 0.024 1
1 354 . 20 1 1 X 35 35 ALA C C 28 177.126 176.768 0.358 1
1 355 . 20 1 1 X 35 35 ALA CA C 28 52.712 52.036 0.676 1
1 356 . 20 1 1 X 35 35 ALA CB C 28 19.915 19.672 0.243 1
1 357 . 20 1 1 X 35 35 ALA N N 28 124.066 123.924 0.142 1
1 358 . 20 1 1 X 36 36 ALA H H 29 8.337 8.055 0.282 1
1 359 . 20 1 1 X 36 36 ALA HA H 29 4.260 3.967 0.293 1
1 363 . 20 1 1 X 36 36 ALA C C 29 177.999 176.385 1.614 1
1 364 . 20 1 1 X 36 36 ALA CA C 29 53.660 52.817 0.843 1
1 365 . 20 1 1 X 36 36 ALA CB C 29 19.175 17.826 1.349 1
1 366 . 20 1 1 X 36 36 ALA N N 29 121.695 120.013 1.682 1
1 367 . 20 1 1 X 37 37 THR H H 30 8.093 8.028 0.065 1
1 368 . 20 1 1 X 37 37 THR HA H 30 4.533 4.892 -0.359 1
1 373 . 20 1 1 X 37 37 THR C C 30 174.715 173.811 0.904 1
1 374 . 20 1 1 X 37 37 THR CA C 30 60.860 60.154 0.706 1
1 375 . 20 1 1 X 37 37 THR CB C 30 70.424 71.749 -1.325 1
1 377 . 20 1 1 X 37 37 THR N N 30 110.112 108.465 1.647 1
1 378 . 20 1 1 X 38 38 ASP H H 31 8.488 8.523 -0.035 1
1 379 . 20 1 1 X 38 38 ASP HA H 31 4.685 5.025 -0.340 1
1 382 . 20 1 1 X 38 38 ASP C C 31 175.896 176.932 -1.036 1
1 383 . 20 1 1 X 38 38 ASP CA C 31 54.704 52.995 1.709 1
1 384 . 20 1 1 X 38 38 ASP CB C 31 41.389 41.449 -0.060 1
1 385 . 20 1 1 X 38 38 ASP N N 31 121.899 120.288 1.611 1
1 386 . 20 1 1 X 39 39 ASP H H 32 8.368 8.110 0.258 1
1 387 . 20 1 1 X 39 39 ASP HA H 32 4.459 4.620 -0.161 1
1 390 . 20 1 1 X 39 39 ASP C C 32 177.499 177.908 -0.409 1
1 391 . 20 1 1 X 39 39 ASP CA C 32 56.443 56.204 0.239 1
1 392 . 20 1 1 X 39 39 ASP CB C 32 40.737 41.127 -0.390 1
1 393 . 20 1 1 X 39 39 ASP N N 32 118.770 120.033 -1.263 1
1 394 . 20 1 1 X 40 40 VAL H H 33 7.963 7.977 -0.014 1
1 395 . 20 1 1 X 40 40 VAL HA H 33 3.800 3.848 -0.048 1
1 403 . 20 1 1 X 40 40 VAL C C 33 177.362 177.469 -0.107 1
1 404 . 20 1 1 X 40 40 VAL CA C 33 64.970 64.966 0.004 1
1 405 . 20 1 1 X 40 40 VAL CB C 33 32.256 31.445 0.811 1
1 408 . 20 1 1 X 40 40 VAL N N 33 119.409 119.120 0.289 1
1 409 . 20 1 1 X 41 41 LEU H H 34 8.508 7.781 0.727 1
1 410 . 20 1 1 X 41 41 LEU HA H 34 3.857 4.083 -0.226 1
1 420 . 20 1 1 X 41 41 LEU C C 34 177.633 178.101 -0.468 1
1 421 . 20 1 1 X 41 41 LEU CA C 34 58.428 58.565 -0.137 1
1 422 . 20 1 1 X 41 41 LEU CB C 34 41.755 41.227 0.528 1
1 426 . 20 1 1 X 41 41 LEU N N 34 122.150 122.813 -0.663 1
1 427 . 20 1 1 X 42 42 ASP H H 35 8.236 8.282 -0.046 1
1 428 . 20 1 1 X 42 42 ASP HA H 35 4.370 4.386 -0.016 1
1 431 . 20 1 1 X 42 42 ASP C C 35 179.155 178.958 0.197 1
1 432 . 20 1 1 X 42 42 ASP CA C 35 57.925 57.449 0.476 1
1 433 . 20 1 1 X 42 42 ASP CB C 35 40.417 41.198 -0.781 1
1 434 . 20 1 1 X 42 42 ASP N N 35 116.374 118.774 -2.400 1
1 435 . 20 1 1 X 43 43 VAL H H 36 7.320 7.740 -0.420 1
1 436 . 20 1 1 X 43 43 VAL HA H 36 3.782 3.616 0.166 1
1 444 . 20 1 1 X 43 43 VAL C C 36 179.309 178.177 1.132 1
1 445 . 20 1 1 X 43 43 VAL CA C 36 66.080 66.660 -0.580 1
1 446 . 20 1 1 X 43 43 VAL CB C 36 32.245 31.463 0.782 1
1 449 . 20 1 1 X 43 43 VAL N N 36 119.754 120.107 -0.353 1
1 450 . 20 1 1 X 44 44 LEU H H 37 8.122 8.543 -0.421 1
1 451 . 20 1 1 X 44 44 LEU HA H 37 4.008 4.090 -0.082 1
1 461 . 20 1 1 X 44 44 LEU C C 37 179.518 179.371 0.147 1
1 462 . 20 1 1 X 44 44 LEU CA C 37 58.048 57.861 0.187 1
1 463 . 20 1 1 X 44 44 LEU CB C 37 42.374 41.695 0.679 1
1 467 . 20 1 1 X 44 44 LEU N N 37 120.608 118.899 1.709 1
1 468 . 20 1 1 X 45 45 LEU H H 38 8.898 8.549 0.349 1
1 469 . 20 1 1 X 45 45 LEU HA H 38 4.030 3.928 0.102 1
1 479 . 20 1 1 X 45 45 LEU C C 38 179.166 179.441 -0.275 1
1 480 . 20 1 1 X 45 45 LEU CA C 38 58.184 58.246 -0.062 1
1 481 . 20 1 1 X 45 45 LEU CB C 38 41.506 41.510 -0.004 1
1 485 . 20 1 1 X 45 45 LEU N N 38 119.199 118.813 0.386 1
1 486 . 20 1 1 X 46 46 GLU H H 39 7.964 8.208 -0.244 1
1 487 . 20 1 1 X 46 46 GLU HA H 39 4.066 4.071 -0.005 1
1 492 . 20 1 1 X 46 46 GLU C C 39 178.995 179.070 -0.075 1
1 493 . 20 1 1 X 46 46 GLU CA C 39 59.769 59.650 0.119 1
1 494 . 20 1 1 X 46 46 GLU CB C 39 29.577 29.331 0.246 1
1 496 . 20 1 1 X 46 46 GLU N N 39 119.334 118.261 1.073 1
1 497 . 20 1 1 X 47 47 HIS H H 40 8.009 8.746 -0.737 1
1 498 . 20 1 1 X 47 47 HIS HA H 40 4.416 4.403 0.013 1
1 503 . 20 1 1 X 47 47 HIS C C 40 176.115 176.961 -0.846 1
1 504 . 20 1 1 X 47 47 HIS CA C 40 60.151 58.880 1.271 1
1 505 . 20 1 1 X 47 47 HIS CB C 40 30.389 30.489 -0.100 1
1 508 . 20 1 1 X 47 47 HIS N N 40 119.610 120.007 -0.397 1
1 509 . 20 1 1 X 48 48 PHE H H 41 8.711 8.594 0.117 1
1 510 . 20 1 1 X 48 48 PHE HA H 41 3.808 4.401 -0.593 1
1 518 . 20 1 1 X 48 48 PHE C C 41 178.023 177.366 0.657 1
1 519 . 20 1 1 X 48 48 PHE CA C 41 62.654 61.539 1.115 1
1 520 . 20 1 1 X 48 48 PHE CB C 41 39.408 39.466 -0.058 1
1 526 . 20 1 1 X 48 48 PHE N N 41 118.110 120.318 -2.208 1
1 527 . 20 1 1 X 49 49 VAL H H 42 8.439 8.237 0.202 1
1 528 . 20 1 1 X 49 49 VAL HA H 42 3.359 3.878 -0.519 1
1 536 . 20 1 1 X 49 49 VAL C C 42 178.340 177.464 0.876 1
1 537 . 20 1 1 X 49 49 VAL CA C 42 67.276 64.525 2.751 1
1 538 . 20 1 1 X 49 49 VAL CB C 42 32.235 31.475 0.760 1
1 541 . 20 1 1 X 49 49 VAL N N 42 121.301 118.739 2.562 1
1 542 . 20 1 1 X 50 50 LYS H H 43 8.091 8.711 -0.620 1
1 543 . 20 1 1 X 50 50 LYS HA H 43 3.973 4.026 -0.053 1
1 552 . 20 1 1 X 50 50 LYS C C 43 178.985 178.303 0.682 1
1 553 . 20 1 1 X 50 50 LYS CA C 43 59.580 58.959 0.621 1
1 554 . 20 1 1 X 50 50 LYS CB C 43 32.784 31.967 0.817 1
1 558 . 20 1 1 X 50 50 LYS N N 43 120.887 119.808 1.079 1
1 559 . 20 1 1 X 51 51 ILE H H 44 8.347 7.325 1.022 1
1 560 . 20 1 1 X 51 51 ILE HA H 44 4.159 3.805 0.354 1
1 570 . 20 1 1 X 51 51 ILE C C 44 178.121 177.795 0.326 1
1 571 . 20 1 1 X 51 51 ILE CA C 44 62.328 64.231 -1.903 1
1 572 . 20 1 1 X 51 51 ILE CB C 44 37.576 37.107 0.469 1
1 576 . 20 1 1 X 51 51 ILE N N 44 111.354 116.594 -5.240 1
1 577 . 20 1 1 X 52 52 THR H H 45 7.588 7.478 0.110 1
1 578 . 20 1 1 X 52 52 THR HA H 45 3.683 4.057 -0.374 1
1 583 . 20 1 1 X 52 52 THR C C 45 176.285 175.247 1.038 1
1 584 . 20 1 1 X 52 52 THR CA C 45 65.803 63.145 2.658 1
1 585 . 20 1 1 X 52 52 THR CB C 45 69.689 69.783 -0.094 1
1 587 . 20 1 1 X 52 52 THR N N 45 109.646 112.643 -2.997 1
1 588 . 20 1 1 X 53 53 GLU H H 46 7.366 7.947 -0.581 1
1 589 . 20 1 1 X 53 53 GLU HA H 46 3.836 4.024 -0.188 1
1 594 . 20 1 1 X 53 53 GLU C C 46 173.418 174.797 -1.379 1
1 595 . 20 1 1 X 53 53 GLU CA C 46 57.709 57.562 0.147 1
1 596 . 20 1 1 X 53 53 GLU CB C 46 29.067 27.353 1.714 1
1 598 . 20 1 1 X 53 53 GLU N N 46 112.606 114.171 -1.565 1
1 599 . 20 1 1 X 54 54 HIS H H 47 7.127 7.111 0.016 1
1 600 . 20 1 1 X 54 54 HIS HA H 47 3.070 3.380 -0.310 1
1 605 . 20 1 1 X 54 54 HIS CA C 47 55.826 54.950 0.876 1
1 606 . 20 1 1 X 54 54 HIS CB C 47 32.124 31.029 1.095 1
1 609 . 20 1 1 X 54 54 HIS N N 47 119.651 119.662 -0.011 1
1 610 . 20 1 1 X 55 55 PRO HA H 48 4.143 4.385 -0.242 1
1 617 . 20 1 1 X 55 55 PRO CA C 48 64.843 64.450 0.393 1
1 618 . 20 1 1 X 55 55 PRO CB C 48 32.350 31.660 0.690 1
1 621 . 20 1 1 X 56 56 ASP H H 49 10.605 7.565 3.040 1
1 622 . 20 1 1 X 56 56 ASP HA H 49 4.712 5.057 -0.345 1
1 625 . 20 1 1 X 56 56 ASP C C 49 178.187 177.408 0.779 1
1 626 . 20 1 1 X 56 56 ASP CA C 49 54.989 53.633 1.356 1
1 627 . 20 1 1 X 56 56 ASP CB C 49 40.657 41.809 -1.152 1
1 628 . 20 1 1 X 56 56 ASP N N 49 121.022 117.843 3.179 1
1 629 . 20 1 1 X 57 57 GLY H H 50 8.011 8.064 -0.053 1
1 630 . 20 1 1 X 57 57 GLY HA2 H 50 4.122 4.019 0.103 1
1 631 . 20 1 1 X 57 57 GLY HA3 H 50 3.701 4.152 -0.451 1
1 632 . 20 1 1 X 57 57 GLY C C 50 175.337 176.214 -0.877 1
1 633 . 20 1 1 X 57 57 GLY CA C 50 47.435 47.806 -0.371 1
1 634 . 20 1 1 X 57 57 GLY N N 50 108.190 109.249 -1.059 1
1 635 . 20 1 1 X 58 58 THR H H 51 9.047 8.204 0.843 1
1 636 . 20 1 1 X 58 58 THR HA H 51 3.730 4.243 -0.513 1
1 641 . 20 1 1 X 58 58 THR C C 51 176.082 177.176 -1.094 1
1 642 . 20 1 1 X 58 58 THR CA C 51 64.795 64.644 0.151 1
1 643 . 20 1 1 X 58 58 THR CB C 51 68.398 68.665 -0.267 1
1 645 . 20 1 1 X 58 58 THR N N 51 114.996 115.459 -0.463 1
1 646 . 20 1 1 X 59 59 ALA H H 52 8.142 8.158 -0.016 1
1 647 . 20 1 1 X 59 59 ALA HA H 52 4.205 4.144 0.061 1
1 651 . 20 1 1 X 59 59 ALA C C 52 179.373 180.164 -0.791 1
1 652 . 20 1 1 X 59 59 ALA CA C 52 55.625 55.188 0.437 1
1 653 . 20 1 1 X 59 59 ALA CB C 52 18.416 18.076 0.340 1
1 654 . 20 1 1 X 59 59 ALA N N 52 125.565 125.060 0.505 1
1 655 . 20 1 1 X 60 60 LEU H H 53 7.399 8.253 -0.854 1
1 656 . 20 1 1 X 60 60 LEU HA H 53 3.835 3.937 -0.102 1
1 666 . 20 1 1 X 60 60 LEU C C 53 178.601 179.094 -0.493 1
1 667 . 20 1 1 X 60 60 LEU CA C 53 58.031 57.997 0.034 1
1 668 . 20 1 1 X 60 60 LEU CB C 53 43.487 42.315 1.172 1
1 672 . 20 1 1 X 60 60 LEU N N 53 114.763 117.975 -3.212 1
1 673 . 20 1 1 X 61 61 ILE H H 54 6.855 7.587 -0.732 1
1 674 . 20 1 1 X 61 61 ILE HA H 54 3.518 3.285 0.233 1
1 684 . 20 1 1 X 61 61 ILE C C 54 178.595 177.733 0.862 1
1 685 . 20 1 1 X 61 61 ILE CA C 54 62.989 64.903 -1.914 1
1 686 . 20 1 1 X 61 61 ILE CB C 54 38.424 37.266 1.158 1
1 690 . 20 1 1 X 61 61 ILE N N 54 114.394 119.225 -4.831 1
1 691 . 20 1 1 X 62 62 TYR H H 55 7.489 8.348 -0.859 1
1 692 . 20 1 1 X 62 62 TYR HA H 55 4.243 4.291 -0.048 1
1 699 . 20 1 1 X 62 62 TYR C C 55 178.634 178.387 0.247 1
1 700 . 20 1 1 X 62 62 TYR CA C 55 61.518 60.737 0.781 1
1 701 . 20 1 1 X 62 62 TYR CB C 55 37.566 37.935 -0.369 1
1 706 . 20 1 1 X 62 62 TYR N N 55 117.898 119.278 -1.380 1
1 707 . 20 1 1 X 63 63 GLU H H 56 8.659 8.687 -0.028 1
1 708 . 20 1 1 X 63 63 GLU HA H 56 4.441 3.963 0.478 1
1 713 . 20 1 1 X 63 63 GLU C C 56 177.785 178.717 -0.932 1
1 714 . 20 1 1 X 63 63 GLU CA C 56 57.658 59.594 -1.936 1
1 715 . 20 1 1 X 63 63 GLU CB C 56 29.034 29.596 -0.562 1
1 717 . 20 1 1 X 63 63 GLU N N 56 119.392 119.392 0.000 1
1 718 . 20 1 1 X 64 64 ALA H H 57 7.164 8.318 -1.154 1
1 719 . 20 1 1 X 64 64 ALA HA H 57 4.021 4.071 -0.050 1
1 723 . 20 1 1 X 64 64 ALA C C 57 180.327 179.974 0.353 1
1 724 . 20 1 1 X 64 64 ALA CA C 57 55.759 54.982 0.777 1
1 725 . 20 1 1 X 64 64 ALA CB C 57 18.615 17.878 0.737 1
1 726 . 20 1 1 X 64 64 ALA N N 57 121.778 123.639 -1.861 1
1 727 . 20 1 1 X 65 65 ALA H H 58 8.076 8.112 -0.036 1
1 728 . 20 1 1 X 65 65 ALA HA H 58 4.137 3.960 0.177 1
1 732 . 20 1 1 X 65 65 ALA C C 58 180.248 179.629 0.619 1
1 733 . 20 1 1 X 65 65 ALA CA C 58 55.104 54.976 0.128 1
1 734 . 20 1 1 X 65 65 ALA CB C 58 18.071 18.091 -0.020 1
1 735 . 20 1 1 X 65 65 ALA N N 58 120.307 119.724 0.583 1
1 736 . 20 1 1 X 66 66 ALA H H 59 7.893 7.803 0.090 1
1 737 . 20 1 1 X 66 66 ALA HA H 59 4.170 4.034 0.136 1
1 741 . 20 1 1 X 66 66 ALA C C 59 180.838 179.467 1.371 1
1 742 . 20 1 1 X 66 66 ALA CA C 59 54.800 55.077 -0.277 1
1 743 . 20 1 1 X 66 66 ALA CB C 59 18.184 18.045 0.139 1
1 744 . 20 1 1 X 66 66 ALA N N 59 122.126 119.815 2.311 1
1 745 . 20 1 1 X 67 67 ARG H H 60 8.139 8.962 -0.823 1
1 746 . 20 1 1 X 67 67 ARG HA H 60 4.065 3.969 0.096 1
1 753 . 20 1 1 X 67 67 ARG C C 60 178.779 178.379 0.400 1
1 754 . 20 1 1 X 67 67 ARG CA C 60 59.282 59.745 -0.463 1
1 755 . 20 1 1 X 67 67 ARG CB C 60 30.863 29.952 0.911 1
1 758 . 20 1 1 X 67 67 ARG N N 60 118.948 118.126 0.822 1
1 759 . 20 1 1 X 68 68 ALA H H 61 7.891 8.142 -0.251 1
1 760 . 20 1 1 X 68 68 ALA HA H 61 4.141 4.143 -0.002 1
1 764 . 20 1 1 X 68 68 ALA C C 61 179.329 179.590 -0.261 1
1 765 . 20 1 1 X 68 68 ALA CA C 61 54.340 54.875 -0.535 1
1 766 . 20 1 1 X 68 68 ALA CB C 61 18.528 18.324 0.204 1
1 767 . 20 1 1 X 68 68 ALA N N 61 121.473 122.190 -0.717 1
1 768 . 20 1 1 X 69 69 ALA H H 62 7.663 8.073 -0.410 1
1 769 . 20 1 1 X 69 69 ALA HA H 62 4.133 4.169 -0.036 1
1 773 . 20 1 1 X 69 69 ALA C C 62 178.591 177.682 0.909 1
1 774 . 20 1 1 X 69 69 ALA CA C 62 53.863 54.840 -0.977 1
1 775 . 20 1 1 X 69 69 ALA CB C 62 18.438 18.932 -0.494 1
1 776 . 20 1 1 X 69 69 ALA N N 62 118.937 119.516 -0.579 1
1 777 . 20 1 1 X 70 70 ALA H H 63 7.488 8.202 -0.714 1
1 778 . 20 1 1 X 70 70 ALA HA H 63 4.280 4.447 -0.167 1
1 782 . 20 1 1 X 70 70 ALA C C 63 177.318 176.145 1.173 1
1 783 . 20 1 1 X 70 70 ALA CA C 63 52.981 50.856 2.125 1
1 784 . 20 1 1 X 70 70 ALA CB C 63 19.324 18.589 0.735 1
1 785 . 20 1 1 X 70 70 ALA N N 63 118.642 118.820 -0.178 1
1 786 . 20 1 1 X 71 71 ASN H H 64 7.631 8.615 -0.984 1
1 787 . 20 1 1 X 71 71 ASN HA H 64 5.077 5.411 -0.334 1
1 792 . 20 1 1 X 71 71 ASN CA C 64 50.877 50.303 0.574 1
1 793 . 20 1 1 X 71 71 ASN CB C 64 39.243 39.472 -0.229 1
1 795 . 20 1 1 X 71 71 ASN N N 64 116.008 121.472 -5.464 1
1 797 . 20 1 1 X 72 72 PRO HA H 65 4.468 4.555 -0.087 1
1 804 . 20 1 1 X 72 72 PRO CA C 65 64.454 63.561 0.893 1
1 805 . 20 1 1 X 72 72 PRO CB C 65 32.007 32.086 -0.079 1
1 808 . 20 1 1 X 73 73 GLY H H 66 8.608 7.805 0.803 1
1 809 . 20 1 1 X 73 73 GLY HA2 H 66 3.978 4.046 -0.068 1
1 810 . 20 1 1 X 73 73 GLY HA3 H 66 3.978 4.048 -0.070 1
1 811 . 20 1 1 X 73 73 GLY C C 66 175.054 172.875 2.179 1
1 812 . 20 1 1 X 73 73 GLY CA C 66 45.521 44.420 1.101 1
1 813 . 20 1 1 X 73 73 GLY N N 66 109.435 109.644 -0.209 1
1 814 . 20 1 1 X 74 74 GLY H H 67 8.085 8.317 -0.232 1
1 815 . 20 1 1 X 74 74 GLY HA2 H 67 4.132 4.206 -0.074 1
1 816 . 20 1 1 X 74 74 GLY HA3 H 67 3.896 4.208 -0.312 1
1 817 . 20 1 1 X 74 74 GLY C C 67 174.008 173.504 0.504 1
1 818 . 20 1 1 X 74 74 GLY CA C 67 45.450 45.857 -0.407 1
1 819 . 20 1 1 X 74 74 GLY N N 67 108.472 107.993 0.479 1
1 820 . 20 1 1 X 75 75 ASP H H 68 8.307 8.845 -0.538 1
1 821 . 20 1 1 X 75 75 ASP HA H 68 4.646 4.741 -0.095 1
1 824 . 20 1 1 X 75 75 ASP C C 68 176.933 177.237 -0.304 1
1 825 . 20 1 1 X 75 75 ASP CA C 68 54.226 54.650 -0.424 1
1 826 . 20 1 1 X 75 75 ASP CB C 68 41.486 42.669 -1.183 1
1 827 . 20 1 1 X 75 75 ASP N N 68 119.941 119.946 -0.005 1
1 828 . 20 1 1 X 76 76 GLY H H 69 8.502 7.969 0.533 1
1 829 . 20 1 1 X 76 76 GLY HA2 H 69 3.966 4.057 -0.091 1
1 830 . 20 1 1 X 76 76 GLY HA3 H 69 3.951 4.062 -0.111 1
1 831 . 20 1 1 X 76 76 GLY C C 69 174.771 173.679 1.092 1
1 832 . 20 1 1 X 76 76 GLY CA C 69 45.744 46.307 -0.563 1
1 833 . 20 1 1 X 76 76 GLY N N 69 109.061 105.788 3.273 1
1 834 . 20 1 1 X 77 77 GLY H H 70 8.367 8.720 -0.353 1
1 835 . 20 1 1 X 77 77 GLY HA2 H 70 4.092 4.004 0.088 1
1 836 . 20 1 1 X 77 77 GLY HA3 H 70 3.920 4.008 -0.088 1
1 837 . 20 1 1 X 77 77 GLY C C 70 174.782 173.650 1.132 1
1 838 . 20 1 1 X 77 77 GLY CA C 70 45.327 46.828 -1.501 1
1 839 . 20 1 1 X 77 77 GLY N N 70 108.393 109.774 -1.381 1
1 840 . 20 1 1 X 78 78 GLY H H 71 8.263 7.928 0.335 1
1 841 . 20 1 1 X 78 78 GLY HA2 H 71 4.205 4.142 0.063 1
1 842 . 20 1 1 X 78 78 GLY HA3 H 71 4.092 4.153 -0.061 1
1 843 . 20 1 1 X 78 78 GLY CA C 71 45.581 44.968 0.613 1
1 844 . 20 1 1 X 78 78 GLY N N 71 108.388 111.006 -2.618 1
1 845 . 20 1 1 X 79 79 PRO HA H 72 4.199 4.250 -0.051 1
1 852 . 20 1 1 X 79 79 PRO C C 72 178.000 177.489 0.511 1
1 853 . 20 1 1 X 79 79 PRO CA C 72 65.568 64.575 0.993 1
1 854 . 20 1 1 X 79 79 PRO CB C 72 32.864 31.927 0.937 1
1 857 . 20 1 1 X 80 80 GLU H H 73 9.283 8.406 0.877 1
1 858 . 20 1 1 X 80 80 GLU HA H 73 3.833 4.379 -0.546 1
1 863 . 20 1 1 X 80 80 GLU C C 73 179.587 177.618 1.969 1
1 864 . 20 1 1 X 80 80 GLU CA C 73 61.125 56.771 4.354 1
1 865 . 20 1 1 X 80 80 GLU CB C 73 28.576 29.702 -1.126 1
1 867 . 20 1 1 X 80 80 GLU N N 73 117.078 116.820 0.258 1
1 868 . 20 1 1 X 81 81 GLY H H 74 7.926 7.931 -0.005 1
1 869 . 20 1 1 X 81 81 GLY HA2 H 74 3.964 3.873 0.091 1
1 870 . 20 1 1 X 81 81 GLY HA3 H 74 3.914 3.881 0.033 1
1 871 . 20 1 1 X 81 81 GLY C C 74 176.538 176.284 0.254 1
1 872 . 20 1 1 X 81 81 GLY CA C 74 47.084 46.334 0.750 1
1 873 . 20 1 1 X 81 81 GLY N N 74 108.577 108.711 -0.134 1
1 874 . 20 1 1 X 82 82 ILE H H 75 7.593 8.111 -0.518 1
1 875 . 20 1 1 X 82 82 ILE HA H 75 3.873 3.850 0.023 1
1 885 . 20 1 1 X 82 82 ILE C C 75 178.147 178.127 0.020 1
1 886 . 20 1 1 X 82 82 ILE CA C 75 65.342 64.818 0.524 1
1 887 . 20 1 1 X 82 82 ILE CB C 75 38.163 37.257 0.906 1
1 891 . 20 1 1 X 82 82 ILE N N 75 123.572 119.816 3.756 1
1 892 . 20 1 1 X 83 83 VAL H H 76 8.135 7.922 0.213 1
1 893 . 20 1 1 X 83 83 VAL HA H 76 3.575 4.086 -0.511 1
1 901 . 20 1 1 X 83 83 VAL C C 76 177.094 177.985 -0.891 1
1 902 . 20 1 1 X 83 83 VAL CA C 76 68.153 65.794 2.359 1
1 903 . 20 1 1 X 83 83 VAL CB C 76 31.653 31.301 0.352 1
1 906 . 20 1 1 X 83 83 VAL N N 76 118.553 118.590 -0.037 1
1 907 . 20 1 1 X 84 84 LYS H H 77 7.803 8.077 -0.274 1
1 908 . 20 1 1 X 84 84 LYS HA H 77 4.006 4.021 -0.015 1
1 917 . 20 1 1 X 84 84 LYS C C 77 178.064 178.773 -0.709 1
1 918 . 20 1 1 X 84 84 LYS CA C 77 60.516 59.339 1.177 1
1 919 . 20 1 1 X 84 84 LYS CB C 77 32.849 32.167 0.682 1
1 923 . 20 1 1 X 84 84 LYS N N 77 119.572 120.720 -1.148 1
1 924 . 20 1 1 X 85 85 GLU H H 78 7.629 8.152 -0.523 1
1 925 . 20 1 1 X 85 85 GLU HA H 78 4.246 4.127 0.119 1
1 930 . 20 1 1 X 85 85 GLU C C 78 179.834 179.214 0.620 1
1 931 . 20 1 1 X 85 85 GLU CA C 78 59.752 59.237 0.515 1
1 932 . 20 1 1 X 85 85 GLU CB C 78 29.189 29.720 -0.531 1
1 934 . 20 1 1 X 85 85 GLU N N 78 118.366 118.928 -0.562 1
1 935 . 20 1 1 X 86 86 ILE H H 79 8.432 8.443 -0.011 1
1 936 . 20 1 1 X 86 86 ILE HA H 79 3.781 3.620 0.161 1
1 946 . 20 1 1 X 86 86 ILE C C 79 177.578 178.475 -0.897 1
1 947 . 20 1 1 X 86 86 ILE CA C 79 65.454 64.993 0.461 1
1 948 . 20 1 1 X 86 86 ILE CB C 79 37.940 37.888 0.052 1
1 952 . 20 1 1 X 86 86 ILE N N 79 118.975 120.644 -1.669 1
1 953 . 20 1 1 X 87 87 LYS H H 80 9.096 8.846 0.250 1
1 954 . 20 1 1 X 87 87 LYS HA H 80 3.958 4.043 -0.085 1
1 963 . 20 1 1 X 87 87 LYS C C 80 180.285 178.541 1.744 1
1 964 . 20 1 1 X 87 87 LYS CA C 80 60.290 59.152 1.138 1
1 965 . 20 1 1 X 87 87 LYS CB C 80 33.299 32.213 1.086 1
1 969 . 20 1 1 X 87 87 LYS N N 80 119.805 120.543 -0.738 1
1 970 . 20 1 1 X 88 88 GLU H H 81 8.508 8.176 0.332 1
1 971 . 20 1 1 X 88 88 GLU HA H 81 4.099 4.122 -0.023 1
1 976 . 20 1 1 X 88 88 GLU C C 81 179.195 178.912 0.283 1
1 977 . 20 1 1 X 88 88 GLU CA C 81 59.632 59.136 0.496 1
1 978 . 20 1 1 X 88 88 GLU CB C 81 29.649 29.496 0.153 1
1 980 . 20 1 1 X 88 88 GLU N N 81 118.920 119.425 -0.505 1
1 981 . 20 1 1 X 89 89 TRP H H 82 8.682 8.121 0.561 1
1 982 . 20 1 1 X 89 89 TRP HA H 82 4.201 4.311 -0.110 1
1 991 . 20 1 1 X 89 89 TRP C C 82 179.807 177.820 1.987 1
1 992 . 20 1 1 X 89 89 TRP CA C 82 63.110 60.895 2.215 1
1 993 . 20 1 1 X 89 89 TRP CB C 82 29.285 29.743 -0.458 1
1 999 . 20 1 1 X 89 89 TRP N N 82 122.152 121.919 0.233 1
1 1001 . 20 1 1 X 90 90 ARG H H 83 9.025 8.738 0.287 1
1 1002 . 20 1 1 X 90 90 ARG HA H 83 3.295 3.992 -0.697 1
1 1009 . 20 1 1 X 90 90 ARG C C 83 178.120 178.006 0.114 1
1 1010 . 20 1 1 X 90 90 ARG CA C 83 60.895 59.804 1.091 1
1 1011 . 20 1 1 X 90 90 ARG CB C 83 28.668 29.697 -1.029 1
1 1014 . 20 1 1 X 90 90 ARG N N 83 118.380 119.489 -1.109 1
1 1015 . 20 1 1 X 91 91 ALA H H 84 7.759 8.106 -0.347 1
1 1016 . 20 1 1 X 91 91 ALA HA H 84 4.151 4.119 0.032 1
1 1020 . 20 1 1 X 91 91 ALA C C 84 181.466 180.136 1.330 1
1 1021 . 20 1 1 X 91 91 ALA CA C 84 55.217 54.916 0.301 1
1 1022 . 20 1 1 X 91 91 ALA CB C 84 18.175 18.166 0.009 1
1 1023 . 20 1 1 X 91 91 ALA N N 84 120.210 120.697 -0.487 1
1 1024 . 20 1 1 X 92 92 ALA H H 85 7.943 8.154 -0.211 1
1 1025 . 20 1 1 X 92 92 ALA HA H 85 4.081 3.973 0.108 1
1 1029 . 20 1 1 X 92 92 ALA C C 85 178.324 178.782 -0.458 1
1 1030 . 20 1 1 X 92 92 ALA CA C 85 54.244 55.202 -0.958 1
1 1031 . 20 1 1 X 92 92 ALA CB C 85 18.306 18.215 0.091 1
1 1032 . 20 1 1 X 92 92 ALA N N 85 120.470 120.553 -0.083 1
1 1033 . 20 1 1 X 93 93 ASN H H 86 7.005 7.857 -0.852 1
1 1034 . 20 1 1 X 93 93 ASN HA H 86 4.475 4.467 0.008 1
1 1039 . 20 1 1 X 93 93 ASN C C 86 174.108 175.375 -1.267 1
1 1040 . 20 1 1 X 93 93 ASN CA C 86 53.347 53.496 -0.149 1
1 1041 . 20 1 1 X 93 93 ASN CB C 86 39.379 38.678 0.701 1
1 1043 . 20 1 1 X 93 93 ASN N N 86 113.372 114.024 -0.652 1
1 1045 . 20 1 1 X 94 94 GLY H H 87 7.535 7.991 -0.456 1
1 1046 . 20 1 1 X 94 94 GLY HA2 H 87 3.810 3.922 -0.112 1
1 1047 . 20 1 1 X 94 94 GLY HA3 H 87 3.810 3.930 -0.120 1
1 1048 . 20 1 1 X 94 94 GLY C C 87 174.481 174.125 0.356 1
1 1049 . 20 1 1 X 94 94 GLY CA C 87 47.230 45.417 1.813 1
1 1050 . 20 1 1 X 94 94 GLY N N 87 108.152 106.892 1.260 1
1 1051 . 20 1 1 X 95 95 LYS H H 88 8.037 8.364 -0.327 1
1 1052 . 20 1 1 X 95 95 LYS HA H 88 4.654 4.727 -0.073 1
1 1061 . 20 1 1 X 95 95 LYS CA C 88 53.357 52.979 0.378 1
1 1062 . 20 1 1 X 95 95 LYS CB C 88 32.741 33.260 -0.519 1
1 1066 . 20 1 1 X 95 95 LYS N N 88 119.147 119.771 -0.624 1
1 1067 . 20 1 1 X 96 96 PRO HA H 89 4.275 4.460 -0.185 1
1 1074 . 20 1 1 X 96 96 PRO C C 89 176.696 177.200 -0.504 1
1 1075 . 20 1 1 X 96 96 PRO CA C 89 63.482 63.194 0.288 1
1 1076 . 20 1 1 X 96 96 PRO CB C 89 32.981 32.039 0.942 1
1 1079 . 20 1 1 X 97 97 GLY H H 90 8.336 8.333 0.003 1
1 1080 . 20 1 1 X 97 97 GLY HA2 H 90 4.074 3.814 0.260 1
1 1081 . 20 1 1 X 97 97 GLY HA3 H 90 3.615 3.955 -0.340 1
1 1082 . 20 1 1 X 97 97 GLY C C 90 173.388 173.478 -0.090 1
1 1083 . 20 1 1 X 97 97 GLY CA C 90 43.347 43.998 -0.651 1
1 1084 . 20 1 1 X 97 97 GLY N N 90 110.343 107.626 2.717 1
1 1085 . 20 1 1 X 98 98 PHE H H 91 7.749 8.241 -0.492 1
1 1086 . 20 1 1 X 98 98 PHE HA H 91 4.527 4.751 -0.224 1
1 1094 . 20 1 1 X 98 98 PHE C C 91 177.021 175.978 1.043 1
1 1095 . 20 1 1 X 98 98 PHE CA C 91 59.184 58.390 0.794 1
1 1096 . 20 1 1 X 98 98 PHE CB C 91 40.005 39.696 0.309 1
1 1102 . 20 1 1 X 98 98 PHE N N 91 116.151 120.009 -3.858 1
1 1103 . 20 1 1 X 99 99 LYS H H 92 8.531 9.109 -0.578 1
1 1104 . 20 1 1 X 99 99 LYS HA H 92 4.178 4.523 -0.345 1
1 1113 . 20 1 1 X 99 99 LYS C C 92 176.542 176.523 0.019 1
1 1114 . 20 1 1 X 99 99 LYS CA C 92 57.292 56.151 1.141 1
1 1115 . 20 1 1 X 99 99 LYS CB C 92 32.875 33.499 -0.624 1
1 1119 . 20 1 1 X 99 99 LYS N N 92 123.602 123.860 -0.258 1
1 1120 . 20 1 1 X 100 100 GLN H H 93 8.633 8.699 -0.066 1
1 1121 . 20 1 1 X 100 100 GLN HA H 93 4.297 4.733 -0.436 1
1 1128 . 20 1 1 X 100 100 GLN C C 93 175.318 176.135 -0.817 1
1 1129 . 20 1 1 X 100 100 GLN CA C 93 56.479 55.903 0.576 1
1 1130 . 20 1 1 X 100 100 GLN CB C 93 29.751 29.273 0.478 1
1 1133 . 20 1 1 X 100 100 GLN N N 93 125.089 123.250 1.839 1
1 12 . 21 1 1 X 10 10 LEU H H 3 8.121 8.811 -0.690 1
1 13 . 21 1 1 X 10 10 LEU HA H 3 4.240 5.431 -1.191 1
1 23 . 21 1 1 X 10 10 LEU C C 3 176.909 176.295 0.614 1
1 24 . 21 1 1 X 10 10 LEU CA C 3 54.748 53.346 1.402 1
1 25 . 21 1 1 X 10 10 LEU CB C 3 41.272 43.764 -2.492 1
1 29 . 21 1 1 X 10 10 LEU N N 3 123.688 126.205 -2.517 1
1 30 . 21 1 1 X 11 11 LYS H H 4 7.677 8.855 -1.178 1
1 31 . 21 1 1 X 11 11 LYS HA H 4 4.404 4.654 -0.250 1
1 40 . 21 1 1 X 11 11 LYS C C 4 176.184 177.028 -0.844 1
1 41 . 21 1 1 X 11 11 LYS CA C 4 55.828 54.632 1.196 1
1 42 . 21 1 1 X 11 11 LYS CB C 4 33.482 34.070 -0.588 1
1 46 . 21 1 1 X 11 11 LYS N N 4 122.221 122.021 0.200 1
1 47 . 21 1 1 X 12 12 ASN H H 5 8.538 8.779 -0.241 1
1 48 . 21 1 1 X 12 12 ASN HA H 5 4.685 5.142 -0.457 1
1 53 . 21 1 1 X 12 12 ASN C C 5 174.925 175.281 -0.356 1
1 54 . 21 1 1 X 12 12 ASN CA C 5 55.721 54.040 1.681 1
1 55 . 21 1 1 X 12 12 ASN CB C 5 40.409 41.131 -0.722 1
1 57 . 21 1 1 X 12 12 ASN N N 5 116.610 118.124 -1.514 1
1 59 . 21 1 1 X 13 13 SER H H 6 8.144 7.727 0.417 1
1 60 . 21 1 1 X 13 13 SER HA H 6 4.819 4.847 -0.028 1
1 63 . 21 1 1 X 13 13 SER C C 6 175.123 175.230 -0.107 1
1 64 . 21 1 1 X 13 13 SER CA C 6 56.778 55.545 1.233 1
1 65 . 21 1 1 X 13 13 SER CB C 6 65.949 67.114 -1.165 1
1 66 . 21 1 1 X 13 13 SER N N 6 112.138 110.811 1.327 1
1 67 . 21 1 1 X 14 14 ILE H H 7 9.318 8.756 0.562 1
1 68 . 21 1 1 X 14 14 ILE HA H 7 3.966 4.217 -0.251 1
1 78 . 21 1 1 X 14 14 ILE C C 7 175.537 178.361 -2.824 1
1 79 . 21 1 1 X 14 14 ILE CA C 7 64.956 63.763 1.193 1
1 80 . 21 1 1 X 14 14 ILE CB C 7 37.062 37.960 -0.898 1
1 84 . 21 1 1 X 14 14 ILE N N 7 126.034 124.649 1.385 1
1 85 . 21 1 1 X 15 15 SER H H 8 7.504 8.221 -0.717 1
1 86 . 21 1 1 X 15 15 SER HA H 8 4.694 4.509 0.185 1
1 89 . 21 1 1 X 15 15 SER C C 8 174.278 174.613 -0.335 1
1 90 . 21 1 1 X 15 15 SER CA C 8 59.481 60.340 -0.859 1
1 91 . 21 1 1 X 15 15 SER CB C 8 63.241 63.330 -0.089 1
1 92 . 21 1 1 X 15 15 SER N N 8 112.517 117.702 -5.185 1
1 93 . 21 1 1 X 16 16 ASP H H 9 7.783 7.803 -0.020 1
1 94 . 21 1 1 X 16 16 ASP HA H 9 4.791 4.800 -0.009 1
1 97 . 21 1 1 X 16 16 ASP C C 9 175.976 175.881 0.095 1
1 98 . 21 1 1 X 16 16 ASP CA C 9 55.243 53.468 1.775 1
1 99 . 21 1 1 X 16 16 ASP CB C 9 43.327 41.168 2.159 1
1 100 . 21 1 1 X 16 16 ASP N N 9 117.795 119.793 -1.998 1
1 101 . 21 1 1 X 17 17 TYR H H 10 8.279 7.812 0.467 1
1 102 . 21 1 1 X 17 17 TYR HA H 10 4.962 5.044 -0.082 1
1 109 . 21 1 1 X 17 17 TYR C C 10 177.535 176.312 1.223 1
1 110 . 21 1 1 X 17 17 TYR CA C 10 58.573 57.581 0.992 1
1 111 . 21 1 1 X 17 17 TYR CB C 10 41.015 39.718 1.297 1
1 116 . 21 1 1 X 17 17 TYR N N 10 120.484 119.228 1.256 1
1 117 . 21 1 1 X 18 18 THR H H 11 8.796 8.850 -0.054 1
1 118 . 21 1 1 X 18 18 THR HA H 11 5.040 4.932 0.108 1
1 123 . 21 1 1 X 18 18 THR C C 11 176.099 176.115 -0.016 1
1 124 . 21 1 1 X 18 18 THR CA C 11 60.775 60.922 -0.147 1
1 125 . 21 1 1 X 18 18 THR CB C 11 71.041 70.839 0.202 1
1 127 . 21 1 1 X 18 18 THR N N 11 112.143 117.368 -5.225 1
1 128 . 21 1 1 X 19 19 GLU H H 12 9.173 8.976 0.197 1
1 129 . 21 1 1 X 19 19 GLU HA H 12 2.757 3.571 -0.814 1
1 134 . 21 1 1 X 19 19 GLU C C 12 178.378 178.756 -0.378 1
1 135 . 21 1 1 X 19 19 GLU CA C 12 60.906 58.835 2.071 1
1 136 . 21 1 1 X 19 19 GLU CB C 12 29.442 28.775 0.667 1
1 138 . 21 1 1 X 19 19 GLU N N 12 122.386 121.348 1.038 1
1 139 . 21 1 1 X 20 20 ALA H H 13 8.356 8.210 0.146 1
1 140 . 21 1 1 X 20 20 ALA HA H 13 4.069 4.124 -0.055 1
1 144 . 21 1 1 X 20 20 ALA C C 13 181.816 179.614 2.202 1
1 145 . 21 1 1 X 20 20 ALA CA C 13 55.388 55.044 0.344 1
1 146 . 21 1 1 X 20 20 ALA CB C 13 18.308 18.496 -0.188 1
1 147 . 21 1 1 X 20 20 ALA N N 13 118.695 122.666 -3.971 1
1 148 . 21 1 1 X 21 21 GLU H H 14 8.013 8.120 -0.107 1
1 149 . 21 1 1 X 21 21 GLU HA H 14 4.131 4.125 0.006 1
1 154 . 21 1 1 X 21 21 GLU C C 14 179.649 179.257 0.392 1
1 155 . 21 1 1 X 21 21 GLU CA C 14 58.916 59.155 -0.239 1
1 156 . 21 1 1 X 21 21 GLU CB C 14 31.632 29.617 2.015 1
1 158 . 21 1 1 X 21 21 GLU N N 14 118.978 119.315 -0.337 1
1 159 . 21 1 1 X 22 22 PHE H H 15 8.635 8.321 0.314 1
1 160 . 21 1 1 X 22 22 PHE HA H 15 4.049 4.254 -0.205 1
1 167 . 21 1 1 X 22 22 PHE C C 15 177.402 177.668 -0.266 1
1 168 . 21 1 1 X 22 22 PHE CA C 15 62.183 61.397 0.786 1
1 169 . 21 1 1 X 22 22 PHE CB C 15 40.545 39.035 1.510 1
1 174 . 21 1 1 X 22 22 PHE N N 15 124.639 121.814 2.825 1
1 175 . 21 1 1 X 23 23 VAL H H 16 8.647 8.652 -0.005 1
1 176 . 21 1 1 X 23 23 VAL HA H 16 3.416 3.772 -0.356 1
1 184 . 21 1 1 X 23 23 VAL C C 16 177.798 177.784 0.014 1
1 185 . 21 1 1 X 23 23 VAL CA C 16 67.917 66.818 1.099 1
1 186 . 21 1 1 X 23 23 VAL CB C 16 31.579 30.814 0.765 1
1 189 . 21 1 1 X 23 23 VAL N N 16 119.817 118.691 1.126 1
1 190 . 21 1 1 X 24 24 GLN H H 17 7.569 8.365 -0.796 1
1 191 . 21 1 1 X 24 24 GLN HA H 17 3.943 4.013 -0.070 1
1 198 . 21 1 1 X 24 24 GLN C C 17 178.313 178.146 0.167 1
1 199 . 21 1 1 X 24 24 GLN CA C 17 59.289 59.048 0.241 1
1 200 . 21 1 1 X 24 24 GLN CB C 17 27.814 28.117 -0.303 1
1 203 . 21 1 1 X 24 24 GLN N N 17 117.658 121.102 -3.444 1
1 205 . 21 1 1 X 25 25 LEU H H 18 7.512 7.768 -0.256 1
1 206 . 21 1 1 X 25 25 LEU HA H 18 4.136 4.066 0.070 1
1 216 . 21 1 1 X 25 25 LEU C C 18 178.440 178.015 0.425 1
1 217 . 21 1 1 X 25 25 LEU CA C 18 58.651 58.152 0.499 1
1 218 . 21 1 1 X 25 25 LEU CB C 18 40.626 41.248 -0.622 1
1 222 . 21 1 1 X 25 25 LEU N N 18 122.037 120.780 1.257 1
1 223 . 21 1 1 X 26 26 LEU H H 19 7.761 8.488 -0.727 1
1 224 . 21 1 1 X 26 26 LEU HA H 19 3.748 3.619 0.129 1
1 234 . 21 1 1 X 26 26 LEU C C 19 180.080 179.166 0.914 1
1 235 . 21 1 1 X 26 26 LEU CA C 19 58.041 57.886 0.155 1
1 236 . 21 1 1 X 26 26 LEU CB C 19 41.009 41.177 -0.168 1
1 240 . 21 1 1 X 26 26 LEU N N 19 118.502 118.398 0.104 1
1 241 . 21 1 1 X 27 27 LYS H H 20 8.357 8.341 0.016 1
1 242 . 21 1 1 X 27 27 LYS HA H 20 4.019 4.018 0.001 1
1 251 . 21 1 1 X 27 27 LYS C C 20 179.559 179.591 -0.032 1
1 252 . 21 1 1 X 27 27 LYS CA C 20 59.648 59.956 -0.308 1
1 253 . 21 1 1 X 27 27 LYS CB C 20 31.995 31.928 0.067 1
1 257 . 21 1 1 X 27 27 LYS N N 20 120.427 118.143 2.284 1
1 258 . 21 1 1 X 28 28 GLU H H 21 8.123 7.977 0.146 1
1 259 . 21 1 1 X 28 28 GLU HA H 21 4.082 4.037 0.045 1
1 264 . 21 1 1 X 28 28 GLU C C 21 179.063 179.470 -0.407 1
1 265 . 21 1 1 X 28 28 GLU CA C 21 59.406 59.153 0.253 1
1 266 . 21 1 1 X 28 28 GLU CB C 21 29.146 29.412 -0.266 1
1 268 . 21 1 1 X 28 28 GLU N N 21 122.374 120.045 2.329 1
1 269 . 21 1 1 X 29 29 ILE H H 22 8.049 8.451 -0.402 1
1 270 . 21 1 1 X 29 29 ILE HA H 22 3.343 3.548 -0.205 1
1 280 . 21 1 1 X 29 29 ILE C C 22 177.151 177.747 -0.596 1
1 281 . 21 1 1 X 29 29 ILE CA C 22 66.435 65.654 0.781 1
1 282 . 21 1 1 X 29 29 ILE CB C 22 37.954 37.471 0.483 1
1 286 . 21 1 1 X 29 29 ILE N N 22 120.195 121.378 -1.183 1
1 287 . 21 1 1 X 30 30 GLU H H 23 7.820 8.146 -0.326 1
1 288 . 21 1 1 X 30 30 GLU HA H 23 3.983 3.798 0.185 1
1 293 . 21 1 1 X 30 30 GLU C C 23 178.990 178.890 0.100 1
1 294 . 21 1 1 X 30 30 GLU CA C 23 59.460 60.060 -0.600 1
1 295 . 21 1 1 X 30 30 GLU CB C 23 30.012 29.318 0.694 1
1 297 . 21 1 1 X 30 30 GLU N N 23 118.917 120.683 -1.766 1
1 298 . 21 1 1 X 31 31 LYS H H 24 7.678 8.015 -0.337 1
1 299 . 21 1 1 X 31 31 LYS HA H 24 4.059 3.946 0.113 1
1 308 . 21 1 1 X 31 31 LYS C C 24 179.231 179.269 -0.038 1
1 309 . 21 1 1 X 31 31 LYS CA C 24 59.152 59.687 -0.535 1
1 310 . 21 1 1 X 31 31 LYS CB C 24 32.712 32.185 0.527 1
1 314 . 21 1 1 X 31 31 LYS N N 24 118.807 119.851 -1.044 1
1 315 . 21 1 1 X 32 32 GLU H H 25 8.182 8.564 -0.382 1
1 316 . 21 1 1 X 32 32 GLU HA H 25 4.309 4.074 0.235 1
1 321 . 21 1 1 X 32 32 GLU C C 25 177.897 179.178 -1.281 1
1 322 . 21 1 1 X 32 32 GLU CA C 25 57.449 59.260 -1.811 1
1 323 . 21 1 1 X 32 32 GLU CB C 25 29.522 28.808 0.714 1
1 325 . 21 1 1 X 32 32 GLU N N 25 118.578 118.804 -0.226 1
1 326 . 21 1 1 X 33 33 ASN H H 26 8.343 8.112 0.231 1
1 327 . 21 1 1 X 33 33 ASN HA H 26 4.608 4.446 0.162 1
1 330 . 21 1 1 X 33 33 ASN C C 26 176.524 177.491 -0.967 1
1 331 . 21 1 1 X 33 33 ASN CA C 26 55.463 56.289 -0.826 1
1 332 . 21 1 1 X 33 33 ASN CB C 26 39.074 38.982 0.092 1
1 333 . 21 1 1 X 33 33 ASN N N 26 118.483 118.666 -0.183 1
1 334 . 21 1 1 X 34 34 VAL H H 27 7.434 7.883 -0.449 1
1 335 . 21 1 1 X 34 34 VAL HA H 27 4.182 4.089 0.093 1
1 343 . 21 1 1 X 34 34 VAL C C 27 176.315 176.782 -0.467 1
1 344 . 21 1 1 X 34 34 VAL CA C 27 62.829 63.696 -0.867 1
1 345 . 21 1 1 X 34 34 VAL CB C 27 32.178 31.431 0.747 1
1 348 . 21 1 1 X 34 34 VAL N N 27 114.036 115.918 -1.882 1
1 349 . 21 1 1 X 35 35 ALA H H 28 7.648 7.474 0.174 1
1 350 . 21 1 1 X 35 35 ALA HA H 28 4.346 4.300 0.046 1
1 354 . 21 1 1 X 35 35 ALA C C 28 177.126 176.836 0.290 1
1 355 . 21 1 1 X 35 35 ALA CA C 28 52.712 51.989 0.723 1
1 356 . 21 1 1 X 35 35 ALA CB C 28 19.915 19.499 0.416 1
1 357 . 21 1 1 X 35 35 ALA N N 28 124.066 124.015 0.051 1
1 358 . 21 1 1 X 36 36 ALA H H 29 8.337 7.566 0.771 1
1 359 . 21 1 1 X 36 36 ALA HA H 29 4.260 4.006 0.254 1
1 363 . 21 1 1 X 36 36 ALA C C 29 177.999 177.713 0.286 1
1 364 . 21 1 1 X 36 36 ALA CA C 29 53.660 52.858 0.802 1
1 365 . 21 1 1 X 36 36 ALA CB C 29 19.175 17.058 2.117 1
1 366 . 21 1 1 X 36 36 ALA N N 29 121.695 119.580 2.115 1
1 367 . 21 1 1 X 37 37 THR H H 30 8.093 7.841 0.252 1
1 368 . 21 1 1 X 37 37 THR HA H 30 4.533 4.477 0.056 1
1 373 . 21 1 1 X 37 37 THR C C 30 174.715 175.591 -0.876 1
1 374 . 21 1 1 X 37 37 THR CA C 30 60.860 62.455 -1.595 1
1 375 . 21 1 1 X 37 37 THR CB C 30 70.424 70.581 -0.157 1
1 377 . 21 1 1 X 37 37 THR N N 30 110.112 110.869 -0.757 1
1 378 . 21 1 1 X 38 38 ASP H H 31 8.488 8.016 0.472 1
1 379 . 21 1 1 X 38 38 ASP HA H 31 4.685 4.237 0.448 1
1 382 . 21 1 1 X 38 38 ASP C C 31 175.896 176.689 -0.793 1
1 383 . 21 1 1 X 38 38 ASP CA C 31 54.704 56.761 -2.057 1
1 384 . 21 1 1 X 38 38 ASP CB C 31 41.389 38.994 2.395 1
1 385 . 21 1 1 X 38 38 ASP N N 31 121.899 116.379 5.520 1
1 386 . 21 1 1 X 39 39 ASP H H 32 8.368 9.002 -0.634 1
1 387 . 21 1 1 X 39 39 ASP HA H 32 4.459 4.415 0.044 1
1 390 . 21 1 1 X 39 39 ASP C C 32 177.499 178.413 -0.914 1
1 391 . 21 1 1 X 39 39 ASP CA C 32 56.443 56.863 -0.420 1
1 392 . 21 1 1 X 39 39 ASP CB C 32 40.737 40.160 0.577 1
1 393 . 21 1 1 X 39 39 ASP N N 32 118.770 119.111 -0.341 1
1 394 . 21 1 1 X 40 40 VAL H H 33 7.963 8.007 -0.044 1
1 395 . 21 1 1 X 40 40 VAL HA H 33 3.800 3.895 -0.095 1
1 403 . 21 1 1 X 40 40 VAL C C 33 177.362 177.553 -0.191 1
1 404 . 21 1 1 X 40 40 VAL CA C 33 64.970 64.687 0.283 1
1 405 . 21 1 1 X 40 40 VAL CB C 33 32.256 31.846 0.410 1
1 408 . 21 1 1 X 40 40 VAL N N 33 119.409 118.154 1.255 1
1 409 . 21 1 1 X 41 41 LEU H H 34 8.508 7.591 0.917 1
1 410 . 21 1 1 X 41 41 LEU HA H 34 3.857 3.916 -0.059 1
1 420 . 21 1 1 X 41 41 LEU C C 34 177.633 178.255 -0.622 1
1 421 . 21 1 1 X 41 41 LEU CA C 34 58.428 58.609 -0.181 1
1 422 . 21 1 1 X 41 41 LEU CB C 34 41.755 41.400 0.355 1
1 426 . 21 1 1 X 41 41 LEU N N 34 122.150 122.565 -0.415 1
1 427 . 21 1 1 X 42 42 ASP H H 35 8.236 8.536 -0.300 1
1 428 . 21 1 1 X 42 42 ASP HA H 35 4.370 4.405 -0.035 1
1 431 . 21 1 1 X 42 42 ASP C C 35 179.155 178.679 0.476 1
1 432 . 21 1 1 X 42 42 ASP CA C 35 57.925 57.651 0.274 1
1 433 . 21 1 1 X 42 42 ASP CB C 35 40.417 40.859 -0.442 1
1 434 . 21 1 1 X 42 42 ASP N N 35 116.374 119.135 -2.761 1
1 435 . 21 1 1 X 43 43 VAL H H 36 7.320 7.685 -0.365 1
1 436 . 21 1 1 X 43 43 VAL HA H 36 3.782 3.605 0.177 1
1 444 . 21 1 1 X 43 43 VAL C C 36 179.309 178.496 0.813 1
1 445 . 21 1 1 X 43 43 VAL CA C 36 66.080 66.702 -0.622 1
1 446 . 21 1 1 X 43 43 VAL CB C 36 32.245 31.716 0.529 1
1 449 . 21 1 1 X 43 43 VAL N N 36 119.754 120.128 -0.374 1
1 450 . 21 1 1 X 44 44 LEU H H 37 8.122 8.184 -0.062 1
1 451 . 21 1 1 X 44 44 LEU HA H 37 4.008 4.080 -0.072 1
1 461 . 21 1 1 X 44 44 LEU C C 37 179.518 179.361 0.157 1
1 462 . 21 1 1 X 44 44 LEU CA C 37 58.048 57.884 0.164 1
1 463 . 21 1 1 X 44 44 LEU CB C 37 42.374 41.798 0.576 1
1 467 . 21 1 1 X 44 44 LEU N N 37 120.608 118.975 1.633 1
1 468 . 21 1 1 X 45 45 LEU H H 38 8.898 8.470 0.428 1
1 469 . 21 1 1 X 45 45 LEU HA H 38 4.030 3.955 0.075 1
1 479 . 21 1 1 X 45 45 LEU C C 38 179.166 179.467 -0.301 1
1 480 . 21 1 1 X 45 45 LEU CA C 38 58.184 58.302 -0.118 1
1 481 . 21 1 1 X 45 45 LEU CB C 38 41.506 41.774 -0.268 1
1 485 . 21 1 1 X 45 45 LEU N N 38 119.199 118.815 0.384 1
1 486 . 21 1 1 X 46 46 GLU H H 39 7.964 8.520 -0.556 1
1 487 . 21 1 1 X 46 46 GLU HA H 39 4.066 4.048 0.018 1
1 492 . 21 1 1 X 46 46 GLU C C 39 178.995 178.911 0.084 1
1 493 . 21 1 1 X 46 46 GLU CA C 39 59.769 59.618 0.151 1
1 494 . 21 1 1 X 46 46 GLU CB C 39 29.577 29.263 0.314 1
1 496 . 21 1 1 X 46 46 GLU N N 39 119.334 117.974 1.360 1
1 497 . 21 1 1 X 47 47 HIS H H 40 8.009 8.537 -0.528 1
1 498 . 21 1 1 X 47 47 HIS HA H 40 4.416 4.363 0.053 1
1 503 . 21 1 1 X 47 47 HIS C C 40 176.115 177.109 -0.994 1
1 504 . 21 1 1 X 47 47 HIS CA C 40 60.151 59.154 0.997 1
1 505 . 21 1 1 X 47 47 HIS CB C 40 30.389 30.353 0.036 1
1 508 . 21 1 1 X 47 47 HIS N N 40 119.610 120.420 -0.810 1
1 509 . 21 1 1 X 48 48 PHE H H 41 8.711 8.637 0.074 1
1 510 . 21 1 1 X 48 48 PHE HA H 41 3.808 4.169 -0.361 1
1 518 . 21 1 1 X 48 48 PHE C C 41 178.023 177.241 0.782 1
1 519 . 21 1 1 X 48 48 PHE CA C 41 62.654 61.309 1.345 1
1 520 . 21 1 1 X 48 48 PHE CB C 41 39.408 39.187 0.221 1
1 526 . 21 1 1 X 48 48 PHE N N 41 118.110 120.203 -2.093 1
1 527 . 21 1 1 X 49 49 VAL H H 42 8.439 8.124 0.315 1
1 528 . 21 1 1 X 49 49 VAL HA H 42 3.359 3.616 -0.257 1
1 536 . 21 1 1 X 49 49 VAL C C 42 178.340 177.496 0.844 1
1 537 . 21 1 1 X 49 49 VAL CA C 42 67.276 64.332 2.944 1
1 538 . 21 1 1 X 49 49 VAL CB C 42 32.235 31.355 0.880 1
1 541 . 21 1 1 X 49 49 VAL N N 42 121.301 118.490 2.811 1
1 542 . 21 1 1 X 50 50 LYS H H 43 8.091 8.326 -0.235 1
1 543 . 21 1 1 X 50 50 LYS HA H 43 3.973 3.997 -0.024 1
1 552 . 21 1 1 X 50 50 LYS C C 43 178.985 178.170 0.815 1
1 553 . 21 1 1 X 50 50 LYS CA C 43 59.580 58.904 0.676 1
1 554 . 21 1 1 X 50 50 LYS CB C 43 32.784 31.710 1.074 1
1 558 . 21 1 1 X 50 50 LYS N N 43 120.887 119.815 1.072 1
1 559 . 21 1 1 X 51 51 ILE H H 44 8.347 7.399 0.948 1
1 560 . 21 1 1 X 51 51 ILE HA H 44 4.159 3.809 0.350 1
1 570 . 21 1 1 X 51 51 ILE C C 44 178.121 177.913 0.208 1
1 571 . 21 1 1 X 51 51 ILE CA C 44 62.328 64.174 -1.846 1
1 572 . 21 1 1 X 51 51 ILE CB C 44 37.576 37.416 0.160 1
1 576 . 21 1 1 X 51 51 ILE N N 44 111.354 116.902 -5.548 1
1 577 . 21 1 1 X 52 52 THR H H 45 7.588 7.517 0.071 1
1 578 . 21 1 1 X 52 52 THR HA H 45 3.683 4.037 -0.354 1
1 583 . 21 1 1 X 52 52 THR C C 45 176.285 175.303 0.982 1
1 584 . 21 1 1 X 52 52 THR CA C 45 65.803 63.385 2.418 1
1 585 . 21 1 1 X 52 52 THR CB C 45 69.689 69.788 -0.099 1
1 587 . 21 1 1 X 52 52 THR N N 45 109.646 112.779 -3.133 1
1 588 . 21 1 1 X 53 53 GLU H H 46 7.366 7.872 -0.506 1
1 589 . 21 1 1 X 53 53 GLU HA H 46 3.836 4.094 -0.258 1
1 594 . 21 1 1 X 53 53 GLU C C 46 173.418 174.886 -1.468 1
1 595 . 21 1 1 X 53 53 GLU CA C 46 57.709 57.426 0.283 1
1 596 . 21 1 1 X 53 53 GLU CB C 46 29.067 27.245 1.822 1
1 598 . 21 1 1 X 53 53 GLU N N 46 112.606 113.918 -1.312 1
1 599 . 21 1 1 X 54 54 HIS H H 47 7.127 7.225 -0.098 1
1 600 . 21 1 1 X 54 54 HIS HA H 47 3.070 3.349 -0.279 1
1 605 . 21 1 1 X 54 54 HIS CA C 47 55.826 54.742 1.084 1
1 606 . 21 1 1 X 54 54 HIS CB C 47 32.124 30.731 1.393 1
1 609 . 21 1 1 X 54 54 HIS N N 47 119.651 119.619 0.032 1
1 610 . 21 1 1 X 55 55 PRO HA H 48 4.143 4.248 -0.105 1
1 617 . 21 1 1 X 55 55 PRO CA C 48 64.843 63.771 1.072 1
1 618 . 21 1 1 X 55 55 PRO CB C 48 32.350 31.563 0.787 1
1 621 . 21 1 1 X 56 56 ASP H H 49 10.605 7.402 3.203 1
1 622 . 21 1 1 X 56 56 ASP HA H 49 4.712 4.873 -0.161 1
1 625 . 21 1 1 X 56 56 ASP C C 49 178.187 177.068 1.119 1
1 626 . 21 1 1 X 56 56 ASP CA C 49 54.989 53.102 1.887 1
1 627 . 21 1 1 X 56 56 ASP CB C 49 40.657 41.927 -1.270 1
1 628 . 21 1 1 X 56 56 ASP N N 49 121.022 118.317 2.705 1
1 629 . 21 1 1 X 57 57 GLY H H 50 8.011 8.092 -0.081 1
1 630 . 21 1 1 X 57 57 GLY HA2 H 50 4.122 3.825 0.297 1
1 631 . 21 1 1 X 57 57 GLY HA3 H 50 3.701 3.868 -0.167 1
1 632 . 21 1 1 X 57 57 GLY C C 50 175.337 175.856 -0.519 1
1 633 . 21 1 1 X 57 57 GLY CA C 50 47.435 47.372 0.063 1
1 634 . 21 1 1 X 57 57 GLY N N 50 108.190 109.963 -1.773 1
1 635 . 21 1 1 X 58 58 THR H H 51 9.047 8.008 1.039 1
1 636 . 21 1 1 X 58 58 THR HA H 51 3.730 4.361 -0.631 1
1 641 . 21 1 1 X 58 58 THR C C 51 176.082 176.920 -0.838 1
1 642 . 21 1 1 X 58 58 THR CA C 51 64.795 64.229 0.566 1
1 643 . 21 1 1 X 58 58 THR CB C 51 68.398 68.705 -0.307 1
1 645 . 21 1 1 X 58 58 THR N N 51 114.996 115.619 -0.623 1
1 646 . 21 1 1 X 59 59 ALA H H 52 8.142 8.052 0.090 1
1 647 . 21 1 1 X 59 59 ALA HA H 52 4.205 4.088 0.117 1
1 651 . 21 1 1 X 59 59 ALA C C 52 179.373 180.218 -0.845 1
1 652 . 21 1 1 X 59 59 ALA CA C 52 55.625 55.038 0.587 1
1 653 . 21 1 1 X 59 59 ALA CB C 52 18.416 18.417 -0.001 1
1 654 . 21 1 1 X 59 59 ALA N N 52 125.565 125.326 0.239 1
1 655 . 21 1 1 X 60 60 LEU H H 53 7.399 8.379 -0.980 1
1 656 . 21 1 1 X 60 60 LEU HA H 53 3.835 3.926 -0.091 1
1 666 . 21 1 1 X 60 60 LEU C C 53 178.601 178.920 -0.319 1
1 667 . 21 1 1 X 60 60 LEU CA C 53 58.031 58.293 -0.262 1
1 668 . 21 1 1 X 60 60 LEU CB C 53 43.487 42.021 1.466 1
1 672 . 21 1 1 X 60 60 LEU N N 53 114.763 118.705 -3.942 1
1 673 . 21 1 1 X 61 61 ILE H H 54 6.855 7.713 -0.858 1
1 674 . 21 1 1 X 61 61 ILE HA H 54 3.518 3.485 0.033 1
1 684 . 21 1 1 X 61 61 ILE C C 54 178.595 177.796 0.799 1
1 685 . 21 1 1 X 61 61 ILE CA C 54 62.989 65.197 -2.208 1
1 686 . 21 1 1 X 61 61 ILE CB C 54 38.424 37.632 0.792 1
1 690 . 21 1 1 X 61 61 ILE N N 54 114.394 119.644 -5.250 1
1 691 . 21 1 1 X 62 62 TYR H H 55 7.489 8.324 -0.835 1
1 692 . 21 1 1 X 62 62 TYR HA H 55 4.243 4.257 -0.014 1
1 699 . 21 1 1 X 62 62 TYR C C 55 178.634 178.891 -0.257 1
1 700 . 21 1 1 X 62 62 TYR CA C 55 61.518 60.555 0.963 1
1 701 . 21 1 1 X 62 62 TYR CB C 55 37.566 37.989 -0.423 1
1 706 . 21 1 1 X 62 62 TYR N N 55 117.898 118.732 -0.834 1
1 707 . 21 1 1 X 63 63 GLU H H 56 8.659 9.090 -0.431 1
1 708 . 21 1 1 X 63 63 GLU HA H 56 4.441 4.123 0.318 1
1 713 . 21 1 1 X 63 63 GLU C C 56 177.785 178.815 -1.030 1
1 714 . 21 1 1 X 63 63 GLU CA C 56 57.658 59.370 -1.712 1
1 715 . 21 1 1 X 63 63 GLU CB C 56 29.034 29.116 -0.082 1
1 717 . 21 1 1 X 63 63 GLU N N 56 119.392 117.861 1.531 1
1 718 . 21 1 1 X 64 64 ALA H H 57 7.164 7.982 -0.818 1
1 719 . 21 1 1 X 64 64 ALA HA H 57 4.021 4.112 -0.091 1
1 723 . 21 1 1 X 64 64 ALA C C 57 180.327 180.098 0.229 1
1 724 . 21 1 1 X 64 64 ALA CA C 57 55.759 54.984 0.775 1
1 725 . 21 1 1 X 64 64 ALA CB C 57 18.615 17.979 0.636 1
1 726 . 21 1 1 X 64 64 ALA N N 57 121.778 122.247 -0.469 1
1 727 . 21 1 1 X 65 65 ALA H H 58 8.076 8.005 0.071 1
1 728 . 21 1 1 X 65 65 ALA HA H 58 4.137 3.971 0.166 1
1 732 . 21 1 1 X 65 65 ALA C C 58 180.248 179.411 0.837 1
1 733 . 21 1 1 X 65 65 ALA CA C 58 55.104 55.000 0.104 1
1 734 . 21 1 1 X 65 65 ALA CB C 58 18.071 18.174 -0.103 1
1 735 . 21 1 1 X 65 65 ALA N N 58 120.307 119.618 0.689 1
1 736 . 21 1 1 X 66 66 ALA H H 59 7.893 7.585 0.308 1
1 737 . 21 1 1 X 66 66 ALA HA H 59 4.170 4.049 0.121 1
1 741 . 21 1 1 X 66 66 ALA C C 59 180.838 179.532 1.306 1
1 742 . 21 1 1 X 66 66 ALA CA C 59 54.800 55.088 -0.288 1
1 743 . 21 1 1 X 66 66 ALA CB C 59 18.184 17.883 0.301 1
1 744 . 21 1 1 X 66 66 ALA N N 59 122.126 120.096 2.030 1
1 745 . 21 1 1 X 67 67 ARG H H 60 8.139 8.729 -0.590 1
1 746 . 21 1 1 X 67 67 ARG HA H 60 4.065 3.954 0.111 1
1 753 . 21 1 1 X 67 67 ARG C C 60 178.779 178.283 0.496 1
1 754 . 21 1 1 X 67 67 ARG CA C 60 59.282 59.757 -0.475 1
1 755 . 21 1 1 X 67 67 ARG CB C 60 30.863 29.979 0.884 1
1 758 . 21 1 1 X 67 67 ARG N N 60 118.948 118.093 0.855 1
1 759 . 21 1 1 X 68 68 ALA H H 61 7.891 8.424 -0.533 1
1 760 . 21 1 1 X 68 68 ALA HA H 61 4.141 4.128 0.013 1
1 764 . 21 1 1 X 68 68 ALA C C 61 179.329 179.865 -0.536 1
1 765 . 21 1 1 X 68 68 ALA CA C 61 54.340 54.917 -0.577 1
1 766 . 21 1 1 X 68 68 ALA CB C 61 18.528 18.382 0.146 1
1 767 . 21 1 1 X 68 68 ALA N N 61 121.473 121.934 -0.461 1
1 768 . 21 1 1 X 69 69 ALA H H 62 7.663 7.798 -0.135 1
1 769 . 21 1 1 X 69 69 ALA HA H 62 4.133 3.989 0.144 1
1 773 . 21 1 1 X 69 69 ALA C C 62 178.591 179.539 -0.948 1
1 774 . 21 1 1 X 69 69 ALA CA C 62 53.863 55.027 -1.164 1
1 775 . 21 1 1 X 69 69 ALA CB C 62 18.438 18.148 0.290 1
1 776 . 21 1 1 X 69 69 ALA N N 62 118.937 120.410 -1.473 1
1 777 . 21 1 1 X 70 70 ALA H H 63 7.488 7.215 0.273 1
1 778 . 21 1 1 X 70 70 ALA HA H 63 4.280 4.131 0.149 1
1 782 . 21 1 1 X 70 70 ALA C C 63 177.318 177.689 -0.371 1
1 783 . 21 1 1 X 70 70 ALA CA C 63 52.981 54.964 -1.983 1
1 784 . 21 1 1 X 70 70 ALA CB C 63 19.324 19.310 0.014 1
1 785 . 21 1 1 X 70 70 ALA N N 63 118.642 117.943 0.699 1
1 786 . 21 1 1 X 71 71 ASN H H 64 7.631 8.416 -0.785 1
1 787 . 21 1 1 X 71 71 ASN HA H 64 5.077 4.371 0.706 1
1 792 . 21 1 1 X 71 71 ASN CA C 64 50.877 53.894 -3.017 1
1 793 . 21 1 1 X 71 71 ASN CB C 64 39.243 36.964 2.279 1
1 795 . 21 1 1 X 71 71 ASN N N 64 116.008 116.173 -0.165 1
1 797 . 21 1 1 X 72 72 PRO HA H 65 4.468 4.633 -0.165 1
1 804 . 21 1 1 X 72 72 PRO CA C 65 64.454 62.356 2.098 1
1 805 . 21 1 1 X 72 72 PRO CB C 65 32.007 32.681 -0.674 1
1 808 . 21 1 1 X 73 73 GLY H H 66 8.608 8.595 0.013 1
1 809 . 21 1 1 X 73 73 GLY HA2 H 66 3.978 3.970 0.008 1
1 810 . 21 1 1 X 73 73 GLY HA3 H 66 3.978 3.971 0.007 1
1 811 . 21 1 1 X 73 73 GLY C C 66 175.054 174.779 0.275 1
1 812 . 21 1 1 X 73 73 GLY CA C 66 45.521 44.769 0.752 1
1 813 . 21 1 1 X 73 73 GLY N N 66 109.435 107.718 1.717 1
1 814 . 21 1 1 X 74 74 GLY H H 67 8.085 8.565 -0.480 1
1 815 . 21 1 1 X 74 74 GLY HA2 H 67 4.132 3.902 0.230 1
1 816 . 21 1 1 X 74 74 GLY HA3 H 67 3.896 3.904 -0.008 1
1 817 . 21 1 1 X 74 74 GLY C C 67 174.008 174.053 -0.045 1
1 818 . 21 1 1 X 74 74 GLY CA C 67 45.450 46.952 -1.502 1
1 819 . 21 1 1 X 74 74 GLY N N 67 108.472 108.442 0.030 1
1 820 . 21 1 1 X 75 75 ASP H H 68 8.307 8.534 -0.227 1
1 821 . 21 1 1 X 75 75 ASP HA H 68 4.646 4.799 -0.153 1
1 824 . 21 1 1 X 75 75 ASP C C 68 176.933 175.891 1.042 1
1 825 . 21 1 1 X 75 75 ASP CA C 68 54.226 53.321 0.905 1
1 826 . 21 1 1 X 75 75 ASP CB C 68 41.486 39.885 1.601 1
1 827 . 21 1 1 X 75 75 ASP N N 68 119.941 124.812 -4.871 1
1 828 . 21 1 1 X 76 76 GLY H H 69 8.502 8.534 -0.032 1
1 829 . 21 1 1 X 76 76 GLY HA2 H 69 3.966 4.080 -0.114 1
1 830 . 21 1 1 X 76 76 GLY HA3 H 69 3.951 4.084 -0.133 1
1 831 . 21 1 1 X 76 76 GLY C C 69 174.771 173.584 1.187 1
1 832 . 21 1 1 X 76 76 GLY CA C 69 45.744 44.867 0.877 1
1 833 . 21 1 1 X 76 76 GLY N N 69 109.061 111.425 -2.364 1
1 834 . 21 1 1 X 77 77 GLY H H 70 8.367 8.592 -0.225 1
1 835 . 21 1 1 X 77 77 GLY HA2 H 70 4.092 4.003 0.089 1
1 836 . 21 1 1 X 77 77 GLY HA3 H 70 3.920 4.007 -0.087 1
1 837 . 21 1 1 X 77 77 GLY C C 70 174.782 173.960 0.822 1
1 838 . 21 1 1 X 77 77 GLY CA C 70 45.327 45.973 -0.646 1
1 839 . 21 1 1 X 77 77 GLY N N 70 108.393 107.175 1.218 1
1 840 . 21 1 1 X 78 78 GLY H H 71 8.263 8.281 -0.018 1
1 841 . 21 1 1 X 78 78 GLY HA2 H 71 4.205 4.200 0.005 1
1 842 . 21 1 1 X 78 78 GLY HA3 H 71 4.092 4.212 -0.120 1
1 843 . 21 1 1 X 78 78 GLY CA C 71 45.581 45.172 0.409 1
1 844 . 21 1 1 X 78 78 GLY N N 71 108.388 109.879 -1.491 1
1 845 . 21 1 1 X 79 79 PRO HA H 72 4.199 4.233 -0.034 1
1 852 . 21 1 1 X 79 79 PRO C C 72 178.000 177.802 0.198 1
1 853 . 21 1 1 X 79 79 PRO CA C 72 65.568 65.245 0.323 1
1 854 . 21 1 1 X 79 79 PRO CB C 72 32.864 31.811 1.053 1
1 857 . 21 1 1 X 80 80 GLU H H 73 9.283 8.504 0.779 1
1 858 . 21 1 1 X 80 80 GLU HA H 73 3.833 4.167 -0.334 1
1 863 . 21 1 1 X 80 80 GLU C C 73 179.587 177.835 1.752 1
