data_15547_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15547
_Entry.PDB_ID 2JX5
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 10
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 16 . 1 1 1 A 2 2 LEU H H 2 9.099 8.334 0.765 1
1 17 . 1 1 1 A 2 2 LEU HA H 2 5.183 5.051 0.132 1
1 26 . 1 1 1 A 2 2 LEU C C 2 176.031 174.898 1.133 1
1 27 . 1 1 1 A 2 2 LEU CA C 2 53.682 53.981 -0.299 1
1 28 . 1 1 1 A 2 2 LEU CB C 2 43.994 44.271 -0.277 1
1 31 . 1 1 1 A 2 2 LEU N N 2 125.441 123.861 1.580 1
1 32 . 1 1 1 A 3 3 VAL H H 3 9.070 8.758 0.312 1
1 33 . 1 1 1 A 3 3 VAL HA H 3 4.720 4.695 0.025 1
1 41 . 1 1 1 A 3 3 VAL C C 3 173.653 174.642 -0.989 1
1 42 . 1 1 1 A 3 3 VAL CA C 3 59.935 61.261 -1.326 1
1 43 . 1 1 1 A 3 3 VAL CB C 3 34.312 35.106 -0.794 1
1 46 . 1 1 1 A 3 3 VAL N N 3 123.079 125.959 -2.880 1
1 47 . 1 1 1 A 4 4 ILE H H 4 8.552 9.321 -0.769 1
1 48 . 1 1 1 A 4 4 ILE HA H 4 4.530 4.776 -0.246 1
1 58 . 1 1 1 A 4 4 ILE C C 4 174.344 175.379 -1.035 1
1 59 . 1 1 1 A 4 4 ILE CA C 4 59.313 60.668 -1.355 1
1 60 . 1 1 1 A 4 4 ILE CB C 4 38.999 37.342 1.657 1
1 64 . 1 1 1 A 4 4 ILE N N 4 124.929 128.774 -3.845 1
1 65 . 1 1 1 A 5 5 VAL H H 5 8.911 8.463 0.448 1
1 66 . 1 1 1 A 5 5 VAL HA H 5 4.968 4.526 0.442 1
1 74 . 1 1 1 A 5 5 VAL C C 5 174.722 175.477 -0.755 1
1 75 . 1 1 1 A 5 5 VAL CA C 5 60.247 62.592 -2.345 1
1 76 . 1 1 1 A 5 5 VAL CB C 5 33.369 32.218 1.151 1
1 79 . 1 1 1 A 5 5 VAL N N 5 127.032 128.531 -1.499 1
1 80 . 1 1 1 A 6 6 ARG H H 6 9.417 8.854 0.563 1
1 81 . 1 1 1 A 6 6 ARG HA H 6 4.945 4.723 0.222 1
1 89 . 1 1 1 A 6 6 ARG C C 6 174.662 175.552 -0.890 1
1 90 . 1 1 1 A 6 6 ARG CA C 6 55.557 55.553 0.004 1
1 91 . 1 1 1 A 6 6 ARG CB C 6 30.557 31.176 -0.619 1
1 94 . 1 1 1 A 6 6 ARG N N 6 127.895 127.951 -0.056 1
1 96 . 1 1 1 A 7 7 LEU H H 7 8.368 8.804 -0.436 1
1 97 . 1 1 1 A 7 7 LEU HA H 7 4.761 4.401 0.360 1
1 107 . 1 1 1 A 7 7 LEU C C 7 175.869 177.923 -2.054 1
1 108 . 1 1 1 A 7 7 LEU CA C 7 53.682 54.120 -0.438 1
1 109 . 1 1 1 A 7 7 LEU CB C 7 43.994 42.030 1.964 1
1 112 . 1 1 1 A 7 7 LEU N N 7 127.357 126.247 1.110 1
1 113 . 1 1 1 A 8 8 GLN H H 8 9.244 8.743 0.501 1
1 114 . 1 1 1 A 8 8 GLN HA H 8 3.825 3.891 -0.066 1
1 119 . 1 1 1 A 8 8 GLN C C 8 175.478 176.560 -1.082 1
1 120 . 1 1 1 A 8 8 GLN CA C 8 58.372 59.706 -1.334 1
1 121 . 1 1 1 A 8 8 GLN CB C 8 27.125 28.804 -1.679 1
1 123 . 1 1 1 A 8 8 GLN N N 8 123.025 123.253 -0.228 1
1 124 . 1 1 1 A 9 9 ASP H H 9 8.622 8.189 0.433 1
1 125 . 1 1 1 A 9 9 ASP HA H 9 4.609 4.836 -0.227 1
1 128 . 1 1 1 A 9 9 ASP C C 9 175.352 174.124 1.228 1
1 129 . 1 1 1 A 9 9 ASP CA C 9 54.619 52.870 1.749 1
1 130 . 1 1 1 A 9 9 ASP CB C 9 40.576 41.712 -1.136 1
1 131 . 1 1 1 A 9 9 ASP N N 9 117.207 118.487 -1.280 1
1 132 . 1 1 1 A 10 10 GLN H H 10 7.972 7.561 0.411 1
1 133 . 1 1 1 A 10 10 GLN HA H 10 4.644 4.946 -0.302 1
1 138 . 1 1 1 A 10 10 GLN C C 10 174.812 174.627 0.185 1
1 139 . 1 1 1 A 10 10 GLN CA C 10 54.932 54.417 0.515 1
1 140 . 1 1 1 A 10 10 GLN CB C 10 31.807 33.684 -1.877 1
1 142 . 1 1 1 A 10 10 GLN N N 10 118.451 120.030 -1.579 1
1 143 . 1 1 1 A 11 11 THR H H 11 8.593 8.483 0.110 1
1 144 . 1 1 1 A 11 11 THR HA H 11 4.874 5.180 -0.306 1
1 149 . 1 1 1 A 11 11 THR C C 11 173.521 173.273 0.248 1
1 150 . 1 1 1 A 11 11 THR CA C 11 61.810 61.427 0.383 1
1 151 . 1 1 1 A 11 11 THR CB C 11 69.934 71.865 -1.931 1
1 153 . 1 1 1 A 11 11 THR N N 11 118.464 115.983 2.481 1
1 154 . 1 1 1 A 12 12 LEU H H 12 9.554 8.509 1.045 1
1 155 . 1 1 1 A 12 12 LEU HA H 12 4.872 4.714 0.158 1
1 164 . 1 1 1 A 12 12 LEU CA C 12 51.494 50.990 0.504 1
1 165 . 1 1 1 A 12 12 LEU CB C 12 44.932 45.639 -0.707 1
1 168 . 1 1 1 A 12 12 LEU N N 12 128.567 125.596 2.971 1
1 169 . 1 1 1 A 13 13 PRO HA H 13 5.141 4.854 0.287 1
1 176 . 1 1 1 A 13 13 PRO C C 13 176.800 175.355 1.445 1
1 177 . 1 1 1 A 13 13 PRO CA C 13 60.869 62.410 -1.541 1
1 178 . 1 1 1 A 13 13 PRO CB C 13 32.119 33.328 -1.209 1
1 181 . 1 1 1 A 14 14 PHE H H 14 9.302 8.638 0.664 1
1 182 . 1 1 1 A 14 14 PHE HA H 14 4.622 4.940 -0.318 1
1 189 . 1 1 1 A 14 14 PHE C C 14 173.677 174.301 -0.624 1
1 190 . 1 1 1 A 14 14 PHE CA C 14 57.747 56.097 1.650 1
1 191 . 1 1 1 A 14 14 PHE CB C 14 42.749 43.017 -0.268 1
1 192 . 1 1 1 A 14 14 PHE N N 14 121.778 119.320 2.458 1
1 193 . 1 1 1 A 15 15 GLU H H 15 8.516 9.037 -0.521 1
1 194 . 1 1 1 A 15 15 GLU HA H 15 5.260 4.795 0.465 1
1 199 . 1 1 1 A 15 15 GLU C C 15 175.821 175.554 0.267 1
1 200 . 1 1 1 A 15 15 GLU CA C 15 54.932 55.844 -0.912 1
1 201 . 1 1 1 A 15 15 GLU CB C 15 30.244 31.449 -1.205 1
1 203 . 1 1 1 A 15 15 GLU N N 15 123.002 123.709 -0.707 1
1 204 . 1 1 1 A 16 16 LEU H H 16 8.937 8.682 0.255 1
1 205 . 1 1 1 A 16 16 LEU HA H 16 4.952 4.832 0.120 1
1 215 . 1 1 1 A 16 16 LEU CA C 16 51.494 51.587 -0.093 1
1 216 . 1 1 1 A 16 16 LEU CB C 16 44.941 44.412 0.529 1
1 220 . 1 1 1 A 16 16 LEU N N 16 126.803 129.311 -2.508 1
1 221 . 1 1 1 A 17 17 PRO HA H 17 4.547 4.612 -0.065 1
1 228 . 1 1 1 A 17 17 PRO C C 17 175.472 176.292 -0.820 1
1 229 . 1 1 1 A 17 17 PRO CA C 17 62.119 62.296 -0.177 1
1 230 . 1 1 1 A 17 17 PRO CB C 17 32.119 32.631 -0.512 1
1 233 . 1 1 1 A 18 18 ALA H H 18 7.892 8.242 -0.350 1
1 234 . 1 1 1 A 18 18 ALA HA H 18 4.065 3.952 0.113 1
1 238 . 1 1 1 A 18 18 ALA C C 18 178.735 178.640 0.095 1
1 239 . 1 1 1 A 18 18 ALA CA C 18 53.060 53.737 -0.677 1
1 240 . 1 1 1 A 18 18 ALA CB C 18 18.063 18.605 -0.542 1
1 241 . 1 1 1 A 18 18 ALA N N 18 121.997 124.981 -2.984 1
1 242 . 1 1 1 A 19 19 GLY H H 19 8.519 8.883 -0.364 1
1 243 . 1 1 1 A 19 19 GLY HA2 H 19 3.754 3.844 -0.090 1
1 244 . 1 1 1 A 19 19 GLY HA3 H 19 4.066 3.846 0.220 1
1 245 . 1 1 1 A 19 19 GLY C C 19 174.376 174.777 -0.401 1
1 246 . 1 1 1 A 19 19 GLY CA C 19 44.625 46.658 -2.033 1
1 247 . 1 1 1 A 19 19 GLY N N 19 110.335 110.627 -0.292 1
1 248 . 1 1 1 A 20 20 ALA H H 20 7.459 7.654 -0.195 1
1 249 . 1 1 1 A 20 20 ALA HA H 20 4.210 4.296 -0.086 1
1 253 . 1 1 1 A 20 20 ALA C C 20 176.171 176.532 -0.361 1
1 254 . 1 1 1 A 20 20 ALA CA C 20 52.751 52.510 0.241 1
1 255 . 1 1 1 A 20 20 ALA CB C 20 20.563 20.240 0.323 1
1 256 . 1 1 1 A 20 20 ALA N N 20 121.746 123.459 -1.713 1
1 257 . 1 1 1 A 21 21 ARG H H 21 8.148 8.772 -0.624 1
1 258 . 1 1 1 A 21 21 ARG HA H 21 5.132 4.818 0.314 1
1 265 . 1 1 1 A 21 21 ARG C C 21 178.292 176.436 1.856 1
1 266 . 1 1 1 A 21 21 ARG CA C 21 53.369 54.426 -1.057 1
1 267 . 1 1 1 A 21 21 ARG CB C 21 32.921 32.836 0.085 1
1 270 . 1 1 1 A 21 21 ARG N N 21 118.121 116.489 1.632 1
1 271 . 1 1 1 A 22 22 ALA H H 22 8.867 9.224 -0.357 1
1 272 . 1 1 1 A 22 22 ALA HA H 22 3.799 3.987 -0.188 1
1 276 . 1 1 1 A 22 22 ALA C C 22 178.735 179.480 -0.745 1
1 277 . 1 1 1 A 22 22 ALA CA C 22 55.872 55.136 0.736 1
1 278 . 1 1 1 A 22 22 ALA CB C 22 18.375 18.392 -0.017 1
1 279 . 1 1 1 A 22 22 ALA N N 22 123.186 122.798 0.388 1
1 280 . 1 1 1 A 23 23 SER H H 23 8.383 8.068 0.315 1
1 281 . 1 1 1 A 23 23 SER HA H 23 4.205 4.146 0.059 1
1 284 . 1 1 1 A 23 23 SER C C 23 176.754 177.343 -0.589 1
1 285 . 1 1 1 A 23 23 SER CA C 23 60.557 61.340 -0.783 1
1 286 . 1 1 1 A 23 23 SER CB C 23 61.807 62.944 -1.137 1
1 287 . 1 1 1 A 23 23 SER N N 23 111.612 113.955 -2.343 1
1 288 . 1 1 1 A 24 24 GLN H H 24 7.744 8.109 -0.365 1
1 289 . 1 1 1 A 24 24 GLN HA H 24 4.173 3.921 0.252 1
1 294 . 1 1 1 A 24 24 GLN C C 24 178.689 178.041 0.648 1
1 295 . 1 1 1 A 24 24 GLN CA C 24 58.682 59.175 -0.493 1
1 296 . 1 1 1 A 24 24 GLN CB C 24 28.682 28.049 0.633 1
1 298 . 1 1 1 A 24 24 GLN N N 24 121.537 120.809 0.728 1
1 299 . 1 1 1 A 25 25 LEU H H 25 7.199 7.889 -0.690 1
1 300 . 1 1 1 A 25 25 LEU HA H 25 3.970 3.996 -0.026 1
1 310 . 1 1 1 A 25 25 LEU C C 25 177.966 178.464 -0.498 1
1 311 . 1 1 1 A 25 25 LEU CA C 25 56.810 58.170 -1.360 1
1 312 . 1 1 1 A 25 25 LEU CB C 25 41.494 41.404 0.090 1
1 316 . 1 1 1 A 25 25 LEU N N 25 119.709 122.222 -2.513 1
1 317 . 1 1 1 A 26 26 SER H H 26 8.650 8.095 0.555 1
1 318 . 1 1 1 A 26 26 SER HA H 26 3.970 3.976 -0.006 1
1 321 . 1 1 1 A 26 26 SER C C 26 176.917 176.076 0.841 1
1 322 . 1 1 1 A 26 26 SER CA C 26 62.744 62.136 0.608 1
1 323 . 1 1 1 A 26 26 SER CB C 26 62.119 62.923 -0.804 1
1 324 . 1 1 1 A 26 26 SER N N 26 114.988 115.824 -0.836 1
1 325 . 1 1 1 A 27 27 ASN H H 27 7.876 7.744 0.132 1
1 326 . 1 1 1 A 27 27 ASN HA H 27 4.517 4.433 0.084 1
1 329 . 1 1 1 A 27 27 ASN C C 27 177.197 177.701 -0.504 1
1 330 . 1 1 1 A 27 27 ASN CA C 27 55.869 56.672 -0.803 1
1 331 . 1 1 1 A 27 27 ASN CB C 27 38.369 39.012 -0.643 1
1 332 . 1 1 1 A 27 27 ASN N N 27 118.197 119.796 -1.599 1
1 333 . 1 1 1 A 28 28 LEU H H 28 7.433 8.028 -0.595 1
1 334 . 1 1 1 A 28 28 LEU HA H 28 4.219 3.897 0.322 1
1 344 . 1 1 1 A 28 28 LEU C C 28 179.411 178.681 0.730 1
1 345 . 1 1 1 A 28 28 LEU CA C 28 57.122 57.847 -0.725 1
1 346 . 1 1 1 A 28 28 LEU CB C 28 41.984 41.901 0.083 1
1 350 . 1 1 1 A 28 28 LEU N N 28 120.223 120.025 0.198 1
1 351 . 1 1 1 A 29 29 LEU H H 29 7.866 7.977 -0.111 1
1 352 . 1 1 1 A 29 29 LEU HA H 29 4.091 3.845 0.246 1
1 362 . 1 1 1 A 29 29 LEU C C 29 178.386 179.297 -0.911 1
1 363 . 1 1 1 A 29 29 LEU CA C 29 56.497 57.491 -0.994 1
1 364 . 1 1 1 A 29 29 LEU CB C 29 42.124 40.338 1.786 1
1 368 . 1 1 1 A 29 29 LEU N N 29 119.017 117.762 1.255 1
1 369 . 1 1 1 A 30 30 SER H H 30 8.117 7.983 0.134 1
1 370 . 1 1 1 A 30 30 SER HA H 30 4.615 4.059 0.556 1
1 373 . 1 1 1 A 30 30 SER C C 30 175.145 177.045 -1.900 1
1 374 . 1 1 1 A 30 30 SER CA C 30 59.932 61.327 -1.395 1
1 375 . 1 1 1 A 30 30 SER CB C 30 63.057 62.834 0.223 1
1 376 . 1 1 1 A 30 30 SER N N 30 114.044 114.988 -0.944 1
1 377 . 1 1 1 A 31 31 SER H H 31 8.084 8.094 -0.010 1
1 378 . 1 1 1 A 31 31 SER HA H 31 4.535 4.043 0.492 1
1 381 . 1 1 1 A 31 31 SER CA C 31 58.994 61.331 -2.337 1
1 382 . 1 1 1 A 31 31 SER CB C 31 63.682 62.982 0.700 1
1 383 . 1 1 1 A 31 31 SER N N 31 115.938 115.408 0.530 1
1 384 . 1 1 1 A 32 32 SER HA H 32 4.547 4.462 0.085 1
1 387 . 1 1 1 A 32 32 SER CA C 32 58.682 58.407 0.275 1
1 388 . 1 1 1 A 32 32 SER CB C 32 63.369 64.464 -1.095 1
1 389 . 1 1 1 A 33 33 GLY H H 33 8.080 8.445 -0.365 1
1 390 . 1 1 1 A 33 33 GLY HA2 H 33 3.786 3.807 -0.021 1
1 391 . 1 1 1 A 33 33 GLY HA3 H 33 4.160 3.820 0.340 1
1 392 . 1 1 1 A 33 33 GLY C C 33 173.746 174.551 -0.805 1
1 393 . 1 1 1 A 33 33 GLY CA C 33 45.561 46.996 -1.435 1
1 394 . 1 1 1 A 33 33 GLY N N 33 109.530 111.631 -2.101 1
1 395 . 1 1 1 A 34 34 MET H H 34 7.781 7.716 0.065 1
1 396 . 1 1 1 A 34 34 MET HA H 34 4.371 4.663 -0.292 1
1 401 . 1 1 1 A 34 34 MET C C 34 174.073 175.273 -1.200 1
1 402 . 1 1 1 A 34 34 MET CA C 34 54.619 55.524 -0.905 1
1 403 . 1 1 1 A 34 34 MET CB C 34 33.994 33.982 0.012 1
1 405 . 1 1 1 A 34 34 MET N N 34 119.527 119.842 -0.315 1
1 406 . 1 1 1 A 35 35 ALA H H 35 7.956 8.491 -0.535 1
1 407 . 1 1 1 A 35 35 ALA HA H 35 4.374 4.582 -0.208 1
1 411 . 1 1 1 A 35 35 ALA C C 35 175.915 175.368 0.547 1
1 412 . 1 1 1 A 35 35 ALA CA C 35 51.185 51.355 -0.170 1
1 413 . 1 1 1 A 35 35 ALA CB C 35 19.000 20.002 -1.002 1
1 414 . 1 1 1 A 35 35 ALA N N 35 125.314 122.390 2.924 1
1 415 . 1 1 1 A 36 36 PHE H H 36 7.838 7.841 -0.003 1
1 416 . 1 1 1 A 36 36 PHE HA H 36 4.858 5.307 -0.449 1
1 424 . 1 1 1 A 36 36 PHE C C 36 175.868 173.672 2.196 1
1 425 . 1 1 1 A 36 36 PHE CA C 36 57.122 54.969 2.153 1
1 426 . 1 1 1 A 36 36 PHE CB C 36 41.812 41.491 0.321 1
1 427 . 1 1 1 A 36 36 PHE N N 36 117.347 120.231 -2.884 1
1 428 . 1 1 1 A 37 37 SER H H 37 8.943 8.286 0.657 1
1 429 . 1 1 1 A 37 37 SER HA H 37 4.623 4.764 -0.141 1
1 432 . 1 1 1 A 37 37 SER C C 37 173.490 174.399 -0.909 1
1 433 . 1 1 1 A 37 37 SER CA C 37 57.432 58.980 -1.548 1
1 434 . 1 1 1 A 37 37 SER CB C 37 63.994 64.004 -0.010 1
1 435 . 1 1 1 A 37 37 SER N N 37 117.034 116.225 0.809 1
1 436 . 1 1 1 A 38 38 LEU H H 38 8.787 8.817 -0.030 1
1 437 . 1 1 1 A 38 38 LEU HA H 38 5.072 4.886 0.186 1
1 447 . 1 1 1 A 38 38 LEU C C 38 175.467 175.753 -0.286 1
1 448 . 1 1 1 A 38 38 LEU CA C 38 53.994 54.194 -0.200 1
1 449 . 1 1 1 A 38 38 LEU CB C 38 43.057 43.605 -0.548 1
1 453 . 1 1 1 A 38 38 LEU N N 38 124.534 124.437 0.097 1
1 454 . 1 1 1 A 39 39 HIS H H 39 9.132 8.695 0.437 1
1 455 . 1 1 1 A 39 39 HIS HA H 39 5.434 5.924 -0.490 1
1 458 . 1 1 1 A 39 39 HIS C C 39 174.656 172.955 1.701 1
1 459 . 1 1 1 A 39 39 HIS CA C 39 53.994 53.329 0.665 1
1 460 . 1 1 1 A 39 39 HIS CB C 39 35.869 33.488 2.381 1
1 461 . 1 1 1 A 39 39 HIS N N 39 121.803 120.994 0.809 1
1 462 . 1 1 1 A 40 40 THR H H 40 9.101 8.873 0.228 1
1 463 . 1 1 1 A 40 40 THR HA H 40 4.947 4.936 0.011 1
1 468 . 1 1 1 A 40 40 THR C C 40 173.373 173.977 -0.604 1
1 469 . 1 1 1 A 40 40 THR CA C 40 60.872 60.017 0.855 1
1 470 . 1 1 1 A 40 40 THR CB C 40 69.934 72.022 -2.088 1
1 472 . 1 1 1 A 40 40 THR N N 40 114.826 113.696 1.130 1
1 473 . 1 1 1 A 41 41 GLN H H 41 9.462 9.413 0.049 1
1 474 . 1 1 1 A 41 41 GLN HA H 41 3.967 3.989 -0.022 1
1 479 . 1 1 1 A 41 41 GLN C C 41 176.031 175.780 0.251 1
1 480 . 1 1 1 A 41 41 GLN CA C 41 56.809 57.000 -0.191 1
1 481 . 1 1 1 A 41 41 GLN CB C 41 27.119 27.189 -0.070 1
1 483 . 1 1 1 A 41 41 GLN N N 41 125.458 127.939 -2.481 1
1 484 . 1 1 1 A 42 42 GLY H H 42 9.114 8.781 0.333 1
1 485 . 1 1 1 A 42 42 GLY HA2 H 42 3.681 3.744 -0.063 1
1 486 . 1 1 1 A 42 42 GLY HA3 H 42 4.177 3.800 0.377 1
1 487 . 1 1 1 A 42 42 GLY C C 42 173.977 173.679 0.298 1
1 488 . 1 1 1 A 42 42 GLY CA C 42 45.557 45.532 0.025 1
1 489 . 1 1 1 A 42 42 GLY N N 42 105.029 104.496 0.533 1
1 490 . 1 1 1 A 43 43 ARG H H 43 8.140 8.186 -0.046 1
1 491 . 1 1 1 A 43 43 ARG HA H 43 4.725 4.809 -0.084 1
1 498 . 1 1 1 A 43 43 ARG CA C 43 53.994 53.922 0.072 1
1 499 . 1 1 1 A 43 43 ARG CB C 43 32.744 33.797 -1.053 1
1 502 . 1 1 1 A 43 43 ARG N N 43 121.025 120.208 0.817 1
1 503 . 1 1 1 A 44 44 VAL HA H 44 3.819 4.254 -0.435 1
1 511 . 1 1 1 A 44 44 VAL C C 44 176.124 175.691 0.433 1
1 512 . 1 1 1 A 44 44 VAL CA C 44 62.747 63.116 -0.369 1
1 513 . 1 1 1 A 44 44 VAL CB C 44 32.125 32.209 -0.084 1
1 516 . 1 1 1 A 45 45 LEU H H 45 8.513 8.565 -0.052 1
1 517 . 1 1 1 A 45 45 LEU HA H 45 4.388 4.969 -0.581 1
1 527 . 1 1 1 A 45 45 LEU C C 45 177.197 177.517 -0.320 1
1 528 . 1 1 1 A 45 45 LEU CA C 45 53.682 53.439 0.243 1
1 529 . 1 1 1 A 45 45 LEU CB C 45 42.437 43.511 -1.074 1
1 533 . 1 1 1 A 45 45 LEU N N 45 129.261 127.880 1.381 1
1 534 . 1 1 1 A 46 46 SER H H 46 8.238 8.811 -0.573 1
1 535 . 1 1 1 A 46 46 SER HA H 46 4.441 4.829 -0.388 1
1 538 . 1 1 1 A 46 46 SER C C 46 175.052 175.920 -0.868 1
1 539 . 1 1 1 A 46 46 SER CA C 46 57.744 57.224 0.520 1
1 540 . 1 1 1 A 46 46 SER CB C 46 63.682 65.181 -1.499 1
1 541 . 1 1 1 A 46 46 SER N N 46 116.459 118.490 -2.031 1
1 542 . 1 1 1 A 47 47 GLU H H 47 8.743 9.034 -0.291 1
1 543 . 1 1 1 A 47 47 GLU HA H 47 4.009 4.055 -0.046 1
1 548 . 1 1 1 A 47 47 GLU C C 47 176.054 177.309 -1.255 1
1 549 . 1 1 1 A 47 47 GLU CA C 47 59.307 59.194 0.113 1
1 550 . 1 1 1 A 47 47 GLU CB C 47 29.619 29.339 0.280 1
1 552 . 1 1 1 A 47 47 GLU N N 47 121.669 121.409 0.260 1
1 553 . 1 1 1 A 48 48 ALA H H 48 7.738 7.452 0.286 1
1 554 . 1 1 1 A 48 48 ALA HA H 48 4.477 4.473 0.004 1
1 558 . 1 1 1 A 48 48 ALA C C 48 177.267 177.384 -0.117 1
1 559 . 1 1 1 A 48 48 ALA CA C 48 50.873 51.544 -0.671 1
1 560 . 1 1 1 A 48 48 ALA CB C 48 19.000 19.585 -0.585 1
1 561 . 1 1 1 A 48 48 ALA N N 48 117.799 120.892 -3.093 1
1 562 . 1 1 1 A 49 49 ALA H H 49 7.597 7.536 0.061 1
1 563 . 1 1 1 A 49 49 ALA HA H 49 4.086 4.180 -0.094 1
1 567 . 1 1 1 A 49 49 ALA C C 49 177.104 176.959 0.145 1
1 568 . 1 1 1 A 49 49 ALA CA C 49 52.748 53.185 -0.437 1
1 569 . 1 1 1 A 49 49 ALA CB C 49 19.938 19.263 0.675 1
1 570 . 1 1 1 A 49 49 ALA N N 49 122.785 122.204 0.581 1
1 571 . 1 1 1 A 50 50 GLU H H 50 8.511 8.665 -0.154 1
1 572 . 1 1 1 A 50 50 GLU HA H 50 4.140 5.097 -0.957 1
1 577 . 1 1 1 A 50 50 GLU C C 50 176.054 176.295 -0.241 1
1 578 . 1 1 1 A 50 50 GLU CA C 50 56.807 54.977 1.830 1
1 579 . 1 1 1 A 50 50 GLU CB C 50 30.557 31.078 -0.521 1
1 581 . 1 1 1 A 50 50 GLU N N 50 121.303 121.153 0.150 1
1 582 . 1 1 1 A 51 51 LEU H H 51 8.047 8.871 -0.824 1
1 583 . 1 1 1 A 51 51 LEU HA H 51 4.501 4.184 0.317 1
1 593 . 1 1 1 A 51 51 LEU C C 51 174.656 176.498 -1.842 1
1 594 . 1 1 1 A 51 51 LEU CA C 51 53.379 56.806 -3.427 1
1 595 . 1 1 1 A 51 51 LEU CB C 51 42.121 42.093 0.028 1
1 599 . 1 1 1 A 51 51 LEU N N 51 122.325 126.021 -3.696 1
1 600 . 1 1 1 A 52 52 ASN H H 52 7.424 7.617 -0.193 1
1 601 . 1 1 1 A 52 52 ASN HA H 52 5.067 4.950 0.117 1
1 606 . 1 1 1 A 52 52 ASN C C 52 173.094 172.775 0.319 1
1 607 . 1 1 1 A 52 52 ASN CA C 52 52.119 52.244 -0.125 1
1 608 . 1 1 1 A 52 52 ASN CB C 52 42.744 41.400 1.344 1
1 609 . 1 1 1 A 52 52 ASN N N 52 115.275 112.578 2.697 1
1 611 . 1 1 1 A 53 53 ASP H H 53 8.495 8.698 -0.203 1
1 612 . 1 1 1 A 53 53 ASP HA H 53 4.376 4.494 -0.118 1
1 615 . 1 1 1 A 53 53 ASP C C 53 176.544 176.832 -0.288 1
1 616 . 1 1 1 A 53 53 ASP CA C 53 55.869 54.106 1.763 1
1 617 . 1 1 1 A 53 53 ASP CB C 53 41.807 41.754 0.053 1
1 618 . 1 1 1 A 53 53 ASP N N 53 118.480 120.998 -2.518 1
1 619 . 1 1 1 A 54 54 LYS H H 54 9.479 8.845 0.634 1
1 620 . 1 1 1 A 54 54 LYS HA H 54 3.713 3.775 -0.062 1
1 621 . 1 1 1 A 54 54 LYS C C 54 175.495 175.204 0.291 1