1 864 . 21 1 1 X 80 80 GLU CA C 73 61.125 58.063 3.062 1
1 865 . 21 1 1 X 80 80 GLU CB C 73 28.576 29.148 -0.572 1
1 867 . 21 1 1 X 80 80 GLU N N 73 117.078 116.961 0.117 1
1 868 . 21 1 1 X 81 81 GLY H H 74 7.926 7.711 0.215 1
1 869 . 21 1 1 X 81 81 GLY HA2 H 74 3.964 4.026 -0.062 1
1 870 . 21 1 1 X 81 81 GLY HA3 H 74 3.914 4.037 -0.123 1
1 871 . 21 1 1 X 81 81 GLY C C 74 176.538 176.087 0.451 1
1 872 . 21 1 1 X 81 81 GLY CA C 74 47.084 45.717 1.367 1
1 873 . 21 1 1 X 81 81 GLY N N 74 108.577 108.200 0.377 1
1 874 . 21 1 1 X 82 82 ILE H H 75 7.593 7.975 -0.382 1
1 875 . 21 1 1 X 82 82 ILE HA H 75 3.873 3.941 -0.068 1
1 885 . 21 1 1 X 82 82 ILE C C 75 178.147 178.191 -0.044 1
1 886 . 21 1 1 X 82 82 ILE CA C 75 65.342 64.889 0.453 1
1 887 . 21 1 1 X 82 82 ILE CB C 75 38.163 37.275 0.888 1
1 891 . 21 1 1 X 82 82 ILE N N 75 123.572 119.431 4.141 1
1 892 . 21 1 1 X 83 83 VAL H H 76 8.135 7.760 0.375 1
1 893 . 21 1 1 X 83 83 VAL HA H 76 3.575 4.213 -0.638 1
1 901 . 21 1 1 X 83 83 VAL C C 76 177.094 178.103 -1.009 1
1 902 . 21 1 1 X 83 83 VAL CA C 76 68.153 65.763 2.390 1
1 903 . 21 1 1 X 83 83 VAL CB C 76 31.653 31.377 0.276 1
1 906 . 21 1 1 X 83 83 VAL N N 76 118.553 121.518 -2.965 1
1 907 . 21 1 1 X 84 84 LYS H H 77 7.803 8.173 -0.370 1
1 908 . 21 1 1 X 84 84 LYS HA H 77 4.006 4.113 -0.107 1
1 917 . 21 1 1 X 84 84 LYS C C 77 178.064 178.951 -0.887 1
1 918 . 21 1 1 X 84 84 LYS CA C 77 60.516 59.438 1.078 1
1 919 . 21 1 1 X 84 84 LYS CB C 77 32.849 32.331 0.518 1
1 923 . 21 1 1 X 84 84 LYS N N 77 119.572 121.167 -1.595 1
1 924 . 21 1 1 X 85 85 GLU H H 78 7.629 7.853 -0.224 1
1 925 . 21 1 1 X 85 85 GLU HA H 78 4.246 4.244 0.002 1
1 930 . 21 1 1 X 85 85 GLU C C 78 179.834 179.392 0.442 1
1 931 . 21 1 1 X 85 85 GLU CA C 78 59.752 58.820 0.932 1
1 932 . 21 1 1 X 85 85 GLU CB C 78 29.189 29.416 -0.227 1
1 934 . 21 1 1 X 85 85 GLU N N 78 118.366 118.634 -0.268 1
1 935 . 21 1 1 X 86 86 ILE H H 79 8.432 7.968 0.464 1
1 936 . 21 1 1 X 86 86 ILE HA H 79 3.781 3.716 0.065 1
1 946 . 21 1 1 X 86 86 ILE C C 79 177.578 178.145 -0.567 1
1 947 . 21 1 1 X 86 86 ILE CA C 79 65.454 64.972 0.482 1
1 948 . 21 1 1 X 86 86 ILE CB C 79 37.940 37.932 0.008 1
1 952 . 21 1 1 X 86 86 ILE N N 79 118.975 121.055 -2.080 1
1 953 . 21 1 1 X 87 87 LYS H H 80 9.096 8.676 0.420 1
1 954 . 21 1 1 X 87 87 LYS HA H 80 3.958 4.005 -0.047 1
1 963 . 21 1 1 X 87 87 LYS C C 80 180.285 178.621 1.664 1
1 964 . 21 1 1 X 87 87 LYS CA C 80 60.290 59.165 1.125 1
1 965 . 21 1 1 X 87 87 LYS CB C 80 33.299 32.299 1.000 1
1 969 . 21 1 1 X 87 87 LYS N N 80 119.805 120.724 -0.919 1
1 970 . 21 1 1 X 88 88 GLU H H 81 8.508 7.902 0.606 1
1 971 . 21 1 1 X 88 88 GLU HA H 81 4.099 4.100 -0.001 1
1 976 . 21 1 1 X 88 88 GLU C C 81 179.195 179.019 0.176 1
1 977 . 21 1 1 X 88 88 GLU CA C 81 59.632 59.137 0.495 1
1 978 . 21 1 1 X 88 88 GLU CB C 81 29.649 29.362 0.287 1
1 980 . 21 1 1 X 88 88 GLU N N 81 118.920 119.375 -0.455 1
1 981 . 21 1 1 X 89 89 TRP H H 82 8.682 8.015 0.667 1
1 982 . 21 1 1 X 89 89 TRP HA H 82 4.201 4.297 -0.096 1
1 991 . 21 1 1 X 89 89 TRP C C 82 179.807 177.887 1.920 1
1 992 . 21 1 1 X 89 89 TRP CA C 82 63.110 60.936 2.174 1
1 993 . 21 1 1 X 89 89 TRP CB C 82 29.285 29.663 -0.378 1
1 999 . 21 1 1 X 89 89 TRP N N 82 122.152 122.400 -0.248 1
1 1001 . 21 1 1 X 90 90 ARG H H 83 9.025 8.459 0.566 1
1 1002 . 21 1 1 X 90 90 ARG HA H 83 3.295 3.945 -0.650 1
1 1009 . 21 1 1 X 90 90 ARG C C 83 178.120 178.075 0.045 1
1 1010 . 21 1 1 X 90 90 ARG CA C 83 60.895 59.594 1.301 1
1 1011 . 21 1 1 X 90 90 ARG CB C 83 28.668 29.735 -1.067 1
1 1014 . 21 1 1 X 90 90 ARG N N 83 118.380 119.890 -1.510 1
1 1015 . 21 1 1 X 91 91 ALA H H 84 7.759 7.920 -0.161 1
1 1016 . 21 1 1 X 91 91 ALA HA H 84 4.151 4.122 0.029 1
1 1020 . 21 1 1 X 91 91 ALA C C 84 181.466 179.735 1.731 1
1 1021 . 21 1 1 X 91 91 ALA CA C 84 55.217 54.806 0.411 1
1 1022 . 21 1 1 X 91 91 ALA CB C 84 18.175 18.076 0.099 1
1 1023 . 21 1 1 X 91 91 ALA N N 84 120.210 120.844 -0.634 1
1 1024 . 21 1 1 X 92 92 ALA H H 85 7.943 8.025 -0.082 1
1 1025 . 21 1 1 X 92 92 ALA HA H 85 4.081 4.031 0.050 1
1 1029 . 21 1 1 X 92 92 ALA C C 85 178.324 180.279 -1.955 1
1 1030 . 21 1 1 X 92 92 ALA CA C 85 54.244 54.947 -0.703 1
1 1031 . 21 1 1 X 92 92 ALA CB C 85 18.306 18.247 0.059 1
1 1032 . 21 1 1 X 92 92 ALA N N 85 120.470 120.362 0.108 1
1 1033 . 21 1 1 X 93 93 ASN H H 86 7.005 7.681 -0.676 1
1 1034 . 21 1 1 X 93 93 ASN HA H 86 4.475 4.474 0.001 1
1 1039 . 21 1 1 X 93 93 ASN C C 86 174.108 175.339 -1.231 1
1 1040 . 21 1 1 X 93 93 ASN CA C 86 53.347 53.327 0.020 1
1 1041 . 21 1 1 X 93 93 ASN CB C 86 39.379 38.423 0.956 1
1 1043 . 21 1 1 X 93 93 ASN N N 86 113.372 113.787 -0.415 1
1 1045 . 21 1 1 X 94 94 GLY H H 87 7.535 7.697 -0.162 1
1 1046 . 21 1 1 X 94 94 GLY HA2 H 87 3.810 3.870 -0.060 1
1 1047 . 21 1 1 X 94 94 GLY HA3 H 87 3.810 3.881 -0.071 1
1 1048 . 21 1 1 X 94 94 GLY C C 87 174.481 173.905 0.576 1
1 1049 . 21 1 1 X 94 94 GLY CA C 87 47.230 45.502 1.728 1
1 1050 . 21 1 1 X 94 94 GLY N N 87 108.152 107.349 0.803 1
1 1051 . 21 1 1 X 95 95 LYS H H 88 8.037 8.177 -0.140 1
1 1052 . 21 1 1 X 95 95 LYS HA H 88 4.654 4.716 -0.062 1
1 1061 . 21 1 1 X 95 95 LYS CA C 88 53.357 52.917 0.440 1
1 1062 . 21 1 1 X 95 95 LYS CB C 88 32.741 33.583 -0.842 1
1 1066 . 21 1 1 X 95 95 LYS N N 88 119.147 120.426 -1.279 1
1 1067 . 21 1 1 X 96 96 PRO HA H 89 4.275 4.352 -0.077 1
1 1074 . 21 1 1 X 96 96 PRO C C 89 176.696 176.876 -0.180 1
1 1075 . 21 1 1 X 96 96 PRO CA C 89 63.482 63.449 0.033 1
1 1076 . 21 1 1 X 96 96 PRO CB C 89 32.981 31.843 1.138 1
1 1079 . 21 1 1 X 97 97 GLY H H 90 8.336 8.439 -0.103 1
1 1080 . 21 1 1 X 97 97 GLY HA2 H 90 4.074 3.829 0.245 1
1 1081 . 21 1 1 X 97 97 GLY HA3 H 90 3.615 3.888 -0.273 1
1 1082 . 21 1 1 X 97 97 GLY C C 90 173.388 173.504 -0.116 1
1 1083 . 21 1 1 X 97 97 GLY CA C 90 43.347 44.201 -0.854 1
1 1084 . 21 1 1 X 97 97 GLY N N 90 110.343 107.684 2.659 1
1 1085 . 21 1 1 X 98 98 PHE H H 91 7.749 8.215 -0.466 1
1 1086 . 21 1 1 X 98 98 PHE HA H 91 4.527 4.747 -0.220 1
1 1094 . 21 1 1 X 98 98 PHE C C 91 177.021 175.597 1.424 1
1 1095 . 21 1 1 X 98 98 PHE CA C 91 59.184 58.160 1.024 1
1 1096 . 21 1 1 X 98 98 PHE CB C 91 40.005 40.255 -0.250 1
1 1102 . 21 1 1 X 98 98 PHE N N 91 116.151 120.734 -4.583 1
1 1103 . 21 1 1 X 99 99 LYS H H 92 8.531 8.917 -0.386 1
1 1104 . 21 1 1 X 99 99 LYS HA H 92 4.178 4.636 -0.458 1
1 1113 . 21 1 1 X 99 99 LYS C C 92 176.542 175.701 0.841 1
1 1114 . 21 1 1 X 99 99 LYS CA C 92 57.292 55.705 1.587 1
1 1115 . 21 1 1 X 99 99 LYS CB C 92 32.875 33.874 -0.999 1
1 1119 . 21 1 1 X 99 99 LYS N N 92 123.602 119.758 3.844 1
1 1120 . 21 1 1 X 100 100 GLN H H 93 8.633 8.433 0.200 1
1 1121 . 21 1 1 X 100 100 GLN HA H 93 4.297 5.309 -1.012 1
1 1128 . 21 1 1 X 100 100 GLN C C 93 175.318 175.881 -0.563 1
1 1129 . 21 1 1 X 100 100 GLN CA C 93 56.479 54.114 2.365 1
1 1130 . 21 1 1 X 100 100 GLN CB C 93 29.751 31.703 -1.952 1
1 1133 . 21 1 1 X 100 100 GLN N N 93 125.089 119.141 5.948 1
1 12 . 22 1 1 X 10 10 LEU H H 3 8.121 8.651 -0.530 1
1 13 . 22 1 1 X 10 10 LEU HA H 3 4.240 5.445 -1.205 1
1 23 . 22 1 1 X 10 10 LEU C C 3 176.909 176.282 0.627 1
1 24 . 22 1 1 X 10 10 LEU CA C 3 54.748 53.733 1.015 1
1 25 . 22 1 1 X 10 10 LEU CB C 3 41.272 43.059 -1.787 1
1 29 . 22 1 1 X 10 10 LEU N N 3 123.688 123.222 0.466 1
1 30 . 22 1 1 X 11 11 LYS H H 4 7.677 9.079 -1.402 1
1 31 . 22 1 1 X 11 11 LYS HA H 4 4.404 4.626 -0.222 1
1 40 . 22 1 1 X 11 11 LYS C C 4 176.184 177.044 -0.860 1
1 41 . 22 1 1 X 11 11 LYS CA C 4 55.828 54.658 1.170 1
1 42 . 22 1 1 X 11 11 LYS CB C 4 33.482 33.914 -0.432 1
1 46 . 22 1 1 X 11 11 LYS N N 4 122.221 123.180 -0.959 1
1 47 . 22 1 1 X 12 12 ASN H H 5 8.538 8.749 -0.211 1
1 48 . 22 1 1 X 12 12 ASN HA H 5 4.685 5.049 -0.364 1
1 53 . 22 1 1 X 12 12 ASN C C 5 174.925 175.326 -0.401 1
1 54 . 22 1 1 X 12 12 ASN CA C 5 55.721 54.141 1.580 1
1 55 . 22 1 1 X 12 12 ASN CB C 5 40.409 41.147 -0.738 1
1 57 . 22 1 1 X 12 12 ASN N N 5 116.610 118.133 -1.523 1
1 59 . 22 1 1 X 13 13 SER H H 6 8.144 7.781 0.363 1
1 60 . 22 1 1 X 13 13 SER HA H 6 4.819 4.854 -0.035 1
1 63 . 22 1 1 X 13 13 SER C C 6 175.123 175.326 -0.203 1
1 64 . 22 1 1 X 13 13 SER CA C 6 56.778 55.409 1.369 1
1 65 . 22 1 1 X 13 13 SER CB C 6 65.949 66.974 -1.025 1
1 66 . 22 1 1 X 13 13 SER N N 6 112.138 111.014 1.124 1
1 67 . 22 1 1 X 14 14 ILE H H 7 9.318 8.778 0.540 1
1 68 . 22 1 1 X 14 14 ILE HA H 7 3.966 4.173 -0.207 1
1 78 . 22 1 1 X 14 14 ILE C C 7 175.537 178.364 -2.827 1
1 79 . 22 1 1 X 14 14 ILE CA C 7 64.956 63.930 1.026 1
1 80 . 22 1 1 X 14 14 ILE CB C 7 37.062 37.764 -0.702 1
1 84 . 22 1 1 X 14 14 ILE N N 7 126.034 124.387 1.647 1
1 85 . 22 1 1 X 15 15 SER H H 8 7.504 8.277 -0.773 1
1 86 . 22 1 1 X 15 15 SER HA H 8 4.694 4.388 0.306 1
1 89 . 22 1 1 X 15 15 SER C C 8 174.278 174.731 -0.453 1
1 90 . 22 1 1 X 15 15 SER CA C 8 59.481 61.034 -1.553 1
1 91 . 22 1 1 X 15 15 SER CB C 8 63.241 63.446 -0.205 1
1 92 . 22 1 1 X 15 15 SER N N 8 112.517 117.689 -5.172 1
1 93 . 22 1 1 X 16 16 ASP H H 9 7.783 7.709 0.074 1
1 94 . 22 1 1 X 16 16 ASP HA H 9 4.791 4.750 0.041 1
1 97 . 22 1 1 X 16 16 ASP C C 9 175.976 175.904 0.072 1
1 98 . 22 1 1 X 16 16 ASP CA C 9 55.243 53.390 1.853 1
1 99 . 22 1 1 X 16 16 ASP CB C 9 43.327 41.042 2.285 1
1 100 . 22 1 1 X 16 16 ASP N N 9 117.795 119.747 -1.952 1
1 101 . 22 1 1 X 17 17 TYR H H 10 8.279 7.757 0.522 1
1 102 . 22 1 1 X 17 17 TYR HA H 10 4.962 5.028 -0.066 1
1 109 . 22 1 1 X 17 17 TYR C C 10 177.535 176.159 1.376 1
1 110 . 22 1 1 X 17 17 TYR CA C 10 58.573 57.517 1.056 1
1 111 . 22 1 1 X 17 17 TYR CB C 10 41.015 40.340 0.675 1
1 116 . 22 1 1 X 17 17 TYR N N 10 120.484 119.190 1.294 1
1 117 . 22 1 1 X 18 18 THR H H 11 8.796 8.932 -0.136 1
1 118 . 22 1 1 X 18 18 THR HA H 11 5.040 5.199 -0.159 1
1 123 . 22 1 1 X 18 18 THR C C 11 176.099 175.983 0.116 1
1 124 . 22 1 1 X 18 18 THR CA C 11 60.775 60.479 0.296 1
1 125 . 22 1 1 X 18 18 THR CB C 11 71.041 71.631 -0.590 1
1 127 . 22 1 1 X 18 18 THR N N 11 112.143 116.024 -3.881 1
1 128 . 22 1 1 X 19 19 GLU H H 12 9.173 9.007 0.166 1
1 129 . 22 1 1 X 19 19 GLU HA H 12 2.757 3.648 -0.891 1
1 134 . 22 1 1 X 19 19 GLU C C 12 178.378 178.783 -0.405 1
1 135 . 22 1 1 X 19 19 GLU CA C 12 60.906 59.134 1.772 1
1 136 . 22 1 1 X 19 19 GLU CB C 12 29.442 29.095 0.347 1
1 138 . 22 1 1 X 19 19 GLU N N 12 122.386 120.148 2.238 1
1 139 . 22 1 1 X 20 20 ALA H H 13 8.356 8.220 0.136 1
1 140 . 22 1 1 X 20 20 ALA HA H 13 4.069 4.220 -0.151 1
1 144 . 22 1 1 X 20 20 ALA C C 13 181.816 179.499 2.317 1
1 145 . 22 1 1 X 20 20 ALA CA C 13 55.388 54.858 0.530 1
1 146 . 22 1 1 X 20 20 ALA CB C 13 18.308 18.529 -0.221 1
1 147 . 22 1 1 X 20 20 ALA N N 13 118.695 122.116 -3.421 1
1 148 . 22 1 1 X 21 21 GLU H H 14 8.013 8.252 -0.239 1
1 149 . 22 1 1 X 21 21 GLU HA H 14 4.131 4.105 0.026 1
1 154 . 22 1 1 X 21 21 GLU C C 14 179.649 179.215 0.434 1
1 155 . 22 1 1 X 21 21 GLU CA C 14 58.916 59.102 -0.186 1
1 156 . 22 1 1 X 21 21 GLU CB C 14 31.632 29.524 2.108 1
1 158 . 22 1 1 X 21 21 GLU N N 14 118.978 119.360 -0.382 1
1 159 . 22 1 1 X 22 22 PHE H H 15 8.635 8.335 0.300 1
1 160 . 22 1 1 X 22 22 PHE HA H 15 4.049 4.246 -0.197 1
1 167 . 22 1 1 X 22 22 PHE C C 15 177.402 177.655 -0.253 1
1 168 . 22 1 1 X 22 22 PHE CA C 15 62.183 61.274 0.909 1
1 169 . 22 1 1 X 22 22 PHE CB C 15 40.545 38.882 1.663 1
1 174 . 22 1 1 X 22 22 PHE N N 15 124.639 121.837 2.802 1
1 175 . 22 1 1 X 23 23 VAL H H 16 8.647 8.619 0.028 1
1 176 . 22 1 1 X 23 23 VAL HA H 16 3.416 3.743 -0.327 1
1 184 . 22 1 1 X 23 23 VAL C C 16 177.798 177.711 0.087 1
1 185 . 22 1 1 X 23 23 VAL CA C 16 67.917 66.726 1.191 1
1 186 . 22 1 1 X 23 23 VAL CB C 16 31.579 30.826 0.753 1
1 189 . 22 1 1 X 23 23 VAL N N 16 119.817 118.666 1.151 1
1 190 . 22 1 1 X 24 24 GLN H H 17 7.569 8.054 -0.485 1
1 191 . 22 1 1 X 24 24 GLN HA H 17 3.943 3.976 -0.033 1
1 198 . 22 1 1 X 24 24 GLN C C 17 178.313 178.138 0.175 1
1 199 . 22 1 1 X 24 24 GLN CA C 17 59.289 59.059 0.230 1
1 200 . 22 1 1 X 24 24 GLN CB C 17 27.814 28.110 -0.296 1
1 203 . 22 1 1 X 24 24 GLN N N 17 117.658 121.049 -3.391 1
1 205 . 22 1 1 X 25 25 LEU H H 18 7.512 7.575 -0.063 1
1 206 . 22 1 1 X 25 25 LEU HA H 18 4.136 4.003 0.133 1
1 216 . 22 1 1 X 25 25 LEU C C 18 178.440 178.080 0.360 1
1 217 . 22 1 1 X 25 25 LEU CA C 18 58.651 58.117 0.534 1
1 218 . 22 1 1 X 25 25 LEU CB C 18 40.626 41.175 -0.549 1
1 222 . 22 1 1 X 25 25 LEU N N 18 122.037 121.042 0.995 1
1 223 . 22 1 1 X 26 26 LEU H H 19 7.761 8.221 -0.460 1
1 224 . 22 1 1 X 26 26 LEU HA H 19 3.748 3.598 0.150 1
1 234 . 22 1 1 X 26 26 LEU C C 19 180.080 179.296 0.784 1
1 235 . 22 1 1 X 26 26 LEU CA C 19 58.041 57.640 0.401 1
1 236 . 22 1 1 X 26 26 LEU CB C 19 41.009 41.236 -0.227 1
1 240 . 22 1 1 X 26 26 LEU N N 19 118.502 118.279 0.223 1
1 241 . 22 1 1 X 27 27 LYS H H 20 8.357 8.358 -0.001 1
1 242 . 22 1 1 X 27 27 LYS HA H 20 4.019 3.942 0.077 1
1 251 . 22 1 1 X 27 27 LYS C C 20 179.559 179.469 0.090 1
1 252 . 22 1 1 X 27 27 LYS CA C 20 59.648 59.874 -0.226 1
1 253 . 22 1 1 X 27 27 LYS CB C 20 31.995 32.111 -0.116 1
1 257 . 22 1 1 X 27 27 LYS N N 20 120.427 118.342 2.085 1
1 258 . 22 1 1 X 28 28 GLU H H 21 8.123 8.088 0.035 1
1 259 . 22 1 1 X 28 28 GLU HA H 21 4.082 3.997 0.085 1
1 264 . 22 1 1 X 28 28 GLU C C 21 179.063 179.395 -0.332 1
1 265 . 22 1 1 X 28 28 GLU CA C 21 59.406 59.105 0.301 1
1 266 . 22 1 1 X 28 28 GLU CB C 21 29.146 29.576 -0.430 1
1 268 . 22 1 1 X 28 28 GLU N N 21 122.374 120.009 2.365 1
1 269 . 22 1 1 X 29 29 ILE H H 22 8.049 8.485 -0.436 1
1 270 . 22 1 1 X 29 29 ILE HA H 22 3.343 3.592 -0.249 1
1 280 . 22 1 1 X 29 29 ILE C C 22 177.151 177.939 -0.788 1
1 281 . 22 1 1 X 29 29 ILE CA C 22 66.435 65.580 0.855 1
1 282 . 22 1 1 X 29 29 ILE CB C 22 37.954 37.635 0.319 1
1 286 . 22 1 1 X 29 29 ILE N N 22 120.195 120.842 -0.647 1
1 287 . 22 1 1 X 30 30 GLU H H 23 7.820 7.878 -0.058 1
1 288 . 22 1 1 X 30 30 GLU HA H 23 3.983 3.754 0.229 1
1 293 . 22 1 1 X 30 30 GLU C C 23 178.990 179.146 -0.156 1
1 294 . 22 1 1 X 30 30 GLU CA C 23 59.460 59.772 -0.312 1
1 295 . 22 1 1 X 30 30 GLU CB C 23 30.012 29.319 0.693 1
1 297 . 22 1 1 X 30 30 GLU N N 23 118.917 118.848 0.069 1
1 298 . 22 1 1 X 31 31 LYS H H 24 7.678 7.596 0.082 1
1 299 . 22 1 1 X 31 31 LYS HA H 24 4.059 3.933 0.126 1
1 308 . 22 1 1 X 31 31 LYS C C 24 179.231 178.664 0.567 1
1 309 . 22 1 1 X 31 31 LYS CA C 24 59.152 59.719 -0.567 1
1 310 . 22 1 1 X 31 31 LYS CB C 24 32.712 32.381 0.331 1
1 314 . 22 1 1 X 31 31 LYS N N 24 118.807 119.959 -1.152 1
1 315 . 22 1 1 X 32 32 GLU H H 25 8.182 7.823 0.359 1
1 316 . 22 1 1 X 32 32 GLU HA H 25 4.309 4.085 0.224 1
1 321 . 22 1 1 X 32 32 GLU C C 25 177.897 179.000 -1.103 1
1 322 . 22 1 1 X 32 32 GLU CA C 25 57.449 59.073 -1.624 1
1 323 . 22 1 1 X 32 32 GLU CB C 25 29.522 29.616 -0.094 1
1 325 . 22 1 1 X 32 32 GLU N N 25 118.578 117.635 0.943 1
1 326 . 22 1 1 X 33 33 ASN H H 26 8.343 8.386 -0.043 1
1 327 . 22 1 1 X 33 33 ASN HA H 26 4.608 4.387 0.221 1
1 330 . 22 1 1 X 33 33 ASN C C 26 176.524 177.431 -0.907 1
1 331 . 22 1 1 X 33 33 ASN CA C 26 55.463 56.461 -0.998 1
1 332 . 22 1 1 X 33 33 ASN CB C 26 39.074 39.042 0.032 1
1 333 . 22 1 1 X 33 33 ASN N N 26 118.483 118.708 -0.225 1
1 334 . 22 1 1 X 34 34 VAL H H 27 7.434 7.385 0.049 1
1 335 . 22 1 1 X 34 34 VAL HA H 27 4.182 4.188 -0.006 1
1 343 . 22 1 1 X 34 34 VAL C C 27 176.315 176.320 -0.005 1
1 344 . 22 1 1 X 34 34 VAL CA C 27 62.829 63.213 -0.384 1
1 345 . 22 1 1 X 34 34 VAL CB C 27 32.178 31.727 0.451 1
1 348 . 22 1 1 X 34 34 VAL N N 27 114.036 114.754 -0.718 1
1 349 . 22 1 1 X 35 35 ALA H H 28 7.648 7.525 0.123 1
1 350 . 22 1 1 X 35 35 ALA HA H 28 4.346 4.360 -0.014 1
1 354 . 22 1 1 X 35 35 ALA C C 28 177.126 176.612 0.514 1
1 355 . 22 1 1 X 35 35 ALA CA C 28 52.712 51.248 1.464 1
1 356 . 22 1 1 X 35 35 ALA CB C 28 19.915 18.870 1.045 1
1 357 . 22 1 1 X 35 35 ALA N N 28 124.066 124.042 0.024 1
1 358 . 22 1 1 X 36 36 ALA H H 29 8.337 7.848 0.489 1
1 359 . 22 1 1 X 36 36 ALA HA H 29 4.260 4.003 0.257 1
1 363 . 22 1 1 X 36 36 ALA C C 29 177.999 177.732 0.267 1
1 364 . 22 1 1 X 36 36 ALA CA C 29 53.660 52.823 0.837 1
1 365 . 22 1 1 X 36 36 ALA CB C 29 19.175 17.560 1.615 1
1 366 . 22 1 1 X 36 36 ALA N N 29 121.695 119.637 2.058 1
1 367 . 22 1 1 X 37 37 THR H H 30 8.093 8.204 -0.111 1
1 368 . 22 1 1 X 37 37 THR HA H 30 4.533 4.523 0.010 1
1 373 . 22 1 1 X 37 37 THR C C 30 174.715 175.432 -0.717 1
1 374 . 22 1 1 X 37 37 THR CA C 30 60.860 62.366 -1.506 1
1 375 . 22 1 1 X 37 37 THR CB C 30 70.424 70.723 -0.299 1
1 377 . 22 1 1 X 37 37 THR N N 30 110.112 114.128 -4.016 1
1 378 . 22 1 1 X 38 38 ASP H H 31 8.488 8.237 0.251 1
1 379 . 22 1 1 X 38 38 ASP HA H 31 4.685 4.572 0.113 1
1 382 . 22 1 1 X 38 38 ASP C C 31 175.896 176.511 -0.615 1
1 383 . 22 1 1 X 38 38 ASP CA C 31 54.704 56.217 -1.513 1
1 384 . 22 1 1 X 38 38 ASP CB C 31 41.389 40.482 0.907 1
1 385 . 22 1 1 X 38 38 ASP N N 31 121.899 121.411 0.488 1
1 386 . 22 1 1 X 39 39 ASP H H 32 8.368 8.660 -0.292 1
1 387 . 22 1 1 X 39 39 ASP HA H 32 4.459 4.402 0.057 1
1 390 . 22 1 1 X 39 39 ASP C C 32 177.499 178.290 -0.791 1
1 391 . 22 1 1 X 39 39 ASP CA C 32 56.443 57.368 -0.925 1
1 392 . 22 1 1 X 39 39 ASP CB C 32 40.737 41.349 -0.612 1
1 393 . 22 1 1 X 39 39 ASP N N 32 118.770 119.609 -0.839 1
1 394 . 22 1 1 X 40 40 VAL H H 33 7.963 7.970 -0.007 1
1 395 . 22 1 1 X 40 40 VAL HA H 33 3.800 3.893 -0.093 1
1 403 . 22 1 1 X 40 40 VAL C C 33 177.362 177.418 -0.056 1
1 404 . 22 1 1 X 40 40 VAL CA C 33 64.970 64.723 0.247 1
1 405 . 22 1 1 X 40 40 VAL CB C 33 32.256 31.488 0.768 1
1 408 . 22 1 1 X 40 40 VAL N N 33 119.409 118.025 1.384 1
1 409 . 22 1 1 X 41 41 LEU H H 34 8.508 7.678 0.830 1
1 410 . 22 1 1 X 41 41 LEU HA H 34 3.857 3.909 -0.052 1
1 420 . 22 1 1 X 41 41 LEU C C 34 177.633 178.104 -0.471 1
1 421 . 22 1 1 X 41 41 LEU CA C 34 58.428 58.498 -0.070 1
1 422 . 22 1 1 X 41 41 LEU CB C 34 41.755 41.360 0.395 1
1 426 . 22 1 1 X 41 41 LEU N N 34 122.150 122.236 -0.086 1
1 427 . 22 1 1 X 42 42 ASP H H 35 8.236 8.532 -0.296 1
1 428 . 22 1 1 X 42 42 ASP HA H 35 4.370 4.364 0.006 1
1 431 . 22 1 1 X 42 42 ASP C C 35 179.155 178.856 0.299 1
1 432 . 22 1 1 X 42 42 ASP CA C 35 57.925 57.467 0.458 1
1 433 . 22 1 1 X 42 42 ASP CB C 35 40.417 41.131 -0.714 1
1 434 . 22 1 1 X 42 42 ASP N N 35 116.374 118.824 -2.450 1
1 435 . 22 1 1 X 43 43 VAL H H 36 7.320 7.648 -0.328 1
1 436 . 22 1 1 X 43 43 VAL HA H 36 3.782 3.628 0.154 1
1 444 . 22 1 1 X 43 43 VAL C C 36 179.309 178.131 1.178 1
1 445 . 22 1 1 X 43 43 VAL CA C 36 66.080 66.637 -0.557 1
1 446 . 22 1 1 X 43 43 VAL CB C 36 32.245 31.608 0.637 1
1 449 . 22 1 1 X 43 43 VAL N N 36 119.754 120.101 -0.347 1
1 450 . 22 1 1 X 44 44 LEU H H 37 8.122 8.594 -0.472 1
1 451 . 22 1 1 X 44 44 LEU HA H 37 4.008 4.068 -0.060 1
1 461 . 22 1 1 X 44 44 LEU C C 37 179.518 179.361 0.157 1
1 462 . 22 1 1 X 44 44 LEU CA C 37 58.048 57.842 0.206 1
1 463 . 22 1 1 X 44 44 LEU CB C 37 42.374 41.658 0.716 1
1 467 . 22 1 1 X 44 44 LEU N N 37 120.608 118.892 1.716 1
1 468 . 22 1 1 X 45 45 LEU H H 38 8.898 8.477 0.421 1
1 469 . 22 1 1 X 45 45 LEU HA H 38 4.030 3.993 0.037 1
1 479 . 22 1 1 X 45 45 LEU C C 38 179.166 179.445 -0.279 1
1 480 . 22 1 1 X 45 45 LEU CA C 38 58.184 58.217 -0.033 1
1 481 . 22 1 1 X 45 45 LEU CB C 38 41.506 41.384 0.122 1
1 485 . 22 1 1 X 45 45 LEU N N 38 119.199 118.722 0.477 1
1 486 . 22 1 1 X 46 46 GLU H H 39 7.964 8.313 -0.349 1
1 487 . 22 1 1 X 46 46 GLU HA H 39 4.066 4.055 0.011 1
1 492 . 22 1 1 X 46 46 GLU C C 39 178.995 178.957 0.038 1
1 493 . 22 1 1 X 46 46 GLU CA C 39 59.769 59.626 0.143 1
1 494 . 22 1 1 X 46 46 GLU CB C 39 29.577 29.313 0.264 1
1 496 . 22 1 1 X 46 46 GLU N N 39 119.334 118.372 0.962 1
1 497 . 22 1 1 X 47 47 HIS H H 40 8.009 8.593 -0.584 1
1 498 . 22 1 1 X 47 47 HIS HA H 40 4.416 4.389 0.027 1
1 503 . 22 1 1 X 47 47 HIS C C 40 176.115 177.046 -0.931 1
1 504 . 22 1 1 X 47 47 HIS CA C 40 60.151 58.862 1.289 1
1 505 . 22 1 1 X 47 47 HIS CB C 40 30.389 30.645 -0.256 1
1 508 . 22 1 1 X 47 47 HIS N N 40 119.610 120.281 -0.671 1
1 509 . 22 1 1 X 48 48 PHE H H 41 8.711 8.620 0.091 1
1 510 . 22 1 1 X 48 48 PHE HA H 41 3.808 4.184 -0.376 1
1 518 . 22 1 1 X 48 48 PHE C C 41 178.023 177.332 0.691 1
1 519 . 22 1 1 X 48 48 PHE CA C 41 62.654 61.318 1.336 1
1 520 . 22 1 1 X 48 48 PHE CB C 41 39.408 39.334 0.074 1
1 526 . 22 1 1 X 48 48 PHE N N 41 118.110 120.228 -2.118 1
1 527 . 22 1 1 X 49 49 VAL H H 42 8.439 8.153 0.286 1
1 528 . 22 1 1 X 49 49 VAL HA H 42 3.359 3.839 -0.480 1
1 536 . 22 1 1 X 49 49 VAL C C 42 178.340 177.535 0.805 1
1 537 . 22 1 1 X 49 49 VAL CA C 42 67.276 64.425 2.851 1
1 538 . 22 1 1 X 49 49 VAL CB C 42 32.235 31.365 0.870 1
1 541 . 22 1 1 X 49 49 VAL N N 42 121.301 118.696 2.605 1
1 542 . 22 1 1 X 50 50 LYS H H 43 8.091 8.765 -0.674 1
1 543 . 22 1 1 X 50 50 LYS HA H 43 3.973 4.018 -0.045 1
1 552 . 22 1 1 X 50 50 LYS C C 43 178.985 178.217 0.768 1
1 553 . 22 1 1 X 50 50 LYS CA C 43 59.580 58.887 0.693 1
1 554 . 22 1 1 X 50 50 LYS CB C 43 32.784 31.668 1.116 1
1 558 . 22 1 1 X 50 50 LYS N N 43 120.887 119.800 1.087 1
1 559 . 22 1 1 X 51 51 ILE H H 44 8.347 7.365 0.982 1
1 560 . 22 1 1 X 51 51 ILE HA H 44 4.159 3.824 0.335 1
1 570 . 22 1 1 X 51 51 ILE C C 44 178.121 177.921 0.200 1
1 571 . 22 1 1 X 51 51 ILE CA C 44 62.328 64.197 -1.869 1
1 572 . 22 1 1 X 51 51 ILE CB C 44 37.576 37.517 0.059 1
1 576 . 22 1 1 X 51 51 ILE N N 44 111.354 116.920 -5.566 1
1 577 . 22 1 1 X 52 52 THR H H 45 7.588 7.615 -0.027 1
1 578 . 22 1 1 X 52 52 THR HA H 45 3.683 4.064 -0.381 1
1 583 . 22 1 1 X 52 52 THR C C 45 176.285 175.193 1.092 1
1 584 . 22 1 1 X 52 52 THR CA C 45 65.803 63.341 2.462 1
1 585 . 22 1 1 X 52 52 THR CB C 45 69.689 69.797 -0.108 1
1 587 . 22 1 1 X 52 52 THR N N 45 109.646 112.795 -3.149 1
1 588 . 22 1 1 X 53 53 GLU H H 46 7.366 8.137 -0.771 1
1 589 . 22 1 1 X 53 53 GLU HA H 46 3.836 4.043 -0.207 1
1 594 . 22 1 1 X 53 53 GLU C C 46 173.418 174.763 -1.345 1
1 595 . 22 1 1 X 53 53 GLU CA C 46 57.709 57.476 0.233 1
1 596 . 22 1 1 X 53 53 GLU CB C 46 29.067 27.553 1.514 1
1 598 . 22 1 1 X 53 53 GLU N N 46 112.606 114.727 -2.121 1
1 599 . 22 1 1 X 54 54 HIS H H 47 7.127 7.160 -0.033 1
1 600 . 22 1 1 X 54 54 HIS HA H 47 3.070 3.315 -0.245 1
1 605 . 22 1 1 X 54 54 HIS CA C 47 55.826 54.827 0.999 1
1 606 . 22 1 1 X 54 54 HIS CB C 47 32.124 30.876 1.248 1
1 609 . 22 1 1 X 54 54 HIS N N 47 119.651 119.456 0.195 1
1 610 . 22 1 1 X 55 55 PRO HA H 48 4.143 4.349 -0.206 1
1 617 . 22 1 1 X 55 55 PRO CA C 48 64.843 64.027 0.816 1
1 618 . 22 1 1 X 55 55 PRO CB C 48 32.350 31.470 0.880 1
1 621 . 22 1 1 X 56 56 ASP H H 49 10.605 7.696 2.909 1
1 622 . 22 1 1 X 56 56 ASP HA H 49 4.712 5.068 -0.356 1
1 625 . 22 1 1 X 56 56 ASP C C 49 178.187 177.313 0.874 1
1 626 . 22 1 1 X 56 56 ASP CA C 49 54.989 53.617 1.372 1
1 627 . 22 1 1 X 56 56 ASP CB C 49 40.657 41.996 -1.339 1
1 628 . 22 1 1 X 56 56 ASP N N 49 121.022 118.184 2.838 1
1 629 . 22 1 1 X 57 57 GLY H H 50 8.011 8.272 -0.261 1
1 630 . 22 1 1 X 57 57 GLY HA2 H 50 4.122 3.933 0.189 1
1 631 . 22 1 1 X 57 57 GLY HA3 H 50 3.701 4.021 -0.320 1
1 632 . 22 1 1 X 57 57 GLY C C 50 175.337 175.821 -0.484 1
1 633 . 22 1 1 X 57 57 GLY CA C 50 47.435 47.470 -0.035 1
1 634 . 22 1 1 X 57 57 GLY N N 50 108.190 109.260 -1.070 1
1 635 . 22 1 1 X 58 58 THR H H 51 9.047 8.264 0.783 1
1 636 . 22 1 1 X 58 58 THR HA H 51 3.730 4.220 -0.490 1
1 641 . 22 1 1 X 58 58 THR C C 51 176.082 176.257 -0.175 1
1 642 . 22 1 1 X 58 58 THR CA C 51 64.795 65.293 -0.498 1
1 643 . 22 1 1 X 58 58 THR CB C 51 68.398 68.754 -0.356 1
1 645 . 22 1 1 X 58 58 THR N N 51 114.996 117.295 -2.299 1
1 646 . 22 1 1 X 59 59 ALA H H 52 8.142 8.204 -0.062 1
1 647 . 22 1 1 X 59 59 ALA HA H 52 4.205 4.192 0.013 1
1 651 . 22 1 1 X 59 59 ALA C C 52 179.373 180.187 -0.814 1
1 652 . 22 1 1 X 59 59 ALA CA C 52 55.625 55.220 0.405 1
1 653 . 22 1 1 X 59 59 ALA CB C 52 18.416 18.079 0.337 1
1 654 . 22 1 1 X 59 59 ALA N N 52 125.565 123.631 1.934 1
1 655 . 22 1 1 X 60 60 LEU H H 53 7.399 8.454 -1.055 1
1 656 . 22 1 1 X 60 60 LEU HA H 53 3.835 3.964 -0.129 1
1 666 . 22 1 1 X 60 60 LEU C C 53 178.601 179.258 -0.657 1
1 667 . 22 1 1 X 60 60 LEU CA C 53 58.031 58.066 -0.035 1
1 668 . 22 1 1 X 60 60 LEU CB C 53 43.487 42.002 1.485 1
1 672 . 22 1 1 X 60 60 LEU N N 53 114.763 118.142 -3.379 1
1 673 . 22 1 1 X 61 61 ILE H H 54 6.855 8.050 -1.195 1
1 674 . 22 1 1 X 61 61 ILE HA H 54 3.518 3.417 0.101 1
1 684 . 22 1 1 X 61 61 ILE C C 54 178.595 177.677 0.918 1
1 685 . 22 1 1 X 61 61 ILE CA C 54 62.989 65.006 -2.017 1
1 686 . 22 1 1 X 61 61 ILE CB C 54 38.424 37.375 1.049 1
1 690 . 22 1 1 X 61 61 ILE N N 54 114.394 119.454 -5.060 1
1 691 . 22 1 1 X 62 62 TYR H H 55 7.489 7.870 -0.381 1
1 692 . 22 1 1 X 62 62 TYR HA H 55 4.243 4.296 -0.053 1
1 699 . 22 1 1 X 62 62 TYR C C 55 178.634 178.864 -0.230 1
1 700 . 22 1 1 X 62 62 TYR CA C 55 61.518 60.608 0.910 1
1 701 . 22 1 1 X 62 62 TYR CB C 55 37.566 37.945 -0.379 1
1 706 . 22 1 1 X 62 62 TYR N N 55 117.898 119.431 -1.533 1
1 707 . 22 1 1 X 63 63 GLU H H 56 8.659 9.105 -0.446 1
1 708 . 22 1 1 X 63 63 GLU HA H 56 4.441 4.130 0.311 1
1 713 . 22 1 1 X 63 63 GLU C C 56 177.785 178.851 -1.066 1
1 714 . 22 1 1 X 63 63 GLU CA C 56 57.658 59.390 -1.732 1
1 715 . 22 1 1 X 63 63 GLU CB C 56 29.034 29.127 -0.093 1
1 717 . 22 1 1 X 63 63 GLU N N 56 119.392 117.681 1.711 1
1 718 . 22 1 1 X 64 64 ALA H H 57 7.164 8.149 -0.985 1
1 719 . 22 1 1 X 64 64 ALA HA H 57 4.021 4.126 -0.105 1
1 723 . 22 1 1 X 64 64 ALA C C 57 180.327 179.903 0.424 1
1 724 . 22 1 1 X 64 64 ALA CA C 57 55.759 54.969 0.790 1
1 725 . 22 1 1 X 64 64 ALA CB C 57 18.615 18.115 0.500 1
1 726 . 22 1 1 X 64 64 ALA N N 57 121.778 122.313 -0.535 1
1 727 . 22 1 1 X 65 65 ALA H H 58 8.076 7.994 0.082 1
1 728 . 22 1 1 X 65 65 ALA HA H 58 4.137 3.990 0.147 1
1 732 . 22 1 1 X 65 65 ALA C C 58 180.248 179.480 0.768 1
1 733 . 22 1 1 X 65 65 ALA CA C 58 55.104 54.998 0.106 1
1 734 . 22 1 1 X 65 65 ALA CB C 58 18.071 18.216 -0.145 1
1 735 . 22 1 1 X 65 65 ALA N N 58 120.307 119.576 0.731 1
1 736 . 22 1 1 X 66 66 ALA H H 59 7.893 7.467 0.426 1
1 737 . 22 1 1 X 66 66 ALA HA H 59 4.170 4.043 0.127 1
1 741 . 22 1 1 X 66 66 ALA C C 59 180.838 179.369 1.469 1
1 742 . 22 1 1 X 66 66 ALA CA C 59 54.800 55.090 -0.290 1
1 743 . 22 1 1 X 66 66 ALA CB C 59 18.184 18.054 0.130 1
1 744 . 22 1 1 X 66 66 ALA N N 59 122.126 120.431 1.695 1
1 745 . 22 1 1 X 67 67 ARG H H 60 8.139 8.890 -0.751 1
1 746 . 22 1 1 X 67 67 ARG HA H 60 4.065 4.037 0.028 1
1 753 . 22 1 1 X 67 67 ARG C C 60 178.779 178.364 0.415 1
1 754 . 22 1 1 X 67 67 ARG CA C 60 59.282 59.572 -0.290 1
1 755 . 22 1 1 X 67 67 ARG CB C 60 30.863 29.916 0.947 1
1 758 . 22 1 1 X 67 67 ARG N N 60 118.948 117.660 1.288 1
1 759 . 22 1 1 X 68 68 ALA H H 61 7.891 8.236 -0.345 1
1 760 . 22 1 1 X 68 68 ALA HA H 61 4.141 4.161 -0.020 1
1 764 . 22 1 1 X 68 68 ALA C C 61 179.329 179.501 -0.172 1
1 765 . 22 1 1 X 68 68 ALA CA C 61 54.340 54.904 -0.564 1
1 766 . 22 1 1 X 68 68 ALA CB C 61 18.528 18.518 0.010 1
1 767 . 22 1 1 X 68 68 ALA N N 61 121.473 122.197 -0.724 1
1 768 . 22 1 1 X 69 69 ALA H H 62 7.663 7.987 -0.324 1
1 769 . 22 1 1 X 69 69 ALA HA H 62 4.133 4.082 0.051 1
1 773 . 22 1 1 X 69 69 ALA C C 62 178.591 177.710 0.881 1
1 774 . 22 1 1 X 69 69 ALA CA C 62 53.863 55.081 -1.218 1
1 775 . 22 1 1 X 69 69 ALA CB C 62 18.438 18.888 -0.450 1
1 776 . 22 1 1 X 69 69 ALA N N 62 118.937 119.234 -0.297 1
1 777 . 22 1 1 X 70 70 ALA H H 63 7.488 8.142 -0.654 1
1 778 . 22 1 1 X 70 70 ALA HA H 63 4.280 4.454 -0.174 1
1 782 . 22 1 1 X 70 70 ALA C C 63 177.318 176.370 0.948 1
1 783 . 22 1 1 X 70 70 ALA CA C 63 52.981 50.429 2.552 1
1 784 . 22 1 1 X 70 70 ALA CB C 63 19.324 18.855 0.469 1
1 785 . 22 1 1 X 70 70 ALA N N 63 118.642 118.399 0.243 1
1 786 . 22 1 1 X 71 71 ASN H H 64 7.631 8.614 -0.983 1
1 787 . 22 1 1 X 71 71 ASN HA H 64 5.077 5.298 -0.221 1
1 792 . 22 1 1 X 71 71 ASN CA C 64 50.877 50.627 0.250 1
1 793 . 22 1 1 X 71 71 ASN CB C 64 39.243 39.525 -0.282 1
1 795 . 22 1 1 X 71 71 ASN N N 64 116.008 121.385 -5.377 1
1 797 . 22 1 1 X 72 72 PRO HA H 65 4.468 4.522 -0.054 1
1 804 . 22 1 1 X 72 72 PRO CA C 65 64.454 63.650 0.804 1
1 805 . 22 1 1 X 72 72 PRO CB C 65 32.007 32.169 -0.162 1
1 808 . 22 1 1 X 73 73 GLY H H 66 8.608 8.099 0.509 1
1 809 . 22 1 1 X 73 73 GLY HA2 H 66 3.978 3.953 0.025 1
1 810 . 22 1 1 X 73 73 GLY HA3 H 66 3.978 3.954 0.024 1
1 811 . 22 1 1 X 73 73 GLY C C 66 175.054 174.549 0.505 1
1 812 . 22 1 1 X 73 73 GLY CA C 66 45.521 46.459 -0.938 1
1 813 . 22 1 1 X 73 73 GLY N N 66 109.435 109.281 0.154 1
1 814 . 22 1 1 X 74 74 GLY H H 67 8.085 8.004 0.081 1
1 815 . 22 1 1 X 74 74 GLY HA2 H 67 4.132 4.248 -0.116 1
1 816 . 22 1 1 X 74 74 GLY HA3 H 67 3.896 4.248 -0.352 1
1 817 . 22 1 1 X 74 74 GLY C C 67 174.008 171.873 2.135 1
1 818 . 22 1 1 X 74 74 GLY CA C 67 45.450 44.608 0.842 1
1 819 . 22 1 1 X 74 74 GLY N N 67 108.472 106.432 2.040 1
1 820 . 22 1 1 X 75 75 ASP H H 68 8.307 8.851 -0.544 1
1 821 . 22 1 1 X 75 75 ASP HA H 68 4.646 5.440 -0.794 1
1 824 . 22 1 1 X 75 75 ASP C C 68 176.933 176.118 0.815 1
1 825 . 22 1 1 X 75 75 ASP CA C 68 54.226 52.606 1.620 1
1 826 . 22 1 1 X 75 75 ASP CB C 68 41.486 44.608 -3.122 1
1 827 . 22 1 1 X 75 75 ASP N N 68 119.941 119.706 0.235 1
1 828 . 22 1 1 X 76 76 GLY H H 69 8.502 8.656 -0.154 1
1 829 . 22 1 1 X 76 76 GLY HA2 H 69 3.966 4.078 -0.112 1
1 830 . 22 1 1 X 76 76 GLY HA3 H 69 3.951 4.080 -0.129 1
1 831 . 22 1 1 X 76 76 GLY C C 69 174.771 174.678 0.093 1
1 832 . 22 1 1 X 76 76 GLY CA C 69 45.744 44.954 0.790 1
1 833 . 22 1 1 X 76 76 GLY N N 69 109.061 113.269 -4.208 1
1 834 . 22 1 1 X 77 77 GLY H H 70 8.367 7.995 0.372 1
1 835 . 22 1 1 X 77 77 GLY HA2 H 70 4.092 3.903 0.189 1
1 836 . 22 1 1 X 77 77 GLY HA3 H 70 3.920 3.908 0.012 1
1 837 . 22 1 1 X 77 77 GLY C C 70 174.782 173.830 0.952 1
1 838 . 22 1 1 X 77 77 GLY CA C 70 45.327 46.385 -1.058 1
1 839 . 22 1 1 X 77 77 GLY N N 70 108.393 107.903 0.490 1
1 840 . 22 1 1 X 78 78 GLY H H 71 8.263 8.019 0.244 1
1 841 . 22 1 1 X 78 78 GLY HA2 H 71 4.205 4.146 0.059 1
1 842 . 22 1 1 X 78 78 GLY HA3 H 71 4.092 4.162 -0.070 1
1 843 . 22 1 1 X 78 78 GLY CA C 71 45.581 44.929 0.652 1
1 844 . 22 1 1 X 78 78 GLY N N 71 108.388 111.858 -3.470 1
1 845 . 22 1 1 X 79 79 PRO HA H 72 4.199 4.223 -0.024 1
1 852 . 22 1 1 X 79 79 PRO C C 72 178.000 177.918 0.082 1
1 853 . 22 1 1 X 79 79 PRO CA C 72 65.568 65.078 0.490 1
1 854 . 22 1 1 X 79 79 PRO CB C 72 32.864 31.867 0.997 1
1 857 . 22 1 1 X 80 80 GLU H H 73 9.283 8.578 0.705 1
1 858 . 22 1 1 X 80 80 GLU HA H 73 3.833 4.196 -0.363 1
1 863 . 22 1 1 X 80 80 GLU C C 73 179.587 177.893 1.694 1
1 864 . 22 1 1 X 80 80 GLU CA C 73 61.125 58.430 2.695 1
1 865 . 22 1 1 X 80 80 GLU CB C 73 28.576 29.235 -0.659 1
1 867 . 22 1 1 X 80 80 GLU N N 73 117.078 117.127 -0.049 1
1 868 . 22 1 1 X 81 81 GLY H H 74 7.926 7.717 0.209 1
1 869 . 22 1 1 X 81 81 GLY HA2 H 74 3.964 4.029 -0.065 1
1 870 . 22 1 1 X 81 81 GLY HA3 H 74 3.914 4.043 -0.129 1
1 871 . 22 1 1 X 81 81 GLY C C 74 176.538 176.331 0.207 1
1 872 . 22 1 1 X 81 81 GLY CA C 74 47.084 45.787 1.297 1
1 873 . 22 1 1 X 81 81 GLY N N 74 108.577 108.207 0.370 1
1 874 . 22 1 1 X 82 82 ILE H H 75 7.593 8.383 -0.790 1
1 875 . 22 1 1 X 82 82 ILE HA H 75 3.873 3.866 0.007 1
1 885 . 22 1 1 X 82 82 ILE C C 75 178.147 178.158 -0.011 1
1 886 . 22 1 1 X 82 82 ILE CA C 75 65.342 64.880 0.462 1
1 887 . 22 1 1 X 82 82 ILE CB C 75 38.163 37.294 0.869 1
1 891 . 22 1 1 X 82 82 ILE N N 75 123.572 119.827 3.745 1
1 892 . 22 1 1 X 83 83 VAL H H 76 8.135 7.818 0.317 1
1 893 . 22 1 1 X 83 83 VAL HA H 76 3.575 4.158 -0.583 1
1 901 . 22 1 1 X 83 83 VAL C C 76 177.094 178.247 -1.153 1
1 902 . 22 1 1 X 83 83 VAL CA C 76 68.153 65.774 2.379 1
1 903 . 22 1 1 X 83 83 VAL CB C 76 31.653 31.415 0.238 1
1 906 . 22 1 1 X 83 83 VAL N N 76 118.553 121.188 -2.635 1
1 907 . 22 1 1 X 84 84 LYS H H 77 7.803 8.211 -0.408 1
1 908 . 22 1 1 X 84 84 LYS HA H 77 4.006 4.105 -0.099 1
1 917 . 22 1 1 X 84 84 LYS C C 77 178.064 179.089 -1.025 1
1 918 . 22 1 1 X 84 84 LYS CA C 77 60.516 59.538 0.978 1
1 919 . 22 1 1 X 84 84 LYS CB C 77 32.849 32.441 0.408 1
1 923 . 22 1 1 X 84 84 LYS N N 77 119.572 121.408 -1.836 1
1 924 . 22 1 1 X 85 85 GLU H H 78 7.629 8.108 -0.479 1
1 925 . 22 1 1 X 85 85 GLU HA H 78 4.246 4.221 0.025 1
1 930 . 22 1 1 X 85 85 GLU C C 78 179.834 179.424 0.410 1
1 931 . 22 1 1 X 85 85 GLU CA C 78 59.752 58.953 0.799 1
1 932 . 22 1 1 X 85 85 GLU CB C 78 29.189 29.395 -0.206 1
1 934 . 22 1 1 X 85 85 GLU N N 78 118.366 118.469 -0.103 1
1 935 . 22 1 1 X 86 86 ILE H H 79 8.432 8.328 0.104 1
1 936 . 22 1 1 X 86 86 ILE HA H 79 3.781 3.745 0.036 1
1 946 . 22 1 1 X 86 86 ILE C C 79 177.578 178.240 -0.662 1
1 947 . 22 1 1 X 86 86 ILE CA C 79 65.454 64.927 0.527 1
1 948 . 22 1 1 X 86 86 ILE CB C 79 37.940 37.941 -0.001 1
1 952 . 22 1 1 X 86 86 ILE N N 79 118.975 120.828 -1.853 1
1 953 . 22 1 1 X 87 87 LYS H H 80 9.096 8.715 0.381 1
1 954 . 22 1 1 X 87 87 LYS HA H 80 3.958 3.991 -0.033 1
1 963 . 22 1 1 X 87 87 LYS C C 80 180.285 178.478 1.807 1
1 964 . 22 1 1 X 87 87 LYS CA C 80 60.290 59.128 1.162 1
1 965 . 22 1 1 X 87 87 LYS CB C 80 33.299 32.117 1.182 1
1 969 . 22 1 1 X 87 87 LYS N N 80 119.805 120.545 -0.740 1
1 970 . 22 1 1 X 88 88 GLU H H 81 8.508 7.926 0.582 1
1 971 . 22 1 1 X 88 88 GLU HA H 81 4.099 4.136 -0.037 1
1 976 . 22 1 1 X 88 88 GLU C C 81 179.195 179.039 0.156 1
1 977 . 22 1 1 X 88 88 GLU CA C 81 59.632 59.140 0.492 1
1 978 . 22 1 1 X 88 88 GLU CB C 81 29.649 29.518 0.131 1
1 980 . 22 1 1 X 88 88 GLU N N 81 118.920 119.344 -0.424 1
1 981 . 22 1 1 X 89 89 TRP H H 82 8.682 7.962 0.720 1
1 982 . 22 1 1 X 89 89 TRP HA H 82 4.201 4.317 -0.116 1
1 991 . 22 1 1 X 89 89 TRP C C 82 179.807 178.096 1.711 1
1 992 . 22 1 1 X 89 89 TRP CA C 82 63.110 60.729 2.381 1
1 993 . 22 1 1 X 89 89 TRP CB C 82 29.285 29.754 -0.469 1
1 999 . 22 1 1 X 89 89 TRP N N 82 122.152 123.176 -1.024 1
1 1001 . 22 1 1 X 90 90 ARG H H 83 9.025 8.772 0.253 1
1 1002 . 22 1 1 X 90 90 ARG HA H 83 3.295 3.925 -0.630 1
1 1009 . 22 1 1 X 90 90 ARG C C 83 178.120 178.011 0.109 1
1 1010 . 22 1 1 X 90 90 ARG CA C 83 60.895 59.700 1.195 1
1 1011 . 22 1 1 X 90 90 ARG CB C 83 28.668 29.776 -1.108 1
1 1014 . 22 1 1 X 90 90 ARG N N 83 118.380 119.344 -0.964 1
1 1015 . 22 1 1 X 91 91 ALA H H 84 7.759 8.171 -0.412 1
1 1016 . 22 1 1 X 91 91 ALA HA H 84 4.151 4.102 0.049 1
1 1020 . 22 1 1 X 91 91 ALA C C 84 181.466 179.847 1.619 1
1 1021 . 22 1 1 X 91 91 ALA CA C 84 55.217 54.872 0.345 1
1 1022 . 22 1 1 X 91 91 ALA CB C 84 18.175 18.116 0.059 1
1 1023 . 22 1 1 X 91 91 ALA N N 84 120.210 120.438 -0.228 1
1 1024 . 22 1 1 X 92 92 ALA H H 85 7.943 7.993 -0.050 1
1 1025 . 22 1 1 X 92 92 ALA HA H 85 4.081 3.921 0.160 1
1 1029 . 22 1 1 X 92 92 ALA C C 85 178.324 179.436 -1.112 1
1 1030 . 22 1 1 X 92 92 ALA CA C 85 54.244 55.190 -0.946 1
1 1031 . 22 1 1 X 92 92 ALA CB C 85 18.306 18.292 0.014 1
1 1032 . 22 1 1 X 92 92 ALA N N 85 120.470 120.169 0.301 1
1 1033 . 22 1 1 X 93 93 ASN H H 86 7.005 7.837 -0.832 1
1 1034 . 22 1 1 X 93 93 ASN HA H 86 4.475 4.441 0.034 1
1 1039 . 22 1 1 X 93 93 ASN C C 86 174.108 175.376 -1.268 1
1 1040 . 22 1 1 X 93 93 ASN CA C 86 53.347 53.302 0.045 1
1 1041 . 22 1 1 X 93 93 ASN CB C 86 39.379 38.438 0.941 1
1 1043 . 22 1 1 X 93 93 ASN N N 86 113.372 113.705 -0.333 1
1 1045 . 22 1 1 X 94 94 GLY H H 87 7.535 8.143 -0.608 1
1 1046 . 22 1 1 X 94 94 GLY HA2 H 87 3.810 3.861 -0.051 1
1 1047 . 22 1 1 X 94 94 GLY HA3 H 87 3.810 3.867 -0.057 1
1 1048 . 22 1 1 X 94 94 GLY C C 87 174.481 174.231 0.250 1
1 1049 . 22 1 1 X 94 94 GLY CA C 87 47.230 46.289 0.941 1
1 1050 . 22 1 1 X 94 94 GLY N N 87 108.152 107.136 1.016 1
1 1051 . 22 1 1 X 95 95 LYS H H 88 8.037 8.129 -0.092 1
1 1052 . 22 1 1 X 95 95 LYS HA H 88 4.654 4.717 -0.063 1
1 1061 . 22 1 1 X 95 95 LYS CA C 88 53.357 52.963 0.394 1
1 1062 . 22 1 1 X 95 95 LYS CB C 88 32.741 33.484 -0.743 1
1 1066 . 22 1 1 X 95 95 LYS N N 88 119.147 119.357 -0.210 1
1 1067 . 22 1 1 X 96 96 PRO HA H 89 4.275 4.500 -0.225 1
1 1074 . 22 1 1 X 96 96 PRO C C 89 176.696 176.465 0.231 1
1 1075 . 22 1 1 X 96 96 PRO CA C 89 63.482 62.974 0.508 1
1 1076 . 22 1 1 X 96 96 PRO CB C 89 32.981 32.192 0.789 1
1 1079 . 22 1 1 X 97 97 GLY H H 90 8.336 8.311 0.025 1
1 1080 . 22 1 1 X 97 97 GLY HA2 H 90 4.074 3.758 0.316 1
1 1081 . 22 1 1 X 97 97 GLY HA3 H 90 3.615 3.779 -0.164 1
1 1082 . 22 1 1 X 97 97 GLY C C 90 173.388 173.269 0.119 1
1 1083 . 22 1 1 X 97 97 GLY CA C 90 43.347 44.159 -0.812 1
1 1084 . 22 1 1 X 97 97 GLY N N 90 110.343 107.850 2.493 1
1 1085 . 22 1 1 X 98 98 PHE H H 91 7.749 8.051 -0.302 1
1 1086 . 22 1 1 X 98 98 PHE HA H 91 4.527 4.793 -0.266 1
1 1094 . 22 1 1 X 98 98 PHE C C 91 177.021 175.631 1.390 1
1 1095 . 22 1 1 X 98 98 PHE CA C 91 59.184 58.228 0.956 1
1 1096 . 22 1 1 X 98 98 PHE CB C 91 40.005 39.587 0.418 1
1 1102 . 22 1 1 X 98 98 PHE N N 91 116.151 121.015 -4.864 1
1 1103 . 22 1 1 X 99 99 LYS H H 92 8.531 9.117 -0.586 1
1 1104 . 22 1 1 X 99 99 LYS HA H 92 4.178 4.659 -0.481 1
1 1113 . 22 1 1 X 99 99 LYS C C 92 176.542 176.189 0.353 1
1 1114 . 22 1 1 X 99 99 LYS CA C 92 57.292 55.445 1.847 1
1 1115 . 22 1 1 X 99 99 LYS CB C 92 32.875 33.985 -1.110 1
1 1119 . 22 1 1 X 99 99 LYS N N 92 123.602 119.726 3.876 1
1 1120 . 22 1 1 X 100 100 GLN H H 93 8.633 8.444 0.189 1
1 1121 . 22 1 1 X 100 100 GLN HA H 93 4.297 5.090 -0.793 1
1 1128 . 22 1 1 X 100 100 GLN C C 93 175.318 175.464 -0.146 1
1 1129 . 22 1 1 X 100 100 GLN CA C 93 56.479 54.358 2.121 1
1 1130 . 22 1 1 X 100 100 GLN CB C 93 29.751 31.082 -1.331 1
1 1133 . 22 1 1 X 100 100 GLN N N 93 125.089 120.091 4.998 1
1 12 . 23 1 1 X 10 10 LEU H H 3 8.121 8.626 -0.505 1
1 13 . 23 1 1 X 10 10 LEU HA H 3 4.240 5.405 -1.165 1
1 23 . 23 1 1 X 10 10 LEU C C 3 176.909 176.149 0.760 1
1 24 . 23 1 1 X 10 10 LEU CA C 3 54.748 53.698 1.050 1
1 25 . 23 1 1 X 10 10 LEU CB C 3 41.272 42.883 -1.611 1
1 29 . 23 1 1 X 10 10 LEU N N 3 123.688 123.680 0.008 1
1 30 . 23 1 1 X 11 11 LYS H H 4 7.677 8.897 -1.220 1
1 31 . 23 1 1 X 11 11 LYS HA H 4 4.404 4.589 -0.185 1
1 40 . 23 1 1 X 11 11 LYS C C 4 176.184 177.396 -1.212 1
1 41 . 23 1 1 X 11 11 LYS CA C 4 55.828 54.522 1.306 1
1 42 . 23 1 1 X 11 11 LYS CB C 4 33.482 34.536 -1.054 1
1 46 . 23 1 1 X 11 11 LYS N N 4 122.221 123.262 -1.041 1
1 47 . 23 1 1 X 12 12 ASN H H 5 8.538 8.959 -0.421 1
1 48 . 23 1 1 X 12 12 ASN HA H 5 4.685 4.886 -0.201 1
1 53 . 23 1 1 X 12 12 ASN C C 5 174.925 175.353 -0.428 1
1 54 . 23 1 1 X 12 12 ASN CA C 5 55.721 54.631 1.090 1
1 55 . 23 1 1 X 12 12 ASN CB C 5 40.409 40.760 -0.351 1
1 57 . 23 1 1 X 12 12 ASN N N 5 116.610 118.465 -1.855 1
1 59 . 23 1 1 X 13 13 SER H H 6 8.144 7.717 0.427 1
1 60 . 23 1 1 X 13 13 SER HA H 6 4.819 4.785 0.034 1
1 63 . 23 1 1 X 13 13 SER C C 6 175.123 174.854 0.269 1
1 64 . 23 1 1 X 13 13 SER CA C 6 56.778 55.986 0.792 1
1 65 . 23 1 1 X 13 13 SER CB C 6 65.949 66.638 -0.689 1
1 66 . 23 1 1 X 13 13 SER N N 6 112.138 110.086 2.052 1
1 67 . 23 1 1 X 14 14 ILE H H 7 9.318 8.822 0.496 1
1 68 . 23 1 1 X 14 14 ILE HA H 7 3.966 4.221 -0.255 1
1 78 . 23 1 1 X 14 14 ILE C C 7 175.537 178.085 -2.548 1
1 79 . 23 1 1 X 14 14 ILE CA C 7 64.956 63.909 1.047 1
1 80 . 23 1 1 X 14 14 ILE CB C 7 37.062 37.988 -0.926 1
1 84 . 23 1 1 X 14 14 ILE N N 7 126.034 125.338 0.696 1
1 85 . 23 1 1 X 15 15 SER H H 8 7.504 8.092 -0.588 1
1 86 . 23 1 1 X 15 15 SER HA H 8 4.694 4.804 -0.110 1
1 89 . 23 1 1 X 15 15 SER C C 8 174.278 174.649 -0.371 1
1 90 . 23 1 1 X 15 15 SER CA C 8 59.481 59.291 0.190 1
1 91 . 23 1 1 X 15 15 SER CB C 8 63.241 63.731 -0.490 1
1 92 . 23 1 1 X 15 15 SER N N 8 112.517 117.143 -4.626 1
1 93 . 23 1 1 X 16 16 ASP H H 9 7.783 7.847 -0.064 1
1 94 . 23 1 1 X 16 16 ASP HA H 9 4.791 4.752 0.039 1
1 97 . 23 1 1 X 16 16 ASP C C 9 175.976 175.852 0.124 1
1 98 . 23 1 1 X 16 16 ASP CA C 9 55.243 53.459 1.784 1
1 99 . 23 1 1 X 16 16 ASP CB C 9 43.327 41.056 2.271 1
1 100 . 23 1 1 X 16 16 ASP N N 9 117.795 120.039 -2.244 1
1 101 . 23 1 1 X 17 17 TYR H H 10 8.279 7.633 0.646 1
1 102 . 23 1 1 X 17 17 TYR HA H 10 4.962 5.104 -0.142 1
1 109 . 23 1 1 X 17 17 TYR C C 10 177.535 176.281 1.254 1
1 110 . 23 1 1 X 17 17 TYR CA C 10 58.573 57.280 1.293 1
1 111 . 23 1 1 X 17 17 TYR CB C 10 41.015 40.239 0.776 1
1 116 . 23 1 1 X 17 17 TYR N N 10 120.484 119.267 1.217 1
1 117 . 23 1 1 X 18 18 THR H H 11 8.796 8.930 -0.134 1
1 118 . 23 1 1 X 18 18 THR HA H 11 5.040 5.181 -0.141 1
1 123 . 23 1 1 X 18 18 THR C C 11 176.099 176.091 0.008 1
1 124 . 23 1 1 X 18 18 THR CA C 11 60.775 60.708 0.067 1
1 125 . 23 1 1 X 18 18 THR CB C 11 71.041 71.087 -0.046 1
1 127 . 23 1 1 X 18 18 THR N N 11 112.143 116.827 -4.684 1
1 128 . 23 1 1 X 19 19 GLU H H 12 9.173 9.063 0.110 1
1 129 . 23 1 1 X 19 19 GLU HA H 12 2.757 3.684 -0.927 1
1 134 . 23 1 1 X 19 19 GLU C C 12 178.378 178.460 -0.082 1
1 135 . 23 1 1 X 19 19 GLU CA C 12 60.906 59.145 1.761 1
1 136 . 23 1 1 X 19 19 GLU CB C 12 29.442 29.028 0.414 1
1 138 . 23 1 1 X 19 19 GLU N N 12 122.386 120.773 1.613 1
1 139 . 23 1 1 X 20 20 ALA H H 13 8.356 8.250 0.106 1
1 140 . 23 1 1 X 20 20 ALA HA H 13 4.069 4.175 -0.106 1
1 144 . 23 1 1 X 20 20 ALA C C 13 181.816 179.548 2.268 1
1 145 . 23 1 1 X 20 20 ALA CA C 13 55.388 54.958 0.430 1
1 146 . 23 1 1 X 20 20 ALA CB C 13 18.308 18.471 -0.163 1
1 147 . 23 1 1 X 20 20 ALA N N 13 118.695 122.151 -3.456 1
1 148 . 23 1 1 X 21 21 GLU H H 14 8.013 8.227 -0.214 1
1 149 . 23 1 1 X 21 21 GLU HA H 14 4.131 4.141 -0.010 1
1 154 . 23 1 1 X 21 21 GLU C C 14 179.649 179.388 0.261 1
1 155 . 23 1 1 X 21 21 GLU CA C 14 58.916 59.050 -0.134 1
1 156 . 23 1 1 X 21 21 GLU CB C 14 31.632 29.609 2.023 1
1 158 . 23 1 1 X 21 21 GLU N N 14 118.978 119.419 -0.441 1
1 159 . 23 1 1 X 22 22 PHE H H 15 8.635 8.434 0.201 1
1 160 . 23 1 1 X 22 22 PHE HA H 15 4.049 4.108 -0.059 1
1 167 . 23 1 1 X 22 22 PHE C C 15 177.402 177.650 -0.248 1
1 168 . 23 1 1 X 22 22 PHE CA C 15 62.183 61.080 1.103 1
1 169 . 23 1 1 X 22 22 PHE CB C 15 40.545 38.904 1.641 1
1 174 . 23 1 1 X 22 22 PHE N N 15 124.639 122.256 2.383 1
1 175 . 23 1 1 X 23 23 VAL H H 16 8.647 8.449 0.198 1
1 176 . 23 1 1 X 23 23 VAL HA H 16 3.416 3.754 -0.338 1
1 184 . 23 1 1 X 23 23 VAL C C 16 177.798 177.686 0.112 1
1 185 . 23 1 1 X 23 23 VAL CA C 16 67.917 66.717 1.200 1
1 186 . 23 1 1 X 23 23 VAL CB C 16 31.579 30.887 0.692 1
1 189 . 23 1 1 X 23 23 VAL N N 16 119.817 118.558 1.259 1
1 190 . 23 1 1 X 24 24 GLN H H 17 7.569 8.370 -0.801 1
1 191 . 23 1 1 X 24 24 GLN HA H 17 3.943 3.979 -0.036 1
1 198 . 23 1 1 X 24 24 GLN C C 17 178.313 178.204 0.109 1
1 199 . 23 1 1 X 24 24 GLN CA C 17 59.289 59.070 0.219 1
1 200 . 23 1 1 X 24 24 GLN CB C 17 27.814 28.142 -0.328 1
1 203 . 23 1 1 X 24 24 GLN N N 17 117.658 121.245 -3.587 1
1 205 . 23 1 1 X 25 25 LEU H H 18 7.512 7.660 -0.148 1
1 206 . 23 1 1 X 25 25 LEU HA H 18 4.136 3.983 0.153 1
1 216 . 23 1 1 X 25 25 LEU C C 18 178.440 178.088 0.352 1
1 217 . 23 1 1 X 25 25 LEU CA C 18 58.651 58.087 0.564 1
1 218 . 23 1 1 X 25 25 LEU CB C 18 40.626 41.200 -0.574 1
1 222 . 23 1 1 X 25 25 LEU N N 18 122.037 121.036 1.001 1
1 223 . 23 1 1 X 26 26 LEU H H 19 7.761 8.291 -0.530 1
1 224 . 23 1 1 X 26 26 LEU HA H 19 3.748 3.596 0.152 1
1 234 . 23 1 1 X 26 26 LEU C C 19 180.080 179.186 0.894 1
1 235 . 23 1 1 X 26 26 LEU CA C 19 58.041 57.502 0.539 1
1 236 . 23 1 1 X 26 26 LEU CB C 19 41.009 41.240 -0.231 1
1 240 . 23 1 1 X 26 26 LEU N N 19 118.502 118.078 0.424 1
1 241 . 23 1 1 X 27 27 LYS H H 20 8.357 8.474 -0.117 1
1 242 . 23 1 1 X 27 27 LYS HA H 20 4.019 3.982 0.037 1
1 251 . 23 1 1 X 27 27 LYS C C 20 179.559 179.608 -0.049 1
1 252 . 23 1 1 X 27 27 LYS CA C 20 59.648 59.850 -0.202 1
1 253 . 23 1 1 X 27 27 LYS CB C 20 31.995 32.090 -0.095 1
1 257 . 23 1 1 X 27 27 LYS N N 20 120.427 118.459 1.968 1
1 258 . 23 1 1 X 28 28 GLU H H 21 8.123 7.842 0.281 1
1 259 . 23 1 1 X 28 28 GLU HA H 21 4.082 4.036 0.046 1
1 264 . 23 1 1 X 28 28 GLU C C 21 179.063 179.246 -0.183 1
1 265 . 23 1 1 X 28 28 GLU CA C 21 59.406 59.160 0.246 1
1 266 . 23 1 1 X 28 28 GLU CB C 21 29.146 29.123 0.023 1
1 268 . 23 1 1 X 28 28 GLU N N 21 122.374 120.052 2.322 1
1 269 . 23 1 1 X 29 29 ILE H H 22 8.049 8.423 -0.374 1
1 270 . 23 1 1 X 29 29 ILE HA H 22 3.343 3.551 -0.208 1
1 280 . 23 1 1 X 29 29 ILE C C 22 177.151 177.614 -0.463 1
1 281 . 23 1 1 X 29 29 ILE CA C 22 66.435 65.433 1.002 1
1 282 . 23 1 1 X 29 29 ILE CB C 22 37.954 37.420 0.534 1
1 286 . 23 1 1 X 29 29 ILE N N 22 120.195 121.170 -0.975 1
1 287 . 23 1 1 X 30 30 GLU H H 23 7.820 8.123 -0.303 1
1 288 . 23 1 1 X 30 30 GLU HA H 23 3.983 3.801 0.182 1
1 293 . 23 1 1 X 30 30 GLU C C 23 178.990 178.917 0.073 1
1 294 . 23 1 1 X 30 30 GLU CA C 23 59.460 59.947 -0.487 1
1 295 . 23 1 1 X 30 30 GLU CB C 23 30.012 29.250 0.762 1
1 297 . 23 1 1 X 30 30 GLU N N 23 118.917 120.743 -1.826 1
1 298 . 23 1 1 X 31 31 LYS H H 24 7.678 8.264 -0.586 1
1 299 . 23 1 1 X 31 31 LYS HA H 24 4.059 3.948 0.111 1
1 308 . 23 1 1 X 31 31 LYS C C 24 179.231 179.083 0.148 1
1 309 . 23 1 1 X 31 31 LYS CA C 24 59.152 59.782 -0.630 1
1 310 . 23 1 1 X 31 31 LYS CB C 24 32.712 32.516 0.196 1
1 314 . 23 1 1 X 31 31 LYS N N 24 118.807 119.711 -0.904 1
1 315 . 23 1 1 X 32 32 GLU H H 25 8.182 8.147 0.035 1
1 316 . 23 1 1 X 32 32 GLU HA H 25 4.309 4.102 0.207 1
1 321 . 23 1 1 X 32 32 GLU C C 25 177.897 179.076 -1.179 1
1 322 . 23 1 1 X 32 32 GLU CA C 25 57.449 59.277 -1.828 1
1 323 . 23 1 1 X 32 32 GLU CB C 25 29.522 28.674 0.848 1
1 325 . 23 1 1 X 32 32 GLU N N 25 118.578 119.154 -0.576 1
1 326 . 23 1 1 X 33 33 ASN H H 26 8.343 8.060 0.283 1
1 327 . 23 1 1 X 33 33 ASN HA H 26 4.608 4.413 0.195 1