1 622 . 1 1 1 A 54 54 LYS CA C 54 57.750 57.037 0.713 1
1 623 . 1 1 1 A 54 54 LYS N N 54 119.414 120.165 -0.751 1
1 624 . 1 1 1 A 55 55 MET H H 55 7.665 8.014 -0.349 1
1 625 . 1 1 1 A 55 55 MET HA H 55 4.198 4.713 -0.515 1
1 630 . 1 1 1 A 55 55 MET C C 55 173.746 174.857 -1.111 1
1 631 . 1 1 1 A 55 55 MET CA C 55 57.119 54.257 2.862 1
1 632 . 1 1 1 A 55 55 MET CB C 55 34.932 34.642 0.290 1
1 634 . 1 1 1 A 55 55 MET N N 55 119.804 115.588 4.216 1
1 635 . 1 1 1 A 56 56 VAL H H 56 8.282 8.451 -0.169 1
1 636 . 1 1 1 A 56 56 VAL HA H 56 4.831 4.924 -0.093 1
1 644 . 1 1 1 A 56 56 VAL C C 56 176.264 174.660 1.604 1
1 645 . 1 1 1 A 56 56 VAL CA C 56 61.497 61.446 0.051 1
1 646 . 1 1 1 A 56 56 VAL CB C 56 32.437 35.208 -2.771 1
1 649 . 1 1 1 A 56 56 VAL N N 56 122.814 118.145 4.669 1
1 650 . 1 1 1 A 57 57 ILE H H 57 9.651 9.147 0.504 1
1 651 . 1 1 1 A 57 57 ILE HA H 57 4.644 4.749 -0.105 1
1 661 . 1 1 1 A 57 57 ILE C C 57 173.770 174.216 -0.446 1
1 662 . 1 1 1 A 57 57 ILE CA C 57 59.307 60.102 -0.795 1
1 663 . 1 1 1 A 57 57 ILE CB C 57 41.494 40.630 0.864 1
1 667 . 1 1 1 A 57 57 ILE N N 57 132.467 127.427 5.040 1
1 668 . 1 1 1 A 58 58 ASP H H 58 9.257 8.902 0.355 1
1 669 . 1 1 1 A 58 58 ASP HA H 58 5.173 4.881 0.292 1
1 672 . 1 1 1 A 58 58 ASP C C 58 173.886 174.790 -0.904 1
1 673 . 1 1 1 A 58 58 ASP CA C 58 53.994 53.382 0.612 1
1 674 . 1 1 1 A 58 58 ASP CB C 58 43.682 41.410 2.272 1
1 675 . 1 1 1 A 58 58 ASP N N 58 127.121 128.629 -1.508 1
1 676 . 1 1 1 A 59 59 ALA H H 59 8.424 9.001 -0.577 1
1 677 . 1 1 1 A 59 59 ALA HA H 59 5.335 5.107 0.228 1
1 681 . 1 1 1 A 59 59 ALA C C 59 175.611 175.869 -0.258 1
1 682 . 1 1 1 A 59 59 ALA CA C 59 49.935 50.491 -0.556 1
1 683 . 1 1 1 A 59 59 ALA CB C 59 20.875 20.095 0.780 1
1 684 . 1 1 1 A 59 59 ALA N N 59 125.860 129.324 -3.464 1
1 685 . 1 1 1 A 60 60 PHE H H 60 8.621 9.114 -0.493 1
1 686 . 1 1 1 A 60 60 PHE HA H 60 4.986 5.154 -0.168 1
1 693 . 1 1 1 A 60 60 PHE C C 60 174.469 174.323 0.146 1
1 694 . 1 1 1 A 60 60 PHE CA C 60 55.872 56.300 -0.428 1
1 695 . 1 1 1 A 60 60 PHE CB C 60 41.187 41.526 -0.339 1
1 696 . 1 1 1 A 60 60 PHE N N 60 119.918 125.574 -5.656 1
1 697 . 1 1 1 A 61 61 VAL H H 61 8.648 8.524 0.124 1
1 698 . 1 1 1 A 61 61 VAL HA H 61 4.458 4.405 0.053 1
1 706 . 1 1 1 A 61 61 VAL CA C 61 59.622 59.096 0.526 1
1 707 . 1 1 1 A 61 61 VAL CB C 61 32.437 32.882 -0.445 1
1 710 . 1 1 1 A 61 61 VAL N N 61 123.408 123.108 0.300 1
1 711 . 1 1 1 A 62 62 PRO HA H 62 4.395 4.676 -0.281 1
1 718 . 1 1 1 A 62 62 PRO C C 62 176.614 176.434 0.180 1
1 719 . 1 1 1 A 62 62 PRO CA C 62 63.057 62.385 0.672 1
1 720 . 1 1 1 A 62 62 PRO CB C 62 32.119 32.368 -0.249 1
1 723 . 1 1 1 A 63 63 ALA H H 63 8.410 8.494 -0.084 1
1 724 . 1 1 1 A 63 63 ALA HA H 63 4.281 4.979 -0.698 1
1 728 . 1 1 1 A 63 63 ALA C C 63 177.527 175.787 1.740 1
1 729 . 1 1 1 A 63 63 ALA CA C 63 52.435 50.509 1.926 1
1 730 . 1 1 1 A 63 63 ALA CB C 63 19.000 23.565 -4.565 1
1 731 . 1 1 1 A 63 63 ALA N N 63 124.350 123.133 1.217 1
1 732 . 1 1 1 A 64 64 ASP H H 64 8.264 8.761 -0.497 1
1 733 . 1 1 1 A 64 64 ASP HA H 64 4.571 4.266 0.305 1
1 736 . 1 1 1 A 64 64 ASP C C 64 176.824 177.471 -0.647 1
1 737 . 1 1 1 A 64 64 ASP CA C 64 53.994 55.897 -1.903 1
1 738 . 1 1 1 A 64 64 ASP CB C 64 41.182 40.144 1.038 1
1 739 . 1 1 1 A 64 64 ASP N N 64 118.930 118.876 0.054 1
1 740 . 1 1 1 A 65 65 GLY H H 65 8.289 8.743 -0.454 1
1 741 . 1 1 1 A 65 65 GLY HA2 H 65 3.906 3.933 -0.027 1
1 742 . 1 1 1 A 65 65 GLY HA3 H 65 3.906 3.935 -0.029 1
1 743 . 1 1 1 A 65 65 GLY C C 65 174.096 174.627 -0.531 1
1 744 . 1 1 1 A 65 65 GLY CA C 65 45.249 45.839 -0.590 1
1 745 . 1 1 1 A 65 65 GLY N N 65 109.281 112.651 -3.370 1
1 746 . 1 1 1 A 66 66 ALA H H 66 8.147 7.941 0.206 1
1 747 . 1 1 1 A 66 66 ALA HA H 66 4.306 4.031 0.275 1
1 751 . 1 1 1 A 66 66 ALA CA C 66 52.435 54.707 -2.272 1
1 752 . 1 1 1 A 66 66 ALA CB C 66 19.000 18.025 0.975 1
1 753 . 1 1 1 A 66 66 ALA N N 66 123.586 115.109 8.477 1
1 754 . 1 1 1 A 67 67 GLY H H 67 8.414 7.621 0.793 1
1 755 . 1 1 1 A 67 67 GLY HA2 H 67 3.921 4.153 -0.232 1
1 756 . 1 1 1 A 67 67 GLY HA3 H 67 3.921 4.154 -0.233 1
1 757 . 1 1 1 A 67 67 GLY C C 67 174.306 174.951 -0.645 1
1 758 . 1 1 1 A 67 67 GLY CA C 67 45.561 45.666 -0.105 1
1 759 . 1 1 1 A 67 67 GLY N N 67 108.025 102.944 5.081 1
1 760 . 1 1 1 A 68 68 LEU H H 68 7.994 8.918 -0.924 1
1 761 . 1 1 1 A 68 68 LEU HA H 68 4.265 3.944 0.321 1
1 771 . 1 1 1 A 68 68 LEU C C 68 177.430 178.466 -1.036 1
1 772 . 1 1 1 A 68 68 LEU CA C 68 54.935 58.262 -3.327 1
1 773 . 1 1 1 A 68 68 LEU CB C 68 42.124 42.090 0.034 1
1 777 . 1 1 1 A 68 68 LEU N N 68 121.101 125.350 -4.249 1
1 16 . 2 1 1 A 2 2 LEU H H 2 9.099 8.718 0.381 1
1 17 . 2 1 1 A 2 2 LEU HA H 2 5.183 5.384 -0.201 1
1 26 . 2 1 1 A 2 2 LEU C C 2 176.031 174.380 1.651 1
1 27 . 2 1 1 A 2 2 LEU CA C 2 53.682 53.361 0.321 1
1 28 . 2 1 1 A 2 2 LEU CB C 2 43.994 45.260 -1.266 1
1 31 . 2 1 1 A 2 2 LEU N N 2 125.441 121.197 4.244 1
1 32 . 2 1 1 A 3 3 VAL H H 3 9.070 9.014 0.056 1
1 33 . 2 1 1 A 3 3 VAL HA H 3 4.720 4.704 0.016 1
1 41 . 2 1 1 A 3 3 VAL C C 3 173.653 174.693 -1.040 1
1 42 . 2 1 1 A 3 3 VAL CA C 3 59.935 60.914 -0.979 1
1 43 . 2 1 1 A 3 3 VAL CB C 3 34.312 35.285 -0.973 1
1 46 . 2 1 1 A 3 3 VAL N N 3 123.079 125.853 -2.774 1
1 47 . 2 1 1 A 4 4 ILE H H 4 8.552 9.303 -0.751 1
1 48 . 2 1 1 A 4 4 ILE HA H 4 4.530 4.749 -0.219 1
1 58 . 2 1 1 A 4 4 ILE C C 4 174.344 175.328 -0.984 1
1 59 . 2 1 1 A 4 4 ILE CA C 4 59.313 60.435 -1.122 1
1 60 . 2 1 1 A 4 4 ILE CB C 4 38.999 37.475 1.524 1
1 64 . 2 1 1 A 4 4 ILE N N 4 124.929 128.536 -3.607 1
1 65 . 2 1 1 A 5 5 VAL H H 5 8.911 8.569 0.342 1
1 66 . 2 1 1 A 5 5 VAL HA H 5 4.968 4.438 0.530 1
1 74 . 2 1 1 A 5 5 VAL C C 5 174.722 175.471 -0.749 1
1 75 . 2 1 1 A 5 5 VAL CA C 5 60.247 62.683 -2.436 1
1 76 . 2 1 1 A 5 5 VAL CB C 5 33.369 32.530 0.839 1
1 79 . 2 1 1 A 5 5 VAL N N 5 127.032 128.437 -1.405 1
1 80 . 2 1 1 A 6 6 ARG H H 6 9.417 8.924 0.493 1
1 81 . 2 1 1 A 6 6 ARG HA H 6 4.945 4.768 0.177 1
1 89 . 2 1 1 A 6 6 ARG C C 6 174.662 175.325 -0.663 1
1 90 . 2 1 1 A 6 6 ARG CA C 6 55.557 55.011 0.546 1
1 91 . 2 1 1 A 6 6 ARG CB C 6 30.557 30.822 -0.265 1
1 94 . 2 1 1 A 6 6 ARG N N 6 127.895 127.635 0.260 1
1 96 . 2 1 1 A 7 7 LEU H H 7 8.368 8.979 -0.611 1
1 97 . 2 1 1 A 7 7 LEU HA H 7 4.761 4.320 0.441 1
1 107 . 2 1 1 A 7 7 LEU C C 7 175.869 177.759 -1.890 1
1 108 . 2 1 1 A 7 7 LEU CA C 7 53.682 54.212 -0.530 1
1 109 . 2 1 1 A 7 7 LEU CB C 7 43.994 42.708 1.286 1
1 112 . 2 1 1 A 7 7 LEU N N 7 127.357 126.967 0.390 1
1 113 . 2 1 1 A 8 8 GLN H H 8 9.244 8.826 0.418 1
1 114 . 2 1 1 A 8 8 GLN HA H 8 3.825 3.931 -0.106 1
1 119 . 2 1 1 A 8 8 GLN C C 8 175.478 176.663 -1.185 1
1 120 . 2 1 1 A 8 8 GLN CA C 8 58.372 59.791 -1.419 1
1 121 . 2 1 1 A 8 8 GLN CB C 8 27.125 28.842 -1.717 1
1 123 . 2 1 1 A 8 8 GLN N N 8 123.025 124.228 -1.203 1
1 124 . 2 1 1 A 9 9 ASP H H 9 8.622 8.216 0.406 1
1 125 . 2 1 1 A 9 9 ASP HA H 9 4.609 4.736 -0.127 1
1 128 . 2 1 1 A 9 9 ASP C C 9 175.352 174.728 0.624 1
1 129 . 2 1 1 A 9 9 ASP CA C 9 54.619 53.191 1.428 1
1 130 . 2 1 1 A 9 9 ASP CB C 9 40.576 41.688 -1.112 1
1 131 . 2 1 1 A 9 9 ASP N N 9 117.207 118.573 -1.366 1
1 132 . 2 1 1 A 10 10 GLN H H 10 7.972 7.576 0.396 1
1 133 . 2 1 1 A 10 10 GLN HA H 10 4.644 4.779 -0.135 1
1 138 . 2 1 1 A 10 10 GLN C C 10 174.812 174.443 0.369 1
1 139 . 2 1 1 A 10 10 GLN CA C 10 54.932 54.643 0.289 1
1 140 . 2 1 1 A 10 10 GLN CB C 10 31.807 30.877 0.930 1
1 142 . 2 1 1 A 10 10 GLN N N 10 118.451 119.191 -0.740 1
1 143 . 2 1 1 A 11 11 THR H H 11 8.593 8.928 -0.335 1
1 144 . 2 1 1 A 11 11 THR HA H 11 4.874 5.326 -0.452 1
1 149 . 2 1 1 A 11 11 THR C C 11 173.521 173.634 -0.113 1
1 150 . 2 1 1 A 11 11 THR CA C 11 61.810 61.880 -0.070 1
1 151 . 2 1 1 A 11 11 THR CB C 11 69.934 70.118 -0.184 1
1 153 . 2 1 1 A 11 11 THR N N 11 118.464 120.237 -1.773 1
1 154 . 2 1 1 A 12 12 LEU H H 12 9.554 8.664 0.890 1
1 155 . 2 1 1 A 12 12 LEU HA H 12 4.872 4.814 0.058 1
1 164 . 2 1 1 A 12 12 LEU CA C 12 51.494 51.751 -0.257 1
1 165 . 2 1 1 A 12 12 LEU CB C 12 44.932 45.500 -0.568 1
1 168 . 2 1 1 A 12 12 LEU N N 12 128.567 126.324 2.243 1
1 169 . 2 1 1 A 13 13 PRO HA H 13 5.141 4.839 0.302 1
1 176 . 2 1 1 A 13 13 PRO C C 13 176.800 175.433 1.367 1
1 177 . 2 1 1 A 13 13 PRO CA C 13 60.869 62.368 -1.499 1
1 178 . 2 1 1 A 13 13 PRO CB C 13 32.119 33.364 -1.245 1
1 181 . 2 1 1 A 14 14 PHE H H 14 9.302 8.529 0.773 1
1 182 . 2 1 1 A 14 14 PHE HA H 14 4.622 4.919 -0.297 1
1 189 . 2 1 1 A 14 14 PHE C C 14 173.677 174.444 -0.767 1
1 190 . 2 1 1 A 14 14 PHE CA C 14 57.747 56.061 1.686 1
1 191 . 2 1 1 A 14 14 PHE CB C 14 42.749 42.843 -0.094 1
1 192 . 2 1 1 A 14 14 PHE N N 14 121.778 120.304 1.474 1
1 193 . 2 1 1 A 15 15 GLU H H 15 8.516 8.818 -0.302 1
1 194 . 2 1 1 A 15 15 GLU HA H 15 5.260 4.664 0.596 1
1 199 . 2 1 1 A 15 15 GLU C C 15 175.821 175.706 0.115 1
1 200 . 2 1 1 A 15 15 GLU CA C 15 54.932 56.608 -1.676 1
1 201 . 2 1 1 A 15 15 GLU CB C 15 30.244 30.402 -0.158 1
1 203 . 2 1 1 A 15 15 GLU N N 15 123.002 124.150 -1.148 1
1 204 . 2 1 1 A 16 16 LEU H H 16 8.937 8.612 0.325 1
1 205 . 2 1 1 A 16 16 LEU HA H 16 4.952 4.822 0.130 1
1 215 . 2 1 1 A 16 16 LEU CA C 16 51.494 51.625 -0.131 1
1 216 . 2 1 1 A 16 16 LEU CB C 16 44.941 44.507 0.434 1
1 220 . 2 1 1 A 16 16 LEU N N 16 126.803 129.101 -2.298 1
1 221 . 2 1 1 A 17 17 PRO HA H 17 4.547 4.610 -0.063 1
1 228 . 2 1 1 A 17 17 PRO C C 17 175.472 176.253 -0.781 1
1 229 . 2 1 1 A 17 17 PRO CA C 17 62.119 62.292 -0.173 1
1 230 . 2 1 1 A 17 17 PRO CB C 17 32.119 32.638 -0.519 1
1 233 . 2 1 1 A 18 18 ALA H H 18 7.892 8.245 -0.353 1
1 234 . 2 1 1 A 18 18 ALA HA H 18 4.065 3.962 0.103 1
1 238 . 2 1 1 A 18 18 ALA C C 18 178.735 178.680 0.055 1
1 239 . 2 1 1 A 18 18 ALA CA C 18 53.060 53.857 -0.797 1
1 240 . 2 1 1 A 18 18 ALA CB C 18 18.063 18.472 -0.409 1
1 241 . 2 1 1 A 18 18 ALA N N 18 121.997 124.980 -2.983 1
1 242 . 2 1 1 A 19 19 GLY H H 19 8.519 8.867 -0.348 1
1 243 . 2 1 1 A 19 19 GLY HA2 H 19 3.754 3.842 -0.088 1
1 244 . 2 1 1 A 19 19 GLY HA3 H 19 4.066 3.844 0.222 1
1 245 . 2 1 1 A 19 19 GLY C C 19 174.376 174.751 -0.375 1
1 246 . 2 1 1 A 19 19 GLY CA C 19 44.625 46.865 -2.240 1
1 247 . 2 1 1 A 19 19 GLY N N 19 110.335 110.566 -0.231 1
1 248 . 2 1 1 A 20 20 ALA H H 20 7.459 7.701 -0.242 1
1 249 . 2 1 1 A 20 20 ALA HA H 20 4.210 4.549 -0.339 1
1 253 . 2 1 1 A 20 20 ALA C C 20 176.171 177.009 -0.838 1
1 254 . 2 1 1 A 20 20 ALA CA C 20 52.751 52.588 0.163 1
1 255 . 2 1 1 A 20 20 ALA CB C 20 20.563 19.881 0.682 1
1 256 . 2 1 1 A 20 20 ALA N N 20 121.746 123.244 -1.498 1
1 257 . 2 1 1 A 21 21 ARG H H 21 8.148 8.618 -0.470 1
1 258 . 2 1 1 A 21 21 ARG HA H 21 5.132 4.731 0.401 1
1 265 . 2 1 1 A 21 21 ARG C C 21 178.292 177.004 1.288 1
1 266 . 2 1 1 A 21 21 ARG CA C 21 53.369 54.033 -0.664 1
1 267 . 2 1 1 A 21 21 ARG CB C 21 32.921 32.703 0.218 1
1 270 . 2 1 1 A 21 21 ARG N N 21 118.121 121.645 -3.524 1
1 271 . 2 1 1 A 22 22 ALA H H 22 8.867 9.167 -0.300 1
1 272 . 2 1 1 A 22 22 ALA HA H 22 3.799 4.031 -0.232 1
1 276 . 2 1 1 A 22 22 ALA C C 22 178.735 179.533 -0.798 1
1 277 . 2 1 1 A 22 22 ALA CA C 22 55.872 55.701 0.171 1
1 278 . 2 1 1 A 22 22 ALA CB C 22 18.375 18.177 0.198 1
1 279 . 2 1 1 A 22 22 ALA N N 22 123.186 123.790 -0.604 1
1 280 . 2 1 1 A 23 23 SER H H 23 8.383 8.197 0.186 1
1 281 . 2 1 1 A 23 23 SER HA H 23 4.205 4.022 0.183 1
1 284 . 2 1 1 A 23 23 SER C C 23 176.754 177.203 -0.449 1
1 285 . 2 1 1 A 23 23 SER CA C 23 60.557 61.499 -0.942 1
1 286 . 2 1 1 A 23 23 SER CB C 23 61.807 62.911 -1.104 1
1 287 . 2 1 1 A 23 23 SER N N 23 111.612 112.667 -1.055 1
1 288 . 2 1 1 A 24 24 GLN H H 24 7.744 8.102 -0.358 1
1 289 . 2 1 1 A 24 24 GLN HA H 24 4.173 3.988 0.185 1
1 294 . 2 1 1 A 24 24 GLN C C 24 178.689 177.567 1.122 1
1 295 . 2 1 1 A 24 24 GLN CA C 24 58.682 59.300 -0.618 1
1 296 . 2 1 1 A 24 24 GLN CB C 24 28.682 28.445 0.237 1
1 298 . 2 1 1 A 24 24 GLN N N 24 121.537 120.678 0.859 1
1 299 . 2 1 1 A 25 25 LEU H H 25 7.199 8.048 -0.849 1
1 300 . 2 1 1 A 25 25 LEU HA H 25 3.970 3.988 -0.018 1
1 310 . 2 1 1 A 25 25 LEU C C 25 177.966 178.396 -0.430 1
1 311 . 2 1 1 A 25 25 LEU CA C 25 56.810 58.127 -1.317 1
1 312 . 2 1 1 A 25 25 LEU CB C 25 41.494 41.313 0.181 1
1 316 . 2 1 1 A 25 25 LEU N N 25 119.709 121.343 -1.634 1
1 317 . 2 1 1 A 26 26 SER H H 26 8.650 8.419 0.231 1
1 318 . 2 1 1 A 26 26 SER HA H 26 3.970 3.995 -0.025 1
1 321 . 2 1 1 A 26 26 SER C C 26 176.917 177.113 -0.196 1
1 322 . 2 1 1 A 26 26 SER CA C 26 62.744 61.184 1.560 1
1 323 . 2 1 1 A 26 26 SER CB C 26 62.119 63.044 -0.925 1
1 324 . 2 1 1 A 26 26 SER N N 26 114.988 114.484 0.504 1
1 325 . 2 1 1 A 27 27 ASN H H 27 7.876 7.786 0.090 1
1 326 . 2 1 1 A 27 27 ASN HA H 27 4.517 4.430 0.087 1
1 329 . 2 1 1 A 27 27 ASN C C 27 177.197 177.650 -0.453 1
1 330 . 2 1 1 A 27 27 ASN CA C 27 55.869 56.683 -0.814 1
1 331 . 2 1 1 A 27 27 ASN CB C 27 38.369 38.883 -0.514 1
1 332 . 2 1 1 A 27 27 ASN N N 27 118.197 119.677 -1.480 1
1 333 . 2 1 1 A 28 28 LEU H H 28 7.433 8.035 -0.602 1
1 334 . 2 1 1 A 28 28 LEU HA H 28 4.219 3.872 0.347 1
1 344 . 2 1 1 A 28 28 LEU C C 28 179.411 178.989 0.422 1
1 345 . 2 1 1 A 28 28 LEU CA C 28 57.122 57.863 -0.741 1
1 346 . 2 1 1 A 28 28 LEU CB C 28 41.984 41.873 0.111 1
1 350 . 2 1 1 A 28 28 LEU N N 28 120.223 120.068 0.155 1
1 351 . 2 1 1 A 29 29 LEU H H 29 7.866 7.878 -0.012 1
1 352 . 2 1 1 A 29 29 LEU HA H 29 4.091 3.697 0.394 1
1 362 . 2 1 1 A 29 29 LEU C C 29 178.386 178.705 -0.319 1
1 363 . 2 1 1 A 29 29 LEU CA C 29 56.497 57.688 -1.191 1
1 364 . 2 1 1 A 29 29 LEU CB C 29 42.124 41.431 0.693 1
1 368 . 2 1 1 A 29 29 LEU N N 29 119.017 117.776 1.241 1
1 369 . 2 1 1 A 30 30 SER H H 30 8.117 8.004 0.113 1
1 370 . 2 1 1 A 30 30 SER HA H 30 4.615 3.878 0.737 1
1 373 . 2 1 1 A 30 30 SER C C 30 175.145 176.919 -1.774 1
1 374 . 2 1 1 A 30 30 SER CA C 30 59.932 61.655 -1.723 1
1 375 . 2 1 1 A 30 30 SER CB C 30 63.057 62.904 0.153 1
1 376 . 2 1 1 A 30 30 SER N N 30 114.044 114.494 -0.450 1
1 377 . 2 1 1 A 31 31 SER H H 31 8.084 8.268 -0.184 1
1 378 . 2 1 1 A 31 31 SER HA H 31 4.535 4.097 0.438 1
1 381 . 2 1 1 A 31 31 SER CA C 31 58.994 61.423 -2.429 1
1 382 . 2 1 1 A 31 31 SER CB C 31 63.682 63.100 0.582 1
1 383 . 2 1 1 A 31 31 SER N N 31 115.938 115.841 0.097 1
1 384 . 2 1 1 A 32 32 SER HA H 32 4.547 4.340 0.207 1
1 387 . 2 1 1 A 32 32 SER CA C 32 58.682 60.003 -1.321 1
1 388 . 2 1 1 A 32 32 SER CB C 32 63.369 64.301 -0.932 1
1 389 . 2 1 1 A 33 33 GLY H H 33 8.080 7.082 0.998 1
1 390 . 2 1 1 A 33 33 GLY HA2 H 33 3.786 4.081 -0.295 1
1 391 . 2 1 1 A 33 33 GLY HA3 H 33 4.160 4.102 0.058 1
1 392 . 2 1 1 A 33 33 GLY C C 33 173.746 172.688 1.058 1
1 393 . 2 1 1 A 33 33 GLY CA C 33 45.561 45.727 -0.166 1
1 394 . 2 1 1 A 33 33 GLY N N 33 109.530 108.134 1.396 1
1 395 . 2 1 1 A 34 34 MET H H 34 7.781 8.262 -0.481 1
1 396 . 2 1 1 A 34 34 MET HA H 34 4.371 4.542 -0.171 1
1 401 . 2 1 1 A 34 34 MET C C 34 174.073 175.396 -1.323 1
1 402 . 2 1 1 A 34 34 MET CA C 34 54.619 55.628 -1.009 1
1 403 . 2 1 1 A 34 34 MET CB C 34 33.994 32.593 1.401 1
1 405 . 2 1 1 A 34 34 MET N N 34 119.527 123.867 -4.340 1
1 406 . 2 1 1 A 35 35 ALA H H 35 7.956 8.559 -0.603 1
1 407 . 2 1 1 A 35 35 ALA HA H 35 4.374 4.589 -0.215 1
1 411 . 2 1 1 A 35 35 ALA C C 35 175.915 176.902 -0.987 1
1 412 . 2 1 1 A 35 35 ALA CA C 35 51.185 50.358 0.827 1
1 413 . 2 1 1 A 35 35 ALA CB C 35 19.000 20.339 -1.339 1
1 414 . 2 1 1 A 35 35 ALA N N 35 125.314 126.488 -1.174 1
1 415 . 2 1 1 A 36 36 PHE H H 36 7.838 7.999 -0.161 1
1 416 . 2 1 1 A 36 36 PHE HA H 36 4.858 5.249 -0.391 1
1 424 . 2 1 1 A 36 36 PHE C C 36 175.868 172.849 3.019 1
1 425 . 2 1 1 A 36 36 PHE CA C 36 57.122 54.928 2.194 1
1 426 . 2 1 1 A 36 36 PHE CB C 36 41.812 41.529 0.283 1
1 427 . 2 1 1 A 36 36 PHE N N 36 117.347 120.079 -2.732 1
1 428 . 2 1 1 A 37 37 SER H H 37 8.943 8.448 0.495 1
1 429 . 2 1 1 A 37 37 SER HA H 37 4.623 4.801 -0.178 1
1 432 . 2 1 1 A 37 37 SER C C 37 173.490 173.964 -0.474 1
1 433 . 2 1 1 A 37 37 SER CA C 37 57.432 57.902 -0.470 1
1 434 . 2 1 1 A 37 37 SER CB C 37 63.994 63.944 0.050 1
1 435 . 2 1 1 A 37 37 SER N N 37 117.034 115.695 1.339 1
1 436 . 2 1 1 A 38 38 LEU H H 38 8.787 9.039 -0.252 1
1 437 . 2 1 1 A 38 38 LEU HA H 38 5.072 4.971 0.101 1
1 447 . 2 1 1 A 38 38 LEU C C 38 175.467 175.922 -0.455 1
1 448 . 2 1 1 A 38 38 LEU CA C 38 53.994 53.331 0.663 1
1 449 . 2 1 1 A 38 38 LEU CB C 38 43.057 42.563 0.494 1
1 453 . 2 1 1 A 38 38 LEU N N 38 124.534 128.678 -4.144 1
1 454 . 2 1 1 A 39 39 HIS H H 39 9.132 9.107 0.025 1
1 455 . 2 1 1 A 39 39 HIS HA H 39 5.434 5.843 -0.409 1
1 458 . 2 1 1 A 39 39 HIS C C 39 174.656 172.459 2.197 1
1 459 . 2 1 1 A 39 39 HIS CA C 39 53.994 53.566 0.428 1
1 460 . 2 1 1 A 39 39 HIS CB C 39 35.869 33.508 2.361 1
1 461 . 2 1 1 A 39 39 HIS N N 39 121.803 120.331 1.472 1
1 462 . 2 1 1 A 40 40 THR H H 40 9.101 8.951 0.150 1
1 463 . 2 1 1 A 40 40 THR HA H 40 4.947 4.739 0.208 1
1 468 . 2 1 1 A 40 40 THR C C 40 173.373 173.877 -0.504 1
1 469 . 2 1 1 A 40 40 THR CA C 40 60.872 59.879 0.993 1
1 470 . 2 1 1 A 40 40 THR CB C 40 69.934 71.543 -1.609 1
1 472 . 2 1 1 A 40 40 THR N N 40 114.826 111.029 3.797 1
1 473 . 2 1 1 A 41 41 GLN H H 41 9.462 9.348 0.114 1
1 474 . 2 1 1 A 41 41 GLN HA H 41 3.967 4.020 -0.053 1
1 479 . 2 1 1 A 41 41 GLN C C 41 176.031 175.749 0.282 1
1 480 . 2 1 1 A 41 41 GLN CA C 41 56.809 57.067 -0.258 1
1 481 . 2 1 1 A 41 41 GLN CB C 41 27.119 27.379 -0.260 1
1 483 . 2 1 1 A 41 41 GLN N N 41 125.458 122.898 2.560 1
1 484 . 2 1 1 A 42 42 GLY H H 42 9.114 8.919 0.195 1
1 485 . 2 1 1 A 42 42 GLY HA2 H 42 3.681 3.903 -0.222 1
1 486 . 2 1 1 A 42 42 GLY HA3 H 42 4.177 3.970 0.207 1
1 487 . 2 1 1 A 42 42 GLY C C 42 173.977 173.899 0.078 1
1 488 . 2 1 1 A 42 42 GLY CA C 42 45.557 45.893 -0.336 1
1 489 . 2 1 1 A 42 42 GLY N N 42 105.029 104.724 0.305 1
1 490 . 2 1 1 A 43 43 ARG H H 43 8.140 8.003 0.137 1
1 491 . 2 1 1 A 43 43 ARG HA H 43 4.725 4.753 -0.028 1
1 498 . 2 1 1 A 43 43 ARG CA C 43 53.994 54.416 -0.422 1
1 499 . 2 1 1 A 43 43 ARG CB C 43 32.744 32.868 -0.124 1
1 502 . 2 1 1 A 43 43 ARG N N 43 121.025 120.014 1.011 1
1 503 . 2 1 1 A 44 44 VAL HA H 44 3.819 4.130 -0.311 1
1 511 . 2 1 1 A 44 44 VAL C C 44 176.124 175.717 0.407 1
1 512 . 2 1 1 A 44 44 VAL CA C 44 62.747 63.435 -0.688 1
1 513 . 2 1 1 A 44 44 VAL CB C 44 32.125 32.199 -0.074 1
1 516 . 2 1 1 A 45 45 LEU H H 45 8.513 8.947 -0.434 1
1 517 . 2 1 1 A 45 45 LEU HA H 45 4.388 4.863 -0.475 1
1 527 . 2 1 1 A 45 45 LEU C C 45 177.197 176.479 0.718 1
1 528 . 2 1 1 A 45 45 LEU CA C 45 53.682 53.824 -0.142 1
1 529 . 2 1 1 A 45 45 LEU CB C 45 42.437 42.497 -0.060 1
1 533 . 2 1 1 A 45 45 LEU N N 45 129.261 129.251 0.010 1
1 534 . 2 1 1 A 46 46 SER H H 46 8.238 8.713 -0.475 1
1 535 . 2 1 1 A 46 46 SER HA H 46 4.441 4.556 -0.115 1
1 538 . 2 1 1 A 46 46 SER C C 46 175.052 175.016 0.036 1
1 539 . 2 1 1 A 46 46 SER CA C 46 57.744 58.409 -0.665 1
1 540 . 2 1 1 A 46 46 SER CB C 46 63.682 64.415 -0.733 1
1 541 . 2 1 1 A 46 46 SER N N 46 116.459 120.444 -3.985 1
1 542 . 2 1 1 A 47 47 GLU H H 47 8.743 8.991 -0.248 1
1 543 . 2 1 1 A 47 47 GLU HA H 47 4.009 4.307 -0.298 1
1 548 . 2 1 1 A 47 47 GLU C C 47 176.054 177.158 -1.104 1
1 549 . 2 1 1 A 47 47 GLU CA C 47 59.307 58.088 1.219 1
1 550 . 2 1 1 A 47 47 GLU CB C 47 29.619 30.452 -0.833 1
1 552 . 2 1 1 A 47 47 GLU N N 47 121.669 122.978 -1.309 1
1 553 . 2 1 1 A 48 48 ALA H H 48 7.738 7.649 0.089 1
1 554 . 2 1 1 A 48 48 ALA HA H 48 4.477 4.482 -0.005 1
1 558 . 2 1 1 A 48 48 ALA C C 48 177.267 177.359 -0.092 1
1 559 . 2 1 1 A 48 48 ALA CA C 48 50.873 51.311 -0.438 1
1 560 . 2 1 1 A 48 48 ALA CB C 48 19.000 19.742 -0.742 1
1 561 . 2 1 1 A 48 48 ALA N N 48 117.799 121.716 -3.917 1
1 562 . 2 1 1 A 49 49 ALA H H 49 7.597 7.371 0.226 1
1 563 . 2 1 1 A 49 49 ALA HA H 49 4.086 4.212 -0.126 1
1 567 . 2 1 1 A 49 49 ALA C C 49 177.104 176.902 0.202 1
1 568 . 2 1 1 A 49 49 ALA CA C 49 52.748 53.245 -0.497 1
1 569 . 2 1 1 A 49 49 ALA CB C 49 19.938 19.211 0.727 1
1 570 . 2 1 1 A 49 49 ALA N N 49 122.785 121.866 0.919 1
1 571 . 2 1 1 A 50 50 GLU H H 50 8.511 8.748 -0.237 1
1 572 . 2 1 1 A 50 50 GLU HA H 50 4.140 4.681 -0.541 1
1 577 . 2 1 1 A 50 50 GLU C C 50 176.054 176.255 -0.201 1
1 578 . 2 1 1 A 50 50 GLU CA C 50 56.807 55.927 0.880 1
1 579 . 2 1 1 A 50 50 GLU CB C 50 30.557 30.449 0.108 1
1 581 . 2 1 1 A 50 50 GLU N N 50 121.303 124.560 -3.257 1
1 582 . 2 1 1 A 51 51 LEU H H 51 8.047 8.841 -0.794 1
1 583 . 2 1 1 A 51 51 LEU HA H 51 4.501 4.784 -0.283 1
1 593 . 2 1 1 A 51 51 LEU C C 51 174.656 175.902 -1.246 1
1 594 . 2 1 1 A 51 51 LEU CA C 51 53.379 53.993 -0.614 1
1 595 . 2 1 1 A 51 51 LEU CB C 51 42.121 42.513 -0.392 1
1 599 . 2 1 1 A 51 51 LEU N N 51 122.325 128.044 -5.719 1
1 600 . 2 1 1 A 52 52 ASN H H 52 7.424 8.536 -1.112 1
1 601 . 2 1 1 A 52 52 ASN HA H 52 5.067 5.130 -0.063 1
1 606 . 2 1 1 A 52 52 ASN C C 52 173.094 172.868 0.226 1
1 607 . 2 1 1 A 52 52 ASN CA C 52 52.119 52.093 0.026 1
1 608 . 2 1 1 A 52 52 ASN CB C 52 42.744 41.821 0.923 1
1 609 . 2 1 1 A 52 52 ASN N N 52 115.275 117.097 -1.822 1
1 611 . 2 1 1 A 53 53 ASP H H 53 8.495 8.806 -0.311 1
1 612 . 2 1 1 A 53 53 ASP HA H 53 4.376 4.798 -0.422 1
1 615 . 2 1 1 A 53 53 ASP C C 53 176.544 176.518 0.026 1
1 616 . 2 1 1 A 53 53 ASP CA C 53 55.869 54.158 1.711 1
1 617 . 2 1 1 A 53 53 ASP CB C 53 41.807 42.005 -0.198 1
1 618 . 2 1 1 A 53 53 ASP N N 53 118.480 120.933 -2.453 1
1 619 . 2 1 1 A 54 54 LYS H H 54 9.479 8.949 0.530 1
1 620 . 2 1 1 A 54 54 LYS HA H 54 3.713 3.957 -0.244 1
1 621 . 2 1 1 A 54 54 LYS C C 54 175.495 175.353 0.142 1
1 622 . 2 1 1 A 54 54 LYS CA C 54 57.750 57.214 0.536 1
1 623 . 2 1 1 A 54 54 LYS N N 54 119.414 124.999 -5.585 1
1 624 . 2 1 1 A 55 55 MET H H 55 7.665 8.059 -0.394 1
1 625 . 2 1 1 A 55 55 MET HA H 55 4.198 4.707 -0.509 1
1 630 . 2 1 1 A 55 55 MET C C 55 173.746 174.583 -0.837 1
1 631 . 2 1 1 A 55 55 MET CA C 55 57.119 54.859 2.260 1
1 632 . 2 1 1 A 55 55 MET CB C 55 34.932 34.801 0.131 1
1 634 . 2 1 1 A 55 55 MET N N 55 119.804 118.463 1.341 1
1 635 . 2 1 1 A 56 56 VAL H H 56 8.282 8.451 -0.169 1
1 636 . 2 1 1 A 56 56 VAL HA H 56 4.831 4.747 0.084 1
1 644 . 2 1 1 A 56 56 VAL C C 56 176.264 174.485 1.779 1
1 645 . 2 1 1 A 56 56 VAL CA C 56 61.497 61.699 -0.202 1
1 646 . 2 1 1 A 56 56 VAL CB C 56 32.437 34.230 -1.793 1
1 649 . 2 1 1 A 56 56 VAL N N 56 122.814 119.874 2.940 1
1 650 . 2 1 1 A 57 57 ILE H H 57 9.651 9.180 0.471 1
1 651 . 2 1 1 A 57 57 ILE HA H 57 4.644 4.807 -0.163 1
1 661 . 2 1 1 A 57 57 ILE C C 57 173.770 174.328 -0.558 1
1 662 . 2 1 1 A 57 57 ILE CA C 57 59.307 59.965 -0.658 1
1 663 . 2 1 1 A 57 57 ILE CB C 57 41.494 40.632 0.862 1
1 667 . 2 1 1 A 57 57 ILE N N 57 132.467 128.393 4.074 1
1 668 . 2 1 1 A 58 58 ASP H H 58 9.257 8.670 0.587 1
1 669 . 2 1 1 A 58 58 ASP HA H 58 5.173 4.859 0.314 1
1 672 . 2 1 1 A 58 58 ASP C C 58 173.886 174.804 -0.918 1
1 673 . 2 1 1 A 58 58 ASP CA C 58 53.994 52.605 1.389 1
1 674 . 2 1 1 A 58 58 ASP CB C 58 43.682 41.261 2.421 1
1 675 . 2 1 1 A 58 58 ASP N N 58 127.121 127.426 -0.305 1
1 676 . 2 1 1 A 59 59 ALA H H 59 8.424 9.005 -0.581 1
1 677 . 2 1 1 A 59 59 ALA HA H 59 5.335 5.034 0.301 1
1 681 . 2 1 1 A 59 59 ALA C C 59 175.611 175.894 -0.283 1
1 682 . 2 1 1 A 59 59 ALA CA C 59 49.935 50.704 -0.769 1
1 683 . 2 1 1 A 59 59 ALA CB C 59 20.875 20.049 0.826 1
1 684 . 2 1 1 A 59 59 ALA N N 59 125.860 129.737 -3.877 1
1 685 . 2 1 1 A 60 60 PHE H H 60 8.621 9.474 -0.853 1
1 686 . 2 1 1 A 60 60 PHE HA H 60 4.986 5.227 -0.241 1
1 693 . 2 1 1 A 60 60 PHE C C 60 174.469 174.541 -0.072 1
1 694 . 2 1 1 A 60 60 PHE CA C 60 55.872 56.712 -0.840 1
1 695 . 2 1 1 A 60 60 PHE CB C 60 41.187 41.011 0.176 1
1 696 . 2 1 1 A 60 60 PHE N N 60 119.918 126.241 -6.323 1
1 697 . 2 1 1 A 61 61 VAL H H 61 8.648 8.578 0.070 1
1 698 . 2 1 1 A 61 61 VAL HA H 61 4.458 4.435 0.023 1
1 706 . 2 1 1 A 61 61 VAL CA C 61 59.622 58.621 1.001 1
1 707 . 2 1 1 A 61 61 VAL CB C 61 32.437 33.013 -0.576 1
1 710 . 2 1 1 A 61 61 VAL N N 61 123.408 123.293 0.115 1
1 711 . 2 1 1 A 62 62 PRO HA H 62 4.395 4.469 -0.074 1
1 718 . 2 1 1 A 62 62 PRO C C 62 176.614 176.918 -0.304 1
1 719 . 2 1 1 A 62 62 PRO CA C 62 63.057 62.487 0.570 1
1 720 . 2 1 1 A 62 62 PRO CB C 62 32.119 32.333 -0.214 1
1 723 . 2 1 1 A 63 63 ALA H H 63 8.410 8.308 0.102 1
1 724 . 2 1 1 A 63 63 ALA HA H 63 4.281 4.452 -0.171 1
1 728 . 2 1 1 A 63 63 ALA C C 63 177.527 176.582 0.945 1
1 729 . 2 1 1 A 63 63 ALA CA C 63 52.435 51.683 0.752 1
1 730 . 2 1 1 A 63 63 ALA CB C 63 19.000 20.132 -1.132 1
1 731 . 2 1 1 A 63 63 ALA N N 63 124.350 123.985 0.365 1
1 732 . 2 1 1 A 64 64 ASP H H 64 8.264 8.604 -0.340 1
1 733 . 2 1 1 A 64 64 ASP HA H 64 4.571 4.659 -0.088 1
1 736 . 2 1 1 A 64 64 ASP C C 64 176.824 176.119 0.705 1
1 737 . 2 1 1 A 64 64 ASP CA C 64 53.994 54.852 -0.858 1
1 738 . 2 1 1 A 64 64 ASP CB C 64 41.182 40.670 0.512 1
1 739 . 2 1 1 A 64 64 ASP N N 64 118.930 119.145 -0.215 1
1 740 . 2 1 1 A 65 65 GLY H H 65 8.289 8.391 -0.102 1
1 741 . 2 1 1 A 65 65 GLY HA2 H 65 3.906 4.114 -0.208 1
1 742 . 2 1 1 A 65 65 GLY HA3 H 65 3.906 4.117 -0.211 1
1 743 . 2 1 1 A 65 65 GLY C C 65 174.096 173.991 0.105 1
1 744 . 2 1 1 A 65 65 GLY CA C 65 45.249 43.987 1.262 1
1 745 . 2 1 1 A 65 65 GLY N N 65 109.281 108.336 0.945 1
1 746 . 2 1 1 A 66 66 ALA H H 66 8.147 8.794 -0.647 1
1 747 . 2 1 1 A 66 66 ALA HA H 66 4.306 3.923 0.383 1
1 751 . 2 1 1 A 66 66 ALA CA C 66 52.435 53.438 -1.003 1
1 752 . 2 1 1 A 66 66 ALA CB C 66 19.000 17.774 1.226 1
1 753 . 2 1 1 A 66 66 ALA N N 66 123.586 123.133 0.453 1
1 754 . 2 1 1 A 67 67 GLY H H 67 8.414 8.141 0.273 1
1 755 . 2 1 1 A 67 67 GLY HA2 H 67 3.921 4.084 -0.163 1
1 756 . 2 1 1 A 67 67 GLY HA3 H 67 3.921 4.085 -0.164 1
1 757 . 2 1 1 A 67 67 GLY C C 67 174.306 175.116 -0.810 1
1 758 . 2 1 1 A 67 67 GLY CA C 67 45.561 45.955 -0.394 1
1 759 . 2 1 1 A 67 67 GLY N N 67 108.025 104.582 3.443 1
1 760 . 2 1 1 A 68 68 LEU H H 68 7.994 7.768 0.226 1
1 761 . 2 1 1 A 68 68 LEU HA H 68 4.265 3.921 0.344 1
1 771 . 2 1 1 A 68 68 LEU C C 68 177.430 179.261 -1.831 1
1 772 . 2 1 1 A 68 68 LEU CA C 68 54.935 58.251 -3.316 1
1 773 . 2 1 1 A 68 68 LEU CB C 68 42.124 41.836 0.288 1
1 777 . 2 1 1 A 68 68 LEU N N 68 121.101 120.824 0.277 1
1 16 . 3 1 1 A 2 2 LEU H H 2 9.099 8.561 0.538 1
1 17 . 3 1 1 A 2 2 LEU HA H 2 5.183 5.078 0.105 1
1 26 . 3 1 1 A 2 2 LEU C C 2 176.031 174.774 1.257 1
1 27 . 3 1 1 A 2 2 LEU CA C 2 53.682 53.715 -0.033 1
1 28 . 3 1 1 A 2 2 LEU CB C 2 43.994 44.345 -0.351 1
1 31 . 3 1 1 A 2 2 LEU N N 2 125.441 123.581 1.860 1
1 32 . 3 1 1 A 3 3 VAL H H 3 9.070 8.752 0.318 1
1 33 . 3 1 1 A 3 3 VAL HA H 3 4.720 4.564 0.156 1
1 41 . 3 1 1 A 3 3 VAL C C 3 173.653 174.860 -1.207 1
1 42 . 3 1 1 A 3 3 VAL CA C 3 59.935 61.546 -1.611 1
1 43 . 3 1 1 A 3 3 VAL CB C 3 34.312 34.786 -0.474 1
1 46 . 3 1 1 A 3 3 VAL N N 3 123.079 126.105 -3.026 1
1 47 . 3 1 1 A 4 4 ILE H H 4 8.552 9.509 -0.957 1
1 48 . 3 1 1 A 4 4 ILE HA H 4 4.530 4.559 -0.029 1
1 58 . 3 1 1 A 4 4 ILE C C 4 174.344 175.540 -1.196 1
1 59 . 3 1 1 A 4 4 ILE CA C 4 59.313 61.184 -1.871 1
1 60 . 3 1 1 A 4 4 ILE CB C 4 38.999 36.820 2.179 1
1 64 . 3 1 1 A 4 4 ILE N N 4 124.929 128.625 -3.696 1
1 65 . 3 1 1 A 5 5 VAL H H 5 8.911 8.701 0.210 1
1 66 . 3 1 1 A 5 5 VAL HA H 5 4.968 4.469 0.499 1
1 74 . 3 1 1 A 5 5 VAL C C 5 174.722 175.392 -0.670 1
1 75 . 3 1 1 A 5 5 VAL CA C 5 60.247 62.118 -1.871 1
1 76 . 3 1 1 A 5 5 VAL CB C 5 33.369 32.195 1.174 1
1 79 . 3 1 1 A 5 5 VAL N N 5 127.032 128.600 -1.568 1
1 80 . 3 1 1 A 6 6 ARG H H 6 9.417 8.749 0.668 1
1 81 . 3 1 1 A 6 6 ARG HA H 6 4.945 4.696 0.249 1
1 89 . 3 1 1 A 6 6 ARG C C 6 174.662 175.602 -0.940 1
1 90 . 3 1 1 A 6 6 ARG CA C 6 55.557 55.679 -0.122 1
1 91 . 3 1 1 A 6 6 ARG CB C 6 30.557 31.405 -0.848 1
1 94 . 3 1 1 A 6 6 ARG N N 6 127.895 127.595 0.300 1
1 96 . 3 1 1 A 7 7 LEU H H 7 8.368 8.740 -0.372 1
1 97 . 3 1 1 A 7 7 LEU HA H 7 4.761 4.377 0.384 1
1 107 . 3 1 1 A 7 7 LEU C C 7 175.869 177.960 -2.091 1
1 108 . 3 1 1 A 7 7 LEU CA C 7 53.682 54.117 -0.435 1
1 109 . 3 1 1 A 7 7 LEU CB C 7 43.994 41.984 2.010 1
1 112 . 3 1 1 A 7 7 LEU N N 7 127.357 126.535 0.822 1
1 113 . 3 1 1 A 8 8 GLN H H 8 9.244 8.748 0.496 1
1 114 . 3 1 1 A 8 8 GLN HA H 8 3.825 3.971 -0.146 1
1 119 . 3 1 1 A 8 8 GLN C C 8 175.478 176.347 -0.869 1
1 120 . 3 1 1 A 8 8 GLN CA C 8 58.372 59.580 -1.208 1
1 121 . 3 1 1 A 8 8 GLN CB C 8 27.125 28.857 -1.732 1
1 123 . 3 1 1 A 8 8 GLN N N 8 123.025 123.190 -0.165 1
1 124 . 3 1 1 A 9 9 ASP H H 9 8.622 7.847 0.775 1
1 125 . 3 1 1 A 9 9 ASP HA H 9 4.609 4.833 -0.224 1
1 128 . 3 1 1 A 9 9 ASP C C 9 175.352 175.689 -0.337 1
1 129 . 3 1 1 A 9 9 ASP CA C 9 54.619 53.016 1.603 1
1 130 . 3 1 1 A 9 9 ASP CB C 9 40.576 41.092 -0.516 1
1 131 . 3 1 1 A 9 9 ASP N N 9 117.207 115.035 2.172 1
1 132 . 3 1 1 A 10 10 GLN H H 10 7.972 7.586 0.386 1
1 133 . 3 1 1 A 10 10 GLN HA H 10 4.644 4.940 -0.296 1
1 138 . 3 1 1 A 10 10 GLN C C 10 174.812 174.621 0.191 1
1 139 . 3 1 1 A 10 10 GLN CA C 10 54.932 54.407 0.525 1
1 140 . 3 1 1 A 10 10 GLN CB C 10 31.807 33.671 -1.864 1
1 142 . 3 1 1 A 10 10 GLN N N 10 118.451 119.210 -0.759 1
1 143 . 3 1 1 A 11 11 THR H H 11 8.593 8.502 0.091 1
1 144 . 3 1 1 A 11 11 THR HA H 11 4.874 5.132 -0.258 1
1 149 . 3 1 1 A 11 11 THR C C 11 173.521 173.330 0.191 1
1 150 . 3 1 1 A 11 11 THR CA C 11 61.810 61.452 0.358 1
1 151 . 3 1 1 A 11 11 THR CB C 11 69.934 71.426 -1.492 1
1 153 . 3 1 1 A 11 11 THR N N 11 118.464 116.227 2.237 1
1 154 . 3 1 1 A 12 12 LEU H H 12 9.554 8.564 0.990 1
1 155 . 3 1 1 A 12 12 LEU HA H 12 4.872 4.753 0.119 1
1 164 . 3 1 1 A 12 12 LEU CA C 12 51.494 51.175 0.319 1
1 165 . 3 1 1 A 12 12 LEU CB C 12 44.932 45.773 -0.841 1
1 168 . 3 1 1 A 12 12 LEU N N 12 128.567 125.901 2.666 1
1 169 . 3 1 1 A 13 13 PRO HA H 13 5.141 4.845 0.296 1
1 176 . 3 1 1 A 13 13 PRO C C 13 176.800 175.392 1.408 1
1 177 . 3 1 1 A 13 13 PRO CA C 13 60.869 62.447 -1.578 1
1 178 . 3 1 1 A 13 13 PRO CB C 13 32.119 33.199 -1.080 1
1 181 . 3 1 1 A 14 14 PHE H H 14 9.302 8.555 0.747 1
1 182 . 3 1 1 A 14 14 PHE HA H 14 4.622 5.155 -0.533 1
1 189 . 3 1 1 A 14 14 PHE C C 14 173.677 174.207 -0.530 1
1 190 . 3 1 1 A 14 14 PHE CA C 14 57.747 56.202 1.545 1
1 191 . 3 1 1 A 14 14 PHE CB C 14 42.749 42.297 0.452 1
1 192 . 3 1 1 A 14 14 PHE N N 14 121.778 120.185 1.593 1
1 193 . 3 1 1 A 15 15 GLU H H 15 8.516 8.815 -0.299 1
1 194 . 3 1 1 A 15 15 GLU HA H 15 5.260 4.754 0.506 1
1 199 . 3 1 1 A 15 15 GLU C C 15 175.821 175.549 0.272 1
1 200 . 3 1 1 A 15 15 GLU CA C 15 54.932 56.041 -1.109 1
1 201 . 3 1 1 A 15 15 GLU CB C 15 30.244 31.311 -1.067 1
1 203 . 3 1 1 A 15 15 GLU N N 15 123.002 124.132 -1.130 1
1 204 . 3 1 1 A 16 16 LEU H H 16 8.937 8.603 0.334 1
1 205 . 3 1 1 A 16 16 LEU HA H 16 4.952 4.828 0.124 1
1 215 . 3 1 1 A 16 16 LEU CA C 16 51.494 51.694 -0.200 1
1 216 . 3 1 1 A 16 16 LEU CB C 16 44.941 44.373 0.568 1
1 220 . 3 1 1 A 16 16 LEU N N 16 126.803 129.196 -2.393 1
1 221 . 3 1 1 A 17 17 PRO HA H 17 4.547 4.613 -0.066 1
1 228 . 3 1 1 A 17 17 PRO C C 17 175.472 176.261 -0.789 1
1 229 . 3 1 1 A 17 17 PRO CA C 17 62.119 62.297 -0.178 1
1 230 . 3 1 1 A 17 17 PRO CB C 17 32.119 32.642 -0.523 1
1 233 . 3 1 1 A 18 18 ALA H H 18 7.892 8.247 -0.355 1
1 234 . 3 1 1 A 18 18 ALA HA H 18 4.065 3.964 0.101 1
1 238 . 3 1 1 A 18 18 ALA C C 18 178.735 178.677 0.058 1
1 239 . 3 1 1 A 18 18 ALA CA C 18 53.060 53.830 -0.770 1
1 240 . 3 1 1 A 18 18 ALA CB C 18 18.063 18.536 -0.473 1
1 241 . 3 1 1 A 18 18 ALA N N 18 121.997 124.982 -2.985 1
1 242 . 3 1 1 A 19 19 GLY H H 19 8.519 8.886 -0.367 1
1 243 . 3 1 1 A 19 19 GLY HA2 H 19 3.754 3.845 -0.091 1
1 244 . 3 1 1 A 19 19 GLY HA3 H 19 4.066 3.846 0.220 1
1 245 . 3 1 1 A 19 19 GLY C C 19 174.376 174.726 -0.350 1
1 246 . 3 1 1 A 19 19 GLY CA C 19 44.625 46.932 -2.307 1
1 247 . 3 1 1 A 19 19 GLY N N 19 110.335 110.682 -0.347 1
1 248 . 3 1 1 A 20 20 ALA H H 20 7.459 7.647 -0.188 1
1 249 . 3 1 1 A 20 20 ALA HA H 20 4.210 4.296 -0.086 1
1 253 . 3 1 1 A 20 20 ALA C C 20 176.171 176.510 -0.339 1
1 254 . 3 1 1 A 20 20 ALA CA C 20 52.751 52.520 0.231 1
1 255 . 3 1 1 A 20 20 ALA CB C 20 20.563 20.098 0.465 1
1 256 . 3 1 1 A 20 20 ALA N N 20 121.746 123.325 -1.579 1
1 257 . 3 1 1 A 21 21 ARG H H 21 8.148 8.528 -0.380 1
1 258 . 3 1 1 A 21 21 ARG HA H 21 5.132 4.746 0.386 1
1 265 . 3 1 1 A 21 21 ARG C C 21 178.292 176.577 1.715 1
1 266 . 3 1 1 A 21 21 ARG CA C 21 53.369 53.771 -0.402 1
1 267 . 3 1 1 A 21 21 ARG CB C 21 32.921 33.385 -0.464 1
1 270 . 3 1 1 A 21 21 ARG N N 21 118.121 119.376 -1.255 1
1 271 . 3 1 1 A 22 22 ALA H H 22 8.867 8.725 0.142 1
1 272 . 3 1 1 A 22 22 ALA HA H 22 3.799 4.026 -0.227 1
1 276 . 3 1 1 A 22 22 ALA C C 22 178.735 179.506 -0.771 1
1 277 . 3 1 1 A 22 22 ALA CA C 22 55.872 55.731 0.141 1
1 278 . 3 1 1 A 22 22 ALA CB C 22 18.375 18.184 0.191 1
1 279 . 3 1 1 A 22 22 ALA N N 22 123.186 123.893 -0.707 1
1 280 . 3 1 1 A 23 23 SER H H 23 8.383 8.235 0.148 1
1 281 . 3 1 1 A 23 23 SER HA H 23 4.205 4.018 0.187 1
1 284 . 3 1 1 A 23 23 SER C C 23 176.754 177.092 -0.338 1
1 285 . 3 1 1 A 23 23 SER CA C 23 60.557 61.472 -0.915 1
1 286 . 3 1 1 A 23 23 SER CB C 23 61.807 62.953 -1.146 1
1 287 . 3 1 1 A 23 23 SER N N 23 111.612 112.832 -1.220 1
1 288 . 3 1 1 A 24 24 GLN H H 24 7.744 8.220 -0.476 1
1 289 . 3 1 1 A 24 24 GLN HA H 24 4.173 3.968 0.205 1
1 294 . 3 1 1 A 24 24 GLN C C 24 178.689 177.667 1.022 1
1 295 . 3 1 1 A 24 24 GLN CA C 24 58.682 59.006 -0.324 1
1 296 . 3 1 1 A 24 24 GLN CB C 24 28.682 28.622 0.060 1
1 298 . 3 1 1 A 24 24 GLN N N 24 121.537 120.843 0.694 1
1 299 . 3 1 1 A 25 25 LEU H H 25 7.199 7.951 -0.752 1
1 300 . 3 1 1 A 25 25 LEU HA H 25 3.970 4.047 -0.077 1
1 310 . 3 1 1 A 25 25 LEU C C 25 177.966 178.519 -0.553 1
1 311 . 3 1 1 A 25 25 LEU CA C 25 56.810 58.045 -1.235 1
1 312 . 3 1 1 A 25 25 LEU CB C 25 41.494 41.322 0.172 1
1 316 . 3 1 1 A 25 25 LEU N N 25 119.709 121.259 -1.550 1
1 317 . 3 1 1 A 26 26 SER H H 26 8.650 8.312 0.338 1
1 318 . 3 1 1 A 26 26 SER HA H 26 3.970 3.983 -0.013 1
1 321 . 3 1 1 A 26 26 SER C C 26 176.917 176.090 0.827 1
1 322 . 3 1 1 A 26 26 SER CA C 26 62.744 62.142 0.602 1
1 323 . 3 1 1 A 26 26 SER CB C 26 62.119 62.939 -0.820 1
1 324 . 3 1 1 A 26 26 SER N N 26 114.988 116.140 -1.152 1
1 325 . 3 1 1 A 27 27 ASN H H 27 7.876 7.816 0.060 1