1 330 . 23 1 1 X 33 33 ASN C C 26 176.524 177.366 -0.842 1
1 331 . 23 1 1 X 33 33 ASN CA C 26 55.463 55.782 -0.319 1
1 332 . 23 1 1 X 33 33 ASN CB C 26 39.074 38.501 0.573 1
1 333 . 23 1 1 X 33 33 ASN N N 26 118.483 118.438 0.045 1
1 334 . 23 1 1 X 34 34 VAL H H 27 7.434 8.272 -0.838 1
1 335 . 23 1 1 X 34 34 VAL HA H 27 4.182 3.965 0.217 1
1 343 . 23 1 1 X 34 34 VAL C C 27 176.315 176.596 -0.281 1
1 344 . 23 1 1 X 34 34 VAL CA C 27 62.829 63.970 -1.141 1
1 345 . 23 1 1 X 34 34 VAL CB C 27 32.178 31.091 1.087 1
1 348 . 23 1 1 X 34 34 VAL N N 27 114.036 116.726 -2.690 1
1 349 . 23 1 1 X 35 35 ALA H H 28 7.648 7.692 -0.044 1
1 350 . 23 1 1 X 35 35 ALA HA H 28 4.346 4.342 0.004 1
1 354 . 23 1 1 X 35 35 ALA C C 28 177.126 176.819 0.307 1
1 355 . 23 1 1 X 35 35 ALA CA C 28 52.712 51.898 0.814 1
1 356 . 23 1 1 X 35 35 ALA CB C 28 19.915 19.543 0.372 1
1 357 . 23 1 1 X 35 35 ALA N N 28 124.066 123.702 0.364 1
1 358 . 23 1 1 X 36 36 ALA H H 29 8.337 7.881 0.456 1
1 359 . 23 1 1 X 36 36 ALA HA H 29 4.260 3.914 0.346 1
1 363 . 23 1 1 X 36 36 ALA C C 29 177.999 176.066 1.933 1
1 364 . 23 1 1 X 36 36 ALA CA C 29 53.660 52.856 0.804 1
1 365 . 23 1 1 X 36 36 ALA CB C 29 19.175 17.406 1.769 1
1 366 . 23 1 1 X 36 36 ALA N N 29 121.695 120.117 1.578 1
1 367 . 23 1 1 X 37 37 THR H H 30 8.093 7.943 0.150 1
1 368 . 23 1 1 X 37 37 THR HA H 30 4.533 4.756 -0.223 1
1 373 . 23 1 1 X 37 37 THR C C 30 174.715 173.906 0.809 1
1 374 . 23 1 1 X 37 37 THR CA C 30 60.860 60.360 0.500 1
1 375 . 23 1 1 X 37 37 THR CB C 30 70.424 70.303 0.121 1
1 377 . 23 1 1 X 37 37 THR N N 30 110.112 107.535 2.577 1
1 378 . 23 1 1 X 38 38 ASP H H 31 8.488 8.411 0.077 1
1 379 . 23 1 1 X 38 38 ASP HA H 31 4.685 4.762 -0.077 1
1 382 . 23 1 1 X 38 38 ASP C C 31 175.896 177.286 -1.390 1
1 383 . 23 1 1 X 38 38 ASP CA C 31 54.704 54.719 -0.015 1
1 384 . 23 1 1 X 38 38 ASP CB C 31 41.389 42.627 -1.238 1
1 385 . 23 1 1 X 38 38 ASP N N 31 121.899 120.250 1.649 1
1 386 . 23 1 1 X 39 39 ASP H H 32 8.368 8.135 0.233 1
1 387 . 23 1 1 X 39 39 ASP HA H 32 4.459 4.404 0.055 1
1 390 . 23 1 1 X 39 39 ASP C C 32 177.499 178.284 -0.785 1
1 391 . 23 1 1 X 39 39 ASP CA C 32 56.443 57.520 -1.077 1
1 392 . 23 1 1 X 39 39 ASP CB C 32 40.737 41.507 -0.770 1
1 393 . 23 1 1 X 39 39 ASP N N 32 118.770 120.119 -1.349 1
1 394 . 23 1 1 X 40 40 VAL H H 33 7.963 7.846 0.117 1
1 395 . 23 1 1 X 40 40 VAL HA H 33 3.800 3.760 0.040 1
1 403 . 23 1 1 X 40 40 VAL C C 33 177.362 177.615 -0.253 1
1 404 . 23 1 1 X 40 40 VAL CA C 33 64.970 66.326 -1.356 1
1 405 . 23 1 1 X 40 40 VAL CB C 33 32.256 30.867 1.389 1
1 408 . 23 1 1 X 40 40 VAL N N 33 119.409 118.951 0.458 1
1 409 . 23 1 1 X 41 41 LEU H H 34 8.508 8.036 0.472 1
1 410 . 23 1 1 X 41 41 LEU HA H 34 3.857 3.896 -0.039 1
1 420 . 23 1 1 X 41 41 LEU C C 34 177.633 178.256 -0.623 1
1 421 . 23 1 1 X 41 41 LEU CA C 34 58.428 58.474 -0.046 1
1 422 . 23 1 1 X 41 41 LEU CB C 34 41.755 41.248 0.507 1
1 426 . 23 1 1 X 41 41 LEU N N 34 122.150 120.921 1.229 1
1 427 . 23 1 1 X 42 42 ASP H H 35 8.236 8.153 0.083 1
1 428 . 23 1 1 X 42 42 ASP HA H 35 4.370 4.508 -0.138 1
1 431 . 23 1 1 X 42 42 ASP C C 35 179.155 178.664 0.491 1
1 432 . 23 1 1 X 42 42 ASP CA C 35 57.925 56.652 1.273 1
1 433 . 23 1 1 X 42 42 ASP CB C 35 40.417 40.744 -0.327 1
1 434 . 23 1 1 X 42 42 ASP N N 35 116.374 118.802 -2.428 1
1 435 . 23 1 1 X 43 43 VAL H H 36 7.320 7.973 -0.653 1
1 436 . 23 1 1 X 43 43 VAL HA H 36 3.782 3.632 0.150 1
1 444 . 23 1 1 X 43 43 VAL C C 36 179.309 178.237 1.072 1
1 445 . 23 1 1 X 43 43 VAL CA C 36 66.080 66.521 -0.441 1
1 446 . 23 1 1 X 43 43 VAL CB C 36 32.245 31.538 0.707 1
1 449 . 23 1 1 X 43 43 VAL N N 36 119.754 121.435 -1.681 1
1 450 . 23 1 1 X 44 44 LEU H H 37 8.122 8.474 -0.352 1
1 451 . 23 1 1 X 44 44 LEU HA H 37 4.008 4.035 -0.027 1
1 461 . 23 1 1 X 44 44 LEU C C 37 179.518 179.365 0.153 1
1 462 . 23 1 1 X 44 44 LEU CA C 37 58.048 57.836 0.212 1
1 463 . 23 1 1 X 44 44 LEU CB C 37 42.374 41.696 0.678 1
1 467 . 23 1 1 X 44 44 LEU N N 37 120.608 118.809 1.799 1
1 468 . 23 1 1 X 45 45 LEU H H 38 8.898 8.350 0.548 1
1 469 . 23 1 1 X 45 45 LEU HA H 38 4.030 3.980 0.050 1
1 479 . 23 1 1 X 45 45 LEU C C 38 179.166 179.495 -0.329 1
1 480 . 23 1 1 X 45 45 LEU CA C 38 58.184 58.159 0.025 1
1 481 . 23 1 1 X 45 45 LEU CB C 38 41.506 41.498 0.008 1
1 485 . 23 1 1 X 45 45 LEU N N 38 119.199 118.739 0.460 1
1 486 . 23 1 1 X 46 46 GLU H H 39 7.964 7.853 0.111 1
1 487 . 23 1 1 X 46 46 GLU HA H 39 4.066 4.021 0.045 1
1 492 . 23 1 1 X 46 46 GLU C C 39 178.995 179.019 -0.024 1
1 493 . 23 1 1 X 46 46 GLU CA C 39 59.769 59.599 0.170 1
1 494 . 23 1 1 X 46 46 GLU CB C 39 29.577 29.596 -0.019 1
1 496 . 23 1 1 X 46 46 GLU N N 39 119.334 118.576 0.758 1
1 497 . 23 1 1 X 47 47 HIS H H 40 8.009 8.706 -0.697 1
1 498 . 23 1 1 X 47 47 HIS HA H 40 4.416 4.377 0.039 1
1 503 . 23 1 1 X 47 47 HIS C C 40 176.115 176.964 -0.849 1
1 504 . 23 1 1 X 47 47 HIS CA C 40 60.151 58.829 1.322 1
1 505 . 23 1 1 X 47 47 HIS CB C 40 30.389 30.418 -0.029 1
1 508 . 23 1 1 X 47 47 HIS N N 40 119.610 119.993 -0.383 1
1 509 . 23 1 1 X 48 48 PHE H H 41 8.711 8.549 0.162 1
1 510 . 23 1 1 X 48 48 PHE HA H 41 3.808 4.106 -0.298 1
1 518 . 23 1 1 X 48 48 PHE C C 41 178.023 177.287 0.736 1
1 519 . 23 1 1 X 48 48 PHE CA C 41 62.654 61.361 1.293 1
1 520 . 23 1 1 X 48 48 PHE CB C 41 39.408 39.232 0.176 1
1 526 . 23 1 1 X 48 48 PHE N N 41 118.110 120.212 -2.102 1
1 527 . 23 1 1 X 49 49 VAL H H 42 8.439 7.936 0.503 1
1 528 . 23 1 1 X 49 49 VAL HA H 42 3.359 3.761 -0.402 1
1 536 . 23 1 1 X 49 49 VAL C C 42 178.340 177.513 0.827 1
1 537 . 23 1 1 X 49 49 VAL CA C 42 67.276 64.377 2.899 1
1 538 . 23 1 1 X 49 49 VAL CB C 42 32.235 31.371 0.864 1
1 541 . 23 1 1 X 49 49 VAL N N 42 121.301 118.507 2.794 1
1 542 . 23 1 1 X 50 50 LYS H H 43 8.091 8.661 -0.570 1
1 543 . 23 1 1 X 50 50 LYS HA H 43 3.973 3.993 -0.020 1
1 552 . 23 1 1 X 50 50 LYS C C 43 178.985 178.163 0.822 1
1 553 . 23 1 1 X 50 50 LYS CA C 43 59.580 58.920 0.660 1
1 554 . 23 1 1 X 50 50 LYS CB C 43 32.784 31.740 1.044 1
1 558 . 23 1 1 X 50 50 LYS N N 43 120.887 119.787 1.100 1
1 559 . 23 1 1 X 51 51 ILE H H 44 8.347 7.220 1.127 1
1 560 . 23 1 1 X 51 51 ILE HA H 44 4.159 3.897 0.262 1
1 570 . 23 1 1 X 51 51 ILE C C 44 178.121 177.924 0.197 1
1 571 . 23 1 1 X 51 51 ILE CA C 44 62.328 64.114 -1.786 1
1 572 . 23 1 1 X 51 51 ILE CB C 44 37.576 37.555 0.021 1
1 576 . 23 1 1 X 51 51 ILE N N 44 111.354 117.063 -5.709 1
1 577 . 23 1 1 X 52 52 THR H H 45 7.588 7.524 0.064 1
1 578 . 23 1 1 X 52 52 THR HA H 45 3.683 4.065 -0.382 1
1 583 . 23 1 1 X 52 52 THR C C 45 176.285 175.004 1.281 1
1 584 . 23 1 1 X 52 52 THR CA C 45 65.803 63.117 2.686 1
1 585 . 23 1 1 X 52 52 THR CB C 45 69.689 69.809 -0.120 1
1 587 . 23 1 1 X 52 52 THR N N 45 109.646 112.798 -3.152 1
1 588 . 23 1 1 X 53 53 GLU H H 46 7.366 8.074 -0.708 1
1 589 . 23 1 1 X 53 53 GLU HA H 46 3.836 3.951 -0.115 1
1 594 . 23 1 1 X 53 53 GLU C C 46 173.418 174.576 -1.158 1
1 595 . 23 1 1 X 53 53 GLU CA C 46 57.709 57.464 0.245 1
1 596 . 23 1 1 X 53 53 GLU CB C 46 29.067 27.378 1.689 1
1 598 . 23 1 1 X 53 53 GLU N N 46 112.606 115.230 -2.624 1
1 599 . 23 1 1 X 54 54 HIS H H 47 7.127 7.139 -0.012 1
1 600 . 23 1 1 X 54 54 HIS HA H 47 3.070 3.606 -0.536 1
1 605 . 23 1 1 X 54 54 HIS CA C 47 55.826 54.685 1.141 1
1 606 . 23 1 1 X 54 54 HIS CB C 47 32.124 30.827 1.297 1
1 609 . 23 1 1 X 54 54 HIS N N 47 119.651 119.498 0.153 1
1 610 . 23 1 1 X 55 55 PRO HA H 48 4.143 4.400 -0.257 1
1 617 . 23 1 1 X 55 55 PRO CA C 48 64.843 64.269 0.574 1
1 618 . 23 1 1 X 55 55 PRO CB C 48 32.350 31.578 0.772 1
1 621 . 23 1 1 X 56 56 ASP H H 49 10.605 7.615 2.990 1
1 622 . 23 1 1 X 56 56 ASP HA H 49 4.712 5.082 -0.370 1
1 625 . 23 1 1 X 56 56 ASP C C 49 178.187 177.406 0.781 1
1 626 . 23 1 1 X 56 56 ASP CA C 49 54.989 53.784 1.205 1
1 627 . 23 1 1 X 56 56 ASP CB C 49 40.657 42.133 -1.476 1
1 628 . 23 1 1 X 56 56 ASP N N 49 121.022 118.248 2.774 1
1 629 . 23 1 1 X 57 57 GLY H H 50 8.011 8.150 -0.139 1
1 630 . 23 1 1 X 57 57 GLY HA2 H 50 4.122 3.864 0.258 1
1 631 . 23 1 1 X 57 57 GLY HA3 H 50 3.701 3.910 -0.209 1
1 632 . 23 1 1 X 57 57 GLY C C 50 175.337 176.036 -0.699 1
1 633 . 23 1 1 X 57 57 GLY CA C 50 47.435 47.510 -0.075 1
1 634 . 23 1 1 X 57 57 GLY N N 50 108.190 109.347 -1.157 1
1 635 . 23 1 1 X 58 58 THR H H 51 9.047 8.289 0.758 1
1 636 . 23 1 1 X 58 58 THR HA H 51 3.730 4.246 -0.516 1
1 641 . 23 1 1 X 58 58 THR C C 51 176.082 176.735 -0.653 1
1 642 . 23 1 1 X 58 58 THR CA C 51 64.795 65.636 -0.841 1
1 643 . 23 1 1 X 58 58 THR CB C 51 68.398 68.847 -0.449 1
1 645 . 23 1 1 X 58 58 THR N N 51 114.996 117.002 -2.006 1
1 646 . 23 1 1 X 59 59 ALA H H 52 8.142 8.234 -0.092 1
1 647 . 23 1 1 X 59 59 ALA HA H 52 4.205 4.307 -0.102 1
1 651 . 23 1 1 X 59 59 ALA C C 52 179.373 180.412 -1.039 1
1 652 . 23 1 1 X 59 59 ALA CA C 52 55.625 55.089 0.536 1
1 653 . 23 1 1 X 59 59 ALA CB C 52 18.416 18.326 0.090 1
1 654 . 23 1 1 X 59 59 ALA N N 52 125.565 123.895 1.670 1
1 655 . 23 1 1 X 60 60 LEU H H 53 7.399 8.353 -0.954 1
1 656 . 23 1 1 X 60 60 LEU HA H 53 3.835 4.069 -0.234 1
1 666 . 23 1 1 X 60 60 LEU C C 53 178.601 179.424 -0.823 1
1 667 . 23 1 1 X 60 60 LEU CA C 53 58.031 57.867 0.164 1
1 668 . 23 1 1 X 60 60 LEU CB C 53 43.487 41.477 2.010 1
1 672 . 23 1 1 X 60 60 LEU N N 53 114.763 119.072 -4.309 1
1 673 . 23 1 1 X 61 61 ILE H H 54 6.855 7.651 -0.796 1
1 674 . 23 1 1 X 61 61 ILE HA H 54 3.518 3.394 0.124 1
1 684 . 23 1 1 X 61 61 ILE C C 54 178.595 177.630 0.965 1
1 685 . 23 1 1 X 61 61 ILE CA C 54 62.989 64.969 -1.980 1
1 686 . 23 1 1 X 61 61 ILE CB C 54 38.424 37.404 1.020 1
1 690 . 23 1 1 X 61 61 ILE N N 54 114.394 120.420 -6.026 1
1 691 . 23 1 1 X 62 62 TYR H H 55 7.489 7.961 -0.472 1
1 692 . 23 1 1 X 62 62 TYR HA H 55 4.243 4.258 -0.015 1
1 699 . 23 1 1 X 62 62 TYR C C 55 178.634 178.786 -0.152 1
1 700 . 23 1 1 X 62 62 TYR CA C 55 61.518 60.527 0.991 1
1 701 . 23 1 1 X 62 62 TYR CB C 55 37.566 38.152 -0.586 1
1 706 . 23 1 1 X 62 62 TYR N N 55 117.898 119.349 -1.451 1
1 707 . 23 1 1 X 63 63 GLU H H 56 8.659 8.920 -0.261 1
1 708 . 23 1 1 X 63 63 GLU HA H 56 4.441 4.133 0.308 1
1 713 . 23 1 1 X 63 63 GLU C C 56 177.785 178.985 -1.200 1
1 714 . 23 1 1 X 63 63 GLU CA C 56 57.658 59.400 -1.742 1
1 715 . 23 1 1 X 63 63 GLU CB C 56 29.034 29.156 -0.122 1
1 717 . 23 1 1 X 63 63 GLU N N 56 119.392 117.928 1.464 1
1 718 . 23 1 1 X 64 64 ALA H H 57 7.164 8.215 -1.051 1
1 719 . 23 1 1 X 64 64 ALA HA H 57 4.021 4.224 -0.203 1
1 723 . 23 1 1 X 64 64 ALA C C 57 180.327 180.108 0.219 1
1 724 . 23 1 1 X 64 64 ALA CA C 57 55.759 54.949 0.810 1
1 725 . 23 1 1 X 64 64 ALA CB C 57 18.615 18.097 0.518 1
1 726 . 23 1 1 X 64 64 ALA N N 57 121.778 122.053 -0.275 1
1 727 . 23 1 1 X 65 65 ALA H H 58 8.076 8.219 -0.143 1
1 728 . 23 1 1 X 65 65 ALA HA H 58 4.137 3.995 0.142 1
1 732 . 23 1 1 X 65 65 ALA C C 58 180.248 179.576 0.672 1
1 733 . 23 1 1 X 65 65 ALA CA C 58 55.104 55.024 0.080 1
1 734 . 23 1 1 X 65 65 ALA CB C 58 18.071 18.227 -0.156 1
1 735 . 23 1 1 X 65 65 ALA N N 58 120.307 119.677 0.630 1
1 736 . 23 1 1 X 66 66 ALA H H 59 7.893 7.437 0.456 1
1 737 . 23 1 1 X 66 66 ALA HA H 59 4.170 4.078 0.092 1
1 741 . 23 1 1 X 66 66 ALA C C 59 180.838 179.166 1.672 1
1 742 . 23 1 1 X 66 66 ALA CA C 59 54.800 55.050 -0.250 1
1 743 . 23 1 1 X 66 66 ALA CB C 59 18.184 18.250 -0.066 1
1 744 . 23 1 1 X 66 66 ALA N N 59 122.126 120.597 1.529 1
1 745 . 23 1 1 X 67 67 ARG H H 60 8.139 8.691 -0.552 1
1 746 . 23 1 1 X 67 67 ARG HA H 60 4.065 3.946 0.119 1
1 753 . 23 1 1 X 67 67 ARG C C 60 178.779 178.649 0.130 1
1 754 . 23 1 1 X 67 67 ARG CA C 60 59.282 59.665 -0.383 1
1 755 . 23 1 1 X 67 67 ARG CB C 60 30.863 30.156 0.707 1
1 758 . 23 1 1 X 67 67 ARG N N 60 118.948 117.843 1.105 1
1 759 . 23 1 1 X 68 68 ALA H H 61 7.891 8.234 -0.343 1
1 760 . 23 1 1 X 68 68 ALA HA H 61 4.141 4.155 -0.014 1
1 764 . 23 1 1 X 68 68 ALA C C 61 179.329 179.784 -0.455 1
1 765 . 23 1 1 X 68 68 ALA CA C 61 54.340 54.956 -0.616 1
1 766 . 23 1 1 X 68 68 ALA CB C 61 18.528 18.300 0.228 1
1 767 . 23 1 1 X 68 68 ALA N N 61 121.473 122.076 -0.603 1
1 768 . 23 1 1 X 69 69 ALA H H 62 7.663 8.046 -0.383 1
1 769 . 23 1 1 X 69 69 ALA HA H 62 4.133 4.044 0.089 1
1 773 . 23 1 1 X 69 69 ALA C C 62 178.591 179.596 -1.005 1
1 774 . 23 1 1 X 69 69 ALA CA C 62 53.863 54.985 -1.122 1
1 775 . 23 1 1 X 69 69 ALA CB C 62 18.438 18.262 0.176 1
1 776 . 23 1 1 X 69 69 ALA N N 62 118.937 120.460 -1.523 1
1 777 . 23 1 1 X 70 70 ALA H H 63 7.488 7.918 -0.430 1
1 778 . 23 1 1 X 70 70 ALA HA H 63 4.280 4.170 0.110 1
1 782 . 23 1 1 X 70 70 ALA C C 63 177.318 177.706 -0.388 1
1 783 . 23 1 1 X 70 70 ALA CA C 63 52.981 54.605 -1.624 1
1 784 . 23 1 1 X 70 70 ALA CB C 63 19.324 19.440 -0.116 1
1 785 . 23 1 1 X 70 70 ALA N N 63 118.642 117.584 1.058 1
1 786 . 23 1 1 X 71 71 ASN H H 64 7.631 8.463 -0.832 1
1 787 . 23 1 1 X 71 71 ASN HA H 64 5.077 4.372 0.705 1
1 792 . 23 1 1 X 71 71 ASN CA C 64 50.877 53.898 -3.021 1
1 793 . 23 1 1 X 71 71 ASN CB C 64 39.243 36.973 2.270 1
1 795 . 23 1 1 X 71 71 ASN N N 64 116.008 116.150 -0.142 1
1 797 . 23 1 1 X 72 72 PRO HA H 65 4.468 4.611 -0.143 1
1 804 . 23 1 1 X 72 72 PRO CA C 65 64.454 62.448 2.006 1
1 805 . 23 1 1 X 72 72 PRO CB C 65 32.007 32.746 -0.739 1
1 808 . 23 1 1 X 73 73 GLY H H 66 8.608 8.488 0.120 1
1 809 . 23 1 1 X 73 73 GLY HA2 H 66 3.978 3.986 -0.008 1
1 810 . 23 1 1 X 73 73 GLY HA3 H 66 3.978 3.987 -0.009 1
1 811 . 23 1 1 X 73 73 GLY C C 66 175.054 174.385 0.669 1
1 812 . 23 1 1 X 73 73 GLY CA C 66 45.521 46.776 -1.255 1
1 813 . 23 1 1 X 73 73 GLY N N 66 109.435 107.658 1.777 1
1 814 . 23 1 1 X 74 74 GLY H H 67 8.085 8.381 -0.296 1
1 815 . 23 1 1 X 74 74 GLY HA2 H 67 4.132 4.151 -0.019 1
1 816 . 23 1 1 X 74 74 GLY HA3 H 67 3.896 4.153 -0.257 1
1 817 . 23 1 1 X 74 74 GLY C C 67 174.008 173.292 0.716 1
1 818 . 23 1 1 X 74 74 GLY CA C 67 45.450 44.135 1.315 1
1 819 . 23 1 1 X 74 74 GLY N N 67 108.472 112.475 -4.003 1
1 820 . 23 1 1 X 75 75 ASP H H 68 8.307 9.254 -0.947 1
1 821 . 23 1 1 X 75 75 ASP HA H 68 4.646 4.497 0.149 1
1 824 . 23 1 1 X 75 75 ASP C C 68 176.933 175.730 1.203 1
1 825 . 23 1 1 X 75 75 ASP CA C 68 54.226 55.719 -1.493 1
1 826 . 23 1 1 X 75 75 ASP CB C 68 41.486 40.811 0.675 1
1 827 . 23 1 1 X 75 75 ASP N N 68 119.941 121.459 -1.518 1
1 828 . 23 1 1 X 76 76 GLY H H 69 8.502 8.806 -0.304 1
1 829 . 23 1 1 X 76 76 GLY HA2 H 69 3.966 4.027 -0.061 1
1 830 . 23 1 1 X 76 76 GLY HA3 H 69 3.951 4.029 -0.078 1
1 831 . 23 1 1 X 76 76 GLY C C 69 174.771 175.286 -0.515 1
1 832 . 23 1 1 X 76 76 GLY CA C 69 45.744 45.236 0.508 1
1 833 . 23 1 1 X 76 76 GLY N N 69 109.061 107.554 1.507 1
1 834 . 23 1 1 X 77 77 GLY H H 70 8.367 8.718 -0.351 1
1 835 . 23 1 1 X 77 77 GLY HA2 H 70 4.092 3.950 0.142 1
1 836 . 23 1 1 X 77 77 GLY HA3 H 70 3.920 3.954 -0.034 1
1 837 . 23 1 1 X 77 77 GLY C C 70 174.782 174.862 -0.080 1
1 838 . 23 1 1 X 77 77 GLY CA C 70 45.327 45.195 0.132 1
1 839 . 23 1 1 X 77 77 GLY N N 70 108.393 109.903 -1.510 1
1 840 . 23 1 1 X 78 78 GLY H H 71 8.263 8.086 0.177 1
1 841 . 23 1 1 X 78 78 GLY HA2 H 71 4.205 4.054 0.151 1
1 842 . 23 1 1 X 78 78 GLY HA3 H 71 4.092 4.057 0.035 1
1 843 . 23 1 1 X 78 78 GLY CA C 71 45.581 44.191 1.390 1
1 844 . 23 1 1 X 78 78 GLY N N 71 108.388 108.477 -0.089 1
1 845 . 23 1 1 X 79 79 PRO HA H 72 4.199 4.242 -0.043 1
1 852 . 23 1 1 X 79 79 PRO C C 72 178.000 177.990 0.010 1
1 853 . 23 1 1 X 79 79 PRO CA C 72 65.568 65.302 0.266 1
1 854 . 23 1 1 X 79 79 PRO CB C 72 32.864 31.679 1.185 1
1 857 . 23 1 1 X 80 80 GLU H H 73 9.283 8.608 0.675 1
1 858 . 23 1 1 X 80 80 GLU HA H 73 3.833 4.158 -0.325 1
1 863 . 23 1 1 X 80 80 GLU C C 73 179.587 177.869 1.718 1
1 864 . 23 1 1 X 80 80 GLU CA C 73 61.125 58.085 3.040 1
1 865 . 23 1 1 X 80 80 GLU CB C 73 28.576 29.185 -0.609 1
1 867 . 23 1 1 X 80 80 GLU N N 73 117.078 117.008 0.070 1
1 868 . 23 1 1 X 81 81 GLY H H 74 7.926 8.202 -0.276 1
1 869 . 23 1 1 X 81 81 GLY HA2 H 74 3.964 4.018 -0.054 1
1 870 . 23 1 1 X 81 81 GLY HA3 H 74 3.914 4.028 -0.114 1
1 871 . 23 1 1 X 81 81 GLY C C 74 176.538 175.017 1.521 1
1 872 . 23 1 1 X 81 81 GLY CA C 74 47.084 45.320 1.764 1
1 873 . 23 1 1 X 81 81 GLY N N 74 108.577 108.066 0.511 1
1 874 . 23 1 1 X 82 82 ILE H H 75 7.593 7.700 -0.107 1
1 875 . 23 1 1 X 82 82 ILE HA H 75 3.873 3.860 0.013 1
1 885 . 23 1 1 X 82 82 ILE C C 75 178.147 178.007 0.140 1
1 886 . 23 1 1 X 82 82 ILE CA C 75 65.342 64.616 0.726 1
1 887 . 23 1 1 X 82 82 ILE CB C 75 38.163 37.498 0.665 1
1 891 . 23 1 1 X 82 82 ILE N N 75 123.572 121.645 1.927 1
1 892 . 23 1 1 X 83 83 VAL H H 76 8.135 7.739 0.396 1
1 893 . 23 1 1 X 83 83 VAL HA H 76 3.575 4.061 -0.486 1
1 901 . 23 1 1 X 83 83 VAL C C 76 177.094 178.176 -1.082 1
1 902 . 23 1 1 X 83 83 VAL CA C 76 68.153 65.621 2.532 1
1 903 . 23 1 1 X 83 83 VAL CB C 76 31.653 31.282 0.371 1
1 906 . 23 1 1 X 83 83 VAL N N 76 118.553 121.144 -2.591 1
1 907 . 23 1 1 X 84 84 LYS H H 77 7.803 8.144 -0.341 1
1 908 . 23 1 1 X 84 84 LYS HA H 77 4.006 4.053 -0.047 1
1 917 . 23 1 1 X 84 84 LYS C C 77 178.064 178.923 -0.859 1
1 918 . 23 1 1 X 84 84 LYS CA C 77 60.516 59.577 0.939 1
1 919 . 23 1 1 X 84 84 LYS CB C 77 32.849 32.406 0.443 1
1 923 . 23 1 1 X 84 84 LYS N N 77 119.572 121.196 -1.624 1
1 924 . 23 1 1 X 85 85 GLU H H 78 7.629 7.751 -0.122 1
1 925 . 23 1 1 X 85 85 GLU HA H 78 4.246 4.146 0.100 1
1 930 . 23 1 1 X 85 85 GLU C C 78 179.834 179.610 0.224 1
1 931 . 23 1 1 X 85 85 GLU CA C 78 59.752 59.328 0.424 1
1 932 . 23 1 1 X 85 85 GLU CB C 78 29.189 29.487 -0.298 1
1 934 . 23 1 1 X 85 85 GLU N N 78 118.366 118.321 0.045 1
1 935 . 23 1 1 X 86 86 ILE H H 79 8.432 8.036 0.396 1
1 936 . 23 1 1 X 86 86 ILE HA H 79 3.781 3.713 0.068 1
1 946 . 23 1 1 X 86 86 ILE C C 79 177.578 178.097 -0.519 1
1 947 . 23 1 1 X 86 86 ILE CA C 79 65.454 64.931 0.523 1
1 948 . 23 1 1 X 86 86 ILE CB C 79 37.940 37.822 0.118 1
1 952 . 23 1 1 X 86 86 ILE N N 79 118.975 120.418 -1.443 1
1 953 . 23 1 1 X 87 87 LYS H H 80 9.096 8.830 0.266 1
1 954 . 23 1 1 X 87 87 LYS HA H 80 3.958 4.116 -0.158 1
1 963 . 23 1 1 X 87 87 LYS C C 80 180.285 178.471 1.814 1
1 964 . 23 1 1 X 87 87 LYS CA C 80 60.290 59.189 1.101 1
1 965 . 23 1 1 X 87 87 LYS CB C 80 33.299 32.227 1.072 1
1 969 . 23 1 1 X 87 87 LYS N N 80 119.805 120.689 -0.884 1
1 970 . 23 1 1 X 88 88 GLU H H 81 8.508 7.885 0.623 1
1 971 . 23 1 1 X 88 88 GLU HA H 81 4.099 4.110 -0.011 1
1 976 . 23 1 1 X 88 88 GLU C C 81 179.195 178.878 0.317 1
1 977 . 23 1 1 X 88 88 GLU CA C 81 59.632 59.130 0.502 1
1 978 . 23 1 1 X 88 88 GLU CB C 81 29.649 29.528 0.121 1
1 980 . 23 1 1 X 88 88 GLU N N 81 118.920 119.392 -0.472 1
1 981 . 23 1 1 X 89 89 TRP H H 82 8.682 8.108 0.574 1
1 982 . 23 1 1 X 89 89 TRP HA H 82 4.201 4.319 -0.118 1
1 991 . 23 1 1 X 89 89 TRP C C 82 179.807 177.985 1.822 1
1 992 . 23 1 1 X 89 89 TRP CA C 82 63.110 60.757 2.353 1
1 993 . 23 1 1 X 89 89 TRP CB C 82 29.285 29.576 -0.291 1
1 999 . 23 1 1 X 89 89 TRP N N 82 122.152 122.526 -0.374 1
1 1001 . 23 1 1 X 90 90 ARG H H 83 9.025 8.831 0.194 1
1 1002 . 23 1 1 X 90 90 ARG HA H 83 3.295 3.935 -0.640 1
1 1009 . 23 1 1 X 90 90 ARG C C 83 178.120 177.993 0.127 1
1 1010 . 23 1 1 X 90 90 ARG CA C 83 60.895 59.765 1.130 1
1 1011 . 23 1 1 X 90 90 ARG CB C 83 28.668 29.716 -1.048 1
1 1014 . 23 1 1 X 90 90 ARG N N 83 118.380 119.692 -1.312 1
1 1015 . 23 1 1 X 91 91 ALA H H 84 7.759 8.198 -0.439 1
1 1016 . 23 1 1 X 91 91 ALA HA H 84 4.151 4.127 0.024 1
1 1020 . 23 1 1 X 91 91 ALA C C 84 181.466 179.737 1.729 1
1 1021 . 23 1 1 X 91 91 ALA CA C 84 55.217 54.841 0.376 1
1 1022 . 23 1 1 X 91 91 ALA CB C 84 18.175 18.130 0.045 1
1 1023 . 23 1 1 X 91 91 ALA N N 84 120.210 120.612 -0.402 1
1 1024 . 23 1 1 X 92 92 ALA H H 85 7.943 7.934 0.009 1
1 1025 . 23 1 1 X 92 92 ALA HA H 85 4.081 4.013 0.068 1
1 1029 . 23 1 1 X 92 92 ALA C C 85 178.324 179.775 -1.451 1
1 1030 . 23 1 1 X 92 92 ALA CA C 85 54.244 54.999 -0.755 1
1 1031 . 23 1 1 X 92 92 ALA CB C 85 18.306 18.158 0.148 1
1 1032 . 23 1 1 X 92 92 ALA N N 85 120.470 120.125 0.345 1
1 1033 . 23 1 1 X 93 93 ASN H H 86 7.005 7.805 -0.800 1
1 1034 . 23 1 1 X 93 93 ASN HA H 86 4.475 4.485 -0.010 1
1 1039 . 23 1 1 X 93 93 ASN C C 86 174.108 175.390 -1.282 1
1 1040 . 23 1 1 X 93 93 ASN CA C 86 53.347 53.330 0.017 1
1 1041 . 23 1 1 X 93 93 ASN CB C 86 39.379 38.546 0.833 1
1 1043 . 23 1 1 X 93 93 ASN N N 86 113.372 114.088 -0.716 1
1 1045 . 23 1 1 X 94 94 GLY H H 87 7.535 8.220 -0.685 1
1 1046 . 23 1 1 X 94 94 GLY HA2 H 87 3.810 3.878 -0.068 1
1 1047 . 23 1 1 X 94 94 GLY HA3 H 87 3.810 3.888 -0.078 1
1 1048 . 23 1 1 X 94 94 GLY C C 87 174.481 174.012 0.469 1
1 1049 . 23 1 1 X 94 94 GLY CA C 87 47.230 45.672 1.558 1
1 1050 . 23 1 1 X 94 94 GLY N N 87 108.152 107.204 0.948 1
1 1051 . 23 1 1 X 95 95 LYS H H 88 8.037 8.105 -0.068 1
1 1052 . 23 1 1 X 95 95 LYS HA H 88 4.654 4.723 -0.069 1
1 1061 . 23 1 1 X 95 95 LYS CA C 88 53.357 52.947 0.410 1
1 1062 . 23 1 1 X 95 95 LYS CB C 88 32.741 33.457 -0.716 1
1 1066 . 23 1 1 X 95 95 LYS N N 88 119.147 120.175 -1.028 1
1 1067 . 23 1 1 X 96 96 PRO HA H 89 4.275 4.424 -0.149 1
1 1074 . 23 1 1 X 96 96 PRO C C 89 176.696 176.300 0.396 1
1 1075 . 23 1 1 X 96 96 PRO CA C 89 63.482 63.196 0.286 1
1 1076 . 23 1 1 X 96 96 PRO CB C 89 32.981 32.038 0.943 1
1 1079 . 23 1 1 X 97 97 GLY H H 90 8.336 8.333 0.003 1
1 1080 . 23 1 1 X 97 97 GLY HA2 H 90 4.074 3.713 0.361 1
1 1081 . 23 1 1 X 97 97 GLY HA3 H 90 3.615 3.759 -0.144 1
1 1082 . 23 1 1 X 97 97 GLY C C 90 173.388 173.376 0.012 1
1 1083 . 23 1 1 X 97 97 GLY CA C 90 43.347 44.363 -1.016 1
1 1084 . 23 1 1 X 97 97 GLY N N 90 110.343 107.747 2.596 1
1 1085 . 23 1 1 X 98 98 PHE H H 91 7.749 7.998 -0.249 1
1 1086 . 23 1 1 X 98 98 PHE HA H 91 4.527 5.050 -0.523 1
1 1094 . 23 1 1 X 98 98 PHE C C 91 177.021 175.527 1.494 1
1 1095 . 23 1 1 X 98 98 PHE CA C 91 59.184 57.977 1.207 1
1 1096 . 23 1 1 X 98 98 PHE CB C 91 40.005 40.673 -0.668 1
1 1102 . 23 1 1 X 98 98 PHE N N 91 116.151 120.590 -4.439 1
1 1103 . 23 1 1 X 99 99 LYS H H 92 8.531 9.157 -0.626 1
1 1104 . 23 1 1 X 99 99 LYS HA H 92 4.178 4.861 -0.683 1
1 1113 . 23 1 1 X 99 99 LYS C C 92 176.542 176.208 0.334 1
1 1114 . 23 1 1 X 99 99 LYS CA C 92 57.292 55.395 1.897 1
1 1115 . 23 1 1 X 99 99 LYS CB C 92 32.875 34.387 -1.512 1
1 1119 . 23 1 1 X 99 99 LYS N N 92 123.602 119.389 4.213 1
1 1120 . 23 1 1 X 100 100 GLN H H 93 8.633 8.466 0.167 1
1 1121 . 23 1 1 X 100 100 GLN HA H 93 4.297 4.953 -0.656 1
1 1128 . 23 1 1 X 100 100 GLN C C 93 175.318 175.718 -0.400 1
1 1129 . 23 1 1 X 100 100 GLN CA C 93 56.479 54.896 1.583 1
1 1130 . 23 1 1 X 100 100 GLN CB C 93 29.751 30.548 -0.797 1
1 1133 . 23 1 1 X 100 100 GLN N N 93 125.089 120.050 5.039 1
1 12 . 24 1 1 X 10 10 LEU H H 3 8.121 8.699 -0.578 1
1 13 . 24 1 1 X 10 10 LEU HA H 3 4.240 5.551 -1.311 1
1 23 . 24 1 1 X 10 10 LEU C C 3 176.909 176.173 0.736 1
1 24 . 24 1 1 X 10 10 LEU CA C 3 54.748 53.627 1.121 1
1 25 . 24 1 1 X 10 10 LEU CB C 3 41.272 43.154 -1.882 1
1 29 . 24 1 1 X 10 10 LEU N N 3 123.688 123.511 0.177 1
1 30 . 24 1 1 X 11 11 LYS H H 4 7.677 8.794 -1.117 1
1 31 . 24 1 1 X 11 11 LYS HA H 4 4.404 4.650 -0.246 1
1 40 . 24 1 1 X 11 11 LYS C C 4 176.184 177.529 -1.345 1
1 41 . 24 1 1 X 11 11 LYS CA C 4 55.828 54.430 1.398 1
1 42 . 24 1 1 X 11 11 LYS CB C 4 33.482 34.131 -0.649 1
1 46 . 24 1 1 X 11 11 LYS N N 4 122.221 123.415 -1.194 1
1 47 . 24 1 1 X 12 12 ASN H H 5 8.538 8.572 -0.034 1
1 48 . 24 1 1 X 12 12 ASN HA H 5 4.685 4.741 -0.056 1
1 53 . 24 1 1 X 12 12 ASN C C 5 174.925 175.176 -0.251 1
1 54 . 24 1 1 X 12 12 ASN CA C 5 55.721 54.827 0.894 1
1 55 . 24 1 1 X 12 12 ASN CB C 5 40.409 39.572 0.837 1
1 57 . 24 1 1 X 12 12 ASN N N 5 116.610 120.396 -3.786 1
1 59 . 24 1 1 X 13 13 SER H H 6 8.144 7.673 0.471 1
1 60 . 24 1 1 X 13 13 SER HA H 6 4.819 4.850 -0.031 1
1 63 . 24 1 1 X 13 13 SER C C 6 175.123 175.138 -0.015 1
1 64 . 24 1 1 X 13 13 SER CA C 6 56.778 55.410 1.368 1
1 65 . 24 1 1 X 13 13 SER CB C 6 65.949 67.206 -1.257 1
1 66 . 24 1 1 X 13 13 SER N N 6 112.138 109.943 2.195 1
1 67 . 24 1 1 X 14 14 ILE H H 7 9.318 8.803 0.515 1
1 68 . 24 1 1 X 14 14 ILE HA H 7 3.966 4.257 -0.291 1
1 78 . 24 1 1 X 14 14 ILE C C 7 175.537 178.441 -2.904 1
1 79 . 24 1 1 X 14 14 ILE CA C 7 64.956 63.918 1.038 1
1 80 . 24 1 1 X 14 14 ILE CB C 7 37.062 38.003 -0.941 1
1 84 . 24 1 1 X 14 14 ILE N N 7 126.034 125.192 0.842 1
1 85 . 24 1 1 X 15 15 SER H H 8 7.504 8.285 -0.781 1
1 86 . 24 1 1 X 15 15 SER HA H 8 4.694 4.394 0.300 1
1 89 . 24 1 1 X 15 15 SER C C 8 174.278 174.764 -0.486 1
1 90 . 24 1 1 X 15 15 SER CA C 8 59.481 61.005 -1.524 1
1 91 . 24 1 1 X 15 15 SER CB C 8 63.241 63.473 -0.232 1
1 92 . 24 1 1 X 15 15 SER N N 8 112.517 117.663 -5.146 1
1 93 . 24 1 1 X 16 16 ASP H H 9 7.783 7.691 0.092 1
1 94 . 24 1 1 X 16 16 ASP HA H 9 4.791 4.731 0.060 1
1 97 . 24 1 1 X 16 16 ASP C C 9 175.976 175.896 0.080 1
1 98 . 24 1 1 X 16 16 ASP CA C 9 55.243 53.375 1.868 1
1 99 . 24 1 1 X 16 16 ASP CB C 9 43.327 41.010 2.317 1
1 100 . 24 1 1 X 16 16 ASP N N 9 117.795 119.887 -2.092 1
1 101 . 24 1 1 X 17 17 TYR H H 10 8.279 7.714 0.565 1
1 102 . 24 1 1 X 17 17 TYR HA H 10 4.962 5.025 -0.063 1
1 109 . 24 1 1 X 17 17 TYR C C 10 177.535 176.209 1.326 1
1 110 . 24 1 1 X 17 17 TYR CA C 10 58.573 57.529 1.044 1
1 111 . 24 1 1 X 17 17 TYR CB C 10 41.015 39.675 1.340 1
1 116 . 24 1 1 X 17 17 TYR N N 10 120.484 119.251 1.233 1
1 117 . 24 1 1 X 18 18 THR H H 11 8.796 8.835 -0.039 1
1 118 . 24 1 1 X 18 18 THR HA H 11 5.040 5.163 -0.123 1
1 123 . 24 1 1 X 18 18 THR C C 11 176.099 175.955 0.144 1
1 124 . 24 1 1 X 18 18 THR CA C 11 60.775 60.553 0.222 1
1 125 . 24 1 1 X 18 18 THR CB C 11 71.041 70.898 0.143 1
1 127 . 24 1 1 X 18 18 THR N N 11 112.143 116.950 -4.807 1
1 128 . 24 1 1 X 19 19 GLU H H 12 9.173 9.075 0.098 1
1 129 . 24 1 1 X 19 19 GLU HA H 12 2.757 3.708 -0.951 1
1 134 . 24 1 1 X 19 19 GLU C C 12 178.378 178.491 -0.113 1
1 135 . 24 1 1 X 19 19 GLU CA C 12 60.906 59.206 1.700 1
1 136 . 24 1 1 X 19 19 GLU CB C 12 29.442 29.082 0.360 1
1 138 . 24 1 1 X 19 19 GLU N N 12 122.386 121.146 1.240 1
1 139 . 24 1 1 X 20 20 ALA H H 13 8.356 8.270 0.086 1
1 140 . 24 1 1 X 20 20 ALA HA H 13 4.069 4.142 -0.073 1
1 144 . 24 1 1 X 20 20 ALA C C 13 181.816 179.510 2.306 1
1 145 . 24 1 1 X 20 20 ALA CA C 13 55.388 54.992 0.396 1
1 146 . 24 1 1 X 20 20 ALA CB C 13 18.308 18.434 -0.126 1
1 147 . 24 1 1 X 20 20 ALA N N 13 118.695 122.090 -3.395 1
1 148 . 24 1 1 X 21 21 GLU H H 14 8.013 8.044 -0.031 1
1 149 . 24 1 1 X 21 21 GLU HA H 14 4.131 4.126 0.005 1
1 154 . 24 1 1 X 21 21 GLU C C 14 179.649 179.321 0.328 1
1 155 . 24 1 1 X 21 21 GLU CA C 14 58.916 59.086 -0.170 1
1 156 . 24 1 1 X 21 21 GLU CB C 14 31.632 29.582 2.050 1
1 158 . 24 1 1 X 21 21 GLU N N 14 118.978 119.350 -0.372 1
1 159 . 24 1 1 X 22 22 PHE H H 15 8.635 8.357 0.278 1
1 160 . 24 1 1 X 22 22 PHE HA H 15 4.049 4.010 0.039 1
1 167 . 24 1 1 X 22 22 PHE C C 15 177.402 177.497 -0.095 1
1 168 . 24 1 1 X 22 22 PHE CA C 15 62.183 60.977 1.206 1
1 169 . 24 1 1 X 22 22 PHE CB C 15 40.545 38.716 1.829 1
1 174 . 24 1 1 X 22 22 PHE N N 15 124.639 122.103 2.536 1
1 175 . 24 1 1 X 23 23 VAL H H 16 8.647 8.375 0.272 1
1 176 . 24 1 1 X 23 23 VAL HA H 16 3.416 3.731 -0.315 1
1 184 . 24 1 1 X 23 23 VAL C C 16 177.798 177.800 -0.002 1
1 185 . 24 1 1 X 23 23 VAL CA C 16 67.917 66.217 1.700 1
1 186 . 24 1 1 X 23 23 VAL CB C 16 31.579 31.414 0.165 1
1 189 . 24 1 1 X 23 23 VAL N N 16 119.817 118.896 0.921 1
1 190 . 24 1 1 X 24 24 GLN H H 17 7.569 8.247 -0.678 1
1 191 . 24 1 1 X 24 24 GLN HA H 17 3.943 3.984 -0.041 1
1 198 . 24 1 1 X 24 24 GLN C C 17 178.313 178.115 0.198 1
1 199 . 24 1 1 X 24 24 GLN CA C 17 59.289 59.123 0.166 1
1 200 . 24 1 1 X 24 24 GLN CB C 17 27.814 28.094 -0.280 1
1 203 . 24 1 1 X 24 24 GLN N N 17 117.658 121.121 -3.463 1
1 205 . 24 1 1 X 25 25 LEU H H 18 7.512 7.893 -0.381 1
1 206 . 24 1 1 X 25 25 LEU HA H 18 4.136 4.018 0.118 1
1 216 . 24 1 1 X 25 25 LEU C C 18 178.440 178.163 0.277 1
1 217 . 24 1 1 X 25 25 LEU CA C 18 58.651 58.110 0.541 1
1 218 . 24 1 1 X 25 25 LEU CB C 18 40.626 41.088 -0.462 1
1 222 . 24 1 1 X 25 25 LEU N N 18 122.037 120.802 1.235 1
1 223 . 24 1 1 X 26 26 LEU H H 19 7.761 8.401 -0.640 1
1 224 . 24 1 1 X 26 26 LEU HA H 19 3.748 3.646 0.102 1
1 234 . 24 1 1 X 26 26 LEU C C 19 180.080 179.193 0.887 1
1 235 . 24 1 1 X 26 26 LEU CA C 19 58.041 57.435 0.606 1
1 236 . 24 1 1 X 26 26 LEU CB C 19 41.009 41.278 -0.269 1
1 240 . 24 1 1 X 26 26 LEU N N 19 118.502 118.164 0.338 1
1 241 . 24 1 1 X 27 27 LYS H H 20 8.357 8.191 0.166 1
1 242 . 24 1 1 X 27 27 LYS HA H 20 4.019 3.898 0.121 1
1 251 . 24 1 1 X 27 27 LYS C C 20 179.559 179.683 -0.124 1
1 252 . 24 1 1 X 27 27 LYS CA C 20 59.648 60.172 -0.524 1
1 253 . 24 1 1 X 27 27 LYS CB C 20 31.995 31.970 0.025 1
1 257 . 24 1 1 X 27 27 LYS N N 20 120.427 118.309 2.118 1
1 258 . 24 1 1 X 28 28 GLU H H 21 8.123 7.847 0.276 1
1 259 . 24 1 1 X 28 28 GLU HA H 21 4.082 3.986 0.096 1
1 264 . 24 1 1 X 28 28 GLU C C 21 179.063 179.121 -0.058 1
1 265 . 24 1 1 X 28 28 GLU CA C 21 59.406 59.294 0.112 1
1 266 . 24 1 1 X 28 28 GLU CB C 21 29.146 29.332 -0.186 1
1 268 . 24 1 1 X 28 28 GLU N N 21 122.374 120.012 2.362 1
1 269 . 24 1 1 X 29 29 ILE H H 22 8.049 8.055 -0.006 1
1 270 . 24 1 1 X 29 29 ILE HA H 22 3.343 3.471 -0.128 1
1 280 . 24 1 1 X 29 29 ILE C C 22 177.151 177.898 -0.747 1
1 281 . 24 1 1 X 29 29 ILE CA C 22 66.435 65.671 0.764 1
1 282 . 24 1 1 X 29 29 ILE CB C 22 37.954 37.569 0.385 1
1 286 . 24 1 1 X 29 29 ILE N N 22 120.195 121.159 -0.964 1
1 287 . 24 1 1 X 30 30 GLU H H 23 7.820 7.927 -0.107 1
1 288 . 24 1 1 X 30 30 GLU HA H 23 3.983 3.755 0.228 1
1 293 . 24 1 1 X 30 30 GLU C C 23 178.990 179.176 -0.186 1
1 294 . 24 1 1 X 30 30 GLU CA C 23 59.460 59.795 -0.335 1
1 295 . 24 1 1 X 30 30 GLU CB C 23 30.012 29.468 0.544 1
1 297 . 24 1 1 X 30 30 GLU N N 23 118.917 118.789 0.128 1
1 298 . 24 1 1 X 31 31 LYS H H 24 7.678 7.672 0.006 1
1 299 . 24 1 1 X 31 31 LYS HA H 24 4.059 3.946 0.113 1
1 308 . 24 1 1 X 31 31 LYS C C 24 179.231 179.333 -0.102 1
1 309 . 24 1 1 X 31 31 LYS CA C 24 59.152 59.768 -0.616 1
1 310 . 24 1 1 X 31 31 LYS CB C 24 32.712 32.464 0.248 1
1 314 . 24 1 1 X 31 31 LYS N N 24 118.807 119.985 -1.178 1
1 315 . 24 1 1 X 32 32 GLU H H 25 8.182 8.111 0.071 1
1 316 . 24 1 1 X 32 32 GLU HA H 25 4.309 4.059 0.250 1
1 321 . 24 1 1 X 32 32 GLU C C 25 177.897 179.328 -1.431 1
1 322 . 24 1 1 X 32 32 GLU CA C 25 57.449 59.291 -1.842 1
1 323 . 24 1 1 X 32 32 GLU CB C 25 29.522 28.585 0.937 1
1 325 . 24 1 1 X 32 32 GLU N N 25 118.578 119.052 -0.474 1
1 326 . 24 1 1 X 33 33 ASN H H 26 8.343 7.940 0.403 1
1 327 . 24 1 1 X 33 33 ASN HA H 26 4.608 4.423 0.185 1
1 330 . 24 1 1 X 33 33 ASN C C 26 176.524 177.454 -0.930 1
1 331 . 24 1 1 X 33 33 ASN CA C 26 55.463 56.280 -0.817 1
1 332 . 24 1 1 X 33 33 ASN CB C 26 39.074 38.693 0.381 1
1 333 . 24 1 1 X 33 33 ASN N N 26 118.483 118.578 -0.095 1
1 334 . 24 1 1 X 34 34 VAL H H 27 7.434 8.209 -0.775 1
1 335 . 24 1 1 X 34 34 VAL HA H 27 4.182 3.969 0.213 1
1 343 . 24 1 1 X 34 34 VAL C C 27 176.315 176.605 -0.290 1
1 344 . 24 1 1 X 34 34 VAL CA C 27 62.829 64.151 -1.322 1
1 345 . 24 1 1 X 34 34 VAL CB C 27 32.178 31.120 1.058 1
1 348 . 24 1 1 X 34 34 VAL N N 27 114.036 116.253 -2.217 1
1 349 . 24 1 1 X 35 35 ALA H H 28 7.648 7.332 0.316 1
1 350 . 24 1 1 X 35 35 ALA HA H 28 4.346 4.343 0.003 1
1 354 . 24 1 1 X 35 35 ALA C C 28 177.126 176.841 0.285 1
1 355 . 24 1 1 X 35 35 ALA CA C 28 52.712 51.933 0.779 1
1 356 . 24 1 1 X 35 35 ALA CB C 28 19.915 19.485 0.430 1
1 357 . 24 1 1 X 35 35 ALA N N 28 124.066 123.712 0.354 1
1 358 . 24 1 1 X 36 36 ALA H H 29 8.337 7.816 0.521 1
1 359 . 24 1 1 X 36 36 ALA HA H 29 4.260 4.038 0.222 1
1 363 . 24 1 1 X 36 36 ALA C C 29 177.999 177.747 0.252 1
1 364 . 24 1 1 X 36 36 ALA CA C 29 53.660 52.826 0.834 1
1 365 . 24 1 1 X 36 36 ALA CB C 29 19.175 17.119 2.056 1
1 366 . 24 1 1 X 36 36 ALA N N 29 121.695 119.796 1.899 1
1 367 . 24 1 1 X 37 37 THR H H 30 8.093 8.032 0.061 1
1 368 . 24 1 1 X 37 37 THR HA H 30 4.533 4.439 0.094 1
1 373 . 24 1 1 X 37 37 THR C C 30 174.715 175.808 -1.093 1
1 374 . 24 1 1 X 37 37 THR CA C 30 60.860 62.531 -1.671 1
1 375 . 24 1 1 X 37 37 THR CB C 30 70.424 70.135 0.289 1
1 377 . 24 1 1 X 37 37 THR N N 30 110.112 109.978 0.134 1
1 378 . 24 1 1 X 38 38 ASP H H 31 8.488 8.064 0.424 1
1 379 . 24 1 1 X 38 38 ASP HA H 31 4.685 4.226 0.459 1
1 382 . 24 1 1 X 38 38 ASP C C 31 175.896 176.100 -0.204 1
1 383 . 24 1 1 X 38 38 ASP CA C 31 54.704 56.698 -1.994 1
1 384 . 24 1 1 X 38 38 ASP CB C 31 41.389 38.807 2.582 1
1 385 . 24 1 1 X 38 38 ASP N N 31 121.899 116.381 5.518 1
1 386 . 24 1 1 X 39 39 ASP H H 32 8.368 8.561 -0.193 1
1 387 . 24 1 1 X 39 39 ASP HA H 32 4.459 4.425 0.034 1
1 390 . 24 1 1 X 39 39 ASP C C 32 177.499 178.747 -1.248 1
1 391 . 24 1 1 X 39 39 ASP CA C 32 56.443 57.345 -0.902 1
1 392 . 24 1 1 X 39 39 ASP CB C 32 40.737 41.337 -0.600 1
1 393 . 24 1 1 X 39 39 ASP N N 32 118.770 120.578 -1.808 1
1 394 . 24 1 1 X 40 40 VAL H H 33 7.963 7.871 0.092 1
1 395 . 24 1 1 X 40 40 VAL HA H 33 3.800 3.620 0.180 1
1 403 . 24 1 1 X 40 40 VAL C C 33 177.362 177.695 -0.333 1
1 404 . 24 1 1 X 40 40 VAL CA C 33 64.970 66.306 -1.336 1
1 405 . 24 1 1 X 40 40 VAL CB C 33 32.256 31.370 0.886 1
1 408 . 24 1 1 X 40 40 VAL N N 33 119.409 118.431 0.978 1
1 409 . 24 1 1 X 41 41 LEU H H 34 8.508 8.021 0.487 1
1 410 . 24 1 1 X 41 41 LEU HA H 34 3.857 3.896 -0.039 1
1 420 . 24 1 1 X 41 41 LEU C C 34 177.633 178.140 -0.507 1
1 421 . 24 1 1 X 41 41 LEU CA C 34 58.428 58.591 -0.163 1
1 422 . 24 1 1 X 41 41 LEU CB C 34 41.755 41.199 0.556 1
1 426 . 24 1 1 X 41 41 LEU N N 34 122.150 120.737 1.413 1
1 427 . 24 1 1 X 42 42 ASP H H 35 8.236 8.678 -0.442 1
1 428 . 24 1 1 X 42 42 ASP HA H 35 4.370 4.366 0.004 1
1 431 . 24 1 1 X 42 42 ASP C C 35 179.155 178.630 0.525 1
1 432 . 24 1 1 X 42 42 ASP CA C 35 57.925 57.800 0.125 1
1 433 . 24 1 1 X 42 42 ASP CB C 35 40.417 41.014 -0.597 1
1 434 . 24 1 1 X 42 42 ASP N N 35 116.374 118.890 -2.516 1
1 435 . 24 1 1 X 43 43 VAL H H 36 7.320 8.107 -0.787 1
1 436 . 24 1 1 X 43 43 VAL HA H 36 3.782 3.601 0.181 1
1 444 . 24 1 1 X 43 43 VAL C C 36 179.309 178.224 1.085 1
1 445 . 24 1 1 X 43 43 VAL CA C 36 66.080 66.692 -0.612 1
1 446 . 24 1 1 X 43 43 VAL CB C 36 32.245 31.779 0.466 1
1 449 . 24 1 1 X 43 43 VAL N N 36 119.754 119.719 0.035 1
1 450 . 24 1 1 X 44 44 LEU H H 37 8.122 8.520 -0.398 1
1 451 . 24 1 1 X 44 44 LEU HA H 37 4.008 4.034 -0.026 1
1 461 . 24 1 1 X 44 44 LEU C C 37 179.518 179.270 0.248 1
1 462 . 24 1 1 X 44 44 LEU CA C 37 58.048 57.866 0.182 1
1 463 . 24 1 1 X 44 44 LEU CB C 37 42.374 41.532 0.842 1
1 467 . 24 1 1 X 44 44 LEU N N 37 120.608 118.943 1.665 1
1 468 . 24 1 1 X 45 45 LEU H H 38 8.898 8.308 0.590 1
1 469 . 24 1 1 X 45 45 LEU HA H 38 4.030 3.890 0.140 1
1 479 . 24 1 1 X 45 45 LEU C C 38 179.166 179.544 -0.378 1
1 480 . 24 1 1 X 45 45 LEU CA C 38 58.184 58.271 -0.087 1
1 481 . 24 1 1 X 45 45 LEU CB C 38 41.506 41.458 0.048 1
1 485 . 24 1 1 X 45 45 LEU N N 38 119.199 119.269 -0.070 1
1 486 . 24 1 1 X 46 46 GLU H H 39 7.964 8.740 -0.776 1
1 487 . 24 1 1 X 46 46 GLU HA H 39 4.066 4.136 -0.070 1
1 492 . 24 1 1 X 46 46 GLU C C 39 178.995 178.867 0.128 1
1 493 . 24 1 1 X 46 46 GLU CA C 39 59.769 59.175 0.594 1
1 494 . 24 1 1 X 46 46 GLU CB C 39 29.577 28.989 0.588 1
1 496 . 24 1 1 X 46 46 GLU N N 39 119.334 118.138 1.196 1
1 497 . 24 1 1 X 47 47 HIS H H 40 8.009 8.636 -0.627 1
1 498 . 24 1 1 X 47 47 HIS HA H 40 4.416 4.395 0.021 1
1 503 . 24 1 1 X 47 47 HIS C C 40 176.115 176.950 -0.835 1
1 504 . 24 1 1 X 47 47 HIS CA C 40 60.151 58.862 1.289 1
1 505 . 24 1 1 X 47 47 HIS CB C 40 30.389 30.510 -0.121 1
1 508 . 24 1 1 X 47 47 HIS N N 40 119.610 120.536 -0.926 1
1 509 . 24 1 1 X 48 48 PHE H H 41 8.711 8.525 0.186 1
1 510 . 24 1 1 X 48 48 PHE HA H 41 3.808 4.089 -0.281 1
1 518 . 24 1 1 X 48 48 PHE C C 41 178.023 177.315 0.708 1
1 519 . 24 1 1 X 48 48 PHE CA C 41 62.654 61.416 1.238 1
1 520 . 24 1 1 X 48 48 PHE CB C 41 39.408 39.222 0.186 1
1 526 . 24 1 1 X 48 48 PHE N N 41 118.110 120.212 -2.102 1
1 527 . 24 1 1 X 49 49 VAL H H 42 8.439 8.330 0.109 1
1 528 . 24 1 1 X 49 49 VAL HA H 42 3.359 3.874 -0.515 1
1 536 . 24 1 1 X 49 49 VAL C C 42 178.340 177.579 0.761 1
1 537 . 24 1 1 X 49 49 VAL CA C 42 67.276 64.426 2.850 1
1 538 . 24 1 1 X 49 49 VAL CB C 42 32.235 31.346 0.889 1
1 541 . 24 1 1 X 49 49 VAL N N 42 121.301 118.741 2.560 1
1 542 . 24 1 1 X 50 50 LYS H H 43 8.091 8.733 -0.642 1
1 543 . 24 1 1 X 50 50 LYS HA H 43 3.973 4.100 -0.127 1
1 552 . 24 1 1 X 50 50 LYS C C 43 178.985 178.243 0.742 1
1 553 . 24 1 1 X 50 50 LYS CA C 43 59.580 58.929 0.651 1
1 554 . 24 1 1 X 50 50 LYS CB C 43 32.784 31.770 1.014 1
1 558 . 24 1 1 X 50 50 LYS N N 43 120.887 119.809 1.078 1
1 559 . 24 1 1 X 51 51 ILE H H 44 8.347 7.247 1.100 1
1 560 . 24 1 1 X 51 51 ILE HA H 44 4.159 3.856 0.303 1
1 570 . 24 1 1 X 51 51 ILE C C 44 178.121 177.963 0.158 1
1 571 . 24 1 1 X 51 51 ILE CA C 44 62.328 64.023 -1.695 1
1 572 . 24 1 1 X 51 51 ILE CB C 44 37.576 37.586 -0.010 1
1 576 . 24 1 1 X 51 51 ILE N N 44 111.354 116.936 -5.582 1
1 577 . 24 1 1 X 52 52 THR H H 45 7.588 7.755 -0.167 1
1 578 . 24 1 1 X 52 52 THR HA H 45 3.683 4.108 -0.425 1
1 583 . 24 1 1 X 52 52 THR C C 45 176.285 175.378 0.907 1
1 584 . 24 1 1 X 52 52 THR CA C 45 65.803 63.035 2.768 1
1 585 . 24 1 1 X 52 52 THR CB C 45 69.689 69.817 -0.128 1
1 587 . 24 1 1 X 52 52 THR N N 45 109.646 112.701 -3.055 1
1 588 . 24 1 1 X 53 53 GLU H H 46 7.366 7.993 -0.627 1
1 589 . 24 1 1 X 53 53 GLU HA H 46 3.836 4.155 -0.319 1
1 594 . 24 1 1 X 53 53 GLU C C 46 173.418 174.924 -1.506 1
1 595 . 24 1 1 X 53 53 GLU CA C 46 57.709 57.506 0.203 1
1 596 . 24 1 1 X 53 53 GLU CB C 46 29.067 27.579 1.488 1
1 598 . 24 1 1 X 53 53 GLU N N 46 112.606 113.372 -0.766 1
1 599 . 24 1 1 X 54 54 HIS H H 47 7.127 7.049 0.078 1
1 600 . 24 1 1 X 54 54 HIS HA H 47 3.070 3.104 -0.034 1
1 605 . 24 1 1 X 54 54 HIS CA C 47 55.826 54.754 1.072 1
1 606 . 24 1 1 X 54 54 HIS CB C 47 32.124 30.709 1.415 1
1 609 . 24 1 1 X 54 54 HIS N N 47 119.651 120.195 -0.544 1
1 610 . 24 1 1 X 55 55 PRO HA H 48 4.143 4.358 -0.215 1
1 617 . 24 1 1 X 55 55 PRO CA C 48 64.843 64.383 0.460 1
1 618 . 24 1 1 X 55 55 PRO CB C 48 32.350 31.625 0.725 1
1 621 . 24 1 1 X 56 56 ASP H H 49 10.605 7.392 3.213 1
1 622 . 24 1 1 X 56 56 ASP HA H 49 4.712 5.031 -0.319 1
1 625 . 24 1 1 X 56 56 ASP C C 49 178.187 177.419 0.768 1
1 626 . 24 1 1 X 56 56 ASP CA C 49 54.989 53.684 1.305 1
1 627 . 24 1 1 X 56 56 ASP CB C 49 40.657 41.866 -1.209 1
1 628 . 24 1 1 X 56 56 ASP N N 49 121.022 117.823 3.199 1
1 629 . 24 1 1 X 57 57 GLY H H 50 8.011 8.157 -0.146 1
1 630 . 24 1 1 X 57 57 GLY HA2 H 50 4.122 4.022 0.100 1
1 631 . 24 1 1 X 57 57 GLY HA3 H 50 3.701 4.159 -0.458 1
1 632 . 24 1 1 X 57 57 GLY C C 50 175.337 176.337 -1.000 1
1 633 . 24 1 1 X 57 57 GLY CA C 50 47.435 47.725 -0.290 1
1 634 . 24 1 1 X 57 57 GLY N N 50 108.190 109.405 -1.215 1
1 635 . 24 1 1 X 58 58 THR H H 51 9.047 8.187 0.860 1
1 636 . 24 1 1 X 58 58 THR HA H 51 3.730 4.154 -0.424 1
1 641 . 24 1 1 X 58 58 THR C C 51 176.082 176.519 -0.437 1
1 642 . 24 1 1 X 58 58 THR CA C 51 64.795 65.710 -0.915 1
1 643 . 24 1 1 X 58 58 THR CB C 51 68.398 68.632 -0.234 1
1 645 . 24 1 1 X 58 58 THR N N 51 114.996 117.455 -2.459 1
1 646 . 24 1 1 X 59 59 ALA H H 52 8.142 8.223 -0.081 1
1 647 . 24 1 1 X 59 59 ALA HA H 52 4.205 4.207 -0.002 1
1 651 . 24 1 1 X 59 59 ALA C C 52 179.373 180.117 -0.744 1
1 652 . 24 1 1 X 59 59 ALA CA C 52 55.625 55.235 0.390 1
1 653 . 24 1 1 X 59 59 ALA CB C 52 18.416 18.182 0.234 1
1 654 . 24 1 1 X 59 59 ALA N N 52 125.565 123.684 1.881 1
1 655 . 24 1 1 X 60 60 LEU H H 53 7.399 8.372 -0.973 1
1 656 . 24 1 1 X 60 60 LEU HA H 53 3.835 4.016 -0.181 1
1 666 . 24 1 1 X 60 60 LEU C C 53 178.601 179.277 -0.676 1
1 667 . 24 1 1 X 60 60 LEU CA C 53 58.031 57.981 0.050 1
1 668 . 24 1 1 X 60 60 LEU CB C 53 43.487 42.300 1.187 1
1 672 . 24 1 1 X 60 60 LEU N N 53 114.763 118.081 -3.318 1
1 673 . 24 1 1 X 61 61 ILE H H 54 6.855 7.580 -0.725 1
1 674 . 24 1 1 X 61 61 ILE HA H 54 3.518 3.471 0.047 1
1 684 . 24 1 1 X 61 61 ILE C C 54 178.595 177.681 0.914 1
1 685 . 24 1 1 X 61 61 ILE CA C 54 62.989 64.925 -1.936 1
1 686 . 24 1 1 X 61 61 ILE CB C 54 38.424 37.428 0.996 1
1 690 . 24 1 1 X 61 61 ILE N N 54 114.394 119.120 -4.726 1
1 691 . 24 1 1 X 62 62 TYR H H 55 7.489 8.068 -0.579 1
1 692 . 24 1 1 X 62 62 TYR HA H 55 4.243 4.264 -0.021 1
1 699 . 24 1 1 X 62 62 TYR C C 55 178.634 178.866 -0.232 1
1 700 . 24 1 1 X 62 62 TYR CA C 55 61.518 60.577 0.941 1
1 701 . 24 1 1 X 62 62 TYR CB C 55 37.566 37.761 -0.195 1
1 706 . 24 1 1 X 62 62 TYR N N 55 117.898 119.709 -1.811 1
1 707 . 24 1 1 X 63 63 GLU H H 56 8.659 9.209 -0.550 1
1 708 . 24 1 1 X 63 63 GLU HA H 56 4.441 4.118 0.323 1
1 713 . 24 1 1 X 63 63 GLU C C 56 177.785 178.859 -1.074 1
1 714 . 24 1 1 X 63 63 GLU CA C 56 57.658 59.367 -1.709 1
1 715 . 24 1 1 X 63 63 GLU CB C 56 29.034 29.112 -0.078 1
1 717 . 24 1 1 X 63 63 GLU N N 56 119.392 117.848 1.544 1
1 718 . 24 1 1 X 64 64 ALA H H 57 7.164 8.068 -0.904 1
1 719 . 24 1 1 X 64 64 ALA HA H 57 4.021 4.116 -0.095 1
1 723 . 24 1 1 X 64 64 ALA C C 57 180.327 179.780 0.547 1
1 724 . 24 1 1 X 64 64 ALA CA C 57 55.759 54.932 0.827 1
1 725 . 24 1 1 X 64 64 ALA CB C 57 18.615 18.157 0.458 1
1 726 . 24 1 1 X 64 64 ALA N N 57 121.778 122.341 -0.563 1
1 727 . 24 1 1 X 65 65 ALA H H 58 8.076 8.135 -0.059 1
1 728 . 24 1 1 X 65 65 ALA HA H 58 4.137 3.959 0.178 1
1 732 . 24 1 1 X 65 65 ALA C C 58 180.248 179.533 0.715 1
1 733 . 24 1 1 X 65 65 ALA CA C 58 55.104 55.013 0.091 1
1 734 . 24 1 1 X 65 65 ALA CB C 58 18.071 18.087 -0.016 1
1 735 . 24 1 1 X 65 65 ALA N N 58 120.307 119.845 0.462 1
1 736 . 24 1 1 X 66 66 ALA H H 59 7.893 7.627 0.266 1
1 737 . 24 1 1 X 66 66 ALA HA H 59 4.170 4.087 0.083 1
1 741 . 24 1 1 X 66 66 ALA C C 59 180.838 179.482 1.356 1
1 742 . 24 1 1 X 66 66 ALA CA C 59 54.800 55.132 -0.332 1
1 743 . 24 1 1 X 66 66 ALA CB C 59 18.184 17.881 0.303 1
1 744 . 24 1 1 X 66 66 ALA N N 59 122.126 119.868 2.258 1
1 745 . 24 1 1 X 67 67 ARG H H 60 8.139 8.486 -0.347 1
1 746 . 24 1 1 X 67 67 ARG HA H 60 4.065 3.973 0.092 1
1 753 . 24 1 1 X 67 67 ARG C C 60 178.779 178.652 0.127 1
1 754 . 24 1 1 X 67 67 ARG CA C 60 59.282 59.755 -0.473 1
1 755 . 24 1 1 X 67 67 ARG CB C 60 30.863 29.928 0.935 1
1 758 . 24 1 1 X 67 67 ARG N N 60 118.948 117.660 1.288 1
1 759 . 24 1 1 X 68 68 ALA H H 61 7.891 8.406 -0.515 1
1 760 . 24 1 1 X 68 68 ALA HA H 61 4.141 4.141 0.000 1
1 764 . 24 1 1 X 68 68 ALA C C 61 179.329 179.567 -0.238 1
1 765 . 24 1 1 X 68 68 ALA CA C 61 54.340 54.994 -0.654 1
1 766 . 24 1 1 X 68 68 ALA CB C 61 18.528 18.288 0.240 1
1 767 . 24 1 1 X 68 68 ALA N N 61 121.473 122.460 -0.987 1
1 768 . 24 1 1 X 69 69 ALA H H 62 7.663 8.068 -0.405 1
1 769 . 24 1 1 X 69 69 ALA HA H 62 4.133 4.080 0.053 1
1 773 . 24 1 1 X 69 69 ALA C C 62 178.591 177.763 0.828 1
1 774 . 24 1 1 X 69 69 ALA CA C 62 53.863 54.987 -1.124 1
1 775 . 24 1 1 X 69 69 ALA CB C 62 18.438 18.781 -0.343 1
1 776 . 24 1 1 X 69 69 ALA N N 62 118.937 119.494 -0.557 1
1 777 . 24 1 1 X 70 70 ALA H H 63 7.488 8.218 -0.730 1
1 778 . 24 1 1 X 70 70 ALA HA H 63 4.280 4.489 -0.209 1
1 782 . 24 1 1 X 70 70 ALA C C 63 177.318 176.445 0.873 1
1 783 . 24 1 1 X 70 70 ALA CA C 63 52.981 50.596 2.385 1
1 784 . 24 1 1 X 70 70 ALA CB C 63 19.324 18.580 0.744 1
1 785 . 24 1 1 X 70 70 ALA N N 63 118.642 118.315 0.327 1
1 786 . 24 1 1 X 71 71 ASN H H 64 7.631 8.337 -0.706 1
1 787 . 24 1 1 X 71 71 ASN HA H 64 5.077 5.067 0.010 1
1 792 . 24 1 1 X 71 71 ASN CA C 64 50.877 50.587 0.290 1
1 793 . 24 1 1 X 71 71 ASN CB C 64 39.243 39.479 -0.236 1
1 795 . 24 1 1 X 71 71 ASN N N 64 116.008 121.361 -5.353 1
1 797 . 24 1 1 X 72 72 PRO HA H 65 4.468 4.532 -0.064 1
1 804 . 24 1 1 X 72 72 PRO CA C 65 64.454 63.760 0.694 1
1 805 . 24 1 1 X 72 72 PRO CB C 65 32.007 32.089 -0.082 1
1 808 . 24 1 1 X 73 73 GLY H H 66 8.608 7.580 1.028 1
1 809 . 24 1 1 X 73 73 GLY HA2 H 66 3.978 4.068 -0.090 1
1 810 . 24 1 1 X 73 73 GLY HA3 H 66 3.978 4.069 -0.091 1
1 811 . 24 1 1 X 73 73 GLY C C 66 175.054 173.982 1.072 1
1 812 . 24 1 1 X 73 73 GLY CA C 66 45.521 44.031 1.490 1
1 813 . 24 1 1 X 73 73 GLY N N 66 109.435 108.411 1.024 1
1 814 . 24 1 1 X 74 74 GLY H H 67 8.085 8.520 -0.435 1
1 815 . 24 1 1 X 74 74 GLY HA2 H 67 4.132 3.872 0.260 1
1 816 . 24 1 1 X 74 74 GLY HA3 H 67 3.896 3.873 0.023 1
1 817 . 24 1 1 X 74 74 GLY C C 67 174.008 175.232 -1.224 1
1 818 . 24 1 1 X 74 74 GLY CA C 67 45.450 46.978 -1.528 1
1 819 . 24 1 1 X 74 74 GLY N N 67 108.472 108.007 0.465 1
1 820 . 24 1 1 X 75 75 ASP H H 68 8.307 8.727 -0.420 1
1 821 . 24 1 1 X 75 75 ASP HA H 68 4.646 4.411 0.235 1
1 824 . 24 1 1 X 75 75 ASP C C 68 176.933 177.078 -0.145 1
1 825 . 24 1 1 X 75 75 ASP CA C 68 54.226 56.014 -1.788 1
1 826 . 24 1 1 X 75 75 ASP CB C 68 41.486 41.251 0.235 1
1 827 . 24 1 1 X 75 75 ASP N N 68 119.941 126.260 -6.319 1
1 828 . 24 1 1 X 76 76 GLY H H 69 8.502 7.873 0.629 1
1 829 . 24 1 1 X 76 76 GLY HA2 H 69 3.966 3.993 -0.027 1
1 830 . 24 1 1 X 76 76 GLY HA3 H 69 3.951 3.997 -0.046 1
1 831 . 24 1 1 X 76 76 GLY C C 69 174.771 174.074 0.697 1
1 832 . 24 1 1 X 76 76 GLY CA C 69 45.744 46.364 -0.620 1
1 833 . 24 1 1 X 76 76 GLY N N 69 109.061 106.597 2.464 1
1 834 . 24 1 1 X 77 77 GLY H H 70 8.367 8.429 -0.062 1
1 835 . 24 1 1 X 77 77 GLY HA2 H 70 4.092 4.207 -0.115 1
1 836 . 24 1 1 X 77 77 GLY HA3 H 70 3.920 4.211 -0.291 1
1 837 . 24 1 1 X 77 77 GLY C C 70 174.782 173.385 1.397 1
1 838 . 24 1 1 X 77 77 GLY CA C 70 45.327 44.889 0.438 1
1 839 . 24 1 1 X 77 77 GLY N N 70 108.393 111.321 -2.928 1