1 326 . 3 1 1 A 27 27 ASN HA H 27 4.517 4.465 0.052 1
1 329 . 3 1 1 A 27 27 ASN C C 27 177.197 177.688 -0.491 1
1 330 . 3 1 1 A 27 27 ASN CA C 27 55.869 56.723 -0.854 1
1 331 . 3 1 1 A 27 27 ASN CB C 27 38.369 38.911 -0.542 1
1 332 . 3 1 1 A 27 27 ASN N N 27 118.197 119.953 -1.756 1
1 333 . 3 1 1 A 28 28 LEU H H 28 7.433 8.086 -0.653 1
1 334 . 3 1 1 A 28 28 LEU HA H 28 4.219 3.971 0.248 1
1 344 . 3 1 1 A 28 28 LEU C C 28 179.411 178.948 0.463 1
1 345 . 3 1 1 A 28 28 LEU CA C 28 57.122 58.002 -0.880 1
1 346 . 3 1 1 A 28 28 LEU CB C 28 41.984 42.048 -0.064 1
1 350 . 3 1 1 A 28 28 LEU N N 28 120.223 120.140 0.083 1
1 351 . 3 1 1 A 29 29 LEU H H 29 7.866 7.966 -0.100 1
1 352 . 3 1 1 A 29 29 LEU HA H 29 4.091 4.029 0.062 1
1 362 . 3 1 1 A 29 29 LEU C C 29 178.386 178.826 -0.440 1
1 363 . 3 1 1 A 29 29 LEU CA C 29 56.497 57.830 -1.333 1
1 364 . 3 1 1 A 29 29 LEU CB C 29 42.124 41.417 0.707 1
1 368 . 3 1 1 A 29 29 LEU N N 29 119.017 117.829 1.188 1
1 369 . 3 1 1 A 30 30 SER H H 30 8.117 8.064 0.053 1
1 370 . 3 1 1 A 30 30 SER HA H 30 4.615 3.997 0.618 1
1 373 . 3 1 1 A 30 30 SER C C 30 175.145 177.106 -1.961 1
1 374 . 3 1 1 A 30 30 SER CA C 30 59.932 61.589 -1.657 1
1 375 . 3 1 1 A 30 30 SER CB C 30 63.057 62.808 0.249 1
1 376 . 3 1 1 A 30 30 SER N N 30 114.044 114.718 -0.674 1
1 377 . 3 1 1 A 31 31 SER H H 31 8.084 8.198 -0.114 1
1 378 . 3 1 1 A 31 31 SER HA H 31 4.535 4.188 0.347 1
1 381 . 3 1 1 A 31 31 SER CA C 31 58.994 61.264 -2.270 1
1 382 . 3 1 1 A 31 31 SER CB C 31 63.682 63.185 0.497 1
1 383 . 3 1 1 A 31 31 SER N N 31 115.938 115.966 -0.028 1
1 384 . 3 1 1 A 32 32 SER HA H 32 4.547 4.561 -0.014 1
1 387 . 3 1 1 A 32 32 SER CA C 32 58.682 58.921 -0.239 1
1 388 . 3 1 1 A 32 32 SER CB C 32 63.369 64.676 -1.307 1
1 389 . 3 1 1 A 33 33 GLY H H 33 8.080 8.369 -0.289 1
1 390 . 3 1 1 A 33 33 GLY HA2 H 33 3.786 3.842 -0.056 1
1 391 . 3 1 1 A 33 33 GLY HA3 H 33 4.160 3.854 0.306 1
1 392 . 3 1 1 A 33 33 GLY C C 33 173.746 173.452 0.294 1
1 393 . 3 1 1 A 33 33 GLY CA C 33 45.561 45.416 0.145 1
1 394 . 3 1 1 A 33 33 GLY N N 33 109.530 111.922 -2.392 1
1 395 . 3 1 1 A 34 34 MET H H 34 7.781 7.533 0.248 1
1 396 . 3 1 1 A 34 34 MET HA H 34 4.371 5.141 -0.770 1
1 401 . 3 1 1 A 34 34 MET C C 34 174.073 174.506 -0.433 1
1 402 . 3 1 1 A 34 34 MET CA C 34 54.619 54.047 0.572 1
1 403 . 3 1 1 A 34 34 MET CB C 34 33.994 38.283 -4.289 1
1 405 . 3 1 1 A 34 34 MET N N 34 119.527 118.900 0.627 1
1 406 . 3 1 1 A 35 35 ALA H H 35 7.956 8.466 -0.510 1
1 407 . 3 1 1 A 35 35 ALA HA H 35 4.374 4.584 -0.210 1
1 411 . 3 1 1 A 35 35 ALA C C 35 175.915 175.443 0.472 1
1 412 . 3 1 1 A 35 35 ALA CA C 35 51.185 51.773 -0.588 1
1 413 . 3 1 1 A 35 35 ALA CB C 35 19.000 19.072 -0.072 1
1 414 . 3 1 1 A 35 35 ALA N N 35 125.314 121.373 3.941 1
1 415 . 3 1 1 A 36 36 PHE H H 36 7.838 7.843 -0.005 1
1 416 . 3 1 1 A 36 36 PHE HA H 36 4.858 5.311 -0.453 1
1 424 . 3 1 1 A 36 36 PHE C C 36 175.868 173.845 2.023 1
1 425 . 3 1 1 A 36 36 PHE CA C 36 57.122 54.784 2.338 1
1 426 . 3 1 1 A 36 36 PHE CB C 36 41.812 41.678 0.134 1
1 427 . 3 1 1 A 36 36 PHE N N 36 117.347 120.270 -2.923 1
1 428 . 3 1 1 A 37 37 SER H H 37 8.943 8.223 0.720 1
1 429 . 3 1 1 A 37 37 SER HA H 37 4.623 4.740 -0.117 1
1 432 . 3 1 1 A 37 37 SER C C 37 173.490 174.332 -0.842 1
1 433 . 3 1 1 A 37 37 SER CA C 37 57.432 59.310 -1.878 1
1 434 . 3 1 1 A 37 37 SER CB C 37 63.994 63.912 0.082 1
1 435 . 3 1 1 A 37 37 SER N N 37 117.034 116.594 0.440 1
1 436 . 3 1 1 A 38 38 LEU H H 38 8.787 8.767 0.020 1
1 437 . 3 1 1 A 38 38 LEU HA H 38 5.072 4.822 0.250 1
1 447 . 3 1 1 A 38 38 LEU C C 38 175.467 175.597 -0.130 1
1 448 . 3 1 1 A 38 38 LEU CA C 38 53.994 54.108 -0.114 1
1 449 . 3 1 1 A 38 38 LEU CB C 38 43.057 43.538 -0.481 1
1 453 . 3 1 1 A 38 38 LEU N N 38 124.534 126.300 -1.766 1
1 454 . 3 1 1 A 39 39 HIS H H 39 9.132 8.563 0.569 1
1 455 . 3 1 1 A 39 39 HIS HA H 39 5.434 5.567 -0.133 1
1 458 . 3 1 1 A 39 39 HIS C C 39 174.656 172.410 2.246 1
1 459 . 3 1 1 A 39 39 HIS CA C 39 53.994 53.749 0.245 1
1 460 . 3 1 1 A 39 39 HIS CB C 39 35.869 33.083 2.786 1
1 461 . 3 1 1 A 39 39 HIS N N 39 121.803 120.106 1.697 1
1 462 . 3 1 1 A 40 40 THR H H 40 9.101 8.661 0.440 1
1 463 . 3 1 1 A 40 40 THR HA H 40 4.947 4.817 0.130 1
1 468 . 3 1 1 A 40 40 THR C C 40 173.373 173.825 -0.452 1
1 469 . 3 1 1 A 40 40 THR CA C 40 60.872 59.959 0.913 1
1 470 . 3 1 1 A 40 40 THR CB C 40 69.934 71.638 -1.704 1
1 472 . 3 1 1 A 40 40 THR N N 40 114.826 110.734 4.092 1
1 473 . 3 1 1 A 41 41 GLN H H 41 9.462 9.421 0.041 1
1 474 . 3 1 1 A 41 41 GLN HA H 41 3.967 4.038 -0.071 1
1 479 . 3 1 1 A 41 41 GLN C C 41 176.031 175.386 0.645 1
1 480 . 3 1 1 A 41 41 GLN CA C 41 56.809 57.029 -0.220 1
1 481 . 3 1 1 A 41 41 GLN CB C 41 27.119 27.196 -0.077 1
1 483 . 3 1 1 A 41 41 GLN N N 41 125.458 122.538 2.920 1
1 484 . 3 1 1 A 42 42 GLY H H 42 9.114 8.459 0.655 1
1 485 . 3 1 1 A 42 42 GLY HA2 H 42 3.681 3.587 0.094 1
1 486 . 3 1 1 A 42 42 GLY HA3 H 42 4.177 3.751 0.426 1
1 487 . 3 1 1 A 42 42 GLY C C 42 173.977 173.901 0.076 1
1 488 . 3 1 1 A 42 42 GLY CA C 42 45.557 44.986 0.571 1
1 489 . 3 1 1 A 42 42 GLY N N 42 105.029 104.826 0.203 1
1 490 . 3 1 1 A 43 43 ARG H H 43 8.140 7.778 0.362 1
1 491 . 3 1 1 A 43 43 ARG HA H 43 4.725 4.438 0.287 1
1 498 . 3 1 1 A 43 43 ARG CA C 43 53.994 55.520 -1.526 1
1 499 . 3 1 1 A 43 43 ARG CB C 43 32.744 31.190 1.554 1
1 502 . 3 1 1 A 43 43 ARG N N 43 121.025 119.827 1.198 1
1 503 . 3 1 1 A 44 44 VAL HA H 44 3.819 4.257 -0.438 1
1 511 . 3 1 1 A 44 44 VAL C C 44 176.124 175.815 0.309 1
1 512 . 3 1 1 A 44 44 VAL CA C 44 62.747 62.868 -0.121 1
1 513 . 3 1 1 A 44 44 VAL CB C 44 32.125 32.278 -0.153 1
1 516 . 3 1 1 A 45 45 LEU H H 45 8.513 8.698 -0.185 1
1 517 . 3 1 1 A 45 45 LEU HA H 45 4.388 4.978 -0.590 1
1 527 . 3 1 1 A 45 45 LEU C C 45 177.197 176.428 0.769 1
1 528 . 3 1 1 A 45 45 LEU CA C 45 53.682 53.619 0.063 1
1 529 . 3 1 1 A 45 45 LEU CB C 45 42.437 42.717 -0.280 1
1 533 . 3 1 1 A 45 45 LEU N N 45 129.261 127.347 1.914 1
1 534 . 3 1 1 A 46 46 SER H H 46 8.238 8.737 -0.499 1
1 535 . 3 1 1 A 46 46 SER HA H 46 4.441 4.554 -0.113 1
1 538 . 3 1 1 A 46 46 SER C C 46 175.052 174.990 0.062 1
1 539 . 3 1 1 A 46 46 SER CA C 46 57.744 58.453 -0.709 1
1 540 . 3 1 1 A 46 46 SER CB C 46 63.682 64.398 -0.716 1
1 541 . 3 1 1 A 46 46 SER N N 46 116.459 120.450 -3.991 1
1 542 . 3 1 1 A 47 47 GLU H H 47 8.743 8.963 -0.220 1
1 543 . 3 1 1 A 47 47 GLU HA H 47 4.009 4.289 -0.280 1
1 548 . 3 1 1 A 47 47 GLU C C 47 176.054 177.232 -1.178 1
1 549 . 3 1 1 A 47 47 GLU CA C 47 59.307 58.299 1.008 1
1 550 . 3 1 1 A 47 47 GLU CB C 47 29.619 30.378 -0.759 1
1 552 . 3 1 1 A 47 47 GLU N N 47 121.669 123.305 -1.636 1
1 553 . 3 1 1 A 48 48 ALA H H 48 7.738 7.669 0.069 1
1 554 . 3 1 1 A 48 48 ALA HA H 48 4.477 4.455 0.022 1
1 558 . 3 1 1 A 48 48 ALA C C 48 177.267 177.234 0.033 1
1 559 . 3 1 1 A 48 48 ALA CA C 48 50.873 51.254 -0.381 1
1 560 . 3 1 1 A 48 48 ALA CB C 48 19.000 19.356 -0.356 1
1 561 . 3 1 1 A 48 48 ALA N N 48 117.799 121.329 -3.530 1
1 562 . 3 1 1 A 49 49 ALA H H 49 7.597 7.290 0.307 1
1 563 . 3 1 1 A 49 49 ALA HA H 49 4.086 4.244 -0.158 1
1 567 . 3 1 1 A 49 49 ALA C C 49 177.104 176.833 0.271 1
1 568 . 3 1 1 A 49 49 ALA CA C 49 52.748 53.211 -0.463 1
1 569 . 3 1 1 A 49 49 ALA CB C 49 19.938 19.151 0.787 1
1 570 . 3 1 1 A 49 49 ALA N N 49 122.785 121.593 1.192 1
1 571 . 3 1 1 A 50 50 GLU H H 50 8.511 8.735 -0.224 1
1 572 . 3 1 1 A 50 50 GLU HA H 50 4.140 4.824 -0.684 1
1 577 . 3 1 1 A 50 50 GLU C C 50 176.054 175.663 0.391 1
1 578 . 3 1 1 A 50 50 GLU CA C 50 56.807 55.651 1.156 1
1 579 . 3 1 1 A 50 50 GLU CB C 50 30.557 31.165 -0.608 1
1 581 . 3 1 1 A 50 50 GLU N N 50 121.303 124.500 -3.197 1
1 582 . 3 1 1 A 51 51 LEU H H 51 8.047 9.090 -1.043 1
1 583 . 3 1 1 A 51 51 LEU HA H 51 4.501 4.960 -0.459 1
1 593 . 3 1 1 A 51 51 LEU C C 51 174.656 175.732 -1.076 1
1 594 . 3 1 1 A 51 51 LEU CA C 51 53.379 53.517 -0.138 1
1 595 . 3 1 1 A 51 51 LEU CB C 51 42.121 43.279 -1.158 1
1 599 . 3 1 1 A 51 51 LEU N N 51 122.325 128.041 -5.716 1
1 600 . 3 1 1 A 52 52 ASN H H 52 7.424 8.591 -1.167 1
1 601 . 3 1 1 A 52 52 ASN HA H 52 5.067 5.153 -0.086 1
1 606 . 3 1 1 A 52 52 ASN C C 52 173.094 172.726 0.368 1
1 607 . 3 1 1 A 52 52 ASN CA C 52 52.119 52.005 0.114 1
1 608 . 3 1 1 A 52 52 ASN CB C 52 42.744 41.706 1.038 1
1 609 . 3 1 1 A 52 52 ASN N N 52 115.275 117.004 -1.729 1
1 611 . 3 1 1 A 53 53 ASP H H 53 8.495 8.708 -0.213 1
1 612 . 3 1 1 A 53 53 ASP HA H 53 4.376 4.747 -0.371 1
1 615 . 3 1 1 A 53 53 ASP C C 53 176.544 176.694 -0.150 1
1 616 . 3 1 1 A 53 53 ASP CA C 53 55.869 54.148 1.721 1
1 617 . 3 1 1 A 53 53 ASP CB C 53 41.807 41.831 -0.024 1
1 618 . 3 1 1 A 53 53 ASP N N 53 118.480 121.176 -2.696 1
1 619 . 3 1 1 A 54 54 LYS H H 54 9.479 8.890 0.589 1
1 620 . 3 1 1 A 54 54 LYS HA H 54 3.713 3.933 -0.220 1
1 621 . 3 1 1 A 54 54 LYS C C 54 175.495 175.579 -0.084 1
1 622 . 3 1 1 A 54 54 LYS CA C 54 57.750 57.164 0.586 1
1 623 . 3 1 1 A 54 54 LYS N N 54 119.414 124.957 -5.543 1
1 624 . 3 1 1 A 55 55 MET H H 55 7.665 8.112 -0.447 1
1 625 . 3 1 1 A 55 55 MET HA H 55 4.198 4.709 -0.511 1
1 630 . 3 1 1 A 55 55 MET C C 55 173.746 174.620 -0.874 1
1 631 . 3 1 1 A 55 55 MET CA C 55 57.119 55.105 2.014 1
1 632 . 3 1 1 A 55 55 MET CB C 55 34.932 34.384 0.548 1
1 634 . 3 1 1 A 55 55 MET N N 55 119.804 118.879 0.925 1
1 635 . 3 1 1 A 56 56 VAL H H 56 8.282 8.453 -0.171 1
1 636 . 3 1 1 A 56 56 VAL HA H 56 4.831 4.724 0.107 1
1 644 . 3 1 1 A 56 56 VAL C C 56 176.264 175.056 1.208 1
1 645 . 3 1 1 A 56 56 VAL CA C 56 61.497 61.712 -0.215 1
1 646 . 3 1 1 A 56 56 VAL CB C 56 32.437 34.103 -1.666 1
1 649 . 3 1 1 A 56 56 VAL N N 56 122.814 120.263 2.551 1
1 650 . 3 1 1 A 57 57 ILE H H 57 9.651 9.166 0.485 1
1 651 . 3 1 1 A 57 57 ILE HA H 57 4.644 4.547 0.097 1
1 661 . 3 1 1 A 57 57 ILE C C 57 173.770 175.032 -1.262 1
1 662 . 3 1 1 A 57 57 ILE CA C 57 59.307 60.445 -1.138 1
1 663 . 3 1 1 A 57 57 ILE CB C 57 41.494 38.937 2.557 1
1 667 . 3 1 1 A 57 57 ILE N N 57 132.467 128.550 3.917 1
1 668 . 3 1 1 A 58 58 ASP H H 58 9.257 8.720 0.537 1
1 669 . 3 1 1 A 58 58 ASP HA H 58 5.173 5.220 -0.047 1
1 672 . 3 1 1 A 58 58 ASP C C 58 173.886 174.598 -0.712 1
1 673 . 3 1 1 A 58 58 ASP CA C 58 53.994 52.900 1.094 1
1 674 . 3 1 1 A 58 58 ASP CB C 58 43.682 41.817 1.865 1
1 675 . 3 1 1 A 58 58 ASP N N 58 127.121 127.237 -0.116 1
1 676 . 3 1 1 A 59 59 ALA H H 59 8.424 9.202 -0.778 1
1 677 . 3 1 1 A 59 59 ALA HA H 59 5.335 5.441 -0.106 1
1 681 . 3 1 1 A 59 59 ALA C C 59 175.611 176.034 -0.423 1
1 682 . 3 1 1 A 59 59 ALA CA C 59 49.935 50.378 -0.443 1
1 683 . 3 1 1 A 59 59 ALA CB C 59 20.875 21.184 -0.309 1
1 684 . 3 1 1 A 59 59 ALA N N 59 125.860 127.556 -1.696 1
1 685 . 3 1 1 A 60 60 PHE H H 60 8.621 9.260 -0.639 1
1 686 . 3 1 1 A 60 60 PHE HA H 60 4.986 5.217 -0.231 1
1 693 . 3 1 1 A 60 60 PHE C C 60 174.469 173.808 0.661 1
1 694 . 3 1 1 A 60 60 PHE CA C 60 55.872 56.204 -0.332 1
1 695 . 3 1 1 A 60 60 PHE CB C 60 41.187 42.301 -1.114 1
1 696 . 3 1 1 A 60 60 PHE N N 60 119.918 122.843 -2.925 1
1 697 . 3 1 1 A 61 61 VAL H H 61 8.648 8.664 -0.016 1
1 698 . 3 1 1 A 61 61 VAL HA H 61 4.458 4.441 0.017 1
1 706 . 3 1 1 A 61 61 VAL CA C 61 59.622 58.386 1.236 1
1 707 . 3 1 1 A 61 61 VAL CB C 61 32.437 33.011 -0.574 1
1 710 . 3 1 1 A 61 61 VAL N N 61 123.408 121.480 1.928 1
1 711 . 3 1 1 A 62 62 PRO HA H 62 4.395 4.498 -0.103 1
1 718 . 3 1 1 A 62 62 PRO C C 62 176.614 176.994 -0.380 1
1 719 . 3 1 1 A 62 62 PRO CA C 62 63.057 62.507 0.550 1
1 720 . 3 1 1 A 62 62 PRO CB C 62 32.119 32.271 -0.152 1
1 723 . 3 1 1 A 63 63 ALA H H 63 8.410 8.308 0.102 1
1 724 . 3 1 1 A 63 63 ALA HA H 63 4.281 4.455 -0.174 1
1 728 . 3 1 1 A 63 63 ALA C C 63 177.527 177.073 0.454 1
1 729 . 3 1 1 A 63 63 ALA CA C 63 52.435 51.397 1.038 1
1 730 . 3 1 1 A 63 63 ALA CB C 63 19.000 20.302 -1.302 1
1 731 . 3 1 1 A 63 63 ALA N N 63 124.350 123.722 0.628 1
1 732 . 3 1 1 A 64 64 ASP H H 64 8.264 8.535 -0.271 1
1 733 . 3 1 1 A 64 64 ASP HA H 64 4.571 4.548 0.023 1
1 736 . 3 1 1 A 64 64 ASP C C 64 176.824 176.434 0.390 1
1 737 . 3 1 1 A 64 64 ASP CA C 64 53.994 55.950 -1.956 1
1 738 . 3 1 1 A 64 64 ASP CB C 64 41.182 40.554 0.628 1
1 739 . 3 1 1 A 64 64 ASP N N 64 118.930 118.838 0.092 1
1 740 . 3 1 1 A 65 65 GLY H H 65 8.289 8.352 -0.063 1
1 741 . 3 1 1 A 65 65 GLY HA2 H 65 3.906 4.218 -0.312 1
1 742 . 3 1 1 A 65 65 GLY HA3 H 65 3.906 4.221 -0.315 1
1 743 . 3 1 1 A 65 65 GLY C C 65 174.096 172.003 2.093 1
1 744 . 3 1 1 A 65 65 GLY CA C 65 45.249 46.124 -0.875 1
1 745 . 3 1 1 A 65 65 GLY N N 65 109.281 111.099 -1.818 1
1 746 . 3 1 1 A 66 66 ALA H H 66 8.147 8.592 -0.445 1
1 747 . 3 1 1 A 66 66 ALA HA H 66 4.306 5.063 -0.757 1
1 751 . 3 1 1 A 66 66 ALA CA C 66 52.435 51.108 1.327 1
1 752 . 3 1 1 A 66 66 ALA CB C 66 19.000 21.779 -2.779 1
1 753 . 3 1 1 A 66 66 ALA N N 66 123.586 125.496 -1.910 1
1 754 . 3 1 1 A 67 67 GLY H H 67 8.414 8.639 -0.225 1
1 755 . 3 1 1 A 67 67 GLY HA2 H 67 3.921 4.137 -0.216 1
1 756 . 3 1 1 A 67 67 GLY HA3 H 67 3.921 4.138 -0.217 1
1 757 . 3 1 1 A 67 67 GLY C C 67 174.306 174.901 -0.595 1
1 758 . 3 1 1 A 67 67 GLY CA C 67 45.561 44.968 0.593 1
1 759 . 3 1 1 A 67 67 GLY N N 67 108.025 110.344 -2.319 1
1 760 . 3 1 1 A 68 68 LEU H H 68 7.994 8.496 -0.502 1
1 761 . 3 1 1 A 68 68 LEU HA H 68 4.265 3.976 0.289 1
1 771 . 3 1 1 A 68 68 LEU C C 68 177.430 178.673 -1.243 1
1 772 . 3 1 1 A 68 68 LEU CA C 68 54.935 58.117 -3.182 1
1 773 . 3 1 1 A 68 68 LEU CB C 68 42.124 41.675 0.449 1
1 777 . 3 1 1 A 68 68 LEU N N 68 121.101 121.865 -0.764 1
1 16 . 4 1 1 A 2 2 LEU H H 2 9.099 8.887 0.212 1
1 17 . 4 1 1 A 2 2 LEU HA H 2 5.183 5.182 0.001 1
1 26 . 4 1 1 A 2 2 LEU C C 2 176.031 175.872 0.159 1
1 27 . 4 1 1 A 2 2 LEU CA C 2 53.682 53.475 0.207 1
1 28 . 4 1 1 A 2 2 LEU CB C 2 43.994 44.338 -0.344 1
1 31 . 4 1 1 A 2 2 LEU N N 2 125.441 124.882 0.559 1
1 32 . 4 1 1 A 3 3 VAL H H 3 9.070 8.810 0.260 1
1 33 . 4 1 1 A 3 3 VAL HA H 3 4.720 4.653 0.067 1
1 41 . 4 1 1 A 3 3 VAL C C 3 173.653 174.914 -1.261 1
1 42 . 4 1 1 A 3 3 VAL CA C 3 59.935 61.591 -1.656 1
1 43 . 4 1 1 A 3 3 VAL CB C 3 34.312 35.046 -0.734 1
1 46 . 4 1 1 A 3 3 VAL N N 3 123.079 120.690 2.389 1
1 47 . 4 1 1 A 4 4 ILE H H 4 8.552 9.527 -0.975 1
1 48 . 4 1 1 A 4 4 ILE HA H 4 4.530 4.539 -0.009 1
1 58 . 4 1 1 A 4 4 ILE C C 4 174.344 175.565 -1.221 1
1 59 . 4 1 1 A 4 4 ILE CA C 4 59.313 61.014 -1.701 1
1 60 . 4 1 1 A 4 4 ILE CB C 4 38.999 37.145 1.854 1
1 64 . 4 1 1 A 4 4 ILE N N 4 124.929 128.674 -3.745 1
1 65 . 4 1 1 A 5 5 VAL H H 5 8.911 8.679 0.232 1
1 66 . 4 1 1 A 5 5 VAL HA H 5 4.968 4.565 0.403 1
1 74 . 4 1 1 A 5 5 VAL C C 5 174.722 175.419 -0.697 1
1 75 . 4 1 1 A 5 5 VAL CA C 5 60.247 62.085 -1.838 1
1 76 . 4 1 1 A 5 5 VAL CB C 5 33.369 32.463 0.906 1
1 79 . 4 1 1 A 5 5 VAL N N 5 127.032 128.810 -1.778 1
1 80 . 4 1 1 A 6 6 ARG H H 6 9.417 8.831 0.586 1
1 81 . 4 1 1 A 6 6 ARG HA H 6 4.945 4.718 0.227 1
1 89 . 4 1 1 A 6 6 ARG C C 6 174.662 175.540 -0.878 1
1 90 . 4 1 1 A 6 6 ARG CA C 6 55.557 55.801 -0.244 1
1 91 . 4 1 1 A 6 6 ARG CB C 6 30.557 31.093 -0.536 1
1 94 . 4 1 1 A 6 6 ARG N N 6 127.895 127.880 0.015 1
1 96 . 4 1 1 A 7 7 LEU H H 7 8.368 8.867 -0.499 1
1 97 . 4 1 1 A 7 7 LEU HA H 7 4.761 4.424 0.337 1
1 107 . 4 1 1 A 7 7 LEU C C 7 175.869 177.947 -2.078 1
1 108 . 4 1 1 A 7 7 LEU CA C 7 53.682 54.190 -0.508 1
1 109 . 4 1 1 A 7 7 LEU CB C 7 43.994 42.091 1.903 1
1 112 . 4 1 1 A 7 7 LEU N N 7 127.357 126.099 1.258 1
1 113 . 4 1 1 A 8 8 GLN H H 8 9.244 8.628 0.616 1
1 114 . 4 1 1 A 8 8 GLN HA H 8 3.825 3.847 -0.022 1
1 119 . 4 1 1 A 8 8 GLN C C 8 175.478 176.217 -0.739 1
1 120 . 4 1 1 A 8 8 GLN CA C 8 58.372 59.490 -1.118 1
1 121 . 4 1 1 A 8 8 GLN CB C 8 27.125 28.760 -1.635 1
1 123 . 4 1 1 A 8 8 GLN N N 8 123.025 123.140 -0.115 1
1 124 . 4 1 1 A 9 9 ASP H H 9 8.622 8.157 0.465 1
1 125 . 4 1 1 A 9 9 ASP HA H 9 4.609 4.742 -0.133 1
1 128 . 4 1 1 A 9 9 ASP C C 9 175.352 174.442 0.910 1
1 129 . 4 1 1 A 9 9 ASP CA C 9 54.619 53.462 1.157 1
1 130 . 4 1 1 A 9 9 ASP CB C 9 40.576 41.557 -0.981 1
1 131 . 4 1 1 A 9 9 ASP N N 9 117.207 117.238 -0.031 1
1 132 . 4 1 1 A 10 10 GLN H H 10 7.972 7.531 0.441 1
1 133 . 4 1 1 A 10 10 GLN HA H 10 4.644 4.945 -0.301 1
1 138 . 4 1 1 A 10 10 GLN C C 10 174.812 174.623 0.189 1
1 139 . 4 1 1 A 10 10 GLN CA C 10 54.932 54.419 0.513 1
1 140 . 4 1 1 A 10 10 GLN CB C 10 31.807 33.690 -1.883 1
1 142 . 4 1 1 A 10 10 GLN N N 10 118.451 116.248 2.203 1
1 143 . 4 1 1 A 11 11 THR H H 11 8.593 8.504 0.089 1
1 144 . 4 1 1 A 11 11 THR HA H 11 4.874 5.188 -0.314 1
1 149 . 4 1 1 A 11 11 THR C C 11 173.521 173.324 0.197 1
1 150 . 4 1 1 A 11 11 THR CA C 11 61.810 61.448 0.362 1
1 151 . 4 1 1 A 11 11 THR CB C 11 69.934 71.423 -1.489 1
1 153 . 4 1 1 A 11 11 THR N N 11 118.464 116.221 2.243 1
1 154 . 4 1 1 A 12 12 LEU H H 12 9.554 8.598 0.956 1
1 155 . 4 1 1 A 12 12 LEU HA H 12 4.872 4.720 0.152 1
1 164 . 4 1 1 A 12 12 LEU CA C 12 51.494 51.013 0.481 1
1 165 . 4 1 1 A 12 12 LEU CB C 12 44.932 45.729 -0.797 1
1 168 . 4 1 1 A 12 12 LEU N N 12 128.567 125.889 2.678 1
1 169 . 4 1 1 A 13 13 PRO HA H 13 5.141 4.822 0.319 1
1 176 . 4 1 1 A 13 13 PRO C C 13 176.800 175.381 1.419 1
1 177 . 4 1 1 A 13 13 PRO CA C 13 60.869 62.432 -1.563 1
1 178 . 4 1 1 A 13 13 PRO CB C 13 32.119 33.320 -1.201 1
1 181 . 4 1 1 A 14 14 PHE H H 14 9.302 8.602 0.700 1
1 182 . 4 1 1 A 14 14 PHE HA H 14 4.622 5.008 -0.386 1
1 189 . 4 1 1 A 14 14 PHE C C 14 173.677 174.467 -0.790 1
1 190 . 4 1 1 A 14 14 PHE CA C 14 57.747 56.306 1.441 1
1 191 . 4 1 1 A 14 14 PHE CB C 14 42.749 41.755 0.994 1
1 192 . 4 1 1 A 14 14 PHE N N 14 121.778 120.098 1.680 1
1 193 . 4 1 1 A 15 15 GLU H H 15 8.516 8.863 -0.347 1
1 194 . 4 1 1 A 15 15 GLU HA H 15 5.260 4.621 0.639 1
1 199 . 4 1 1 A 15 15 GLU C C 15 175.821 175.641 0.180 1
1 200 . 4 1 1 A 15 15 GLU CA C 15 54.932 56.770 -1.838 1
1 201 . 4 1 1 A 15 15 GLU CB C 15 30.244 30.209 0.035 1
1 203 . 4 1 1 A 15 15 GLU N N 15 123.002 124.883 -1.881 1
1 204 . 4 1 1 A 16 16 LEU H H 16 8.937 8.617 0.320 1
1 205 . 4 1 1 A 16 16 LEU HA H 16 4.952 4.830 0.122 1
1 215 . 4 1 1 A 16 16 LEU CA C 16 51.494 51.664 -0.170 1
1 216 . 4 1 1 A 16 16 LEU CB C 16 44.941 44.237 0.704 1
1 220 . 4 1 1 A 16 16 LEU N N 16 126.803 129.607 -2.804 1
1 221 . 4 1 1 A 17 17 PRO HA H 17 4.547 4.614 -0.067 1
1 228 . 4 1 1 A 17 17 PRO C C 17 175.472 176.329 -0.857 1
1 229 . 4 1 1 A 17 17 PRO CA C 17 62.119 62.335 -0.216 1
1 230 . 4 1 1 A 17 17 PRO CB C 17 32.119 32.642 -0.523 1
1 233 . 4 1 1 A 18 18 ALA H H 18 7.892 8.238 -0.346 1
1 234 . 4 1 1 A 18 18 ALA HA H 18 4.065 3.964 0.101 1
1 238 . 4 1 1 A 18 18 ALA C C 18 178.735 178.503 0.232 1
1 239 . 4 1 1 A 18 18 ALA CA C 18 53.060 53.748 -0.688 1
1 240 . 4 1 1 A 18 18 ALA CB C 18 18.063 18.416 -0.353 1
1 241 . 4 1 1 A 18 18 ALA N N 18 121.997 124.882 -2.885 1
1 242 . 4 1 1 A 19 19 GLY H H 19 8.519 8.836 -0.317 1
1 243 . 4 1 1 A 19 19 GLY HA2 H 19 3.754 3.869 -0.115 1
1 244 . 4 1 1 A 19 19 GLY HA3 H 19 4.066 3.870 0.196 1
1 245 . 4 1 1 A 19 19 GLY C C 19 174.376 174.717 -0.341 1
1 246 . 4 1 1 A 19 19 GLY CA C 19 44.625 45.779 -1.154 1
1 247 . 4 1 1 A 19 19 GLY N N 19 110.335 110.696 -0.361 1
1 248 . 4 1 1 A 20 20 ALA H H 20 7.459 7.754 -0.295 1
1 249 . 4 1 1 A 20 20 ALA HA H 20 4.210 4.288 -0.078 1
1 253 . 4 1 1 A 20 20 ALA C C 20 176.171 176.795 -0.624 1
1 254 . 4 1 1 A 20 20 ALA CA C 20 52.751 52.500 0.251 1
1 255 . 4 1 1 A 20 20 ALA CB C 20 20.563 19.932 0.631 1
1 256 . 4 1 1 A 20 20 ALA N N 20 121.746 123.515 -1.769 1
1 257 . 4 1 1 A 21 21 ARG H H 21 8.148 8.759 -0.611 1
1 258 . 4 1 1 A 21 21 ARG HA H 21 5.132 4.754 0.378 1
1 265 . 4 1 1 A 21 21 ARG C C 21 178.292 176.414 1.878 1
1 266 . 4 1 1 A 21 21 ARG CA C 21 53.369 54.345 -0.976 1
1 267 . 4 1 1 A 21 21 ARG CB C 21 32.921 32.149 0.772 1
1 270 . 4 1 1 A 21 21 ARG N N 21 118.121 117.099 1.022 1
1 271 . 4 1 1 A 22 22 ALA H H 22 8.867 8.754 0.113 1
1 272 . 4 1 1 A 22 22 ALA HA H 22 3.799 3.978 -0.179 1
1 276 . 4 1 1 A 22 22 ALA C C 22 178.735 179.380 -0.645 1
1 277 . 4 1 1 A 22 22 ALA CA C 22 55.872 55.043 0.829 1
1 278 . 4 1 1 A 22 22 ALA CB C 22 18.375 18.389 -0.014 1
1 279 . 4 1 1 A 22 22 ALA N N 22 123.186 122.599 0.587 1
1 280 . 4 1 1 A 23 23 SER H H 23 8.383 7.954 0.429 1
1 281 . 4 1 1 A 23 23 SER HA H 23 4.205 4.171 0.034 1
1 284 . 4 1 1 A 23 23 SER C C 23 176.754 177.505 -0.751 1
1 285 . 4 1 1 A 23 23 SER CA C 23 60.557 61.399 -0.842 1
1 286 . 4 1 1 A 23 23 SER CB C 23 61.807 63.222 -1.415 1
1 287 . 4 1 1 A 23 23 SER N N 23 111.612 113.690 -2.078 1
1 288 . 4 1 1 A 24 24 GLN H H 24 7.744 8.061 -0.317 1
1 289 . 4 1 1 A 24 24 GLN HA H 24 4.173 3.981 0.192 1
1 294 . 4 1 1 A 24 24 GLN C C 24 178.689 178.217 0.472 1
1 295 . 4 1 1 A 24 24 GLN CA C 24 58.682 59.085 -0.403 1
1 296 . 4 1 1 A 24 24 GLN CB C 24 28.682 28.110 0.572 1
1 298 . 4 1 1 A 24 24 GLN N N 24 121.537 120.236 1.301 1
1 299 . 4 1 1 A 25 25 LEU H H 25 7.199 7.794 -0.595 1
1 300 . 4 1 1 A 25 25 LEU HA H 25 3.970 4.003 -0.033 1
1 310 . 4 1 1 A 25 25 LEU C C 25 177.966 178.673 -0.707 1
1 311 . 4 1 1 A 25 25 LEU CA C 25 56.810 57.916 -1.106 1
1 312 . 4 1 1 A 25 25 LEU CB C 25 41.494 41.358 0.136 1
1 316 . 4 1 1 A 25 25 LEU N N 25 119.709 122.067 -2.358 1
1 317 . 4 1 1 A 26 26 SER H H 26 8.650 7.989 0.661 1
1 318 . 4 1 1 A 26 26 SER HA H 26 3.970 3.907 0.063 1
1 321 . 4 1 1 A 26 26 SER C C 26 176.917 176.185 0.732 1
1 322 . 4 1 1 A 26 26 SER CA C 26 62.744 61.875 0.869 1
1 323 . 4 1 1 A 26 26 SER CB C 26 62.119 62.699 -0.580 1
1 324 . 4 1 1 A 26 26 SER N N 26 114.988 116.500 -1.512 1
1 325 . 4 1 1 A 27 27 ASN H H 27 7.876 8.105 -0.229 1
1 326 . 4 1 1 A 27 27 ASN HA H 27 4.517 4.446 0.071 1
1 329 . 4 1 1 A 27 27 ASN C C 27 177.197 177.882 -0.685 1
1 330 . 4 1 1 A 27 27 ASN CA C 27 55.869 56.354 -0.485 1
1 331 . 4 1 1 A 27 27 ASN CB C 27 38.369 38.680 -0.311 1
1 332 . 4 1 1 A 27 27 ASN N N 27 118.197 120.002 -1.805 1
1 333 . 4 1 1 A 28 28 LEU H H 28 7.433 8.201 -0.768 1
1 334 . 4 1 1 A 28 28 LEU HA H 28 4.219 3.958 0.261 1
1 344 . 4 1 1 A 28 28 LEU C C 28 179.411 178.967 0.444 1
1 345 . 4 1 1 A 28 28 LEU CA C 28 57.122 58.027 -0.905 1
1 346 . 4 1 1 A 28 28 LEU CB C 28 41.984 42.039 -0.055 1
1 350 . 4 1 1 A 28 28 LEU N N 28 120.223 119.770 0.453 1
1 351 . 4 1 1 A 29 29 LEU H H 29 7.866 8.111 -0.245 1
1 352 . 4 1 1 A 29 29 LEU HA H 29 4.091 3.977 0.114 1
1 362 . 4 1 1 A 29 29 LEU C C 29 178.386 179.082 -0.696 1
1 363 . 4 1 1 A 29 29 LEU CA C 29 56.497 57.505 -1.008 1
1 364 . 4 1 1 A 29 29 LEU CB C 29 42.124 41.002 1.122 1
1 368 . 4 1 1 A 29 29 LEU N N 29 119.017 118.174 0.843 1
1 369 . 4 1 1 A 30 30 SER H H 30 8.117 8.142 -0.025 1
1 370 . 4 1 1 A 30 30 SER HA H 30 4.615 4.095 0.520 1
1 373 . 4 1 1 A 30 30 SER C C 30 175.145 176.828 -1.683 1
1 374 . 4 1 1 A 30 30 SER CA C 30 59.932 60.979 -1.047 1
1 375 . 4 1 1 A 30 30 SER CB C 30 63.057 63.142 -0.085 1
1 376 . 4 1 1 A 30 30 SER N N 30 114.044 114.991 -0.947 1
1 377 . 4 1 1 A 31 31 SER H H 31 8.084 8.204 -0.120 1
1 378 . 4 1 1 A 31 31 SER HA H 31 4.535 4.098 0.437 1
1 381 . 4 1 1 A 31 31 SER CA C 31 58.994 61.256 -2.262 1
1 382 . 4 1 1 A 31 31 SER CB C 31 63.682 63.045 0.637 1
1 383 . 4 1 1 A 31 31 SER N N 31 115.938 116.478 -0.540 1
1 384 . 4 1 1 A 32 32 SER HA H 32 4.547 4.337 0.210 1
1 387 . 4 1 1 A 32 32 SER CA C 32 58.682 59.574 -0.892 1
1 388 . 4 1 1 A 32 32 SER CB C 32 63.369 63.813 -0.444 1
1 389 . 4 1 1 A 33 33 GLY H H 33 8.080 7.365 0.715 1
1 390 . 4 1 1 A 33 33 GLY HA2 H 33 3.786 4.087 -0.301 1
1 391 . 4 1 1 A 33 33 GLY HA3 H 33 4.160 4.092 0.068 1
1 392 . 4 1 1 A 33 33 GLY C C 33 173.746 173.324 0.422 1
1 393 . 4 1 1 A 33 33 GLY CA C 33 45.561 44.837 0.724 1
1 394 . 4 1 1 A 33 33 GLY N N 33 109.530 107.459 2.071 1
1 395 . 4 1 1 A 34 34 MET H H 34 7.781 8.427 -0.646 1
1 396 . 4 1 1 A 34 34 MET HA H 34 4.371 4.513 -0.142 1
1 401 . 4 1 1 A 34 34 MET C C 34 174.073 175.425 -1.352 1
1 402 . 4 1 1 A 34 34 MET CA C 34 54.619 54.650 -0.031 1
1 403 . 4 1 1 A 34 34 MET CB C 34 33.994 31.575 2.419 1
1 405 . 4 1 1 A 34 34 MET N N 34 119.527 124.353 -4.826 1
1 406 . 4 1 1 A 35 35 ALA H H 35 7.956 8.210 -0.254 1
1 407 . 4 1 1 A 35 35 ALA HA H 35 4.374 4.166 0.208 1
1 411 . 4 1 1 A 35 35 ALA C C 35 175.915 176.489 -0.574 1
1 412 . 4 1 1 A 35 35 ALA CA C 35 51.185 49.979 1.206 1
1 413 . 4 1 1 A 35 35 ALA CB C 35 19.000 20.531 -1.531 1
1 414 . 4 1 1 A 35 35 ALA N N 35 125.314 127.068 -1.754 1
1 415 . 4 1 1 A 36 36 PHE H H 36 7.838 7.830 0.008 1
1 416 . 4 1 1 A 36 36 PHE HA H 36 4.858 5.329 -0.471 1
1 424 . 4 1 1 A 36 36 PHE C C 36 175.868 173.896 1.972 1
1 425 . 4 1 1 A 36 36 PHE CA C 36 57.122 54.994 2.128 1
1 426 . 4 1 1 A 36 36 PHE CB C 36 41.812 41.600 0.212 1
1 427 . 4 1 1 A 36 36 PHE N N 36 117.347 114.301 3.046 1
1 428 . 4 1 1 A 37 37 SER H H 37 8.943 8.265 0.678 1
1 429 . 4 1 1 A 37 37 SER HA H 37 4.623 4.724 -0.101 1
1 432 . 4 1 1 A 37 37 SER C C 37 173.490 174.238 -0.748 1
1 433 . 4 1 1 A 37 37 SER CA C 37 57.432 59.008 -1.576 1
1 434 . 4 1 1 A 37 37 SER CB C 37 63.994 63.310 0.684 1
1 435 . 4 1 1 A 37 37 SER N N 37 117.034 117.114 -0.080 1
1 436 . 4 1 1 A 38 38 LEU H H 38 8.787 9.023 -0.236 1
1 437 . 4 1 1 A 38 38 LEU HA H 38 5.072 4.939 0.133 1
1 447 . 4 1 1 A 38 38 LEU C C 38 175.467 175.710 -0.243 1
1 448 . 4 1 1 A 38 38 LEU CA C 38 53.994 54.033 -0.039 1
1 449 . 4 1 1 A 38 38 LEU CB C 38 43.057 42.272 0.785 1
1 453 . 4 1 1 A 38 38 LEU N N 38 124.534 127.352 -2.818 1
1 454 . 4 1 1 A 39 39 HIS H H 39 9.132 8.685 0.447 1
1 455 . 4 1 1 A 39 39 HIS HA H 39 5.434 5.522 -0.088 1
1 458 . 4 1 1 A 39 39 HIS C C 39 174.656 172.353 2.303 1
1 459 . 4 1 1 A 39 39 HIS CA C 39 53.994 54.156 -0.162 1
1 460 . 4 1 1 A 39 39 HIS CB C 39 35.869 33.332 2.537 1
1 461 . 4 1 1 A 39 39 HIS N N 39 121.803 120.148 1.655 1
1 462 . 4 1 1 A 40 40 THR H H 40 9.101 8.638 0.463 1
1 463 . 4 1 1 A 40 40 THR HA H 40 4.947 4.806 0.141 1
1 468 . 4 1 1 A 40 40 THR C C 40 173.373 173.903 -0.530 1
1 469 . 4 1 1 A 40 40 THR CA C 40 60.872 60.106 0.766 1
1 470 . 4 1 1 A 40 40 THR CB C 40 69.934 71.320 -1.386 1
1 472 . 4 1 1 A 40 40 THR N N 40 114.826 111.200 3.626 1
1 473 . 4 1 1 A 41 41 GLN H H 41 9.462 9.424 0.038 1
1 474 . 4 1 1 A 41 41 GLN HA H 41 3.967 4.026 -0.059 1
1 479 . 4 1 1 A 41 41 GLN C C 41 176.031 175.774 0.257 1
1 480 . 4 1 1 A 41 41 GLN CA C 41 56.809 56.980 -0.171 1
1 481 . 4 1 1 A 41 41 GLN CB C 41 27.119 27.293 -0.174 1
1 483 . 4 1 1 A 41 41 GLN N N 41 125.458 122.467 2.991 1
1 484 . 4 1 1 A 42 42 GLY H H 42 9.114 8.969 0.145 1
1 485 . 4 1 1 A 42 42 GLY HA2 H 42 3.681 3.521 0.160 1
1 486 . 4 1 1 A 42 42 GLY HA3 H 42 4.177 3.796 0.381 1
1 487 . 4 1 1 A 42 42 GLY C C 42 173.977 173.609 0.368 1
1 488 . 4 1 1 A 42 42 GLY CA C 42 45.557 45.799 -0.242 1
1 489 . 4 1 1 A 42 42 GLY N N 42 105.029 104.449 0.580 1
1 490 . 4 1 1 A 43 43 ARG H H 43 8.140 7.992 0.148 1
1 491 . 4 1 1 A 43 43 ARG HA H 43 4.725 4.749 -0.024 1
1 498 . 4 1 1 A 43 43 ARG CA C 43 53.994 54.080 -0.086 1
1 499 . 4 1 1 A 43 43 ARG CB C 43 32.744 33.261 -0.517 1
1 502 . 4 1 1 A 43 43 ARG N N 43 121.025 119.563 1.462 1
1 503 . 4 1 1 A 44 44 VAL HA H 44 3.819 4.100 -0.281 1
1 511 . 4 1 1 A 44 44 VAL C C 44 176.124 175.854 0.270 1
1 512 . 4 1 1 A 44 44 VAL CA C 44 62.747 63.276 -0.529 1
1 513 . 4 1 1 A 44 44 VAL CB C 44 32.125 32.158 -0.033 1
1 516 . 4 1 1 A 45 45 LEU H H 45 8.513 8.592 -0.079 1
1 517 . 4 1 1 A 45 45 LEU HA H 45 4.388 4.941 -0.553 1
1 527 . 4 1 1 A 45 45 LEU C C 45 177.197 177.605 -0.408 1
1 528 . 4 1 1 A 45 45 LEU CA C 45 53.682 53.425 0.257 1
1 529 . 4 1 1 A 45 45 LEU CB C 45 42.437 43.617 -1.180 1
1 533 . 4 1 1 A 45 45 LEU N N 45 129.261 128.494 0.767 1
1 534 . 4 1 1 A 46 46 SER H H 46 8.238 8.723 -0.485 1
1 535 . 4 1 1 A 46 46 SER HA H 46 4.441 4.803 -0.362 1
1 538 . 4 1 1 A 46 46 SER C C 46 175.052 175.980 -0.928 1
1 539 . 4 1 1 A 46 46 SER CA C 46 57.744 57.318 0.426 1
1 540 . 4 1 1 A 46 46 SER CB C 46 63.682 64.955 -1.273 1
1 541 . 4 1 1 A 46 46 SER N N 46 116.459 118.631 -2.172 1
1 542 . 4 1 1 A 47 47 GLU H H 47 8.743 9.015 -0.272 1
1 543 . 4 1 1 A 47 47 GLU HA H 47 4.009 4.057 -0.048 1
1 548 . 4 1 1 A 47 47 GLU C C 47 176.054 177.409 -1.355 1
1 549 . 4 1 1 A 47 47 GLU CA C 47 59.307 59.229 0.078 1
1 550 . 4 1 1 A 47 47 GLU CB C 47 29.619 29.449 0.170 1
1 552 . 4 1 1 A 47 47 GLU N N 47 121.669 121.729 -0.060 1
1 553 . 4 1 1 A 48 48 ALA H H 48 7.738 7.449 0.289 1
1 554 . 4 1 1 A 48 48 ALA HA H 48 4.477 4.441 0.036 1
1 558 . 4 1 1 A 48 48 ALA C C 48 177.267 177.612 -0.345 1
1 559 . 4 1 1 A 48 48 ALA CA C 48 50.873 51.344 -0.471 1
1 560 . 4 1 1 A 48 48 ALA CB C 48 19.000 19.564 -0.564 1
1 561 . 4 1 1 A 48 48 ALA N N 48 117.799 120.750 -2.951 1
1 562 . 4 1 1 A 49 49 ALA H H 49 7.597 7.647 -0.050 1
1 563 . 4 1 1 A 49 49 ALA HA H 49 4.086 4.178 -0.092 1
1 567 . 4 1 1 A 49 49 ALA C C 49 177.104 176.643 0.461 1
1 568 . 4 1 1 A 49 49 ALA CA C 49 52.748 53.251 -0.503 1
1 569 . 4 1 1 A 49 49 ALA CB C 49 19.938 19.094 0.844 1
1 570 . 4 1 1 A 49 49 ALA N N 49 122.785 121.902 0.883 1
1 571 . 4 1 1 A 50 50 GLU H H 50 8.511 8.614 -0.103 1
1 572 . 4 1 1 A 50 50 GLU HA H 50 4.140 4.906 -0.766 1
1 577 . 4 1 1 A 50 50 GLU C C 50 176.054 175.208 0.846 1
1 578 . 4 1 1 A 50 50 GLU CA C 50 56.807 54.970 1.837 1
1 579 . 4 1 1 A 50 50 GLU CB C 50 30.557 32.218 -1.661 1
1 581 . 4 1 1 A 50 50 GLU N N 50 121.303 124.425 -3.122 1
1 582 . 4 1 1 A 51 51 LEU H H 51 8.047 8.932 -0.885 1
1 583 . 4 1 1 A 51 51 LEU HA H 51 4.501 4.282 0.219 1
1 593 . 4 1 1 A 51 51 LEU C C 51 174.656 176.513 -1.857 1
1 594 . 4 1 1 A 51 51 LEU CA C 51 53.379 56.340 -2.961 1
1 595 . 4 1 1 A 51 51 LEU CB C 51 42.121 42.123 -0.002 1
1 599 . 4 1 1 A 51 51 LEU N N 51 122.325 129.028 -6.703 1
1 600 . 4 1 1 A 52 52 ASN H H 52 7.424 7.590 -0.166 1
1 601 . 4 1 1 A 52 52 ASN HA H 52 5.067 4.948 0.119 1
1 606 . 4 1 1 A 52 52 ASN C C 52 173.094 172.695 0.399 1
1 607 . 4 1 1 A 52 52 ASN CA C 52 52.119 52.108 0.011 1
1 608 . 4 1 1 A 52 52 ASN CB C 52 42.744 41.207 1.537 1
1 609 . 4 1 1 A 52 52 ASN N N 52 115.275 112.315 2.960 1
1 611 . 4 1 1 A 53 53 ASP H H 53 8.495 8.602 -0.107 1
1 612 . 4 1 1 A 53 53 ASP HA H 53 4.376 4.779 -0.403 1
1 615 . 4 1 1 A 53 53 ASP C C 53 176.544 176.731 -0.187 1
1 616 . 4 1 1 A 53 53 ASP CA C 53 55.869 54.040 1.829 1
1 617 . 4 1 1 A 53 53 ASP CB C 53 41.807 41.945 -0.138 1
1 618 . 4 1 1 A 53 53 ASP N N 53 118.480 120.608 -2.128 1
1 619 . 4 1 1 A 54 54 LYS H H 54 9.479 8.800 0.679 1
1 620 . 4 1 1 A 54 54 LYS HA H 54 3.713 3.969 -0.256 1
1 621 . 4 1 1 A 54 54 LYS C C 54 175.495 175.925 -0.430 1
1 622 . 4 1 1 A 54 54 LYS CA C 54 57.750 57.268 0.482 1
1 623 . 4 1 1 A 54 54 LYS N N 54 119.414 125.145 -5.731 1
1 624 . 4 1 1 A 55 55 MET H H 55 7.665 8.067 -0.402 1
1 625 . 4 1 1 A 55 55 MET HA H 55 4.198 4.586 -0.388 1
1 630 . 4 1 1 A 55 55 MET C C 55 173.746 174.807 -1.061 1
1 631 . 4 1 1 A 55 55 MET CA C 55 57.119 55.495 1.624 1
1 632 . 4 1 1 A 55 55 MET CB C 55 34.932 33.841 1.091 1
1 634 . 4 1 1 A 55 55 MET N N 55 119.804 118.990 0.814 1
1 635 . 4 1 1 A 56 56 VAL H H 56 8.282 8.408 -0.126 1
1 636 . 4 1 1 A 56 56 VAL HA H 56 4.831 4.706 0.125 1
1 644 . 4 1 1 A 56 56 VAL C C 56 176.264 174.683 1.581 1
1 645 . 4 1 1 A 56 56 VAL CA C 56 61.497 61.743 -0.246 1
1 646 . 4 1 1 A 56 56 VAL CB C 56 32.437 34.078 -1.641 1
1 649 . 4 1 1 A 56 56 VAL N N 56 122.814 118.848 3.966 1
1 650 . 4 1 1 A 57 57 ILE H H 57 9.651 9.177 0.474 1
1 651 . 4 1 1 A 57 57 ILE HA H 57 4.644 4.830 -0.186 1
1 661 . 4 1 1 A 57 57 ILE C C 57 173.770 174.349 -0.579 1
1 662 . 4 1 1 A 57 57 ILE CA C 57 59.307 59.994 -0.687 1
1 663 . 4 1 1 A 57 57 ILE CB C 57 41.494 40.210 1.284 1
1 667 . 4 1 1 A 57 57 ILE N N 57 132.467 128.328 4.139 1
1 668 . 4 1 1 A 58 58 ASP H H 58 9.257 8.829 0.428 1
1 669 . 4 1 1 A 58 58 ASP HA H 58 5.173 5.089 0.084 1
1 672 . 4 1 1 A 58 58 ASP C C 58 173.886 174.473 -0.587 1
1 673 . 4 1 1 A 58 58 ASP CA C 58 53.994 52.636 1.358 1
1 674 . 4 1 1 A 58 58 ASP CB C 58 43.682 41.824 1.858 1
1 675 . 4 1 1 A 58 58 ASP N N 58 127.121 127.080 0.041 1
1 676 . 4 1 1 A 59 59 ALA H H 59 8.424 8.974 -0.550 1
1 677 . 4 1 1 A 59 59 ALA HA H 59 5.335 4.805 0.530 1
1 681 . 4 1 1 A 59 59 ALA C C 59 175.611 176.101 -0.490 1
1 682 . 4 1 1 A 59 59 ALA CA C 59 49.935 51.197 -1.262 1
1 683 . 4 1 1 A 59 59 ALA CB C 59 20.875 19.911 0.964 1
1 684 . 4 1 1 A 59 59 ALA N N 59 125.860 127.941 -2.081 1
1 685 . 4 1 1 A 60 60 PHE H H 60 8.621 9.218 -0.597 1
1 686 . 4 1 1 A 60 60 PHE HA H 60 4.986 5.186 -0.200 1
1 693 . 4 1 1 A 60 60 PHE C C 60 174.469 174.343 0.126 1
1 694 . 4 1 1 A 60 60 PHE CA C 60 55.872 56.358 -0.486 1
1 695 . 4 1 1 A 60 60 PHE CB C 60 41.187 41.657 -0.470 1
1 696 . 4 1 1 A 60 60 PHE N N 60 119.918 125.840 -5.922 1
1 697 . 4 1 1 A 61 61 VAL H H 61 8.648 8.572 0.076 1
1 698 . 4 1 1 A 61 61 VAL HA H 61 4.458 4.445 0.013 1
1 706 . 4 1 1 A 61 61 VAL CA C 61 59.622 58.900 0.722 1
1 707 . 4 1 1 A 61 61 VAL CB C 61 32.437 32.909 -0.472 1
1 710 . 4 1 1 A 61 61 VAL N N 61 123.408 122.943 0.465 1
1 711 . 4 1 1 A 62 62 PRO HA H 62 4.395 4.447 -0.052 1
1 718 . 4 1 1 A 62 62 PRO C C 62 176.614 177.082 -0.468 1
1 719 . 4 1 1 A 62 62 PRO CA C 62 63.057 62.494 0.563 1
1 720 . 4 1 1 A 62 62 PRO CB C 62 32.119 32.225 -0.106 1
1 723 . 4 1 1 A 63 63 ALA H H 63 8.410 8.358 0.052 1
1 724 . 4 1 1 A 63 63 ALA HA H 63 4.281 4.299 -0.018 1
1 728 . 4 1 1 A 63 63 ALA C C 63 177.527 177.338 0.189 1
1 729 . 4 1 1 A 63 63 ALA CA C 63 52.435 53.070 -0.635 1
1 730 . 4 1 1 A 63 63 ALA CB C 63 19.000 19.165 -0.165 1
1 731 . 4 1 1 A 63 63 ALA N N 63 124.350 124.445 -0.095 1
1 732 . 4 1 1 A 64 64 ASP H H 64 8.264 8.728 -0.464 1
1 733 . 4 1 1 A 64 64 ASP HA H 64 4.571 4.676 -0.105 1
1 736 . 4 1 1 A 64 64 ASP C C 64 176.824 177.745 -0.921 1
1 737 . 4 1 1 A 64 64 ASP CA C 64 53.994 54.757 -0.763 1
1 738 . 4 1 1 A 64 64 ASP CB C 64 41.182 41.308 -0.126 1
1 739 . 4 1 1 A 64 64 ASP N N 64 118.930 120.901 -1.971 1
1 740 . 4 1 1 A 65 65 GLY H H 65 8.289 8.904 -0.615 1
1 741 . 4 1 1 A 65 65 GLY HA2 H 65 3.906 3.926 -0.020 1
1 742 . 4 1 1 A 65 65 GLY HA3 H 65 3.906 3.926 -0.020 1
1 743 . 4 1 1 A 65 65 GLY C C 65 174.096 173.814 0.282 1
1 744 . 4 1 1 A 65 65 GLY CA C 65 45.249 45.746 -0.497 1
1 745 . 4 1 1 A 65 65 GLY N N 65 109.281 112.433 -3.152 1
1 746 . 4 1 1 A 66 66 ALA H H 66 8.147 7.646 0.501 1