1 840 . 24 1 1 X 78 78 GLY H H 71 8.263 8.369 -0.106 1
1 841 . 24 1 1 X 78 78 GLY HA2 H 71 4.205 4.203 0.002 1
1 842 . 24 1 1 X 78 78 GLY HA3 H 71 4.092 4.220 -0.128 1
1 843 . 24 1 1 X 78 78 GLY CA C 71 45.581 45.266 0.315 1
1 844 . 24 1 1 X 78 78 GLY N N 71 108.388 110.869 -2.481 1
1 845 . 24 1 1 X 79 79 PRO HA H 72 4.199 4.247 -0.048 1
1 852 . 24 1 1 X 79 79 PRO C C 72 178.000 177.940 0.060 1
1 853 . 24 1 1 X 79 79 PRO CA C 72 65.568 65.091 0.477 1
1 854 . 24 1 1 X 79 79 PRO CB C 72 32.864 31.855 1.009 1
1 857 . 24 1 1 X 80 80 GLU H H 73 9.283 8.428 0.855 1
1 858 . 24 1 1 X 80 80 GLU HA H 73 3.833 4.164 -0.331 1
1 863 . 24 1 1 X 80 80 GLU C C 73 179.587 177.761 1.826 1
1 864 . 24 1 1 X 80 80 GLU CA C 73 61.125 58.131 2.994 1
1 865 . 24 1 1 X 80 80 GLU CB C 73 28.576 29.148 -0.572 1
1 867 . 24 1 1 X 80 80 GLU N N 73 117.078 117.090 -0.012 1
1 868 . 24 1 1 X 81 81 GLY H H 74 7.926 7.849 0.077 1
1 869 . 24 1 1 X 81 81 GLY HA2 H 74 3.964 3.868 0.096 1
1 870 . 24 1 1 X 81 81 GLY HA3 H 74 3.914 3.882 0.032 1
1 871 . 24 1 1 X 81 81 GLY C C 74 176.538 176.209 0.329 1
1 872 . 24 1 1 X 81 81 GLY CA C 74 47.084 46.591 0.493 1
1 873 . 24 1 1 X 81 81 GLY N N 74 108.577 108.270 0.307 1
1 874 . 24 1 1 X 82 82 ILE H H 75 7.593 8.172 -0.579 1
1 875 . 24 1 1 X 82 82 ILE HA H 75 3.873 4.065 -0.192 1
1 885 . 24 1 1 X 82 82 ILE C C 75 178.147 178.062 0.085 1
1 886 . 24 1 1 X 82 82 ILE CA C 75 65.342 64.766 0.576 1
1 887 . 24 1 1 X 82 82 ILE CB C 75 38.163 37.374 0.789 1
1 891 . 24 1 1 X 82 82 ILE N N 75 123.572 120.195 3.377 1
1 892 . 24 1 1 X 83 83 VAL H H 76 8.135 7.694 0.441 1
1 893 . 24 1 1 X 83 83 VAL HA H 76 3.575 4.205 -0.630 1
1 901 . 24 1 1 X 83 83 VAL C C 76 177.094 178.228 -1.134 1
1 902 . 24 1 1 X 83 83 VAL CA C 76 68.153 65.715 2.438 1
1 903 . 24 1 1 X 83 83 VAL CB C 76 31.653 31.575 0.078 1
1 906 . 24 1 1 X 83 83 VAL N N 76 118.553 121.691 -3.138 1
1 907 . 24 1 1 X 84 84 LYS H H 77 7.803 8.173 -0.370 1
1 908 . 24 1 1 X 84 84 LYS HA H 77 4.006 4.091 -0.085 1
1 917 . 24 1 1 X 84 84 LYS C C 77 178.064 178.535 -0.471 1
1 918 . 24 1 1 X 84 84 LYS CA C 77 60.516 59.047 1.469 1
1 919 . 24 1 1 X 84 84 LYS CB C 77 32.849 32.000 0.849 1
1 923 . 24 1 1 X 84 84 LYS N N 77 119.572 121.083 -1.511 1
1 924 . 24 1 1 X 85 85 GLU H H 78 7.629 8.246 -0.617 1
1 925 . 24 1 1 X 85 85 GLU HA H 78 4.246 4.116 0.130 1
1 930 . 24 1 1 X 85 85 GLU C C 78 179.834 179.444 0.390 1
1 931 . 24 1 1 X 85 85 GLU CA C 78 59.752 59.101 0.651 1
1 932 . 24 1 1 X 85 85 GLU CB C 78 29.189 29.717 -0.528 1
1 934 . 24 1 1 X 85 85 GLU N N 78 118.366 119.281 -0.915 1
1 935 . 24 1 1 X 86 86 ILE H H 79 8.432 8.188 0.244 1
1 936 . 24 1 1 X 86 86 ILE HA H 79 3.781 3.573 0.208 1
1 946 . 24 1 1 X 86 86 ILE C C 79 177.578 178.164 -0.586 1
1 947 . 24 1 1 X 86 86 ILE CA C 79 65.454 65.399 0.055 1
1 948 . 24 1 1 X 86 86 ILE CB C 79 37.940 37.597 0.343 1
1 952 . 24 1 1 X 86 86 ILE N N 79 118.975 120.923 -1.948 1
1 953 . 24 1 1 X 87 87 LYS H H 80 9.096 8.488 0.608 1
1 954 . 24 1 1 X 87 87 LYS HA H 80 3.958 3.841 0.117 1
1 963 . 24 1 1 X 87 87 LYS C C 80 180.285 178.638 1.647 1
1 964 . 24 1 1 X 87 87 LYS CA C 80 60.290 59.025 1.265 1
1 965 . 24 1 1 X 87 87 LYS CB C 80 33.299 31.998 1.301 1
1 969 . 24 1 1 X 87 87 LYS N N 80 119.805 120.566 -0.761 1
1 970 . 24 1 1 X 88 88 GLU H H 81 8.508 7.863 0.645 1
1 971 . 24 1 1 X 88 88 GLU HA H 81 4.099 4.085 0.014 1
1 976 . 24 1 1 X 88 88 GLU C C 81 179.195 179.011 0.184 1
1 977 . 24 1 1 X 88 88 GLU CA C 81 59.632 59.332 0.300 1
1 978 . 24 1 1 X 88 88 GLU CB C 81 29.649 29.329 0.320 1
1 980 . 24 1 1 X 88 88 GLU N N 81 118.920 119.245 -0.325 1
1 981 . 24 1 1 X 89 89 TRP H H 82 8.682 8.098 0.584 1
1 982 . 24 1 1 X 89 89 TRP HA H 82 4.201 4.278 -0.077 1
1 991 . 24 1 1 X 89 89 TRP C C 82 179.807 178.029 1.778 1
1 992 . 24 1 1 X 89 89 TRP CA C 82 63.110 60.709 2.401 1
1 993 . 24 1 1 X 89 89 TRP CB C 82 29.285 29.984 -0.699 1
1 999 . 24 1 1 X 89 89 TRP N N 82 122.152 122.114 0.038 1
1 1001 . 24 1 1 X 90 90 ARG H H 83 9.025 8.740 0.285 1
1 1002 . 24 1 1 X 90 90 ARG HA H 83 3.295 3.897 -0.602 1
1 1009 . 24 1 1 X 90 90 ARG C C 83 178.120 177.938 0.182 1
1 1010 . 24 1 1 X 90 90 ARG CA C 83 60.895 59.709 1.186 1
1 1011 . 24 1 1 X 90 90 ARG CB C 83 28.668 29.626 -0.958 1
1 1014 . 24 1 1 X 90 90 ARG N N 83 118.380 119.296 -0.916 1
1 1015 . 24 1 1 X 91 91 ALA H H 84 7.759 8.255 -0.496 1
1 1016 . 24 1 1 X 91 91 ALA HA H 84 4.151 4.074 0.077 1
1 1020 . 24 1 1 X 91 91 ALA C C 84 181.466 180.108 1.358 1
1 1021 . 24 1 1 X 91 91 ALA CA C 84 55.217 54.897 0.320 1
1 1022 . 24 1 1 X 91 91 ALA CB C 84 18.175 18.107 0.068 1
1 1023 . 24 1 1 X 91 91 ALA N N 84 120.210 120.577 -0.367 1
1 1024 . 24 1 1 X 92 92 ALA H H 85 7.943 8.097 -0.154 1
1 1025 . 24 1 1 X 92 92 ALA HA H 85 4.081 3.961 0.120 1
1 1029 . 24 1 1 X 92 92 ALA C C 85 178.324 178.964 -0.640 1
1 1030 . 24 1 1 X 92 92 ALA CA C 85 54.244 55.146 -0.902 1
1 1031 . 24 1 1 X 92 92 ALA CB C 85 18.306 18.235 0.071 1
1 1032 . 24 1 1 X 92 92 ALA N N 85 120.470 120.671 -0.201 1
1 1033 . 24 1 1 X 93 93 ASN H H 86 7.005 7.939 -0.934 1
1 1034 . 24 1 1 X 93 93 ASN HA H 86 4.475 4.412 0.063 1
1 1039 . 24 1 1 X 93 93 ASN C C 86 174.108 175.311 -1.203 1
1 1040 . 24 1 1 X 93 93 ASN CA C 86 53.347 53.432 -0.085 1
1 1041 . 24 1 1 X 93 93 ASN CB C 86 39.379 38.522 0.857 1
1 1043 . 24 1 1 X 93 93 ASN N N 86 113.372 114.177 -0.805 1
1 1045 . 24 1 1 X 94 94 GLY H H 87 7.535 8.070 -0.535 1
1 1046 . 24 1 1 X 94 94 GLY HA2 H 87 3.810 3.939 -0.129 1
1 1047 . 24 1 1 X 94 94 GLY HA3 H 87 3.810 3.942 -0.132 1
1 1048 . 24 1 1 X 94 94 GLY C C 87 174.481 173.976 0.505 1
1 1049 . 24 1 1 X 94 94 GLY CA C 87 47.230 45.326 1.904 1
1 1050 . 24 1 1 X 94 94 GLY N N 87 108.152 106.926 1.226 1
1 1051 . 24 1 1 X 95 95 LYS H H 88 8.037 8.139 -0.102 1
1 1052 . 24 1 1 X 95 95 LYS HA H 88 4.654 4.680 -0.026 1
1 1061 . 24 1 1 X 95 95 LYS CA C 88 53.357 53.096 0.261 1
1 1062 . 24 1 1 X 95 95 LYS CB C 88 32.741 32.526 0.215 1
1 1066 . 24 1 1 X 95 95 LYS N N 88 119.147 120.294 -1.147 1
1 1067 . 24 1 1 X 96 96 PRO HA H 89 4.275 4.415 -0.140 1
1 1074 . 24 1 1 X 96 96 PRO C C 89 176.696 177.314 -0.618 1
1 1075 . 24 1 1 X 96 96 PRO CA C 89 63.482 63.300 0.182 1
1 1076 . 24 1 1 X 96 96 PRO CB C 89 32.981 32.052 0.929 1
1 1079 . 24 1 1 X 97 97 GLY H H 90 8.336 8.412 -0.076 1
1 1080 . 24 1 1 X 97 97 GLY HA2 H 90 4.074 3.754 0.320 1
1 1081 . 24 1 1 X 97 97 GLY HA3 H 90 3.615 3.865 -0.250 1
1 1082 . 24 1 1 X 97 97 GLY C C 90 173.388 173.510 -0.122 1
1 1083 . 24 1 1 X 97 97 GLY CA C 90 43.347 43.955 -0.608 1
1 1084 . 24 1 1 X 97 97 GLY N N 90 110.343 107.448 2.895 1
1 1085 . 24 1 1 X 98 98 PHE H H 91 7.749 8.043 -0.294 1
1 1086 . 24 1 1 X 98 98 PHE HA H 91 4.527 4.726 -0.199 1
1 1094 . 24 1 1 X 98 98 PHE C C 91 177.021 175.499 1.522 1
1 1095 . 24 1 1 X 98 98 PHE CA C 91 59.184 58.254 0.930 1
1 1096 . 24 1 1 X 98 98 PHE CB C 91 40.005 39.648 0.357 1
1 1102 . 24 1 1 X 98 98 PHE N N 91 116.151 119.249 -3.098 1
1 1103 . 24 1 1 X 99 99 LYS H H 92 8.531 9.032 -0.501 1
1 1104 . 24 1 1 X 99 99 LYS HA H 92 4.178 4.899 -0.721 1
1 1113 . 24 1 1 X 99 99 LYS C C 92 176.542 175.639 0.903 1
1 1114 . 24 1 1 X 99 99 LYS CA C 92 57.292 55.117 2.175 1
1 1115 . 24 1 1 X 99 99 LYS CB C 92 32.875 34.236 -1.361 1
1 1119 . 24 1 1 X 99 99 LYS N N 92 123.602 119.179 4.423 1
1 1120 . 24 1 1 X 100 100 GLN H H 93 8.633 8.433 0.200 1
1 1121 . 24 1 1 X 100 100 GLN HA H 93 4.297 5.167 -0.870 1
1 1128 . 24 1 1 X 100 100 GLN C C 93 175.318 175.125 0.193 1
1 1129 . 24 1 1 X 100 100 GLN CA C 93 56.479 54.287 2.192 1
1 1130 . 24 1 1 X 100 100 GLN CB C 93 29.751 31.635 -1.884 1
1 1133 . 24 1 1 X 100 100 GLN N N 93 125.089 119.499 5.590 1
1 12 . 25 1 1 X 10 10 LEU H H 3 8.121 8.566 -0.445 1
1 13 . 25 1 1 X 10 10 LEU HA H 3 4.240 5.705 -1.465 1
1 23 . 25 1 1 X 10 10 LEU C C 3 176.909 175.815 1.094 1
1 24 . 25 1 1 X 10 10 LEU CA C 3 54.748 53.395 1.353 1
1 25 . 25 1 1 X 10 10 LEU CB C 3 41.272 44.850 -3.578 1
1 29 . 25 1 1 X 10 10 LEU N N 3 123.688 121.536 2.152 1
1 30 . 25 1 1 X 11 11 LYS H H 4 7.677 8.701 -1.024 1
1 31 . 25 1 1 X 11 11 LYS HA H 4 4.404 4.724 -0.320 1
1 40 . 25 1 1 X 11 11 LYS C C 4 176.184 177.270 -1.086 1
1 41 . 25 1 1 X 11 11 LYS CA C 4 55.828 54.314 1.514 1
1 42 . 25 1 1 X 11 11 LYS CB C 4 33.482 34.733 -1.251 1
1 46 . 25 1 1 X 11 11 LYS N N 4 122.221 122.712 -0.491 1
1 47 . 25 1 1 X 12 12 ASN H H 5 8.538 8.666 -0.128 1
1 48 . 25 1 1 X 12 12 ASN HA H 5 4.685 4.949 -0.264 1
1 53 . 25 1 1 X 12 12 ASN C C 5 174.925 175.040 -0.115 1
1 54 . 25 1 1 X 12 12 ASN CA C 5 55.721 53.149 2.572 1
1 55 . 25 1 1 X 12 12 ASN CB C 5 40.409 39.929 0.480 1
1 57 . 25 1 1 X 12 12 ASN N N 5 116.610 118.075 -1.465 1
1 59 . 25 1 1 X 13 13 SER H H 6 8.144 7.721 0.423 1
1 60 . 25 1 1 X 13 13 SER HA H 6 4.819 4.862 -0.043 1
1 63 . 25 1 1 X 13 13 SER C C 6 175.123 175.185 -0.062 1
1 64 . 25 1 1 X 13 13 SER CA C 6 56.778 55.519 1.259 1
1 65 . 25 1 1 X 13 13 SER CB C 6 65.949 67.118 -1.169 1
1 66 . 25 1 1 X 13 13 SER N N 6 112.138 110.995 1.143 1
1 67 . 25 1 1 X 14 14 ILE H H 7 9.318 8.819 0.499 1
1 68 . 25 1 1 X 14 14 ILE HA H 7 3.966 4.355 -0.389 1
1 78 . 25 1 1 X 14 14 ILE C C 7 175.537 178.244 -2.707 1
1 79 . 25 1 1 X 14 14 ILE CA C 7 64.956 63.843 1.113 1
1 80 . 25 1 1 X 14 14 ILE CB C 7 37.062 38.172 -1.110 1
1 84 . 25 1 1 X 14 14 ILE N N 7 126.034 124.722 1.312 1
1 85 . 25 1 1 X 15 15 SER H H 8 7.504 8.317 -0.813 1
1 86 . 25 1 1 X 15 15 SER HA H 8 4.694 4.360 0.334 1
1 89 . 25 1 1 X 15 15 SER C C 8 174.278 174.876 -0.598 1
1 90 . 25 1 1 X 15 15 SER CA C 8 59.481 61.187 -1.706 1
1 91 . 25 1 1 X 15 15 SER CB C 8 63.241 63.401 -0.160 1
1 92 . 25 1 1 X 15 15 SER N N 8 112.517 117.834 -5.317 1
1 93 . 25 1 1 X 16 16 ASP H H 9 7.783 7.705 0.078 1
1 94 . 25 1 1 X 16 16 ASP HA H 9 4.791 4.732 0.059 1
1 97 . 25 1 1 X 16 16 ASP C C 9 175.976 175.918 0.058 1
1 98 . 25 1 1 X 16 16 ASP CA C 9 55.243 53.550 1.693 1
1 99 . 25 1 1 X 16 16 ASP CB C 9 43.327 40.991 2.336 1
1 100 . 25 1 1 X 16 16 ASP N N 9 117.795 119.748 -1.953 1
1 101 . 25 1 1 X 17 17 TYR H H 10 8.279 7.891 0.388 1
1 102 . 25 1 1 X 17 17 TYR HA H 10 4.962 4.984 -0.022 1
1 109 . 25 1 1 X 17 17 TYR C C 10 177.535 176.264 1.271 1
1 110 . 25 1 1 X 17 17 TYR CA C 10 58.573 57.593 0.980 1
1 111 . 25 1 1 X 17 17 TYR CB C 10 41.015 39.527 1.488 1
1 116 . 25 1 1 X 17 17 TYR N N 10 120.484 118.918 1.566 1
1 117 . 25 1 1 X 18 18 THR H H 11 8.796 8.836 -0.040 1
1 118 . 25 1 1 X 18 18 THR HA H 11 5.040 5.234 -0.194 1
1 123 . 25 1 1 X 18 18 THR C C 11 176.099 176.036 0.063 1
1 124 . 25 1 1 X 18 18 THR CA C 11 60.775 60.691 0.084 1
1 125 . 25 1 1 X 18 18 THR CB C 11 71.041 70.757 0.284 1
1 127 . 25 1 1 X 18 18 THR N N 11 112.143 117.359 -5.216 1
1 128 . 25 1 1 X 19 19 GLU H H 12 9.173 9.011 0.162 1
1 129 . 25 1 1 X 19 19 GLU HA H 12 2.757 3.421 -0.664 1
1 134 . 25 1 1 X 19 19 GLU C C 12 178.378 178.712 -0.334 1
1 135 . 25 1 1 X 19 19 GLU CA C 12 60.906 58.855 2.051 1
1 136 . 25 1 1 X 19 19 GLU CB C 12 29.442 28.735 0.707 1
1 138 . 25 1 1 X 19 19 GLU N N 12 122.386 121.180 1.206 1
1 139 . 25 1 1 X 20 20 ALA H H 13 8.356 8.089 0.267 1
1 140 . 25 1 1 X 20 20 ALA HA H 13 4.069 4.119 -0.050 1
1 144 . 25 1 1 X 20 20 ALA C C 13 181.816 179.491 2.325 1
1 145 . 25 1 1 X 20 20 ALA CA C 13 55.388 54.977 0.411 1
1 146 . 25 1 1 X 20 20 ALA CB C 13 18.308 18.518 -0.210 1
1 147 . 25 1 1 X 20 20 ALA N N 13 118.695 122.324 -3.629 1
1 148 . 25 1 1 X 21 21 GLU H H 14 8.013 8.235 -0.222 1
1 149 . 25 1 1 X 21 21 GLU HA H 14 4.131 4.113 0.018 1
1 154 . 25 1 1 X 21 21 GLU C C 14 179.649 179.361 0.288 1
1 155 . 25 1 1 X 21 21 GLU CA C 14 58.916 59.267 -0.351 1
1 156 . 25 1 1 X 21 21 GLU CB C 14 31.632 29.717 1.915 1
1 158 . 25 1 1 X 21 21 GLU N N 14 118.978 119.237 -0.259 1
1 159 . 25 1 1 X 22 22 PHE H H 15 8.635 8.465 0.170 1
1 160 . 25 1 1 X 22 22 PHE HA H 15 4.049 4.035 0.014 1
1 167 . 25 1 1 X 22 22 PHE C C 15 177.402 177.511 -0.109 1
1 168 . 25 1 1 X 22 22 PHE CA C 15 62.183 61.325 0.858 1
1 169 . 25 1 1 X 22 22 PHE CB C 15 40.545 38.986 1.559 1
1 174 . 25 1 1 X 22 22 PHE N N 15 124.639 120.963 3.676 1
1 175 . 25 1 1 X 23 23 VAL H H 16 8.647 8.562 0.085 1
1 176 . 25 1 1 X 23 23 VAL HA H 16 3.416 3.720 -0.304 1
1 184 . 25 1 1 X 23 23 VAL C C 16 177.798 177.772 0.026 1
1 185 . 25 1 1 X 23 23 VAL CA C 16 67.917 66.156 1.761 1
1 186 . 25 1 1 X 23 23 VAL CB C 16 31.579 31.471 0.108 1
1 189 . 25 1 1 X 23 23 VAL N N 16 119.817 118.863 0.954 1
1 190 . 25 1 1 X 24 24 GLN H H 17 7.569 8.532 -0.963 1
1 191 . 25 1 1 X 24 24 GLN HA H 17 3.943 4.014 -0.071 1
1 198 . 25 1 1 X 24 24 GLN C C 17 178.313 178.158 0.155 1
1 199 . 25 1 1 X 24 24 GLN CA C 17 59.289 58.310 0.979 1
1 200 . 25 1 1 X 24 24 GLN CB C 17 27.814 27.644 0.170 1
1 203 . 25 1 1 X 24 24 GLN N N 17 117.658 120.408 -2.750 1
1 205 . 25 1 1 X 25 25 LEU H H 18 7.512 7.372 0.140 1
1 206 . 25 1 1 X 25 25 LEU HA H 18 4.136 4.040 0.096 1
1 216 . 25 1 1 X 25 25 LEU C C 18 178.440 178.152 0.288 1
1 217 . 25 1 1 X 25 25 LEU CA C 18 58.651 57.904 0.747 1
1 218 . 25 1 1 X 25 25 LEU CB C 18 40.626 41.665 -1.039 1
1 222 . 25 1 1 X 25 25 LEU N N 18 122.037 122.257 -0.220 1
1 223 . 25 1 1 X 26 26 LEU H H 19 7.761 8.196 -0.435 1
1 224 . 25 1 1 X 26 26 LEU HA H 19 3.748 3.584 0.164 1
1 234 . 25 1 1 X 26 26 LEU C C 19 180.080 179.032 1.048 1
1 235 . 25 1 1 X 26 26 LEU CA C 19 58.041 57.390 0.651 1
1 236 . 25 1 1 X 26 26 LEU CB C 19 41.009 41.169 -0.160 1
1 240 . 25 1 1 X 26 26 LEU N N 19 118.502 117.512 0.990 1
1 241 . 25 1 1 X 27 27 LYS H H 20 8.357 8.228 0.129 1
1 242 . 25 1 1 X 27 27 LYS HA H 20 4.019 4.038 -0.019 1
1 251 . 25 1 1 X 27 27 LYS C C 20 179.559 179.673 -0.114 1
1 252 . 25 1 1 X 27 27 LYS CA C 20 59.648 59.892 -0.244 1
1 253 . 25 1 1 X 27 27 LYS CB C 20 31.995 32.001 -0.006 1
1 257 . 25 1 1 X 27 27 LYS N N 20 120.427 118.343 2.084 1
1 258 . 25 1 1 X 28 28 GLU H H 21 8.123 7.549 0.574 1
1 259 . 25 1 1 X 28 28 GLU HA H 21 4.082 4.018 0.064 1
1 264 . 25 1 1 X 28 28 GLU C C 21 179.063 179.457 -0.394 1
1 265 . 25 1 1 X 28 28 GLU CA C 21 59.406 59.130 0.276 1
1 266 . 25 1 1 X 28 28 GLU CB C 21 29.146 29.257 -0.111 1
1 268 . 25 1 1 X 28 28 GLU N N 21 122.374 119.884 2.490 1
1 269 . 25 1 1 X 29 29 ILE H H 22 8.049 7.824 0.225 1
1 270 . 25 1 1 X 29 29 ILE HA H 22 3.343 3.595 -0.252 1
1 280 . 25 1 1 X 29 29 ILE C C 22 177.151 177.589 -0.438 1
1 281 . 25 1 1 X 29 29 ILE CA C 22 66.435 65.243 1.192 1
1 282 . 25 1 1 X 29 29 ILE CB C 22 37.954 37.102 0.852 1
1 286 . 25 1 1 X 29 29 ILE N N 22 120.195 121.280 -1.085 1
1 287 . 25 1 1 X 30 30 GLU H H 23 7.820 8.272 -0.452 1
1 288 . 25 1 1 X 30 30 GLU HA H 23 3.983 3.757 0.226 1
1 293 . 25 1 1 X 30 30 GLU C C 23 178.990 179.116 -0.126 1
1 294 . 25 1 1 X 30 30 GLU CA C 23 59.460 59.831 -0.371 1
1 295 . 25 1 1 X 30 30 GLU CB C 23 30.012 29.339 0.673 1
1 297 . 25 1 1 X 30 30 GLU N N 23 118.917 119.039 -0.122 1
1 298 . 25 1 1 X 31 31 LYS H H 24 7.678 7.661 0.017 1
1 299 . 25 1 1 X 31 31 LYS HA H 24 4.059 3.931 0.128 1
1 308 . 25 1 1 X 31 31 LYS C C 24 179.231 178.937 0.294 1
1 309 . 25 1 1 X 31 31 LYS CA C 24 59.152 59.732 -0.580 1
1 310 . 25 1 1 X 31 31 LYS CB C 24 32.712 32.448 0.264 1
1 314 . 25 1 1 X 31 31 LYS N N 24 118.807 119.820 -1.013 1
1 315 . 25 1 1 X 32 32 GLU H H 25 8.182 7.729 0.453 1
1 316 . 25 1 1 X 32 32 GLU HA H 25 4.309 4.065 0.244 1
1 321 . 25 1 1 X 32 32 GLU C C 25 177.897 179.318 -1.421 1
1 322 . 25 1 1 X 32 32 GLU CA C 25 57.449 59.456 -2.007 1
1 323 . 25 1 1 X 32 32 GLU CB C 25 29.522 28.693 0.829 1
1 325 . 25 1 1 X 32 32 GLU N N 25 118.578 119.676 -1.098 1
1 326 . 25 1 1 X 33 33 ASN H H 26 8.343 8.137 0.206 1
1 327 . 25 1 1 X 33 33 ASN HA H 26 4.608 4.403 0.205 1
1 330 . 25 1 1 X 33 33 ASN C C 26 176.524 177.782 -1.258 1
1 331 . 25 1 1 X 33 33 ASN CA C 26 55.463 56.085 -0.622 1
1 332 . 25 1 1 X 33 33 ASN CB C 26 39.074 38.616 0.458 1
1 333 . 25 1 1 X 33 33 ASN N N 26 118.483 118.425 0.058 1
1 334 . 25 1 1 X 34 34 VAL H H 27 7.434 8.539 -1.105 1
1 335 . 25 1 1 X 34 34 VAL HA H 27 4.182 3.514 0.668 1
1 343 . 25 1 1 X 34 34 VAL C C 27 176.315 177.177 -0.862 1
1 344 . 25 1 1 X 34 34 VAL CA C 27 62.829 66.276 -3.447 1
1 345 . 25 1 1 X 34 34 VAL CB C 27 32.178 31.440 0.738 1
1 348 . 25 1 1 X 34 34 VAL N N 27 114.036 119.045 -5.009 1
1 349 . 25 1 1 X 35 35 ALA H H 28 7.648 7.215 0.433 1
1 350 . 25 1 1 X 35 35 ALA HA H 28 4.346 4.305 0.041 1
1 354 . 25 1 1 X 35 35 ALA C C 28 177.126 176.771 0.355 1
1 355 . 25 1 1 X 35 35 ALA CA C 28 52.712 52.007 0.705 1
1 356 . 25 1 1 X 35 35 ALA CB C 28 19.915 19.105 0.810 1
1 357 . 25 1 1 X 35 35 ALA N N 28 124.066 120.106 3.960 1
1 358 . 25 1 1 X 36 36 ALA H H 29 8.337 7.912 0.425 1
1 359 . 25 1 1 X 36 36 ALA HA H 29 4.260 3.920 0.340 1
1 363 . 25 1 1 X 36 36 ALA C C 29 177.999 176.071 1.928 1
1 364 . 25 1 1 X 36 36 ALA CA C 29 53.660 52.860 0.800 1
1 365 . 25 1 1 X 36 36 ALA CB C 29 19.175 17.405 1.770 1
1 366 . 25 1 1 X 36 36 ALA N N 29 121.695 119.910 1.785 1
1 367 . 25 1 1 X 37 37 THR H H 30 8.093 7.911 0.182 1
1 368 . 25 1 1 X 37 37 THR HA H 30 4.533 4.783 -0.250 1
1 373 . 25 1 1 X 37 37 THR C C 30 174.715 174.031 0.684 1
1 374 . 25 1 1 X 37 37 THR CA C 30 60.860 60.397 0.463 1
1 375 . 25 1 1 X 37 37 THR CB C 30 70.424 70.142 0.282 1
1 377 . 25 1 1 X 37 37 THR N N 30 110.112 107.325 2.787 1
1 378 . 25 1 1 X 38 38 ASP H H 31 8.488 8.817 -0.329 1
1 379 . 25 1 1 X 38 38 ASP HA H 31 4.685 4.737 -0.052 1
1 382 . 25 1 1 X 38 38 ASP C C 31 175.896 177.591 -1.695 1
1 383 . 25 1 1 X 38 38 ASP CA C 31 54.704 55.622 -0.918 1
1 384 . 25 1 1 X 38 38 ASP CB C 31 41.389 42.612 -1.223 1
1 385 . 25 1 1 X 38 38 ASP N N 31 121.899 121.175 0.724 1
1 386 . 25 1 1 X 39 39 ASP H H 32 8.368 8.858 -0.490 1
1 387 . 25 1 1 X 39 39 ASP HA H 32 4.459 4.309 0.150 1
1 390 . 25 1 1 X 39 39 ASP C C 32 177.499 178.162 -0.663 1
1 391 . 25 1 1 X 39 39 ASP CA C 32 56.443 57.468 -1.025 1
1 392 . 25 1 1 X 39 39 ASP CB C 32 40.737 40.891 -0.154 1
1 393 . 25 1 1 X 39 39 ASP N N 32 118.770 120.886 -2.116 1
1 394 . 25 1 1 X 40 40 VAL H H 33 7.963 7.671 0.292 1
1 395 . 25 1 1 X 40 40 VAL HA H 33 3.800 3.815 -0.015 1
1 403 . 25 1 1 X 40 40 VAL C C 33 177.362 177.615 -0.253 1
1 404 . 25 1 1 X 40 40 VAL CA C 33 64.970 66.145 -1.175 1
1 405 . 25 1 1 X 40 40 VAL CB C 33 32.256 31.382 0.874 1
1 408 . 25 1 1 X 40 40 VAL N N 33 119.409 118.929 0.480 1
1 409 . 25 1 1 X 41 41 LEU H H 34 8.508 8.047 0.461 1
1 410 . 25 1 1 X 41 41 LEU HA H 34 3.857 3.895 -0.038 1
1 420 . 25 1 1 X 41 41 LEU C C 34 177.633 178.003 -0.370 1
1 421 . 25 1 1 X 41 41 LEU CA C 34 58.428 58.484 -0.056 1
1 422 . 25 1 1 X 41 41 LEU CB C 34 41.755 41.245 0.510 1
1 426 . 25 1 1 X 41 41 LEU N N 34 122.150 120.976 1.174 1
1 427 . 25 1 1 X 42 42 ASP H H 35 8.236 8.770 -0.534 1
1 428 . 25 1 1 X 42 42 ASP HA H 35 4.370 4.406 -0.036 1
1 431 . 25 1 1 X 42 42 ASP C C 35 179.155 179.019 0.136 1
1 432 . 25 1 1 X 42 42 ASP CA C 35 57.925 57.105 0.820 1
1 433 . 25 1 1 X 42 42 ASP CB C 35 40.417 40.983 -0.566 1
1 434 . 25 1 1 X 42 42 ASP N N 35 116.374 118.560 -2.186 1
1 435 . 25 1 1 X 43 43 VAL H H 36 7.320 7.662 -0.342 1
1 436 . 25 1 1 X 43 43 VAL HA H 36 3.782 3.600 0.182 1
1 444 . 25 1 1 X 43 43 VAL C C 36 179.309 178.442 0.867 1
1 445 . 25 1 1 X 43 43 VAL CA C 36 66.080 66.709 -0.629 1
1 446 . 25 1 1 X 43 43 VAL CB C 36 32.245 31.448 0.797 1
1 449 . 25 1 1 X 43 43 VAL N N 36 119.754 120.246 -0.492 1
1 450 . 25 1 1 X 44 44 LEU H H 37 8.122 8.415 -0.293 1
1 451 . 25 1 1 X 44 44 LEU HA H 37 4.008 4.054 -0.046 1
1 461 . 25 1 1 X 44 44 LEU C C 37 179.518 179.340 0.178 1
1 462 . 25 1 1 X 44 44 LEU CA C 37 58.048 57.834 0.214 1
1 463 . 25 1 1 X 44 44 LEU CB C 37 42.374 41.732 0.642 1
1 467 . 25 1 1 X 44 44 LEU N N 37 120.608 118.922 1.686 1
1 468 . 25 1 1 X 45 45 LEU H H 38 8.898 8.410 0.488 1
1 469 . 25 1 1 X 45 45 LEU HA H 38 4.030 3.969 0.061 1
1 479 . 25 1 1 X 45 45 LEU C C 38 179.166 179.463 -0.297 1
1 480 . 25 1 1 X 45 45 LEU CA C 38 58.184 58.219 -0.035 1
1 481 . 25 1 1 X 45 45 LEU CB C 38 41.506 41.474 0.032 1
1 485 . 25 1 1 X 45 45 LEU N N 38 119.199 118.690 0.509 1
1 486 . 25 1 1 X 46 46 GLU H H 39 7.964 8.183 -0.219 1
1 487 . 25 1 1 X 46 46 GLU HA H 39 4.066 4.032 0.034 1
1 492 . 25 1 1 X 46 46 GLU C C 39 178.995 178.963 0.032 1
1 493 . 25 1 1 X 46 46 GLU CA C 39 59.769 59.676 0.093 1
1 494 . 25 1 1 X 46 46 GLU CB C 39 29.577 29.288 0.289 1
1 496 . 25 1 1 X 46 46 GLU N N 39 119.334 118.364 0.970 1
1 497 . 25 1 1 X 47 47 HIS H H 40 8.009 8.754 -0.745 1
1 498 . 25 1 1 X 47 47 HIS HA H 40 4.416 4.382 0.034 1
1 503 . 25 1 1 X 47 47 HIS C C 40 176.115 176.968 -0.853 1
1 504 . 25 1 1 X 47 47 HIS CA C 40 60.151 58.826 1.325 1
1 505 . 25 1 1 X 47 47 HIS CB C 40 30.389 30.554 -0.165 1
1 508 . 25 1 1 X 47 47 HIS N N 40 119.610 119.950 -0.340 1
1 509 . 25 1 1 X 48 48 PHE H H 41 8.711 8.486 0.225 1
1 510 . 25 1 1 X 48 48 PHE HA H 41 3.808 4.068 -0.260 1
1 518 . 25 1 1 X 48 48 PHE C C 41 178.023 177.289 0.734 1
1 519 . 25 1 1 X 48 48 PHE CA C 41 62.654 61.434 1.220 1
1 520 . 25 1 1 X 48 48 PHE CB C 41 39.408 39.249 0.159 1
1 526 . 25 1 1 X 48 48 PHE N N 41 118.110 120.204 -2.094 1
1 527 . 25 1 1 X 49 49 VAL H H 42 8.439 8.174 0.265 1
1 528 . 25 1 1 X 49 49 VAL HA H 42 3.359 3.753 -0.394 1
1 536 . 25 1 1 X 49 49 VAL C C 42 178.340 177.554 0.786 1
1 537 . 25 1 1 X 49 49 VAL CA C 42 67.276 64.352 2.924 1
1 538 . 25 1 1 X 49 49 VAL CB C 42 32.235 31.374 0.861 1
1 541 . 25 1 1 X 49 49 VAL N N 42 121.301 118.568 2.733 1
1 542 . 25 1 1 X 50 50 LYS H H 43 8.091 8.670 -0.579 1
1 543 . 25 1 1 X 50 50 LYS HA H 43 3.973 4.256 -0.283 1
1 552 . 25 1 1 X 50 50 LYS C C 43 178.985 178.188 0.797 1
1 553 . 25 1 1 X 50 50 LYS CA C 43 59.580 58.840 0.740 1
1 554 . 25 1 1 X 50 50 LYS CB C 43 32.784 31.748 1.036 1
1 558 . 25 1 1 X 50 50 LYS N N 43 120.887 119.885 1.002 1
1 559 . 25 1 1 X 51 51 ILE H H 44 8.347 7.366 0.981 1
1 560 . 25 1 1 X 51 51 ILE HA H 44 4.159 3.904 0.255 1
1 570 . 25 1 1 X 51 51 ILE C C 44 178.121 177.983 0.138 1
1 571 . 25 1 1 X 51 51 ILE CA C 44 62.328 64.040 -1.712 1
1 572 . 25 1 1 X 51 51 ILE CB C 44 37.576 37.671 -0.095 1
1 576 . 25 1 1 X 51 51 ILE N N 44 111.354 116.859 -5.505 1
1 577 . 25 1 1 X 52 52 THR H H 45 7.588 7.701 -0.113 1
1 578 . 25 1 1 X 52 52 THR HA H 45 3.683 4.138 -0.455 1
1 583 . 25 1 1 X 52 52 THR C C 45 176.285 175.054 1.231 1
1 584 . 25 1 1 X 52 52 THR CA C 45 65.803 63.182 2.621 1
1 585 . 25 1 1 X 52 52 THR CB C 45 69.689 69.863 -0.174 1
1 587 . 25 1 1 X 52 52 THR N N 45 109.646 112.844 -3.198 1
1 588 . 25 1 1 X 53 53 GLU H H 46 7.366 8.123 -0.757 1
1 589 . 25 1 1 X 53 53 GLU HA H 46 3.836 3.978 -0.142 1
1 594 . 25 1 1 X 53 53 GLU C C 46 173.418 174.569 -1.151 1
1 595 . 25 1 1 X 53 53 GLU CA C 46 57.709 57.491 0.218 1
1 596 . 25 1 1 X 53 53 GLU CB C 46 29.067 27.544 1.523 1
1 598 . 25 1 1 X 53 53 GLU N N 46 112.606 115.311 -2.705 1
1 599 . 25 1 1 X 54 54 HIS H H 47 7.127 7.182 -0.055 1
1 600 . 25 1 1 X 54 54 HIS HA H 47 3.070 3.505 -0.435 1
1 605 . 25 1 1 X 54 54 HIS CA C 47 55.826 54.672 1.154 1
1 606 . 25 1 1 X 54 54 HIS CB C 47 32.124 30.849 1.275 1
1 609 . 25 1 1 X 54 54 HIS N N 47 119.651 119.512 0.139 1
1 610 . 25 1 1 X 55 55 PRO HA H 48 4.143 4.342 -0.199 1
1 617 . 25 1 1 X 55 55 PRO CA C 48 64.843 63.905 0.938 1
1 618 . 25 1 1 X 55 55 PRO CB C 48 32.350 31.478 0.872 1
1 621 . 25 1 1 X 56 56 ASP H H 49 10.605 7.443 3.162 1
1 622 . 25 1 1 X 56 56 ASP HA H 49 4.712 5.046 -0.334 1
1 625 . 25 1 1 X 56 56 ASP C C 49 178.187 177.435 0.752 1
1 626 . 25 1 1 X 56 56 ASP CA C 49 54.989 53.678 1.311 1
1 627 . 25 1 1 X 56 56 ASP CB C 49 40.657 41.886 -1.229 1
1 628 . 25 1 1 X 56 56 ASP N N 49 121.022 118.026 2.996 1
1 629 . 25 1 1 X 57 57 GLY H H 50 8.011 8.068 -0.057 1
1 630 . 25 1 1 X 57 57 GLY HA2 H 50 4.122 3.880 0.242 1
1 631 . 25 1 1 X 57 57 GLY HA3 H 50 3.701 3.972 -0.271 1
1 632 . 25 1 1 X 57 57 GLY C C 50 175.337 175.830 -0.493 1
1 633 . 25 1 1 X 57 57 GLY CA C 50 47.435 47.452 -0.017 1
1 634 . 25 1 1 X 57 57 GLY N N 50 108.190 109.327 -1.137 1
1 635 . 25 1 1 X 58 58 THR H H 51 9.047 8.253 0.794 1
1 636 . 25 1 1 X 58 58 THR HA H 51 3.730 4.245 -0.515 1
1 641 . 25 1 1 X 58 58 THR C C 51 176.082 176.381 -0.299 1
1 642 . 25 1 1 X 58 58 THR CA C 51 64.795 65.263 -0.468 1
1 643 . 25 1 1 X 58 58 THR CB C 51 68.398 68.884 -0.486 1
1 645 . 25 1 1 X 58 58 THR N N 51 114.996 117.296 -2.300 1
1 646 . 25 1 1 X 59 59 ALA H H 52 8.142 8.137 0.005 1
1 647 . 25 1 1 X 59 59 ALA HA H 52 4.205 4.201 0.004 1
1 651 . 25 1 1 X 59 59 ALA C C 52 179.373 180.107 -0.734 1
1 652 . 25 1 1 X 59 59 ALA CA C 52 55.625 55.163 0.462 1
1 653 . 25 1 1 X 59 59 ALA CB C 52 18.416 18.361 0.055 1
1 654 . 25 1 1 X 59 59 ALA N N 52 125.565 123.641 1.924 1
1 655 . 25 1 1 X 60 60 LEU H H 53 7.399 8.332 -0.933 1
1 656 . 25 1 1 X 60 60 LEU HA H 53 3.835 4.007 -0.172 1
1 666 . 25 1 1 X 60 60 LEU C C 53 178.601 179.289 -0.688 1
1 667 . 25 1 1 X 60 60 LEU CA C 53 58.031 58.035 -0.004 1
1 668 . 25 1 1 X 60 60 LEU CB C 53 43.487 42.141 1.346 1
1 672 . 25 1 1 X 60 60 LEU N N 53 114.763 118.981 -4.218 1
1 673 . 25 1 1 X 61 61 ILE H H 54 6.855 7.567 -0.712 1
1 674 . 25 1 1 X 61 61 ILE HA H 54 3.518 3.433 0.085 1
1 684 . 25 1 1 X 61 61 ILE C C 54 178.595 177.878 0.717 1
1 685 . 25 1 1 X 61 61 ILE CA C 54 62.989 65.061 -2.072 1
1 686 . 25 1 1 X 61 61 ILE CB C 54 38.424 37.432 0.992 1
1 690 . 25 1 1 X 61 61 ILE N N 54 114.394 119.800 -5.406 1
1 691 . 25 1 1 X 62 62 TYR H H 55 7.489 8.036 -0.547 1
1 692 . 25 1 1 X 62 62 TYR HA H 55 4.243 4.343 -0.100 1
1 699 . 25 1 1 X 62 62 TYR C C 55 178.634 178.839 -0.205 1
1 700 . 25 1 1 X 62 62 TYR CA C 55 61.518 60.535 0.983 1
1 701 . 25 1 1 X 62 62 TYR CB C 55 37.566 37.873 -0.307 1
1 706 . 25 1 1 X 62 62 TYR N N 55 117.898 119.977 -2.079 1
1 707 . 25 1 1 X 63 63 GLU H H 56 8.659 8.816 -0.157 1
1 708 . 25 1 1 X 63 63 GLU HA H 56 4.441 4.130 0.311 1
1 713 . 25 1 1 X 63 63 GLU C C 56 177.785 178.813 -1.028 1
1 714 . 25 1 1 X 63 63 GLU CA C 56 57.658 59.419 -1.761 1
1 715 . 25 1 1 X 63 63 GLU CB C 56 29.034 29.106 -0.072 1
1 717 . 25 1 1 X 63 63 GLU N N 56 119.392 117.665 1.727 1
1 718 . 25 1 1 X 64 64 ALA H H 57 7.164 8.279 -1.115 1
1 719 . 25 1 1 X 64 64 ALA HA H 57 4.021 4.104 -0.083 1
1 723 . 25 1 1 X 64 64 ALA C C 57 180.327 180.288 0.039 1
1 724 . 25 1 1 X 64 64 ALA CA C 57 55.759 55.000 0.759 1
1 725 . 25 1 1 X 64 64 ALA CB C 57 18.615 17.806 0.809 1
1 726 . 25 1 1 X 64 64 ALA N N 57 121.778 122.306 -0.528 1
1 727 . 25 1 1 X 65 65 ALA H H 58 8.076 8.225 -0.149 1
1 728 . 25 1 1 X 65 65 ALA HA H 58 4.137 3.994 0.143 1
1 732 . 25 1 1 X 65 65 ALA C C 58 180.248 179.557 0.691 1
1 733 . 25 1 1 X 65 65 ALA CA C 58 55.104 55.005 0.099 1
1 734 . 25 1 1 X 65 65 ALA CB C 58 18.071 18.571 -0.500 1
1 735 . 25 1 1 X 65 65 ALA N N 58 120.307 119.513 0.794 1
1 736 . 25 1 1 X 66 66 ALA H H 59 7.893 7.587 0.306 1
1 737 . 25 1 1 X 66 66 ALA HA H 59 4.170 4.065 0.105 1
1 741 . 25 1 1 X 66 66 ALA C C 59 180.838 179.485 1.353 1
1 742 . 25 1 1 X 66 66 ALA CA C 59 54.800 55.054 -0.254 1
1 743 . 25 1 1 X 66 66 ALA CB C 59 18.184 18.248 -0.064 1
1 744 . 25 1 1 X 66 66 ALA N N 59 122.126 120.310 1.816 1
1 745 . 25 1 1 X 67 67 ARG H H 60 8.139 8.630 -0.491 1
1 746 . 25 1 1 X 67 67 ARG HA H 60 4.065 3.999 0.066 1
1 753 . 25 1 1 X 67 67 ARG C C 60 178.779 178.395 0.384 1
1 754 . 25 1 1 X 67 67 ARG CA C 60 59.282 59.688 -0.406 1
1 755 . 25 1 1 X 67 67 ARG CB C 60 30.863 29.953 0.910 1
1 758 . 25 1 1 X 67 67 ARG N N 60 118.948 117.979 0.969 1
1 759 . 25 1 1 X 68 68 ALA H H 61 7.891 8.021 -0.130 1
1 760 . 25 1 1 X 68 68 ALA HA H 61 4.141 4.160 -0.019 1
1 764 . 25 1 1 X 68 68 ALA C C 61 179.329 179.521 -0.192 1
1 765 . 25 1 1 X 68 68 ALA CA C 61 54.340 54.901 -0.561 1
1 766 . 25 1 1 X 68 68 ALA CB C 61 18.528 18.472 0.056 1
1 767 . 25 1 1 X 68 68 ALA N N 61 121.473 122.344 -0.871 1
1 768 . 25 1 1 X 69 69 ALA H H 62 7.663 8.086 -0.423 1
1 769 . 25 1 1 X 69 69 ALA HA H 62 4.133 4.085 0.048 1
1 773 . 25 1 1 X 69 69 ALA C C 62 178.591 177.797 0.794 1
1 774 . 25 1 1 X 69 69 ALA CA C 62 53.863 55.022 -1.159 1
1 775 . 25 1 1 X 69 69 ALA CB C 62 18.438 18.936 -0.498 1
1 776 . 25 1 1 X 69 69 ALA N N 62 118.937 119.366 -0.429 1
1 777 . 25 1 1 X 70 70 ALA H H 63 7.488 8.340 -0.852 1
1 778 . 25 1 1 X 70 70 ALA HA H 63 4.280 4.467 -0.187 1
1 782 . 25 1 1 X 70 70 ALA C C 63 177.318 176.207 1.111 1
1 783 . 25 1 1 X 70 70 ALA CA C 63 52.981 50.331 2.650 1
1 784 . 25 1 1 X 70 70 ALA CB C 63 19.324 18.908 0.416 1
1 785 . 25 1 1 X 70 70 ALA N N 63 118.642 118.852 -0.210 1
1 786 . 25 1 1 X 71 71 ASN H H 64 7.631 8.354 -0.723 1
1 787 . 25 1 1 X 71 71 ASN HA H 64 5.077 5.500 -0.423 1
1 792 . 25 1 1 X 71 71 ASN CA C 64 50.877 50.513 0.364 1
1 793 . 25 1 1 X 71 71 ASN CB C 64 39.243 39.347 -0.104 1
1 795 . 25 1 1 X 71 71 ASN N N 64 116.008 121.773 -5.765 1
1 797 . 25 1 1 X 72 72 PRO HA H 65 4.468 4.453 0.015 1
1 804 . 25 1 1 X 72 72 PRO CA C 65 64.454 65.143 -0.689 1
1 805 . 25 1 1 X 72 72 PRO CB C 65 32.007 32.085 -0.078 1
1 808 . 25 1 1 X 73 73 GLY H H 66 8.608 7.625 0.983 1
1 809 . 25 1 1 X 73 73 GLY HA2 H 66 3.978 4.093 -0.115 1
1 810 . 25 1 1 X 73 73 GLY HA3 H 66 3.978 4.096 -0.118 1
1 811 . 25 1 1 X 73 73 GLY C C 66 175.054 173.471 1.583 1
1 812 . 25 1 1 X 73 73 GLY CA C 66 45.521 45.041 0.480 1
1 813 . 25 1 1 X 73 73 GLY N N 66 109.435 101.049 8.386 1
1 814 . 25 1 1 X 74 74 GLY H H 67 8.085 9.021 -0.936 1
1 815 . 25 1 1 X 74 74 GLY HA2 H 67 4.132 3.910 0.222 1
1 816 . 25 1 1 X 74 74 GLY HA3 H 67 3.896 3.910 -0.014 1
1 817 . 25 1 1 X 74 74 GLY C C 67 174.008 174.464 -0.456 1
1 818 . 25 1 1 X 74 74 GLY CA C 67 45.450 46.638 -1.188 1
1 819 . 25 1 1 X 74 74 GLY N N 67 108.472 107.810 0.662 1
1 820 . 25 1 1 X 75 75 ASP H H 68 8.307 8.119 0.188 1
1 821 . 25 1 1 X 75 75 ASP HA H 68 4.646 4.718 -0.072 1
1 824 . 25 1 1 X 75 75 ASP C C 68 176.933 176.124 0.809 1
1 825 . 25 1 1 X 75 75 ASP CA C 68 54.226 53.648 0.578 1
1 826 . 25 1 1 X 75 75 ASP CB C 68 41.486 41.804 -0.318 1
1 827 . 25 1 1 X 75 75 ASP N N 68 119.941 118.891 1.050 1
1 828 . 25 1 1 X 76 76 GLY H H 69 8.502 7.933 0.569 1
1 829 . 25 1 1 X 76 76 GLY HA2 H 69 3.966 4.023 -0.057 1
1 830 . 25 1 1 X 76 76 GLY HA3 H 69 3.951 4.031 -0.080 1
1 831 . 25 1 1 X 76 76 GLY C C 69 174.771 174.624 0.147 1
1 832 . 25 1 1 X 76 76 GLY CA C 69 45.744 46.022 -0.278 1
1 833 . 25 1 1 X 76 76 GLY N N 69 109.061 105.906 3.155 1
1 834 . 25 1 1 X 77 77 GLY H H 70 8.367 8.251 0.116 1
1 835 . 25 1 1 X 77 77 GLY HA2 H 70 4.092 3.984 0.108 1
1 836 . 25 1 1 X 77 77 GLY HA3 H 70 3.920 3.986 -0.066 1
1 837 . 25 1 1 X 77 77 GLY C C 70 174.782 174.494 0.288 1
1 838 . 25 1 1 X 77 77 GLY CA C 70 45.327 46.586 -1.259 1
1 839 . 25 1 1 X 77 77 GLY N N 70 108.393 109.100 -0.707 1
1 840 . 25 1 1 X 78 78 GLY H H 71 8.263 7.999 0.264 1
1 841 . 25 1 1 X 78 78 GLY HA2 H 71 4.205 4.125 0.080 1
1 842 . 25 1 1 X 78 78 GLY HA3 H 71 4.092 4.134 -0.042 1
1 843 . 25 1 1 X 78 78 GLY CA C 71 45.581 44.628 0.953 1
1 844 . 25 1 1 X 78 78 GLY N N 71 108.388 111.489 -3.101 1
1 845 . 25 1 1 X 79 79 PRO HA H 72 4.199 4.301 -0.102 1
1 852 . 25 1 1 X 79 79 PRO C C 72 178.000 177.930 0.070 1
1 853 . 25 1 1 X 79 79 PRO CA C 72 65.568 64.888 0.680 1
1 854 . 25 1 1 X 79 79 PRO CB C 72 32.864 31.918 0.946 1
1 857 . 25 1 1 X 80 80 GLU H H 73 9.283 8.584 0.699 1
1 858 . 25 1 1 X 80 80 GLU HA H 73 3.833 4.189 -0.356 1
1 863 . 25 1 1 X 80 80 GLU C C 73 179.587 177.828 1.759 1
1 864 . 25 1 1 X 80 80 GLU CA C 73 61.125 58.334 2.791 1
1 865 . 25 1 1 X 80 80 GLU CB C 73 28.576 29.208 -0.632 1
1 867 . 25 1 1 X 80 80 GLU N N 73 117.078 116.991 0.087 1
1 868 . 25 1 1 X 81 81 GLY H H 74 7.926 7.911 0.015 1
1 869 . 25 1 1 X 81 81 GLY HA2 H 74 3.964 3.885 0.079 1
1 870 . 25 1 1 X 81 81 GLY HA3 H 74 3.914 3.901 0.013 1
1 871 . 25 1 1 X 81 81 GLY C C 74 176.538 176.310 0.228 1
1 872 . 25 1 1 X 81 81 GLY CA C 74 47.084 46.337 0.747 1
1 873 . 25 1 1 X 81 81 GLY N N 74 108.577 108.287 0.290 1
1 874 . 25 1 1 X 82 82 ILE H H 75 7.593 7.986 -0.393 1
1 875 . 25 1 1 X 82 82 ILE HA H 75 3.873 3.942 -0.069 1
1 885 . 25 1 1 X 82 82 ILE C C 75 178.147 178.208 -0.061 1
1 886 . 25 1 1 X 82 82 ILE CA C 75 65.342 64.735 0.607 1
1 887 . 25 1 1 X 82 82 ILE CB C 75 38.163 37.223 0.940 1
1 891 . 25 1 1 X 82 82 ILE N N 75 123.572 119.742 3.830 1
1 892 . 25 1 1 X 83 83 VAL H H 76 8.135 7.892 0.243 1
1 893 . 25 1 1 X 83 83 VAL HA H 76 3.575 4.214 -0.639 1
1 901 . 25 1 1 X 83 83 VAL C C 76 177.094 178.178 -1.084 1
1 902 . 25 1 1 X 83 83 VAL CA C 76 68.153 65.944 2.209 1
1 903 . 25 1 1 X 83 83 VAL CB C 76 31.653 31.574 0.079 1
1 906 . 25 1 1 X 83 83 VAL N N 76 118.553 119.272 -0.719 1
1 907 . 25 1 1 X 84 84 LYS H H 77 7.803 8.102 -0.299 1
1 908 . 25 1 1 X 84 84 LYS HA H 77 4.006 4.067 -0.061 1
1 917 . 25 1 1 X 84 84 LYS C C 77 178.064 178.783 -0.719 1
1 918 . 25 1 1 X 84 84 LYS CA C 77 60.516 59.337 1.179 1
1 919 . 25 1 1 X 84 84 LYS CB C 77 32.849 32.202 0.647 1
1 923 . 25 1 1 X 84 84 LYS N N 77 119.572 121.824 -2.252 1
1 924 . 25 1 1 X 85 85 GLU H H 78 7.629 7.832 -0.203 1
1 925 . 25 1 1 X 85 85 GLU HA H 78 4.246 4.111 0.135 1
1 930 . 25 1 1 X 85 85 GLU C C 78 179.834 179.347 0.487 1
1 931 . 25 1 1 X 85 85 GLU CA C 78 59.752 59.160 0.592 1
1 932 . 25 1 1 X 85 85 GLU CB C 78 29.189 29.468 -0.279 1
1 934 . 25 1 1 X 85 85 GLU N N 78 118.366 118.896 -0.530 1
1 935 . 25 1 1 X 86 86 ILE H H 79 8.432 8.161 0.271 1
1 936 . 25 1 1 X 86 86 ILE HA H 79 3.781 3.650 0.131 1
1 946 . 25 1 1 X 86 86 ILE C C 79 177.578 178.119 -0.541 1
1 947 . 25 1 1 X 86 86 ILE CA C 79 65.454 64.867 0.587 1
1 948 . 25 1 1 X 86 86 ILE CB C 79 37.940 38.002 -0.062 1
1 952 . 25 1 1 X 86 86 ILE N N 79 118.975 120.570 -1.595 1
1 953 . 25 1 1 X 87 87 LYS H H 80 9.096 8.392 0.704 1
1 954 . 25 1 1 X 87 87 LYS HA H 80 3.958 3.770 0.188 1
1 963 . 25 1 1 X 87 87 LYS C C 80 180.285 178.472 1.813 1
1 964 . 25 1 1 X 87 87 LYS CA C 80 60.290 59.028 1.262 1
1 965 . 25 1 1 X 87 87 LYS CB C 80 33.299 32.040 1.259 1
1 969 . 25 1 1 X 87 87 LYS N N 80 119.805 120.392 -0.587 1
1 970 . 25 1 1 X 88 88 GLU H H 81 8.508 8.238 0.270 1
1 971 . 25 1 1 X 88 88 GLU HA H 81 4.099 4.103 -0.004 1
1 976 . 25 1 1 X 88 88 GLU C C 81 179.195 178.870 0.325 1
1 977 . 25 1 1 X 88 88 GLU CA C 81 59.632 59.082 0.550 1
1 978 . 25 1 1 X 88 88 GLU CB C 81 29.649 29.526 0.123 1
1 980 . 25 1 1 X 88 88 GLU N N 81 118.920 119.289 -0.369 1
1 981 . 25 1 1 X 89 89 TRP H H 82 8.682 8.004 0.678 1
1 982 . 25 1 1 X 89 89 TRP HA H 82 4.201 4.308 -0.107 1
1 991 . 25 1 1 X 89 89 TRP C C 82 179.807 177.883 1.924 1
1 992 . 25 1 1 X 89 89 TRP CA C 82 63.110 60.668 2.442 1
1 993 . 25 1 1 X 89 89 TRP CB C 82 29.285 29.621 -0.336 1
1 999 . 25 1 1 X 89 89 TRP N N 82 122.152 123.204 -1.052 1
1 1001 . 25 1 1 X 90 90 ARG H H 83 9.025 8.596 0.429 1
1 1002 . 25 1 1 X 90 90 ARG HA H 83 3.295 3.926 -0.631 1
1 1009 . 25 1 1 X 90 90 ARG C C 83 178.120 177.935 0.185 1
1 1010 . 25 1 1 X 90 90 ARG CA C 83 60.895 59.732 1.163 1
1 1011 . 25 1 1 X 90 90 ARG CB C 83 28.668 29.684 -1.016 1
1 1014 . 25 1 1 X 90 90 ARG N N 83 118.380 119.655 -1.275 1
1 1015 . 25 1 1 X 91 91 ALA H H 84 7.759 8.270 -0.511 1
1 1016 . 25 1 1 X 91 91 ALA HA H 84 4.151 4.073 0.078 1
1 1020 . 25 1 1 X 91 91 ALA C C 84 181.466 179.969 1.497 1
1 1021 . 25 1 1 X 91 91 ALA CA C 84 55.217 54.887 0.330 1
1 1022 . 25 1 1 X 91 91 ALA CB C 84 18.175 17.967 0.208 1
1 1023 . 25 1 1 X 91 91 ALA N N 84 120.210 120.402 -0.192 1
1 1024 . 25 1 1 X 92 92 ALA H H 85 7.943 7.650 0.293 1
1 1025 . 25 1 1 X 92 92 ALA HA H 85 4.081 4.000 0.081 1
1 1029 . 25 1 1 X 92 92 ALA C C 85 178.324 179.539 -1.215 1
1 1030 . 25 1 1 X 92 92 ALA CA C 85 54.244 55.091 -0.847 1
1 1031 . 25 1 1 X 92 92 ALA CB C 85 18.306 17.802 0.504 1
1 1032 . 25 1 1 X 92 92 ALA N N 85 120.470 120.848 -0.378 1
1 1033 . 25 1 1 X 93 93 ASN H H 86 7.005 7.768 -0.763 1
1 1034 . 25 1 1 X 93 93 ASN HA H 86 4.475 4.436 0.039 1
1 1039 . 25 1 1 X 93 93 ASN C C 86 174.108 175.325 -1.217 1
1 1040 . 25 1 1 X 93 93 ASN CA C 86 53.347 53.612 -0.265 1
1 1041 . 25 1 1 X 93 93 ASN CB C 86 39.379 38.598 0.781 1
1 1043 . 25 1 1 X 93 93 ASN N N 86 113.372 113.797 -0.425 1
1 1045 . 25 1 1 X 94 94 GLY H H 87 7.535 8.055 -0.520 1
1 1046 . 25 1 1 X 94 94 GLY HA2 H 87 3.810 3.956 -0.146 1
1 1047 . 25 1 1 X 94 94 GLY HA3 H 87 3.810 3.960 -0.150 1
1 1048 . 25 1 1 X 94 94 GLY C C 87 174.481 174.078 0.403 1
1 1049 . 25 1 1 X 94 94 GLY CA C 87 47.230 45.317 1.913 1
1 1050 . 25 1 1 X 94 94 GLY N N 87 108.152 106.691 1.461 1
1 1051 . 25 1 1 X 95 95 LYS H H 88 8.037 8.078 -0.041 1
1 1052 . 25 1 1 X 95 95 LYS HA H 88 4.654 4.716 -0.062 1
1 1061 . 25 1 1 X 95 95 LYS CA C 88 53.357 52.955 0.402 1
1 1062 . 25 1 1 X 95 95 LYS CB C 88 32.741 33.453 -0.712 1
1 1066 . 25 1 1 X 95 95 LYS N N 88 119.147 119.882 -0.735 1
1 1067 . 25 1 1 X 96 96 PRO HA H 89 4.275 4.501 -0.226 1
1 1074 . 25 1 1 X 96 96 PRO C C 89 176.696 176.260 0.436 1
1 1075 . 25 1 1 X 96 96 PRO CA C 89 63.482 62.882 0.600 1
1 1076 . 25 1 1 X 96 96 PRO CB C 89 32.981 32.262 0.719 1
1 1079 . 25 1 1 X 97 97 GLY H H 90 8.336 8.282 0.054 1
1 1080 . 25 1 1 X 97 97 GLY HA2 H 90 4.074 3.762 0.312 1
1 1081 . 25 1 1 X 97 97 GLY HA3 H 90 3.615 3.901 -0.286 1
1 1082 . 25 1 1 X 97 97 GLY C C 90 173.388 173.279 0.109 1
1 1083 . 25 1 1 X 97 97 GLY CA C 90 43.347 44.464 -1.117 1
1 1084 . 25 1 1 X 97 97 GLY N N 90 110.343 107.940 2.403 1
1 1085 . 25 1 1 X 98 98 PHE H H 91 7.749 7.946 -0.197 1
1 1086 . 25 1 1 X 98 98 PHE HA H 91 4.527 4.802 -0.275 1
1 1094 . 25 1 1 X 98 98 PHE C C 91 177.021 175.519 1.502 1
1 1095 . 25 1 1 X 98 98 PHE CA C 91 59.184 58.236 0.948 1
1 1096 . 25 1 1 X 98 98 PHE CB C 91 40.005 39.506 0.499 1
1 1102 . 25 1 1 X 98 98 PHE N N 91 116.151 121.049 -4.898 1
1 1103 . 25 1 1 X 99 99 LYS H H 92 8.531 9.056 -0.525 1
1 1104 . 25 1 1 X 99 99 LYS HA H 92 4.178 4.770 -0.592 1
1 1113 . 25 1 1 X 99 99 LYS C C 92 176.542 176.347 0.195 1
1 1114 . 25 1 1 X 99 99 LYS CA C 92 57.292 55.500 1.792 1
1 1115 . 25 1 1 X 99 99 LYS CB C 92 32.875 33.944 -1.069 1
1 1119 . 25 1 1 X 99 99 LYS N N 92 123.602 119.865 3.737 1
1 1120 . 25 1 1 X 100 100 GLN H H 93 8.633 8.533 0.100 1
1 1121 . 25 1 1 X 100 100 GLN HA H 93 4.297 4.885 -0.588 1
1 1128 . 25 1 1 X 100 100 GLN C C 93 175.318 175.632 -0.314 1
1 1129 . 25 1 1 X 100 100 GLN CA C 93 56.479 55.006 1.473 1
1 1130 . 25 1 1 X 100 100 GLN CB C 93 29.751 30.843 -1.092 1
1 1133 . 25 1 1 X 100 100 GLN N N 93 125.089 120.150 4.939 1
1 12 . 26 1 1 X 10 10 LEU H H 3 8.121 8.666 -0.545 1
1 13 . 26 1 1 X 10 10 LEU HA H 3 4.240 5.243 -1.003 1
1 23 . 26 1 1 X 10 10 LEU C C 3 176.909 176.334 0.575 1
1 24 . 26 1 1 X 10 10 LEU CA C 3 54.748 53.739 1.009 1
1 25 . 26 1 1 X 10 10 LEU CB C 3 41.272 43.372 -2.100 1
1 29 . 26 1 1 X 10 10 LEU N N 3 123.688 123.062 0.626 1
1 30 . 26 1 1 X 11 11 LYS H H 4 7.677 8.909 -1.232 1
1 31 . 26 1 1 X 11 11 LYS HA H 4 4.404 4.563 -0.159 1
1 40 . 26 1 1 X 11 11 LYS C C 4 176.184 176.735 -0.551 1
1 41 . 26 1 1 X 11 11 LYS CA C 4 55.828 54.835 0.993 1
1 42 . 26 1 1 X 11 11 LYS CB C 4 33.482 33.828 -0.346 1
1 46 . 26 1 1 X 11 11 LYS N N 4 122.221 122.241 -0.020 1
1 47 . 26 1 1 X 12 12 ASN H H 5 8.538 8.769 -0.231 1
1 48 . 26 1 1 X 12 12 ASN HA H 5 4.685 5.002 -0.317 1
1 53 . 26 1 1 X 12 12 ASN C C 5 174.925 174.196 0.729 1
1 54 . 26 1 1 X 12 12 ASN CA C 5 55.721 53.417 2.304 1
1 55 . 26 1 1 X 12 12 ASN CB C 5 40.409 40.322 0.087 1
1 57 . 26 1 1 X 12 12 ASN N N 5 116.610 117.912 -1.302 1
1 59 . 26 1 1 X 13 13 SER H H 6 8.144 7.546 0.598 1
1 60 . 26 1 1 X 13 13 SER HA H 6 4.819 4.702 0.117 1
1 63 . 26 1 1 X 13 13 SER C C 6 175.123 174.587 0.536 1
1 64 . 26 1 1 X 13 13 SER CA C 6 56.778 56.808 -0.030 1
1 65 . 26 1 1 X 13 13 SER CB C 6 65.949 65.570 0.379 1
1 66 . 26 1 1 X 13 13 SER N N 6 112.138 110.119 2.019 1
1 67 . 26 1 1 X 14 14 ILE H H 7 9.318 8.806 0.512 1
1 68 . 26 1 1 X 14 14 ILE HA H 7 3.966 4.143 -0.177 1
1 78 . 26 1 1 X 14 14 ILE C C 7 175.537 178.073 -2.536 1
1 79 . 26 1 1 X 14 14 ILE CA C 7 64.956 64.429 0.527 1
1 80 . 26 1 1 X 14 14 ILE CB C 7 37.062 37.692 -0.630 1
1 84 . 26 1 1 X 14 14 ILE N N 7 126.034 125.187 0.847 1
1 85 . 26 1 1 X 15 15 SER H H 8 7.504 8.145 -0.641 1
1 86 . 26 1 1 X 15 15 SER HA H 8 4.694 4.913 -0.219 1
1 89 . 26 1 1 X 15 15 SER C C 8 174.278 174.656 -0.378 1
1 90 . 26 1 1 X 15 15 SER CA C 8 59.481 59.214 0.267 1
1 91 . 26 1 1 X 15 15 SER CB C 8 63.241 63.648 -0.407 1
1 92 . 26 1 1 X 15 15 SER N N 8 112.517 117.487 -4.970 1
1 93 . 26 1 1 X 16 16 ASP H H 9 7.783 7.787 -0.004 1
1 94 . 26 1 1 X 16 16 ASP HA H 9 4.791 4.742 0.049 1
1 97 . 26 1 1 X 16 16 ASP C C 9 175.976 175.894 0.082 1
1 98 . 26 1 1 X 16 16 ASP CA C 9 55.243 53.648 1.595 1
1 99 . 26 1 1 X 16 16 ASP CB C 9 43.327 41.074 2.253 1
1 100 . 26 1 1 X 16 16 ASP N N 9 117.795 119.961 -2.166 1
1 101 . 26 1 1 X 17 17 TYR H H 10 8.279 7.686 0.593 1
1 102 . 26 1 1 X 17 17 TYR HA H 10 4.962 5.020 -0.058 1
1 109 . 26 1 1 X 17 17 TYR C C 10 177.535 176.164 1.371 1
1 110 . 26 1 1 X 17 17 TYR CA C 10 58.573 57.444 1.129 1
1 111 . 26 1 1 X 17 17 TYR CB C 10 41.015 40.245 0.770 1
1 116 . 26 1 1 X 17 17 TYR N N 10 120.484 118.214 2.270 1
1 117 . 26 1 1 X 18 18 THR H H 11 8.796 8.851 -0.055 1
1 118 . 26 1 1 X 18 18 THR HA H 11 5.040 5.472 -0.432 1
1 123 . 26 1 1 X 18 18 THR C C 11 176.099 175.956 0.143 1
1 124 . 26 1 1 X 18 18 THR CA C 11 60.775 60.451 0.324 1
1 125 . 26 1 1 X 18 18 THR CB C 11 71.041 70.367 0.674 1
1 127 . 26 1 1 X 18 18 THR N N 11 112.143 115.944 -3.801 1
1 128 . 26 1 1 X 19 19 GLU H H 12 9.173 9.028 0.145 1
1 129 . 26 1 1 X 19 19 GLU HA H 12 2.757 3.542 -0.785 1
1 134 . 26 1 1 X 19 19 GLU C C 12 178.378 178.465 -0.087 1
1 135 . 26 1 1 X 19 19 GLU CA C 12 60.906 59.145 1.761 1
1 136 . 26 1 1 X 19 19 GLU CB C 12 29.442 28.971 0.471 1
1 138 . 26 1 1 X 19 19 GLU N N 12 122.386 121.426 0.960 1
1 139 . 26 1 1 X 20 20 ALA H H 13 8.356 8.230 0.126 1
1 140 . 26 1 1 X 20 20 ALA HA H 13 4.069 4.164 -0.095 1
1 144 . 26 1 1 X 20 20 ALA C C 13 181.816 179.498 2.318 1
1 145 . 26 1 1 X 20 20 ALA CA C 13 55.388 54.934 0.454 1
1 146 . 26 1 1 X 20 20 ALA CB C 13 18.308 18.476 -0.168 1
1 147 . 26 1 1 X 20 20 ALA N N 13 118.695 122.100 -3.405 1
1 148 . 26 1 1 X 21 21 GLU H H 14 8.013 7.988 0.025 1
1 149 . 26 1 1 X 21 21 GLU HA H 14 4.131 4.120 0.011 1
1 154 . 26 1 1 X 21 21 GLU C C 14 179.649 179.343 0.306 1
1 155 . 26 1 1 X 21 21 GLU CA C 14 58.916 59.062 -0.146 1
1 156 . 26 1 1 X 21 21 GLU CB C 14 31.632 29.569 2.063 1
1 158 . 26 1 1 X 21 21 GLU N N 14 118.978 119.408 -0.430 1
1 159 . 26 1 1 X 22 22 PHE H H 15 8.635 8.345 0.290 1
1 160 . 26 1 1 X 22 22 PHE HA H 15 4.049 4.015 0.034 1
1 167 . 26 1 1 X 22 22 PHE C C 15 177.402 177.571 -0.169 1
1 168 . 26 1 1 X 22 22 PHE CA C 15 62.183 60.964 1.219 1
1 169 . 26 1 1 X 22 22 PHE CB C 15 40.545 38.637 1.908 1
1 174 . 26 1 1 X 22 22 PHE N N 15 124.639 122.295 2.344 1
1 175 . 26 1 1 X 23 23 VAL H H 16 8.647 8.448 0.199 1
1 176 . 26 1 1 X 23 23 VAL HA H 16 3.416 3.649 -0.233 1
1 184 . 26 1 1 X 23 23 VAL C C 16 177.798 177.742 0.056 1
1 185 . 26 1 1 X 23 23 VAL CA C 16 67.917 66.441 1.476 1
1 186 . 26 1 1 X 23 23 VAL CB C 16 31.579 31.176 0.403 1
1 189 . 26 1 1 X 23 23 VAL N N 16 119.817 118.497 1.320 1
1 190 . 26 1 1 X 24 24 GLN H H 17 7.569 8.080 -0.511 1
1 191 . 26 1 1 X 24 24 GLN HA H 17 3.943 3.949 -0.006 1
1 198 . 26 1 1 X 24 24 GLN C C 17 178.313 177.970 0.343 1
1 199 . 26 1 1 X 24 24 GLN CA C 17 59.289 58.995 0.294 1
1 200 . 26 1 1 X 24 24 GLN CB C 17 27.814 28.061 -0.247 1
1 203 . 26 1 1 X 24 24 GLN N N 17 117.658 120.786 -3.128 1
1 205 . 26 1 1 X 25 25 LEU H H 18 7.512 7.976 -0.464 1
1 206 . 26 1 1 X 25 25 LEU HA H 18 4.136 4.001 0.135 1
1 216 . 26 1 1 X 25 25 LEU C C 18 178.440 178.105 0.335 1
1 217 . 26 1 1 X 25 25 LEU CA C 18 58.651 58.119 0.532 1
1 218 . 26 1 1 X 25 25 LEU CB C 18 40.626 41.302 -0.676 1
1 222 . 26 1 1 X 25 25 LEU N N 18 122.037 120.962 1.075 1
1 223 . 26 1 1 X 26 26 LEU H H 19 7.761 8.045 -0.284 1
1 224 . 26 1 1 X 26 26 LEU HA H 19 3.748 3.565 0.183 1
1 234 . 26 1 1 X 26 26 LEU C C 19 180.080 179.021 1.059 1
1 235 . 26 1 1 X 26 26 LEU CA C 19 58.041 57.402 0.639 1
1 236 . 26 1 1 X 26 26 LEU CB C 19 41.009 41.109 -0.100 1
1 240 . 26 1 1 X 26 26 LEU N N 19 118.502 117.972 0.530 1
1 241 . 26 1 1 X 27 27 LYS H H 20 8.357 8.259 0.098 1
1 242 . 26 1 1 X 27 27 LYS HA H 20 4.019 3.756 0.263 1
1 251 . 26 1 1 X 27 27 LYS C C 20 179.559 179.797 -0.238 1
1 252 . 26 1 1 X 27 27 LYS CA C 20 59.648 60.375 -0.727 1
1 253 . 26 1 1 X 27 27 LYS CB C 20 31.995 32.147 -0.152 1
1 257 . 26 1 1 X 27 27 LYS N N 20 120.427 118.595 1.832 1
1 258 . 26 1 1 X 28 28 GLU H H 21 8.123 8.123 0.000 1
1 259 . 26 1 1 X 28 28 GLU HA H 21 4.082 3.969 0.113 1
1 264 . 26 1 1 X 28 28 GLU C C 21 179.063 179.271 -0.208 1
1 265 . 26 1 1 X 28 28 GLU CA C 21 59.406 59.183 0.223 1
1 266 . 26 1 1 X 28 28 GLU CB C 21 29.146 29.399 -0.253 1
1 268 . 26 1 1 X 28 28 GLU N N 21 122.374 119.998 2.376 1
1 269 . 26 1 1 X 29 29 ILE H H 22 8.049 8.246 -0.197 1
1 270 . 26 1 1 X 29 29 ILE HA H 22 3.343 3.558 -0.215 1
1 280 . 26 1 1 X 29 29 ILE C C 22 177.151 177.549 -0.398 1
1 281 . 26 1 1 X 29 29 ILE CA C 22 66.435 65.437 0.998 1
1 282 . 26 1 1 X 29 29 ILE CB C 22 37.954 37.482 0.472 1
1 286 . 26 1 1 X 29 29 ILE N N 22 120.195 121.186 -0.991 1
1 287 . 26 1 1 X 30 30 GLU H H 23 7.820 8.299 -0.479 1
1 288 . 26 1 1 X 30 30 GLU HA H 23 3.983 3.870 0.113 1
1 293 . 26 1 1 X 30 30 GLU C C 23 178.990 178.671 0.319 1
1 294 . 26 1 1 X 30 30 GLU CA C 23 59.460 58.930 0.530 1
1 295 . 26 1 1 X 30 30 GLU CB C 23 30.012 29.017 0.995 1
1 297 . 26 1 1 X 30 30 GLU N N 23 118.917 119.964 -1.047 1
1 298 . 26 1 1 X 31 31 LYS H H 24 7.678 7.557 0.121 1
1 299 . 26 1 1 X 31 31 LYS HA H 24 4.059 3.916 0.143 1