1 747 . 4 1 1 A 66 66 ALA HA H 66 4.306 4.859 -0.553 1
1 751 . 4 1 1 A 66 66 ALA CA C 66 52.435 51.374 1.061 1
1 752 . 4 1 1 A 66 66 ALA CB C 66 19.000 22.891 -3.891 1
1 753 . 4 1 1 A 66 66 ALA N N 66 123.586 121.736 1.850 1
1 754 . 4 1 1 A 67 67 GLY H H 67 8.414 8.555 -0.141 1
1 755 . 4 1 1 A 67 67 GLY HA2 H 67 3.921 4.093 -0.172 1
1 756 . 4 1 1 A 67 67 GLY HA3 H 67 3.921 4.094 -0.173 1
1 757 . 4 1 1 A 67 67 GLY C C 67 174.306 175.477 -1.171 1
1 758 . 4 1 1 A 67 67 GLY CA C 67 45.561 45.288 0.273 1
1 759 . 4 1 1 A 67 67 GLY N N 67 108.025 106.312 1.713 1
1 760 . 4 1 1 A 68 68 LEU H H 68 7.994 8.103 -0.109 1
1 761 . 4 1 1 A 68 68 LEU HA H 68 4.265 3.912 0.353 1
1 771 . 4 1 1 A 68 68 LEU C C 68 177.430 178.651 -1.221 1
1 772 . 4 1 1 A 68 68 LEU CA C 68 54.935 58.193 -3.258 1
1 773 . 4 1 1 A 68 68 LEU CB C 68 42.124 42.039 0.085 1
1 777 . 4 1 1 A 68 68 LEU N N 68 121.101 120.500 0.601 1
1 16 . 5 1 1 A 2 2 LEU H H 2 9.099 8.216 0.883 1
1 17 . 5 1 1 A 2 2 LEU HA H 2 5.183 4.933 0.250 1
1 26 . 5 1 1 A 2 2 LEU C C 2 176.031 175.001 1.030 1
1 27 . 5 1 1 A 2 2 LEU CA C 2 53.682 54.332 -0.650 1
1 28 . 5 1 1 A 2 2 LEU CB C 2 43.994 43.978 0.016 1
1 31 . 5 1 1 A 2 2 LEU N N 2 125.441 127.045 -1.604 1
1 32 . 5 1 1 A 3 3 VAL H H 3 9.070 8.725 0.345 1
1 33 . 5 1 1 A 3 3 VAL HA H 3 4.720 4.689 0.031 1
1 41 . 5 1 1 A 3 3 VAL C C 3 173.653 174.647 -0.994 1
1 42 . 5 1 1 A 3 3 VAL CA C 3 59.935 61.261 -1.326 1
1 43 . 5 1 1 A 3 3 VAL CB C 3 34.312 35.113 -0.801 1
1 46 . 5 1 1 A 3 3 VAL N N 3 123.079 125.782 -2.703 1
1 47 . 5 1 1 A 4 4 ILE H H 4 8.552 9.362 -0.810 1
1 48 . 5 1 1 A 4 4 ILE HA H 4 4.530 4.745 -0.215 1
1 58 . 5 1 1 A 4 4 ILE C C 4 174.344 175.218 -0.874 1
1 59 . 5 1 1 A 4 4 ILE CA C 4 59.313 60.691 -1.378 1
1 60 . 5 1 1 A 4 4 ILE CB C 4 38.999 37.410 1.589 1
1 64 . 5 1 1 A 4 4 ILE N N 4 124.929 128.867 -3.938 1
1 65 . 5 1 1 A 5 5 VAL H H 5 8.911 8.716 0.195 1
1 66 . 5 1 1 A 5 5 VAL HA H 5 4.968 4.785 0.183 1
1 74 . 5 1 1 A 5 5 VAL C C 5 174.722 175.069 -0.347 1
1 75 . 5 1 1 A 5 5 VAL CA C 5 60.247 62.106 -1.859 1
1 76 . 5 1 1 A 5 5 VAL CB C 5 33.369 32.460 0.909 1
1 79 . 5 1 1 A 5 5 VAL N N 5 127.032 128.499 -1.467 1
1 80 . 5 1 1 A 6 6 ARG H H 6 9.417 9.227 0.190 1
1 81 . 5 1 1 A 6 6 ARG HA H 6 4.945 4.853 0.092 1
1 89 . 5 1 1 A 6 6 ARG C C 6 174.662 175.293 -0.631 1
1 90 . 5 1 1 A 6 6 ARG CA C 6 55.557 55.529 0.028 1
1 91 . 5 1 1 A 6 6 ARG CB C 6 30.557 31.272 -0.715 1
1 94 . 5 1 1 A 6 6 ARG N N 6 127.895 128.015 -0.120 1
1 96 . 5 1 1 A 7 7 LEU H H 7 8.368 8.979 -0.611 1
1 97 . 5 1 1 A 7 7 LEU HA H 7 4.761 4.589 0.172 1
1 107 . 5 1 1 A 7 7 LEU C C 7 175.869 177.691 -1.822 1
1 108 . 5 1 1 A 7 7 LEU CA C 7 53.682 53.493 0.189 1
1 109 . 5 1 1 A 7 7 LEU CB C 7 43.994 42.836 1.158 1
1 112 . 5 1 1 A 7 7 LEU N N 7 127.357 127.802 -0.445 1
1 113 . 5 1 1 A 8 8 GLN H H 8 9.244 9.030 0.214 1
1 114 . 5 1 1 A 8 8 GLN HA H 8 3.825 3.917 -0.092 1
1 119 . 5 1 1 A 8 8 GLN C C 8 175.478 177.357 -1.879 1
1 120 . 5 1 1 A 8 8 GLN CA C 8 58.372 59.711 -1.339 1
1 121 . 5 1 1 A 8 8 GLN CB C 8 27.125 28.740 -1.615 1
1 123 . 5 1 1 A 8 8 GLN N N 8 123.025 124.630 -1.605 1
1 124 . 5 1 1 A 9 9 ASP H H 9 8.622 7.704 0.918 1
1 125 . 5 1 1 A 9 9 ASP HA H 9 4.609 4.505 0.104 1
1 128 . 5 1 1 A 9 9 ASP C C 9 175.352 176.272 -0.920 1
1 129 . 5 1 1 A 9 9 ASP CA C 9 54.619 56.778 -2.159 1
1 130 . 5 1 1 A 9 9 ASP CB C 9 40.576 41.380 -0.804 1
1 131 . 5 1 1 A 9 9 ASP N N 9 117.207 118.928 -1.721 1
1 132 . 5 1 1 A 10 10 GLN H H 10 7.972 7.644 0.328 1
1 133 . 5 1 1 A 10 10 GLN HA H 10 4.644 4.857 -0.213 1
1 138 . 5 1 1 A 10 10 GLN C C 10 174.812 174.534 0.278 1
1 139 . 5 1 1 A 10 10 GLN CA C 10 54.932 54.251 0.681 1
1 140 . 5 1 1 A 10 10 GLN CB C 10 31.807 32.963 -1.156 1
1 142 . 5 1 1 A 10 10 GLN N N 10 118.451 114.899 3.552 1
1 143 . 5 1 1 A 11 11 THR H H 11 8.593 8.597 -0.004 1
1 144 . 5 1 1 A 11 11 THR HA H 11 4.874 4.747 0.127 1
1 149 . 5 1 1 A 11 11 THR C C 11 173.521 174.249 -0.728 1
1 150 . 5 1 1 A 11 11 THR CA C 11 61.810 62.104 -0.294 1
1 151 . 5 1 1 A 11 11 THR CB C 11 69.934 70.680 -0.746 1
1 153 . 5 1 1 A 11 11 THR N N 11 118.464 115.086 3.378 1
1 154 . 5 1 1 A 12 12 LEU H H 12 9.554 8.231 1.323 1
1 155 . 5 1 1 A 12 12 LEU HA H 12 4.872 4.617 0.255 1
1 164 . 5 1 1 A 12 12 LEU CA C 12 51.494 50.910 0.584 1
1 165 . 5 1 1 A 12 12 LEU CB C 12 44.932 45.557 -0.625 1
1 168 . 5 1 1 A 12 12 LEU N N 12 128.567 124.675 3.892 1
1 169 . 5 1 1 A 13 13 PRO HA H 13 5.141 4.809 0.332 1
1 176 . 5 1 1 A 13 13 PRO C C 13 176.800 175.304 1.496 1
1 177 . 5 1 1 A 13 13 PRO CA C 13 60.869 62.341 -1.472 1
1 178 . 5 1 1 A 13 13 PRO CB C 13 32.119 33.367 -1.248 1
1 181 . 5 1 1 A 14 14 PHE H H 14 9.302 8.586 0.716 1
1 182 . 5 1 1 A 14 14 PHE HA H 14 4.622 4.890 -0.268 1
1 189 . 5 1 1 A 14 14 PHE C C 14 173.677 174.460 -0.783 1
1 190 . 5 1 1 A 14 14 PHE CA C 14 57.747 56.205 1.542 1
1 191 . 5 1 1 A 14 14 PHE CB C 14 42.749 43.206 -0.457 1
1 192 . 5 1 1 A 14 14 PHE N N 14 121.778 119.342 2.436 1
1 193 . 5 1 1 A 15 15 GLU H H 15 8.516 8.932 -0.416 1
1 194 . 5 1 1 A 15 15 GLU HA H 15 5.260 4.751 0.509 1
1 199 . 5 1 1 A 15 15 GLU C C 15 175.821 175.527 0.294 1
1 200 . 5 1 1 A 15 15 GLU CA C 15 54.932 56.088 -1.156 1
1 201 . 5 1 1 A 15 15 GLU CB C 15 30.244 31.474 -1.230 1
1 203 . 5 1 1 A 15 15 GLU N N 15 123.002 123.727 -0.725 1
1 204 . 5 1 1 A 16 16 LEU H H 16 8.937 8.766 0.171 1
1 205 . 5 1 1 A 16 16 LEU HA H 16 4.952 4.825 0.127 1
1 215 . 5 1 1 A 16 16 LEU CA C 16 51.494 51.602 -0.108 1
1 216 . 5 1 1 A 16 16 LEU CB C 16 44.941 44.379 0.562 1
1 220 . 5 1 1 A 16 16 LEU N N 16 126.803 128.859 -2.056 1
1 221 . 5 1 1 A 17 17 PRO HA H 17 4.547 4.612 -0.065 1
1 228 . 5 1 1 A 17 17 PRO C C 17 175.472 176.147 -0.675 1
1 229 . 5 1 1 A 17 17 PRO CA C 17 62.119 62.335 -0.216 1
1 230 . 5 1 1 A 17 17 PRO CB C 17 32.119 32.649 -0.530 1
1 233 . 5 1 1 A 18 18 ALA H H 18 7.892 8.241 -0.349 1
1 234 . 5 1 1 A 18 18 ALA HA H 18 4.065 3.955 0.110 1
1 238 . 5 1 1 A 18 18 ALA C C 18 178.735 178.590 0.145 1
1 239 . 5 1 1 A 18 18 ALA CA C 18 53.060 53.884 -0.824 1
1 240 . 5 1 1 A 18 18 ALA CB C 18 18.063 18.342 -0.279 1
1 241 . 5 1 1 A 18 18 ALA N N 18 121.997 125.118 -3.121 1
1 242 . 5 1 1 A 19 19 GLY H H 19 8.519 8.830 -0.311 1
1 243 . 5 1 1 A 19 19 GLY HA2 H 19 3.754 3.836 -0.082 1
1 244 . 5 1 1 A 19 19 GLY HA3 H 19 4.066 3.837 0.229 1
1 245 . 5 1 1 A 19 19 GLY C C 19 174.376 174.551 -0.175 1
1 246 . 5 1 1 A 19 19 GLY CA C 19 44.625 46.099 -1.474 1
1 247 . 5 1 1 A 19 19 GLY N N 19 110.335 111.023 -0.688 1
1 248 . 5 1 1 A 20 20 ALA H H 20 7.459 7.789 -0.330 1
1 249 . 5 1 1 A 20 20 ALA HA H 20 4.210 4.268 -0.058 1
1 253 . 5 1 1 A 20 20 ALA C C 20 176.171 176.973 -0.802 1
1 254 . 5 1 1 A 20 20 ALA CA C 20 52.751 52.562 0.189 1
1 255 . 5 1 1 A 20 20 ALA CB C 20 20.563 19.999 0.564 1
1 256 . 5 1 1 A 20 20 ALA N N 20 121.746 123.418 -1.672 1
1 257 . 5 1 1 A 21 21 ARG H H 21 8.148 8.578 -0.430 1
1 258 . 5 1 1 A 21 21 ARG HA H 21 5.132 4.754 0.378 1
1 265 . 5 1 1 A 21 21 ARG C C 21 178.292 177.082 1.210 1
1 266 . 5 1 1 A 21 21 ARG CA C 21 53.369 54.241 -0.872 1
1 267 . 5 1 1 A 21 21 ARG CB C 21 32.921 32.772 0.149 1
1 270 . 5 1 1 A 21 21 ARG N N 21 118.121 121.434 -3.313 1
1 271 . 5 1 1 A 22 22 ALA H H 22 8.867 8.864 0.003 1
1 272 . 5 1 1 A 22 22 ALA HA H 22 3.799 4.011 -0.212 1
1 276 . 5 1 1 A 22 22 ALA C C 22 178.735 179.645 -0.910 1
1 277 . 5 1 1 A 22 22 ALA CA C 22 55.872 55.434 0.438 1
1 278 . 5 1 1 A 22 22 ALA CB C 22 18.375 18.249 0.126 1
1 279 . 5 1 1 A 22 22 ALA N N 22 123.186 124.111 -0.925 1
1 280 . 5 1 1 A 23 23 SER H H 23 8.383 8.116 0.267 1
1 281 . 5 1 1 A 23 23 SER HA H 23 4.205 4.072 0.133 1
1 284 . 5 1 1 A 23 23 SER C C 23 176.754 177.531 -0.777 1
1 285 . 5 1 1 A 23 23 SER CA C 23 60.557 61.386 -0.829 1
1 286 . 5 1 1 A 23 23 SER CB C 23 61.807 62.930 -1.123 1
1 287 . 5 1 1 A 23 23 SER N N 23 111.612 113.499 -1.887 1
1 288 . 5 1 1 A 24 24 GLN H H 24 7.744 8.070 -0.326 1
1 289 . 5 1 1 A 24 24 GLN HA H 24 4.173 3.931 0.242 1
1 294 . 5 1 1 A 24 24 GLN C C 24 178.689 177.930 0.759 1
1 295 . 5 1 1 A 24 24 GLN CA C 24 58.682 59.262 -0.580 1
1 296 . 5 1 1 A 24 24 GLN CB C 24 28.682 28.082 0.600 1
1 298 . 5 1 1 A 24 24 GLN N N 24 121.537 121.023 0.514 1
1 299 . 5 1 1 A 25 25 LEU H H 25 7.199 7.840 -0.641 1
1 300 . 5 1 1 A 25 25 LEU HA H 25 3.970 3.995 -0.025 1
1 310 . 5 1 1 A 25 25 LEU C C 25 177.966 178.668 -0.702 1
1 311 . 5 1 1 A 25 25 LEU CA C 25 56.810 57.892 -1.082 1
1 312 . 5 1 1 A 25 25 LEU CB C 25 41.494 41.127 0.367 1
1 316 . 5 1 1 A 25 25 LEU N N 25 119.709 121.930 -2.221 1
1 317 . 5 1 1 A 26 26 SER H H 26 8.650 8.177 0.473 1
1 318 . 5 1 1 A 26 26 SER HA H 26 3.970 3.806 0.164 1
1 321 . 5 1 1 A 26 26 SER C C 26 176.917 176.177 0.740 1
1 322 . 5 1 1 A 26 26 SER CA C 26 62.744 61.747 0.997 1
1 323 . 5 1 1 A 26 26 SER CB C 26 62.119 61.693 0.426 1
1 324 . 5 1 1 A 26 26 SER N N 26 114.988 116.265 -1.277 1
1 325 . 5 1 1 A 27 27 ASN H H 27 7.876 8.148 -0.272 1
1 326 . 5 1 1 A 27 27 ASN HA H 27 4.517 4.392 0.125 1
1 329 . 5 1 1 A 27 27 ASN C C 27 177.197 177.836 -0.639 1
1 330 . 5 1 1 A 27 27 ASN CA C 27 55.869 56.471 -0.602 1
1 331 . 5 1 1 A 27 27 ASN CB C 27 38.369 39.592 -1.223 1
1 332 . 5 1 1 A 27 27 ASN N N 27 118.197 119.977 -1.780 1
1 333 . 5 1 1 A 28 28 LEU H H 28 7.433 8.172 -0.739 1
1 334 . 5 1 1 A 28 28 LEU HA H 28 4.219 3.899 0.320 1
1 344 . 5 1 1 A 28 28 LEU C C 28 179.411 179.042 0.369 1
1 345 . 5 1 1 A 28 28 LEU CA C 28 57.122 57.960 -0.838 1
1 346 . 5 1 1 A 28 28 LEU CB C 28 41.984 41.995 -0.011 1
1 350 . 5 1 1 A 28 28 LEU N N 28 120.223 119.919 0.304 1
1 351 . 5 1 1 A 29 29 LEU H H 29 7.866 7.948 -0.082 1
1 352 . 5 1 1 A 29 29 LEU HA H 29 4.091 3.799 0.292 1
1 362 . 5 1 1 A 29 29 LEU C C 29 178.386 179.393 -1.007 1
1 363 . 5 1 1 A 29 29 LEU CA C 29 56.497 57.619 -1.122 1
1 364 . 5 1 1 A 29 29 LEU CB C 29 42.124 40.841 1.283 1
1 368 . 5 1 1 A 29 29 LEU N N 29 119.017 118.057 0.960 1
1 369 . 5 1 1 A 30 30 SER H H 30 8.117 8.204 -0.087 1
1 370 . 5 1 1 A 30 30 SER HA H 30 4.615 3.956 0.659 1
1 373 . 5 1 1 A 30 30 SER C C 30 175.145 176.021 -0.876 1
1 374 . 5 1 1 A 30 30 SER CA C 30 59.932 61.829 -1.897 1
1 375 . 5 1 1 A 30 30 SER CB C 30 63.057 62.741 0.316 1
1 376 . 5 1 1 A 30 30 SER N N 30 114.044 114.094 -0.050 1
1 377 . 5 1 1 A 31 31 SER H H 31 8.084 8.070 0.014 1
1 378 . 5 1 1 A 31 31 SER HA H 31 4.535 4.070 0.465 1
1 381 . 5 1 1 A 31 31 SER CA C 31 58.994 61.212 -2.218 1
1 382 . 5 1 1 A 31 31 SER CB C 31 63.682 63.010 0.672 1
1 383 . 5 1 1 A 31 31 SER N N 31 115.938 117.012 -1.074 1
1 384 . 5 1 1 A 32 32 SER HA H 32 4.547 4.494 0.053 1
1 387 . 5 1 1 A 32 32 SER CA C 32 58.682 58.412 0.270 1
1 388 . 5 1 1 A 32 32 SER CB C 32 63.369 64.513 -1.144 1
1 389 . 5 1 1 A 33 33 GLY H H 33 8.080 8.455 -0.375 1
1 390 . 5 1 1 A 33 33 GLY HA2 H 33 3.786 3.832 -0.046 1
1 391 . 5 1 1 A 33 33 GLY HA3 H 33 4.160 3.845 0.315 1
1 392 . 5 1 1 A 33 33 GLY C C 33 173.746 173.894 -0.148 1
1 393 . 5 1 1 A 33 33 GLY CA C 33 45.561 47.770 -2.209 1
1 394 . 5 1 1 A 33 33 GLY N N 33 109.530 111.483 -1.953 1
1 395 . 5 1 1 A 34 34 MET H H 34 7.781 7.761 0.020 1
1 396 . 5 1 1 A 34 34 MET HA H 34 4.371 4.938 -0.567 1
1 401 . 5 1 1 A 34 34 MET C C 34 174.073 173.579 0.494 1
1 402 . 5 1 1 A 34 34 MET CA C 34 54.619 54.104 0.515 1
1 403 . 5 1 1 A 34 34 MET CB C 34 33.994 38.611 -4.617 1
1 405 . 5 1 1 A 34 34 MET N N 34 119.527 117.446 2.081 1
1 406 . 5 1 1 A 35 35 ALA H H 35 7.956 8.821 -0.865 1
1 407 . 5 1 1 A 35 35 ALA HA H 35 4.374 4.957 -0.583 1
1 411 . 5 1 1 A 35 35 ALA C C 35 175.915 176.317 -0.402 1
1 412 . 5 1 1 A 35 35 ALA CA C 35 51.185 49.925 1.260 1
1 413 . 5 1 1 A 35 35 ALA CB C 35 19.000 22.582 -3.582 1
1 414 . 5 1 1 A 35 35 ALA N N 35 125.314 122.092 3.222 1
1 415 . 5 1 1 A 36 36 PHE H H 36 7.838 7.953 -0.115 1
1 416 . 5 1 1 A 36 36 PHE HA H 36 4.858 5.323 -0.465 1
1 424 . 5 1 1 A 36 36 PHE C C 36 175.868 172.672 3.196 1
1 425 . 5 1 1 A 36 36 PHE CA C 36 57.122 54.989 2.133 1
1 426 . 5 1 1 A 36 36 PHE CB C 36 41.812 41.402 0.410 1
1 427 . 5 1 1 A 36 36 PHE N N 36 117.347 117.069 0.278 1
1 428 . 5 1 1 A 37 37 SER H H 37 8.943 8.451 0.492 1
1 429 . 5 1 1 A 37 37 SER HA H 37 4.623 4.723 -0.100 1
1 432 . 5 1 1 A 37 37 SER C C 37 173.490 173.290 0.200 1
1 433 . 5 1 1 A 37 37 SER CA C 37 57.432 57.355 0.077 1
1 434 . 5 1 1 A 37 37 SER CB C 37 63.994 63.397 0.597 1
1 435 . 5 1 1 A 37 37 SER N N 37 117.034 115.785 1.249 1
1 436 . 5 1 1 A 38 38 LEU H H 38 8.787 9.087 -0.300 1
1 437 . 5 1 1 A 38 38 LEU HA H 38 5.072 4.790 0.282 1
1 447 . 5 1 1 A 38 38 LEU C C 38 175.467 175.825 -0.358 1
1 448 . 5 1 1 A 38 38 LEU CA C 38 53.994 53.566 0.428 1
1 449 . 5 1 1 A 38 38 LEU CB C 38 43.057 41.716 1.341 1
1 453 . 5 1 1 A 38 38 LEU N N 38 124.534 129.071 -4.537 1
1 454 . 5 1 1 A 39 39 HIS H H 39 9.132 8.649 0.483 1
1 455 . 5 1 1 A 39 39 HIS HA H 39 5.434 5.665 -0.231 1
1 458 . 5 1 1 A 39 39 HIS C C 39 174.656 172.868 1.788 1
1 459 . 5 1 1 A 39 39 HIS CA C 39 53.994 53.616 0.378 1
1 460 . 5 1 1 A 39 39 HIS CB C 39 35.869 33.374 2.495 1
1 461 . 5 1 1 A 39 39 HIS N N 39 121.803 120.574 1.229 1
1 462 . 5 1 1 A 40 40 THR H H 40 9.101 8.759 0.342 1
1 463 . 5 1 1 A 40 40 THR HA H 40 4.947 4.754 0.193 1
1 468 . 5 1 1 A 40 40 THR C C 40 173.373 174.082 -0.709 1
1 469 . 5 1 1 A 40 40 THR CA C 40 60.872 60.579 0.293 1
1 470 . 5 1 1 A 40 40 THR CB C 40 69.934 70.718 -0.784 1
1 472 . 5 1 1 A 40 40 THR N N 40 114.826 112.074 2.752 1
1 473 . 5 1 1 A 41 41 GLN H H 41 9.462 9.372 0.090 1
1 474 . 5 1 1 A 41 41 GLN HA H 41 3.967 4.042 -0.075 1
1 479 . 5 1 1 A 41 41 GLN C C 41 176.031 175.733 0.298 1
1 480 . 5 1 1 A 41 41 GLN CA C 41 56.809 57.089 -0.280 1
1 481 . 5 1 1 A 41 41 GLN CB C 41 27.119 27.395 -0.276 1
1 483 . 5 1 1 A 41 41 GLN N N 41 125.458 123.052 2.406 1
1 484 . 5 1 1 A 42 42 GLY H H 42 9.114 8.915 0.199 1
1 485 . 5 1 1 A 42 42 GLY HA2 H 42 3.681 3.498 0.183 1
1 486 . 5 1 1 A 42 42 GLY HA3 H 42 4.177 3.773 0.404 1
1 487 . 5 1 1 A 42 42 GLY C C 42 173.977 173.771 0.206 1
1 488 . 5 1 1 A 42 42 GLY CA C 42 45.557 45.669 -0.112 1
1 489 . 5 1 1 A 42 42 GLY N N 42 105.029 104.647 0.382 1
1 490 . 5 1 1 A 43 43 ARG H H 43 8.140 7.964 0.176 1
1 491 . 5 1 1 A 43 43 ARG HA H 43 4.725 4.644 0.081 1
1 498 . 5 1 1 A 43 43 ARG CA C 43 53.994 54.474 -0.480 1
1 499 . 5 1 1 A 43 43 ARG CB C 43 32.744 32.555 0.189 1
1 502 . 5 1 1 A 43 43 ARG N N 43 121.025 119.919 1.106 1
1 503 . 5 1 1 A 44 44 VAL HA H 44 3.819 4.106 -0.287 1
1 511 . 5 1 1 A 44 44 VAL C C 44 176.124 176.081 0.043 1
1 512 . 5 1 1 A 44 44 VAL CA C 44 62.747 63.319 -0.572 1
1 513 . 5 1 1 A 44 44 VAL CB C 44 32.125 31.937 0.188 1
1 516 . 5 1 1 A 45 45 LEU H H 45 8.513 8.266 0.247 1
1 517 . 5 1 1 A 45 45 LEU HA H 45 4.388 4.456 -0.068 1
1 527 . 5 1 1 A 45 45 LEU C C 45 177.197 177.908 -0.711 1
1 528 . 5 1 1 A 45 45 LEU CA C 45 53.682 54.795 -1.113 1
1 529 . 5 1 1 A 45 45 LEU CB C 45 42.437 42.468 -0.031 1
1 533 . 5 1 1 A 45 45 LEU N N 45 129.261 129.304 -0.043 1
1 534 . 5 1 1 A 46 46 SER H H 46 8.238 8.648 -0.410 1
1 535 . 5 1 1 A 46 46 SER HA H 46 4.441 4.791 -0.350 1
1 538 . 5 1 1 A 46 46 SER C C 46 175.052 175.965 -0.913 1
1 539 . 5 1 1 A 46 46 SER CA C 46 57.744 57.379 0.365 1
1 540 . 5 1 1 A 46 46 SER CB C 46 63.682 64.956 -1.274 1
1 541 . 5 1 1 A 46 46 SER N N 46 116.459 118.217 -1.758 1
1 542 . 5 1 1 A 47 47 GLU H H 47 8.743 9.033 -0.290 1
1 543 . 5 1 1 A 47 47 GLU HA H 47 4.009 4.061 -0.052 1
1 548 . 5 1 1 A 47 47 GLU C C 47 176.054 177.575 -1.521 1
1 549 . 5 1 1 A 47 47 GLU CA C 47 59.307 59.326 -0.019 1
1 550 . 5 1 1 A 47 47 GLU CB C 47 29.619 29.402 0.217 1
1 552 . 5 1 1 A 47 47 GLU N N 47 121.669 121.693 -0.024 1
1 553 . 5 1 1 A 48 48 ALA H H 48 7.738 7.451 0.287 1
1 554 . 5 1 1 A 48 48 ALA HA H 48 4.477 4.434 0.043 1
1 558 . 5 1 1 A 48 48 ALA C C 48 177.267 177.559 -0.292 1
1 559 . 5 1 1 A 48 48 ALA CA C 48 50.873 51.744 -0.871 1
1 560 . 5 1 1 A 48 48 ALA CB C 48 19.000 19.623 -0.623 1
1 561 . 5 1 1 A 48 48 ALA N N 48 117.799 121.014 -3.215 1
1 562 . 5 1 1 A 49 49 ALA H H 49 7.597 7.645 -0.048 1
1 563 . 5 1 1 A 49 49 ALA HA H 49 4.086 4.210 -0.124 1
1 567 . 5 1 1 A 49 49 ALA C C 49 177.104 176.880 0.224 1
1 568 . 5 1 1 A 49 49 ALA CA C 49 52.748 53.245 -0.497 1
1 569 . 5 1 1 A 49 49 ALA CB C 49 19.938 19.132 0.806 1
1 570 . 5 1 1 A 49 49 ALA N N 49 122.785 122.281 0.504 1
1 571 . 5 1 1 A 50 50 GLU H H 50 8.511 8.741 -0.230 1
1 572 . 5 1 1 A 50 50 GLU HA H 50 4.140 4.707 -0.567 1
1 577 . 5 1 1 A 50 50 GLU C C 50 176.054 176.391 -0.337 1
1 578 . 5 1 1 A 50 50 GLU CA C 50 56.807 55.759 1.048 1
1 579 . 5 1 1 A 50 50 GLU CB C 50 30.557 31.007 -0.450 1
1 581 . 5 1 1 A 50 50 GLU N N 50 121.303 124.479 -3.176 1
1 582 . 5 1 1 A 51 51 LEU H H 51 8.047 8.493 -0.446 1
1 583 . 5 1 1 A 51 51 LEU HA H 51 4.501 4.525 -0.024 1
1 593 . 5 1 1 A 51 51 LEU C C 51 174.656 175.943 -1.287 1
1 594 . 5 1 1 A 51 51 LEU CA C 51 53.379 54.454 -1.075 1
1 595 . 5 1 1 A 51 51 LEU CB C 51 42.121 42.526 -0.405 1
1 599 . 5 1 1 A 51 51 LEU N N 51 122.325 127.409 -5.084 1
1 600 . 5 1 1 A 52 52 ASN H H 52 7.424 8.538 -1.114 1
1 601 . 5 1 1 A 52 52 ASN HA H 52 5.067 5.094 -0.027 1
1 606 . 5 1 1 A 52 52 ASN C C 52 173.094 172.695 0.399 1
1 607 . 5 1 1 A 52 52 ASN CA C 52 52.119 52.149 -0.030 1
1 608 . 5 1 1 A 52 52 ASN CB C 52 42.744 42.279 0.465 1
1 609 . 5 1 1 A 52 52 ASN N N 52 115.275 117.137 -1.862 1
1 611 . 5 1 1 A 53 53 ASP H H 53 8.495 8.784 -0.289 1
1 612 . 5 1 1 A 53 53 ASP HA H 53 4.376 4.678 -0.302 1
1 615 . 5 1 1 A 53 53 ASP C C 53 176.544 176.586 -0.042 1
1 616 . 5 1 1 A 53 53 ASP CA C 53 55.869 54.083 1.786 1
1 617 . 5 1 1 A 53 53 ASP CB C 53 41.807 42.002 -0.195 1
1 618 . 5 1 1 A 53 53 ASP N N 53 118.480 121.274 -2.794 1
1 619 . 5 1 1 A 54 54 LYS H H 54 9.479 8.913 0.566 1
1 620 . 5 1 1 A 54 54 LYS HA H 54 3.713 3.766 -0.053 1
1 621 . 5 1 1 A 54 54 LYS C C 54 175.495 175.756 -0.261 1
1 622 . 5 1 1 A 54 54 LYS CA C 54 57.750 56.997 0.753 1
1 623 . 5 1 1 A 54 54 LYS N N 54 119.414 120.967 -1.553 1
1 624 . 5 1 1 A 55 55 MET H H 55 7.665 8.016 -0.351 1
1 625 . 5 1 1 A 55 55 MET HA H 55 4.198 4.696 -0.498 1
1 630 . 5 1 1 A 55 55 MET C C 55 173.746 174.590 -0.844 1
1 631 . 5 1 1 A 55 55 MET CA C 55 57.119 55.248 1.871 1
1 632 . 5 1 1 A 55 55 MET CB C 55 34.932 34.249 0.683 1
1 634 . 5 1 1 A 55 55 MET N N 55 119.804 118.032 1.772 1
1 635 . 5 1 1 A 56 56 VAL H H 56 8.282 8.455 -0.173 1
1 636 . 5 1 1 A 56 56 VAL HA H 56 4.831 4.734 0.097 1
1 644 . 5 1 1 A 56 56 VAL C C 56 176.264 174.690 1.574 1
1 645 . 5 1 1 A 56 56 VAL CA C 56 61.497 61.689 -0.192 1
1 646 . 5 1 1 A 56 56 VAL CB C 56 32.437 34.084 -1.647 1
1 649 . 5 1 1 A 56 56 VAL N N 56 122.814 119.972 2.842 1
1 650 . 5 1 1 A 57 57 ILE H H 57 9.651 9.143 0.508 1
1 651 . 5 1 1 A 57 57 ILE HA H 57 4.644 4.887 -0.243 1
1 661 . 5 1 1 A 57 57 ILE C C 57 173.770 174.418 -0.648 1
1 662 . 5 1 1 A 57 57 ILE CA C 57 59.307 59.989 -0.682 1
1 663 . 5 1 1 A 57 57 ILE CB C 57 41.494 39.821 1.673 1
1 667 . 5 1 1 A 57 57 ILE N N 57 132.467 128.388 4.079 1
1 668 . 5 1 1 A 58 58 ASP H H 58 9.257 8.772 0.485 1
1 669 . 5 1 1 A 58 58 ASP HA H 58 5.173 4.860 0.313 1
1 672 . 5 1 1 A 58 58 ASP C C 58 173.886 174.727 -0.841 1
1 673 . 5 1 1 A 58 58 ASP CA C 58 53.994 52.914 1.080 1
1 674 . 5 1 1 A 58 58 ASP CB C 58 43.682 41.396 2.286 1
1 675 . 5 1 1 A 58 58 ASP N N 58 127.121 128.502 -1.381 1
1 676 . 5 1 1 A 59 59 ALA H H 59 8.424 9.055 -0.631 1
1 677 . 5 1 1 A 59 59 ALA HA H 59 5.335 4.859 0.476 1
1 681 . 5 1 1 A 59 59 ALA C C 59 175.611 175.778 -0.167 1
1 682 . 5 1 1 A 59 59 ALA CA C 59 49.935 50.604 -0.669 1
1 683 . 5 1 1 A 59 59 ALA CB C 59 20.875 20.104 0.771 1
1 684 . 5 1 1 A 59 59 ALA N N 59 125.860 129.722 -3.862 1
1 685 . 5 1 1 A 60 60 PHE H H 60 8.621 9.098 -0.477 1
1 686 . 5 1 1 A 60 60 PHE HA H 60 4.986 5.216 -0.230 1
1 693 . 5 1 1 A 60 60 PHE C C 60 174.469 174.300 0.169 1
1 694 . 5 1 1 A 60 60 PHE CA C 60 55.872 56.281 -0.409 1
1 695 . 5 1 1 A 60 60 PHE CB C 60 41.187 41.619 -0.432 1
1 696 . 5 1 1 A 60 60 PHE N N 60 119.918 126.298 -6.380 1
1 697 . 5 1 1 A 61 61 VAL H H 61 8.648 8.589 0.059 1
1 698 . 5 1 1 A 61 61 VAL HA H 61 4.458 4.484 -0.026 1
1 706 . 5 1 1 A 61 61 VAL CA C 61 59.622 58.476 1.146 1
1 707 . 5 1 1 A 61 61 VAL CB C 61 32.437 32.964 -0.527 1
1 710 . 5 1 1 A 61 61 VAL N N 61 123.408 123.202 0.206 1
1 711 . 5 1 1 A 62 62 PRO HA H 62 4.395 4.537 -0.142 1
1 718 . 5 1 1 A 62 62 PRO C C 62 176.614 176.481 0.133 1
1 719 . 5 1 1 A 62 62 PRO CA C 62 63.057 62.370 0.687 1
1 720 . 5 1 1 A 62 62 PRO CB C 62 32.119 32.541 -0.422 1
1 723 . 5 1 1 A 63 63 ALA H H 63 8.410 8.282 0.128 1
1 724 . 5 1 1 A 63 63 ALA HA H 63 4.281 4.615 -0.334 1
1 728 . 5 1 1 A 63 63 ALA C C 63 177.527 177.319 0.208 1
1 729 . 5 1 1 A 63 63 ALA CA C 63 52.435 51.279 1.156 1
1 730 . 5 1 1 A 63 63 ALA CB C 63 19.000 20.810 -1.810 1
1 731 . 5 1 1 A 63 63 ALA N N 63 124.350 123.479 0.871 1
1 732 . 5 1 1 A 64 64 ASP H H 64 8.264 8.649 -0.385 1
1 733 . 5 1 1 A 64 64 ASP HA H 64 4.571 4.806 -0.235 1
1 736 . 5 1 1 A 64 64 ASP C C 64 176.824 176.381 0.443 1
1 737 . 5 1 1 A 64 64 ASP CA C 64 53.994 54.702 -0.708 1
1 738 . 5 1 1 A 64 64 ASP CB C 64 41.182 40.871 0.311 1
1 739 . 5 1 1 A 64 64 ASP N N 64 118.930 119.943 -1.013 1
1 740 . 5 1 1 A 65 65 GLY H H 65 8.289 8.510 -0.221 1
1 741 . 5 1 1 A 65 65 GLY HA2 H 65 3.906 4.279 -0.373 1
1 742 . 5 1 1 A 65 65 GLY HA3 H 65 3.906 4.283 -0.377 1
1 743 . 5 1 1 A 65 65 GLY C C 65 174.096 172.112 1.984 1
1 744 . 5 1 1 A 65 65 GLY CA C 65 45.249 45.952 -0.703 1
1 745 . 5 1 1 A 65 65 GLY N N 65 109.281 110.258 -0.977 1
1 746 . 5 1 1 A 66 66 ALA H H 66 8.147 8.515 -0.368 1
1 747 . 5 1 1 A 66 66 ALA HA H 66 4.306 5.109 -0.803 1
1 751 . 5 1 1 A 66 66 ALA CA C 66 52.435 51.206 1.229 1
1 752 . 5 1 1 A 66 66 ALA CB C 66 19.000 21.789 -2.789 1
1 753 . 5 1 1 A 66 66 ALA N N 66 123.586 124.860 -1.274 1
1 754 . 5 1 1 A 67 67 GLY H H 67 8.414 8.404 0.010 1
1 755 . 5 1 1 A 67 67 GLY HA2 H 67 3.921 4.144 -0.223 1
1 756 . 5 1 1 A 67 67 GLY HA3 H 67 3.921 4.146 -0.225 1
1 757 . 5 1 1 A 67 67 GLY C C 67 174.306 174.973 -0.667 1
1 758 . 5 1 1 A 67 67 GLY CA C 67 45.561 45.763 -0.202 1
1 759 . 5 1 1 A 67 67 GLY N N 67 108.025 109.418 -1.393 1
1 760 . 5 1 1 A 68 68 LEU H H 68 7.994 8.631 -0.637 1
1 761 . 5 1 1 A 68 68 LEU HA H 68 4.265 4.010 0.255 1
1 771 . 5 1 1 A 68 68 LEU C C 68 177.430 178.406 -0.976 1
1 772 . 5 1 1 A 68 68 LEU CA C 68 54.935 58.164 -3.229 1
1 773 . 5 1 1 A 68 68 LEU CB C 68 42.124 42.024 0.100 1
1 777 . 5 1 1 A 68 68 LEU N N 68 121.101 122.844 -1.743 1
1 16 . 6 1 1 A 2 2 LEU H H 2 9.099 8.282 0.817 1
1 17 . 6 1 1 A 2 2 LEU HA H 2 5.183 4.879 0.304 1
1 26 . 6 1 1 A 2 2 LEU C C 2 176.031 175.131 0.900 1
1 27 . 6 1 1 A 2 2 LEU CA C 2 53.682 54.652 -0.970 1
1 28 . 6 1 1 A 2 2 LEU CB C 2 43.994 43.719 0.275 1
1 31 . 6 1 1 A 2 2 LEU N N 2 125.441 127.882 -2.441 1
1 32 . 6 1 1 A 3 3 VAL H H 3 9.070 8.662 0.408 1
1 33 . 6 1 1 A 3 3 VAL HA H 3 4.720 4.629 0.091 1
1 41 . 6 1 1 A 3 3 VAL C C 3 173.653 174.644 -0.991 1
1 42 . 6 1 1 A 3 3 VAL CA C 3 59.935 61.322 -1.387 1
1 43 . 6 1 1 A 3 3 VAL CB C 3 34.312 35.141 -0.829 1
1 46 . 6 1 1 A 3 3 VAL N N 3 123.079 125.780 -2.701 1
1 47 . 6 1 1 A 4 4 ILE H H 4 8.552 9.188 -0.636 1
1 48 . 6 1 1 A 4 4 ILE HA H 4 4.530 4.673 -0.143 1
1 58 . 6 1 1 A 4 4 ILE C C 4 174.344 175.448 -1.104 1
1 59 . 6 1 1 A 4 4 ILE CA C 4 59.313 60.741 -1.428 1
1 60 . 6 1 1 A 4 4 ILE CB C 4 38.999 37.037 1.962 1
1 64 . 6 1 1 A 4 4 ILE N N 4 124.929 128.771 -3.842 1
1 65 . 6 1 1 A 5 5 VAL H H 5 8.911 8.532 0.379 1
1 66 . 6 1 1 A 5 5 VAL HA H 5 4.968 4.532 0.436 1
1 74 . 6 1 1 A 5 5 VAL C C 5 174.722 175.374 -0.652 1
1 75 . 6 1 1 A 5 5 VAL CA C 5 60.247 62.632 -2.385 1
1 76 . 6 1 1 A 5 5 VAL CB C 5 33.369 32.327 1.042 1
1 79 . 6 1 1 A 5 5 VAL N N 5 127.032 128.410 -1.378 1
1 80 . 6 1 1 A 6 6 ARG H H 6 9.417 8.856 0.561 1
1 81 . 6 1 1 A 6 6 ARG HA H 6 4.945 4.684 0.261 1
1 89 . 6 1 1 A 6 6 ARG C C 6 174.662 175.543 -0.881 1
1 90 . 6 1 1 A 6 6 ARG CA C 6 55.557 55.725 -0.168 1
1 91 . 6 1 1 A 6 6 ARG CB C 6 30.557 31.080 -0.523 1
1 94 . 6 1 1 A 6 6 ARG N N 6 127.895 127.610 0.285 1
1 96 . 6 1 1 A 7 7 LEU H H 7 8.368 8.891 -0.523 1
1 97 . 6 1 1 A 7 7 LEU HA H 7 4.761 4.496 0.265 1
1 107 . 6 1 1 A 7 7 LEU C C 7 175.869 178.093 -2.224 1
1 108 . 6 1 1 A 7 7 LEU CA C 7 53.682 54.211 -0.529 1
1 109 . 6 1 1 A 7 7 LEU CB C 7 43.994 42.127 1.867 1
1 112 . 6 1 1 A 7 7 LEU N N 7 127.357 126.392 0.965 1
1 113 . 6 1 1 A 8 8 GLN H H 8 9.244 8.778 0.466 1
1 114 . 6 1 1 A 8 8 GLN HA H 8 3.825 3.869 -0.044 1
1 119 . 6 1 1 A 8 8 GLN C C 8 175.478 175.931 -0.453 1
1 120 . 6 1 1 A 8 8 GLN CA C 8 58.372 59.375 -1.003 1
1 121 . 6 1 1 A 8 8 GLN CB C 8 27.125 28.818 -1.693 1
1 123 . 6 1 1 A 8 8 GLN N N 8 123.025 123.193 -0.168 1
1 124 . 6 1 1 A 9 9 ASP H H 9 8.622 8.148 0.474 1
1 125 . 6 1 1 A 9 9 ASP HA H 9 4.609 4.764 -0.155 1
1 128 . 6 1 1 A 9 9 ASP C C 9 175.352 174.457 0.895 1
1 129 . 6 1 1 A 9 9 ASP CA C 9 54.619 53.525 1.094 1
1 130 . 6 1 1 A 9 9 ASP CB C 9 40.576 41.494 -0.918 1
1 131 . 6 1 1 A 9 9 ASP N N 9 117.207 117.379 -0.172 1
1 132 . 6 1 1 A 10 10 GLN H H 10 7.972 7.542 0.430 1
1 133 . 6 1 1 A 10 10 GLN HA H 10 4.644 4.938 -0.294 1
1 138 . 6 1 1 A 10 10 GLN C C 10 174.812 174.643 0.169 1
1 139 . 6 1 1 A 10 10 GLN CA C 10 54.932 54.585 0.347 1
1 140 . 6 1 1 A 10 10 GLN CB C 10 31.807 33.579 -1.772 1
1 142 . 6 1 1 A 10 10 GLN N N 10 118.451 116.280 2.171 1
1 143 . 6 1 1 A 11 11 THR H H 11 8.593 8.572 0.021 1
1 144 . 6 1 1 A 11 11 THR HA H 11 4.874 5.229 -0.355 1
1 149 . 6 1 1 A 11 11 THR C C 11 173.521 173.489 0.032 1
1 150 . 6 1 1 A 11 11 THR CA C 11 61.810 61.743 0.067 1
1 151 . 6 1 1 A 11 11 THR CB C 11 69.934 71.329 -1.395 1
1 153 . 6 1 1 A 11 11 THR N N 11 118.464 116.335 2.129 1
1 154 . 6 1 1 A 12 12 LEU H H 12 9.554 8.868 0.686 1
1 155 . 6 1 1 A 12 12 LEU HA H 12 4.872 4.835 0.037 1
1 164 . 6 1 1 A 12 12 LEU CA C 12 51.494 51.119 0.375 1
1 165 . 6 1 1 A 12 12 LEU CB C 12 44.932 45.554 -0.622 1
1 168 . 6 1 1 A 12 12 LEU N N 12 128.567 126.466 2.101 1
1 169 . 6 1 1 A 13 13 PRO HA H 13 5.141 4.784 0.357 1
1 176 . 6 1 1 A 13 13 PRO C C 13 176.800 175.404 1.396 1
1 177 . 6 1 1 A 13 13 PRO CA C 13 60.869 62.417 -1.548 1
1 178 . 6 1 1 A 13 13 PRO CB C 13 32.119 33.300 -1.181 1
1 181 . 6 1 1 A 14 14 PHE H H 14 9.302 8.561 0.741 1
1 182 . 6 1 1 A 14 14 PHE HA H 14 4.622 4.962 -0.340 1
1 189 . 6 1 1 A 14 14 PHE C C 14 173.677 174.436 -0.759 1
1 190 . 6 1 1 A 14 14 PHE CA C 14 57.747 56.150 1.597 1
1 191 . 6 1 1 A 14 14 PHE CB C 14 42.749 42.514 0.235 1
1 192 . 6 1 1 A 14 14 PHE N N 14 121.778 120.307 1.471 1
1 193 . 6 1 1 A 15 15 GLU H H 15 8.516 8.871 -0.355 1
1 194 . 6 1 1 A 15 15 GLU HA H 15 5.260 4.737 0.523 1
1 199 . 6 1 1 A 15 15 GLU C C 15 175.821 175.558 0.263 1
1 200 . 6 1 1 A 15 15 GLU CA C 15 54.932 56.343 -1.411 1
1 201 . 6 1 1 A 15 15 GLU CB C 15 30.244 30.599 -0.355 1
1 203 . 6 1 1 A 15 15 GLU N N 15 123.002 124.234 -1.232 1
1 204 . 6 1 1 A 16 16 LEU H H 16 8.937 8.636 0.301 1
1 205 . 6 1 1 A 16 16 LEU HA H 16 4.952 4.835 0.117 1
1 215 . 6 1 1 A 16 16 LEU CA C 16 51.494 51.645 -0.151 1
1 216 . 6 1 1 A 16 16 LEU CB C 16 44.941 44.407 0.534 1
1 220 . 6 1 1 A 16 16 LEU N N 16 126.803 128.900 -2.097 1
1 221 . 6 1 1 A 17 17 PRO HA H 17 4.547 4.616 -0.069 1
1 228 . 6 1 1 A 17 17 PRO C C 17 175.472 176.201 -0.729 1
1 229 . 6 1 1 A 17 17 PRO CA C 17 62.119 62.337 -0.218 1
1 230 . 6 1 1 A 17 17 PRO CB C 17 32.119 32.645 -0.526 1
1 233 . 6 1 1 A 18 18 ALA H H 18 7.892 8.258 -0.366 1
1 234 . 6 1 1 A 18 18 ALA HA H 18 4.065 3.955 0.110 1
1 238 . 6 1 1 A 18 18 ALA C C 18 178.735 178.399 0.336 1
1 239 . 6 1 1 A 18 18 ALA CA C 18 53.060 53.824 -0.764 1
1 240 . 6 1 1 A 18 18 ALA CB C 18 18.063 18.420 -0.357 1
1 241 . 6 1 1 A 18 18 ALA N N 18 121.997 124.859 -2.862 1
1 242 . 6 1 1 A 19 19 GLY H H 19 8.519 8.987 -0.468 1
1 243 . 6 1 1 A 19 19 GLY HA2 H 19 3.754 3.921 -0.167 1
1 244 . 6 1 1 A 19 19 GLY HA3 H 19 4.066 3.922 0.144 1
1 245 . 6 1 1 A 19 19 GLY C C 19 174.376 174.445 -0.069 1
1 246 . 6 1 1 A 19 19 GLY CA C 19 44.625 45.484 -0.859 1
1 247 . 6 1 1 A 19 19 GLY N N 19 110.335 110.765 -0.430 1
1 248 . 6 1 1 A 20 20 ALA H H 20 7.459 7.731 -0.272 1
1 249 . 6 1 1 A 20 20 ALA HA H 20 4.210 4.291 -0.081 1
1 253 . 6 1 1 A 20 20 ALA C C 20 176.171 178.106 -1.935 1
1 254 . 6 1 1 A 20 20 ALA CA C 20 52.751 52.549 0.202 1
1 255 . 6 1 1 A 20 20 ALA CB C 20 20.563 19.519 1.044 1
1 256 . 6 1 1 A 20 20 ALA N N 20 121.746 123.641 -1.895 1
1 257 . 6 1 1 A 21 21 ARG H H 21 8.148 8.148 0.000 1
1 258 . 6 1 1 A 21 21 ARG HA H 21 5.132 4.719 0.413 1
1 265 . 6 1 1 A 21 21 ARG C C 21 178.292 177.515 0.777 1
1 266 . 6 1 1 A 21 21 ARG CA C 21 53.369 53.830 -0.461 1
1 267 . 6 1 1 A 21 21 ARG CB C 21 32.921 32.073 0.848 1
1 270 . 6 1 1 A 21 21 ARG N N 21 118.121 120.829 -2.708 1
1 271 . 6 1 1 A 22 22 ALA H H 22 8.867 8.384 0.483 1
1 272 . 6 1 1 A 22 22 ALA HA H 22 3.799 3.925 -0.126 1
1 276 . 6 1 1 A 22 22 ALA C C 22 178.735 179.555 -0.820 1
1 277 . 6 1 1 A 22 22 ALA CA C 22 55.872 55.035 0.837 1
1 278 . 6 1 1 A 22 22 ALA CB C 22 18.375 18.363 0.012 1
1 279 . 6 1 1 A 22 22 ALA N N 22 123.186 122.171 1.015 1
1 280 . 6 1 1 A 23 23 SER H H 23 8.383 8.034 0.349 1
1 281 . 6 1 1 A 23 23 SER HA H 23 4.205 4.163 0.042 1
1 284 . 6 1 1 A 23 23 SER C C 23 176.754 177.323 -0.569 1
1 285 . 6 1 1 A 23 23 SER CA C 23 60.557 61.255 -0.698 1
1 286 . 6 1 1 A 23 23 SER CB C 23 61.807 63.160 -1.353 1
1 287 . 6 1 1 A 23 23 SER N N 23 111.612 113.704 -2.092 1
1 288 . 6 1 1 A 24 24 GLN H H 24 7.744 8.082 -0.338 1
1 289 . 6 1 1 A 24 24 GLN HA H 24 4.173 3.912 0.261 1
1 294 . 6 1 1 A 24 24 GLN C C 24 178.689 178.010 0.679 1
1 295 . 6 1 1 A 24 24 GLN CA C 24 58.682 59.187 -0.505 1
1 296 . 6 1 1 A 24 24 GLN CB C 24 28.682 28.096 0.586 1
1 298 . 6 1 1 A 24 24 GLN N N 24 121.537 120.720 0.817 1
1 299 . 6 1 1 A 25 25 LEU H H 25 7.199 7.882 -0.683 1
1 300 . 6 1 1 A 25 25 LEU HA H 25 3.970 3.984 -0.014 1
1 310 . 6 1 1 A 25 25 LEU C C 25 177.966 178.481 -0.515 1
1 311 . 6 1 1 A 25 25 LEU CA C 25 56.810 58.055 -1.245 1
1 312 . 6 1 1 A 25 25 LEU CB C 25 41.494 41.383 0.111 1
1 316 . 6 1 1 A 25 25 LEU N N 25 119.709 122.093 -2.384 1
1 317 . 6 1 1 A 26 26 SER H H 26 8.650 8.014 0.636 1
1 318 . 6 1 1 A 26 26 SER HA H 26 3.970 3.999 -0.029 1
1 321 . 6 1 1 A 26 26 SER C C 26 176.917 176.101 0.816 1
1 322 . 6 1 1 A 26 26 SER CA C 26 62.744 62.143 0.601 1
1 323 . 6 1 1 A 26 26 SER CB C 26 62.119 62.959 -0.840 1
1 324 . 6 1 1 A 26 26 SER N N 26 114.988 115.787 -0.799 1
1 325 . 6 1 1 A 27 27 ASN H H 27 7.876 7.778 0.098 1
1 326 . 6 1 1 A 27 27 ASN HA H 27 4.517 4.435 0.082 1
1 329 . 6 1 1 A 27 27 ASN C C 27 177.197 177.690 -0.493 1
1 330 . 6 1 1 A 27 27 ASN CA C 27 55.869 56.760 -0.891 1
1 331 . 6 1 1 A 27 27 ASN CB C 27 38.369 39.023 -0.654 1
1 332 . 6 1 1 A 27 27 ASN N N 27 118.197 119.884 -1.687 1
1 333 . 6 1 1 A 28 28 LEU H H 28 7.433 7.976 -0.543 1
1 334 . 6 1 1 A 28 28 LEU HA H 28 4.219 3.898 0.321 1
1 344 . 6 1 1 A 28 28 LEU C C 28 179.411 178.962 0.449 1
1 345 . 6 1 1 A 28 28 LEU CA C 28 57.122 57.810 -0.688 1
1 346 . 6 1 1 A 28 28 LEU CB C 28 41.984 42.020 -0.036 1
1 350 . 6 1 1 A 28 28 LEU N N 28 120.223 119.942 0.281 1
1 351 . 6 1 1 A 29 29 LEU H H 29 7.866 8.049 -0.183 1
1 352 . 6 1 1 A 29 29 LEU HA H 29 4.091 3.701 0.390 1
1 362 . 6 1 1 A 29 29 LEU C C 29 178.386 178.963 -0.577 1
1 363 . 6 1 1 A 29 29 LEU CA C 29 56.497 57.812 -1.315 1
1 364 . 6 1 1 A 29 29 LEU CB C 29 42.124 40.913 1.211 1
1 368 . 6 1 1 A 29 29 LEU N N 29 119.017 118.395 0.622 1
1 369 . 6 1 1 A 30 30 SER H H 30 8.117 7.997 0.120 1
1 370 . 6 1 1 A 30 30 SER HA H 30 4.615 4.008 0.607 1
1 373 . 6 1 1 A 30 30 SER C C 30 175.145 177.102 -1.957 1
1 374 . 6 1 1 A 30 30 SER CA C 30 59.932 60.925 -0.993 1
1 375 . 6 1 1 A 30 30 SER CB C 30 63.057 63.182 -0.125 1
1 376 . 6 1 1 A 30 30 SER N N 30 114.044 114.461 -0.417 1
1 377 . 6 1 1 A 31 31 SER H H 31 8.084 7.888 0.196 1
1 378 . 6 1 1 A 31 31 SER HA H 31 4.535 4.144 0.391 1
1 381 . 6 1 1 A 31 31 SER CA C 31 58.994 61.792 -2.798 1
1 382 . 6 1 1 A 31 31 SER CB C 31 63.682 63.370 0.312 1
1 383 . 6 1 1 A 31 31 SER N N 31 115.938 115.484 0.454 1
1 384 . 6 1 1 A 32 32 SER HA H 32 4.547 4.740 -0.193 1
1 387 . 6 1 1 A 32 32 SER CA C 32 58.682 56.910 1.772 1
1 388 . 6 1 1 A 32 32 SER CB C 32 63.369 66.253 -2.884 1
1 389 . 6 1 1 A 33 33 GLY H H 33 8.080 8.759 -0.679 1
1 390 . 6 1 1 A 33 33 GLY HA2 H 33 3.786 3.892 -0.106 1
1 391 . 6 1 1 A 33 33 GLY HA3 H 33 4.160 3.898 0.262 1
1 392 . 6 1 1 A 33 33 GLY C C 33 173.746 174.406 -0.660 1
1 393 . 6 1 1 A 33 33 GLY CA C 33 45.561 46.858 -1.297 1
1 394 . 6 1 1 A 33 33 GLY N N 33 109.530 113.580 -4.050 1
1 395 . 6 1 1 A 34 34 MET H H 34 7.781 8.458 -0.677 1
1 396 . 6 1 1 A 34 34 MET HA H 34 4.371 4.205 0.166 1
1 401 . 6 1 1 A 34 34 MET C C 34 174.073 174.131 -0.058 1
1 402 . 6 1 1 A 34 34 MET CA C 34 54.619 57.699 -3.080 1
1 403 . 6 1 1 A 34 34 MET CB C 34 33.994 31.426 2.568 1
1 405 . 6 1 1 A 34 34 MET N N 34 119.527 110.832 8.695 1
1 406 . 6 1 1 A 35 35 ALA H H 35 7.956 8.344 -0.388 1
1 407 . 6 1 1 A 35 35 ALA HA H 35 4.374 4.579 -0.205 1
1 411 . 6 1 1 A 35 35 ALA C C 35 175.915 175.334 0.581 1
1 412 . 6 1 1 A 35 35 ALA CA C 35 51.185 51.294 -0.109 1
1 413 . 6 1 1 A 35 35 ALA CB C 35 19.000 20.363 -1.363 1
1 414 . 6 1 1 A 35 35 ALA N N 35 125.314 121.166 4.148 1
1 415 . 6 1 1 A 36 36 PHE H H 36 7.838 7.904 -0.066 1
1 416 . 6 1 1 A 36 36 PHE HA H 36 4.858 5.331 -0.473 1
1 424 . 6 1 1 A 36 36 PHE C C 36 175.868 173.787 2.081 1
1 425 . 6 1 1 A 36 36 PHE CA C 36 57.122 54.945 2.177 1
1 426 . 6 1 1 A 36 36 PHE CB C 36 41.812 41.668 0.144 1
1 427 . 6 1 1 A 36 36 PHE N N 36 117.347 120.080 -2.733 1
1 428 . 6 1 1 A 37 37 SER H H 37 8.943 8.360 0.583 1
1 429 . 6 1 1 A 37 37 SER HA H 37 4.623 4.811 -0.188 1
1 432 . 6 1 1 A 37 37 SER C C 37 173.490 174.403 -0.913 1
1 433 . 6 1 1 A 37 37 SER CA C 37 57.432 58.809 -1.377 1
1 434 . 6 1 1 A 37 37 SER CB C 37 63.994 64.154 -0.160 1
1 435 . 6 1 1 A 37 37 SER N N 37 117.034 116.433 0.601 1
1 436 . 6 1 1 A 38 38 LEU H H 38 8.787 8.879 -0.092 1
1 437 . 6 1 1 A 38 38 LEU HA H 38 5.072 5.123 -0.051 1
1 447 . 6 1 1 A 38 38 LEU C C 38 175.467 175.812 -0.345 1
1 448 . 6 1 1 A 38 38 LEU CA C 38 53.994 53.769 0.225 1
1 449 . 6 1 1 A 38 38 LEU CB C 38 43.057 43.713 -0.656 1