1 308 . 26 1 1 X 31 31 LYS C C 24 179.231 179.899 -0.668 1
1 309 . 26 1 1 X 31 31 LYS CA C 24 59.152 59.567 -0.415 1
1 310 . 26 1 1 X 31 31 LYS CB C 24 32.712 32.042 0.670 1
1 314 . 26 1 1 X 31 31 LYS N N 24 118.807 119.789 -0.982 1
1 315 . 26 1 1 X 32 32 GLU H H 25 8.182 8.622 -0.440 1
1 316 . 26 1 1 X 32 32 GLU HA H 25 4.309 4.132 0.177 1
1 321 . 26 1 1 X 32 32 GLU C C 25 177.897 178.707 -0.810 1
1 322 . 26 1 1 X 32 32 GLU CA C 25 57.449 58.663 -1.214 1
1 323 . 26 1 1 X 32 32 GLU CB C 25 29.522 29.234 0.288 1
1 325 . 26 1 1 X 32 32 GLU N N 25 118.578 119.036 -0.458 1
1 326 . 26 1 1 X 33 33 ASN H H 26 8.343 7.661 0.682 1
1 327 . 26 1 1 X 33 33 ASN HA H 26 4.608 4.423 0.185 1
1 330 . 26 1 1 X 33 33 ASN C C 26 176.524 177.451 -0.927 1
1 331 . 26 1 1 X 33 33 ASN CA C 26 55.463 55.872 -0.409 1
1 332 . 26 1 1 X 33 33 ASN CB C 26 39.074 38.585 0.489 1
1 333 . 26 1 1 X 33 33 ASN N N 26 118.483 118.710 -0.227 1
1 334 . 26 1 1 X 34 34 VAL H H 27 7.434 8.154 -0.720 1
1 335 . 26 1 1 X 34 34 VAL HA H 27 4.182 3.891 0.291 1
1 343 . 26 1 1 X 34 34 VAL C C 27 176.315 177.780 -1.465 1
1 344 . 26 1 1 X 34 34 VAL CA C 27 62.829 63.891 -1.062 1
1 345 . 26 1 1 X 34 34 VAL CB C 27 32.178 31.354 0.824 1
1 348 . 26 1 1 X 34 34 VAL N N 27 114.036 116.632 -2.596 1
1 349 . 26 1 1 X 35 35 ALA H H 28 7.648 7.899 -0.251 1
1 350 . 26 1 1 X 35 35 ALA HA H 28 4.346 4.268 0.078 1
1 354 . 26 1 1 X 35 35 ALA C C 28 177.126 176.838 0.288 1
1 355 . 26 1 1 X 35 35 ALA CA C 28 52.712 52.679 0.033 1
1 356 . 26 1 1 X 35 35 ALA CB C 28 19.915 19.472 0.443 1
1 357 . 26 1 1 X 35 35 ALA N N 28 124.066 123.314 0.752 1
1 358 . 26 1 1 X 36 36 ALA H H 29 8.337 7.884 0.453 1
1 359 . 26 1 1 X 36 36 ALA HA H 29 4.260 4.016 0.244 1
1 363 . 26 1 1 X 36 36 ALA C C 29 177.999 177.702 0.297 1
1 364 . 26 1 1 X 36 36 ALA CA C 29 53.660 52.858 0.802 1
1 365 . 26 1 1 X 36 36 ALA CB C 29 19.175 17.068 2.107 1
1 366 . 26 1 1 X 36 36 ALA N N 29 121.695 119.324 2.371 1
1 367 . 26 1 1 X 37 37 THR H H 30 8.093 8.133 -0.040 1
1 368 . 26 1 1 X 37 37 THR HA H 30 4.533 4.454 0.079 1
1 373 . 26 1 1 X 37 37 THR C C 30 174.715 175.604 -0.889 1
1 374 . 26 1 1 X 37 37 THR CA C 30 60.860 62.576 -1.716 1
1 375 . 26 1 1 X 37 37 THR CB C 30 70.424 70.377 0.047 1
1 377 . 26 1 1 X 37 37 THR N N 30 110.112 111.655 -1.543 1
1 378 . 26 1 1 X 38 38 ASP H H 31 8.488 7.967 0.521 1
1 379 . 26 1 1 X 38 38 ASP HA H 31 4.685 4.242 0.443 1
1 382 . 26 1 1 X 38 38 ASP C C 31 175.896 176.065 -0.169 1
1 383 . 26 1 1 X 38 38 ASP CA C 31 54.704 56.673 -1.969 1
1 384 . 26 1 1 X 38 38 ASP CB C 31 41.389 38.654 2.735 1
1 385 . 26 1 1 X 38 38 ASP N N 31 121.899 116.374 5.525 1
1 386 . 26 1 1 X 39 39 ASP H H 32 8.368 8.995 -0.627 1
1 387 . 26 1 1 X 39 39 ASP HA H 32 4.459 4.404 0.055 1
1 390 . 26 1 1 X 39 39 ASP C C 32 177.499 178.567 -1.068 1
1 391 . 26 1 1 X 39 39 ASP CA C 32 56.443 56.803 -0.360 1
1 392 . 26 1 1 X 39 39 ASP CB C 32 40.737 40.104 0.633 1
1 393 . 26 1 1 X 39 39 ASP N N 32 118.770 119.104 -0.334 1
1 394 . 26 1 1 X 40 40 VAL H H 33 7.963 7.807 0.156 1
1 395 . 26 1 1 X 40 40 VAL HA H 33 3.800 3.964 -0.164 1
1 403 . 26 1 1 X 40 40 VAL C C 33 177.362 177.546 -0.184 1
1 404 . 26 1 1 X 40 40 VAL CA C 33 64.970 64.647 0.323 1
1 405 . 26 1 1 X 40 40 VAL CB C 33 32.256 32.229 0.027 1
1 408 . 26 1 1 X 40 40 VAL N N 33 119.409 119.102 0.307 1
1 409 . 26 1 1 X 41 41 LEU H H 34 8.508 7.623 0.885 1
1 410 . 26 1 1 X 41 41 LEU HA H 34 3.857 3.895 -0.038 1
1 420 . 26 1 1 X 41 41 LEU C C 34 177.633 178.273 -0.640 1
1 421 . 26 1 1 X 41 41 LEU CA C 34 58.428 58.554 -0.126 1
1 422 . 26 1 1 X 41 41 LEU CB C 34 41.755 41.366 0.389 1
1 426 . 26 1 1 X 41 41 LEU N N 34 122.150 122.633 -0.483 1
1 427 . 26 1 1 X 42 42 ASP H H 35 8.236 8.343 -0.107 1
1 428 . 26 1 1 X 42 42 ASP HA H 35 4.370 4.300 0.070 1
1 431 . 26 1 1 X 42 42 ASP C C 35 179.155 178.707 0.448 1
1 432 . 26 1 1 X 42 42 ASP CA C 35 57.925 57.721 0.204 1
1 433 . 26 1 1 X 42 42 ASP CB C 35 40.417 41.105 -0.688 1
1 434 . 26 1 1 X 42 42 ASP N N 35 116.374 119.106 -2.732 1
1 435 . 26 1 1 X 43 43 VAL H H 36 7.320 7.593 -0.273 1
1 436 . 26 1 1 X 43 43 VAL HA H 36 3.782 3.631 0.151 1
1 444 . 26 1 1 X 43 43 VAL C C 36 179.309 178.360 0.949 1
1 445 . 26 1 1 X 43 43 VAL CA C 36 66.080 66.700 -0.620 1
1 446 . 26 1 1 X 43 43 VAL CB C 36 32.245 31.607 0.638 1
1 449 . 26 1 1 X 43 43 VAL N N 36 119.754 119.860 -0.106 1
1 450 . 26 1 1 X 44 44 LEU H H 37 8.122 8.324 -0.202 1
1 451 . 26 1 1 X 44 44 LEU HA H 37 4.008 3.991 0.017 1
1 461 . 26 1 1 X 44 44 LEU C C 37 179.518 179.281 0.237 1
1 462 . 26 1 1 X 44 44 LEU CA C 37 58.048 57.933 0.115 1
1 463 . 26 1 1 X 44 44 LEU CB C 37 42.374 41.620 0.754 1
1 467 . 26 1 1 X 44 44 LEU N N 37 120.608 119.042 1.566 1
1 468 . 26 1 1 X 45 45 LEU H H 38 8.898 8.488 0.410 1
1 469 . 26 1 1 X 45 45 LEU HA H 38 4.030 3.916 0.114 1
1 479 . 26 1 1 X 45 45 LEU C C 38 179.166 179.498 -0.332 1
1 480 . 26 1 1 X 45 45 LEU CA C 38 58.184 58.256 -0.072 1
1 481 . 26 1 1 X 45 45 LEU CB C 38 41.506 41.664 -0.158 1
1 485 . 26 1 1 X 45 45 LEU N N 38 119.199 118.763 0.436 1
1 486 . 26 1 1 X 46 46 GLU H H 39 7.964 8.559 -0.595 1
1 487 . 26 1 1 X 46 46 GLU HA H 39 4.066 4.128 -0.062 1
1 492 . 26 1 1 X 46 46 GLU C C 39 178.995 178.828 0.167 1
1 493 . 26 1 1 X 46 46 GLU CA C 39 59.769 59.313 0.456 1
1 494 . 26 1 1 X 46 46 GLU CB C 39 29.577 29.050 0.527 1
1 496 . 26 1 1 X 46 46 GLU N N 39 119.334 118.087 1.247 1
1 497 . 26 1 1 X 47 47 HIS H H 40 8.009 8.625 -0.616 1
1 498 . 26 1 1 X 47 47 HIS HA H 40 4.416 4.404 0.012 1
1 503 . 26 1 1 X 47 47 HIS C C 40 176.115 176.950 -0.835 1
1 504 . 26 1 1 X 47 47 HIS CA C 40 60.151 58.858 1.293 1
1 505 . 26 1 1 X 47 47 HIS CB C 40 30.389 30.611 -0.222 1
1 508 . 26 1 1 X 47 47 HIS N N 40 119.610 120.304 -0.694 1
1 509 . 26 1 1 X 48 48 PHE H H 41 8.711 8.502 0.209 1
1 510 . 26 1 1 X 48 48 PHE HA H 41 3.808 4.214 -0.406 1
1 518 . 26 1 1 X 48 48 PHE C C 41 178.023 177.315 0.708 1
1 519 . 26 1 1 X 48 48 PHE CA C 41 62.654 61.494 1.160 1
1 520 . 26 1 1 X 48 48 PHE CB C 41 39.408 39.293 0.115 1
1 526 . 26 1 1 X 48 48 PHE N N 41 118.110 120.265 -2.155 1
1 527 . 26 1 1 X 49 49 VAL H H 42 8.439 8.164 0.275 1
1 528 . 26 1 1 X 49 49 VAL HA H 42 3.359 3.814 -0.455 1
1 536 . 26 1 1 X 49 49 VAL C C 42 178.340 177.434 0.906 1
1 537 . 26 1 1 X 49 49 VAL CA C 42 67.276 64.417 2.859 1
1 538 . 26 1 1 X 49 49 VAL CB C 42 32.235 31.376 0.859 1
1 541 . 26 1 1 X 49 49 VAL N N 42 121.301 118.683 2.618 1
1 542 . 26 1 1 X 50 50 LYS H H 43 8.091 8.463 -0.372 1
1 543 . 26 1 1 X 50 50 LYS HA H 43 3.973 4.040 -0.067 1
1 552 . 26 1 1 X 50 50 LYS C C 43 178.985 178.395 0.590 1
1 553 . 26 1 1 X 50 50 LYS CA C 43 59.580 58.974 0.606 1
1 554 . 26 1 1 X 50 50 LYS CB C 43 32.784 31.968 0.816 1
1 558 . 26 1 1 X 50 50 LYS N N 43 120.887 119.805 1.082 1
1 559 . 26 1 1 X 51 51 ILE H H 44 8.347 7.443 0.904 1
1 560 . 26 1 1 X 51 51 ILE HA H 44 4.159 3.893 0.266 1
1 570 . 26 1 1 X 51 51 ILE C C 44 178.121 177.910 0.211 1
1 571 . 26 1 1 X 51 51 ILE CA C 44 62.328 64.447 -2.119 1
1 572 . 26 1 1 X 51 51 ILE CB C 44 37.576 37.294 0.282 1
1 576 . 26 1 1 X 51 51 ILE N N 44 111.354 116.670 -5.316 1
1 577 . 26 1 1 X 52 52 THR H H 45 7.588 7.609 -0.021 1
1 578 . 26 1 1 X 52 52 THR HA H 45 3.683 4.135 -0.452 1
1 583 . 26 1 1 X 52 52 THR C C 45 176.285 175.361 0.924 1
1 584 . 26 1 1 X 52 52 THR CA C 45 65.803 63.259 2.544 1
1 585 . 26 1 1 X 52 52 THR CB C 45 69.689 69.858 -0.169 1
1 587 . 26 1 1 X 52 52 THR N N 45 109.646 112.638 -2.992 1
1 588 . 26 1 1 X 53 53 GLU H H 46 7.366 7.881 -0.515 1
1 589 . 26 1 1 X 53 53 GLU HA H 46 3.836 4.066 -0.230 1
1 594 . 26 1 1 X 53 53 GLU C C 46 173.418 174.728 -1.310 1
1 595 . 26 1 1 X 53 53 GLU CA C 46 57.709 57.494 0.215 1
1 596 . 26 1 1 X 53 53 GLU CB C 46 29.067 27.405 1.662 1
1 598 . 26 1 1 X 53 53 GLU N N 46 112.606 113.449 -0.843 1
1 599 . 26 1 1 X 54 54 HIS H H 47 7.127 7.110 0.017 1
1 600 . 26 1 1 X 54 54 HIS HA H 47 3.070 3.234 -0.164 1
1 605 . 26 1 1 X 54 54 HIS CA C 47 55.826 54.792 1.034 1
1 606 . 26 1 1 X 54 54 HIS CB C 47 32.124 30.832 1.292 1
1 609 . 26 1 1 X 54 54 HIS N N 47 119.651 119.996 -0.345 1
1 610 . 26 1 1 X 55 55 PRO HA H 48 4.143 4.344 -0.201 1
1 617 . 26 1 1 X 55 55 PRO CA C 48 64.843 64.424 0.419 1
1 618 . 26 1 1 X 55 55 PRO CB C 48 32.350 31.679 0.671 1
1 621 . 26 1 1 X 56 56 ASP H H 49 10.605 7.357 3.248 1
1 622 . 26 1 1 X 56 56 ASP HA H 49 4.712 5.015 -0.303 1
1 625 . 26 1 1 X 56 56 ASP C C 49 178.187 177.280 0.907 1
1 626 . 26 1 1 X 56 56 ASP CA C 49 54.989 53.796 1.193 1
1 627 . 26 1 1 X 56 56 ASP CB C 49 40.657 41.744 -1.087 1
1 628 . 26 1 1 X 56 56 ASP N N 49 121.022 117.661 3.361 1
1 629 . 26 1 1 X 57 57 GLY H H 50 8.011 8.080 -0.069 1
1 630 . 26 1 1 X 57 57 GLY HA2 H 50 4.122 3.907 0.215 1
1 631 . 26 1 1 X 57 57 GLY HA3 H 50 3.701 4.022 -0.321 1
1 632 . 26 1 1 X 57 57 GLY C C 50 175.337 176.003 -0.666 1
1 633 . 26 1 1 X 57 57 GLY CA C 50 47.435 47.569 -0.134 1
1 634 . 26 1 1 X 57 57 GLY N N 50 108.190 109.237 -1.047 1
1 635 . 26 1 1 X 58 58 THR H H 51 9.047 8.285 0.762 1
1 636 . 26 1 1 X 58 58 THR HA H 51 3.730 4.298 -0.568 1
1 641 . 26 1 1 X 58 58 THR C C 51 176.082 176.555 -0.473 1
1 642 . 26 1 1 X 58 58 THR CA C 51 64.795 65.447 -0.652 1
1 643 . 26 1 1 X 58 58 THR CB C 51 68.398 68.759 -0.361 1
1 645 . 26 1 1 X 58 58 THR N N 51 114.996 117.211 -2.215 1
1 646 . 26 1 1 X 59 59 ALA H H 52 8.142 8.229 -0.087 1
1 647 . 26 1 1 X 59 59 ALA HA H 52 4.205 4.163 0.042 1
1 651 . 26 1 1 X 59 59 ALA C C 52 179.373 179.988 -0.615 1
1 652 . 26 1 1 X 59 59 ALA CA C 52 55.625 55.217 0.408 1
1 653 . 26 1 1 X 59 59 ALA CB C 52 18.416 18.068 0.348 1
1 654 . 26 1 1 X 59 59 ALA N N 52 125.565 123.760 1.805 1
1 655 . 26 1 1 X 60 60 LEU H H 53 7.399 8.271 -0.872 1
1 656 . 26 1 1 X 60 60 LEU HA H 53 3.835 3.919 -0.084 1
1 666 . 26 1 1 X 60 60 LEU C C 53 178.601 178.963 -0.362 1
1 667 . 26 1 1 X 60 60 LEU CA C 53 58.031 58.150 -0.119 1
1 668 . 26 1 1 X 60 60 LEU CB C 53 43.487 41.728 1.759 1
1 672 . 26 1 1 X 60 60 LEU N N 53 114.763 117.751 -2.988 1
1 673 . 26 1 1 X 61 61 ILE H H 54 6.855 7.703 -0.848 1
1 674 . 26 1 1 X 61 61 ILE HA H 54 3.518 3.377 0.141 1
1 684 . 26 1 1 X 61 61 ILE C C 54 178.595 177.706 0.889 1
1 685 . 26 1 1 X 61 61 ILE CA C 54 62.989 65.031 -2.042 1
1 686 . 26 1 1 X 61 61 ILE CB C 54 38.424 37.414 1.010 1
1 690 . 26 1 1 X 61 61 ILE N N 54 114.394 120.031 -5.637 1
1 691 . 26 1 1 X 62 62 TYR H H 55 7.489 8.213 -0.724 1
1 692 . 26 1 1 X 62 62 TYR HA H 55 4.243 4.275 -0.032 1
1 699 . 26 1 1 X 62 62 TYR C C 55 178.634 178.863 -0.229 1
1 700 . 26 1 1 X 62 62 TYR CA C 55 61.518 60.523 0.995 1
1 701 . 26 1 1 X 62 62 TYR CB C 55 37.566 37.957 -0.391 1
1 706 . 26 1 1 X 62 62 TYR N N 55 117.898 118.749 -0.851 1
1 707 . 26 1 1 X 63 63 GLU H H 56 8.659 8.864 -0.205 1
1 708 . 26 1 1 X 63 63 GLU HA H 56 4.441 4.121 0.320 1
1 713 . 26 1 1 X 63 63 GLU C C 56 177.785 178.855 -1.070 1
1 714 . 26 1 1 X 63 63 GLU CA C 56 57.658 59.359 -1.701 1
1 715 . 26 1 1 X 63 63 GLU CB C 56 29.034 29.133 -0.099 1
1 717 . 26 1 1 X 63 63 GLU N N 56 119.392 117.914 1.478 1
1 718 . 26 1 1 X 64 64 ALA H H 57 7.164 8.279 -1.115 1
1 719 . 26 1 1 X 64 64 ALA HA H 57 4.021 4.107 -0.086 1
1 723 . 26 1 1 X 64 64 ALA C C 57 180.327 179.887 0.440 1
1 724 . 26 1 1 X 64 64 ALA CA C 57 55.759 54.962 0.797 1
1 725 . 26 1 1 X 64 64 ALA CB C 57 18.615 18.006 0.609 1
1 726 . 26 1 1 X 64 64 ALA N N 57 121.778 122.508 -0.730 1
1 727 . 26 1 1 X 65 65 ALA H H 58 8.076 8.327 -0.251 1
1 728 . 26 1 1 X 65 65 ALA HA H 58 4.137 3.930 0.207 1
1 732 . 26 1 1 X 65 65 ALA C C 58 180.248 179.562 0.686 1
1 733 . 26 1 1 X 65 65 ALA CA C 58 55.104 55.017 0.087 1
1 734 . 26 1 1 X 65 65 ALA CB C 58 18.071 18.087 -0.016 1
1 735 . 26 1 1 X 65 65 ALA N N 58 120.307 119.863 0.444 1
1 736 . 26 1 1 X 66 66 ALA H H 59 7.893 7.575 0.318 1
1 737 . 26 1 1 X 66 66 ALA HA H 59 4.170 4.028 0.142 1
1 741 . 26 1 1 X 66 66 ALA C C 59 180.838 179.461 1.377 1
1 742 . 26 1 1 X 66 66 ALA CA C 59 54.800 55.075 -0.275 1
1 743 . 26 1 1 X 66 66 ALA CB C 59 18.184 18.050 0.134 1
1 744 . 26 1 1 X 66 66 ALA N N 59 122.126 119.962 2.164 1
1 745 . 26 1 1 X 67 67 ARG H H 60 8.139 8.588 -0.449 1
1 746 . 26 1 1 X 67 67 ARG HA H 60 4.065 3.991 0.074 1
1 753 . 26 1 1 X 67 67 ARG C C 60 178.779 178.271 0.508 1
1 754 . 26 1 1 X 67 67 ARG CA C 60 59.282 59.629 -0.347 1
1 755 . 26 1 1 X 67 67 ARG CB C 60 30.863 29.745 1.118 1
1 758 . 26 1 1 X 67 67 ARG N N 60 118.948 118.405 0.543 1
1 759 . 26 1 1 X 68 68 ALA H H 61 7.891 8.499 -0.608 1
1 760 . 26 1 1 X 68 68 ALA HA H 61 4.141 4.123 0.018 1
1 764 . 26 1 1 X 68 68 ALA C C 61 179.329 179.629 -0.300 1
1 765 . 26 1 1 X 68 68 ALA CA C 61 54.340 53.866 0.474 1
1 766 . 26 1 1 X 68 68 ALA CB C 61 18.528 18.403 0.125 1
1 767 . 26 1 1 X 68 68 ALA N N 61 121.473 122.136 -0.663 1
1 768 . 26 1 1 X 69 69 ALA H H 62 7.663 7.701 -0.038 1
1 769 . 26 1 1 X 69 69 ALA HA H 62 4.133 4.198 -0.065 1
1 773 . 26 1 1 X 69 69 ALA C C 62 178.591 177.899 0.692 1
1 774 . 26 1 1 X 69 69 ALA CA C 62 53.863 54.457 -0.594 1
1 775 . 26 1 1 X 69 69 ALA CB C 62 18.438 19.119 -0.681 1
1 776 . 26 1 1 X 69 69 ALA N N 62 118.937 118.723 0.214 1
1 777 . 26 1 1 X 70 70 ALA H H 63 7.488 7.459 0.029 1
1 778 . 26 1 1 X 70 70 ALA HA H 63 4.280 4.512 -0.232 1
1 782 . 26 1 1 X 70 70 ALA C C 63 177.318 175.755 1.563 1
1 783 . 26 1 1 X 70 70 ALA CA C 63 52.981 51.211 1.770 1
1 784 . 26 1 1 X 70 70 ALA CB C 63 19.324 19.202 0.122 1
1 785 . 26 1 1 X 70 70 ALA N N 63 118.642 119.237 -0.595 1
1 786 . 26 1 1 X 71 71 ASN H H 64 7.631 8.491 -0.860 1
1 787 . 26 1 1 X 71 71 ASN HA H 64 5.077 5.280 -0.203 1
1 792 . 26 1 1 X 71 71 ASN CA C 64 50.877 50.288 0.589 1
1 793 . 26 1 1 X 71 71 ASN CB C 64 39.243 39.698 -0.455 1
1 795 . 26 1 1 X 71 71 ASN N N 64 116.008 122.005 -5.997 1
1 797 . 26 1 1 X 72 72 PRO HA H 65 4.468 4.517 -0.049 1
1 804 . 26 1 1 X 72 72 PRO CA C 65 64.454 63.764 0.690 1
1 805 . 26 1 1 X 72 72 PRO CB C 65 32.007 31.857 0.150 1
1 808 . 26 1 1 X 73 73 GLY H H 66 8.608 7.304 1.304 1
1 809 . 26 1 1 X 73 73 GLY HA2 H 66 3.978 4.122 -0.144 1
1 810 . 26 1 1 X 73 73 GLY HA3 H 66 3.978 4.123 -0.145 1
1 811 . 26 1 1 X 73 73 GLY C C 66 175.054 172.709 2.345 1
1 812 . 26 1 1 X 73 73 GLY CA C 66 45.521 46.096 -0.575 1
1 813 . 26 1 1 X 73 73 GLY N N 66 109.435 107.087 2.348 1
1 814 . 26 1 1 X 74 74 GLY H H 67 8.085 7.571 0.514 1
1 815 . 26 1 1 X 74 74 GLY HA2 H 67 4.132 4.080 0.052 1
1 816 . 26 1 1 X 74 74 GLY HA3 H 67 3.896 4.083 -0.187 1
1 817 . 26 1 1 X 74 74 GLY C C 67 174.008 172.715 1.293 1
1 818 . 26 1 1 X 74 74 GLY CA C 67 45.450 45.718 -0.268 1
1 819 . 26 1 1 X 74 74 GLY N N 67 108.472 104.610 3.862 1
1 820 . 26 1 1 X 75 75 ASP H H 68 8.307 9.129 -0.822 1
1 821 . 26 1 1 X 75 75 ASP HA H 68 4.646 4.322 0.324 1
1 824 . 26 1 1 X 75 75 ASP C C 68 176.933 176.010 0.923 1
1 825 . 26 1 1 X 75 75 ASP CA C 68 54.226 55.464 -1.238 1
1 826 . 26 1 1 X 75 75 ASP CB C 68 41.486 39.292 2.194 1
1 827 . 26 1 1 X 75 75 ASP N N 68 119.941 118.646 1.295 1
1 828 . 26 1 1 X 76 76 GLY H H 69 8.502 8.301 0.201 1
1 829 . 26 1 1 X 76 76 GLY HA2 H 69 3.966 4.028 -0.062 1
1 830 . 26 1 1 X 76 76 GLY HA3 H 69 3.951 4.029 -0.078 1
1 831 . 26 1 1 X 76 76 GLY C C 69 174.771 175.206 -0.435 1
1 832 . 26 1 1 X 76 76 GLY CA C 69 45.744 45.516 0.228 1
1 833 . 26 1 1 X 76 76 GLY N N 69 109.061 104.913 4.148 1
1 834 . 26 1 1 X 77 77 GLY H H 70 8.367 7.877 0.490 1
1 835 . 26 1 1 X 77 77 GLY HA2 H 70 4.092 3.895 0.197 1
1 836 . 26 1 1 X 77 77 GLY HA3 H 70 3.920 3.900 0.020 1
1 837 . 26 1 1 X 77 77 GLY C C 70 174.782 173.809 0.973 1
1 838 . 26 1 1 X 77 77 GLY CA C 70 45.327 46.734 -1.407 1
1 839 . 26 1 1 X 77 77 GLY N N 70 108.393 108.260 0.133 1
1 840 . 26 1 1 X 78 78 GLY H H 71 8.263 7.754 0.509 1
1 841 . 26 1 1 X 78 78 GLY HA2 H 71 4.205 4.139 0.066 1
1 842 . 26 1 1 X 78 78 GLY HA3 H 71 4.092 4.152 -0.060 1
1 843 . 26 1 1 X 78 78 GLY CA C 71 45.581 45.010 0.571 1
1 844 . 26 1 1 X 78 78 GLY N N 71 108.388 109.618 -1.230 1
1 845 . 26 1 1 X 79 79 PRO HA H 72 4.199 4.232 -0.033 1
1 852 . 26 1 1 X 79 79 PRO C C 72 178.000 177.677 0.323 1
1 853 . 26 1 1 X 79 79 PRO CA C 72 65.568 64.615 0.953 1
1 854 . 26 1 1 X 79 79 PRO CB C 72 32.864 31.881 0.983 1
1 857 . 26 1 1 X 80 80 GLU H H 73 9.283 8.298 0.985 1
1 858 . 26 1 1 X 80 80 GLU HA H 73 3.833 4.264 -0.431 1
1 863 . 26 1 1 X 80 80 GLU C C 73 179.587 177.870 1.717 1
1 864 . 26 1 1 X 80 80 GLU CA C 73 61.125 57.090 4.035 1
1 865 . 26 1 1 X 80 80 GLU CB C 73 28.576 29.410 -0.834 1
1 867 . 26 1 1 X 80 80 GLU N N 73 117.078 116.543 0.535 1
1 868 . 26 1 1 X 81 81 GLY H H 74 7.926 8.027 -0.101 1
1 869 . 26 1 1 X 81 81 GLY HA2 H 74 3.964 3.890 0.074 1
1 870 . 26 1 1 X 81 81 GLY HA3 H 74 3.914 3.909 0.005 1
1 871 . 26 1 1 X 81 81 GLY C C 74 176.538 176.356 0.182 1
1 872 . 26 1 1 X 81 81 GLY CA C 74 47.084 46.255 0.829 1
1 873 . 26 1 1 X 81 81 GLY N N 74 108.577 108.346 0.231 1
1 874 . 26 1 1 X 82 82 ILE H H 75 7.593 7.686 -0.093 1
1 875 . 26 1 1 X 82 82 ILE HA H 75 3.873 3.940 -0.067 1
1 885 . 26 1 1 X 82 82 ILE C C 75 178.147 178.148 -0.001 1
1 886 . 26 1 1 X 82 82 ILE CA C 75 65.342 64.723 0.619 1
1 887 . 26 1 1 X 82 82 ILE CB C 75 38.163 37.049 1.114 1
1 891 . 26 1 1 X 82 82 ILE N N 75 123.572 119.759 3.813 1
1 892 . 26 1 1 X 83 83 VAL H H 76 8.135 7.536 0.599 1
1 893 . 26 1 1 X 83 83 VAL HA H 76 3.575 4.258 -0.683 1
1 901 . 26 1 1 X 83 83 VAL C C 76 177.094 178.209 -1.115 1
1 902 . 26 1 1 X 83 83 VAL CA C 76 68.153 65.960 2.193 1
1 903 . 26 1 1 X 83 83 VAL CB C 76 31.653 31.589 0.064 1
1 906 . 26 1 1 X 83 83 VAL N N 76 118.553 119.240 -0.687 1
1 907 . 26 1 1 X 84 84 LYS H H 77 7.803 8.148 -0.345 1
1 908 . 26 1 1 X 84 84 LYS HA H 77 4.006 4.150 -0.144 1
1 917 . 26 1 1 X 84 84 LYS C C 77 178.064 178.836 -0.772 1
1 918 . 26 1 1 X 84 84 LYS CA C 77 60.516 59.525 0.991 1
1 919 . 26 1 1 X 84 84 LYS CB C 77 32.849 32.490 0.359 1
1 923 . 26 1 1 X 84 84 LYS N N 77 119.572 121.692 -2.120 1
1 924 . 26 1 1 X 85 85 GLU H H 78 7.629 7.937 -0.308 1
1 925 . 26 1 1 X 85 85 GLU HA H 78 4.246 4.146 0.100 1
1 930 . 26 1 1 X 85 85 GLU C C 78 179.834 179.319 0.515 1
1 931 . 26 1 1 X 85 85 GLU CA C 78 59.752 59.103 0.649 1
1 932 . 26 1 1 X 85 85 GLU CB C 78 29.189 29.444 -0.255 1
1 934 . 26 1 1 X 85 85 GLU N N 78 118.366 118.465 -0.099 1
1 935 . 26 1 1 X 86 86 ILE H H 79 8.432 8.321 0.111 1
1 936 . 26 1 1 X 86 86 ILE HA H 79 3.781 3.646 0.135 1
1 946 . 26 1 1 X 86 86 ILE C C 79 177.578 178.180 -0.602 1
1 947 . 26 1 1 X 86 86 ILE CA C 79 65.454 64.876 0.578 1
1 948 . 26 1 1 X 86 86 ILE CB C 79 37.940 38.025 -0.085 1
1 952 . 26 1 1 X 86 86 ILE N N 79 118.975 120.626 -1.651 1
1 953 . 26 1 1 X 87 87 LYS H H 80 9.096 8.584 0.512 1
1 954 . 26 1 1 X 87 87 LYS HA H 80 3.958 3.746 0.212 1
1 963 . 26 1 1 X 87 87 LYS C C 80 180.285 178.573 1.712 1
1 964 . 26 1 1 X 87 87 LYS CA C 80 60.290 59.002 1.288 1
1 965 . 26 1 1 X 87 87 LYS CB C 80 33.299 32.005 1.294 1
1 969 . 26 1 1 X 87 87 LYS N N 80 119.805 120.409 -0.604 1
1 970 . 26 1 1 X 88 88 GLU H H 81 8.508 7.965 0.543 1
1 971 . 26 1 1 X 88 88 GLU HA H 81 4.099 4.068 0.031 1
1 976 . 26 1 1 X 88 88 GLU C C 81 179.195 178.891 0.304 1
1 977 . 26 1 1 X 88 88 GLU CA C 81 59.632 59.130 0.502 1
1 978 . 26 1 1 X 88 88 GLU CB C 81 29.649 29.321 0.328 1
1 980 . 26 1 1 X 88 88 GLU N N 81 118.920 119.319 -0.399 1
1 981 . 26 1 1 X 89 89 TRP H H 82 8.682 8.073 0.609 1
1 982 . 26 1 1 X 89 89 TRP HA H 82 4.201 4.297 -0.096 1
1 991 . 26 1 1 X 89 89 TRP C C 82 179.807 177.799 2.008 1
1 992 . 26 1 1 X 89 89 TRP CA C 82 63.110 60.897 2.213 1
1 993 . 26 1 1 X 89 89 TRP CB C 82 29.285 29.713 -0.428 1
1 999 . 26 1 1 X 89 89 TRP N N 82 122.152 121.877 0.275 1
1 1001 . 26 1 1 X 90 90 ARG H H 83 9.025 8.603 0.422 1
1 1002 . 26 1 1 X 90 90 ARG HA H 83 3.295 3.924 -0.629 1
1 1009 . 26 1 1 X 90 90 ARG C C 83 178.120 178.038 0.082 1
1 1010 . 26 1 1 X 90 90 ARG CA C 83 60.895 59.751 1.144 1
1 1011 . 26 1 1 X 90 90 ARG CB C 83 28.668 29.643 -0.975 1
1 1014 . 26 1 1 X 90 90 ARG N N 83 118.380 119.358 -0.978 1
1 1015 . 26 1 1 X 91 91 ALA H H 84 7.759 8.126 -0.367 1
1 1016 . 26 1 1 X 91 91 ALA HA H 84 4.151 4.088 0.063 1
1 1020 . 26 1 1 X 91 91 ALA C C 84 181.466 179.601 1.865 1
1 1021 . 26 1 1 X 91 91 ALA CA C 84 55.217 54.767 0.450 1
1 1022 . 26 1 1 X 91 91 ALA CB C 84 18.175 18.151 0.024 1
1 1023 . 26 1 1 X 91 91 ALA N N 84 120.210 120.496 -0.286 1
1 1024 . 26 1 1 X 92 92 ALA H H 85 7.943 8.080 -0.137 1
1 1025 . 26 1 1 X 92 92 ALA HA H 85 4.081 3.984 0.097 1
1 1029 . 26 1 1 X 92 92 ALA C C 85 178.324 179.334 -1.010 1
1 1030 . 26 1 1 X 92 92 ALA CA C 85 54.244 55.105 -0.861 1
1 1031 . 26 1 1 X 92 92 ALA CB C 85 18.306 18.145 0.161 1
1 1032 . 26 1 1 X 92 92 ALA N N 85 120.470 120.033 0.437 1
1 1033 . 26 1 1 X 93 93 ASN H H 86 7.005 7.814 -0.809 1
1 1034 . 26 1 1 X 93 93 ASN HA H 86 4.475 4.441 0.034 1
1 1039 . 26 1 1 X 93 93 ASN C C 86 174.108 175.316 -1.208 1
1 1040 . 26 1 1 X 93 93 ASN CA C 86 53.347 53.628 -0.281 1
1 1041 . 26 1 1 X 93 93 ASN CB C 86 39.379 38.553 0.826 1
1 1043 . 26 1 1 X 93 93 ASN N N 86 113.372 114.157 -0.785 1
1 1045 . 26 1 1 X 94 94 GLY H H 87 7.535 7.881 -0.346 1
1 1046 . 26 1 1 X 94 94 GLY HA2 H 87 3.810 3.963 -0.153 1
1 1047 . 26 1 1 X 94 94 GLY HA3 H 87 3.810 3.968 -0.158 1
1 1048 . 26 1 1 X 94 94 GLY C C 87 174.481 174.000 0.481 1
1 1049 . 26 1 1 X 94 94 GLY CA C 87 47.230 45.158 2.072 1
1 1050 . 26 1 1 X 94 94 GLY N N 87 108.152 106.534 1.618 1
1 1051 . 26 1 1 X 95 95 LYS H H 88 8.037 8.284 -0.247 1
1 1052 . 26 1 1 X 95 95 LYS HA H 88 4.654 4.719 -0.065 1
1 1061 . 26 1 1 X 95 95 LYS CA C 88 53.357 52.943 0.414 1
1 1062 . 26 1 1 X 95 95 LYS CB C 88 32.741 33.548 -0.807 1
1 1066 . 26 1 1 X 95 95 LYS N N 88 119.147 120.157 -1.010 1
1 1067 . 26 1 1 X 96 96 PRO HA H 89 4.275 4.430 -0.155 1
1 1074 . 26 1 1 X 96 96 PRO C C 89 176.696 176.523 0.173 1
1 1075 . 26 1 1 X 96 96 PRO CA C 89 63.482 63.097 0.385 1
1 1076 . 26 1 1 X 96 96 PRO CB C 89 32.981 32.179 0.802 1
1 1079 . 26 1 1 X 97 97 GLY H H 90 8.336 8.240 0.096 1
1 1080 . 26 1 1 X 97 97 GLY HA2 H 90 4.074 3.737 0.337 1
1 1081 . 26 1 1 X 97 97 GLY HA3 H 90 3.615 3.831 -0.216 1
1 1082 . 26 1 1 X 97 97 GLY C C 90 173.388 173.490 -0.102 1
1 1083 . 26 1 1 X 97 97 GLY CA C 90 43.347 44.260 -0.913 1
1 1084 . 26 1 1 X 97 97 GLY N N 90 110.343 107.529 2.814 1
1 1085 . 26 1 1 X 98 98 PHE H H 91 7.749 7.970 -0.221 1
1 1086 . 26 1 1 X 98 98 PHE HA H 91 4.527 4.895 -0.368 1
1 1094 . 26 1 1 X 98 98 PHE C C 91 177.021 175.385 1.636 1
1 1095 . 26 1 1 X 98 98 PHE CA C 91 59.184 58.010 1.174 1
1 1096 . 26 1 1 X 98 98 PHE CB C 91 40.005 40.590 -0.585 1
1 1102 . 26 1 1 X 98 98 PHE N N 91 116.151 120.633 -4.482 1
1 1103 . 26 1 1 X 99 99 LYS H H 92 8.531 9.379 -0.848 1
1 1104 . 26 1 1 X 99 99 LYS HA H 92 4.178 5.094 -0.916 1
1 1113 . 26 1 1 X 99 99 LYS C C 92 176.542 175.543 0.999 1
1 1114 . 26 1 1 X 99 99 LYS CA C 92 57.292 55.198 2.094 1
1 1115 . 26 1 1 X 99 99 LYS CB C 92 32.875 34.938 -2.063 1
1 1119 . 26 1 1 X 99 99 LYS N N 92 123.602 118.784 4.818 1
1 1120 . 26 1 1 X 100 100 GLN H H 93 8.633 8.427 0.206 1
1 1121 . 26 1 1 X 100 100 GLN HA H 93 4.297 5.186 -0.889 1
1 1128 . 26 1 1 X 100 100 GLN C C 93 175.318 175.842 -0.524 1
1 1129 . 26 1 1 X 100 100 GLN CA C 93 56.479 54.377 2.102 1
1 1130 . 26 1 1 X 100 100 GLN CB C 93 29.751 31.084 -1.333 1
1 1133 . 26 1 1 X 100 100 GLN N N 93 125.089 120.237 4.852 1
1 12 . 27 1 1 X 10 10 LEU H H 3 8.121 8.640 -0.519 1
1 13 . 27 1 1 X 10 10 LEU HA H 3 4.240 5.286 -1.046 1
1 23 . 27 1 1 X 10 10 LEU C C 3 176.909 176.236 0.673 1
1 24 . 27 1 1 X 10 10 LEU CA C 3 54.748 53.573 1.175 1
1 25 . 27 1 1 X 10 10 LEU CB C 3 41.272 43.112 -1.840 1
1 29 . 27 1 1 X 10 10 LEU N N 3 123.688 122.461 1.227 1
1 30 . 27 1 1 X 11 11 LYS H H 4 7.677 8.693 -1.016 1
1 31 . 27 1 1 X 11 11 LYS HA H 4 4.404 4.615 -0.211 1
1 40 . 27 1 1 X 11 11 LYS C C 4 176.184 176.760 -0.576 1
1 41 . 27 1 1 X 11 11 LYS CA C 4 55.828 54.555 1.273 1
1 42 . 27 1 1 X 11 11 LYS CB C 4 33.482 33.948 -0.466 1
1 46 . 27 1 1 X 11 11 LYS N N 4 122.221 122.855 -0.634 1
1 47 . 27 1 1 X 12 12 ASN H H 5 8.538 8.777 -0.239 1
1 48 . 27 1 1 X 12 12 ASN HA H 5 4.685 5.234 -0.549 1
1 53 . 27 1 1 X 12 12 ASN C C 5 174.925 174.962 -0.037 1
1 54 . 27 1 1 X 12 12 ASN CA C 5 55.721 54.048 1.673 1
1 55 . 27 1 1 X 12 12 ASN CB C 5 40.409 41.071 -0.662 1
1 57 . 27 1 1 X 12 12 ASN N N 5 116.610 118.144 -1.534 1
1 59 . 27 1 1 X 13 13 SER H H 6 8.144 7.744 0.400 1
1 60 . 27 1 1 X 13 13 SER HA H 6 4.819 4.823 -0.004 1
1 63 . 27 1 1 X 13 13 SER C C 6 175.123 174.817 0.306 1
1 64 . 27 1 1 X 13 13 SER CA C 6 56.778 56.014 0.764 1
1 65 . 27 1 1 X 13 13 SER CB C 6 65.949 66.739 -0.790 1
1 66 . 27 1 1 X 13 13 SER N N 6 112.138 110.060 2.078 1
1 67 . 27 1 1 X 14 14 ILE H H 7 9.318 9.089 0.229 1
1 68 . 27 1 1 X 14 14 ILE HA H 7 3.966 4.305 -0.339 1
1 78 . 27 1 1 X 14 14 ILE C C 7 175.537 178.374 -2.837 1
1 79 . 27 1 1 X 14 14 ILE CA C 7 64.956 64.701 0.255 1
1 80 . 27 1 1 X 14 14 ILE CB C 7 37.062 37.572 -0.510 1
1 84 . 27 1 1 X 14 14 ILE N N 7 126.034 126.378 -0.344 1
1 85 . 27 1 1 X 15 15 SER H H 8 7.504 8.286 -0.782 1
1 86 . 27 1 1 X 15 15 SER HA H 8 4.694 4.376 0.318 1
1 89 . 27 1 1 X 15 15 SER C C 8 174.278 174.669 -0.391 1
1 90 . 27 1 1 X 15 15 SER CA C 8 59.481 61.186 -1.705 1
1 91 . 27 1 1 X 15 15 SER CB C 8 63.241 63.400 -0.159 1
1 92 . 27 1 1 X 15 15 SER N N 8 112.517 118.304 -5.787 1
1 93 . 27 1 1 X 16 16 ASP H H 9 7.783 7.777 0.006 1
1 94 . 27 1 1 X 16 16 ASP HA H 9 4.791 4.742 0.049 1
1 97 . 27 1 1 X 16 16 ASP C C 9 175.976 175.887 0.089 1
1 98 . 27 1 1 X 16 16 ASP CA C 9 55.243 53.507 1.736 1
1 99 . 27 1 1 X 16 16 ASP CB C 9 43.327 41.022 2.305 1
1 100 . 27 1 1 X 16 16 ASP N N 9 117.795 119.767 -1.972 1
1 101 . 27 1 1 X 17 17 TYR H H 10 8.279 7.814 0.465 1
1 102 . 27 1 1 X 17 17 TYR HA H 10 4.962 5.036 -0.074 1
1 109 . 27 1 1 X 17 17 TYR C C 10 177.535 176.185 1.350 1
1 110 . 27 1 1 X 17 17 TYR CA C 10 58.573 57.284 1.289 1
1 111 . 27 1 1 X 17 17 TYR CB C 10 41.015 39.845 1.170 1
1 116 . 27 1 1 X 17 17 TYR N N 10 120.484 119.192 1.292 1
1 117 . 27 1 1 X 18 18 THR H H 11 8.796 8.835 -0.039 1
1 118 . 27 1 1 X 18 18 THR HA H 11 5.040 5.057 -0.017 1
1 123 . 27 1 1 X 18 18 THR C C 11 176.099 176.000 0.099 1
1 124 . 27 1 1 X 18 18 THR CA C 11 60.775 60.558 0.217 1
1 125 . 27 1 1 X 18 18 THR CB C 11 71.041 71.079 -0.038 1
1 127 . 27 1 1 X 18 18 THR N N 11 112.143 116.988 -4.845 1
1 128 . 27 1 1 X 19 19 GLU H H 12 9.173 9.024 0.149 1
1 129 . 27 1 1 X 19 19 GLU HA H 12 2.757 3.214 -0.457 1
1 134 . 27 1 1 X 19 19 GLU C C 12 178.378 178.584 -0.206 1
1 135 . 27 1 1 X 19 19 GLU CA C 12 60.906 59.050 1.856 1
1 136 . 27 1 1 X 19 19 GLU CB C 12 29.442 28.939 0.503 1
1 138 . 27 1 1 X 19 19 GLU N N 12 122.386 120.991 1.395 1
1 139 . 27 1 1 X 20 20 ALA H H 13 8.356 8.202 0.154 1
1 140 . 27 1 1 X 20 20 ALA HA H 13 4.069 4.162 -0.093 1
1 144 . 27 1 1 X 20 20 ALA C C 13 181.816 179.407 2.409 1
1 145 . 27 1 1 X 20 20 ALA CA C 13 55.388 54.919 0.469 1
1 146 . 27 1 1 X 20 20 ALA CB C 13 18.308 18.439 -0.131 1
1 147 . 27 1 1 X 20 20 ALA N N 13 118.695 122.123 -3.428 1
1 148 . 27 1 1 X 21 21 GLU H H 14 8.013 7.918 0.095 1
1 149 . 27 1 1 X 21 21 GLU HA H 14 4.131 4.095 0.036 1
1 154 . 27 1 1 X 21 21 GLU C C 14 179.649 179.186 0.463 1
1 155 . 27 1 1 X 21 21 GLU CA C 14 58.916 58.983 -0.067 1
1 156 . 27 1 1 X 21 21 GLU CB C 14 31.632 29.561 2.071 1
1 158 . 27 1 1 X 21 21 GLU N N 14 118.978 119.346 -0.368 1
1 159 . 27 1 1 X 22 22 PHE H H 15 8.635 8.213 0.422 1
1 160 . 27 1 1 X 22 22 PHE HA H 15 4.049 4.078 -0.029 1
1 167 . 27 1 1 X 22 22 PHE C C 15 177.402 177.506 -0.104 1
1 168 . 27 1 1 X 22 22 PHE CA C 15 62.183 61.102 1.081 1
1 169 . 27 1 1 X 22 22 PHE CB C 15 40.545 38.715 1.830 1
1 174 . 27 1 1 X 22 22 PHE N N 15 124.639 122.055 2.584 1
1 175 . 27 1 1 X 23 23 VAL H H 16 8.647 8.505 0.142 1
1 176 . 27 1 1 X 23 23 VAL HA H 16 3.416 3.746 -0.330 1
1 184 . 27 1 1 X 23 23 VAL C C 16 177.798 177.781 0.017 1
1 185 . 27 1 1 X 23 23 VAL CA C 16 67.917 66.394 1.523 1
1 186 . 27 1 1 X 23 23 VAL CB C 16 31.579 31.332 0.247 1
1 189 . 27 1 1 X 23 23 VAL N N 16 119.817 118.612 1.205 1
1 190 . 27 1 1 X 24 24 GLN H H 17 7.569 8.269 -0.700 1
1 191 . 27 1 1 X 24 24 GLN HA H 17 3.943 3.969 -0.026 1
1 198 . 27 1 1 X 24 24 GLN C C 17 178.313 178.090 0.223 1
1 199 . 27 1 1 X 24 24 GLN CA C 17 59.289 59.120 0.169 1
1 200 . 27 1 1 X 24 24 GLN CB C 17 27.814 28.142 -0.328 1
1 203 . 27 1 1 X 24 24 GLN N N 17 117.658 121.044 -3.386 1
1 205 . 27 1 1 X 25 25 LEU H H 18 7.512 7.803 -0.291 1
1 206 . 27 1 1 X 25 25 LEU HA H 18 4.136 4.005 0.131 1
1 216 . 27 1 1 X 25 25 LEU C C 18 178.440 178.137 0.303 1
1 217 . 27 1 1 X 25 25 LEU CA C 18 58.651 58.149 0.502 1
1 218 . 27 1 1 X 25 25 LEU CB C 18 40.626 41.218 -0.592 1
1 222 . 27 1 1 X 25 25 LEU N N 18 122.037 120.887 1.150 1
1 223 . 27 1 1 X 26 26 LEU H H 19 7.761 8.207 -0.446 1
1 224 . 27 1 1 X 26 26 LEU HA H 19 3.748 3.594 0.154 1
1 234 . 27 1 1 X 26 26 LEU C C 19 180.080 179.073 1.007 1
1 235 . 27 1 1 X 26 26 LEU CA C 19 58.041 57.386 0.655 1
1 236 . 27 1 1 X 26 26 LEU CB C 19 41.009 41.163 -0.154 1
1 240 . 27 1 1 X 26 26 LEU N N 19 118.502 117.949 0.553 1
1 241 . 27 1 1 X 27 27 LYS H H 20 8.357 8.155 0.202 1
1 242 . 27 1 1 X 27 27 LYS HA H 20 4.019 3.896 0.123 1
1 251 . 27 1 1 X 27 27 LYS C C 20 179.559 179.590 -0.031 1
1 252 . 27 1 1 X 27 27 LYS CA C 20 59.648 59.963 -0.315 1
1 253 . 27 1 1 X 27 27 LYS CB C 20 31.995 31.954 0.041 1
1 257 . 27 1 1 X 27 27 LYS N N 20 120.427 118.295 2.132 1
1 258 . 27 1 1 X 28 28 GLU H H 21 8.123 7.685 0.438 1
1 259 . 27 1 1 X 28 28 GLU HA H 21 4.082 4.038 0.044 1
1 264 . 27 1 1 X 28 28 GLU C C 21 179.063 179.416 -0.353 1
1 265 . 27 1 1 X 28 28 GLU CA C 21 59.406 59.140 0.266 1
1 266 . 27 1 1 X 28 28 GLU CB C 21 29.146 29.207 -0.061 1
1 268 . 27 1 1 X 28 28 GLU N N 21 122.374 119.765 2.609 1
1 269 . 27 1 1 X 29 29 ILE H H 22 8.049 8.258 -0.209 1
1 270 . 27 1 1 X 29 29 ILE HA H 22 3.343 3.597 -0.254 1
1 280 . 27 1 1 X 29 29 ILE C C 22 177.151 177.526 -0.375 1
1 281 . 27 1 1 X 29 29 ILE CA C 22 66.435 65.200 1.235 1
1 282 . 27 1 1 X 29 29 ILE CB C 22 37.954 37.368 0.586 1
1 286 . 27 1 1 X 29 29 ILE N N 22 120.195 121.466 -1.271 1
1 287 . 27 1 1 X 30 30 GLU H H 23 7.820 8.373 -0.553 1
1 288 . 27 1 1 X 30 30 GLU HA H 23 3.983 3.781 0.202 1
1 293 . 27 1 1 X 30 30 GLU C C 23 178.990 178.773 0.217 1
1 294 . 27 1 1 X 30 30 GLU CA C 23 59.460 59.908 -0.448 1
1 295 . 27 1 1 X 30 30 GLU CB C 23 30.012 29.109 0.903 1
1 297 . 27 1 1 X 30 30 GLU N N 23 118.917 120.907 -1.990 1
1 298 . 27 1 1 X 31 31 LYS H H 24 7.678 7.845 -0.167 1
1 299 . 27 1 1 X 31 31 LYS HA H 24 4.059 3.957 0.102 1
1 308 . 27 1 1 X 31 31 LYS C C 24 179.231 179.311 -0.080 1
1 309 . 27 1 1 X 31 31 LYS CA C 24 59.152 59.794 -0.642 1
1 310 . 27 1 1 X 31 31 LYS CB C 24 32.712 32.129 0.583 1
1 314 . 27 1 1 X 31 31 LYS N N 24 118.807 119.620 -0.813 1
1 315 . 27 1 1 X 32 32 GLU H H 25 8.182 7.876 0.306 1
1 316 . 27 1 1 X 32 32 GLU HA H 25 4.309 4.126 0.183 1
1 321 . 27 1 1 X 32 32 GLU C C 25 177.897 179.057 -1.160 1
1 322 . 27 1 1 X 32 32 GLU CA C 25 57.449 58.862 -1.413 1
1 323 . 27 1 1 X 32 32 GLU CB C 25 29.522 29.229 0.293 1
1 325 . 27 1 1 X 32 32 GLU N N 25 118.578 119.644 -1.066 1
1 326 . 27 1 1 X 33 33 ASN H H 26 8.343 8.149 0.194 1
1 327 . 27 1 1 X 33 33 ASN HA H 26 4.608 4.459 0.149 1
1 330 . 27 1 1 X 33 33 ASN C C 26 176.524 177.353 -0.829 1
1 331 . 27 1 1 X 33 33 ASN CA C 26 55.463 56.199 -0.736 1
1 332 . 27 1 1 X 33 33 ASN CB C 26 39.074 38.752 0.322 1
1 333 . 27 1 1 X 33 33 ASN N N 26 118.483 118.611 -0.128 1
1 334 . 27 1 1 X 34 34 VAL H H 27 7.434 7.822 -0.388 1
1 335 . 27 1 1 X 34 34 VAL HA H 27 4.182 3.944 0.238 1
1 343 . 27 1 1 X 34 34 VAL C C 27 176.315 178.072 -1.757 1
1 344 . 27 1 1 X 34 34 VAL CA C 27 62.829 63.855 -1.026 1
1 345 . 27 1 1 X 34 34 VAL CB C 27 32.178 31.423 0.755 1
1 348 . 27 1 1 X 34 34 VAL N N 27 114.036 116.477 -2.441 1
1 349 . 27 1 1 X 35 35 ALA H H 28 7.648 7.403 0.245 1
1 350 . 27 1 1 X 35 35 ALA HA H 28 4.346 4.194 0.152 1
1 354 . 27 1 1 X 35 35 ALA C C 28 177.126 176.892 0.234 1
1 355 . 27 1 1 X 35 35 ALA CA C 28 52.712 53.332 -0.620 1
1 356 . 27 1 1 X 35 35 ALA CB C 28 19.915 19.522 0.393 1
1 357 . 27 1 1 X 35 35 ALA N N 28 124.066 123.766 0.300 1
1 358 . 27 1 1 X 36 36 ALA H H 29 8.337 7.861 0.476 1
1 359 . 27 1 1 X 36 36 ALA HA H 29 4.260 3.912 0.348 1
1 363 . 27 1 1 X 36 36 ALA C C 29 177.999 176.144 1.855 1
1 364 . 27 1 1 X 36 36 ALA CA C 29 53.660 52.855 0.805 1
1 365 . 27 1 1 X 36 36 ALA CB C 29 19.175 17.513 1.662 1
1 366 . 27 1 1 X 36 36 ALA N N 29 121.695 119.482 2.213 1
1 367 . 27 1 1 X 37 37 THR H H 30 8.093 7.566 0.527 1
1 368 . 27 1 1 X 37 37 THR HA H 30 4.533 4.804 -0.271 1
1 373 . 27 1 1 X 37 37 THR C C 30 174.715 173.900 0.815 1
1 374 . 27 1 1 X 37 37 THR CA C 30 60.860 60.431 0.429 1
1 375 . 27 1 1 X 37 37 THR CB C 30 70.424 70.064 0.360 1
1 377 . 27 1 1 X 37 37 THR N N 30 110.112 107.652 2.460 1
1 378 . 27 1 1 X 38 38 ASP H H 31 8.488 8.437 0.051 1
1 379 . 27 1 1 X 38 38 ASP HA H 31 4.685 4.831 -0.146 1
1 382 . 27 1 1 X 38 38 ASP C C 31 175.896 177.363 -1.467 1
1 383 . 27 1 1 X 38 38 ASP CA C 31 54.704 54.547 0.157 1
1 384 . 27 1 1 X 38 38 ASP CB C 31 41.389 42.890 -1.501 1
1 385 . 27 1 1 X 38 38 ASP N N 31 121.899 120.074 1.825 1
1 386 . 27 1 1 X 39 39 ASP H H 32 8.368 8.464 -0.096 1
1 387 . 27 1 1 X 39 39 ASP HA H 32 4.459 4.383 0.076 1
1 390 . 27 1 1 X 39 39 ASP C C 32 177.499 178.392 -0.893 1
1 391 . 27 1 1 X 39 39 ASP CA C 32 56.443 57.300 -0.857 1
1 392 . 27 1 1 X 39 39 ASP CB C 32 40.737 40.922 -0.185 1
1 393 . 27 1 1 X 39 39 ASP N N 32 118.770 120.926 -2.156 1
1 394 . 27 1 1 X 40 40 VAL H H 33 7.963 7.783 0.180 1
1 395 . 27 1 1 X 40 40 VAL HA H 33 3.800 3.965 -0.165 1
1 403 . 27 1 1 X 40 40 VAL C C 33 177.362 177.534 -0.172 1
1 404 . 27 1 1 X 40 40 VAL CA C 33 64.970 64.621 0.349 1
1 405 . 27 1 1 X 40 40 VAL CB C 33 32.256 32.329 -0.073 1
1 408 . 27 1 1 X 40 40 VAL N N 33 119.409 118.533 0.876 1
1 409 . 27 1 1 X 41 41 LEU H H 34 8.508 8.045 0.463 1
1 410 . 27 1 1 X 41 41 LEU HA H 34 3.857 3.897 -0.040 1
1 420 . 27 1 1 X 41 41 LEU C C 34 177.633 177.944 -0.311 1
1 421 . 27 1 1 X 41 41 LEU CA C 34 58.428 58.589 -0.161 1
1 422 . 27 1 1 X 41 41 LEU CB C 34 41.755 41.261 0.494 1
1 426 . 27 1 1 X 41 41 LEU N N 34 122.150 122.539 -0.389 1
1 427 . 27 1 1 X 42 42 ASP H H 35 8.236 8.546 -0.310 1
1 428 . 27 1 1 X 42 42 ASP HA H 35 4.370 4.421 -0.051 1
1 431 . 27 1 1 X 42 42 ASP C C 35 179.155 178.957 0.198 1
1 432 . 27 1 1 X 42 42 ASP CA C 35 57.925 57.187 0.738 1
1 433 . 27 1 1 X 42 42 ASP CB C 35 40.417 40.828 -0.411 1
1 434 . 27 1 1 X 42 42 ASP N N 35 116.374 118.510 -2.136 1
1 435 . 27 1 1 X 43 43 VAL H H 36 7.320 8.050 -0.730 1
1 436 . 27 1 1 X 43 43 VAL HA H 36 3.782 3.598 0.184 1
1 444 . 27 1 1 X 43 43 VAL C C 36 179.309 178.225 1.084 1
1 445 . 27 1 1 X 43 43 VAL CA C 36 66.080 66.715 -0.635 1
1 446 . 27 1 1 X 43 43 VAL CB C 36 32.245 31.473 0.772 1
1 449 . 27 1 1 X 43 43 VAL N N 36 119.754 120.148 -0.394 1
1 450 . 27 1 1 X 44 44 LEU H H 37 8.122 8.496 -0.374 1
1 451 . 27 1 1 X 44 44 LEU HA H 37 4.008 4.028 -0.020 1
1 461 . 27 1 1 X 44 44 LEU C C 37 179.518 179.276 0.242 1
1 462 . 27 1 1 X 44 44 LEU CA C 37 58.048 57.833 0.215 1
1 463 . 27 1 1 X 44 44 LEU CB C 37 42.374 41.715 0.659 1
1 467 . 27 1 1 X 44 44 LEU N N 37 120.608 118.921 1.687 1
1 468 . 27 1 1 X 45 45 LEU H H 38 8.898 8.421 0.477 1
1 469 . 27 1 1 X 45 45 LEU HA H 38 4.030 3.985 0.045 1
1 479 . 27 1 1 X 45 45 LEU C C 38 179.166 179.336 -0.170 1
1 480 . 27 1 1 X 45 45 LEU CA C 38 58.184 58.199 -0.015 1
1 481 . 27 1 1 X 45 45 LEU CB C 38 41.506 41.329 0.177 1
1 485 . 27 1 1 X 45 45 LEU N N 38 119.199 118.732 0.467 1
1 486 . 27 1 1 X 46 46 GLU H H 39 7.964 8.121 -0.157 1
1 487 . 27 1 1 X 46 46 GLU HA H 39 4.066 4.008 0.058 1
1 492 . 27 1 1 X 46 46 GLU C C 39 178.995 179.072 -0.077 1
1 493 . 27 1 1 X 46 46 GLU CA C 39 59.769 59.704 0.065 1
1 494 . 27 1 1 X 46 46 GLU CB C 39 29.577 29.624 -0.047 1
1 496 . 27 1 1 X 46 46 GLU N N 39 119.334 118.465 0.869 1
1 497 . 27 1 1 X 47 47 HIS H H 40 8.009 8.697 -0.688 1
1 498 . 27 1 1 X 47 47 HIS HA H 40 4.416 4.372 0.044 1
1 503 . 27 1 1 X 47 47 HIS C C 40 176.115 176.917 -0.802 1
1 504 . 27 1 1 X 47 47 HIS CA C 40 60.151 58.870 1.281 1
1 505 . 27 1 1 X 47 47 HIS CB C 40 30.389 30.374 0.015 1
1 508 . 27 1 1 X 47 47 HIS N N 40 119.610 119.855 -0.245 1
1 509 . 27 1 1 X 48 48 PHE H H 41 8.711 8.341 0.370 1
1 510 . 27 1 1 X 48 48 PHE HA H 41 3.808 4.087 -0.279 1
1 518 . 27 1 1 X 48 48 PHE C C 41 178.023 177.305 0.718 1
1 519 . 27 1 1 X 48 48 PHE CA C 41 62.654 61.335 1.319 1
1 520 . 27 1 1 X 48 48 PHE CB C 41 39.408 39.124 0.284 1
1 526 . 27 1 1 X 48 48 PHE N N 41 118.110 120.241 -2.131 1
1 527 . 27 1 1 X 49 49 VAL H H 42 8.439 8.062 0.377 1
1 528 . 27 1 1 X 49 49 VAL HA H 42 3.359 3.466 -0.107 1
1 536 . 27 1 1 X 49 49 VAL C C 42 178.340 177.578 0.762 1
1 537 . 27 1 1 X 49 49 VAL CA C 42 67.276 64.310 2.966 1
1 538 . 27 1 1 X 49 49 VAL CB C 42 32.235 31.341 0.894 1
1 541 . 27 1 1 X 49 49 VAL N N 42 121.301 118.613 2.688 1
1 542 . 27 1 1 X 50 50 LYS H H 43 8.091 8.760 -0.669 1
1 543 . 27 1 1 X 50 50 LYS HA H 43 3.973 4.023 -0.050 1
1 552 . 27 1 1 X 50 50 LYS C C 43 178.985 178.192 0.793 1
1 553 . 27 1 1 X 50 50 LYS CA C 43 59.580 58.938 0.642 1
1 554 . 27 1 1 X 50 50 LYS CB C 43 32.784 31.765 1.019 1
1 558 . 27 1 1 X 50 50 LYS N N 43 120.887 119.838 1.049 1
1 559 . 27 1 1 X 51 51 ILE H H 44 8.347 7.273 1.074 1
1 560 . 27 1 1 X 51 51 ILE HA H 44 4.159 3.870 0.289 1
1 570 . 27 1 1 X 51 51 ILE C C 44 178.121 177.811 0.310 1
1 571 . 27 1 1 X 51 51 ILE CA C 44 62.328 64.108 -1.780 1
1 572 . 27 1 1 X 51 51 ILE CB C 44 37.576 37.675 -0.099 1
1 576 . 27 1 1 X 51 51 ILE N N 44 111.354 116.827 -5.473 1
1 577 . 27 1 1 X 52 52 THR H H 45 7.588 7.428 0.160 1
1 578 . 27 1 1 X 52 52 THR HA H 45 3.683 4.233 -0.550 1
1 583 . 27 1 1 X 52 52 THR C C 45 176.285 174.274 2.011 1
1 584 . 27 1 1 X 52 52 THR CA C 45 65.803 65.164 0.639 1
1 585 . 27 1 1 X 52 52 THR CB C 45 69.689 69.189 0.500 1
1 587 . 27 1 1 X 52 52 THR N N 45 109.646 116.815 -7.169 1
1 588 . 27 1 1 X 53 53 GLU H H 46 7.366 7.995 -0.629 1
1 589 . 27 1 1 X 53 53 GLU HA H 46 3.836 4.162 -0.326 1
1 594 . 27 1 1 X 53 53 GLU C C 46 173.418 174.809 -1.391 1
1 595 . 27 1 1 X 53 53 GLU CA C 46 57.709 57.480 0.229 1
1 596 . 27 1 1 X 53 53 GLU CB C 46 29.067 27.363 1.704 1
1 598 . 27 1 1 X 53 53 GLU N N 46 112.606 119.571 -6.965 1
1 599 . 27 1 1 X 54 54 HIS H H 47 7.127 7.533 -0.406 1
1 600 . 27 1 1 X 54 54 HIS HA H 47 3.070 3.131 -0.061 1
1 605 . 27 1 1 X 54 54 HIS CA C 47 55.826 54.825 1.001 1
1 606 . 27 1 1 X 54 54 HIS CB C 47 32.124 30.887 1.237 1
1 609 . 27 1 1 X 54 54 HIS N N 47 119.651 119.501 0.150 1
1 610 . 27 1 1 X 55 55 PRO HA H 48 4.143 4.382 -0.239 1
1 617 . 27 1 1 X 55 55 PRO CA C 48 64.843 64.235 0.608 1
1 618 . 27 1 1 X 55 55 PRO CB C 48 32.350 31.554 0.796 1
1 621 . 27 1 1 X 56 56 ASP H H 49 10.605 7.566 3.039 1
1 622 . 27 1 1 X 56 56 ASP HA H 49 4.712 5.035 -0.323 1
1 625 . 27 1 1 X 56 56 ASP C C 49 178.187 177.401 0.786 1
1 626 . 27 1 1 X 56 56 ASP CA C 49 54.989 53.750 1.239 1
1 627 . 27 1 1 X 56 56 ASP CB C 49 40.657 41.996 -1.339 1
1 628 . 27 1 1 X 56 56 ASP N N 49 121.022 118.211 2.811 1
1 629 . 27 1 1 X 57 57 GLY H H 50 8.011 8.138 -0.127 1
1 630 . 27 1 1 X 57 57 GLY HA2 H 50 4.122 3.832 0.290 1
1 631 . 27 1 1 X 57 57 GLY HA3 H 50 3.701 3.878 -0.177 1
1 632 . 27 1 1 X 57 57 GLY C C 50 175.337 175.965 -0.628 1
1 633 . 27 1 1 X 57 57 GLY CA C 50 47.435 47.485 -0.050 1
1 634 . 27 1 1 X 57 57 GLY N N 50 108.190 109.325 -1.135 1
1 635 . 27 1 1 X 58 58 THR H H 51 9.047 8.285 0.762 1
1 636 . 27 1 1 X 58 58 THR HA H 51 3.730 4.227 -0.497 1
1 641 . 27 1 1 X 58 58 THR C C 51 176.082 176.180 -0.098 1
1 642 . 27 1 1 X 58 58 THR CA C 51 64.795 65.300 -0.505 1
1 643 . 27 1 1 X 58 58 THR CB C 51 68.398 68.926 -0.528 1
1 645 . 27 1 1 X 58 58 THR N N 51 114.996 117.097 -2.101 1
1 646 . 27 1 1 X 59 59 ALA H H 52 8.142 8.205 -0.063 1
1 647 . 27 1 1 X 59 59 ALA HA H 52 4.205 4.279 -0.074 1
1 651 . 27 1 1 X 59 59 ALA C C 52 179.373 180.056 -0.683 1
1 652 . 27 1 1 X 59 59 ALA CA C 52 55.625 55.276 0.349 1
1 653 . 27 1 1 X 59 59 ALA CB C 52 18.416 18.090 0.326 1
1 654 . 27 1 1 X 59 59 ALA N N 52 125.565 123.565 2.000 1
1 655 . 27 1 1 X 60 60 LEU H H 53 7.399 8.366 -0.967 1
1 656 . 27 1 1 X 60 60 LEU HA H 53 3.835 3.965 -0.130 1
1 666 . 27 1 1 X 60 60 LEU C C 53 178.601 179.256 -0.655 1
1 667 . 27 1 1 X 60 60 LEU CA C 53 58.031 58.359 -0.328 1
1 668 . 27 1 1 X 60 60 LEU CB C 53 43.487 41.477 2.010 1
1 672 . 27 1 1 X 60 60 LEU N N 53 114.763 118.072 -3.309 1
1 673 . 27 1 1 X 61 61 ILE H H 54 6.855 7.609 -0.754 1
1 674 . 27 1 1 X 61 61 ILE HA H 54 3.518 3.429 0.089 1
1 684 . 27 1 1 X 61 61 ILE C C 54 178.595 177.676 0.919 1
1 685 . 27 1 1 X 61 61 ILE CA C 54 62.989 64.966 -1.977 1
1 686 . 27 1 1 X 61 61 ILE CB C 54 38.424 37.412 1.012 1
1 690 . 27 1 1 X 61 61 ILE N N 54 114.394 120.162 -5.768 1
1 691 . 27 1 1 X 62 62 TYR H H 55 7.489 7.673 -0.184 1
1 692 . 27 1 1 X 62 62 TYR HA H 55 4.243 4.255 -0.012 1
1 699 . 27 1 1 X 62 62 TYR C C 55 178.634 178.764 -0.130 1
1 700 . 27 1 1 X 62 62 TYR CA C 55 61.518 60.661 0.857 1
1 701 . 27 1 1 X 62 62 TYR CB C 55 37.566 37.894 -0.328 1
1 706 . 27 1 1 X 62 62 TYR N N 55 117.898 119.419 -1.521 1
1 707 . 27 1 1 X 63 63 GLU H H 56 8.659 8.927 -0.268 1
1 708 . 27 1 1 X 63 63 GLU HA H 56 4.441 4.138 0.303 1
1 713 . 27 1 1 X 63 63 GLU C C 56 177.785 178.933 -1.148 1
1 714 . 27 1 1 X 63 63 GLU CA C 56 57.658 59.385 -1.727 1
1 715 . 27 1 1 X 63 63 GLU CB C 56 29.034 29.252 -0.218 1
1 717 . 27 1 1 X 63 63 GLU N N 56 119.392 117.699 1.693 1
1 718 . 27 1 1 X 64 64 ALA H H 57 7.164 8.410 -1.246 1
1 719 . 27 1 1 X 64 64 ALA HA H 57 4.021 4.145 -0.124 1
1 723 . 27 1 1 X 64 64 ALA C C 57 180.327 180.051 0.276 1
1 724 . 27 1 1 X 64 64 ALA CA C 57 55.759 54.999 0.760 1
1 725 . 27 1 1 X 64 64 ALA CB C 57 18.615 17.953 0.662 1
1 726 . 27 1 1 X 64 64 ALA N N 57 121.778 121.945 -0.167 1
1 727 . 27 1 1 X 65 65 ALA H H 58 8.076 7.975 0.101 1
1 728 . 27 1 1 X 65 65 ALA HA H 58 4.137 4.051 0.086 1
1 732 . 27 1 1 X 65 65 ALA C C 58 180.248 179.331 0.917 1
1 733 . 27 1 1 X 65 65 ALA CA C 58 55.104 54.925 0.179 1
1 734 . 27 1 1 X 65 65 ALA CB C 58 18.071 18.660 -0.589 1
1 735 . 27 1 1 X 65 65 ALA N N 58 120.307 120.330 -0.023 1
1 736 . 27 1 1 X 66 66 ALA H H 59 7.893 7.892 0.001 1
1 737 . 27 1 1 X 66 66 ALA HA H 59 4.170 4.079 0.091 1
1 741 . 27 1 1 X 66 66 ALA C C 59 180.838 179.738 1.100 1
1 742 . 27 1 1 X 66 66 ALA CA C 59 54.800 55.094 -0.294 1
1 743 . 27 1 1 X 66 66 ALA CB C 59 18.184 17.937 0.247 1
1 744 . 27 1 1 X 66 66 ALA N N 59 122.126 119.773 2.353 1
1 745 . 27 1 1 X 67 67 ARG H H 60 8.139 8.485 -0.346 1
1 746 . 27 1 1 X 67 67 ARG HA H 60 4.065 3.968 0.097 1
1 753 . 27 1 1 X 67 67 ARG C C 60 178.779 178.543 0.236 1
1 754 . 27 1 1 X 67 67 ARG CA C 60 59.282 59.821 -0.539 1
1 755 . 27 1 1 X 67 67 ARG CB C 60 30.863 29.931 0.932 1
1 758 . 27 1 1 X 67 67 ARG N N 60 118.948 118.096 0.852 1
1 759 . 27 1 1 X 68 68 ALA H H 61 7.891 7.876 0.015 1
1 760 . 27 1 1 X 68 68 ALA HA H 61 4.141 4.172 -0.031 1
1 764 . 27 1 1 X 68 68 ALA C C 61 179.329 179.658 -0.329 1
1 765 . 27 1 1 X 68 68 ALA CA C 61 54.340 54.949 -0.609 1
1 766 . 27 1 1 X 68 68 ALA CB C 61 18.528 18.246 0.282 1
1 767 . 27 1 1 X 68 68 ALA N N 61 121.473 122.336 -0.863 1
1 768 . 27 1 1 X 69 69 ALA H H 62 7.663 7.810 -0.147 1
1 769 . 27 1 1 X 69 69 ALA HA H 62 4.133 4.038 0.095 1
1 773 . 27 1 1 X 69 69 ALA C C 62 178.591 179.443 -0.852 1
1 774 . 27 1 1 X 69 69 ALA CA C 62 53.863 55.039 -1.176 1
1 775 . 27 1 1 X 69 69 ALA CB C 62 18.438 18.244 0.194 1
1 776 . 27 1 1 X 69 69 ALA N N 62 118.937 120.650 -1.713 1
1 777 . 27 1 1 X 70 70 ALA H H 63 7.488 7.429 0.059 1
1 778 . 27 1 1 X 70 70 ALA HA H 63 4.280 4.173 0.107 1
1 782 . 27 1 1 X 70 70 ALA C C 63 177.318 177.719 -0.401 1
1 783 . 27 1 1 X 70 70 ALA CA C 63 52.981 54.686 -1.705 1
1 784 . 27 1 1 X 70 70 ALA CB C 63 19.324 19.441 -0.117 1
1 785 . 27 1 1 X 70 70 ALA N N 63 118.642 117.688 0.954 1
1 786 . 27 1 1 X 71 71 ASN H H 64 7.631 8.298 -0.667 1
1 787 . 27 1 1 X 71 71 ASN HA H 64 5.077 4.528 0.549 1
1 792 . 27 1 1 X 71 71 ASN CA C 64 50.877 53.944 -3.067 1
1 793 . 27 1 1 X 71 71 ASN CB C 64 39.243 36.945 2.298 1
1 795 . 27 1 1 X 71 71 ASN N N 64 116.008 115.620 0.388 1
1 797 . 27 1 1 X 72 72 PRO HA H 65 4.468 4.556 -0.088 1
1 804 . 27 1 1 X 72 72 PRO CA C 65 64.454 63.562 0.892 1
1 805 . 27 1 1 X 72 72 PRO CB C 65 32.007 31.865 0.142 1
1 808 . 27 1 1 X 73 73 GLY H H 66 8.608 7.691 0.917 1
1 809 . 27 1 1 X 73 73 GLY HA2 H 66 3.978 4.057 -0.079 1
1 810 . 27 1 1 X 73 73 GLY HA3 H 66 3.978 4.058 -0.080 1
1 811 . 27 1 1 X 73 73 GLY C C 66 175.054 174.278 0.776 1
1 812 . 27 1 1 X 73 73 GLY CA C 66 45.521 44.042 1.479 1
1 813 . 27 1 1 X 73 73 GLY N N 66 109.435 109.232 0.203 1
1 814 . 27 1 1 X 74 74 GLY H H 67 8.085 8.524 -0.439 1
1 815 . 27 1 1 X 74 74 GLY HA2 H 67 4.132 4.069 0.063 1
1 816 . 27 1 1 X 74 74 GLY HA3 H 67 3.896 4.070 -0.174 1
1 817 . 27 1 1 X 74 74 GLY C C 67 174.008 172.655 1.353 1
1 818 . 27 1 1 X 74 74 GLY CA C 67 45.450 44.828 0.622 1
1 819 . 27 1 1 X 74 74 GLY N N 67 108.472 109.048 -0.576 1
1 820 . 27 1 1 X 75 75 ASP H H 68 8.307 8.506 -0.199 1
1 821 . 27 1 1 X 75 75 ASP HA H 68 4.646 5.132 -0.486 1
1 824 . 27 1 1 X 75 75 ASP C C 68 176.933 176.805 0.128 1
1 825 . 27 1 1 X 75 75 ASP CA C 68 54.226 51.930 2.296 1
1 826 . 27 1 1 X 75 75 ASP CB C 68 41.486 43.132 -1.646 1
1 827 . 27 1 1 X 75 75 ASP N N 68 119.941 119.829 0.112 1
1 828 . 27 1 1 X 76 76 GLY H H 69 8.502 8.563 -0.061 1
1 829 . 27 1 1 X 76 76 GLY HA2 H 69 3.966 4.068 -0.102 1
1 830 . 27 1 1 X 76 76 GLY HA3 H 69 3.951 4.073 -0.122 1
1 831 . 27 1 1 X 76 76 GLY C C 69 174.771 174.483 0.288 1
1 832 . 27 1 1 X 76 76 GLY CA C 69 45.744 44.979 0.765 1
1 833 . 27 1 1 X 76 76 GLY N N 69 109.061 112.307 -3.246 1
1 834 . 27 1 1 X 77 77 GLY H H 70 8.367 7.882 0.485 1
1 835 . 27 1 1 X 77 77 GLY HA2 H 70 4.092 3.916 0.176 1
1 836 . 27 1 1 X 77 77 GLY HA3 H 70 3.920 3.916 0.004 1
1 837 . 27 1 1 X 77 77 GLY C C 70 174.782 175.001 -0.219 1
1 838 . 27 1 1 X 77 77 GLY CA C 70 45.327 45.420 -0.093 1
1 839 . 27 1 1 X 77 77 GLY N N 70 108.393 107.823 0.570 1
1 840 . 27 1 1 X 78 78 GLY H H 71 8.263 8.557 -0.294 1
1 841 . 27 1 1 X 78 78 GLY HA2 H 71 4.205 4.121 0.084 1
1 842 . 27 1 1 X 78 78 GLY HA3 H 71 4.092 4.133 -0.041 1
1 843 . 27 1 1 X 78 78 GLY CA C 71 45.581 44.700 0.881 1
1 844 . 27 1 1 X 78 78 GLY N N 71 108.388 109.971 -1.583 1
1 845 . 27 1 1 X 79 79 PRO HA H 72 4.199 4.336 -0.137 1
1 852 . 27 1 1 X 79 79 PRO C C 72 178.000 177.859 0.141 1
1 853 . 27 1 1 X 79 79 PRO CA C 72 65.568 65.070 0.498 1
1 854 . 27 1 1 X 79 79 PRO CB C 72 32.864 31.929 0.935 1
1 857 . 27 1 1 X 80 80 GLU H H 73 9.283 8.451 0.832 1
1 858 . 27 1 1 X 80 80 GLU HA H 73 3.833 4.299 -0.466 1
1 863 . 27 1 1 X 80 80 GLU C C 73 179.587 177.828 1.759 1
1 864 . 27 1 1 X 80 80 GLU CA C 73 61.125 57.026 4.099 1
1 865 . 27 1 1 X 80 80 GLU CB C 73 28.576 29.428 -0.852 1
1 867 . 27 1 1 X 80 80 GLU N N 73 117.078 115.947 1.131 1
1 868 . 27 1 1 X 81 81 GLY H H 74 7.926 8.077 -0.151 1
1 869 . 27 1 1 X 81 81 GLY HA2 H 74 3.964 4.010 -0.046 1
1 870 . 27 1 1 X 81 81 GLY HA3 H 74 3.914 4.026 -0.112 1
1 871 . 27 1 1 X 81 81 GLY C C 74 176.538 175.429 1.109 1
1 872 . 27 1 1 X 81 81 GLY CA C 74 47.084 45.923 1.161 1
1 873 . 27 1 1 X 81 81 GLY N N 74 108.577 108.490 0.087 1
1 874 . 27 1 1 X 82 82 ILE H H 75 7.593 8.029 -0.436 1
1 875 . 27 1 1 X 82 82 ILE HA H 75 3.873 3.867 0.006 1
1 885 . 27 1 1 X 82 82 ILE C C 75 178.147 177.872 0.275 1
1 886 . 27 1 1 X 82 82 ILE CA C 75 65.342 64.847 0.495 1
1 887 . 27 1 1 X 82 82 ILE CB C 75 38.163 37.641 0.522 1
1 891 . 27 1 1 X 82 82 ILE N N 75 123.572 122.581 0.991 1
1 892 . 27 1 1 X 83 83 VAL H H 76 8.135 8.111 0.024 1
1 893 . 27 1 1 X 83 83 VAL HA H 76 3.575 4.137 -0.562 1
1 901 . 27 1 1 X 83 83 VAL C C 76 177.094 177.991 -0.897 1
1 902 . 27 1 1 X 83 83 VAL CA C 76 68.153 65.957 2.196 1
1 903 . 27 1 1 X 83 83 VAL CB C 76 31.653 31.548 0.105 1
1 906 . 27 1 1 X 83 83 VAL N N 76 118.553 118.248 0.305 1
1 907 . 27 1 1 X 84 84 LYS H H 77 7.803 8.125 -0.322 1
1 908 . 27 1 1 X 84 84 LYS HA H 77 4.006 4.094 -0.088 1
1 917 . 27 1 1 X 84 84 LYS C C 77 178.064 178.965 -0.901 1
1 918 . 27 1 1 X 84 84 LYS CA C 77 60.516 59.732 0.784 1
1 919 . 27 1 1 X 84 84 LYS CB C 77 32.849 32.382 0.467 1
1 923 . 27 1 1 X 84 84 LYS N N 77 119.572 121.115 -1.543 1
1 924 . 27 1 1 X 85 85 GLU H H 78 7.629 7.674 -0.045 1
1 925 . 27 1 1 X 85 85 GLU HA H 78 4.246 4.090 0.156 1
1 930 . 27 1 1 X 85 85 GLU C C 78 179.834 179.566 0.268 1
1 931 . 27 1 1 X 85 85 GLU CA C 78 59.752 59.337 0.415 1
1 932 . 27 1 1 X 85 85 GLU CB C 78 29.189 29.544 -0.355 1
1 934 . 27 1 1 X 85 85 GLU N N 78 118.366 118.622 -0.256 1
1 935 . 27 1 1 X 86 86 ILE H H 79 8.432 8.318 0.114 1
1 936 . 27 1 1 X 86 86 ILE HA H 79 3.781 3.548 0.233 1
1 946 . 27 1 1 X 86 86 ILE C C 79 177.578 177.988 -0.410 1
1 947 . 27 1 1 X 86 86 ILE CA C 79 65.454 65.061 0.393 1
1 948 . 27 1 1 X 86 86 ILE CB C 79 37.940 37.702 0.238 1
1 952 . 27 1 1 X 86 86 ILE N N 79 118.975 120.321 -1.346 1
1 953 . 27 1 1 X 87 87 LYS H H 80 9.096 8.570 0.526 1
1 954 . 27 1 1 X 87 87 LYS HA H 80 3.958 3.616 0.342 1
1 963 . 27 1 1 X 87 87 LYS C C 80 180.285 178.501 1.784 1
1 964 . 27 1 1 X 87 87 LYS CA C 80 60.290 58.956 1.334 1
1 965 . 27 1 1 X 87 87 LYS CB C 80 33.299 31.968 1.331 1
1 969 . 27 1 1 X 87 87 LYS N N 80 119.805 120.424 -0.619 1
1 970 . 27 1 1 X 88 88 GLU H H 81 8.508 8.247 0.261 1
1 971 . 27 1 1 X 88 88 GLU HA H 81 4.099 4.107 -0.008 1
1 976 . 27 1 1 X 88 88 GLU C C 81 179.195 178.829 0.366 1
1 977 . 27 1 1 X 88 88 GLU CA C 81 59.632 59.028 0.604 1
1 978 . 27 1 1 X 88 88 GLU CB C 81 29.649 29.446 0.203 1
1 980 . 27 1 1 X 88 88 GLU N N 81 118.920 119.170 -0.250 1
1 981 . 27 1 1 X 89 89 TRP H H 82 8.682 8.236 0.446 1
1 982 . 27 1 1 X 89 89 TRP HA H 82 4.201 4.290 -0.089 1
1 991 . 27 1 1 X 89 89 TRP C C 82 179.807 177.929 1.878 1
1 992 . 27 1 1 X 89 89 TRP CA C 82 63.110 60.881 2.229 1
1 993 . 27 1 1 X 89 89 TRP CB C 82 29.285 29.751 -0.466 1
1 999 . 27 1 1 X 89 89 TRP N N 82 122.152 122.377 -0.225 1
1 1001 . 27 1 1 X 90 90 ARG H H 83 9.025 8.251 0.774 1
1 1002 . 27 1 1 X 90 90 ARG HA H 83 3.295 3.905 -0.610 1
1 1009 . 27 1 1 X 90 90 ARG C C 83 178.120 177.883 0.237 1
1 1010 . 27 1 1 X 90 90 ARG CA C 83 60.895 59.795 1.100 1
1 1011 . 27 1 1 X 90 90 ARG CB C 83 28.668 29.769 -1.101 1
1 1014 . 27 1 1 X 90 90 ARG N N 83 118.380 119.555 -1.175 1
1 1015 . 27 1 1 X 91 91 ALA H H 84 7.759 8.386 -0.627 1
1 1016 . 27 1 1 X 91 91 ALA HA H 84 4.151 4.074 0.077 1
1 1020 . 27 1 1 X 91 91 ALA C C 84 181.466 179.872 1.594 1
1 1021 . 27 1 1 X 91 91 ALA CA C 84 55.217 54.860 0.357 1
1 1022 . 27 1 1 X 91 91 ALA CB C 84 18.175 18.053 0.122 1
1 1023 . 27 1 1 X 91 91 ALA N N 84 120.210 120.533 -0.323 1
1 1024 . 27 1 1 X 92 92 ALA H H 85 7.943 8.255 -0.312 1
1 1025 . 27 1 1 X 92 92 ALA HA H 85 4.081 4.007 0.074 1
1 1029 . 27 1 1 X 92 92 ALA C C 85 178.324 178.659 -0.335 1
1 1030 . 27 1 1 X 92 92 ALA CA C 85 54.244 54.996 -0.752 1
1 1031 . 27 1 1 X 92 92 ALA CB C 85 18.306 18.154 0.152 1
1 1032 . 27 1 1 X 92 92 ALA N N 85 120.470 119.469 1.001 1
1 1033 . 27 1 1 X 93 93 ASN H H 86 7.005 7.328 -0.323 1
1 1034 . 27 1 1 X 93 93 ASN HA H 86 4.475 4.765 -0.290 1
1 1039 . 27 1 1 X 93 93 ASN C C 86 174.108 175.419 -1.311 1
1 1040 . 27 1 1 X 93 93 ASN CA C 86 53.347 52.602 0.745 1
1 1041 . 27 1 1 X 93 93 ASN CB C 86 39.379 38.481 0.898 1
1 1043 . 27 1 1 X 93 93 ASN N N 86 113.372 114.256 -0.884 1
1 1045 . 27 1 1 X 94 94 GLY H H 87 7.535 8.080 -0.545 1
1 1046 . 27 1 1 X 94 94 GLY HA2 H 87 3.810 3.890 -0.080 1
1 1047 . 27 1 1 X 94 94 GLY HA3 H 87 3.810 3.891 -0.081 1
1 1048 . 27 1 1 X 94 94 GLY C C 87 174.481 174.439 0.042 1
1 1049 . 27 1 1 X 94 94 GLY CA C 87 47.230 46.362 0.868 1
1 1050 . 27 1 1 X 94 94 GLY N N 87 108.152 108.671 -0.519 1
1 1051 . 27 1 1 X 95 95 LYS H H 88 8.037 8.293 -0.256 1
1 1052 . 27 1 1 X 95 95 LYS HA H 88 4.654 4.676 -0.022 1
1 1061 . 27 1 1 X 95 95 LYS CA C 88 53.357 53.002 0.355 1
1 1062 . 27 1 1 X 95 95 LYS CB C 88 32.741 33.291 -0.550 1
1 1066 . 27 1 1 X 95 95 LYS N N 88 119.147 119.508 -0.361 1
1 1067 . 27 1 1 X 96 96 PRO HA H 89 4.275 4.355 -0.080 1
1 1074 . 27 1 1 X 96 96 PRO C C 89 176.696 176.870 -0.174 1
1 1075 . 27 1 1 X 96 96 PRO CA C 89 63.482 63.164 0.318 1
1 1076 . 27 1 1 X 96 96 PRO CB C 89 32.981 31.777 1.204 1
1 1079 . 27 1 1 X 97 97 GLY H H 90 8.336 8.483 -0.147 1
1 1080 . 27 1 1 X 97 97 GLY HA2 H 90 4.074 3.761 0.313 1
1 1081 . 27 1 1 X 97 97 GLY HA3 H 90 3.615 3.851 -0.236 1
1 1082 . 27 1 1 X 97 97 GLY C C 90 173.388 173.481 -0.093 1
1 1083 . 27 1 1 X 97 97 GLY CA C 90 43.347 44.187 -0.840 1
1 1084 . 27 1 1 X 97 97 GLY N N 90 110.343 107.642 2.701 1
1 1085 . 27 1 1 X 98 98 PHE H H 91 7.749 7.984 -0.235 1
1 1086 . 27 1 1 X 98 98 PHE HA H 91 4.527 4.771 -0.244 1
1 1094 . 27 1 1 X 98 98 PHE C C 91 177.021 175.773 1.248 1
1 1095 . 27 1 1 X 98 98 PHE CA C 91 59.184 58.173 1.011 1
1 1096 . 27 1 1 X 98 98 PHE CB C 91 40.005 39.578 0.427 1
1 1102 . 27 1 1 X 98 98 PHE N N 91 116.151 120.915 -4.764 1
1 1103 . 27 1 1 X 99 99 LYS H H 92 8.531 9.043 -0.512 1
1 1104 . 27 1 1 X 99 99 LYS HA H 92 4.178 4.573 -0.395 1
1 1113 . 27 1 1 X 99 99 LYS C C 92 176.542 175.887 0.655 1
1 1114 . 27 1 1 X 99 99 LYS CA C 92 57.292 55.639 1.653 1
1 1115 . 27 1 1 X 99 99 LYS CB C 92 32.875 33.551 -0.676 1
1 1119 . 27 1 1 X 99 99 LYS N N 92 123.602 120.209 3.393 1
1 1120 . 27 1 1 X 100 100 GLN H H 93 8.633 8.444 0.189 1
1 1121 . 27 1 1 X 100 100 GLN HA H 93 4.297 5.281 -0.984 1
1 1128 . 27 1 1 X 100 100 GLN C C 93 175.318 175.991 -0.673 1
1 1129 . 27 1 1 X 100 100 GLN CA C 93 56.479 54.153 2.326 1
1 1130 . 27 1 1 X 100 100 GLN CB C 93 29.751 31.874 -2.123 1
1 1133 . 27 1 1 X 100 100 GLN N N 93 125.089 119.134 5.955 1
1 12 . 28 1 1 X 10 10 LEU H H 3 8.121 8.758 -0.637 1
1 13 . 28 1 1 X 10 10 LEU HA H 3 4.240 5.361 -1.121 1
1 23 . 28 1 1 X 10 10 LEU C C 3 176.909 176.311 0.598 1
1 24 . 28 1 1 X 10 10 LEU CA C 3 54.748 53.523 1.225 1
1 25 . 28 1 1 X 10 10 LEU CB C 3 41.272 43.912 -2.640 1
1 29 . 28 1 1 X 10 10 LEU N N 3 123.688 122.413 1.275 1
1 30 . 28 1 1 X 11 11 LYS H H 4 7.677 8.836 -1.159 1
1 31 . 28 1 1 X 11 11 LYS HA H 4 4.404 4.644 -0.240 1
1 40 . 28 1 1 X 11 11 LYS C C 4 176.184 176.883 -0.699 1
1 41 . 28 1 1 X 11 11 LYS CA C 4 55.828 54.658 1.170 1
1 42 . 28 1 1 X 11 11 LYS CB C 4 33.482 34.075 -0.593 1
1 46 . 28 1 1 X 11 11 LYS N N 4 122.221 122.500 -0.279 1
1 47 . 28 1 1 X 12 12 ASN H H 5 8.538 8.776 -0.238 1
1 48 . 28 1 1 X 12 12 ASN HA H 5 4.685 5.054 -0.369 1
1 53 . 28 1 1 X 12 12 ASN C C 5 174.925 175.014 -0.089 1
1 54 . 28 1 1 X 12 12 ASN CA C 5 55.721 53.921 1.800 1
1 55 . 28 1 1 X 12 12 ASN CB C 5 40.409 40.894 -0.485 1
1 57 . 28 1 1 X 12 12 ASN N N 5 116.610 118.035 -1.425 1
1 59 . 28 1 1 X 13 13 SER H H 6 8.144 7.741 0.403 1
1 60 . 28 1 1 X 13 13 SER HA H 6 4.819 4.846 -0.027 1
1 63 . 28 1 1 X 13 13 SER C C 6 175.123 175.054 0.069 1
1 64 . 28 1 1 X 13 13 SER CA C 6 56.778 55.771 1.007 1
1 65 . 28 1 1 X 13 13 SER CB C 6 65.949 67.072 -1.123 1
1 66 . 28 1 1 X 13 13 SER N N 6 112.138 110.298 1.840 1
1 67 . 28 1 1 X 14 14 ILE H H 7 9.318 8.860 0.458 1
1 68 . 28 1 1 X 14 14 ILE HA H 7 3.966 4.292 -0.326 1
1 78 . 28 1 1 X 14 14 ILE C C 7 175.537 178.287 -2.750 1
1 79 . 28 1 1 X 14 14 ILE CA C 7 64.956 63.857 1.099 1
1 80 . 28 1 1 X 14 14 ILE CB C 7 37.062 38.099 -1.037 1
1 84 . 28 1 1 X 14 14 ILE N N 7 126.034 125.029 1.005 1
1 85 . 28 1 1 X 15 15 SER H H 8 7.504 8.287 -0.783 1
1 86 . 28 1 1 X 15 15 SER HA H 8 4.694 4.375 0.319 1
1 89 . 28 1 1 X 15 15 SER C C 8 174.278 174.631 -0.353 1
1 90 . 28 1 1 X 15 15 SER CA C 8 59.481 61.207 -1.726 1
1 91 . 28 1 1 X 15 15 SER CB C 8 63.241 63.321 -0.080 1
1 92 . 28 1 1 X 15 15 SER N N 8 112.517 117.834 -5.317 1
1 93 . 28 1 1 X 16 16 ASP H H 9 7.783 7.642 0.141 1
1 94 . 28 1 1 X 16 16 ASP HA H 9 4.791 4.745 0.046 1
1 97 . 28 1 1 X 16 16 ASP C C 9 175.976 175.826 0.150 1
1 98 . 28 1 1 X 16 16 ASP CA C 9 55.243 53.420 1.823 1
1 99 . 28 1 1 X 16 16 ASP CB C 9 43.327 41.101 2.226 1
1 100 . 28 1 1 X 16 16 ASP N N 9 117.795 119.803 -2.008 1
1 101 . 28 1 1 X 17 17 TYR H H 10 8.279 7.909 0.370 1
1 102 . 28 1 1 X 17 17 TYR HA H 10 4.962 5.073 -0.111 1
1 109 . 28 1 1 X 17 17 TYR C C 10 177.535 176.125 1.410 1
1 110 . 28 1 1 X 17 17 TYR CA C 10 58.573 57.491 1.082 1
1 111 . 28 1 1 X 17 17 TYR CB C 10 41.015 40.149 0.866 1
1 116 . 28 1 1 X 17 17 TYR N N 10 120.484 119.272 1.212 1
1 117 . 28 1 1 X 18 18 THR H H 11 8.796 8.856 -0.060 1
1 118 . 28 1 1 X 18 18 THR HA H 11 5.040 5.148 -0.108 1
1 123 . 28 1 1 X 18 18 THR C C 11 176.099 175.895 0.204 1
1 124 . 28 1 1 X 18 18 THR CA C 11 60.775 60.573 0.202 1
1 125 . 28 1 1 X 18 18 THR CB C 11 71.041 71.801 -0.760 1
1 127 . 28 1 1 X 18 18 THR N N 11 112.143 116.430 -4.287 1
1 128 . 28 1 1 X 19 19 GLU H H 12 9.173 8.926 0.247 1
1 129 . 28 1 1 X 19 19 GLU HA H 12 2.757 3.445 -0.688 1
1 134 . 28 1 1 X 19 19 GLU C C 12 178.378 178.575 -0.197 1
1 135 . 28 1 1 X 19 19 GLU CA C 12 60.906 59.400 1.506 1
1 136 . 28 1 1 X 19 19 GLU CB C 12 29.442 29.258 0.184 1
1 138 . 28 1 1 X 19 19 GLU N N 12 122.386 121.265 1.121 1
1 139 . 28 1 1 X 20 20 ALA H H 13 8.356 8.058 0.298 1
1 140 . 28 1 1 X 20 20 ALA HA H 13 4.069 4.120 -0.051 1
1 144 . 28 1 1 X 20 20 ALA C C 13 181.816 179.705 2.111 1
1 145 . 28 1 1 X 20 20 ALA CA C 13 55.388 54.910 0.478 1
1 146 . 28 1 1 X 20 20 ALA CB C 13 18.308 18.426 -0.118 1
1 147 . 28 1 1 X 20 20 ALA N N 13 118.695 121.889 -3.194 1
1 148 . 28 1 1 X 21 21 GLU H H 14 8.013 8.124 -0.111 1
1 149 . 28 1 1 X 21 21 GLU HA H 14 4.131 4.114 0.017 1
1 154 . 28 1 1 X 21 21 GLU C C 14 179.649 179.331 0.318 1
1 155 . 28 1 1 X 21 21 GLU CA C 14 58.916 58.868 0.048 1
1 156 . 28 1 1 X 21 21 GLU CB C 14 31.632 29.426 2.206 1
1 158 . 28 1 1 X 21 21 GLU N N 14 118.978 119.479 -0.501 1
1 159 . 28 1 1 X 22 22 PHE H H 15 8.635 8.105 0.530 1
1 160 . 28 1 1 X 22 22 PHE HA H 15 4.049 4.231 -0.182 1
1 167 . 28 1 1 X 22 22 PHE C C 15 177.402 177.526 -0.124 1
1 168 . 28 1 1 X 22 22 PHE CA C 15 62.183 61.160 1.023 1
1 169 . 28 1 1 X 22 22 PHE CB C 15 40.545 38.815 1.730 1
1 174 . 28 1 1 X 22 22 PHE N N 15 124.639 122.451 2.188 1
1 175 . 28 1 1 X 23 23 VAL H H 16 8.647 8.612 0.035 1
1 176 . 28 1 1 X 23 23 VAL HA H 16 3.416 3.729 -0.313 1
1 184 . 28 1 1 X 23 23 VAL C C 16 177.798 177.814 -0.016 1
1 185 . 28 1 1 X 23 23 VAL CA C 16 67.917 66.494 1.423 1
1 186 . 28 1 1 X 23 23 VAL CB C 16 31.579 31.247 0.332 1
1 189 . 28 1 1 X 23 23 VAL N N 16 119.817 118.800 1.017 1
1 190 . 28 1 1 X 24 24 GLN H H 17 7.569 8.230 -0.661 1
1 191 . 28 1 1 X 24 24 GLN HA H 17 3.943 3.951 -0.008 1
1 198 . 28 1 1 X 24 24 GLN C C 17 178.313 178.000 0.313 1
1 199 . 28 1 1 X 24 24 GLN CA C 17 59.289 58.999 0.290 1
1 200 . 28 1 1 X 24 24 GLN CB C 17 27.814 28.140 -0.326 1
1 203 . 28 1 1 X 24 24 GLN N N 17 117.658 120.844 -3.186 1
1 205 . 28 1 1 X 25 25 LEU H H 18 7.512 7.943 -0.431 1
1 206 . 28 1 1 X 25 25 LEU HA H 18 4.136 4.012 0.124 1
1 216 . 28 1 1 X 25 25 LEU C C 18 178.440 178.004 0.436 1
1 217 . 28 1 1 X 25 25 LEU CA C 18 58.651 58.153 0.498 1
1 218 . 28 1 1 X 25 25 LEU CB C 18 40.626 41.324 -0.698 1
1 222 . 28 1 1 X 25 25 LEU N N 18 122.037 120.981 1.056 1
1 223 . 28 1 1 X 26 26 LEU H H 19 7.761 8.169 -0.408 1
1 224 . 28 1 1 X 26 26 LEU HA H 19 3.748 3.600 0.148 1
1 234 . 28 1 1 X 26 26 LEU C C 19 180.080 179.159 0.921 1
1 235 . 28 1 1 X 26 26 LEU CA C 19 58.041 57.563 0.478 1
1 236 . 28 1 1 X 26 26 LEU CB C 19 41.009 41.216 -0.207 1
1 240 . 28 1 1 X 26 26 LEU N N 19 118.502 118.074 0.428 1
1 241 . 28 1 1 X 27 27 LYS H H 20 8.357 8.167 0.190 1
1 242 . 28 1 1 X 27 27 LYS HA H 20 4.019 4.181 -0.162 1
1 251 . 28 1 1 X 27 27 LYS C C 20 179.559 179.632 -0.073 1
1 252 . 28 1 1 X 27 27 LYS CA C 20 59.648 60.125 -0.477 1
1 253 . 28 1 1 X 27 27 LYS CB C 20 31.995 31.921 0.074 1
1 257 . 28 1 1 X 27 27 LYS N N 20 120.427 118.250 2.177 1
1 258 . 28 1 1 X 28 28 GLU H H 21 8.123 7.824 0.299 1
1 259 . 28 1 1 X 28 28 GLU HA H 21 4.082 4.009 0.073 1
1 264 . 28 1 1 X 28 28 GLU C C 21 179.063 179.692 -0.629 1
1 265 . 28 1 1 X 28 28 GLU CA C 21 59.406 59.135 0.271 1
1 266 . 28 1 1 X 28 28 GLU CB C 21 29.146 29.475 -0.329 1
1 268 . 28 1 1 X 28 28 GLU N N 21 122.374 120.135 2.239 1
1 269 . 28 1 1 X 29 29 ILE H H 22 8.049 8.093 -0.044 1
1 270 . 28 1 1 X 29 29 ILE HA H 22 3.343 3.895 -0.552 1
1 280 . 28 1 1 X 29 29 ILE C C 22 177.151 177.569 -0.418 1
1 281 . 28 1 1 X 29 29 ILE CA C 22 66.435 65.241 1.194 1
1 282 . 28 1 1 X 29 29 ILE CB C 22 37.954 37.130 0.824 1
1 286 . 28 1 1 X 29 29 ILE N N 22 120.195 121.493 -1.298 1
1 287 . 28 1 1 X 30 30 GLU H H 23 7.820 8.336 -0.516 1
1 288 . 28 1 1 X 30 30 GLU HA H 23 3.983 3.768 0.215 1
1 293 . 28 1 1 X 30 30 GLU C C 23 178.990 179.100 -0.110 1
1 294 . 28 1 1 X 30 30 GLU CA C 23 59.460 59.790 -0.330 1
1 295 . 28 1 1 X 30 30 GLU CB C 23 30.012 29.471 0.541 1
1 297 . 28 1 1 X 30 30 GLU N N 23 118.917 119.004 -0.087 1
1 298 . 28 1 1 X 31 31 LYS H H 24 7.678 7.726 -0.048 1
1 299 . 28 1 1 X 31 31 LYS HA H 24 4.059 3.943 0.116 1
1 308 . 28 1 1 X 31 31 LYS C C 24 179.231 179.120 0.111 1
1 309 . 28 1 1 X 31 31 LYS CA C 24 59.152 59.756 -0.604 1
1 310 . 28 1 1 X 31 31 LYS CB C 24 32.712 32.414 0.298 1
1 314 . 28 1 1 X 31 31 LYS N N 24 118.807 120.218 -1.411 1
1 315 . 28 1 1 X 32 32 GLU H H 25 8.182 7.964 0.218 1
1 316 . 28 1 1 X 32 32 GLU HA H 25 4.309 4.055 0.254 1
1 321 . 28 1 1 X 32 32 GLU C C 25 177.897 179.063 -1.166 1
1 322 . 28 1 1 X 32 32 GLU CA C 25 57.449 59.323 -1.874 1
1 323 . 28 1 1 X 32 32 GLU CB C 25 29.522 29.453 0.069 1
1 325 . 28 1 1 X 32 32 GLU N N 25 118.578 117.651 0.927 1
1 326 . 28 1 1 X 33 33 ASN H H 26 8.343 8.416 -0.073 1
1 327 . 28 1 1 X 33 33 ASN HA H 26 4.608 4.331 0.277 1
1 330 . 28 1 1 X 33 33 ASN C C 26 176.524 177.213 -0.689 1
1 331 . 28 1 1 X 33 33 ASN CA C 26 55.463 56.497 -1.034 1
1 332 . 28 1 1 X 33 33 ASN CB C 26 39.074 39.046 0.028 1
1 333 . 28 1 1 X 33 33 ASN N N 26 118.483 118.705 -0.222 1
1 334 . 28 1 1 X 34 34 VAL H H 27 7.434 7.532 -0.098 1
1 335 . 28 1 1 X 34 34 VAL HA H 27 4.182 3.889 0.293 1
1 343 . 28 1 1 X 34 34 VAL C C 27 176.315 177.860 -1.545 1
1 344 . 28 1 1 X 34 34 VAL CA C 27 62.829 63.945 -1.116 1
1 345 . 28 1 1 X 34 34 VAL CB C 27 32.178 31.225 0.953 1
1 348 . 28 1 1 X 34 34 VAL N N 27 114.036 116.214 -2.178 1
1 349 . 28 1 1 X 35 35 ALA H H 28 7.648 7.742 -0.094 1
1 350 . 28 1 1 X 35 35 ALA HA H 28 4.346 4.250 0.096 1
1 354 . 28 1 1 X 35 35 ALA C C 28 177.126 176.827 0.299 1
1 355 . 28 1 1 X 35 35 ALA CA C 28 52.712 52.757 -0.045 1
1 356 . 28 1 1 X 35 35 ALA CB C 28 19.915 19.529 0.386 1
1 357 . 28 1 1 X 35 35 ALA N N 28 124.066 123.517 0.549 1
1 358 . 28 1 1 X 36 36 ALA H H 29 8.337 7.910 0.427 1
1 359 . 28 1 1 X 36 36 ALA HA H 29 4.260 3.901 0.359 1
1 363 . 28 1 1 X 36 36 ALA C C 29 177.999 176.227 1.772 1
1 364 . 28 1 1 X 36 36 ALA CA C 29 53.660 52.804 0.856 1
1 365 . 28 1 1 X 36 36 ALA CB C 29 19.175 17.723 1.452 1
1 366 . 28 1 1 X 36 36 ALA N N 29 121.695 119.748 1.947 1
1 367 . 28 1 1 X 37 37 THR H H 30 8.093 7.391 0.702 1
1 368 . 28 1 1 X 37 37 THR HA H 30 4.533 4.788 -0.255 1
1 373 . 28 1 1 X 37 37 THR C C 30 174.715 173.498 1.217 1
1 374 . 28 1 1 X 37 37 THR CA C 30 60.860 60.500 0.360 1
1 375 . 28 1 1 X 37 37 THR CB C 30 70.424 70.561 -0.137 1
1 377 . 28 1 1 X 37 37 THR N N 30 110.112 107.948 2.164 1
1 378 . 28 1 1 X 38 38 ASP H H 31 8.488 8.868 -0.380 1
1 379 . 28 1 1 X 38 38 ASP HA H 31 4.685 4.942 -0.257 1
1 382 . 28 1 1 X 38 38 ASP C C 31 175.896 176.349 -0.453 1
1 383 . 28 1 1 X 38 38 ASP CA C 31 54.704 55.238 -0.534 1
1 384 . 28 1 1 X 38 38 ASP CB C 31 41.389 42.899 -1.510 1
1 385 . 28 1 1 X 38 38 ASP N N 31 121.899 119.026 2.873 1
1 386 . 28 1 1 X 39 39 ASP H H 32 8.368 8.238 0.130 1
1 387 . 28 1 1 X 39 39 ASP HA H 32 4.459 4.382 0.077 1
1 390 . 28 1 1 X 39 39 ASP C C 32 177.499 178.343 -0.844 1
1 391 . 28 1 1 X 39 39 ASP CA C 32 56.443 57.596 -1.153 1
1 392 . 28 1 1 X 39 39 ASP CB C 32 40.737 41.627 -0.890 1
1 393 . 28 1 1 X 39 39 ASP N N 32 118.770 120.569 -1.799 1
1 394 . 28 1 1 X 40 40 VAL H H 33 7.963 8.023 -0.060 1
1 395 . 28 1 1 X 40 40 VAL HA H 33 3.800 3.837 -0.037 1
1 403 . 28 1 1 X 40 40 VAL C C 33 177.362 177.315 0.047 1
1 404 . 28 1 1 X 40 40 VAL CA C 33 64.970 64.975 -0.005 1
1 405 . 28 1 1 X 40 40 VAL CB C 33 32.256 31.389 0.867 1
1 408 . 28 1 1 X 40 40 VAL N N 33 119.409 118.080 1.329 1
1 409 . 28 1 1 X 41 41 LEU H H 34 8.508 8.009 0.499 1
1 410 . 28 1 1 X 41 41 LEU HA H 34 3.857 4.417 -0.560 1
1 420 . 28 1 1 X 41 41 LEU C C 34 177.633 177.929 -0.296 1
1 421 . 28 1 1 X 41 41 LEU CA C 34 58.428 58.571 -0.143 1
1 422 . 28 1 1 X 41 41 LEU CB C 34 41.755 41.591 0.164 1
1 426 . 28 1 1 X 41 41 LEU N N 34 122.150 122.680 -0.530 1
1 427 . 28 1 1 X 42 42 ASP H H 35 8.236 8.758 -0.522 1
1 428 . 28 1 1 X 42 42 ASP HA H 35 4.370 4.449 -0.079 1
1 431 . 28 1 1 X 42 42 ASP C C 35 179.155 178.793 0.362 1
1 432 . 28 1 1 X 42 42 ASP CA C 35 57.925 56.805 1.120 1
1 433 . 28 1 1 X 42 42 ASP CB C 35 40.417 40.966 -0.549 1
1 434 . 28 1 1 X 42 42 ASP N N 35 116.374 118.388 -2.014 1
1 435 . 28 1 1 X 43 43 VAL H H 36 7.320 7.847 -0.527 1
1 436 . 28 1 1 X 43 43 VAL HA H 36 3.782 3.660 0.122 1
1 444 . 28 1 1 X 43 43 VAL C C 36 179.309 178.120 1.189 1
1 445 . 28 1 1 X 43 43 VAL CA C 36 66.080 66.570 -0.490 1
1 446 . 28 1 1 X 43 43 VAL CB C 36 32.245 31.750 0.495 1
1 449 . 28 1 1 X 43 43 VAL N N 36 119.754 119.764 -0.010 1
1 450 . 28 1 1 X 44 44 LEU H H 37 8.122 8.651 -0.529 1
1 451 . 28 1 1 X 44 44 LEU HA H 37 4.008 4.050 -0.042 1
1 461 . 28 1 1 X 44 44 LEU C C 37 179.518 179.350 0.168 1
1 462 . 28 1 1 X 44 44 LEU CA C 37 58.048 57.788 0.260 1
1 463 . 28 1 1 X 44 44 LEU CB C 37 42.374 41.557 0.817 1
1 467 . 28 1 1 X 44 44 LEU N N 37 120.608 118.807 1.801 1
1 468 . 28 1 1 X 45 45 LEU H H 38 8.898 8.435 0.463 1
1 469 . 28 1 1 X 45 45 LEU HA H 38 4.030 4.009 0.021 1
1 479 . 28 1 1 X 45 45 LEU C C 38 179.166 179.509 -0.343 1
1 480 . 28 1 1 X 45 45 LEU CA C 38 58.184 58.162 0.022 1
1 481 . 28 1 1 X 45 45 LEU CB C 38 41.506 41.388 0.118 1
1 485 . 28 1 1 X 45 45 LEU N N 38 119.199 118.660 0.539 1
1 486 . 28 1 1 X 46 46 GLU H H 39 7.964 8.038 -0.074 1
1 487 . 28 1 1 X 46 46 GLU HA H 39 4.066 4.048 0.018 1
1 492 . 28 1 1 X 46 46 GLU C C 39 178.995 179.032 -0.037 1
1 493 . 28 1 1 X 46 46 GLU CA C 39 59.769 59.684 0.085 1
1 494 . 28 1 1 X 46 46 GLU CB C 39 29.577 29.429 0.148 1
1 496 . 28 1 1 X 46 46 GLU N N 39 119.334 118.799 0.535 1
1 497 . 28 1 1 X 47 47 HIS H H 40 8.009 8.695 -0.686 1
1 498 . 28 1 1 X 47 47 HIS HA H 40 4.416 4.384 0.032 1
1 503 . 28 1 1 X 47 47 HIS C C 40 176.115 176.923 -0.808 1
1 504 . 28 1 1 X 47 47 HIS CA C 40 60.151 58.843 1.308 1
1 505 . 28 1 1 X 47 47 HIS CB C 40 30.389 30.435 -0.046 1
1 508 . 28 1 1 X 47 47 HIS N N 40 119.610 120.124 -0.514 1
1 509 . 28 1 1 X 48 48 PHE H H 41 8.711 8.583 0.128 1
1 510 . 28 1 1 X 48 48 PHE HA H 41 3.808 4.131 -0.323 1
1 518 . 28 1 1 X 48 48 PHE C C 41 178.023 177.349 0.674 1
1 519 . 28 1 1 X 48 48 PHE CA C 41 62.654 61.366 1.288 1
1 520 . 28 1 1 X 48 48 PHE CB C 41 39.408 39.197 0.211 1
1 526 . 28 1 1 X 48 48 PHE N N 41 118.110 120.250 -2.140 1
1 527 . 28 1 1 X 49 49 VAL H H 42 8.439 8.072 0.367 1
1 528 . 28 1 1 X 49 49 VAL HA H 42 3.359 3.815 -0.456 1
1 536 . 28 1 1 X 49 49 VAL C C 42 178.340 177.510 0.830 1
1 537 . 28 1 1 X 49 49 VAL CA C 42 67.276 64.445 2.831 1
1 538 . 28 1 1 X 49 49 VAL CB C 42 32.235 31.391 0.844 1
1 541 . 28 1 1 X 49 49 VAL N N 42 121.301 118.554 2.747 1
1 542 . 28 1 1 X 50 50 LYS H H 43 8.091 8.585 -0.494 1
1 543 . 28 1 1 X 50 50 LYS HA H 43 3.973 4.034 -0.061 1
1 552 . 28 1 1 X 50 50 LYS C C 43 178.985 178.397 0.588 1
1 553 . 28 1 1 X 50 50 LYS CA C 43 59.580 58.910 0.670 1
1 554 . 28 1 1 X 50 50 LYS CB C 43 32.784 31.859 0.925 1
1 558 . 28 1 1 X 50 50 LYS N N 43 120.887 119.836 1.051 1
1 559 . 28 1 1 X 51 51 ILE H H 44 8.347 7.520 0.827 1
1 560 . 28 1 1 X 51 51 ILE HA H 44 4.159 3.906 0.253 1
1 570 . 28 1 1 X 51 51 ILE C C 44 178.121 177.903 0.218 1
1 571 . 28 1 1 X 51 51 ILE CA C 44 62.328 64.472 -2.144 1
1 572 . 28 1 1 X 51 51 ILE CB C 44 37.576 37.275 0.301 1
1 576 . 28 1 1 X 51 51 ILE N N 44 111.354 116.740 -5.386 1
1 577 . 28 1 1 X 52 52 THR H H 45 7.588 7.587 0.001 1
1 578 . 28 1 1 X 52 52 THR HA H 45 3.683 4.112 -0.429 1
1 583 . 28 1 1 X 52 52 THR C C 45 176.285 175.392 0.893 1
1 584 . 28 1 1 X 52 52 THR CA C 45 65.803 63.695 2.108 1
1 585 . 28 1 1 X 52 52 THR CB C 45 69.689 69.944 -0.255 1
1 587 . 28 1 1 X 52 52 THR N N 45 109.646 112.638 -2.992 1
1 588 . 28 1 1 X 53 53 GLU H H 46 7.366 8.064 -0.698 1
1 589 . 28 1 1 X 53 53 GLU HA H 46 3.836 4.136 -0.300 1
1 594 . 28 1 1 X 53 53 GLU C C 46 173.418 174.755 -1.337 1
1 595 . 28 1 1 X 53 53 GLU CA C 46 57.709 57.506 0.203 1
1 596 . 28 1 1 X 53 53 GLU CB C 46 29.067 27.316 1.751 1
1 598 . 28 1 1 X 53 53 GLU N N 46 112.606 114.448 -1.842 1
1 599 . 28 1 1 X 54 54 HIS H H 47 7.127 7.201 -0.074 1
1 600 . 28 1 1 X 54 54 HIS HA H 47 3.070 3.362 -0.292 1
1 605 . 28 1 1 X 54 54 HIS CA C 47 55.826 54.866 0.960 1
1 606 . 28 1 1 X 54 54 HIS CB C 47 32.124 30.875 1.249 1
1 609 . 28 1 1 X 54 54 HIS N N 47 119.651 119.742 -0.091 1
1 610 . 28 1 1 X 55 55 PRO HA H 48 4.143 4.330 -0.187 1
1 617 . 28 1 1 X 55 55 PRO CA C 48 64.843 64.445 0.398 1
1 618 . 28 1 1 X 55 55 PRO CB C 48 32.350 31.542 0.808 1
1 621 . 28 1 1 X 56 56 ASP H H 49 10.605 7.414 3.191 1
1 622 . 28 1 1 X 56 56 ASP HA H 49 4.712 5.014 -0.302 1
1 625 . 28 1 1 X 56 56 ASP C C 49 178.187 177.347 0.840 1
1 626 . 28 1 1 X 56 56 ASP CA C 49 54.989 53.704 1.285 1
1 627 . 28 1 1 X 56 56 ASP CB C 49 40.657 41.945 -1.288 1
1 628 . 28 1 1 X 56 56 ASP N N 49 121.022 117.871 3.151 1
1 629 . 28 1 1 X 57 57 GLY H H 50 8.011 8.136 -0.125 1
1 630 . 28 1 1 X 57 57 GLY HA2 H 50 4.122 3.905 0.217 1
1 631 . 28 1 1 X 57 57 GLY HA3 H 50 3.701 3.963 -0.262 1
1 632 . 28 1 1 X 57 57 GLY C C 50 175.337 175.946 -0.609 1
1 633 . 28 1 1 X 57 57 GLY CA C 50 47.435 47.457 -0.022 1
1 634 . 28 1 1 X 57 57 GLY N N 50 108.190 109.248 -1.058 1
1 635 . 28 1 1 X 58 58 THR H H 51 9.047 8.251 0.796 1
1 636 . 28 1 1 X 58 58 THR HA H 51 3.730 4.266 -0.536 1
1 641 . 28 1 1 X 58 58 THR C C 51 176.082 176.213 -0.131 1
1 642 . 28 1 1 X 58 58 THR CA C 51 64.795 65.327 -0.532 1
1 643 . 28 1 1 X 58 58 THR CB C 51 68.398 68.847 -0.449 1
1 645 . 28 1 1 X 58 58 THR N N 51 114.996 117.320 -2.324 1
1 646 . 28 1 1 X 59 59 ALA H H 52 8.142 8.179 -0.037 1
1 647 . 28 1 1 X 59 59 ALA HA H 52 4.205 4.161 0.044 1
1 651 . 28 1 1 X 59 59 ALA C C 52 179.373 180.172 -0.799 1
1 652 . 28 1 1 X 59 59 ALA CA C 52 55.625 55.202 0.423 1
1 653 . 28 1 1 X 59 59 ALA CB C 52 18.416 18.187 0.229 1
1 654 . 28 1 1 X 59 59 ALA N N 52 125.565 123.423 2.142 1
1 655 . 28 1 1 X 60 60 LEU H H 53 7.399 8.234 -0.835 1
1 656 . 28 1 1 X 60 60 LEU HA H 53 3.835 3.939 -0.104 1
1 666 . 28 1 1 X 60 60 LEU C C 53 178.601 179.217 -0.616 1
1 667 . 28 1 1 X 60 60 LEU CA C 53 58.031 58.130 -0.099 1
1 668 . 28 1 1 X 60 60 LEU CB C 53 43.487 42.312 1.175 1
1 672 . 28 1 1 X 60 60 LEU N N 53 114.763 118.072 -3.309 1
1 673 . 28 1 1 X 61 61 ILE H H 54 6.855 7.613 -0.758 1
1 674 . 28 1 1 X 61 61 ILE HA H 54 3.518 3.475 0.043 1
1 684 . 28 1 1 X 61 61 ILE C C 54 178.595 177.742 0.853 1
1 685 . 28 1 1 X 61 61 ILE CA C 54 62.989 64.888 -1.899 1
1 686 . 28 1 1 X 61 61 ILE CB C 54 38.424 37.171 1.253 1
1 690 . 28 1 1 X 61 61 ILE N N 54 114.394 119.372 -4.978 1
1 691 . 28 1 1 X 62 62 TYR H H 55 7.489 8.233 -0.744 1
1 692 . 28 1 1 X 62 62 TYR HA H 55 4.243 4.347 -0.104 1
1 699 . 28 1 1 X 62 62 TYR C C 55 178.634 178.849 -0.215 1
1 700 . 28 1 1 X 62 62 TYR CA C 55 61.518 60.612 0.906 1
1 701 . 28 1 1 X 62 62 TYR CB C 55 37.566 37.709 -0.143 1
1 706 . 28 1 1 X 62 62 TYR N N 55 117.898 120.079 -2.181 1
1 707 . 28 1 1 X 63 63 GLU H H 56 8.659 8.999 -0.340 1
1 708 . 28 1 1 X 63 63 GLU HA H 56 4.441 4.127 0.314 1
1 713 . 28 1 1 X 63 63 GLU C C 56 177.785 178.789 -1.004 1
1 714 . 28 1 1 X 63 63 GLU CA C 56 57.658 59.367 -1.709 1
1 715 . 28 1 1 X 63 63 GLU CB C 56 29.034 29.117 -0.083 1
1 717 . 28 1 1 X 63 63 GLU N N 56 119.392 117.671 1.721 1
1 718 . 28 1 1 X 64 64 ALA H H 57 7.164 8.146 -0.982 1
1 719 . 28 1 1 X 64 64 ALA HA H 57 4.021 4.116 -0.095 1
1 723 . 28 1 1 X 64 64 ALA C C 57 180.327 179.730 0.597 1
1 724 . 28 1 1 X 64 64 ALA CA C 57 55.759 54.951 0.808 1
1 725 . 28 1 1 X 64 64 ALA CB C 57 18.615 18.126 0.489 1
1 726 . 28 1 1 X 64 64 ALA N N 57 121.778 122.266 -0.488 1
1 727 . 28 1 1 X 65 65 ALA H H 58 8.076 8.056 0.020 1
1 728 . 28 1 1 X 65 65 ALA HA H 58 4.137 3.945 0.192 1
1 732 . 28 1 1 X 65 65 ALA C C 58 180.248 179.654 0.594 1
1 733 . 28 1 1 X 65 65 ALA CA C 58 55.104 55.002 0.102 1
1 734 . 28 1 1 X 65 65 ALA CB C 58 18.071 18.093 -0.022 1
1 735 . 28 1 1 X 65 65 ALA N N 58 120.307 119.785 0.522 1
1 736 . 28 1 1 X 66 66 ALA H H 59 7.893 7.721 0.172 1
1 737 . 28 1 1 X 66 66 ALA HA H 59 4.170 4.084 0.086 1
1 741 . 28 1 1 X 66 66 ALA C C 59 180.838 179.451 1.387 1
1 742 . 28 1 1 X 66 66 ALA CA C 59 54.800 55.130 -0.330 1
1 743 . 28 1 1 X 66 66 ALA CB C 59 18.184 17.851 0.333 1
1 744 . 28 1 1 X 66 66 ALA N N 59 122.126 119.574 2.552 1
1 745 . 28 1 1 X 67 67 ARG H H 60 8.139 8.675 -0.536 1
1 746 . 28 1 1 X 67 67 ARG HA H 60 4.065 3.979 0.086 1
1 753 . 28 1 1 X 67 67 ARG C C 60 178.779 178.262 0.517 1
1 754 . 28 1 1 X 67 67 ARG CA C 60 59.282 59.831 -0.549 1
1 755 . 28 1 1 X 67 67 ARG CB C 60 30.863 29.976 0.887 1
1 758 . 28 1 1 X 67 67 ARG N N 60 118.948 118.087 0.861 1
1 759 . 28 1 1 X 68 68 ALA H H 61 7.891 8.224 -0.333 1
1 760 . 28 1 1 X 68 68 ALA HA H 61 4.141 4.132 0.009 1
1 764 . 28 1 1 X 68 68 ALA C C 61 179.329 179.725 -0.396 1
1 765 . 28 1 1 X 68 68 ALA CA C 61 54.340 54.742 -0.402 1
1 766 . 28 1 1 X 68 68 ALA CB C 61 18.528 18.420 0.108 1
1 767 . 28 1 1 X 68 68 ALA N N 61 121.473 122.124 -0.651 1
1 768 . 28 1 1 X 69 69 ALA H H 62 7.663 7.818 -0.155 1
1 769 . 28 1 1 X 69 69 ALA HA H 62 4.133 4.216 -0.083 1
1 773 . 28 1 1 X 69 69 ALA C C 62 178.591 177.860 0.731 1
1 774 . 28 1 1 X 69 69 ALA CA C 62 53.863 54.844 -0.981 1
1 775 . 28 1 1 X 69 69 ALA CB C 62 18.438 19.247 -0.809 1
1 776 . 28 1 1 X 69 69 ALA N N 62 118.937 119.565 -0.628 1
1 777 . 28 1 1 X 70 70 ALA H H 63 7.488 8.140 -0.652 1
1 778 . 28 1 1 X 70 70 ALA HA H 63 4.280 4.523 -0.243 1
1 782 . 28 1 1 X 70 70 ALA C C 63 177.318 176.272 1.046 1
1 783 . 28 1 1 X 70 70 ALA CA C 63 52.981 50.433 2.548 1
1 784 . 28 1 1 X 70 70 ALA CB C 63 19.324 18.967 0.357 1
1 785 . 28 1 1 X 70 70 ALA N N 63 118.642 118.915 -0.273 1
1 786 . 28 1 1 X 71 71 ASN H H 64 7.631 8.407 -0.776 1
1 787 . 28 1 1 X 71 71 ASN HA H 64 5.077 5.026 0.051 1
1 792 . 28 1 1 X 71 71 ASN CA C 64 50.877 50.768 0.109 1
1 793 . 28 1 1 X 71 71 ASN CB C 64 39.243 39.466 -0.223 1
1 795 . 28 1 1 X 71 71 ASN N N 64 116.008 121.817 -5.809 1
1 797 . 28 1 1 X 72 72 PRO HA H 65 4.468 4.487 -0.019 1
1 804 . 28 1 1 X 72 72 PRO CA C 65 64.454 63.658 0.796 1
1 805 . 28 1 1 X 72 72 PRO CB C 65 32.007 32.111 -0.104 1
1 808 . 28 1 1 X 73 73 GLY H H 66 8.608 7.774 0.834 1
1 809 . 28 1 1 X 73 73 GLY HA2 H 66 3.978 4.095 -0.117 1
1 810 . 28 1 1 X 73 73 GLY HA3 H 66 3.978 4.096 -0.118 1
1 811 . 28 1 1 X 73 73 GLY C C 66 175.054 174.031 1.023 1
1 812 . 28 1 1 X 73 73 GLY CA C 66 45.521 44.119 1.402 1
1 813 . 28 1 1 X 73 73 GLY N N 66 109.435 108.718 0.717 1
1 814 . 28 1 1 X 74 74 GLY H H 67 8.085 8.613 -0.528 1
1 815 . 28 1 1 X 74 74 GLY HA2 H 67 4.132 3.848 0.284 1
1 816 . 28 1 1 X 74 74 GLY HA3 H 67 3.896 3.849 0.047 1
1 817 . 28 1 1 X 74 74 GLY C C 67 174.008 173.943 0.065 1
1 818 . 28 1 1 X 74 74 GLY CA C 67 45.450 47.354 -1.904 1
1 819 . 28 1 1 X 74 74 GLY N N 67 108.472 108.119 0.353 1
1 820 . 28 1 1 X 75 75 ASP H H 68 8.307 8.382 -0.075 1
1 821 . 28 1 1 X 75 75 ASP HA H 68 4.646 4.885 -0.239 1
1 824 . 28 1 1 X 75 75 ASP C C 68 176.933 175.955 0.978 1
1 825 . 28 1 1 X 75 75 ASP CA C 68 54.226 55.406 -1.180 1
1 826 . 28 1 1 X 75 75 ASP CB C 68 41.486 43.977 -2.491 1
1 827 . 28 1 1 X 75 75 ASP N N 68 119.941 124.102 -4.161 1
1 828 . 28 1 1 X 76 76 GLY H H 69 8.502 7.638 0.864 1
1 829 . 28 1 1 X 76 76 GLY HA2 H 69 3.966 4.057 -0.091 1
1 830 . 28 1 1 X 76 76 GLY HA3 H 69 3.951 4.059 -0.108 1
1 831 . 28 1 1 X 76 76 GLY C C 69 174.771 172.897 1.874 1
1 832 . 28 1 1 X 76 76 GLY CA C 69 45.744 44.058 1.686 1
1 833 . 28 1 1 X 76 76 GLY N N 69 109.061 106.534 2.527 1
1 834 . 28 1 1 X 77 77 GLY H H 70 8.367 8.212 0.155 1
1 835 . 28 1 1 X 77 77 GLY HA2 H 70 4.092 4.412 -0.320 1
1 836 . 28 1 1 X 77 77 GLY HA3 H 70 3.920 4.417 -0.497 1
1 837 . 28 1 1 X 77 77 GLY C C 70 174.782 172.075 2.707 1
1 838 . 28 1 1 X 77 77 GLY CA C 70 45.327 45.489 -0.162 1
1 839 . 28 1 1 X 77 77 GLY N N 70 108.393 108.647 -0.254 1
1 840 . 28 1 1 X 78 78 GLY H H 71 8.263 8.401 -0.138 1
1 841 . 28 1 1 X 78 78 GLY HA2 H 71 4.205 4.201 0.004 1
1 842 . 28 1 1 X 78 78 GLY HA3 H 71 4.092 4.212 -0.120 1
1 843 . 28 1 1 X 78 78 GLY CA C 71 45.581 44.980 0.601 1
1 844 . 28 1 1 X 78 78 GLY N N 71 108.388 107.833 0.555 1
1 845 . 28 1 1 X 79 79 PRO HA H 72 4.199 4.281 -0.082 1
1 852 . 28 1 1 X 79 79 PRO C C 72 178.000 177.501 0.499 1
1 853 . 28 1 1 X 79 79 PRO CA C 72 65.568 65.122 0.446 1
1 854 . 28 1 1 X 79 79 PRO CB C 72 32.864 31.885 0.979 1
1 857 . 28 1 1 X 80 80 GLU H H 73 9.283 8.422 0.861 1
1 858 . 28 1 1 X 80 80 GLU HA H 73 3.833 4.282 -0.449 1
1 863 . 28 1 1 X 80 80 GLU C C 73 179.587 177.723 1.864 1
1 864 . 28 1 1 X 80 80 GLU CA C 73 61.125 57.109 4.016 1
1 865 . 28 1 1 X 80 80 GLU CB C 73 28.576 29.426 -0.850 1
1 867 . 28 1 1 X 80 80 GLU N N 73 117.078 116.507 0.571 1
1 868 . 28 1 1 X 81 81 GLY H H 74 7.926 7.824 0.102 1
1 869 . 28 1 1 X 81 81 GLY HA2 H 74 3.964 4.024 -0.060 1
1 870 . 28 1 1 X 81 81 GLY HA3 H 74 3.914 4.039 -0.125 1
1 871 . 28 1 1 X 81 81 GLY C C 74 176.538 176.347 0.191 1
1 872 . 28 1 1 X 81 81 GLY CA C 74 47.084 45.827 1.257 1
1 873 . 28 1 1 X 81 81 GLY N N 74 108.577 108.327 0.250 1
1 874 . 28 1 1 X 82 82 ILE H H 75 7.593 8.234 -0.641 1
1 875 . 28 1 1 X 82 82 ILE HA H 75 3.873 3.962 -0.089 1
1 885 . 28 1 1 X 82 82 ILE C C 75 178.147 178.144 0.003 1
1 886 . 28 1 1 X 82 82 ILE CA C 75 65.342 64.753 0.589 1
1 887 . 28 1 1 X 82 82 ILE CB C 75 38.163 37.116 1.047 1
1 891 . 28 1 1 X 82 82 ILE N N 75 123.572 119.488 4.084 1
1 892 . 28 1 1 X 83 83 VAL H H 76 8.135 7.625 0.510 1
1 893 . 28 1 1 X 83 83 VAL HA H 76 3.575 4.206 -0.631 1
1 901 . 28 1 1 X 83 83 VAL C C 76 177.094 178.045 -0.951 1
1 902 . 28 1 1 X 83 83 VAL CA C 76 68.153 65.985 2.168 1
1 903 . 28 1 1 X 83 83 VAL CB C 76 31.653 31.554 0.099 1
1 906 . 28 1 1 X 83 83 VAL N N 76 118.553 119.333 -0.780 1
1 907 . 28 1 1 X 84 84 LYS H H 77 7.803 8.110 -0.307 1
1 908 . 28 1 1 X 84 84 LYS HA H 77 4.006 4.146 -0.140 1
1 917 . 28 1 1 X 84 84 LYS C C 77 178.064 178.983 -0.919 1
1 918 . 28 1 1 X 84 84 LYS CA C 77 60.516 59.503 1.013 1
1 919 . 28 1 1 X 84 84 LYS CB C 77 32.849 32.416 0.433 1
1 923 . 28 1 1 X 84 84 LYS N N 77 119.572 121.357 -1.785 1
1 924 . 28 1 1 X 85 85 GLU H H 78 7.629 7.681 -0.052 1
1 925 . 28 1 1 X 85 85 GLU HA H 78 4.246 4.095 0.151 1
1 930 . 28 1 1 X 85 85 GLU C C 78 179.834 179.556 0.278 1
1 931 . 28 1 1 X 85 85 GLU CA C 78 59.752 59.326 0.426 1
1 932 . 28 1 1 X 85 85 GLU CB C 78 29.189 29.478 -0.289 1
1 934 . 28 1 1 X 85 85 GLU N N 78 118.366 118.834 -0.468 1
1 935 . 28 1 1 X 86 86 ILE H H 79 8.432 8.311 0.121 1
1 936 . 28 1 1 X 86 86 ILE HA H 79 3.781 3.545 0.236 1
1 946 . 28 1 1 X 86 86 ILE C C 79 177.578 178.255 -0.677 1
1 947 . 28 1 1 X 86 86 ILE CA C 79 65.454 65.216 0.238 1
1 948 . 28 1 1 X 86 86 ILE CB C 79 37.940 37.764 0.176 1
1 952 . 28 1 1 X 86 86 ILE N N 79 118.975 120.370 -1.395 1
1 953 . 28 1 1 X 87 87 LYS H H 80 9.096 8.409 0.687 1
1 954 . 28 1 1 X 87 87 LYS HA H 80 3.958 3.766 0.192 1
1 963 . 28 1 1 X 87 87 LYS C C 80 180.285 178.488 1.797 1
1 964 . 28 1 1 X 87 87 LYS CA C 80 60.290 59.060 1.230 1
1 965 . 28 1 1 X 87 87 LYS CB C 80 33.299 32.039 1.260 1
1 969 . 28 1 1 X 87 87 LYS N N 80 119.805 120.476 -0.671 1
1 970 . 28 1 1 X 88 88 GLU H H 81 8.508 8.302 0.206 1
1 971 . 28 1 1 X 88 88 GLU HA H 81 4.099 4.087 0.012 1
1 976 . 28 1 1 X 88 88 GLU C C 81 179.195 178.849 0.346 1
1 977 . 28 1 1 X 88 88 GLU CA C 81 59.632 59.060 0.572 1
1 978 . 28 1 1 X 88 88 GLU CB C 81 29.649 29.531 0.118 1
1 980 . 28 1 1 X 88 88 GLU N N 81 118.920 119.289 -0.369 1
1 981 . 28 1 1 X 89 89 TRP H H 82 8.682 8.103 0.579 1
1 982 . 28 1 1 X 89 89 TRP HA H 82 4.201 4.296 -0.095 1
1 991 . 28 1 1 X 89 89 TRP C C 82 179.807 178.431 1.376 1
1 992 . 28 1 1 X 89 89 TRP CA C 82 63.110 60.956 2.154 1
1 993 . 28 1 1 X 89 89 TRP CB C 82 29.285 29.698 -0.413 1
1 999 . 28 1 1 X 89 89 TRP N N 82 122.152 122.112 0.040 1
1 1001 . 28 1 1 X 90 90 ARG H H 83 9.025 8.143 0.882 1
1 1002 . 28 1 1 X 90 90 ARG HA H 83 3.295 3.813 -0.518 1
1 1009 . 28 1 1 X 90 90 ARG C C 83 178.120 178.849 -0.729 1
1 1010 . 28 1 1 X 90 90 ARG CA C 83 60.895 59.789 1.106 1
1 1011 . 28 1 1 X 90 90 ARG CB C 83 28.668 30.075 -1.407 1
1 1014 . 28 1 1 X 90 90 ARG N N 83 118.380 119.143 -0.763 1
1 1015 . 28 1 1 X 91 91 ALA H H 84 7.759 8.028 -0.269 1
1 1016 . 28 1 1 X 91 91 ALA HA H 84 4.151 4.050 0.101 1
1 1020 . 28 1 1 X 91 91 ALA C C 84 181.466 180.231 1.235 1
1 1021 . 28 1 1 X 91 91 ALA CA C 84 55.217 54.961 0.256 1
1 1022 . 28 1 1 X 91 91 ALA CB C 84 18.175 18.191 -0.016 1
1 1023 . 28 1 1 X 91 91 ALA N N 84 120.210 122.030 -1.820 1
1 1024 . 28 1 1 X 92 92 ALA H H 85 7.943 8.071 -0.128 1
1 1025 . 28 1 1 X 92 92 ALA HA H 85 4.081 3.947 0.134 1
1 1029 . 28 1 1 X 92 92 ALA C C 85 178.324 179.485 -1.161 1
1 1030 . 28 1 1 X 92 92 ALA CA C 85 54.244 55.136 -0.892 1
1 1031 . 28 1 1 X 92 92 ALA CB C 85 18.306 17.974 0.332 1
1 1032 . 28 1 1 X 92 92 ALA N N 85 120.470 120.237 0.233 1
1 1033 . 28 1 1 X 93 93 ASN H H 86 7.005 7.199 -0.194 1
1 1034 . 28 1 1 X 93 93 ASN HA H 86 4.475 4.606 -0.131 1
1 1039 . 28 1 1 X 93 93 ASN C C 86 174.108 175.391 -1.283 1
1 1040 . 28 1 1 X 93 93 ASN CA C 86 53.347 53.283 0.064 1
1 1041 . 28 1 1 X 93 93 ASN CB C 86 39.379 38.842 0.537 1
1 1043 . 28 1 1 X 93 93 ASN N N 86 113.372 113.816 -0.444 1
1 1045 . 28 1 1 X 94 94 GLY H H 87 7.535 8.140 -0.605 1
1 1046 . 28 1 1 X 94 94 GLY HA2 H 87 3.810 3.976 -0.166 1
1 1047 . 28 1 1 X 94 94 GLY HA3 H 87 3.810 3.978 -0.168 1
1 1048 . 28 1 1 X 94 94 GLY C C 87 174.481 174.056 0.425 1
1 1049 . 28 1 1 X 94 94 GLY CA C 87 47.230 45.074 2.156 1
1 1050 . 28 1 1 X 94 94 GLY N N 87 108.152 107.115 1.037 1
1 1051 . 28 1 1 X 95 95 LYS H H 88 8.037 7.924 0.113 1
1 1052 . 28 1 1 X 95 95 LYS HA H 88 4.654 4.616 0.038 1
1 1061 . 28 1 1 X 95 95 LYS CA C 88 53.357 53.236 0.121 1
1 1062 . 28 1 1 X 95 95 LYS CB C 88 32.741 32.162 0.579 1
1 1066 . 28 1 1 X 95 95 LYS N N 88 119.147 120.340 -1.193 1
1 1067 . 28 1 1 X 96 96 PRO HA H 89 4.275 4.520 -0.245 1
1 1074 . 28 1 1 X 96 96 PRO C C 89 176.696 176.800 -0.104 1
1 1075 . 28 1 1 X 96 96 PRO CA C 89 63.482 63.123 0.359 1
1 1076 . 28 1 1 X 96 96 PRO CB C 89 32.981 32.236 0.745 1
1 1079 . 28 1 1 X 97 97 GLY H H 90 8.336 8.344 -0.008 1
1 1080 . 28 1 1 X 97 97 GLY HA2 H 90 4.074 3.759 0.315 1
1 1081 . 28 1 1 X 97 97 GLY HA3 H 90 3.615 3.856 -0.241 1
1 1082 . 28 1 1 X 97 97 GLY C C 90 173.388 173.316 0.072 1
1 1083 . 28 1 1 X 97 97 GLY CA C 90 43.347 44.051 -0.704 1
1 1084 . 28 1 1 X 97 97 GLY N N 90 110.343 108.119 2.224 1
1 1085 . 28 1 1 X 98 98 PHE H H 91 7.749 8.115 -0.366 1
1 1086 . 28 1 1 X 98 98 PHE HA H 91 4.527 4.863 -0.336 1
1 1094 . 28 1 1 X 98 98 PHE C C 91 177.021 175.599 1.422 1
1 1095 . 28 1 1 X 98 98 PHE CA C 91 59.184 57.680 1.504 1
1 1096 . 28 1 1 X 98 98 PHE CB C 91 40.005 41.402 -1.397 1
1 1102 . 28 1 1 X 98 98 PHE N N 91 116.151 120.371 -4.220 1
1 1103 . 28 1 1 X 99 99 LYS H H 92 8.531 8.868 -0.337 1
1 1104 . 28 1 1 X 99 99 LYS HA H 92 4.178 4.581 -0.403 1
1 1113 . 28 1 1 X 99 99 LYS C C 92 176.542 176.099 0.443 1
1 1114 . 28 1 1 X 99 99 LYS CA C 92 57.292 55.767 1.525 1
1 1115 . 28 1 1 X 99 99 LYS CB C 92 32.875 33.637 -0.762 1
1 1119 . 28 1 1 X 99 99 LYS N N 92 123.602 120.249 3.353 1
1 1120 . 28 1 1 X 100 100 GLN H H 93 8.633 8.569 0.064 1
1 1121 . 28 1 1 X 100 100 GLN HA H 93 4.297 5.099 -0.802 1
1 1128 . 28 1 1 X 100 100 GLN C C 93 175.318 176.130 -0.812 1
1 1129 . 28 1 1 X 100 100 GLN CA C 93 56.479 54.606 1.873 1
1 1130 . 28 1 1 X 100 100 GLN CB C 93 29.751 30.909 -1.158 1
1 1133 . 28 1 1 X 100 100 GLN N N 93 125.089 120.178 4.911 1
1 12 . 29 1 1 X 10 10 LEU H H 3 8.121 8.612 -0.491 1
1 13 . 29 1 1 X 10 10 LEU HA H 3 4.240 5.248 -1.008 1
1 23 . 29 1 1 X 10 10 LEU C C 3 176.909 176.309 0.600 1
1 24 . 29 1 1 X 10 10 LEU CA C 3 54.748 53.736 1.012 1
1 25 . 29 1 1 X 10 10 LEU CB C 3 41.272 42.862 -1.590 1
1 29 . 29 1 1 X 10 10 LEU N N 3 123.688 126.202 -2.514 1
1 30 . 29 1 1 X 11 11 LYS H H 4 7.677 8.983 -1.306 1
1 31 . 29 1 1 X 11 11 LYS HA H 4 4.404 4.580 -0.176 1
1 40 . 29 1 1 X 11 11 LYS C C 4 176.184 177.547 -1.363 1
1 41 . 29 1 1 X 11 11 LYS CA C 4 55.828 54.738 1.090 1
1 42 . 29 1 1 X 11 11 LYS CB C 4 33.482 33.738 -0.256 1
1 46 . 29 1 1 X 11 11 LYS N N 4 122.221 122.922 -0.701 1
1 47 . 29 1 1 X 12 12 ASN H H 5 8.538 8.527 0.011 1
1 48 . 29 1 1 X 12 12 ASN HA H 5 4.685 4.977 -0.292 1
1 53 . 29 1 1 X 12 12 ASN C C 5 174.925 175.057 -0.132 1
1 54 . 29 1 1 X 12 12 ASN CA C 5 55.721 53.273 2.448 1
1 55 . 29 1 1 X 12 12 ASN CB C 5 40.409 40.061 0.348 1
1 57 . 29 1 1 X 12 12 ASN N N 5 116.610 117.629 -1.019 1
1 59 . 29 1 1 X 13 13 SER H H 6 8.144 7.771 0.373 1
1 60 . 29 1 1 X 13 13 SER HA H 6 4.819 4.870 -0.051 1
1 63 . 29 1 1 X 13 13 SER C C 6 175.123 175.224 -0.101 1
1 64 . 29 1 1 X 13 13 SER CA C 6 56.778 55.464 1.314 1
1 65 . 29 1 1 X 13 13 SER CB C 6 65.949 67.137 -1.188 1
1 66 . 29 1 1 X 13 13 SER N N 6 112.138 111.033 1.105 1
1 67 . 29 1 1 X 14 14 ILE H H 7 9.318 8.824 0.494 1
1 68 . 29 1 1 X 14 14 ILE HA H 7 3.966 4.234 -0.268 1
1 78 . 29 1 1 X 14 14 ILE C C 7 175.537 178.540 -3.003 1
1 79 . 29 1 1 X 14 14 ILE CA C 7 64.956 64.630 0.326 1
1 80 . 29 1 1 X 14 14 ILE CB C 7 37.062 37.523 -0.461 1
1 84 . 29 1 1 X 14 14 ILE N N 7 126.034 124.704 1.330 1
1 85 . 29 1 1 X 15 15 SER H H 8 7.504 8.238 -0.734 1
1 86 . 29 1 1 X 15 15 SER HA H 8 4.694 4.618 0.076 1
1 89 . 29 1 1 X 15 15 SER C C 8 174.278 174.646 -0.368 1
1 90 . 29 1 1 X 15 15 SER CA C 8 59.481 60.438 -0.957 1
1 91 . 29 1 1 X 15 15 SER CB C 8 63.241 63.384 -0.143 1
1 92 . 29 1 1 X 15 15 SER N N 8 112.517 118.071 -5.554 1
1 93 . 29 1 1 X 16 16 ASP H H 9 7.783 7.773 0.010 1
1 94 . 29 1 1 X 16 16 ASP HA H 9 4.791 4.748 0.043 1
1 97 . 29 1 1 X 16 16 ASP C C 9 175.976 175.874 0.102 1
1 98 . 29 1 1 X 16 16 ASP CA C 9 55.243 53.632 1.611 1
1 99 . 29 1 1 X 16 16 ASP CB C 9 43.327 40.968 2.359 1
1 100 . 29 1 1 X 16 16 ASP N N 9 117.795 119.814 -2.019 1
1 101 . 29 1 1 X 17 17 TYR H H 10 8.279 7.790 0.489 1
1 102 . 29 1 1 X 17 17 TYR HA H 10 4.962 5.066 -0.104 1
1 109 . 29 1 1 X 17 17 TYR C C 10 177.535 176.222 1.313 1
1 110 . 29 1 1 X 17 17 TYR CA C 10 58.573 57.248 1.325 1
1 111 . 29 1 1 X 17 17 TYR CB C 10 41.015 40.058 0.957 1
1 116 . 29 1 1 X 17 17 TYR N N 10 120.484 118.727 1.757 1
1 117 . 29 1 1 X 18 18 THR H H 11 8.796 8.886 -0.090 1
1 118 . 29 1 1 X 18 18 THR HA H 11 5.040 5.330 -0.290 1
1 123 . 29 1 1 X 18 18 THR C C 11 176.099 176.025 0.074 1
1 124 . 29 1 1 X 18 18 THR CA C 11 60.775 60.681 0.094 1
1 125 . 29 1 1 X 18 18 THR CB C 11 71.041 71.242 -0.201 1
1 127 . 29 1 1 X 18 18 THR N N 11 112.143 116.744 -4.601 1
1 128 . 29 1 1 X 19 19 GLU H H 12 9.173 9.063 0.110 1
1 129 . 29 1 1 X 19 19 GLU HA H 12 2.757 3.475 -0.718 1
1 134 . 29 1 1 X 19 19 GLU C C 12 178.378 178.625 -0.247 1
1 135 . 29 1 1 X 19 19 GLU CA C 12 60.906 59.238 1.668 1
1 136 . 29 1 1 X 19 19 GLU CB C 12 29.442 29.071 0.371 1
1 138 . 29 1 1 X 19 19 GLU N N 12 122.386 120.724 1.662 1
1 139 . 29 1 1 X 20 20 ALA H H 13 8.356 8.222 0.134 1
1 140 . 29 1 1 X 20 20 ALA HA H 13 4.069 4.148 -0.079 1
1 144 . 29 1 1 X 20 20 ALA C C 13 181.816 179.552 2.264 1
1 145 . 29 1 1 X 20 20 ALA CA C 13 55.388 54.947 0.441 1
1 146 . 29 1 1 X 20 20 ALA CB C 13 18.308 18.512 -0.204 1
1 147 . 29 1 1 X 20 20 ALA N N 13 118.695 122.113 -3.418 1
1 148 . 29 1 1 X 21 21 GLU H H 14 8.013 8.135 -0.122 1
1 149 . 29 1 1 X 21 21 GLU HA H 14 4.131 4.127 0.004 1
1 154 . 29 1 1 X 21 21 GLU C C 14 179.649 179.179 0.470 1
1 155 . 29 1 1 X 21 21 GLU CA C 14 58.916 58.955 -0.039 1
1 156 . 29 1 1 X 21 21 GLU CB C 14 31.632 29.588 2.044 1
1 158 . 29 1 1 X 21 21 GLU N N 14 118.978 119.376 -0.398 1
1 159 . 29 1 1 X 22 22 PHE H H 15 8.635 8.397 0.238 1
1 160 . 29 1 1 X 22 22 PHE HA H 15 4.049 4.036 0.013 1
1 167 . 29 1 1 X 22 22 PHE C C 15 177.402 177.542 -0.140 1
1 168 . 29 1 1 X 22 22 PHE CA C 15 62.183 61.200 0.983 1
1 169 . 29 1 1 X 22 22 PHE CB C 15 40.545 38.771 1.774 1
1 174 . 29 1 1 X 22 22 PHE N N 15 124.639 122.347 2.292 1
1 175 . 29 1 1 X 23 23 VAL H H 16 8.647 8.256 0.391 1
1 176 . 29 1 1 X 23 23 VAL HA H 16 3.416 3.707 -0.291 1
1 184 . 29 1 1 X 23 23 VAL C C 16 177.798 177.704 0.094 1
1 185 . 29 1 1 X 23 23 VAL CA C 16 67.917 66.708 1.209 1
1 186 . 29 1 1 X 23 23 VAL CB C 16 31.579 30.861 0.718 1
1 189 . 29 1 1 X 23 23 VAL N N 16 119.817 118.548 1.269 1
1 190 . 29 1 1 X 24 24 GLN H H 17 7.569 8.311 -0.742 1
1 191 . 29 1 1 X 24 24 GLN HA H 17 3.943 3.962 -0.019 1
1 198 . 29 1 1 X 24 24 GLN C C 17 178.313 178.021 0.292 1
1 199 . 29 1 1 X 24 24 GLN CA C 17 59.289 59.113 0.176 1
1 200 . 29 1 1 X 24 24 GLN CB C 17 27.814 28.149 -0.335 1
1 203 . 29 1 1 X 24 24 GLN N N 17 117.658 121.105 -3.447 1
1 205 . 29 1 1 X 25 25 LEU H H 18 7.512 7.870 -0.358 1
1 206 . 29 1 1 X 25 25 LEU HA H 18 4.136 4.016 0.120 1
1 216 . 29 1 1 X 25 25 LEU C C 18 178.440 178.147 0.293 1
1 217 . 29 1 1 X 25 25 LEU CA C 18 58.651 58.076 0.575 1
1 218 . 29 1 1 X 25 25 LEU CB C 18 40.626 41.248 -0.622 1
1 222 . 29 1 1 X 25 25 LEU N N 18 122.037 120.737 1.300 1
1 223 . 29 1 1 X 26 26 LEU H H 19 7.761 8.183 -0.422 1
1 224 . 29 1 1 X 26 26 LEU HA H 19 3.748 3.557 0.191 1
1 234 . 29 1 1 X 26 26 LEU C C 19 180.080 179.194 0.886 1
1 235 . 29 1 1 X 26 26 LEU CA C 19 58.041 57.480 0.561 1
1 236 . 29 1 1 X 26 26 LEU CB C 19 41.009 41.173 -0.164 1
1 240 . 29 1 1 X 26 26 LEU N N 19 118.502 118.179 0.323 1
1 241 . 29 1 1 X 27 27 LYS H H 20 8.357 8.251 0.106 1
1 242 . 29 1 1 X 27 27 LYS HA H 20 4.019 3.916 0.103 1
1 251 . 29 1 1 X 27 27 LYS C C 20 179.559 179.474 0.085 1
1 252 . 29 1 1 X 27 27 LYS CA C 20 59.648 59.998 -0.350 1
1 253 . 29 1 1 X 27 27 LYS CB C 20 31.995 31.959 0.036 1
1 257 . 29 1 1 X 27 27 LYS N N 20 120.427 118.168 2.259 1
1 258 . 29 1 1 X 28 28 GLU H H 21 8.123 8.038 0.085 1
1 259 . 29 1 1 X 28 28 GLU HA H 21 4.082 3.969 0.113 1
1 264 . 29 1 1 X 28 28 GLU C C 21 179.063 179.421 -0.358 1
1 265 . 29 1 1 X 28 28 GLU CA C 21 59.406 59.157 0.249 1
1 266 . 29 1 1 X 28 28 GLU CB C 21 29.146 29.361 -0.215 1
1 268 . 29 1 1 X 28 28 GLU N N 21 122.374 120.202 2.172 1
1 269 . 29 1 1 X 29 29 ILE H H 22 8.049 8.198 -0.149 1
1 270 . 29 1 1 X 29 29 ILE HA H 22 3.343 3.522 -0.179 1
1 280 . 29 1 1 X 29 29 ILE C C 22 177.151 177.564 -0.413 1
1 281 . 29 1 1 X 29 29 ILE CA C 22 66.435 65.077 1.358 1
1 282 . 29 1 1 X 29 29 ILE CB C 22 37.954 37.495 0.459 1
1 286 . 29 1 1 X 29 29 ILE N N 22 120.195 121.299 -1.104 1
1 287 . 29 1 1 X 30 30 GLU H H 23 7.820 8.240 -0.420 1
1 288 . 29 1 1 X 30 30 GLU HA H 23 3.983 3.780 0.203 1
1 293 . 29 1 1 X 30 30 GLU C C 23 178.990 179.062 -0.072 1
1 294 . 29 1 1 X 30 30 GLU CA C 23 59.460 59.763 -0.303 1
1 295 . 29 1 1 X 30 30 GLU CB C 23 30.012 29.346 0.666 1
1 297 . 29 1 1 X 30 30 GLU N N 23 118.917 118.878 0.039 1
1 298 . 29 1 1 X 31 31 LYS H H 24 7.678 8.141 -0.463 1
1 299 . 29 1 1 X 31 31 LYS HA H 24 4.059 3.932 0.127 1
1 308 . 29 1 1 X 31 31 LYS C C 24 179.231 178.554 0.677 1
1 309 . 29 1 1 X 31 31 LYS CA C 24 59.152 59.752 -0.600 1
1 310 . 29 1 1 X 31 31 LYS CB C 24 32.712 32.428 0.284 1
1 314 . 29 1 1 X 31 31 LYS N N 24 118.807 120.114 -1.307 1
1 315 . 29 1 1 X 32 32 GLU H H 25 8.182 7.692 0.490 1
1 316 . 29 1 1 X 32 32 GLU HA H 25 4.309 4.236 0.073 1
1 321 . 29 1 1 X 32 32 GLU C C 25 177.897 178.009 -0.112 1
1 322 . 29 1 1 X 32 32 GLU CA C 25 57.449 57.457 -0.008 1
1 323 . 29 1 1 X 32 32 GLU CB C 25 29.522 29.868 -0.346 1
1 325 . 29 1 1 X 32 32 GLU N N 25 118.578 118.265 0.313 1
1 326 . 29 1 1 X 33 33 ASN H H 26 8.343 8.022 0.321 1
1 327 . 29 1 1 X 33 33 ASN HA H 26 4.608 4.399 0.209 1
1 330 . 29 1 1 X 33 33 ASN C C 26 176.524 177.416 -0.892 1
1 331 . 29 1 1 X 33 33 ASN CA C 26 55.463 56.355 -0.892 1
1 332 . 29 1 1 X 33 33 ASN CB C 26 39.074 38.686 0.388 1
1 333 . 29 1 1 X 33 33 ASN N N 26 118.483 119.117 -0.634 1
1 334 . 29 1 1 X 34 34 VAL H H 27 7.434 7.724 -0.290 1
1 335 . 29 1 1 X 34 34 VAL HA H 27 4.182 3.948 0.234 1
1 343 . 29 1 1 X 34 34 VAL C C 27 176.315 177.898 -1.583 1
1 344 . 29 1 1 X 34 34 VAL CA C 27 62.829 63.872 -1.043 1
1 345 . 29 1 1 X 34 34 VAL CB C 27 32.178 31.433 0.745 1
1 348 . 29 1 1 X 34 34 VAL N N 27 114.036 116.263 -2.227 1
1 349 . 29 1 1 X 35 35 ALA H H 28 7.648 7.688 -0.040 1
1 350 . 29 1 1 X 35 35 ALA HA H 28 4.346 4.264 0.082 1
1 354 . 29 1 1 X 35 35 ALA C C 28 177.126 176.882 0.244 1
1 355 . 29 1 1 X 35 35 ALA CA C 28 52.712 52.727 -0.015 1
1 356 . 29 1 1 X 35 35 ALA CB C 28 19.915 19.487 0.428 1
1 357 . 29 1 1 X 35 35 ALA N N 28 124.066 123.579 0.487 1
1 358 . 29 1 1 X 36 36 ALA H H 29 8.337 7.791 0.546 1
1 359 . 29 1 1 X 36 36 ALA HA H 29 4.260 3.922 0.338 1
1 363 . 29 1 1 X 36 36 ALA C C 29 177.999 176.244 1.755 1
1 364 . 29 1 1 X 36 36 ALA CA C 29 53.660 52.910 0.750 1
1 365 . 29 1 1 X 36 36 ALA CB C 29 19.175 17.401 1.774 1
1 366 . 29 1 1 X 36 36 ALA N N 29 121.695 119.898 1.797 1
1 367 . 29 1 1 X 37 37 THR H H 30 8.093 7.594 0.499 1
1 368 . 29 1 1 X 37 37 THR HA H 30 4.533 4.670 -0.137 1
1 373 . 29 1 1 X 37 37 THR C C 30 174.715 174.021 0.694 1
1 374 . 29 1 1 X 37 37 THR CA C 30 60.860 60.438 0.422 1
1 375 . 29 1 1 X 37 37 THR CB C 30 70.424 69.635 0.789 1
1 377 . 29 1 1 X 37 37 THR N N 30 110.112 107.117 2.995 1
1 378 . 29 1 1 X 38 38 ASP H H 31 8.488 8.407 0.081 1
1 379 . 29 1 1 X 38 38 ASP HA H 31 4.685 4.800 -0.115 1
1 382 . 29 1 1 X 38 38 ASP C C 31 175.896 177.544 -1.648 1
1 383 . 29 1 1 X 38 38 ASP CA C 31 54.704 54.597 0.107 1
1 384 . 29 1 1 X 38 38 ASP CB C 31 41.389 42.810 -1.421 1
1 385 . 29 1 1 X 38 38 ASP N N 31 121.899 120.067 1.832 1
1 386 . 29 1 1 X 39 39 ASP H H 32 8.368 8.073 0.295 1
1 387 . 29 1 1 X 39 39 ASP HA H 32 4.459 4.418 0.041 1
1 390 . 29 1 1 X 39 39 ASP C C 32 177.499 178.481 -0.982 1
1 391 . 29 1 1 X 39 39 ASP CA C 32 56.443 57.492 -1.049 1
1 392 . 29 1 1 X 39 39 ASP CB C 32 40.737 41.281 -0.544 1
1 393 . 29 1 1 X 39 39 ASP N N 32 118.770 120.053 -1.283 1
1 394 . 29 1 1 X 40 40 VAL H H 33 7.963 7.872 0.091 1
1 395 . 29 1 1 X 40 40 VAL HA H 33 3.800 3.855 -0.055 1
1 403 . 29 1 1 X 40 40 VAL C C 33 177.362 177.774 -0.412 1
1 404 . 29 1 1 X 40 40 VAL CA C 33 64.970 65.251 -0.281 1
1 405 . 29 1 1 X 40 40 VAL CB C 33 32.256 31.499 0.757 1
1 408 . 29 1 1 X 40 40 VAL N N 33 119.409 118.321 1.088 1
1 409 . 29 1 1 X 41 41 LEU H H 34 8.508 8.066 0.442 1
1 410 . 29 1 1 X 41 41 LEU HA H 34 3.857 3.892 -0.035 1
1 420 . 29 1 1 X 41 41 LEU C C 34 177.633 178.413 -0.780 1
1 421 . 29 1 1 X 41 41 LEU CA C 34 58.428 58.440 -0.012 1
1 422 . 29 1 1 X 41 41 LEU CB C 34 41.755 41.369 0.386 1
1 426 . 29 1 1 X 41 41 LEU N N 34 122.150 122.408 -0.258 1
1 427 . 29 1 1 X 42 42 ASP H H 35 8.236 8.073 0.163 1
1 428 . 29 1 1 X 42 42 ASP HA H 35 4.370 4.510 -0.140 1
1 431 . 29 1 1 X 42 42 ASP C C 35 179.155 178.784 0.371 1
1 432 . 29 1 1 X 42 42 ASP CA C 35 57.925 56.587 1.338 1
1 433 . 29 1 1 X 42 42 ASP CB C 35 40.417 40.644 -0.227 1
1 434 . 29 1 1 X 42 42 ASP N N 35 116.374 119.078 -2.704 1
1 435 . 29 1 1 X 43 43 VAL H H 36 7.320 7.944 -0.624 1
1 436 . 29 1 1 X 43 43 VAL HA H 36 3.782 3.654 0.128 1
1 444 . 29 1 1 X 43 43 VAL C C 36 179.309 178.262 1.047 1
1 445 . 29 1 1 X 43 43 VAL CA C 36 66.080 66.485 -0.405 1
1 446 . 29 1 1 X 43 43 VAL CB C 36 32.245 31.604 0.641 1
1 449 . 29 1 1 X 43 43 VAL N N 36 119.754 121.271 -1.517 1
1 450 . 29 1 1 X 44 44 LEU H H 37 8.122 8.499 -0.377 1
1 451 . 29 1 1 X 44 44 LEU HA H 37 4.008 4.036 -0.028 1
1 461 . 29 1 1 X 44 44 LEU C C 37 179.518 179.346 0.172 1
1 462 . 29 1 1 X 44 44 LEU CA C 37 58.048 57.844 0.204 1
1 463 . 29 1 1 X 44 44 LEU CB C 37 42.374 41.634 0.740 1
1 467 . 29 1 1 X 44 44 LEU N N 37 120.608 118.777 1.831 1
1 468 . 29 1 1 X 45 45 LEU H H 38 8.898 8.423 0.475 1
1 469 . 29 1 1 X 45 45 LEU HA H 38 4.030 3.995 0.035 1
1 479 . 29 1 1 X 45 45 LEU C C 38 179.166 179.564 -0.398 1
1 480 . 29 1 1 X 45 45 LEU CA C 38 58.184 58.212 -0.028 1
1 481 . 29 1 1 X 45 45 LEU CB C 38 41.506 41.566 -0.060 1
1 485 . 29 1 1 X 45 45 LEU N N 38 119.199 118.679 0.520 1
1 486 . 29 1 1 X 46 46 GLU H H 39 7.964 7.875 0.089 1
1 487 . 29 1 1 X 46 46 GLU HA H 39 4.066 4.040 0.026 1
1 492 . 29 1 1 X 46 46 GLU C C 39 178.995 178.997 -0.002 1
1 493 . 29 1 1 X 46 46 GLU CA C 39 59.769 59.687 0.082 1
1 494 . 29 1 1 X 46 46 GLU CB C 39 29.577 29.283 0.294 1
1 496 . 29 1 1 X 46 46 GLU N N 39 119.334 118.388 0.946 1
1 497 . 29 1 1 X 47 47 HIS H H 40 8.009 8.659 -0.650 1
1 498 . 29 1 1 X 47 47 HIS HA H 40 4.416 4.394 0.022 1
1 503 . 29 1 1 X 47 47 HIS C C 40 176.115 176.992 -0.877 1
1 504 . 29 1 1 X 47 47 HIS CA C 40 60.151 58.839 1.312 1
1 505 . 29 1 1 X 47 47 HIS CB C 40 30.389 30.634 -0.245 1
1 508 . 29 1 1 X 47 47 HIS N N 40 119.610 119.981 -0.371 1
1 509 . 29 1 1 X 48 48 PHE H H 41 8.711 8.644 0.067 1
1 510 . 29 1 1 X 48 48 PHE HA H 41 3.808 4.111 -0.303 1
1 518 . 29 1 1 X 48 48 PHE C C 41 178.023 177.333 0.690 1
1 519 . 29 1 1 X 48 48 PHE CA C 41 62.654 61.447 1.207 1
1 520 . 29 1 1 X 48 48 PHE CB C 41 39.408 39.314 0.094 1
1 526 . 29 1 1 X 48 48 PHE N N 41 118.110 120.096 -1.986 1
1 527 . 29 1 1 X 49 49 VAL H H 42 8.439 8.073 0.366 1
1 528 . 29 1 1 X 49 49 VAL HA H 42 3.359 3.730 -0.371 1
1 536 . 29 1 1 X 49 49 VAL C C 42 178.340 177.514 0.826 1
1 537 . 29 1 1 X 49 49 VAL CA C 42 67.276 64.469 2.807 1
1 538 . 29 1 1 X 49 49 VAL CB C 42 32.235 31.391 0.844 1
1 541 . 29 1 1 X 49 49 VAL N N 42 121.301 118.579 2.722 1
1 542 . 29 1 1 X 50 50 LYS H H 43 8.091 8.430 -0.339 1
1 543 . 29 1 1 X 50 50 LYS HA H 43 3.973 4.028 -0.055 1
1 552 . 29 1 1 X 50 50 LYS C C 43 178.985 178.313 0.672 1
1 553 . 29 1 1 X 50 50 LYS CA C 43 59.580 58.913 0.667 1
1 554 . 29 1 1 X 50 50 LYS CB C 43 32.784 31.808 0.976 1
1 558 . 29 1 1 X 50 50 LYS N N 43 120.887 119.953 0.934 1
1 559 . 29 1 1 X 51 51 ILE H H 44 8.347 7.570 0.777 1
1 560 . 29 1 1 X 51 51 ILE HA H 44 4.159 3.847 0.312 1
1 570 . 29 1 1 X 51 51 ILE C C 44 178.121 177.937 0.184 1
1 571 . 29 1 1 X 51 51 ILE CA C 44 62.328 64.305 -1.977 1
1 572 . 29 1 1 X 51 51 ILE CB C 44 37.576 37.544 0.032 1
1 576 . 29 1 1 X 51 51 ILE N N 44 111.354 117.015 -5.661 1
1 577 . 29 1 1 X 52 52 THR H H 45 7.588 7.847 -0.259 1
1 578 . 29 1 1 X 52 52 THR HA H 45 3.683 4.048 -0.365 1
1 583 . 29 1 1 X 52 52 THR C C 45 176.285 175.329 0.956 1
1 584 . 29 1 1 X 52 52 THR CA C 45 65.803 63.668 2.135 1
1 585 . 29 1 1 X 52 52 THR CB C 45 69.689 69.774 -0.085 1
1 587 . 29 1 1 X 52 52 THR N N 45 109.646 112.549 -2.903 1
1 588 . 29 1 1 X 53 53 GLU H H 46 7.366 7.514 -0.148 1
1 589 . 29 1 1 X 53 53 GLU HA H 46 3.836 4.215 -0.379 1
1 594 . 29 1 1 X 53 53 GLU C C 46 173.418 174.784 -1.366 1
1 595 . 29 1 1 X 53 53 GLU CA C 46 57.709 57.450 0.259 1
1 596 . 29 1 1 X 53 53 GLU CB C 46 29.067 27.353 1.714 1
1 598 . 29 1 1 X 53 53 GLU N N 46 112.606 112.986 -0.380 1
1 599 . 29 1 1 X 54 54 HIS H H 47 7.127 7.181 -0.054 1
1 600 . 29 1 1 X 54 54 HIS HA H 47 3.070 3.137 -0.067 1
1 605 . 29 1 1 X 54 54 HIS CA C 47 55.826 54.778 1.048 1
1 606 . 29 1 1 X 54 54 HIS CB C 47 32.124 30.823 1.301 1
1 609 . 29 1 1 X 54 54 HIS N N 47 119.651 119.866 -0.215 1
1 610 . 29 1 1 X 55 55 PRO HA H 48 4.143 4.316 -0.173 1
1 617 . 29 1 1 X 55 55 PRO CA C 48 64.843 63.937 0.906 1
1 618 . 29 1 1 X 55 55 PRO CB C 48 32.350 31.486 0.864 1
1 621 . 29 1 1 X 56 56 ASP H H 49 10.605 7.422 3.183 1
1 622 . 29 1 1 X 56 56 ASP HA H 49 4.712 4.961 -0.249 1
1 625 . 29 1 1 X 56 56 ASP C C 49 178.187 177.149 1.038 1
1 626 . 29 1 1 X 56 56 ASP CA C 49 54.989 53.019 1.970 1
1 627 . 29 1 1 X 56 56 ASP CB C 49 40.657 42.079 -1.422 1
1 628 . 29 1 1 X 56 56 ASP N N 49 121.022 118.016 3.006 1
1 629 . 29 1 1 X 57 57 GLY H H 50 8.011 8.200 -0.189 1
1 630 . 29 1 1 X 57 57 GLY HA2 H 50 4.122 3.858 0.264 1
1 631 . 29 1 1 X 57 57 GLY HA3 H 50 3.701 3.898 -0.197 1
1 632 . 29 1 1 X 57 57 GLY C C 50 175.337 176.040 -0.703 1
1 633 . 29 1 1 X 57 57 GLY CA C 50 47.435 47.418 0.017 1
1 634 . 29 1 1 X 57 57 GLY N N 50 108.190 110.028 -1.838 1
1 635 . 29 1 1 X 58 58 THR H H 51 9.047 8.242 0.805 1
1 636 . 29 1 1 X 58 58 THR HA H 51 3.730 4.225 -0.495 1
1 641 . 29 1 1 X 58 58 THR C C 51 176.082 176.891 -0.809 1
1 642 . 29 1 1 X 58 58 THR CA C 51 64.795 65.272 -0.477 1
1 643 . 29 1 1 X 58 58 THR CB C 51 68.398 69.096 -0.698 1
1 645 . 29 1 1 X 58 58 THR N N 51 114.996 117.520 -2.524 1
1 646 . 29 1 1 X 59 59 ALA H H 52 8.142 8.149 -0.007 1
1 647 . 29 1 1 X 59 59 ALA HA H 52 4.205 4.417 -0.212 1
1 651 . 29 1 1 X 59 59 ALA C C 52 179.373 180.075 -0.702 1
1 652 . 29 1 1 X 59 59 ALA CA C 52 55.625 54.765 0.860 1
1 653 . 29 1 1 X 59 59 ALA CB C 52 18.416 18.523 -0.107 1
1 654 . 29 1 1 X 59 59 ALA N N 52 125.565 123.750 1.815 1
1 655 . 29 1 1 X 60 60 LEU H H 53 7.399 8.391 -0.992 1
1 656 . 29 1 1 X 60 60 LEU HA H 53 3.835 3.961 -0.126 1
1 666 . 29 1 1 X 60 60 LEU C C 53 178.601 179.127 -0.526 1
1 667 . 29 1 1 X 60 60 LEU CA C 53 58.031 58.223 -0.192 1
1 668 . 29 1 1 X 60 60 LEU CB C 53 43.487 41.723 1.764 1
1 672 . 29 1 1 X 60 60 LEU N N 53 114.763 118.873 -4.110 1
1 673 . 29 1 1 X 61 61 ILE H H 54 6.855 7.589 -0.734 1
1 674 . 29 1 1 X 61 61 ILE HA H 54 3.518 3.406 0.112 1
1 684 . 29 1 1 X 61 61 ILE C C 54 178.595 177.792 0.803 1
1 685 . 29 1 1 X 61 61 ILE CA C 54 62.989 65.017 -2.028 1
1 686 . 29 1 1 X 61 61 ILE CB C 54 38.424 37.314 1.110 1
1 690 . 29 1 1 X 61 61 ILE N N 54 114.394 120.005 -5.611 1
1 691 . 29 1 1 X 62 62 TYR H H 55 7.489 7.924 -0.435 1
1 692 . 29 1 1 X 62 62 TYR HA H 55 4.243 4.327 -0.084 1
1 699 . 29 1 1 X 62 62 TYR C C 55 178.634 178.861 -0.227 1
1 700 . 29 1 1 X 62 62 TYR CA C 55 61.518 60.760 0.758 1
1 701 . 29 1 1 X 62 62 TYR CB C 55 37.566 38.023 -0.457 1
1 706 . 29 1 1 X 62 62 TYR N N 55 117.898 119.621 -1.723 1
1 707 . 29 1 1 X 63 63 GLU H H 56 8.659 8.940 -0.281 1
1 708 . 29 1 1 X 63 63 GLU HA H 56 4.441 4.139 0.302 1
1 713 . 29 1 1 X 63 63 GLU C C 56 177.785 178.881 -1.096 1
1 714 . 29 1 1 X 63 63 GLU CA C 56 57.658 59.394 -1.736 1
1 715 . 29 1 1 X 63 63 GLU CB C 56 29.034 29.144 -0.110 1
1 717 . 29 1 1 X 63 63 GLU N N 56 119.392 117.682 1.710 1
1 718 . 29 1 1 X 64 64 ALA H H 57 7.164 8.342 -1.178 1
1 719 . 29 1 1 X 64 64 ALA HA H 57 4.021 4.121 -0.100 1
1 723 . 29 1 1 X 64 64 ALA C C 57 180.327 179.957 0.370 1
1 724 . 29 1 1 X 64 64 ALA CA C 57 55.759 54.938 0.821 1
1 725 . 29 1 1 X 64 64 ALA CB C 57 18.615 18.146 0.469 1
1 726 . 29 1 1 X 64 64 ALA N N 57 121.778 122.360 -0.582 1
1 727 . 29 1 1 X 65 65 ALA H H 58 8.076 8.166 -0.090 1
1 728 . 29 1 1 X 65 65 ALA HA H 58 4.137 4.009 0.128 1
1 732 . 29 1 1 X 65 65 ALA C C 58 180.248 179.479 0.769 1
1 733 . 29 1 1 X 65 65 ALA CA C 58 55.104 55.009 0.095 1
1 734 . 29 1 1 X 65 65 ALA CB C 58 18.071 18.219 -0.148 1
1 735 . 29 1 1 X 65 65 ALA N N 58 120.307 119.978 0.329 1
1 736 . 29 1 1 X 66 66 ALA H H 59 7.893 7.838 0.055 1
1 737 . 29 1 1 X 66 66 ALA HA H 59 4.170 4.064 0.106 1
1 741 . 29 1 1 X 66 66 ALA C C 59 180.838 179.721 1.117 1
1 742 . 29 1 1 X 66 66 ALA CA C 59 54.800 55.171 -0.371 1
1 743 . 29 1 1 X 66 66 ALA CB C 59 18.184 17.786 0.398 1
1 744 . 29 1 1 X 66 66 ALA N N 59 122.126 119.093 3.033 1
1 745 . 29 1 1 X 67 67 ARG H H 60 8.139 8.749 -0.610 1
1 746 . 29 1 1 X 67 67 ARG HA H 60 4.065 3.993 0.072 1
1 753 . 29 1 1 X 67 67 ARG C C 60 178.779 178.547 0.232 1
1 754 . 29 1 1 X 67 67 ARG CA C 60 59.282 59.767 -0.485 1
1 755 . 29 1 1 X 67 67 ARG CB C 60 30.863 29.945 0.918 1
1 758 . 29 1 1 X 67 67 ARG N N 60 118.948 118.062 0.886 1
1 759 . 29 1 1 X 68 68 ALA H H 61 7.891 8.145 -0.254 1
1 760 . 29 1 1 X 68 68 ALA HA H 61 4.141 4.138 0.003 1
1 764 . 29 1 1 X 68 68 ALA C C 61 179.329 179.667 -0.338 1
1 765 . 29 1 1 X 68 68 ALA CA C 61 54.340 53.971 0.369 1
1 766 . 29 1 1 X 68 68 ALA CB C 61 18.528 18.428 0.100 1
1 767 . 29 1 1 X 68 68 ALA N N 61 121.473 122.259 -0.786 1
1 768 . 29 1 1 X 69 69 ALA H H 62 7.663 7.847 -0.184 1
1 769 . 29 1 1 X 69 69 ALA HA H 62 4.133 4.081 0.052 1
1 773 . 29 1 1 X 69 69 ALA C C 62 178.591 179.554 -0.963 1
1 774 . 29 1 1 X 69 69 ALA CA C 62 53.863 54.958 -1.095 1
1 775 . 29 1 1 X 69 69 ALA CB C 62 18.438 18.236 0.202 1
1 776 . 29 1 1 X 69 69 ALA N N 62 118.937 120.123 -1.186 1
1 777 . 29 1 1 X 70 70 ALA H H 63 7.488 7.212 0.276 1
1 778 . 29 1 1 X 70 70 ALA HA H 63 4.280 4.252 0.028 1
1 782 . 29 1 1 X 70 70 ALA C C 63 177.318 177.518 -0.200 1
1 783 . 29 1 1 X 70 70 ALA CA C 63 52.981 54.218 -1.237 1
1 784 . 29 1 1 X 70 70 ALA CB C 63 19.324 19.698 -0.374 1
1 785 . 29 1 1 X 70 70 ALA N N 63 118.642 118.084 0.558 1
1 786 . 29 1 1 X 71 71 ASN H H 64 7.631 8.635 -1.004 1
1 787 . 29 1 1 X 71 71 ASN HA H 64 5.077 4.406 0.671 1
1 792 . 29 1 1 X 71 71 ASN CA C 64 50.877 53.906 -3.029 1
1 793 . 29 1 1 X 71 71 ASN CB C 64 39.243 36.979 2.264 1
1 795 . 29 1 1 X 71 71 ASN N N 64 116.008 116.139 -0.131 1
1 797 . 29 1 1 X 72 72 PRO HA H 65 4.468 4.331 0.137 1
1 804 . 29 1 1 X 72 72 PRO CA C 65 64.454 63.770 0.684 1
1 805 . 29 1 1 X 72 72 PRO CB C 65 32.007 31.247 0.760 1
1 808 . 29 1 1 X 73 73 GLY H H 66 8.608 8.647 -0.039 1
1 809 . 29 1 1 X 73 73 GLY HA2 H 66 3.978 3.917 0.061 1
1 810 . 29 1 1 X 73 73 GLY HA3 H 66 3.978 3.918 0.060 1
1 811 . 29 1 1 X 73 73 GLY C C 66 175.054 174.133 0.921 1
1 812 . 29 1 1 X 73 73 GLY CA C 66 45.521 45.688 -0.167 1
1 813 . 29 1 1 X 73 73 GLY N N 66 109.435 112.738 -3.303 1
1 814 . 29 1 1 X 74 74 GLY H H 67 8.085 8.541 -0.456 1
1 815 . 29 1 1 X 74 74 GLY HA2 H 67 4.132 4.039 0.093 1
1 816 . 29 1 1 X 74 74 GLY HA3 H 67 3.896 4.041 -0.145 1
1 817 . 29 1 1 X 74 74 GLY C C 67 174.008 174.216 -0.208 1
1 818 . 29 1 1 X 74 74 GLY CA C 67 45.450 45.344 0.106 1
1 819 . 29 1 1 X 74 74 GLY N N 67 108.472 107.044 1.428 1
1 820 . 29 1 1 X 75 75 ASP H H 68 8.307 8.087 0.220 1
1 821 . 29 1 1 X 75 75 ASP HA H 68 4.646 5.079 -0.433 1
1 824 . 29 1 1 X 75 75 ASP C C 68 176.933 176.912 0.021 1
1 825 . 29 1 1 X 75 75 ASP CA C 68 54.226 53.459 0.767 1
1 826 . 29 1 1 X 75 75 ASP CB C 68 41.486 42.468 -0.982 1
1 827 . 29 1 1 X 75 75 ASP N N 68 119.941 120.249 -0.308 1
1 828 . 29 1 1 X 76 76 GLY H H 69 8.502 8.540 -0.038 1
1 829 . 29 1 1 X 76 76 GLY HA2 H 69 3.966 4.063 -0.097 1
1 830 . 29 1 1 X 76 76 GLY HA3 H 69 3.951 4.069 -0.118 1
1 831 . 29 1 1 X 76 76 GLY C C 69 174.771 175.022 -0.251 1
1 832 . 29 1 1 X 76 76 GLY CA C 69 45.744 45.359 0.385 1
1 833 . 29 1 1 X 76 76 GLY N N 69 109.061 109.551 -0.490 1
1 834 . 29 1 1 X 77 77 GLY H H 70 8.367 7.912 0.455 1
1 835 . 29 1 1 X 77 77 GLY HA2 H 70 4.092 4.038 0.054 1
1 836 . 29 1 1 X 77 77 GLY HA3 H 70 3.920 4.039 -0.119 1
1 837 . 29 1 1 X 77 77 GLY C C 70 174.782 174.207 0.575 1
1 838 . 29 1 1 X 77 77 GLY CA C 70 45.327 44.677 0.650 1
1 839 . 29 1 1 X 77 77 GLY N N 70 108.393 108.162 0.231 1
1 840 . 29 1 1 X 78 78 GLY H H 71 8.263 8.606 -0.343 1
1 841 . 29 1 1 X 78 78 GLY HA2 H 71 4.205 4.100 0.105 1
1 842 . 29 1 1 X 78 78 GLY HA3 H 71 4.092 4.114 -0.022 1
1 843 . 29 1 1 X 78 78 GLY CA C 71 45.581 44.816 0.765 1
1 844 . 29 1 1 X 78 78 GLY N N 71 108.388 107.970 0.418 1
1 845 . 29 1 1 X 79 79 PRO HA H 72 4.199 4.288 -0.089 1
1 852 . 29 1 1 X 79 79 PRO C C 72 178.000 177.956 0.044 1
1 853 . 29 1 1 X 79 79 PRO CA C 72 65.568 65.212 0.356 1
1 854 . 29 1 1 X 79 79 PRO CB C 72 32.864 32.049 0.815 1
1 857 . 29 1 1 X 80 80 GLU H H 73 9.283 8.625 0.658 1
1 858 . 29 1 1 X 80 80 GLU HA H 73 3.833 4.181 -0.348 1
1 863 . 29 1 1 X 80 80 GLU C C 73 179.587 177.876 1.711 1
1 864 . 29 1 1 X 80 80 GLU CA C 73 61.125 58.526 2.599 1
1 865 . 29 1 1 X 80 80 GLU CB C 73 28.576 29.235 -0.659 1
1 867 . 29 1 1 X 80 80 GLU N N 73 117.078 117.011 0.067 1
1 868 . 29 1 1 X 81 81 GLY H H 74 7.926 7.981 -0.055 1
1 869 . 29 1 1 X 81 81 GLY HA2 H 74 3.964 4.029 -0.065 1
1 870 . 29 1 1 X 81 81 GLY HA3 H 74 3.914 4.048 -0.134 1
1 871 . 29 1 1 X 81 81 GLY C C 74 176.538 175.467 1.071 1
1 872 . 29 1 1 X 81 81 GLY CA C 74 47.084 45.585 1.499 1
1 873 . 29 1 1 X 81 81 GLY N N 74 108.577 108.333 0.244 1
1 874 . 29 1 1 X 82 82 ILE H H 75 7.593 7.736 -0.143 1
1 875 . 29 1 1 X 82 82 ILE HA H 75 3.873 3.849 0.024 1
1 885 . 29 1 1 X 82 82 ILE C C 75 178.147 178.206 -0.059 1
1 886 . 29 1 1 X 82 82 ILE CA C 75 65.342 64.843 0.499 1
1 887 . 29 1 1 X 82 82 ILE CB C 75 38.163 37.485 0.678 1
1 891 . 29 1 1 X 82 82 ILE N N 75 123.572 122.439 1.133 1
1 892 . 29 1 1 X 83 83 VAL H H 76 8.135 7.790 0.345 1
1 893 . 29 1 1 X 83 83 VAL HA H 76 3.575 4.200 -0.625 1
1 901 . 29 1 1 X 83 83 VAL C C 76 177.094 178.376 -1.282 1
1 902 . 29 1 1 X 83 83 VAL CA C 76 68.153 65.757 2.396 1
1 903 . 29 1 1 X 83 83 VAL CB C 76 31.653 31.444 0.209 1
1 906 . 29 1 1 X 83 83 VAL N N 76 118.553 121.249 -2.696 1
1 907 . 29 1 1 X 84 84 LYS H H 77 7.803 8.236 -0.433 1
1 908 . 29 1 1 X 84 84 LYS HA H 77 4.006 4.113 -0.107 1
1 917 . 29 1 1 X 84 84 LYS C C 77 178.064 178.701 -0.637 1
1 918 . 29 1 1 X 84 84 LYS CA C 77 60.516 59.534 0.982 1
1 919 . 29 1 1 X 84 84 LYS CB C 77 32.849 32.412 0.437 1
1 923 . 29 1 1 X 84 84 LYS N N 77 119.572 121.242 -1.670 1
1 924 . 29 1 1 X 85 85 GLU H H 78 7.629 7.897 -0.268 1
1 925 . 29 1 1 X 85 85 GLU HA H 78 4.246 4.242 0.004 1
1 930 . 29 1 1 X 85 85 GLU C C 78 179.834 179.447 0.387 1
1 931 . 29 1 1 X 85 85 GLU CA C 78 59.752 59.045 0.707 1
1 932 . 29 1 1 X 85 85 GLU CB C 78 29.189 29.123 0.066 1
1 934 . 29 1 1 X 85 85 GLU N N 78 118.366 118.366 0.000 1
1 935 . 29 1 1 X 86 86 ILE H H 79 8.432 8.179 0.253 1
1 936 . 29 1 1 X 86 86 ILE HA H 79 3.781 3.733 0.048 1
1 946 . 29 1 1 X 86 86 ILE C C 79 177.578 178.166 -0.588 1
1 947 . 29 1 1 X 86 86 ILE CA C 79 65.454 64.960 0.494 1
1 948 . 29 1 1 X 86 86 ILE CB C 79 37.940 37.879 0.061 1
1 952 . 29 1 1 X 86 86 ILE N N 79 118.975 120.815 -1.840 1
1 953 . 29 1 1 X 87 87 LYS H H 80 9.096 8.661 0.435 1
1 954 . 29 1 1 X 87 87 LYS HA H 80 3.958 3.802 0.156 1
1 963 . 29 1 1 X 87 87 LYS C C 80 180.285 178.399 1.886 1
1 964 . 29 1 1 X 87 87 LYS CA C 80 60.290 58.990 1.300 1
1 965 . 29 1 1 X 87 87 LYS CB C 80 33.299 32.058 1.241 1
1 969 . 29 1 1 X 87 87 LYS N N 80 119.805 120.443 -0.638 1
1 970 . 29 1 1 X 88 88 GLU H H 81 8.508 7.744 0.764 1
1 971 . 29 1 1 X 88 88 GLU HA H 81 4.099 4.071 0.028 1
1 976 . 29 1 1 X 88 88 GLU C C 81 179.195 178.863 0.332 1
1 977 . 29 1 1 X 88 88 GLU CA C 81 59.632 59.114 0.518 1
1 978 . 29 1 1 X 88 88 GLU CB C 81 29.649 29.418 0.231 1
1 980 . 29 1 1 X 88 88 GLU N N 81 118.920 119.403 -0.483 1
1 981 . 29 1 1 X 89 89 TRP H H 82 8.682 7.982 0.700 1
1 982 . 29 1 1 X 89 89 TRP HA H 82 4.201 4.295 -0.094 1
1 991 . 29 1 1 X 89 89 TRP C C 82 179.807 177.911 1.896 1
1 992 . 29 1 1 X 89 89 TRP CA C 82 63.110 60.708 2.402 1
1 993 . 29 1 1 X 89 89 TRP CB C 82 29.285 29.761 -0.476 1
1 999 . 29 1 1 X 89 89 TRP N N 82 122.152 122.082 0.070 1
1 1001 . 29 1 1 X 90 90 ARG H H 83 9.025 8.753 0.272 1
1 1002 . 29 1 1 X 90 90 ARG HA H 83 3.295 3.929 -0.634 1
1 1009 . 29 1 1 X 90 90 ARG C C 83 178.120 177.937 0.183 1
1 1010 . 29 1 1 X 90 90 ARG CA C 83 60.895 59.730 1.165 1
1 1011 . 29 1 1 X 90 90 ARG CB C 83 28.668 29.604 -0.936 1
1 1014 . 29 1 1 X 90 90 ARG N N 83 118.380 119.335 -0.955 1
1 1015 . 29 1 1 X 91 91 ALA H H 84 7.759 7.921 -0.162 1
1 1016 . 29 1 1 X 91 91 ALA HA H 84 4.151 4.079 0.072 1
1 1020 . 29 1 1 X 91 91 ALA C C 84 181.466 179.958 1.508 1
1 1021 . 29 1 1 X 91 91 ALA CA C 84 55.217 54.864 0.353 1
1 1022 . 29 1 1 X 91 91 ALA CB C 84 18.175 17.930 0.245 1
1 1023 . 29 1 1 X 91 91 ALA N N 84 120.210 120.576 -0.366 1
1 1024 . 29 1 1 X 92 92 ALA H H 85 7.943 8.067 -0.124 1
1 1025 . 29 1 1 X 92 92 ALA HA H 85 4.081 4.001 0.080 1
1 1029 . 29 1 1 X 92 92 ALA C C 85 178.324 179.625 -1.301 1
1 1030 . 29 1 1 X 92 92 ALA CA C 85 54.244 55.119 -0.875 1
1 1031 . 29 1 1 X 92 92 ALA CB C 85 18.306 17.811 0.495 1
1 1032 . 29 1 1 X 92 92 ALA N N 85 120.470 120.312 0.158 1
1 1033 . 29 1 1 X 93 93 ASN H H 86 7.005 7.884 -0.879 1
1 1034 . 29 1 1 X 93 93 ASN HA H 86 4.475 4.420 0.055 1
1 1039 . 29 1 1 X 93 93 ASN C C 86 174.108 175.324 -1.216 1
1 1040 . 29 1 1 X 93 93 ASN CA C 86 53.347 53.258 0.089 1
1 1041 . 29 1 1 X 93 93 ASN CB C 86 39.379 38.328 1.051 1
1 1043 . 29 1 1 X 93 93 ASN N N 86 113.372 113.732 -0.360 1
1 1045 . 29 1 1 X 94 94 GLY H H 87 7.535 7.832 -0.297 1
1 1046 . 29 1 1 X 94 94 GLY HA2 H 87 3.810 3.865 -0.055 1
1 1047 . 29 1 1 X 94 94 GLY HA3 H 87 3.810 3.869 -0.059 1
1 1048 . 29 1 1 X 94 94 GLY C C 87 174.481 174.002 0.479 1
1 1049 . 29 1 1 X 94 94 GLY CA C 87 47.230 45.538 1.692 1
1 1050 . 29 1 1 X 94 94 GLY N N 87 108.152 107.195 0.957 1
1 1051 . 29 1 1 X 95 95 LYS H H 88 8.037 8.229 -0.192 1
1 1052 . 29 1 1 X 95 95 LYS HA H 88 4.654 4.722 -0.068 1
1 1061 . 29 1 1 X 95 95 LYS CA C 88 53.357 52.952 0.405 1
1 1062 . 29 1 1 X 95 95 LYS CB C 88 32.741 33.311 -0.570 1
1 1066 . 29 1 1 X 95 95 LYS N N 88 119.147 120.096 -0.949 1
1 1067 . 29 1 1 X 96 96 PRO HA H 89 4.275 4.549 -0.274 1
1 1074 . 29 1 1 X 96 96 PRO C C 89 176.696 176.471 0.225 1
1 1075 . 29 1 1 X 96 96 PRO CA C 89 63.482 62.975 0.507 1
1 1076 . 29 1 1 X 96 96 PRO CB C 89 32.981 31.954 1.027 1
1 1079 . 29 1 1 X 97 97 GLY H H 90 8.336 8.319 0.017 1
1 1080 . 29 1 1 X 97 97 GLY HA2 H 90 4.074 3.674 0.400 1
1 1081 . 29 1 1 X 97 97 GLY HA3 H 90 3.615 3.788 -0.173 1
1 1082 . 29 1 1 X 97 97 GLY C C 90 173.388 173.638 -0.250 1
1 1083 . 29 1 1 X 97 97 GLY CA C 90 43.347 44.343 -0.996 1
1 1084 . 29 1 1 X 97 97 GLY N N 90 110.343 107.465 2.878 1
1 1085 . 29 1 1 X 98 98 PHE H H 91 7.749 7.845 -0.096 1
1 1086 . 29 1 1 X 98 98 PHE HA H 91 4.527 4.860 -0.333 1
1 1094 . 29 1 1 X 98 98 PHE C C 91 177.021 175.525 1.496 1
1 1095 . 29 1 1 X 98 98 PHE CA C 91 59.184 58.038 1.146 1
1 1096 . 29 1 1 X 98 98 PHE CB C 91 40.005 40.598 -0.593 1
1 1102 . 29 1 1 X 98 98 PHE N N 91 116.151 120.565 -4.414 1
1 1103 . 29 1 1 X 99 99 LYS H H 92 8.531 9.121 -0.590 1
1 1104 . 29 1 1 X 99 99 LYS HA H 92 4.178 4.878 -0.700 1
1 1113 . 29 1 1 X 99 99 LYS C C 92 176.542 175.716 0.826 1
1 1114 . 29 1 1 X 99 99 LYS CA C 92 57.292 55.396 1.896 1
1 1115 . 29 1 1 X 99 99 LYS CB C 92 32.875 34.245 -1.370 1
1 1119 . 29 1 1 X 99 99 LYS N N 92 123.602 119.419 4.183 1
1 1120 . 29 1 1 X 100 100 GLN H H 93 8.633 8.558 0.075 1
1 1121 . 29 1 1 X 100 100 GLN HA H 93 4.297 5.268 -0.971 1
1 1128 . 29 1 1 X 100 100 GLN C C 93 175.318 176.135 -0.817 1
1 1129 . 29 1 1 X 100 100 GLN CA C 93 56.479 54.395 2.084 1
1 1130 . 29 1 1 X 100 100 GLN CB C 93 29.751 31.206 -1.455 1
1 1133 . 29 1 1 X 100 100 GLN N N 93 125.089 120.226 4.863 1
1 12 . 30 1 1 X 10 10 LEU H H 3 8.121 8.558 -0.437 1
1 13 . 30 1 1 X 10 10 LEU HA H 3 4.240 4.890 -0.650 1
1 23 . 30 1 1 X 10 10 LEU C C 3 176.909 176.417 0.492 1
1 24 . 30 1 1 X 10 10 LEU CA C 3 54.748 53.694 1.054 1
1 25 . 30 1 1 X 10 10 LEU CB C 3 41.272 43.462 -2.190 1
1 29 . 30 1 1 X 10 10 LEU N N 3 123.688 123.340 0.348 1
1 30 . 30 1 1 X 11 11 LYS H H 4 7.677 8.847 -1.170 1
1 31 . 30 1 1 X 11 11 LYS HA H 4 4.404 4.627 -0.223 1
1 40 . 30 1 1 X 11 11 LYS C C 4 176.184 176.908 -0.724 1
1 41 . 30 1 1 X 11 11 LYS CA C 4 55.828 54.577 1.251 1
1 42 . 30 1 1 X 11 11 LYS CB C 4 33.482 33.950 -0.468 1
1 46 . 30 1 1 X 11 11 LYS N N 4 122.221 121.793 0.428 1
1 47 . 30 1 1 X 12 12 ASN H H 5 8.538 8.812 -0.274 1
1 48 . 30 1 1 X 12 12 ASN HA H 5 4.685 5.157 -0.472 1
1 53 . 30 1 1 X 12 12 ASN C C 5 174.925 175.040 -0.115 1
1 54 . 30 1 1 X 12 12 ASN CA C 5 55.721 54.007 1.714 1
1 55 . 30 1 1 X 12 12 ASN CB C 5 40.409 41.110 -0.701 1
1 57 . 30 1 1 X 12 12 ASN N N 5 116.610 118.100 -1.490 1
1 59 . 30 1 1 X 13 13 SER H H 6 8.144 7.738 0.406 1
1 60 . 30 1 1 X 13 13 SER HA H 6 4.819 4.787 0.032 1
1 63 . 30 1 1 X 13 13 SER C C 6 175.123 175.009 0.114 1
1 64 . 30 1 1 X 13 13 SER CA C 6 56.778 55.915 0.863 1
1 65 . 30 1 1 X 13 13 SER CB C 6 65.949 66.796 -0.847 1
1 66 . 30 1 1 X 13 13 SER N N 6 112.138 110.164 1.974 1
1 67 . 30 1 1 X 14 14 ILE H H 7 9.318 8.869 0.449 1
1 68 . 30 1 1 X 14 14 ILE HA H 7 3.966 4.313 -0.347 1
1 78 . 30 1 1 X 14 14 ILE C C 7 175.537 178.459 -2.922 1
1 79 . 30 1 1 X 14 14 ILE CA C 7 64.956 63.969 0.987 1
1 80 . 30 1 1 X 14 14 ILE CB C 7 37.062 38.007 -0.945 1
1 84 . 30 1 1 X 14 14 ILE N N 7 126.034 125.000 1.034 1
1 85 . 30 1 1 X 15 15 SER H H 8 7.504 8.271 -0.767 1
1 86 . 30 1 1 X 15 15 SER HA H 8 4.694 4.386 0.308 1
1 89 . 30 1 1 X 15 15 SER C C 8 174.278 174.657 -0.379 1
1 90 . 30 1 1 X 15 15 SER CA C 8 59.481 61.349 -1.868 1
1 91 . 30 1 1 X 15 15 SER CB C 8 63.241 63.288 -0.047 1
1 92 . 30 1 1 X 15 15 SER N N 8 112.517 117.715 -5.198 1
1 93 . 30 1 1 X 16 16 ASP H H 9 7.783 7.738 0.045 1
1 94 . 30 1 1 X 16 16 ASP HA H 9 4.791 4.737 0.054 1
1 97 . 30 1 1 X 16 16 ASP C C 9 175.976 175.844 0.132 1
1 98 . 30 1 1 X 16 16 ASP CA C 9 55.243 53.375 1.868 1
1 99 . 30 1 1 X 16 16 ASP CB C 9 43.327 41.091 2.236 1
1 100 . 30 1 1 X 16 16 ASP N N 9 117.795 119.738 -1.943 1
1 101 . 30 1 1 X 17 17 TYR H H 10 8.279 7.896 0.383 1
1 102 . 30 1 1 X 17 17 TYR HA H 10 4.962 5.053 -0.091 1
1 109 . 30 1 1 X 17 17 TYR C C 10 177.535 176.185 1.350 1
1 110 . 30 1 1 X 17 17 TYR CA C 10 58.573 57.534 1.039 1
1 111 . 30 1 1 X 17 17 TYR CB C 10 41.015 40.414 0.601 1
1 116 . 30 1 1 X 17 17 TYR N N 10 120.484 119.125 1.359 1
1 117 . 30 1 1 X 18 18 THR H H 11 8.796 8.938 -0.142 1
1 118 . 30 1 1 X 18 18 THR HA H 11 5.040 4.867 0.173 1
1 123 . 30 1 1 X 18 18 THR C C 11 176.099 175.969 0.130 1
1 124 . 30 1 1 X 18 18 THR CA C 11 60.775 60.492 0.283 1
1 125 . 30 1 1 X 18 18 THR CB C 11 71.041 71.569 -0.528 1
1 127 . 30 1 1 X 18 18 THR N N 11 112.143 116.180 -4.037 1
1 128 . 30 1 1 X 19 19 GLU H H 12 9.173 8.950 0.223 1
1 129 . 30 1 1 X 19 19 GLU HA H 12 2.757 3.404 -0.647 1
1 134 . 30 1 1 X 19 19 GLU C C 12 178.378 178.479 -0.101 1
1 135 . 30 1 1 X 19 19 GLU CA C 12 60.906 59.486 1.420 1
1 136 . 30 1 1 X 19 19 GLU CB C 12 29.442 29.259 0.183 1
1 138 . 30 1 1 X 19 19 GLU N N 12 122.386 121.323 1.063 1
1 139 . 30 1 1 X 20 20 ALA H H 13 8.356 8.040 0.316 1
1 140 . 30 1 1 X 20 20 ALA HA H 13 4.069 4.128 -0.059 1
1 144 . 30 1 1 X 20 20 ALA C C 13 181.816 179.707 2.109 1
1 145 . 30 1 1 X 20 20 ALA CA C 13 55.388 54.861 0.527 1
1 146 . 30 1 1 X 20 20 ALA CB C 13 18.308 18.448 -0.140 1
1 147 . 30 1 1 X 20 20 ALA N N 13 118.695 121.894 -3.199 1
1 148 . 30 1 1 X 21 21 GLU H H 14 8.013 8.070 -0.057 1
1 149 . 30 1 1 X 21 21 GLU HA H 14 4.131 4.140 -0.009 1
1 154 . 30 1 1 X 21 21 GLU C C 14 179.649 179.143 0.506 1
1 155 . 30 1 1 X 21 21 GLU CA C 14 58.916 58.679 0.237 1
1 156 . 30 1 1 X 21 21 GLU CB C 14 31.632 29.510 2.122 1
1 158 . 30 1 1 X 21 21 GLU N N 14 118.978 119.582 -0.604 1
1 159 . 30 1 1 X 22 22 PHE H H 15 8.635 8.289 0.346 1
1 160 . 30 1 1 X 22 22 PHE HA H 15 4.049 4.152 -0.103 1
1 167 . 30 1 1 X 22 22 PHE C C 15 177.402 177.614 -0.212 1
1 168 . 30 1 1 X 22 22 PHE CA C 15 62.183 61.214 0.969 1
1 169 . 30 1 1 X 22 22 PHE CB C 15 40.545 38.876 1.669 1
1 174 . 30 1 1 X 22 22 PHE N N 15 124.639 122.856 1.783 1
1 175 . 30 1 1 X 23 23 VAL H H 16 8.647 8.351 0.296 1
1 176 . 30 1 1 X 23 23 VAL HA H 16 3.416 3.757 -0.341 1
1 184 . 30 1 1 X 23 23 VAL C C 16 177.798 177.707 0.091 1
1 185 . 30 1 1 X 23 23 VAL CA C 16 67.917 66.703 1.214 1
1 186 . 30 1 1 X 23 23 VAL CB C 16 31.579 30.993 0.586 1
1 189 . 30 1 1 X 23 23 VAL N N 16 119.817 118.725 1.092 1
1 190 . 30 1 1 X 24 24 GLN H H 17 7.569 8.265 -0.696 1
1 191 . 30 1 1 X 24 24 GLN HA H 17 3.943 3.979 -0.036 1
1 198 . 30 1 1 X 24 24 GLN C C 17 178.313 178.065 0.248 1
1 199 . 30 1 1 X 24 24 GLN CA C 17 59.289 59.199 0.090 1
1 200 . 30 1 1 X 24 24 GLN CB C 17 27.814 28.100 -0.286 1
1 203 . 30 1 1 X 24 24 GLN N N 17 117.658 121.272 -3.614 1
1 205 . 30 1 1 X 25 25 LEU H H 18 7.512 7.742 -0.230 1
1 206 . 30 1 1 X 25 25 LEU HA H 18 4.136 4.011 0.125 1
1 216 . 30 1 1 X 25 25 LEU C C 18 178.440 178.048 0.392 1
1 217 . 30 1 1 X 25 25 LEU CA C 18 58.651 58.109 0.542 1
1 218 . 30 1 1 X 25 25 LEU CB C 18 40.626 41.154 -0.528 1
1 222 . 30 1 1 X 25 25 LEU N N 18 122.037 120.797 1.240 1
1 223 . 30 1 1 X 26 26 LEU H H 19 7.761 8.223 -0.462 1
1 224 . 30 1 1 X 26 26 LEU HA H 19 3.748 3.619 0.129 1
1 234 . 30 1 1 X 26 26 LEU C C 19 180.080 179.150 0.930 1
1 235 . 30 1 1 X 26 26 LEU CA C 19 58.041 57.758 0.283 1
1 236 . 30 1 1 X 26 26 LEU CB C 19 41.009 41.247 -0.238 1
1 240 . 30 1 1 X 26 26 LEU N N 19 118.502 118.302 0.200 1
1 241 . 30 1 1 X 27 27 LYS H H 20 8.357 8.158 0.199 1
1 242 . 30 1 1 X 27 27 LYS HA H 20 4.019 3.926 0.093 1
1 251 . 30 1 1 X 27 27 LYS C C 20 179.559 179.601 -0.042 1
1 252 . 30 1 1 X 27 27 LYS CA C 20 59.648 59.999 -0.351 1
1 253 . 30 1 1 X 27 27 LYS CB C 20 31.995 31.934 0.061 1
1 257 . 30 1 1 X 27 27 LYS N N 20 120.427 118.050 2.377 1
1 258 . 30 1 1 X 28 28 GLU H H 21 8.123 7.586 0.537 1
1 259 . 30 1 1 X 28 28 GLU HA H 21 4.082 4.051 0.031 1
1 264 . 30 1 1 X 28 28 GLU C C 21 179.063 179.538 -0.475 1
1 265 . 30 1 1 X 28 28 GLU CA C 21 59.406 59.019 0.387 1
1 266 . 30 1 1 X 28 28 GLU CB C 21 29.146 29.521 -0.375 1
1 268 . 30 1 1 X 28 28 GLU N N 21 122.374 119.826 2.548 1
1 269 . 30 1 1 X 29 29 ILE H H 22 8.049 8.400 -0.351 1
1 270 . 30 1 1 X 29 29 ILE HA H 22 3.343 3.591 -0.248 1
1 280 . 30 1 1 X 29 29 ILE C C 22 177.151 177.953 -0.802 1
1 281 . 30 1 1 X 29 29 ILE CA C 22 66.435 65.344 1.091 1
1 282 . 30 1 1 X 29 29 ILE CB C 22 37.954 37.144 0.810 1
1 286 . 30 1 1 X 29 29 ILE N N 22 120.195 121.260 -1.065 1
1 287 . 30 1 1 X 30 30 GLU H H 23 7.820 8.115 -0.295 1
1 288 . 30 1 1 X 30 30 GLU HA H 23 3.983 3.775 0.208 1
1 293 . 30 1 1 X 30 30 GLU C C 23 178.990 179.027 -0.037 1
1 294 . 30 1 1 X 30 30 GLU CA C 23 59.460 59.799 -0.339 1
1 295 . 30 1 1 X 30 30 GLU CB C 23 30.012 29.386 0.626 1
1 297 . 30 1 1 X 30 30 GLU N N 23 118.917 119.170 -0.253 1
1 298 . 30 1 1 X 31 31 LYS H H 24 7.678 7.723 -0.045 1
1 299 . 30 1 1 X 31 31 LYS HA H 24 4.059 3.998 0.061 1
1 308 . 30 1 1 X 31 31 LYS C C 24 179.231 178.506 0.725 1
1 309 . 30 1 1 X 31 31 LYS CA C 24 59.152 59.531 -0.379 1
1 310 . 30 1 1 X 31 31 LYS CB C 24 32.712 31.993 0.719 1
1 314 . 30 1 1 X 31 31 LYS N N 24 118.807 118.618 0.189 1
1 315 . 30 1 1 X 32 32 GLU H H 25 8.182 7.964 0.218 1
1 316 . 30 1 1 X 32 32 GLU HA H 25 4.309 4.033 0.276 1
1 321 . 30 1 1 X 32 32 GLU C C 25 177.897 179.387 -1.490 1
1 322 . 30 1 1 X 32 32 GLU CA C 25 57.449 59.357 -1.908 1
1 323 . 30 1 1 X 32 32 GLU CB C 25 29.522 28.848 0.674 1
1 325 . 30 1 1 X 32 32 GLU N N 25 118.578 119.415 -0.837 1
1 326 . 30 1 1 X 33 33 ASN H H 26 8.343 8.018 0.325 1
1 327 . 30 1 1 X 33 33 ASN HA H 26 4.608 4.377 0.231 1
1 330 . 30 1 1 X 33 33 ASN C C 26 176.524 177.432 -0.908 1
1 331 . 30 1 1 X 33 33 ASN CA C 26 55.463 56.229 -0.766 1
1 332 . 30 1 1 X 33 33 ASN CB C 26 39.074 38.720 0.354 1
1 333 . 30 1 1 X 33 33 ASN N N 26 118.483 118.113 0.370 1
1 334 . 30 1 1 X 34 34 VAL H H 27 7.434 8.344 -0.910 1
1 335 . 30 1 1 X 34 34 VAL HA H 27 4.182 3.928 0.254 1
1 343 . 30 1 1 X 34 34 VAL C C 27 176.315 177.529 -1.214 1
1 344 . 30 1 1 X 34 34 VAL CA C 27 62.829 63.528 -0.699 1
1 345 . 30 1 1 X 34 34 VAL CB C 27 32.178 31.606 0.572 1
1 348 . 30 1 1 X 34 34 VAL N N 27 114.036 116.432 -2.396 1
1 349 . 30 1 1 X 35 35 ALA H H 28 7.648 7.514 0.134 1
1 350 . 30 1 1 X 35 35 ALA HA H 28 4.346 4.304 0.042 1
1 354 . 30 1 1 X 35 35 ALA C C 28 177.126 176.798 0.328 1
1 355 . 30 1 1 X 35 35 ALA CA C 28 52.712 51.946 0.766 1
1 356 . 30 1 1 X 35 35 ALA CB C 28 19.915 18.988 0.927 1
1 357 . 30 1 1 X 35 35 ALA N N 28 124.066 123.836 0.230 1
1 358 . 30 1 1 X 36 36 ALA H H 29 8.337 7.885 0.452 1
1 359 . 30 1 1 X 36 36 ALA HA H 29 4.260 4.003 0.257 1
1 363 . 30 1 1 X 36 36 ALA C C 29 177.999 176.144 1.855 1
1 364 . 30 1 1 X 36 36 ALA CA C 29 53.660 52.858 0.802 1
1 365 . 30 1 1 X 36 36 ALA CB C 29 19.175 17.396 1.779 1
1 366 . 30 1 1 X 36 36 ALA N N 29 121.695 120.147 1.548 1
1 367 . 30 1 1 X 37 37 THR H H 30 8.093 7.983 0.110 1
1 368 . 30 1 1 X 37 37 THR HA H 30 4.533 4.791 -0.258 1
1 373 . 30 1 1 X 37 37 THR C C 30 174.715 173.958 0.757 1
1 374 . 30 1 1 X 37 37 THR CA C 30 60.860 60.385 0.475 1
1 375 . 30 1 1 X 37 37 THR CB C 30 70.424 69.928 0.496 1
1 377 . 30 1 1 X 37 37 THR N N 30 110.112 107.722 2.390 1
1 378 . 30 1 1 X 38 38 ASP H H 31 8.488 8.498 -0.010 1
1 379 . 30 1 1 X 38 38 ASP HA H 31 4.685 4.915 -0.230 1
1 382 . 30 1 1 X 38 38 ASP C C 31 175.896 177.053 -1.157 1
1 383 . 30 1 1 X 38 38 ASP CA C 31 54.704 54.250 0.454 1
1 384 . 30 1 1 X 38 38 ASP CB C 31 41.389 43.358 -1.969 1
1 385 . 30 1 1 X 38 38 ASP N N 31 121.899 120.074 1.825 1
1 386 . 30 1 1 X 39 39 ASP H H 32 8.368 8.302 0.066 1
1 387 . 30 1 1 X 39 39 ASP HA H 32 4.459 4.401 0.058 1
1 390 . 30 1 1 X 39 39 ASP C C 32 177.499 177.951 -0.452 1
1 391 . 30 1 1 X 39 39 ASP CA C 32 56.443 57.261 -0.818 1
1 392 . 30 1 1 X 39 39 ASP CB C 32 40.737 40.751 -0.014 1
1 393 . 30 1 1 X 39 39 ASP N N 32 118.770 120.535 -1.765 1
1 394 . 30 1 1 X 40 40 VAL H H 33 7.963 7.931 0.032 1
1 395 . 30 1 1 X 40 40 VAL HA H 33 3.800 3.744 0.056 1
1 403 . 30 1 1 X 40 40 VAL C C 33 177.362 177.621 -0.259 1
1 404 . 30 1 1 X 40 40 VAL CA C 33 64.970 66.322 -1.352 1
1 405 . 30 1 1 X 40 40 VAL CB C 33 32.256 31.206 1.050 1
1 408 . 30 1 1 X 40 40 VAL N N 33 119.409 119.206 0.203 1
1 409 . 30 1 1 X 41 41 LEU H H 34 8.508 8.042 0.466 1
1 410 . 30 1 1 X 41 41 LEU HA H 34 3.857 3.884 -0.027 1
1 420 . 30 1 1 X 41 41 LEU C C 34 177.633 177.990 -0.357 1
1 421 . 30 1 1 X 41 41 LEU CA C 34 58.428 58.469 -0.041 1
1 422 . 30 1 1 X 41 41 LEU CB C 34 41.755 41.194 0.561 1
1 426 . 30 1 1 X 41 41 LEU N N 34 122.150 120.981 1.169 1
1 427 . 30 1 1 X 42 42 ASP H H 35 8.236 8.198 0.038 1
1 428 . 30 1 1 X 42 42 ASP HA H 35 4.370 4.466 -0.096 1
1 431 . 30 1 1 X 42 42 ASP C C 35 179.155 178.793 0.362 1
1 432 . 30 1 1 X 42 42 ASP CA C 35 57.925 57.460 0.465 1
1 433 . 30 1 1 X 42 42 ASP CB C 35 40.417 40.953 -0.536 1
1 434 . 30 1 1 X 42 42 ASP N N 35 116.374 118.605 -2.231 1
1 435 . 30 1 1 X 43 43 VAL H H 36 7.320 7.678 -0.358 1
1 436 . 30 1 1 X 43 43 VAL HA H 36 3.782 3.628 0.154 1
1 444 . 30 1 1 X 43 43 VAL C C 36 179.309 178.419 0.890 1
1 445 . 30 1 1 X 43 43 VAL CA C 36 66.080 66.708 -0.628 1
1 446 . 30 1 1 X 43 43 VAL CB C 36 32.245 31.750 0.495 1
1 449 . 30 1 1 X 43 43 VAL N N 36 119.754 120.116 -0.362 1
1 450 . 30 1 1 X 44 44 LEU H H 37 8.122 8.456 -0.334 1
1 451 . 30 1 1 X 44 44 LEU HA H 37 4.008 4.030 -0.022 1
1 461 . 30 1 1 X 44 44 LEU C C 37 179.518 179.254 0.264 1
1 462 . 30 1 1 X 44 44 LEU CA C 37 58.048 57.855 0.193 1
1 463 . 30 1 1 X 44 44 LEU CB C 37 42.374 41.763 0.611 1
1 467 . 30 1 1 X 44 44 LEU N N 37 120.608 119.018 1.590 1
1 468 . 30 1 1 X 45 45 LEU H H 38 8.898 8.286 0.612 1
1 469 . 30 1 1 X 45 45 LEU HA H 38 4.030 3.924 0.106 1
1 479 . 30 1 1 X 45 45 LEU C C 38 179.166 179.482 -0.316 1
1 480 . 30 1 1 X 45 45 LEU CA C 38 58.184 58.278 -0.094 1
1 481 . 30 1 1 X 45 45 LEU CB C 38 41.506 41.613 -0.107 1
1 485 . 30 1 1 X 45 45 LEU N N 38 119.199 118.703 0.496 1
1 486 . 30 1 1 X 46 46 GLU H H 39 7.964 8.728 -0.764 1
1 487 . 30 1 1 X 46 46 GLU HA H 39 4.066 4.133 -0.067 1
1 492 . 30 1 1 X 46 46 GLU C C 39 178.995 178.854 0.141 1
1 493 . 30 1 1 X 46 46 GLU CA C 39 59.769 59.305 0.464 1
1 494 . 30 1 1 X 46 46 GLU CB C 39 29.577 29.077 0.500 1
1 496 . 30 1 1 X 46 46 GLU N N 39 119.334 118.124 1.210 1
1 497 . 30 1 1 X 47 47 HIS H H 40 8.009 8.591 -0.582 1
1 498 . 30 1 1 X 47 47 HIS HA H 40 4.416 4.407 0.009 1
1 503 . 30 1 1 X 47 47 HIS C C 40 176.115 177.065 -0.950 1
1 504 . 30 1 1 X 47 47 HIS CA C 40 60.151 58.899 1.252 1
1 505 . 30 1 1 X 47 47 HIS CB C 40 30.389 30.576 -0.187 1
1 508 . 30 1 1 X 47 47 HIS N N 40 119.610 120.316 -0.706 1
1 509 . 30 1 1 X 48 48 PHE H H 41 8.711 8.643 0.068 1
1 510 . 30 1 1 X 48 48 PHE HA H 41 3.808 4.253 -0.445 1
1 518 . 30 1 1 X 48 48 PHE C C 41 178.023 177.259 0.764 1
1 519 . 30 1 1 X 48 48 PHE CA C 41 62.654 61.408 1.246 1
1 520 . 30 1 1 X 48 48 PHE CB C 41 39.408 39.390 0.018 1
1 526 . 30 1 1 X 48 48 PHE N N 41 118.110 120.234 -2.124 1
1 527 . 30 1 1 X 49 49 VAL H H 42 8.439 8.142 0.297 1
1 528 . 30 1 1 X 49 49 VAL HA H 42 3.359 3.569 -0.210 1
1 536 . 30 1 1 X 49 49 VAL C C 42 178.340 177.581 0.759 1
1 537 . 30 1 1 X 49 49 VAL CA C 42 67.276 64.468 2.808 1
1 538 . 30 1 1 X 49 49 VAL CB C 42 32.235 31.395 0.840 1
1 541 . 30 1 1 X 49 49 VAL N N 42 121.301 118.655 2.646 1
1 542 . 30 1 1 X 50 50 LYS H H 43 8.091 8.529 -0.438 1
1 543 . 30 1 1 X 50 50 LYS HA H 43 3.973 4.283 -0.310 1
1 552 . 30 1 1 X 50 50 LYS C C 43 178.985 178.217 0.768 1
1 553 . 30 1 1 X 50 50 LYS CA C 43 59.580 58.963 0.617 1
1 554 . 30 1 1 X 50 50 LYS CB C 43 32.784 31.724 1.060 1
1 558 . 30 1 1 X 50 50 LYS N N 43 120.887 119.859 1.028 1
1 559 . 30 1 1 X 51 51 ILE H H 44 8.347 7.452 0.895 1
1 560 . 30 1 1 X 51 51 ILE HA H 44 4.159 3.854 0.305 1
1 570 . 30 1 1 X 51 51 ILE C C 44 178.121 177.863 0.258 1
1 571 . 30 1 1 X 51 51 ILE CA C 44 62.328 64.223 -1.895 1
1 572 . 30 1 1 X 51 51 ILE CB C 44 37.576 37.523 0.053 1
1 576 . 30 1 1 X 51 51 ILE N N 44 111.354 116.885 -5.531 1
1 577 . 30 1 1 X 52 52 THR H H 45 7.588 7.609 -0.021 1
1 578 . 30 1 1 X 52 52 THR HA H 45 3.683 4.131 -0.448 1
1 583 . 30 1 1 X 52 52 THR C C 45 176.285 174.108 2.177 1
1 584 . 30 1 1 X 52 52 THR CA C 45 65.803 64.947 0.856 1
1 585 . 30 1 1 X 52 52 THR CB C 45 69.689 69.166 0.523 1
1 587 . 30 1 1 X 52 52 THR N N 45 109.646 116.545 -6.899 1
1 588 . 30 1 1 X 53 53 GLU H H 46 7.366 8.173 -0.807 1
1 589 . 30 1 1 X 53 53 GLU HA H 46 3.836 4.025 -0.189 1
1 594 . 30 1 1 X 53 53 GLU C C 46 173.418 174.533 -1.115 1
1 595 . 30 1 1 X 53 53 GLU CA C 46 57.709 57.362 0.347 1
1 596 . 30 1 1 X 53 53 GLU CB C 46 29.067 27.430 1.637 1
1 598 . 30 1 1 X 53 53 GLU N N 46 112.606 119.531 -6.925 1
1 599 . 30 1 1 X 54 54 HIS H H 47 7.127 7.624 -0.497 1
1 600 . 30 1 1 X 54 54 HIS HA H 47 3.070 3.568 -0.498 1
1 605 . 30 1 1 X 54 54 HIS CA C 47 55.826 54.549 1.277 1
1 606 . 30 1 1 X 54 54 HIS CB C 47 32.124 30.768 1.356 1
1 609 . 30 1 1 X 54 54 HIS N N 47 119.651 119.231 0.420 1
1 610 . 30 1 1 X 55 55 PRO HA H 48 4.143 4.331 -0.188 1
1 617 . 30 1 1 X 55 55 PRO CA C 48 64.843 64.481 0.362 1
1 618 . 30 1 1 X 55 55 PRO CB C 48 32.350 31.536 0.814 1
1 621 . 30 1 1 X 56 56 ASP H H 49 10.605 7.557 3.048 1
1 622 . 30 1 1 X 56 56 ASP HA H 49 4.712 5.032 -0.320 1
1 625 . 30 1 1 X 56 56 ASP C C 49 178.187 177.232 0.955 1
1 626 . 30 1 1 X 56 56 ASP CA C 49 54.989 53.821 1.168 1
1 627 . 30 1 1 X 56 56 ASP CB C 49 40.657 41.887 -1.230 1
1 628 . 30 1 1 X 56 56 ASP N N 49 121.022 117.849 3.173 1
1 629 . 30 1 1 X 57 57 GLY H H 50 8.011 8.139 -0.128 1
1 630 . 30 1 1 X 57 57 GLY HA2 H 50 4.122 3.947 0.175 1
1 631 . 30 1 1 X 57 57 GLY HA3 H 50 3.701 4.060 -0.359 1
1 632 . 30 1 1 X 57 57 GLY C C 50 175.337 175.965 -0.628 1
1 633 . 30 1 1 X 57 57 GLY CA C 50 47.435 47.508 -0.073 1
1 634 . 30 1 1 X 57 57 GLY N N 50 108.190 109.293 -1.103 1
1 635 . 30 1 1 X 58 58 THR H H 51 9.047 8.205 0.842 1
1 636 . 30 1 1 X 58 58 THR HA H 51 3.730 4.185 -0.455 1
1 641 . 30 1 1 X 58 58 THR C C 51 176.082 176.577 -0.495 1
1 642 . 30 1 1 X 58 58 THR CA C 51 64.795 65.414 -0.619 1
1 643 . 30 1 1 X 58 58 THR CB C 51 68.398 68.774 -0.376 1
1 645 . 30 1 1 X 58 58 THR N N 51 114.996 117.534 -2.538 1
1 646 . 30 1 1 X 59 59 ALA H H 52 8.142 8.230 -0.088 1
1 647 . 30 1 1 X 59 59 ALA HA H 52 4.205 4.117 0.088 1
1 651 . 30 1 1 X 59 59 ALA C C 52 179.373 180.029 -0.656 1
1 652 . 30 1 1 X 59 59 ALA CA C 52 55.625 55.209 0.416 1
1 653 . 30 1 1 X 59 59 ALA CB C 52 18.416 18.187 0.229 1
1 654 . 30 1 1 X 59 59 ALA N N 52 125.565 123.293 2.272 1
1 655 . 30 1 1 X 60 60 LEU H H 53 7.399 8.392 -0.993 1
1 656 . 30 1 1 X 60 60 LEU HA H 53 3.835 3.972 -0.137 1
1 666 . 30 1 1 X 60 60 LEU C C 53 178.601 179.156 -0.555 1
1 667 . 30 1 1 X 60 60 LEU CA C 53 58.031 58.115 -0.084 1
1 668 . 30 1 1 X 60 60 LEU CB C 53 43.487 42.064 1.423 1
1 672 . 30 1 1 X 60 60 LEU N N 53 114.763 117.942 -3.179 1
1 673 . 30 1 1 X 61 61 ILE H H 54 6.855 7.696 -0.841 1
1 674 . 30 1 1 X 61 61 ILE HA H 54 3.518 3.459 0.059 1
1 684 . 30 1 1 X 61 61 ILE C C 54 178.595 177.824 0.771 1
1 685 . 30 1 1 X 61 61 ILE CA C 54 62.989 65.014 -2.025 1
1 686 . 30 1 1 X 61 61 ILE CB C 54 38.424 37.428 0.996 1
1 690 . 30 1 1 X 61 61 ILE N N 54 114.394 119.507 -5.113 1
1 691 . 30 1 1 X 62 62 TYR H H 55 7.489 8.214 -0.725 1
1 692 . 30 1 1 X 62 62 TYR HA H 55 4.243 4.338 -0.095 1
1 699 . 30 1 1 X 62 62 TYR C C 55 178.634 178.801 -0.167 1
1 700 . 30 1 1 X 62 62 TYR CA C 55 61.518 60.661 0.857 1
1 701 . 30 1 1 X 62 62 TYR CB C 55 37.566 37.876 -0.310 1
1 706 . 30 1 1 X 62 62 TYR N N 55 117.898 119.759 -1.861 1
1 707 . 30 1 1 X 63 63 GLU H H 56 8.659 8.919 -0.260 1
1 708 . 30 1 1 X 63 63 GLU HA H 56 4.441 4.135 0.306 1
1 713 . 30 1 1 X 63 63 GLU C C 56 177.785 178.861 -1.076 1
1 714 . 30 1 1 X 63 63 GLU CA C 56 57.658 59.383 -1.725 1
1 715 . 30 1 1 X 63 63 GLU CB C 56 29.034 29.127 -0.093 1
1 717 . 30 1 1 X 63 63 GLU N N 56 119.392 117.674 1.718 1
1 718 . 30 1 1 X 64 64 ALA H H 57 7.164 8.412 -1.248 1
1 719 . 30 1 1 X 64 64 ALA HA H 57 4.021 4.306 -0.285 1
1 723 . 30 1 1 X 64 64 ALA C C 57 180.327 180.089 0.238 1
1 724 . 30 1 1 X 64 64 ALA CA C 57 55.759 54.983 0.776 1
1 725 . 30 1 1 X 64 64 ALA CB C 57 18.615 17.898 0.717 1
1 726 . 30 1 1 X 64 64 ALA N N 57 121.778 122.352 -0.574 1
1 727 . 30 1 1 X 65 65 ALA H H 58 8.076 8.419 -0.343 1
1 728 . 30 1 1 X 65 65 ALA HA H 58 4.137 3.996 0.141 1
1 732 . 30 1 1 X 65 65 ALA C C 58 180.248 179.380 0.868 1
1 733 . 30 1 1 X 65 65 ALA CA C 58 55.104 54.922 0.182 1
1 734 . 30 1 1 X 65 65 ALA CB C 58 18.071 18.385 -0.314 1
1 735 . 30 1 1 X 65 65 ALA N N 58 120.307 119.475 0.832 1
1 736 . 30 1 1 X 66 66 ALA H H 59 7.893 7.884 0.009 1
1 737 . 30 1 1 X 66 66 ALA HA H 59 4.170 4.035 0.135 1
1 741 . 30 1 1 X 66 66 ALA C C 59 180.838 179.773 1.065 1
1 742 . 30 1 1 X 66 66 ALA CA C 59 54.800 55.083 -0.283 1
1 743 . 30 1 1 X 66 66 ALA CB C 59 18.184 18.032 0.152 1
1 744 . 30 1 1 X 66 66 ALA N N 59 122.126 119.482 2.644 1
1 745 . 30 1 1 X 67 67 ARG H H 60 8.139 8.777 -0.638 1
1 746 . 30 1 1 X 67 67 ARG HA H 60 4.065 3.960 0.105 1
1 753 . 30 1 1 X 67 67 ARG C C 60 178.779 178.375 0.404 1
1 754 . 30 1 1 X 67 67 ARG CA C 60 59.282 59.778 -0.496 1
1 755 . 30 1 1 X 67 67 ARG CB C 60 30.863 29.772 1.091 1
1 758 . 30 1 1 X 67 67 ARG N N 60 118.948 118.312 0.636 1
1 759 . 30 1 1 X 68 68 ALA H H 61 7.891 8.185 -0.294 1
1 760 . 30 1 1 X 68 68 ALA HA H 61 4.141 4.160 -0.019 1
1 764 . 30 1 1 X 68 68 ALA C C 61 179.329 179.716 -0.387 1
1 765 . 30 1 1 X 68 68 ALA CA C 61 54.340 54.943 -0.603 1
1 766 . 30 1 1 X 68 68 ALA CB C 61 18.528 18.240 0.288 1
1 767 . 30 1 1 X 68 68 ALA N N 61 121.473 122.449 -0.976 1
1 768 . 30 1 1 X 69 69 ALA H H 62 7.663 8.193 -0.530 1
1 769 . 30 1 1 X 69 69 ALA HA H 62 4.133 4.036 0.097 1
1 773 . 30 1 1 X 69 69 ALA C C 62 178.591 179.313 -0.722 1
1 774 . 30 1 1 X 69 69 ALA CA C 62 53.863 55.020 -1.157 1
1 775 . 30 1 1 X 69 69 ALA CB C 62 18.438 18.460 -0.022 1
1 776 . 30 1 1 X 69 69 ALA N N 62 118.937 120.740 -1.803 1
1 777 . 30 1 1 X 70 70 ALA H H 63 7.488 7.877 -0.389 1
1 778 . 30 1 1 X 70 70 ALA HA H 63 4.280 4.074 0.206 1
1 782 . 30 1 1 X 70 70 ALA C C 63 177.318 177.673 -0.355 1
1 783 . 30 1 1 X 70 70 ALA CA C 63 52.981 54.670 -1.689 1
1 784 . 30 1 1 X 70 70 ALA CB C 63 19.324 19.236 0.088 1
1 785 . 30 1 1 X 70 70 ALA N N 63 118.642 118.403 0.239 1
1 786 . 30 1 1 X 71 71 ASN H H 64 7.631 8.466 -0.835 1
1 787 . 30 1 1 X 71 71 ASN HA H 64 5.077 4.521 0.556 1
1 792 . 30 1 1 X 71 71 ASN CA C 64 50.877 53.909 -3.032 1
1 793 . 30 1 1 X 71 71 ASN CB C 64 39.243 36.939 2.304 1
1 795 . 30 1 1 X 71 71 ASN N N 64 116.008 115.507 0.501 1
1 797 . 30 1 1 X 72 72 PRO HA H 65 4.468 4.592 -0.124 1
1 804 . 30 1 1 X 72 72 PRO CA C 65 64.454 63.813 0.641 1
1 805 . 30 1 1 X 72 72 PRO CB C 65 32.007 32.789 -0.782 1
1 808 . 30 1 1 X 73 73 GLY H H 66 8.608 7.287 1.321 1
1 809 . 30 1 1 X 73 73 GLY HA2 H 66 3.978 4.124 -0.146 1
1 810 . 30 1 1 X 73 73 GLY HA3 H 66 3.978 4.126 -0.148 1
1 811 . 30 1 1 X 73 73 GLY C C 66 175.054 174.552 0.502 1
1 812 . 30 1 1 X 73 73 GLY CA C 66 45.521 44.400 1.121 1
1 813 . 30 1 1 X 73 73 GLY N N 66 109.435 107.804 1.631 1
1 814 . 30 1 1 X 74 74 GLY H H 67 8.085 8.841 -0.756 1
1 815 . 30 1 1 X 74 74 GLY HA2 H 67 4.132 3.960 0.172 1
1 816 . 30 1 1 X 74 74 GLY HA3 H 67 3.896 3.963 -0.067 1
1 817 . 30 1 1 X 74 74 GLY C C 67 174.008 174.049 -0.041 1
1 818 . 30 1 1 X 74 74 GLY CA C 67 45.450 45.606 -0.156 1
1 819 . 30 1 1 X 74 74 GLY N N 67 108.472 110.479 -2.007 1
1 820 . 30 1 1 X 75 75 ASP H H 68 8.307 7.583 0.724 1
1 821 . 30 1 1 X 75 75 ASP HA H 68 4.646 4.593 0.053 1
1 824 . 30 1 1 X 75 75 ASP C C 68 176.933 177.138 -0.205 1
1 825 . 30 1 1 X 75 75 ASP CA C 68 54.226 55.855 -1.629 1
1 826 . 30 1 1 X 75 75 ASP CB C 68 41.486 39.914 1.572 1
1 827 . 30 1 1 X 75 75 ASP N N 68 119.941 119.701 0.240 1
1 828 . 30 1 1 X 76 76 GLY H H 69 8.502 8.678 -0.176 1
1 829 . 30 1 1 X 76 76 GLY HA2 H 69 3.966 3.958 0.008 1
1 830 . 30 1 1 X 76 76 GLY HA3 H 69 3.951 3.959 -0.008 1
1 831 . 30 1 1 X 76 76 GLY C C 69 174.771 174.861 -0.090 1
1 832 . 30 1 1 X 76 76 GLY CA C 69 45.744 45.304 0.440 1
1 833 . 30 1 1 X 76 76 GLY N N 69 109.061 112.401 -3.340 1
1 834 . 30 1 1 X 77 77 GLY H H 70 8.367 8.032 0.335 1
1 835 . 30 1 1 X 77 77 GLY HA2 H 70 4.092 3.957 0.135 1
1 836 . 30 1 1 X 77 77 GLY HA3 H 70 3.920 3.961 -0.041 1
1 837 . 30 1 1 X 77 77 GLY C C 70 174.782 174.166 0.616 1
1 838 . 30 1 1 X 77 77 GLY CA C 70 45.327 46.809 -1.482 1
1 839 . 30 1 1 X 77 77 GLY N N 70 108.393 107.617 0.776 1
1 840 . 30 1 1 X 78 78 GLY H H 71 8.263 7.844 0.419 1
1 841 . 30 1 1 X 78 78 GLY HA2 H 71 4.205 4.131 0.074 1
1 842 . 30 1 1 X 78 78 GLY HA3 H 71 4.092 4.142 -0.050 1
1 843 . 30 1 1 X 78 78 GLY CA C 71 45.581 44.414 1.167 1
1 844 . 30 1 1 X 78 78 GLY N N 71 108.388 112.417 -4.029 1
1 845 . 30 1 1 X 79 79 PRO HA H 72 4.199 4.251 -0.052 1
1 852 . 30 1 1 X 79 79 PRO C C 72 178.000 177.867 0.133 1
1 853 . 30 1 1 X 79 79 PRO CA C 72 65.568 65.059 0.509 1
1 854 . 30 1 1 X 79 79 PRO CB C 72 32.864 31.989 0.875 1
1 857 . 30 1 1 X 80 80 GLU H H 73 9.283 8.502 0.781 1
1 858 . 30 1 1 X 80 80 GLU HA H 73 3.833 4.187 -0.354 1
1 863 . 30 1 1 X 80 80 GLU C C 73 179.587 177.972 1.615 1
1 864 . 30 1 1 X 80 80 GLU CA C 73 61.125 58.545 2.580 1
1 865 . 30 1 1 X 80 80 GLU CB C 73 28.576 29.214 -0.638 1
1 867 . 30 1 1 X 80 80 GLU N N 73 117.078 116.658 0.420 1
1 868 . 30 1 1 X 81 81 GLY H H 74 7.926 7.840 0.086 1
1 869 . 30 1 1 X 81 81 GLY HA2 H 74 3.964 4.034 -0.070 1
1 870 . 30 1 1 X 81 81 GLY HA3 H 74 3.914 4.050 -0.136 1
1 871 . 30 1 1 X 81 81 GLY C C 74 176.538 175.561 0.977 1
1 872 . 30 1 1 X 81 81 GLY CA C 74 47.084 45.702 1.382 1
1 873 . 30 1 1 X 81 81 GLY N N 74 108.577 108.435 0.142 1
1 874 . 30 1 1 X 82 82 ILE H H 75 7.593 7.603 -0.010 1
1 875 . 30 1 1 X 82 82 ILE HA H 75 3.873 3.945 -0.072 1
1 885 . 30 1 1 X 82 82 ILE C C 75 178.147 178.285 -0.138 1
1 886 . 30 1 1 X 82 82 ILE CA C 75 65.342 64.924 0.418 1
1 887 . 30 1 1 X 82 82 ILE CB C 75 38.163 37.670 0.493 1
1 891 . 30 1 1 X 82 82 ILE N N 75 123.572 122.262 1.310 1
1 892 . 30 1 1 X 83 83 VAL H H 76 8.135 7.859 0.276 1
1 893 . 30 1 1 X 83 83 VAL HA H 76 3.575 4.225 -0.650 1
1 901 . 30 1 1 X 83 83 VAL C C 76 177.094 178.013 -0.919 1
1 902 . 30 1 1 X 83 83 VAL CA C 76 68.153 65.717 2.436 1
1 903 . 30 1 1 X 83 83 VAL CB C 76 31.653 31.334 0.319 1
1 906 . 30 1 1 X 83 83 VAL N N 76 118.553 121.068 -2.515 1
1 907 . 30 1 1 X 84 84 LYS H H 77 7.803 8.180 -0.377 1
1 908 . 30 1 1 X 84 84 LYS HA H 77 4.006 4.121 -0.115 1
1 917 . 30 1 1 X 84 84 LYS C C 77 178.064 178.812 -0.748 1
1 918 . 30 1 1 X 84 84 LYS CA C 77 60.516 59.562 0.954 1
1 919 . 30 1 1 X 84 84 LYS CB C 77 32.849 32.430 0.419 1
1 923 . 30 1 1 X 84 84 LYS N N 77 119.572 121.183 -1.611 1
1 924 . 30 1 1 X 85 85 GLU H H 78 7.629 8.161 -0.532 1
1 925 . 30 1 1 X 85 85 GLU HA H 78 4.246 4.109 0.137 1
1 930 . 30 1 1 X 85 85 GLU C C 78 179.834 179.521 0.313 1
1 931 . 30 1 1 X 85 85 GLU CA C 78 59.752 59.257 0.495 1
1 932 . 30 1 1 X 85 85 GLU CB C 78 29.189 29.610 -0.421 1
1 934 . 30 1 1 X 85 85 GLU N N 78 118.366 118.558 -0.192 1
1 935 . 30 1 1 X 86 86 ILE H H 79 8.432 8.594 -0.162 1
1 936 . 30 1 1 X 86 86 ILE HA H 79 3.781 3.601 0.180 1
1 946 . 30 1 1 X 86 86 ILE C C 79 177.578 178.424 -0.846 1
1 947 . 30 1 1 X 86 86 ILE CA C 79 65.454 65.661 -0.207 1
1 948 . 30 1 1 X 86 86 ILE CB C 79 37.940 37.574 0.366 1
1 952 . 30 1 1 X 86 86 ILE N N 79 118.975 121.010 -2.035 1
1 953 . 30 1 1 X 87 87 LYS H H 80 9.096 8.472 0.624 1
1 954 . 30 1 1 X 87 87 LYS HA H 80 3.958 3.935 0.023 1
1 963 . 30 1 1 X 87 87 LYS C C 80 180.285 178.817 1.468 1
1 964 . 30 1 1 X 87 87 LYS CA C 80 60.290 59.006 1.284 1
1 965 . 30 1 1 X 87 87 LYS CB C 80 33.299 32.293 1.006 1
1 969 . 30 1 1 X 87 87 LYS N N 80 119.805 121.777 -1.972 1
1 970 . 30 1 1 X 88 88 GLU H H 81 8.508 8.382 0.126 1
1 971 . 30 1 1 X 88 88 GLU HA H 81 4.099 4.078 0.021 1
1 976 . 30 1 1 X 88 88 GLU C C 81 179.195 178.997 0.198 1
1 977 . 30 1 1 X 88 88 GLU CA C 81 59.632 59.199 0.433 1
1 978 . 30 1 1 X 88 88 GLU CB C 81 29.649 29.314 0.335 1
1 980 . 30 1 1 X 88 88 GLU N N 81 118.920 119.235 -0.315 1
1 981 . 30 1 1 X 89 89 TRP H H 82 8.682 8.403 0.279 1
1 982 . 30 1 1 X 89 89 TRP HA H 82 4.201 4.310 -0.109 1
1 991 . 30 1 1 X 89 89 TRP C C 82 179.807 178.745 1.062 1
1 992 . 30 1 1 X 89 89 TRP CA C 82 63.110 61.175 1.935 1
1 993 . 30 1 1 X 89 89 TRP CB C 82 29.285 29.352 -0.067 1
1 999 . 30 1 1 X 89 89 TRP N N 82 122.152 122.305 -0.153 1
1 1001 . 30 1 1 X 90 90 ARG H H 83 9.025 8.282 0.743 1
1 1002 . 30 1 1 X 90 90 ARG HA H 83 3.295 3.835 -0.540 1
1 1009 . 30 1 1 X 90 90 ARG C C 83 178.120 178.951 -0.831 1
1 1010 . 30 1 1 X 90 90 ARG CA C 83 60.895 59.792 1.103 1
1 1011 . 30 1 1 X 90 90 ARG CB C 83 28.668 30.066 -1.398 1
1 1014 . 30 1 1 X 90 90 ARG N N 83 118.380 119.125 -0.745 1
1 1015 . 30 1 1 X 91 91 ALA H H 84 7.759 8.056 -0.297 1
1 1016 . 30 1 1 X 91 91 ALA HA H 84 4.151 4.080 0.071 1
1 1020 . 30 1 1 X 91 91 ALA C C 84 181.466 180.048 1.418 1
1 1021 . 30 1 1 X 91 91 ALA CA C 84 55.217 54.975 0.242 1
1 1022 . 30 1 1 X 91 91 ALA CB C 84 18.175 17.870 0.305 1
1 1023 . 30 1 1 X 91 91 ALA N N 84 120.210 122.037 -1.827 1
1 1024 . 30 1 1 X 92 92 ALA H H 85 7.943 8.020 -0.077 1
1 1025 . 30 1 1 X 92 92 ALA HA H 85 4.081 4.030 0.051 1
1 1029 . 30 1 1 X 92 92 ALA C C 85 178.324 179.339 -1.015 1
1 1030 . 30 1 1 X 92 92 ALA CA C 85 54.244 55.096 -0.852 1
1 1031 . 30 1 1 X 92 92 ALA CB C 85 18.306 17.849 0.457 1
1 1032 . 30 1 1 X 92 92 ALA N N 85 120.470 120.559 -0.089 1
1 1033 . 30 1 1 X 93 93 ASN H H 86 7.005 7.567 -0.562 1
1 1034 . 30 1 1 X 93 93 ASN HA H 86 4.475 4.483 -0.008 1
1 1039 . 30 1 1 X 93 93 ASN C C 86 174.108 175.349 -1.241 1
1 1040 . 30 1 1 X 93 93 ASN CA C 86 53.347 53.896 -0.549 1
1 1041 . 30 1 1 X 93 93 ASN CB C 86 39.379 38.910 0.469 1
1 1043 . 30 1 1 X 93 93 ASN N N 86 113.372 113.859 -0.487 1
1 1045 . 30 1 1 X 94 94 GLY H H 87 7.535 8.446 -0.911 1
1 1046 . 30 1 1 X 94 94 GLY HA2 H 87 3.810 3.967 -0.157 1
1 1047 . 30 1 1 X 94 94 GLY HA3 H 87 3.810 3.972 -0.162 1
1 1048 . 30 1 1 X 94 94 GLY C C 87 174.481 173.945 0.536 1
1 1049 . 30 1 1 X 94 94 GLY CA C 87 47.230 45.102 2.128 1
1 1050 . 30 1 1 X 94 94 GLY N N 87 108.152 106.992 1.160 1
1 1051 . 30 1 1 X 95 95 LYS H H 88 8.037 7.726 0.311 1
1 1052 . 30 1 1 X 95 95 LYS HA H 88 4.654 4.677 -0.023 1
1 1061 . 30 1 1 X 95 95 LYS CA C 88 53.357 53.153 0.204 1
1 1062 . 30 1 1 X 95 95 LYS CB C 88 32.741 32.442 0.299 1
1 1066 . 30 1 1 X 95 95 LYS N N 88 119.147 120.323 -1.176 1
1 1067 . 30 1 1 X 96 96 PRO HA H 89 4.275 4.453 -0.178 1
1 1074 . 30 1 1 X 96 96 PRO C C 89 176.696 176.617 0.079 1
1 1075 . 30 1 1 X 96 96 PRO CA C 89 63.482 62.991 0.491 1
1 1076 . 30 1 1 X 96 96 PRO CB C 89 32.981 31.687 1.294 1
1 1079 . 30 1 1 X 97 97 GLY H H 90 8.336 8.479 -0.143 1
1 1080 . 30 1 1 X 97 97 GLY HA2 H 90 4.074 3.669 0.405 1
1 1081 . 30 1 1 X 97 97 GLY HA3 H 90 3.615 3.760 -0.145 1
1 1082 . 30 1 1 X 97 97 GLY C C 90 173.388 173.423 -0.035 1
1 1083 . 30 1 1 X 97 97 GLY CA C 90 43.347 44.408 -1.061 1
1 1084 . 30 1 1 X 97 97 GLY N N 90 110.343 108.122 2.221 1
1 1085 . 30 1 1 X 98 98 PHE H H 91 7.749 8.057 -0.308 1
1 1086 . 30 1 1 X 98 98 PHE HA H 91 4.527 5.190 -0.663 1
1 1094 . 30 1 1 X 98 98 PHE C C 91 177.021 175.520 1.501 1
1 1095 . 30 1 1 X 98 98 PHE CA C 91 59.184 56.963 2.221 1
1 1096 . 30 1 1 X 98 98 PHE CB C 91 40.005 42.252 -2.247 1
1 1102 . 30 1 1 X 98 98 PHE N N 91 116.151 119.863 -3.712 1
1 1103 . 30 1 1 X 99 99 LYS H H 92 8.531 8.780 -0.249 1
1 1104 . 30 1 1 X 99 99 LYS HA H 92 4.178 4.606 -0.428 1
1 1113 . 30 1 1 X 99 99 LYS C C 92 176.542 176.295 0.247 1
1 1114 . 30 1 1 X 99 99 LYS CA C 92 57.292 55.787 1.505 1
1 1115 . 30 1 1 X 99 99 LYS CB C 92 32.875 33.634 -0.759 1
1 1119 . 30 1 1 X 99 99 LYS N N 92 123.602 119.864 3.738 1
1 1120 . 30 1 1 X 100 100 GLN H H 93 8.633 8.620 0.013 1
1 1121 . 30 1 1 X 100 100 GLN HA H 93 4.297 4.732 -0.435 1
1 1128 . 30 1 1 X 100 100 GLN C C 93 175.318 175.707 -0.389 1
1 1129 . 30 1 1 X 100 100 GLN CA C 93 56.479 55.321 1.158 1
1 1130 . 30 1 1 X 100 100 GLN CB C 93 29.751 30.064 -0.313 1
1 1133 . 30 1 1 X 100 100 GLN N N 93 125.089 121.008 4.081 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 85 0.891 1
2 1 1 1 "RMS(OBS, PRED)" CA 91 1.204 1
3 1 1 1 "RMS(OBS, PRED)" CB 82 0.917 1
4 1 1 1 "RMS(OBS, PRED)" H 87 0.577 1
5 1 1 1 "RMS(OBS, PRED)" HA 100 0.271 1
6 1 1 1 "RMS(OBS, PRED)" N 87 2.174 1
7 1 2 1 "RMS(OBS, PRED)" C 85 0.905 1
8 1 2 1 "RMS(OBS, PRED)" CA 91 1.147 1
9 1 2 1 "RMS(OBS, PRED)" CB 82 0.879 1
10 1 2 1 "RMS(OBS, PRED)" H 87 0.556 1
11 1 2 1 "RMS(OBS, PRED)" HA 100 0.259 1
12 1 2 1 "RMS(OBS, PRED)" N 87 2.157 1
13 1 3 1 "RMS(OBS, PRED)" C 85 0.921 1
14 1 3 1 "RMS(OBS, PRED)" CA 91 1.113 1
15 1 3 1 "RMS(OBS, PRED)" CB 82 0.883 1
16 1 3 1 "RMS(OBS, PRED)" H 87 0.589 1
17 1 3 1 "RMS(OBS, PRED)" HA 100 0.260 1
18 1 3 1 "RMS(OBS, PRED)" N 87 2.504 1
19 1 4 1 "RMS(OBS, PRED)" C 85 0.871 1
20 1 4 1 "RMS(OBS, PRED)" CA 91 1.133 1
21 1 4 1 "RMS(OBS, PRED)" CB 82 0.882 1
22 1 4 1 "RMS(OBS, PRED)" H 87 0.599 1
23 1 4 1 "RMS(OBS, PRED)" HA 100 0.254 1
24 1 4 1 "RMS(OBS, PRED)" N 87 2.565 1
25 1 5 1 "RMS(OBS, PRED)" C 85 0.875 1
26 1 5 1 "RMS(OBS, PRED)" CA 91 1.251 1
27 1 5 1 "RMS(OBS, PRED)" CB 82 0.893 1
28 1 5 1 "RMS(OBS, PRED)" H 87 0.593 1
29 1 5 1 "RMS(OBS, PRED)" HA 100 0.288 1
30 1 5 1 "RMS(OBS, PRED)" N 87 2.206 1
31 1 6 1 "RMS(OBS, PRED)" C 85 0.892 1
32 1 6 1 "RMS(OBS, PRED)" CA 91 1.154 1
33 1 6 1 "RMS(OBS, PRED)" CB 82 0.850 1
34 1 6 1 "RMS(OBS, PRED)" H 87 0.589 1
35 1 6 1 "RMS(OBS, PRED)" HA 100 0.275 1
36 1 6 1 "RMS(OBS, PRED)" N 87 2.567 1
37 1 7 1 "RMS(OBS, PRED)" C 85 0.905 1
38 1 7 1 "RMS(OBS, PRED)" CA 91 1.194 1
39 1 7 1 "RMS(OBS, PRED)" CB 82 0.980 1
40 1 7 1 "RMS(OBS, PRED)" H 87 0.549 1
41 1 7 1 "RMS(OBS, PRED)" HA 100 0.274 1
42 1 7 1 "RMS(OBS, PRED)" N 87 2.123 1
43 1 8 1 "RMS(OBS, PRED)" C 85 0.856 1
44 1 8 1 "RMS(OBS, PRED)" CA 91 1.181 1
45 1 8 1 "RMS(OBS, PRED)" CB 82 0.908 1
46 1 8 1 "RMS(OBS, PRED)" H 87 0.599 1
47 1 8 1 "RMS(OBS, PRED)" HA 100 0.261 1
48 1 8 1 "RMS(OBS, PRED)" N 87 2.349 1
49 1 9 1 "RMS(OBS, PRED)" C 85 0.930 1
50 1 9 1 "RMS(OBS, PRED)" CA 91 1.170 1
51 1 9 1 "RMS(OBS, PRED)" CB 82 0.940 1
52 1 9 1 "RMS(OBS, PRED)" H 87 0.575 1
53 1 9 1 "RMS(OBS, PRED)" HA 100 0.268 1
54 1 9 1 "RMS(OBS, PRED)" N 87 2.506 1
55 1 10 1 "RMS(OBS, PRED)" C 85 0.906 1
56 1 10 1 "RMS(OBS, PRED)" CA 91 1.184 1
57 1 10 1 "RMS(OBS, PRED)" CB 82 0.965 1
58 1 10 1 "RMS(OBS, PRED)" H 87 0.547 1
59 1 10 1 "RMS(OBS, PRED)" HA 100 0.282 1
60 1 10 1 "RMS(OBS, PRED)" N 87 2.331 1
61 1 11 1 "RMS(OBS, PRED)" C 85 0.930 1
62 1 11 1 "RMS(OBS, PRED)" CA 91 1.182 1
63 1 11 1 "RMS(OBS, PRED)" CB 82 0.893 1
64 1 11 1 "RMS(OBS, PRED)" H 87 0.591 1
65 1 11 1 "RMS(OBS, PRED)" HA 100 0.257 1
66 1 11 1 "RMS(OBS, PRED)" N 87 2.208 1
67 1 12 1 "RMS(OBS, PRED)" C 85 0.844 1
68 1 12 1 "RMS(OBS, PRED)" CA 91 1.250 1
69 1 12 1 "RMS(OBS, PRED)" CB 82 0.901 1
70 1 12 1 "RMS(OBS, PRED)" H 87 0.591 1
71 1 12 1 "RMS(OBS, PRED)" HA 100 0.304 1
72 1 12 1 "RMS(OBS, PRED)" N 87 2.305 1
73 1 13 1 "RMS(OBS, PRED)" C 85 0.872 1
74 1 13 1 "RMS(OBS, PRED)" CA 91 1.214 1
75 1 13 1 "RMS(OBS, PRED)" CB 82 0.958 1
76 1 13 1 "RMS(OBS, PRED)" H 87 0.588 1
77 1 13 1 "RMS(OBS, PRED)" HA 100 0.271 1
78 1 13 1 "RMS(OBS, PRED)" N 87 2.445 1
79 1 14 1 "RMS(OBS, PRED)" C 85 0.900 1
80 1 14 1 "RMS(OBS, PRED)" CA 91 1.101 1
81 1 14 1 "RMS(OBS, PRED)" CB 82 0.826 1
82 1 14 1 "RMS(OBS, PRED)" H 87 0.581 1
83 1 14 1 "RMS(OBS, PRED)" HA 100 0.246 1
84 1 14 1 "RMS(OBS, PRED)" N 87 2.207 1
85 1 15 1 "RMS(OBS, PRED)" C 85 0.906 1
86 1 15 1 "RMS(OBS, PRED)" CA 91 1.168 1
87 1 15 1 "RMS(OBS, PRED)" CB 82 0.894 1
88 1 15 1 "RMS(OBS, PRED)" H 87 0.580 1
89 1 15 1 "RMS(OBS, PRED)" HA 100 0.274 1
90 1 15 1 "RMS(OBS, PRED)" N 87 2.306 1
91 1 16 1 "RMS(OBS, PRED)" C 85 0.895 1
92 1 16 1 "RMS(OBS, PRED)" CA 91 1.121 1
93 1 16 1 "RMS(OBS, PRED)" CB 82 0.927 1
94 1 16 1 "RMS(OBS, PRED)" H 87 0.580 1
95 1 16 1 "RMS(OBS, PRED)" HA 100 0.248 1
96 1 16 1 "RMS(OBS, PRED)" N 87 2.422 1
97 1 17 1 "RMS(OBS, PRED)" C 85 0.831 1
98 1 17 1 "RMS(OBS, PRED)" CA 91 1.149 1
99 1 17 1 "RMS(OBS, PRED)" CB 82 0.934 1
100 1 17 1 "RMS(OBS, PRED)" H 87 0.532 1
101 1 17 1 "RMS(OBS, PRED)" HA 100 0.244 1
102 1 17 1 "RMS(OBS, PRED)" N 87 2.138 1
103 1 18 1 "RMS(OBS, PRED)" C 85 0.854 1
104 1 18 1 "RMS(OBS, PRED)" CA 91 1.183 1
105 1 18 1 "RMS(OBS, PRED)" CB 82 0.902 1
106 1 18 1 "RMS(OBS, PRED)" H 87 0.532 1
107 1 18 1 "RMS(OBS, PRED)" HA 100 0.236 1
108 1 18 1 "RMS(OBS, PRED)" N 87 2.097 1
109 1 19 1 "RMS(OBS, PRED)" C 85 0.851 1
110 1 19 1 "RMS(OBS, PRED)" CA 91 1.179 1
111 1 19 1 "RMS(OBS, PRED)" CB 82 0.831 1
112 1 19 1 "RMS(OBS, PRED)" H 87 0.579 1
113 1 19 1 "RMS(OBS, PRED)" HA 100 0.255 1
114 1 19 1 "RMS(OBS, PRED)" N 87 2.245 1
115 1 20 1 "RMS(OBS, PRED)" C 85 0.887 1
116 1 20 1 "RMS(OBS, PRED)" CA 91 1.151 1
117 1 20 1 "RMS(OBS, PRED)" CB 82 0.816 1
118 1 20 1 "RMS(OBS, PRED)" H 87 0.579 1
119 1 20 1 "RMS(OBS, PRED)" HA 100 0.270 1
120 1 20 1 "RMS(OBS, PRED)" N 87 2.038 1
121 1 21 1 "RMS(OBS, PRED)" C 85 0.889 1
122 1 21 1 "RMS(OBS, PRED)" CA 91 1.240 1
123 1 21 1 "RMS(OBS, PRED)" CB 82 0.947 1
124 1 21 1 "RMS(OBS, PRED)" H 87 0.589 1
125 1 21 1 "RMS(OBS, PRED)" HA 100 0.276 1
126 1 21 1 "RMS(OBS, PRED)" N 87 2.305 1
127 1 22 1 "RMS(OBS, PRED)" C 85 0.884 1
128 1 22 1 "RMS(OBS, PRED)" CA 91 1.165 1
129 1 22 1 "RMS(OBS, PRED)" CB 82 0.878 1
130 1 22 1 "RMS(OBS, PRED)" H 87 0.585 1
131 1 22 1 "RMS(OBS, PRED)" HA 100 0.276 1
132 1 22 1 "RMS(OBS, PRED)" N 87 2.235 1
133 1 23 1 "RMS(OBS, PRED)" C 85 0.918 1
134 1 23 1 "RMS(OBS, PRED)" CA 91 1.211 1
135 1 23 1 "RMS(OBS, PRED)" CB 82 0.884 1
136 1 23 1 "RMS(OBS, PRED)" H 87 0.580 1
137 1 23 1 "RMS(OBS, PRED)" HA 100 0.274 1
138 1 23 1 "RMS(OBS, PRED)" N 87 2.178 1
139 1 24 1 "RMS(OBS, PRED)" C 85 0.888 1
140 1 24 1 "RMS(OBS, PRED)" CA 91 1.223 1
141 1 24 1 "RMS(OBS, PRED)" CB 82 0.899 1
142 1 24 1 "RMS(OBS, PRED)" H 87 0.617 1
143 1 24 1 "RMS(OBS, PRED)" HA 100 0.280 1
144 1 24 1 "RMS(OBS, PRED)" N 87 2.401 1
145 1 25 1 "RMS(OBS, PRED)" C 85 0.908 1
146 1 25 1 "RMS(OBS, PRED)" CA 91 1.257 1
147 1 25 1 "RMS(OBS, PRED)" CB 82 0.908 1
148 1 25 1 "RMS(OBS, PRED)" H 87 0.606 1
149 1 25 1 "RMS(OBS, PRED)" HA 100 0.282 1
150 1 25 1 "RMS(OBS, PRED)" N 87 2.538 1
151 1 26 1 "RMS(OBS, PRED)" C 85 0.925 1
152 1 26 1 "RMS(OBS, PRED)" CA 91 1.182 1
153 1 26 1 "RMS(OBS, PRED)" CB 82 0.937 1
154 1 26 1 "RMS(OBS, PRED)" H 87 0.621 1
155 1 26 1 "RMS(OBS, PRED)" HA 100 0.278 1
156 1 26 1 "RMS(OBS, PRED)" N 87 2.311 1
157 1 27 1 "RMS(OBS, PRED)" C 85 0.916 1
158 1 27 1 "RMS(OBS, PRED)" CA 91 1.193 1
159 1 27 1 "RMS(OBS, PRED)" CB 82 0.909 1
160 1 27 1 "RMS(OBS, PRED)" H 87 0.567 1
161 1 27 1 "RMS(OBS, PRED)" HA 100 0.266 1
162 1 27 1 "RMS(OBS, PRED)" N 87 2.367 1
163 1 28 1 "RMS(OBS, PRED)" C 85 0.940 1
164 1 28 1 "RMS(OBS, PRED)" CA 91 1.208 1
165 1 28 1 "RMS(OBS, PRED)" CB 82 0.906 1
166 1 28 1 "RMS(OBS, PRED)" H 87 0.588 1
167 1 28 1 "RMS(OBS, PRED)" HA 100 0.280 1
168 1 28 1 "RMS(OBS, PRED)" N 87 2.192 1
169 1 29 1 "RMS(OBS, PRED)" C 85 0.919 1
170 1 29 1 "RMS(OBS, PRED)" CA 91 1.154 1
171 1 29 1 "RMS(OBS, PRED)" CB 82 0.882 1
172 1 29 1 "RMS(OBS, PRED)" H 87 0.568 1
173 1 29 1 "RMS(OBS, PRED)" HA 100 0.267 1
174 1 29 1 "RMS(OBS, PRED)" N 87 2.155 1
175 1 30 1 "RMS(OBS, PRED)" C 85 0.870 1
176 1 30 1 "RMS(OBS, PRED)" CA 91 1.158 1
177 1 30 1 "RMS(OBS, PRED)" CB 82 0.928 1
178 1 30 1 "RMS(OBS, PRED)" H 87 0.608 1
179 1 30 1 "RMS(OBS, PRED)" HA 100 0.248 1
180 1 30 1 "RMS(OBS, PRED)" N 87 2.314 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 12 . 1 1 X 10 10 LEU H H 3 8.121 8.616 -0.495 2
1 13 . 1 1 X 10 10 LEU HA H 3 4.240 5.324 -1.084 2
1 23 . 1 1 X 10 10 LEU C C 3 176.909 176.263 0.646 2
1 24 . 1 1 X 10 10 LEU CA C 3 54.748 53.607 1.141 2
1 25 . 1 1 X 10 10 LEU CB C 3 41.272 43.409 -2.137 2
1 29 . 1 1 X 10 10 LEU N N 3 123.688 123.591 0.097 2
1 30 . 1 1 X 11 11 LYS H H 4 7.677 8.848 -1.171 2
1 31 . 1 1 X 11 11 LYS HA H 4 4.404 4.613 -0.209 2
1 40 . 1 1 X 11 11 LYS C C 4 176.184 177.147 -0.963 2
1 41 . 1 1 X 11 11 LYS CA C 4 55.828 54.529 1.299 2
1 42 . 1 1 X 11 11 LYS CB C 4 33.482 34.209 -0.727 2
1 46 . 1 1 X 11 11 LYS N N 4 122.221 122.595 -0.374 2
1 47 . 1 1 X 12 12 ASN H H 5 8.538 8.777 -0.238 2
1 48 . 1 1 X 12 12 ASN HA H 5 4.685 4.983 -0.298 2
1 53 . 1 1 X 12 12 ASN C C 5 174.925 175.189 -0.264 2
1 54 . 1 1 X 12 12 ASN CA C 5 55.721 54.233 1.488 2
1 55 . 1 1 X 12 12 ASN CB C 5 40.409 40.481 -0.072 2
1 57 . 1 1 X 12 12 ASN N N 5 116.610 118.739 -2.129 2
1 59 . 1 1 X 13 13 SER H H 6 8.144 7.725 0.419 2
1 60 . 1 1 X 13 13 SER HA H 6 4.819 4.817 0.002 2
1 63 . 1 1 X 13 13 SER C C 6 175.123 175.024 0.099 2
1 64 . 1 1 X 13 13 SER CA C 6 56.778 55.831 0.947 2
1 65 . 1 1 X 13 13 SER CB C 6 65.949 66.791 -0.842 2
1 66 . 1 1 X 13 13 SER N N 6 112.138 110.384 1.754 2
1 67 . 1 1 X 14 14 ILE H H 7 9.318 8.829 0.489 2
1 68 . 1 1 X 14 14 ILE HA H 7 3.966 4.244 -0.278 2
1 78 . 1 1 X 14 14 ILE C C 7 175.537 177.951 -2.414 2
1 79 . 1 1 X 14 14 ILE CA C 7 64.956 63.923 1.033 2
1 80 . 1 1 X 14 14 ILE CB C 7 37.062 37.902 -0.840 2
1 84 . 1 1 X 14 14 ILE N N 7 126.034 124.986 1.048 2
1 85 . 1 1 X 15 15 SER H H 8 7.504 8.136 -0.632 2
1 86 . 1 1 X 15 15 SER HA H 8 4.694 4.435 0.259 2
1 89 . 1 1 X 15 15 SER C C 8 174.278 174.909 -0.631 2
1 90 . 1 1 X 15 15 SER CA C 8 59.481 60.570 -1.089 2
1 91 . 1 1 X 15 15 SER CB C 8 63.241 63.263 -0.022 2
1 92 . 1 1 X 15 15 SER N N 8 112.517 117.366 -4.849 2
1 93 . 1 1 X 16 16 ASP H H 9 7.783 7.734 0.049 2
1 94 . 1 1 X 16 16 ASP HA H 9 4.791 4.742 0.049 2
1 97 . 1 1 X 16 16 ASP C C 9 175.976 175.912 0.064 2
1 98 . 1 1 X 16 16 ASP CA C 9 55.243 53.625 1.618 2
1 99 . 1 1 X 16 16 ASP CB C 9 43.327 41.132 2.195 2
1 100 . 1 1 X 16 16 ASP N N 9 117.795 120.020 -2.225 2
1 101 . 1 1 X 17 17 TYR H H 10 8.279 7.776 0.503 2
1 102 . 1 1 X 17 17 TYR HA H 10 4.962 5.001 -0.039 2
1 109 . 1 1 X 17 17 TYR C C 10 177.535 176.176 1.359 2
1 110 . 1 1 X 17 17 TYR CA C 10 58.573 57.539 1.034 2
1 111 . 1 1 X 17 17 TYR CB C 10 41.015 39.826 1.189 2
1 116 . 1 1 X 17 17 TYR N N 10 120.484 118.801 1.683 2
1 117 . 1 1 X 18 18 THR H H 11 8.796 8.866 -0.070 2
1 118 . 1 1 X 18 18 THR HA H 11 5.040 5.120 -0.080 2
1 123 . 1 1 X 18 18 THR C C 11 176.099 176.030 0.069 2
1 124 . 1 1 X 18 18 THR CA C 11 60.775 60.683 0.092 2
1 125 . 1 1 X 18 18 THR CB C 11 71.041 71.101 -0.060 2
1 127 . 1 1 X 18 18 THR N N 11 112.143 116.863 -4.720 2
1 128 . 1 1 X 19 19 GLU H H 12 9.173 8.994 0.179 2
1 129 . 1 1 X 19 19 GLU HA H 12 2.757 3.485 -0.728 2
1 134 . 1 1 X 19 19 GLU C C 12 178.378 178.582 -0.204 2
1 135 . 1 1 X 19 19 GLU CA C 12 60.906 59.068 1.838 2
1 136 . 1 1 X 19 19 GLU CB C 12 29.442 28.968 0.474 2
1 138 . 1 1 X 19 19 GLU N N 12 122.386 120.991 1.395 2
1 139 . 1 1 X 20 20 ALA H H 13 8.356 8.187 0.169 2
1 140 . 1 1 X 20 20 ALA HA H 13 4.069 4.141 -0.072 2
1 144 . 1 1 X 20 20 ALA C C 13 181.816 179.608 2.208 2
1 145 . 1 1 X 20 20 ALA CA C 13 55.388 54.966 0.422 2
1 146 . 1 1 X 20 20 ALA CB C 13 18.308 18.459 -0.151 2
1 147 . 1 1 X 20 20 ALA N N 13 118.695 122.171 -3.476 2
1 148 . 1 1 X 21 21 GLU H H 14 8.013 8.151 -0.138 2
1 149 . 1 1 X 21 21 GLU HA H 14 4.131 4.129 0.002 2
1 154 . 1 1 X 21 21 GLU C C 14 179.649 179.277 0.372 2
1 155 . 1 1 X 21 21 GLU CA C 14 58.916 59.064 -0.148 2
1 156 . 1 1 X 21 21 GLU CB C 14 31.632 29.618 2.014 2
1 158 . 1 1 X 21 21 GLU N N 14 118.978 119.344 -0.366 2
1 159 . 1 1 X 22 22 PHE H H 15 8.635 8.324 0.311 2
1 160 . 1 1 X 22 22 PHE HA H 15 4.049 4.121 -0.072 2
1 167 . 1 1 X 22 22 PHE C C 15 177.402 177.548 -0.146 2
1 168 . 1 1 X 22 22 PHE CA C 15 62.183 61.203 0.980 2
1 169 . 1 1 X 22 22 PHE CB C 15 40.545 38.868 1.677 2
1 174 . 1 1 X 22 22 PHE N N 15 124.639 121.927 2.712 2
1 175 . 1 1 X 23 23 VAL H H 16 8.647 8.428 0.219 2
1 176 . 1 1 X 23 23 VAL HA H 16 3.416 3.739 -0.323 2
1 184 . 1 1 X 23 23 VAL C C 16 177.798 177.744 0.054 2
1 185 . 1 1 X 23 23 VAL CA C 16 67.917 66.312 1.605 2
1 186 . 1 1 X 23 23 VAL CB C 16 31.579 31.174 0.405 2
1 189 . 1 1 X 23 23 VAL N N 16 119.817 118.670 1.147 2
1 190 . 1 1 X 24 24 GLN H H 17 7.569 8.225 -0.656 2
1 191 . 1 1 X 24 24 GLN HA H 17 3.943 3.977 -0.034 2
1 198 . 1 1 X 24 24 GLN C C 17 178.313 178.113 0.200 2
1 199 . 1 1 X 24 24 GLN CA C 17 59.289 59.077 0.212 2
1 200 . 1 1 X 24 24 GLN CB C 17 27.814 28.079 -0.265 2
1 203 . 1 1 X 24 24 GLN N N 17 117.658 121.057 -3.399 2
1 205 . 1 1 X 25 25 LEU H H 18 7.512 7.704 -0.192 2
1 206 . 1 1 X 25 25 LEU HA H 18 4.136 4.014 0.122 2
1 216 . 1 1 X 25 25 LEU C C 18 178.440 178.123 0.317 2
1 217 . 1 1 X 25 25 LEU CA C 18 58.651 58.058 0.593 2
1 218 . 1 1 X 25 25 LEU CB C 18 40.626 41.286 -0.660 2
1 222 . 1 1 X 25 25 LEU N N 18 122.037 120.987 1.050 2
1 223 . 1 1 X 26 26 LEU H H 19 7.761 8.236 -0.475 2
1 224 . 1 1 X 26 26 LEU HA H 19 3.748 3.608 0.140 2
1 234 . 1 1 X 26 26 LEU C C 19 180.080 179.107 0.973 2
1 235 . 1 1 X 26 26 LEU CA C 19 58.041 57.634 0.407 2
1 236 . 1 1 X 26 26 LEU CB C 19 41.009 41.172 -0.163 2
1 240 . 1 1 X 26 26 LEU N N 19 118.502 118.255 0.247 2
1 241 . 1 1 X 27 27 LYS H H 20 8.357 8.250 0.107 2
1 242 . 1 1 X 27 27 LYS HA H 20 4.019 3.960 0.059 2
1 251 . 1 1 X 27 27 LYS C C 20 179.559 179.587 -0.028 2
1 252 . 1 1 X 27 27 LYS CA C 20 59.648 59.996 -0.348 2
1 253 . 1 1 X 27 27 LYS CB C 20 31.995 31.986 0.009 2
1 257 . 1 1 X 27 27 LYS N N 20 120.427 118.232 2.195 2
1 258 . 1 1 X 28 28 GLU H H 21 8.123 7.774 0.349 2
1 259 . 1 1 X 28 28 GLU HA H 21 4.082 4.022 0.060 2
1 264 . 1 1 X 28 28 GLU C C 21 179.063 179.360 -0.297 2
1 265 . 1 1 X 28 28 GLU CA C 21 59.406 59.137 0.269 2
1 266 . 1 1 X 28 28 GLU CB C 21 29.146 29.332 -0.186 2
1 268 . 1 1 X 28 28 GLU N N 21 122.374 119.828 2.546 2
1 269 . 1 1 X 29 29 ILE H H 22 8.049 8.182 -0.133 2
1 270 . 1 1 X 29 29 ILE HA H 22 3.343 3.573 -0.230 2
1 280 . 1 1 X 29 29 ILE C C 22 177.151 177.748 -0.597 2
1 281 . 1 1 X 29 29 ILE CA C 22 66.435 65.400 1.035 2
1 282 . 1 1 X 29 29 ILE CB C 22 37.954 37.415 0.539 2
1 286 . 1 1 X 29 29 ILE N N 22 120.195 121.215 -1.020 2
1 287 . 1 1 X 30 30 GLU H H 23 7.820 8.152 -0.332 2
1 288 . 1 1 X 30 30 GLU HA H 23 3.983 3.783 0.200 2
1 293 . 1 1 X 30 30 GLU C C 23 178.990 179.044 -0.055 2
1 294 . 1 1 X 30 30 GLU CA C 23 59.460 59.794 -0.334 2
1 295 . 1 1 X 30 30 GLU CB C 23 30.012 29.298 0.714 2
1 297 . 1 1 X 30 30 GLU N N 23 118.917 119.533 -0.616 2
1 298 . 1 1 X 31 31 LYS H H 24 7.678 7.765 -0.087 2
1 299 . 1 1 X 31 31 LYS HA H 24 4.059 3.944 0.115 2
1 308 . 1 1 X 31 31 LYS C C 24 179.231 179.083 0.148 2
1 309 . 1 1 X 31 31 LYS CA C 24 59.152 59.718 -0.566 2
1 310 . 1 1 X 31 31 LYS CB C 24 32.712 32.300 0.412 2
1 314 . 1 1 X 31 31 LYS N N 24 118.807 119.968 -1.161 2
1 315 . 1 1 X 32 32 GLU H H 25 8.182 8.102 0.080 2
1 316 . 1 1 X 32 32 GLU HA H 25 4.309 4.094 0.215 2
1 321 . 1 1 X 32 32 GLU C C 25 177.897 178.969 -1.072 2
1 322 . 1 1 X 32 32 GLU CA C 25 57.449 58.938 -1.489 2
1 323 . 1 1 X 32 32 GLU CB C 25 29.522 29.180 0.342 2
1 325 . 1 1 X 32 32 GLU N N 25 118.578 118.592 -0.014 2
1 326 . 1 1 X 33 33 ASN H H 26 8.343 8.139 0.204 2
1 327 . 1 1 X 33 33 ASN HA H 26 4.608 4.431 0.177 2
1 330 . 1 1 X 33 33 ASN C C 26 176.524 177.383 -0.859 2
1 331 . 1 1 X 33 33 ASN CA C 26 55.463 56.170 -0.707 2
1 332 . 1 1 X 33 33 ASN CB C 26 39.074 38.790 0.284 2
1 333 . 1 1 X 33 33 ASN N N 26 118.483 118.666 -0.183 2
1 334 . 1 1 X 34 34 VAL H H 27 7.434 7.962 -0.528 2
1 335 . 1 1 X 34 34 VAL HA H 27 4.182 3.940 0.242 2
1 343 . 1 1 X 34 34 VAL C C 27 176.315 177.311 -0.996 2
1 344 . 1 1 X 34 34 VAL CA C 27 62.829 63.927 -1.098 2
1 345 . 1 1 X 34 34 VAL CB C 27 32.178 31.387 0.791 2
1 348 . 1 1 X 34 34 VAL N N 27 114.036 116.423 -2.387 2
1 349 . 1 1 X 35 35 ALA H H 28 7.648 7.585 0.063 2
1 350 . 1 1 X 35 35 ALA HA H 28 4.346 4.284 0.062 2
1 354 . 1 1 X 35 35 ALA C C 28 177.126 176.815 0.311 2
1 355 . 1 1 X 35 35 ALA CA C 28 52.712 52.330 0.382 2
1 356 . 1 1 X 35 35 ALA CB C 28 19.915 19.404 0.511 2
1 357 . 1 1 X 35 35 ALA N N 28 124.066 123.466 0.600 2
1 358 . 1 1 X 36 36 ALA H H 29 8.337 7.902 0.435 2
1 359 . 1 1 X 36 36 ALA HA H 29 4.260 3.983 0.277 2
1 363 . 1 1 X 36 36 ALA C C 29 177.999 176.685 1.314 2
1 364 . 1 1 X 36 36 ALA CA C 29 53.660 52.845 0.815 2
1 365 . 1 1 X 36 36 ALA CB C 29 19.175 17.402 1.773 2
1 366 . 1 1 X 36 36 ALA N N 29 121.695 119.844 1.851 2
1 367 . 1 1 X 37 37 THR H H 30 8.093 7.877 0.216 2
1 368 . 1 1 X 37 37 THR HA H 30 4.533 4.638 -0.105 2
1 373 . 1 1 X 37 37 THR C C 30 174.715 174.357 0.358 2
1 374 . 1 1 X 37 37 THR CA C 30 60.860 61.133 -0.273 2
1 375 . 1 1 X 37 37 THR CB C 30 70.424 70.293 0.132 2
1 377 . 1 1 X 37 37 THR N N 30 110.112 108.949 1.163 2
1 378 . 1 1 X 38 38 ASP H H 31 8.488 8.477 0.011 2
1 379 . 1 1 X 38 38 ASP HA H 31 4.685 4.697 -0.012 2
1 382 . 1 1 X 38 38 ASP C C 31 175.896 176.965 -1.069 2
1 383 . 1 1 X 38 38 ASP CA C 31 54.704 55.349 -0.645 2
1 384 . 1 1 X 38 38 ASP CB C 31 41.389 41.732 -0.343 2
1 385 . 1 1 X 38 38 ASP N N 31 121.899 119.969 1.930 2
1 386 . 1 1 X 39 39 ASP H H 32 8.368 8.468 -0.100 2
1 387 . 1 1 X 39 39 ASP HA H 32 4.459 4.391 0.068 2
1 390 . 1 1 X 39 39 ASP C C 32 177.499 178.290 -0.791 2
1 391 . 1 1 X 39 39 ASP CA C 32 56.443 57.246 -0.803 2
1 392 . 1 1 X 39 39 ASP CB C 32 40.737 41.010 -0.273 2
1 393 . 1 1 X 39 39 ASP N N 32 118.770 120.059 -1.289 2
1 394 . 1 1 X 40 40 VAL H H 33 7.963 7.914 0.049 2
1 395 . 1 1 X 40 40 VAL HA H 33 3.800 3.845 -0.045 2
1 403 . 1 1 X 40 40 VAL C C 33 177.362 177.535 -0.173 2
1 404 . 1 1 X 40 40 VAL CA C 33 64.970 65.219 -0.249 2
1 405 . 1 1 X 40 40 VAL CB C 33 32.256 31.554 0.702 2
1 408 . 1 1 X 40 40 VAL N N 33 119.409 118.591 0.818 2
1 409 . 1 1 X 41 41 LEU H H 34 8.508 7.906 0.602 2
1 410 . 1 1 X 41 41 LEU HA H 34 3.857 3.977 -0.120 2
1 420 . 1 1 X 41 41 LEU C C 34 177.633 178.100 -0.467 2
1 421 . 1 1 X 41 41 LEU CA C 34 58.428 58.556 -0.128 2
1 422 . 1 1 X 41 41 LEU CB C 34 41.755 41.297 0.458 2
1 426 . 1 1 X 41 41 LEU N N 34 122.150 122.143 0.007 2
1 427 . 1 1 X 42 42 ASP H H 35 8.236 8.468 -0.232 2
1 428 . 1 1 X 42 42 ASP HA H 35 4.370 4.414 -0.044 2
1 431 . 1 1 X 42 42 ASP C C 35 179.155 178.765 0.390 2
1 432 . 1 1 X 42 42 ASP CA C 35 57.925 57.325 0.600 2
1 433 . 1 1 X 42 42 ASP CB C 35 40.417 40.962 -0.545 2
1 434 . 1 1 X 42 42 ASP N N 35 116.374 118.756 -2.382 2
1 435 . 1 1 X 43 43 VAL H H 36 7.320 7.797 -0.477 2
1 436 . 1 1 X 43 43 VAL HA H 36 3.782 3.622 0.160 2
1 444 . 1 1 X 43 43 VAL C C 36 179.309 178.278 1.031 2
1 445 . 1 1 X 43 43 VAL CA C 36 66.080 66.660 -0.580 2
1 446 . 1 1 X 43 43 VAL CB C 36 32.245 31.633 0.613 2
1 449 . 1 1 X 43 43 VAL N N 36 119.754 120.208 -0.454 2
1 450 . 1 1 X 44 44 LEU H H 37 8.122 8.476 -0.354 2
1 451 . 1 1 X 44 44 LEU HA H 37 4.008 4.045 -0.037 2
1 461 . 1 1 X 44 44 LEU C C 37 179.518 179.325 0.193 2
1 462 . 1 1 X 44 44 LEU CA C 37 58.048 57.848 0.200 2
1 463 . 1 1 X 44 44 LEU CB C 37 42.374 41.659 0.715 2
1 467 . 1 1 X 44 44 LEU N N 37 120.608 118.918 1.690 2
1 468 . 1 1 X 45 45 LEU H H 38 8.898 8.390 0.508 2
1 469 . 1 1 X 45 45 LEU HA H 38 4.030 3.938 0.092 2
1 479 . 1 1 X 45 45 LEU C C 38 179.166 179.494 -0.328 2
1 480 . 1 1 X 45 45 LEU CA C 38 58.184 58.233 -0.049 2
1 481 . 1 1 X 45 45 LEU CB C 38 41.506 41.545 -0.039 2
1 485 . 1 1 X 45 45 LEU N N 38 119.199 118.818 0.381 2
1 486 . 1 1 X 46 46 GLU H H 39 7.964 8.327 -0.363 2
1 487 . 1 1 X 46 46 GLU HA H 39 4.066 4.074 -0.008 2
1 492 . 1 1 X 46 46 GLU C C 39 178.995 178.940 0.055 2
1 493 . 1 1 X 46 46 GLU CA C 39 59.769 59.515 0.254 2
1 494 . 1 1 X 46 46 GLU CB C 39 29.577 29.253 0.324 2
1 496 . 1 1 X 46 46 GLU N N 39 119.334 118.248 1.086 2
1 497 . 1 1 X 47 47 HIS H H 40 8.009 8.638 -0.629 2
1 498 . 1 1 X 47 47 HIS HA H 40 4.416 4.384 0.032 2
1 503 . 1 1 X 47 47 HIS C C 40 176.115 176.987 -0.872 2
1 504 . 1 1 X 47 47 HIS CA C 40 60.151 58.880 1.271 2
1 505 . 1 1 X 47 47 HIS CB C 40 30.389 30.497 -0.108 2
1 508 . 1 1 X 47 47 HIS N N 40 119.610 120.141 -0.531 2
1 509 . 1 1 X 48 48 PHE H H 41 8.711 8.535 0.176 2
1 510 . 1 1 X 48 48 PHE HA H 41 3.808 4.151 -0.343 2
1 518 . 1 1 X 48 48 PHE C C 41 178.023 177.299 0.724 2
1 519 . 1 1 X 48 48 PHE CA C 41 62.654 61.371 1.283 2
1 520 . 1 1 X 48 48 PHE CB C 41 39.408 39.265 0.143 2
1 526 . 1 1 X 48 48 PHE N N 41 118.110 120.218 -2.107 2
1 527 . 1 1 X 49 49 VAL H H 42 8.439 8.138 0.301 2
1 528 . 1 1 X 49 49 VAL HA H 42 3.359 3.712 -0.353 2
1 536 . 1 1 X 49 49 VAL C C 42 178.340 177.528 0.812 2
1 537 . 1 1 X 49 49 VAL CA C 42 67.276 64.413 2.863 2
1 538 . 1 1 X 49 49 VAL CB C 42 32.235 31.374 0.861 2
1 541 . 1 1 X 49 49 VAL N N 42 121.301 118.631 2.670 2
1 542 . 1 1 X 50 50 LYS H H 43 8.091 8.560 -0.469 2
1 543 . 1 1 X 50 50 LYS HA H 43 3.973 4.071 -0.098 2
1 552 . 1 1 X 50 50 LYS C C 43 178.985 178.272 0.713 2
1 553 . 1 1 X 50 50 LYS CA C 43 59.580 58.932 0.648 2
1 554 . 1 1 X 50 50 LYS CB C 43 32.784 31.796 0.988 2
1 558 . 1 1 X 50 50 LYS N N 43 120.887 119.874 1.013 2
1 559 . 1 1 X 51 51 ILE H H 44 8.347 7.396 0.951 2
1 560 . 1 1 X 51 51 ILE HA H 44 4.159 3.859 0.300 2
1 570 . 1 1 X 51 51 ILE C C 44 178.121 177.907 0.214 2
1 571 . 1 1 X 51 51 ILE CA C 44 62.328 64.202 -1.874 2
1 572 . 1 1 X 51 51 ILE CB C 44 37.576 37.491 0.085 2
1 576 . 1 1 X 51 51 ILE N N 44 111.354 116.916 -5.562 2
1 577 . 1 1 X 52 52 THR H H 45 7.588 7.624 -0.036 2
1 578 . 1 1 X 52 52 THR HA H 45 3.683 4.096 -0.413 2
1 583 . 1 1 X 52 52 THR C C 45 176.285 174.942 1.343 2
1 584 . 1 1 X 52 52 THR CA C 45 65.803 63.856 1.947 2
1 585 . 1 1 X 52 52 THR CB C 45 69.689 69.650 0.039 2
1 587 . 1 1 X 52 52 THR N N 45 109.646 113.731 -4.085 2
1 588 . 1 1 X 53 53 GLU H H 46 7.366 7.982 -0.616 2
1 589 . 1 1 X 53 53 GLU HA H 46 3.836 4.074 -0.238 2
1 594 . 1 1 X 53 53 GLU C C 46 173.418 174.718 -1.300 2
1 595 . 1 1 X 53 53 GLU CA C 46 57.709 57.449 0.260 2
1 596 . 1 1 X 53 53 GLU CB C 46 29.067 27.367 1.700 2
1 598 . 1 1 X 53 53 GLU N N 46 112.606 115.792 -3.186 2
1 599 . 1 1 X 54 54 HIS H H 47 7.127 7.305 -0.178 2
1 600 . 1 1 X 54 54 HIS HA H 47 3.070 3.422 -0.352 2
1 605 . 1 1 X 54 54 HIS CA C 47 55.826 54.624 1.202 2
1 606 . 1 1 X 54 54 HIS CB C 47 32.124 30.963 1.161 2
1 609 . 1 1 X 54 54 HIS N N 47 119.651 119.544 0.107 2
1 610 . 1 1 X 55 55 PRO HA H 48 4.143 4.347 -0.204 2
1 617 . 1 1 X 55 55 PRO CA C 48 64.843 64.228 0.615 2
1 618 . 1 1 X 55 55 PRO CB C 48 32.350 31.606 0.744 2
1 621 . 1 1 X 56 56 ASP H H 49 10.605 7.650 2.955 2
1 622 . 1 1 X 56 56 ASP HA H 49 4.712 5.040 -0.328 2
1 625 . 1 1 X 56 56 ASP C C 49 178.187 177.320 0.867 2
1 626 . 1 1 X 56 56 ASP CA C 49 54.989 53.758 1.231 2
1 627 . 1 1 X 56 56 ASP CB C 49 40.657 42.000 -1.343 2
1 628 . 1 1 X 56 56 ASP N N 49 121.022 118.054 2.968 2
1 629 . 1 1 X 57 57 GLY H H 50 8.011 8.149 -0.138 2
1 630 . 1 1 X 57 57 GLY HA2 H 50 4.122 3.898 0.224 2
1 631 . 1 1 X 57 57 GLY HA3 H 50 3.701 3.964 -0.263 2
1 632 . 1 1 X 57 57 GLY C C 50 175.337 175.993 -0.656 2
1 633 . 1 1 X 57 57 GLY CA C 50 47.435 47.504 -0.069 2
1 634 . 1 1 X 57 57 GLY N N 50 108.190 109.269 -1.079 2
1 635 . 1 1 X 58 58 THR H H 51 9.047 8.241 0.806 2
1 636 . 1 1 X 58 58 THR HA H 51 3.730 4.224 -0.494 2
1 641 . 1 1 X 58 58 THR C C 51 176.082 176.544 -0.462 2
1 642 . 1 1 X 58 58 THR CA C 51 64.795 65.211 -0.416 2
1 643 . 1 1 X 58 58 THR CB C 51 68.398 68.790 -0.392 2
1 645 . 1 1 X 58 58 THR N N 51 114.996 116.848 -1.852 2
1 646 . 1 1 X 59 59 ALA H H 52 8.142 8.173 -0.031 2
1 647 . 1 1 X 59 59 ALA HA H 52 4.205 4.212 -0.007 2
1 651 . 1 1 X 59 59 ALA C C 52 179.373 180.118 -0.745 2
1 652 . 1 1 X 59 59 ALA CA C 52 55.625 55.178 0.447 2
1 653 . 1 1 X 59 59 ALA CB C 52 18.416 18.229 0.187 2
1 654 . 1 1 X 59 59 ALA N N 52 125.565 123.953 1.612 2
1 655 . 1 1 X 60 60 LEU H H 53 7.399 8.329 -0.930 2
1 656 . 1 1 X 60 60 LEU HA H 53 3.835 3.952 -0.117 2
1 666 . 1 1 X 60 60 LEU C C 53 178.601 179.147 -0.546 2
1 667 . 1 1 X 60 60 LEU CA C 53 58.031 58.104 -0.073 2
1 668 . 1 1 X 60 60 LEU CB C 53 43.487 41.899 1.588 2
1 672 . 1 1 X 60 60 LEU N N 53 114.763 118.324 -3.561 2
1 673 . 1 1 X 61 61 ILE H H 54 6.855 7.635 -0.780 2
1 674 . 1 1 X 61 61 ILE HA H 54 3.518 3.409 0.109 2
1 684 . 1 1 X 61 61 ILE C C 54 178.595 177.704 0.890 2
1 685 . 1 1 X 61 61 ILE CA C 54 62.989 65.000 -2.011 2
1 686 . 1 1 X 61 61 ILE CB C 54 38.424 37.376 1.048 2
1 690 . 1 1 X 61 61 ILE N N 54 114.394 119.750 -5.356 2
1 691 . 1 1 X 62 62 TYR H H 55 7.489 8.031 -0.543 2
1 692 . 1 1 X 62 62 TYR HA H 55 4.243 4.282 -0.039 2
1 699 . 1 1 X 62 62 TYR C C 55 178.634 178.805 -0.171 2
1 700 . 1 1 X 62 62 TYR CA C 55 61.518 60.583 0.935 2
1 701 . 1 1 X 62 62 TYR CB C 55 37.566 37.908 -0.342 2
1 706 . 1 1 X 62 62 TYR N N 55 117.898 119.327 -1.429 2
1 707 . 1 1 X 63 63 GLU H H 56 8.659 8.964 -0.305 2
1 708 . 1 1 X 63 63 GLU HA H 56 4.441 4.115 0.326 2
1 713 . 1 1 X 63 63 GLU C C 56 177.785 178.869 -1.084 2
1 714 . 1 1 X 63 63 GLU CA C 56 57.658 59.400 -1.742 2
1 715 . 1 1 X 63 63 GLU CB C 56 29.034 29.174 -0.140 2
1 717 . 1 1 X 63 63 GLU N N 56 119.392 117.878 1.514 2
1 718 . 1 1 X 64 64 ALA H H 57 7.164 8.230 -1.066 2
1 719 . 1 1 X 64 64 ALA HA H 57 4.021 4.143 -0.122 2
1 723 . 1 1 X 64 64 ALA C C 57 180.327 179.985 0.342 2
1 724 . 1 1 X 64 64 ALA CA C 57 55.759 54.960 0.799 2
1 725 . 1 1 X 64 64 ALA CB C 57 18.615 18.066 0.549 2
1 726 . 1 1 X 64 64 ALA N N 57 121.778 122.385 -0.607 2
1 727 . 1 1 X 65 65 ALA H H 58 8.076 8.156 -0.080 2
1 728 . 1 1 X 65 65 ALA HA H 58 4.137 3.983 0.154 2
1 732 . 1 1 X 65 65 ALA C C 58 180.248 179.495 0.753 2
1 733 . 1 1 X 65 65 ALA CA C 58 55.104 54.994 0.110 2
1 734 . 1 1 X 65 65 ALA CB C 58 18.071 18.274 -0.203 2
1 735 . 1 1 X 65 65 ALA N N 58 120.307 119.828 0.479 2
1 736 . 1 1 X 66 66 ALA H H 59 7.893 7.683 0.210 2
1 737 . 1 1 X 66 66 ALA HA H 59 4.170 4.056 0.114 2
1 741 . 1 1 X 66 66 ALA C C 59 180.838 179.567 1.271 2
1 742 . 1 1 X 66 66 ALA CA C 59 54.800 55.101 -0.301 2
1 743 . 1 1 X 66 66 ALA CB C 59 18.184 17.985 0.199 2
1 744 . 1 1 X 66 66 ALA N N 59 122.126 119.978 2.147 2
1 745 . 1 1 X 67 67 ARG H H 60 8.139 8.713 -0.574 2
1 746 . 1 1 X 67 67 ARG HA H 60 4.065 3.981 0.084 2
1 753 . 1 1 X 67 67 ARG C C 60 178.779 178.481 0.298 2
1 754 . 1 1 X 67 67 ARG CA C 60 59.282 59.662 -0.380 2
1 755 . 1 1 X 67 67 ARG CB C 60 30.863 29.928 0.935 2
1 758 . 1 1 X 67 67 ARG N N 60 118.948 117.996 0.952 2
1 759 . 1 1 X 68 68 ALA H H 61 7.891 8.265 -0.374 2
1 760 . 1 1 X 68 68 ALA HA H 61 4.141 4.144 -0.003 2
1 764 . 1 1 X 68 68 ALA C C 61 179.329 179.703 -0.374 2
1 765 . 1 1 X 68 68 ALA CA C 61 54.340 54.777 -0.437 2
1 766 . 1 1 X 68 68 ALA CB C 61 18.528 18.337 0.191 2
1 767 . 1 1 X 68 68 ALA N N 61 121.473 122.204 -0.731 2
1 768 . 1 1 X 69 69 ALA H H 62 7.663 7.979 -0.316 2
1 769 . 1 1 X 69 69 ALA HA H 62 4.133 4.090 0.043 2
1 773 . 1 1 X 69 69 ALA C C 62 178.591 178.650 -0.059 2
1 774 . 1 1 X 69 69 ALA CA C 62 53.863 54.959 -1.096 2
1 775 . 1 1 X 69 69 ALA CB C 62 18.438 18.660 -0.222 2
1 776 . 1 1 X 69 69 ALA N N 62 118.937 119.795 -0.858 2
1 777 . 1 1 X 70 70 ALA H H 63 7.488 7.791 -0.303 2
1 778 . 1 1 X 70 70 ALA HA H 63 4.280 4.360 -0.080 2
1 782 . 1 1 X 70 70 ALA C C 63 177.318 176.783 0.535 2
1 783 . 1 1 X 70 70 ALA CA C 63 52.981 52.349 0.632 2
1 784 . 1 1 X 70 70 ALA CB C 63 19.324 19.255 0.069 2
1 785 . 1 1 X 70 70 ALA N N 63 118.642 118.352 0.290 2
1 786 . 1 1 X 71 71 ASN H H 64 7.631 8.435 -0.804 2
1 787 . 1 1 X 71 71 ASN HA H 64 5.077 4.922 0.155 2
1 792 . 1 1 X 71 71 ASN CA C 64 50.877 52.417 -1.540 2
1 793 . 1 1 X 71 71 ASN CB C 64 39.243 37.999 1.244 2
1 795 . 1 1 X 71 71 ASN N N 64 116.008 118.539 -2.531 2
1 797 . 1 1 X 72 72 PRO HA H 65 4.468 4.505 -0.037 2
1 804 . 1 1 X 72 72 PRO CA C 65 64.454 63.990 0.464 2
1 805 . 1 1 X 72 72 PRO CB C 65 32.007 31.992 0.015 2
1 808 . 1 1 X 73 73 GLY H H 66 8.608 7.895 0.713 2
1 809 . 1 1 X 73 73 GLY HA2 H 66 3.978 4.045 -0.067 2
1 810 . 1 1 X 73 73 GLY HA3 H 66 3.978 4.046 -0.069 2
1 811 . 1 1 X 73 73 GLY C C 66 175.054 174.092 0.962 2
1 812 . 1 1 X 73 73 GLY CA C 66 45.521 45.297 0.224 2
1 813 . 1 1 X 73 73 GLY N N 66 109.435 107.417 2.018 2
1 814 . 1 1 X 74 74 GLY H H 67 8.085 8.421 -0.336 2
1 815 . 1 1 X 74 74 GLY HA2 H 67 4.132 4.032 0.100 2
1 816 . 1 1 X 74 74 GLY HA3 H 67 3.896 4.033 -0.137 2
1 817 . 1 1 X 74 74 GLY C C 67 174.008 173.692 0.316 2
1 818 . 1 1 X 74 74 GLY CA C 67 45.450 45.956 -0.506 2
1 819 . 1 1 X 74 74 GLY N N 67 108.472 108.720 -0.248 2
1 820 . 1 1 X 75 75 ASP H H 68 8.307 8.408 -0.101 2
1 821 . 1 1 X 75 75 ASP HA H 68 4.646 4.760 -0.114 2
1 824 . 1 1 X 75 75 ASP C C 68 176.933 176.605 0.328 2
1 825 . 1 1 X 75 75 ASP CA C 68 54.226 54.446 -0.220 2
1 826 . 1 1 X 75 75 ASP CB C 68 41.486 42.006 -0.520 2
1 827 . 1 1 X 75 75 ASP N N 68 119.941 121.612 -1.671 2
1 828 . 1 1 X 76 76 GLY H H 69 8.502 8.350 0.152 2
1 829 . 1 1 X 76 76 GLY HA2 H 69 3.966 4.013 -0.047 2
1 830 . 1 1 X 76 76 GLY HA3 H 69 3.951 4.016 -0.065 2
1 831 . 1 1 X 76 76 GLY C C 69 174.771 174.598 0.173 2
1 832 . 1 1 X 76 76 GLY CA C 69 45.744 45.657 0.087 2
1 833 . 1 1 X 76 76 GLY N N 69 109.061 109.326 -0.265 2
1 834 . 1 1 X 77 77 GLY H H 70 8.367 8.257 0.110 2
1 835 . 1 1 X 77 77 GLY HA2 H 70 4.092 4.001 0.091 2
1 836 . 1 1 X 77 77 GLY HA3 H 70 3.920 4.004 -0.084 2
1 837 . 1 1 X 77 77 GLY C C 70 174.782 174.053 0.729 2
1 838 . 1 1 X 77 77 GLY CA C 70 45.327 46.047 -0.720 2
1 839 . 1 1 X 77 77 GLY N N 70 108.393 109.114 -0.721 2
1 840 . 1 1 X 78 78 GLY H H 71 8.263 8.090 0.173 2
1 841 . 1 1 X 78 78 GLY HA2 H 71 4.205 4.103 0.102 2
1 842 . 1 1 X 78 78 GLY HA3 H 71 4.092 4.113 -0.021 2
1 843 . 1 1 X 78 78 GLY CA C 71 45.581 44.822 0.759 2
1 844 . 1 1 X 78 78 GLY N N 71 108.388 109.980 -1.592 2
1 845 . 1 1 X 79 79 PRO HA H 72 4.199 4.268 -0.069 2
1 852 . 1 1 X 79 79 PRO C C 72 178.000 177.818 0.182 2
1 853 . 1 1 X 79 79 PRO CA C 72 65.568 65.043 0.525 2
1 854 . 1 1 X 79 79 PRO CB C 72 32.864 31.775 1.089 2
1 857 . 1 1 X 80 80 GLU H H 73 9.283 8.487 0.796 2
1 858 . 1 1 X 80 80 GLU HA H 73 3.833 4.206 -0.373 2
1 863 . 1 1 X 80 80 GLU C C 73 179.587 177.837 1.750 2
1 864 . 1 1 X 80 80 GLU CA C 73 61.125 57.899 3.226 2
1 865 . 1 1 X 80 80 GLU CB C 73 28.576 29.295 -0.719 2
1 867 . 1 1 X 80 80 GLU N N 73 117.078 116.721 0.357 2
1 868 . 1 1 X 81 81 GLY H H 74 7.926 7.923 0.003 2
1 869 . 1 1 X 81 81 GLY HA2 H 74 3.964 3.948 0.016 2
1 870 . 1 1 X 81 81 GLY HA3 H 74 3.914 3.961 -0.047 2
1 871 . 1 1 X 81 81 GLY C C 74 176.538 175.872 0.666 2
1 872 . 1 1 X 81 81 GLY CA C 74 47.084 45.993 1.091 2
1 873 . 1 1 X 81 81 GLY N N 74 108.577 108.378 0.199 2
1 874 . 1 1 X 82 82 ILE H H 75 7.593 7.948 -0.355 2
1 875 . 1 1 X 82 82 ILE HA H 75 3.873 3.884 -0.011 2
1 885 . 1 1 X 82 82 ILE C C 75 178.147 178.138 0.009 2
1 886 . 1 1 X 82 82 ILE CA C 75 65.342 64.758 0.584 2
1 887 . 1 1 X 82 82 ILE CB C 75 38.163 37.437 0.726 2
1 891 . 1 1 X 82 82 ILE N N 75 123.572 120.976 2.596 2
1 892 . 1 1 X 83 83 VAL H H 76 8.135 7.761 0.374 2
1 893 . 1 1 X 83 83 VAL HA H 76 3.575 4.142 -0.567 2
1 901 . 1 1 X 83 83 VAL C C 76 177.094 178.093 -0.999 2
1 902 . 1 1 X 83 83 VAL CA C 76 68.153 65.773 2.380 2
1 903 . 1 1 X 83 83 VAL CB C 76 31.653 31.412 0.241 2
1 906 . 1 1 X 83 83 VAL N N 76 118.553 120.055 -1.502 2
1 907 . 1 1 X 84 84 LYS H H 77 7.803 8.121 -0.318 2
1 908 . 1 1 X 84 84 LYS HA H 77 4.006 4.074 -0.068 2
1 917 . 1 1 X 84 84 LYS C C 77 178.064 178.634 -0.570 2
1 918 . 1 1 X 84 84 LYS CA C 77 60.516 59.421 1.095 2
1 919 . 1 1 X 84 84 LYS CB C 77 32.849 32.323 0.526 2
1 923 . 1 1 X 84 84 LYS N N 77 119.572 121.253 -1.681 2
1 924 . 1 1 X 85 85 GLU H H 78 7.629 7.907 -0.278 2
1 925 . 1 1 X 85 85 GLU HA H 78 4.246 4.155 0.091 2
1 930 . 1 1 X 85 85 GLU C C 78 179.834 179.456 0.378 2
1 931 . 1 1 X 85 85 GLU CA C 78 59.752 59.179 0.573 2
1 932 . 1 1 X 85 85 GLU CB C 78 29.189 29.526 -0.337 2
1 934 . 1 1 X 85 85 GLU N N 78 118.366 118.682 -0.316 2
1 935 . 1 1 X 86 86 ILE H H 79 8.432 8.272 0.160 2
1 936 . 1 1 X 86 86 ILE HA H 79 3.781 3.675 0.106 2
1 946 . 1 1 X 86 86 ILE C C 79 177.578 178.209 -0.631 2
1 947 . 1 1 X 86 86 ILE CA C 79 65.454 65.071 0.383 2
1 948 . 1 1 X 86 86 ILE CB C 79 37.940 37.827 0.113 2
1 952 . 1 1 X 86 86 ILE N N 79 118.975 120.645 -1.670 2
1 953 . 1 1 X 87 87 LYS H H 80 9.096 8.640 0.456 2
1 954 . 1 1 X 87 87 LYS HA H 80 3.958 3.899 0.059 2
1 963 . 1 1 X 87 87 LYS C C 80 180.285 178.564 1.721 2
1 964 . 1 1 X 87 87 LYS CA C 80 60.290 59.096 1.194 2
1 965 . 1 1 X 87 87 LYS CB C 80 33.299 32.117 1.182 2
1 969 . 1 1 X 87 87 LYS N N 80 119.805 120.562 -0.757 2
1 970 . 1 1 X 88 88 GLU H H 81 8.508 8.004 0.504 2
1 971 . 1 1 X 88 88 GLU HA H 81 4.099 4.095 0.004 2
1 976 . 1 1 X 88 88 GLU C C 81 179.195 178.929 0.266 2
1 977 . 1 1 X 88 88 GLU CA C 81 59.632 59.134 0.498 2
1 978 . 1 1 X 88 88 GLU CB C 81 29.649 29.445 0.204 2
1 980 . 1 1 X 88 88 GLU N N 81 118.920 119.310 -0.390 2
1 981 . 1 1 X 89 89 TRP H H 82 8.682 8.111 0.571 2
1 982 . 1 1 X 89 89 TRP HA H 82 4.201 4.297 -0.096 2
1 991 . 1 1 X 89 89 TRP C C 82 179.807 178.111 1.696 2
1 992 . 1 1 X 89 89 TRP CA C 82 63.110 60.858 2.252 2
1 993 . 1 1 X 89 89 TRP CB C 82 29.285 29.706 -0.421 2
1 999 . 1 1 X 89 89 TRP N N 82 122.152 122.265 -0.113 2
1 1001 . 1 1 X 90 90 ARG H H 83 9.025 8.561 0.464 2
1 1002 . 1 1 X 90 90 ARG HA H 83 3.295 3.922 -0.627 2
1 1009 . 1 1 X 90 90 ARG C C 83 178.120 178.191 -0.071 2
1 1010 . 1 1 X 90 90 ARG CA C 83 60.895 59.744 1.151 2
1 1011 . 1 1 X 90 90 ARG CB C 83 28.668 29.756 -1.088 2
1 1014 . 1 1 X 90 90 ARG N N 83 118.380 119.441 -1.061 2
1 1015 . 1 1 X 91 91 ALA H H 84 7.759 8.057 -0.298 2
1 1016 . 1 1 X 91 91 ALA HA H 84 4.151 4.089 0.062 2
1 1020 . 1 1 X 91 91 ALA C C 84 181.466 179.952 1.514 2
1 1021 . 1 1 X 91 91 ALA CA C 84 55.217 54.911 0.306 2
1 1022 . 1 1 X 91 91 ALA CB C 84 18.175 18.040 0.135 2
1 1023 . 1 1 X 91 91 ALA N N 84 120.210 120.948 -0.738 2
1 1024 . 1 1 X 92 92 ALA H H 85 7.943 7.978 -0.035 2
1 1025 . 1 1 X 92 92 ALA HA H 85 4.081 4.001 0.080 2
1 1029 . 1 1 X 92 92 ALA C C 85 178.324 179.442 -1.118 2
1 1030 . 1 1 X 92 92 ALA CA C 85 54.244 55.034 -0.790 2
1 1031 . 1 1 X 92 92 ALA CB C 85 18.306 18.046 0.260 2
1 1032 . 1 1 X 92 92 ALA N N 85 120.470 120.380 0.090 2
1 1033 . 1 1 X 93 93 ASN H H 86 7.005 7.756 -0.751 2
1 1034 . 1 1 X 93 93 ASN HA H 86 4.475 4.461 0.014 2
1 1039 . 1 1 X 93 93 ASN C C 86 174.108 175.369 -1.261 2
1 1040 . 1 1 X 93 93 ASN CA C 86 53.347 53.410 -0.063 2
1 1041 . 1 1 X 93 93 ASN CB C 86 39.379 38.547 0.832 2
1 1043 . 1 1 X 93 93 ASN N N 86 113.372 114.042 -0.670 2
1 1045 . 1 1 X 94 94 GLY H H 87 7.535 8.043 -0.508 2
1 1046 . 1 1 X 94 94 GLY HA2 H 87 3.810 3.910 -0.100 2
1 1047 . 1 1 X 94 94 GLY HA3 H 87 3.810 3.916 -0.106 2
1 1048 . 1 1 X 94 94 GLY C C 87 174.481 174.033 0.448 2
1 1049 . 1 1 X 94 94 GLY CA C 87 47.230 45.616 1.614 2
1 1050 . 1 1 X 94 94 GLY N N 87 108.152 107.221 0.931 2
1 1051 . 1 1 X 95 95 LYS H H 88 8.037 8.077 -0.040 2
1 1052 . 1 1 X 95 95 LYS HA H 88 4.654 4.709 -0.055 2
1 1061 . 1 1 X 95 95 LYS CA C 88 53.357 53.024 0.333 2
1 1062 . 1 1 X 95 95 LYS CB C 88 32.741 33.362 -0.621 2
1 1066 . 1 1 X 95 95 LYS N N 88 119.147 120.065 -0.918 2
1 1067 . 1 1 X 96 96 PRO HA H 89 4.275 4.463 -0.188 2
1 1074 . 1 1 X 96 96 PRO C C 89 176.696 176.739 -0.043 2
1 1075 . 1 1 X 96 96 PRO CA C 89 63.482 63.124 0.358 2
1 1076 . 1 1 X 96 96 PRO CB C 89 32.981 32.064 0.917 2
1 1079 . 1 1 X 97 97 GLY H H 90 8.336 8.379 -0.043 2
1 1080 . 1 1 X 97 97 GLY HA2 H 90 4.074 3.762 0.312 2
1 1081 . 1 1 X 97 97 GLY HA3 H 90 3.615 3.844 -0.229 2
1 1082 . 1 1 X 97 97 GLY C C 90 173.388 173.421 -0.033 2
1 1083 . 1 1 X 97 97 GLY CA C 90 43.347 44.232 -0.885 2
1 1084 . 1 1 X 97 97 GLY N N 90 110.343 107.817 2.526 2
1 1085 . 1 1 X 98 98 PHE H H 91 7.749 8.065 -0.316 2
1 1086 . 1 1 X 98 98 PHE HA H 91 4.527 4.857 -0.330 2
1 1094 . 1 1 X 98 98 PHE C C 91 177.021 175.656 1.365 2
1 1095 . 1 1 X 98 98 PHE CA C 91 59.184 58.026 1.158 2
1 1096 . 1 1 X 98 98 PHE CB C 91 40.005 40.342 -0.337 2
1 1102 . 1 1 X 98 98 PHE N N 91 116.151 120.310 -4.159 2
1 1103 . 1 1 X 99 99 LYS H H 92 8.531 8.992 -0.461 2
1 1104 . 1 1 X 99 99 LYS HA H 92 4.178 4.646 -0.468 2
1 1113 . 1 1 X 99 99 LYS C C 92 176.542 176.140 0.402 2
1 1114 . 1 1 X 99 99 LYS CA C 92 57.292 55.627 1.665 2
1 1115 . 1 1 X 99 99 LYS CB C 92 32.875 33.853 -0.978 2
1 1119 . 1 1 X 99 99 LYS N N 92 123.602 120.212 3.390 2
1 1120 . 1 1 X 100 100 GLN H H 93 8.633 8.529 0.104 2
1 1121 . 1 1 X 100 100 GLN HA H 93 4.297 5.003 -0.706 2
1 1128 . 1 1 X 100 100 GLN C C 93 175.318 175.865 -0.547 2
1 1129 . 1 1 X 100 100 GLN CA C 93 56.479 54.736 1.743 2
1 1130 . 1 1 X 100 100 GLN CB C 93 29.751 30.701 -0.950 2
1 1133 . 1 1 X 100 100 GLN N N 93 125.089 120.129 4.960 2
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