1 453 . 6 1 1 A 38 38 LEU N N 38 124.534 124.001 0.533 1
1 454 . 6 1 1 A 39 39 HIS H H 39 9.132 8.858 0.274 1
1 455 . 6 1 1 A 39 39 HIS HA H 39 5.434 5.956 -0.522 1
1 458 . 6 1 1 A 39 39 HIS C C 39 174.656 173.027 1.629 1
1 459 . 6 1 1 A 39 39 HIS CA C 39 53.994 53.345 0.649 1
1 460 . 6 1 1 A 39 39 HIS CB C 39 35.869 33.466 2.403 1
1 461 . 6 1 1 A 39 39 HIS N N 39 121.803 121.317 0.486 1
1 462 . 6 1 1 A 40 40 THR H H 40 9.101 8.928 0.173 1
1 463 . 6 1 1 A 40 40 THR HA H 40 4.947 4.814 0.133 1
1 468 . 6 1 1 A 40 40 THR C C 40 173.373 173.922 -0.549 1
1 469 . 6 1 1 A 40 40 THR CA C 40 60.872 59.946 0.926 1
1 470 . 6 1 1 A 40 40 THR CB C 40 69.934 71.888 -1.954 1
1 472 . 6 1 1 A 40 40 THR N N 40 114.826 114.622 0.204 1
1 473 . 6 1 1 A 41 41 GLN H H 41 9.462 9.453 0.009 1
1 474 . 6 1 1 A 41 41 GLN HA H 41 3.967 4.057 -0.090 1
1 479 . 6 1 1 A 41 41 GLN C C 41 176.031 175.818 0.213 1
1 480 . 6 1 1 A 41 41 GLN CA C 41 56.809 57.109 -0.300 1
1 481 . 6 1 1 A 41 41 GLN CB C 41 27.119 27.083 0.036 1
1 483 . 6 1 1 A 41 41 GLN N N 41 125.458 127.253 -1.795 1
1 484 . 6 1 1 A 42 42 GLY H H 42 9.114 8.703 0.411 1
1 485 . 6 1 1 A 42 42 GLY HA2 H 42 3.681 3.864 -0.183 1
1 486 . 6 1 1 A 42 42 GLY HA3 H 42 4.177 3.918 0.259 1
1 487 . 6 1 1 A 42 42 GLY C C 42 173.977 173.895 0.082 1
1 488 . 6 1 1 A 42 42 GLY CA C 42 45.557 45.517 0.040 1
1 489 . 6 1 1 A 42 42 GLY N N 42 105.029 104.701 0.328 1
1 490 . 6 1 1 A 43 43 ARG H H 43 8.140 7.995 0.145 1
1 491 . 6 1 1 A 43 43 ARG HA H 43 4.725 4.810 -0.085 1
1 498 . 6 1 1 A 43 43 ARG CA C 43 53.994 54.640 -0.646 1
1 499 . 6 1 1 A 43 43 ARG CB C 43 32.744 32.944 -0.200 1
1 502 . 6 1 1 A 43 43 ARG N N 43 121.025 117.570 3.455 1
1 503 . 6 1 1 A 44 44 VAL HA H 44 3.819 4.229 -0.410 1
1 511 . 6 1 1 A 44 44 VAL C C 44 176.124 176.050 0.074 1
1 512 . 6 1 1 A 44 44 VAL CA C 44 62.747 62.948 -0.201 1
1 513 . 6 1 1 A 44 44 VAL CB C 44 32.125 32.071 0.054 1
1 516 . 6 1 1 A 45 45 LEU H H 45 8.513 8.139 0.374 1
1 517 . 6 1 1 A 45 45 LEU HA H 45 4.388 4.609 -0.221 1
1 527 . 6 1 1 A 45 45 LEU C C 45 177.197 177.711 -0.514 1
1 528 . 6 1 1 A 45 45 LEU CA C 45 53.682 54.095 -0.413 1
1 529 . 6 1 1 A 45 45 LEU CB C 45 42.437 42.854 -0.417 1
1 533 . 6 1 1 A 45 45 LEU N N 45 129.261 129.022 0.239 1
1 534 . 6 1 1 A 46 46 SER H H 46 8.238 8.778 -0.540 1
1 535 . 6 1 1 A 46 46 SER HA H 46 4.441 4.850 -0.409 1
1 538 . 6 1 1 A 46 46 SER C C 46 175.052 175.935 -0.883 1
1 539 . 6 1 1 A 46 46 SER CA C 46 57.744 57.142 0.602 1
1 540 . 6 1 1 A 46 46 SER CB C 46 63.682 65.458 -1.776 1
1 541 . 6 1 1 A 46 46 SER N N 46 116.459 118.499 -2.040 1
1 542 . 6 1 1 A 47 47 GLU H H 47 8.743 9.105 -0.362 1
1 543 . 6 1 1 A 47 47 GLU HA H 47 4.009 4.059 -0.050 1
1 548 . 6 1 1 A 47 47 GLU C C 47 176.054 177.336 -1.282 1
1 549 . 6 1 1 A 47 47 GLU CA C 47 59.307 59.348 -0.041 1
1 550 . 6 1 1 A 47 47 GLU CB C 47 29.619 29.363 0.256 1
1 552 . 6 1 1 A 47 47 GLU N N 47 121.669 121.233 0.436 1
1 553 . 6 1 1 A 48 48 ALA H H 48 7.738 7.409 0.329 1
1 554 . 6 1 1 A 48 48 ALA HA H 48 4.477 4.484 -0.007 1
1 558 . 6 1 1 A 48 48 ALA C C 48 177.267 177.167 0.100 1
1 559 . 6 1 1 A 48 48 ALA CA C 48 50.873 51.418 -0.545 1
1 560 . 6 1 1 A 48 48 ALA CB C 48 19.000 19.503 -0.503 1
1 561 . 6 1 1 A 48 48 ALA N N 48 117.799 120.932 -3.133 1
1 562 . 6 1 1 A 49 49 ALA H H 49 7.597 7.513 0.084 1
1 563 . 6 1 1 A 49 49 ALA HA H 49 4.086 4.237 -0.151 1
1 567 . 6 1 1 A 49 49 ALA C C 49 177.104 176.918 0.186 1
1 568 . 6 1 1 A 49 49 ALA CA C 49 52.748 53.054 -0.306 1
1 569 . 6 1 1 A 49 49 ALA CB C 49 19.938 19.122 0.816 1
1 570 . 6 1 1 A 49 49 ALA N N 49 122.785 122.251 0.534 1
1 571 . 6 1 1 A 50 50 GLU H H 50 8.511 8.630 -0.119 1
1 572 . 6 1 1 A 50 50 GLU HA H 50 4.140 5.046 -0.906 1
1 577 . 6 1 1 A 50 50 GLU C C 50 176.054 175.231 0.823 1
1 578 . 6 1 1 A 50 50 GLU CA C 50 56.807 54.888 1.919 1
1 579 . 6 1 1 A 50 50 GLU CB C 50 30.557 33.037 -2.480 1
1 581 . 6 1 1 A 50 50 GLU N N 50 121.303 122.281 -0.978 1
1 582 . 6 1 1 A 51 51 LEU H H 51 8.047 9.056 -1.009 1
1 583 . 6 1 1 A 51 51 LEU HA H 51 4.501 4.978 -0.477 1
1 593 . 6 1 1 A 51 51 LEU C C 51 174.656 175.364 -0.708 1
1 594 . 6 1 1 A 51 51 LEU CA C 51 53.379 53.555 -0.176 1
1 595 . 6 1 1 A 51 51 LEU CB C 51 42.121 43.328 -1.207 1
1 599 . 6 1 1 A 51 51 LEU N N 51 122.325 128.423 -6.098 1
1 600 . 6 1 1 A 52 52 ASN H H 52 7.424 8.756 -1.332 1
1 601 . 6 1 1 A 52 52 ASN HA H 52 5.067 5.288 -0.221 1
1 606 . 6 1 1 A 52 52 ASN C C 52 173.094 173.158 -0.064 1
1 607 . 6 1 1 A 52 52 ASN CA C 52 52.119 51.780 0.339 1
1 608 . 6 1 1 A 52 52 ASN CB C 52 42.744 42.587 0.157 1
1 609 . 6 1 1 A 52 52 ASN N N 52 115.275 117.652 -2.377 1
1 611 . 6 1 1 A 53 53 ASP H H 53 8.495 8.684 -0.189 1
1 612 . 6 1 1 A 53 53 ASP HA H 53 4.376 4.238 0.138 1
1 615 . 6 1 1 A 53 53 ASP C C 53 176.544 177.062 -0.518 1
1 616 . 6 1 1 A 53 53 ASP CA C 53 55.869 55.483 0.386 1
1 617 . 6 1 1 A 53 53 ASP CB C 53 41.807 40.571 1.236 1
1 618 . 6 1 1 A 53 53 ASP N N 53 118.480 123.566 -5.086 1
1 619 . 6 1 1 A 54 54 LYS H H 54 9.479 8.870 0.609 1
1 620 . 6 1 1 A 54 54 LYS HA H 54 3.713 3.926 -0.213 1
1 621 . 6 1 1 A 54 54 LYS C C 54 175.495 175.679 -0.184 1
1 622 . 6 1 1 A 54 54 LYS CA C 54 57.750 57.273 0.477 1
1 623 . 6 1 1 A 54 54 LYS N N 54 119.414 124.814 -5.400 1
1 624 . 6 1 1 A 55 55 MET H H 55 7.665 7.933 -0.268 1
1 625 . 6 1 1 A 55 55 MET HA H 55 4.198 4.652 -0.454 1
1 630 . 6 1 1 A 55 55 MET C C 55 173.746 175.005 -1.259 1
1 631 . 6 1 1 A 55 55 MET CA C 55 57.119 54.659 2.460 1
1 632 . 6 1 1 A 55 55 MET CB C 55 34.932 34.572 0.360 1
1 634 . 6 1 1 A 55 55 MET N N 55 119.804 115.628 4.176 1
1 635 . 6 1 1 A 56 56 VAL H H 56 8.282 8.509 -0.227 1
1 636 . 6 1 1 A 56 56 VAL HA H 56 4.831 4.799 0.032 1
1 644 . 6 1 1 A 56 56 VAL C C 56 176.264 174.535 1.729 1
1 645 . 6 1 1 A 56 56 VAL CA C 56 61.497 61.389 0.108 1
1 646 . 6 1 1 A 56 56 VAL CB C 56 32.437 35.079 -2.642 1
1 649 . 6 1 1 A 56 56 VAL N N 56 122.814 118.287 4.527 1
1 650 . 6 1 1 A 57 57 ILE H H 57 9.651 9.179 0.472 1
1 651 . 6 1 1 A 57 57 ILE HA H 57 4.644 4.931 -0.287 1
1 661 . 6 1 1 A 57 57 ILE C C 57 173.770 173.703 0.067 1
1 662 . 6 1 1 A 57 57 ILE CA C 57 59.307 59.688 -0.381 1
1 663 . 6 1 1 A 57 57 ILE CB C 57 41.494 41.336 0.158 1
1 667 . 6 1 1 A 57 57 ILE N N 57 132.467 126.783 5.684 1
1 668 . 6 1 1 A 58 58 ASP H H 58 9.257 8.799 0.458 1
1 669 . 6 1 1 A 58 58 ASP HA H 58 5.173 5.129 0.044 1
1 672 . 6 1 1 A 58 58 ASP C C 58 173.886 174.732 -0.846 1
1 673 . 6 1 1 A 58 58 ASP CA C 58 53.994 52.609 1.385 1
1 674 . 6 1 1 A 58 58 ASP CB C 58 43.682 42.430 1.252 1
1 675 . 6 1 1 A 58 58 ASP N N 58 127.121 127.838 -0.717 1
1 676 . 6 1 1 A 59 59 ALA H H 59 8.424 8.860 -0.436 1
1 677 . 6 1 1 A 59 59 ALA HA H 59 5.335 5.064 0.271 1
1 681 . 6 1 1 A 59 59 ALA C C 59 175.611 176.085 -0.474 1
1 682 . 6 1 1 A 59 59 ALA CA C 59 49.935 51.245 -1.310 1
1 683 . 6 1 1 A 59 59 ALA CB C 59 20.875 19.873 1.002 1
1 684 . 6 1 1 A 59 59 ALA N N 59 125.860 129.063 -3.203 1
1 685 . 6 1 1 A 60 60 PHE H H 60 8.621 9.322 -0.701 1
1 686 . 6 1 1 A 60 60 PHE HA H 60 4.986 5.244 -0.258 1
1 693 . 6 1 1 A 60 60 PHE C C 60 174.469 174.354 0.115 1
1 694 . 6 1 1 A 60 60 PHE CA C 60 55.872 56.418 -0.546 1
1 695 . 6 1 1 A 60 60 PHE CB C 60 41.187 41.671 -0.484 1
1 696 . 6 1 1 A 60 60 PHE N N 60 119.918 126.049 -6.131 1
1 697 . 6 1 1 A 61 61 VAL H H 61 8.648 8.597 0.051 1
1 698 . 6 1 1 A 61 61 VAL HA H 61 4.458 4.455 0.003 1
1 706 . 6 1 1 A 61 61 VAL CA C 61 59.622 58.598 1.024 1
1 707 . 6 1 1 A 61 61 VAL CB C 61 32.437 33.010 -0.573 1
1 710 . 6 1 1 A 61 61 VAL N N 61 123.408 123.138 0.270 1
1 711 . 6 1 1 A 62 62 PRO HA H 62 4.395 4.456 -0.061 1
1 718 . 6 1 1 A 62 62 PRO C C 62 176.614 176.946 -0.332 1
1 719 . 6 1 1 A 62 62 PRO CA C 62 63.057 62.473 0.584 1
1 720 . 6 1 1 A 62 62 PRO CB C 62 32.119 32.212 -0.093 1
1 723 . 6 1 1 A 63 63 ALA H H 63 8.410 8.352 0.058 1
1 724 . 6 1 1 A 63 63 ALA HA H 63 4.281 4.321 -0.040 1
1 728 . 6 1 1 A 63 63 ALA C C 63 177.527 177.423 0.104 1
1 729 . 6 1 1 A 63 63 ALA CA C 63 52.435 52.830 -0.395 1
1 730 . 6 1 1 A 63 63 ALA CB C 63 19.000 19.180 -0.180 1
1 731 . 6 1 1 A 63 63 ALA N N 63 124.350 124.422 -0.072 1
1 732 . 6 1 1 A 64 64 ASP H H 64 8.264 8.827 -0.563 1
1 733 . 6 1 1 A 64 64 ASP HA H 64 4.571 4.502 0.069 1
1 736 . 6 1 1 A 64 64 ASP C C 64 176.824 176.583 0.241 1
1 737 . 6 1 1 A 64 64 ASP CA C 64 53.994 55.629 -1.635 1
1 738 . 6 1 1 A 64 64 ASP CB C 64 41.182 39.992 1.190 1
1 739 . 6 1 1 A 64 64 ASP N N 64 118.930 120.915 -1.985 1
1 740 . 6 1 1 A 65 65 GLY H H 65 8.289 8.524 -0.235 1
1 741 . 6 1 1 A 65 65 GLY HA2 H 65 3.906 4.185 -0.279 1
1 742 . 6 1 1 A 65 65 GLY HA3 H 65 3.906 4.187 -0.281 1
1 743 . 6 1 1 A 65 65 GLY C C 65 174.096 173.804 0.292 1
1 744 . 6 1 1 A 65 65 GLY CA C 65 45.249 44.642 0.607 1
1 745 . 6 1 1 A 65 65 GLY N N 65 109.281 110.512 -1.231 1
1 746 . 6 1 1 A 66 66 ALA H H 66 8.147 8.218 -0.071 1
1 747 . 6 1 1 A 66 66 ALA HA H 66 4.306 4.535 -0.229 1
1 751 . 6 1 1 A 66 66 ALA CA C 66 52.435 51.143 1.292 1
1 752 . 6 1 1 A 66 66 ALA CB C 66 19.000 19.784 -0.784 1
1 753 . 6 1 1 A 66 66 ALA N N 66 123.586 122.975 0.611 1
1 754 . 6 1 1 A 67 67 GLY H H 67 8.414 7.954 0.460 1
1 755 . 6 1 1 A 67 67 GLY HA2 H 67 3.921 4.003 -0.082 1
1 756 . 6 1 1 A 67 67 GLY HA3 H 67 3.921 4.003 -0.082 1
1 757 . 6 1 1 A 67 67 GLY C C 67 174.306 175.212 -0.906 1
1 758 . 6 1 1 A 67 67 GLY CA C 67 45.561 46.446 -0.885 1
1 759 . 6 1 1 A 67 67 GLY N N 67 108.025 107.039 0.986 1
1 760 . 6 1 1 A 68 68 LEU H H 68 7.994 8.024 -0.030 1
1 761 . 6 1 1 A 68 68 LEU HA H 68 4.265 3.953 0.312 1
1 771 . 6 1 1 A 68 68 LEU C C 68 177.430 178.594 -1.164 1
1 772 . 6 1 1 A 68 68 LEU CA C 68 54.935 58.154 -3.219 1
1 773 . 6 1 1 A 68 68 LEU CB C 68 42.124 42.175 -0.051 1
1 777 . 6 1 1 A 68 68 LEU N N 68 121.101 121.495 -0.394 1
1 16 . 7 1 1 A 2 2 LEU H H 2 9.099 8.519 0.580 1
1 17 . 7 1 1 A 2 2 LEU HA H 2 5.183 4.907 0.276 1
1 26 . 7 1 1 A 2 2 LEU C C 2 176.031 175.825 0.206 1
1 27 . 7 1 1 A 2 2 LEU CA C 2 53.682 54.547 -0.865 1
1 28 . 7 1 1 A 2 2 LEU CB C 2 43.994 43.264 0.730 1
1 31 . 7 1 1 A 2 2 LEU N N 2 125.441 126.602 -1.161 1
1 32 . 7 1 1 A 3 3 VAL H H 3 9.070 8.837 0.233 1
1 33 . 7 1 1 A 3 3 VAL HA H 3 4.720 4.793 -0.073 1
1 41 . 7 1 1 A 3 3 VAL C C 3 173.653 174.183 -0.530 1
1 42 . 7 1 1 A 3 3 VAL CA C 3 59.935 60.921 -0.986 1
1 43 . 7 1 1 A 3 3 VAL CB C 3 34.312 34.630 -0.318 1
1 46 . 7 1 1 A 3 3 VAL N N 3 123.079 120.074 3.005 1
1 47 . 7 1 1 A 4 4 ILE H H 4 8.552 9.278 -0.726 1
1 48 . 7 1 1 A 4 4 ILE HA H 4 4.530 4.603 -0.073 1
1 58 . 7 1 1 A 4 4 ILE C C 4 174.344 175.484 -1.140 1
1 59 . 7 1 1 A 4 4 ILE CA C 4 59.313 61.242 -1.929 1
1 60 . 7 1 1 A 4 4 ILE CB C 4 38.999 36.784 2.215 1
1 64 . 7 1 1 A 4 4 ILE N N 4 124.929 127.516 -2.587 1
1 65 . 7 1 1 A 5 5 VAL H H 5 8.911 8.550 0.361 1
1 66 . 7 1 1 A 5 5 VAL HA H 5 4.968 4.600 0.368 1
1 74 . 7 1 1 A 5 5 VAL C C 5 174.722 175.064 -0.342 1
1 75 . 7 1 1 A 5 5 VAL CA C 5 60.247 62.472 -2.225 1
1 76 . 7 1 1 A 5 5 VAL CB C 5 33.369 32.259 1.110 1
1 79 . 7 1 1 A 5 5 VAL N N 5 127.032 128.305 -1.273 1
1 80 . 7 1 1 A 6 6 ARG H H 6 9.417 9.075 0.342 1
1 81 . 7 1 1 A 6 6 ARG HA H 6 4.945 4.839 0.106 1
1 89 . 7 1 1 A 6 6 ARG C C 6 174.662 175.630 -0.968 1
1 90 . 7 1 1 A 6 6 ARG CA C 6 55.557 55.685 -0.128 1
1 91 . 7 1 1 A 6 6 ARG CB C 6 30.557 31.411 -0.854 1
1 94 . 7 1 1 A 6 6 ARG N N 6 127.895 128.097 -0.202 1
1 96 . 7 1 1 A 7 7 LEU H H 7 8.368 8.834 -0.466 1
1 97 . 7 1 1 A 7 7 LEU HA H 7 4.761 4.321 0.440 1
1 107 . 7 1 1 A 7 7 LEU C C 7 175.869 177.642 -1.773 1
1 108 . 7 1 1 A 7 7 LEU CA C 7 53.682 54.741 -1.059 1
1 109 . 7 1 1 A 7 7 LEU CB C 7 43.994 43.949 0.045 1
1 112 . 7 1 1 A 7 7 LEU N N 7 127.357 127.557 -0.200 1
1 113 . 7 1 1 A 8 8 GLN H H 8 9.244 8.767 0.477 1
1 114 . 7 1 1 A 8 8 GLN HA H 8 3.825 3.933 -0.108 1
1 119 . 7 1 1 A 8 8 GLN C C 8 175.478 176.063 -0.585 1
1 120 . 7 1 1 A 8 8 GLN CA C 8 58.372 59.746 -1.374 1
1 121 . 7 1 1 A 8 8 GLN CB C 8 27.125 28.729 -1.604 1
1 123 . 7 1 1 A 8 8 GLN N N 8 123.025 124.945 -1.920 1
1 124 . 7 1 1 A 9 9 ASP H H 9 8.622 8.179 0.443 1
1 125 . 7 1 1 A 9 9 ASP HA H 9 4.609 4.729 -0.120 1
1 128 . 7 1 1 A 9 9 ASP C C 9 175.352 174.418 0.934 1
1 129 . 7 1 1 A 9 9 ASP CA C 9 54.619 53.567 1.052 1
1 130 . 7 1 1 A 9 9 ASP CB C 9 40.576 41.535 -0.959 1
1 131 . 7 1 1 A 9 9 ASP N N 9 117.207 117.578 -0.371 1
1 132 . 7 1 1 A 10 10 GLN H H 10 7.972 7.523 0.449 1
1 133 . 7 1 1 A 10 10 GLN HA H 10 4.644 4.941 -0.297 1
1 138 . 7 1 1 A 10 10 GLN C C 10 174.812 174.613 0.199 1
1 139 . 7 1 1 A 10 10 GLN CA C 10 54.932 54.418 0.514 1
1 140 . 7 1 1 A 10 10 GLN CB C 10 31.807 33.681 -1.874 1
1 142 . 7 1 1 A 10 10 GLN N N 10 118.451 116.267 2.184 1
1 143 . 7 1 1 A 11 11 THR H H 11 8.593 8.490 0.103 1
1 144 . 7 1 1 A 11 11 THR HA H 11 4.874 5.213 -0.339 1
1 149 . 7 1 1 A 11 11 THR C C 11 173.521 173.425 0.096 1
1 150 . 7 1 1 A 11 11 THR CA C 11 61.810 61.528 0.282 1
1 151 . 7 1 1 A 11 11 THR CB C 11 69.934 71.858 -1.924 1
1 153 . 7 1 1 A 11 11 THR N N 11 118.464 115.725 2.739 1
1 154 . 7 1 1 A 12 12 LEU H H 12 9.554 8.525 1.029 1
1 155 . 7 1 1 A 12 12 LEU HA H 12 4.872 4.728 0.144 1
1 164 . 7 1 1 A 12 12 LEU CA C 12 51.494 51.386 0.108 1
1 165 . 7 1 1 A 12 12 LEU CB C 12 44.932 45.508 -0.576 1
1 168 . 7 1 1 A 12 12 LEU N N 12 128.567 125.658 2.909 1
1 169 . 7 1 1 A 13 13 PRO HA H 13 5.141 4.884 0.257 1
1 176 . 7 1 1 A 13 13 PRO C C 13 176.800 175.271 1.529 1
1 177 . 7 1 1 A 13 13 PRO CA C 13 60.869 62.456 -1.587 1
1 178 . 7 1 1 A 13 13 PRO CB C 13 32.119 33.143 -1.024 1
1 181 . 7 1 1 A 14 14 PHE H H 14 9.302 8.498 0.804 1
1 182 . 7 1 1 A 14 14 PHE HA H 14 4.622 5.122 -0.500 1
1 189 . 7 1 1 A 14 14 PHE C C 14 173.677 174.337 -0.660 1
1 190 . 7 1 1 A 14 14 PHE CA C 14 57.747 56.215 1.532 1
1 191 . 7 1 1 A 14 14 PHE CB C 14 42.749 43.545 -0.796 1
1 192 . 7 1 1 A 14 14 PHE N N 14 121.778 120.067 1.711 1
1 193 . 7 1 1 A 15 15 GLU H H 15 8.516 8.982 -0.466 1
1 194 . 7 1 1 A 15 15 GLU HA H 15 5.260 4.816 0.444 1
1 199 . 7 1 1 A 15 15 GLU C C 15 175.821 175.436 0.385 1
1 200 . 7 1 1 A 15 15 GLU CA C 15 54.932 55.386 -0.454 1
1 201 . 7 1 1 A 15 15 GLU CB C 15 30.244 31.257 -1.013 1
1 203 . 7 1 1 A 15 15 GLU N N 15 123.002 123.254 -0.252 1
1 204 . 7 1 1 A 16 16 LEU H H 16 8.937 8.577 0.360 1
1 205 . 7 1 1 A 16 16 LEU HA H 16 4.952 4.847 0.105 1
1 215 . 7 1 1 A 16 16 LEU CA C 16 51.494 51.594 -0.100 1
1 216 . 7 1 1 A 16 16 LEU CB C 16 44.941 44.335 0.606 1
1 220 . 7 1 1 A 16 16 LEU N N 16 126.803 128.839 -2.036 1
1 221 . 7 1 1 A 17 17 PRO HA H 17 4.547 4.617 -0.070 1
1 228 . 7 1 1 A 17 17 PRO C C 17 175.472 176.203 -0.731 1
1 229 . 7 1 1 A 17 17 PRO CA C 17 62.119 62.342 -0.223 1
1 230 . 7 1 1 A 17 17 PRO CB C 17 32.119 32.650 -0.531 1
1 233 . 7 1 1 A 18 18 ALA H H 18 7.892 8.264 -0.372 1
1 234 . 7 1 1 A 18 18 ALA HA H 18 4.065 3.956 0.109 1
1 238 . 7 1 1 A 18 18 ALA C C 18 178.735 178.426 0.309 1
1 239 . 7 1 1 A 18 18 ALA CA C 18 53.060 53.845 -0.785 1
1 240 . 7 1 1 A 18 18 ALA CB C 18 18.063 18.415 -0.352 1
1 241 . 7 1 1 A 18 18 ALA N N 18 121.997 124.866 -2.869 1
1 242 . 7 1 1 A 19 19 GLY H H 19 8.519 8.928 -0.409 1
1 243 . 7 1 1 A 19 19 GLY HA2 H 19 3.754 3.907 -0.153 1
1 244 . 7 1 1 A 19 19 GLY HA3 H 19 4.066 3.908 0.158 1
1 245 . 7 1 1 A 19 19 GLY C C 19 174.376 174.864 -0.488 1
1 246 . 7 1 1 A 19 19 GLY CA C 19 44.625 45.569 -0.944 1
1 247 . 7 1 1 A 19 19 GLY N N 19 110.335 110.869 -0.534 1
1 248 . 7 1 1 A 20 20 ALA H H 20 7.459 7.752 -0.293 1
1 249 . 7 1 1 A 20 20 ALA HA H 20 4.210 4.287 -0.077 1
1 253 . 7 1 1 A 20 20 ALA C C 20 176.171 176.640 -0.469 1
1 254 . 7 1 1 A 20 20 ALA CA C 20 52.751 52.502 0.249 1
1 255 . 7 1 1 A 20 20 ALA CB C 20 20.563 19.955 0.608 1
1 256 . 7 1 1 A 20 20 ALA N N 20 121.746 123.573 -1.827 1
1 257 . 7 1 1 A 21 21 ARG H H 21 8.148 8.653 -0.505 1
1 258 . 7 1 1 A 21 21 ARG HA H 21 5.132 4.741 0.391 1
1 265 . 7 1 1 A 21 21 ARG C C 21 178.292 176.407 1.885 1
1 266 . 7 1 1 A 21 21 ARG CA C 21 53.369 53.802 -0.433 1
1 267 . 7 1 1 A 21 21 ARG CB C 21 32.921 33.714 -0.793 1
1 270 . 7 1 1 A 21 21 ARG N N 21 118.121 120.268 -2.147 1
1 271 . 7 1 1 A 22 22 ALA H H 22 8.867 8.683 0.184 1
1 272 . 7 1 1 A 22 22 ALA HA H 22 3.799 4.033 -0.234 1
1 276 . 7 1 1 A 22 22 ALA C C 22 178.735 179.500 -0.765 1
1 277 . 7 1 1 A 22 22 ALA CA C 22 55.872 55.639 0.233 1
1 278 . 7 1 1 A 22 22 ALA CB C 22 18.375 18.235 0.140 1
1 279 . 7 1 1 A 22 22 ALA N N 22 123.186 123.691 -0.505 1
1 280 . 7 1 1 A 23 23 SER H H 23 8.383 8.176 0.207 1
1 281 . 7 1 1 A 23 23 SER HA H 23 4.205 4.025 0.180 1
1 284 . 7 1 1 A 23 23 SER C C 23 176.754 177.353 -0.599 1
1 285 . 7 1 1 A 23 23 SER CA C 23 60.557 61.456 -0.899 1
1 286 . 7 1 1 A 23 23 SER CB C 23 61.807 62.942 -1.135 1
1 287 . 7 1 1 A 23 23 SER N N 23 111.612 112.825 -1.213 1
1 288 . 7 1 1 A 24 24 GLN H H 24 7.744 8.138 -0.394 1
1 289 . 7 1 1 A 24 24 GLN HA H 24 4.173 4.008 0.165 1
1 294 . 7 1 1 A 24 24 GLN C C 24 178.689 177.964 0.725 1
1 295 . 7 1 1 A 24 24 GLN CA C 24 58.682 59.213 -0.531 1
1 296 . 7 1 1 A 24 24 GLN CB C 24 28.682 28.376 0.306 1
1 298 . 7 1 1 A 24 24 GLN N N 24 121.537 120.820 0.717 1
1 299 . 7 1 1 A 25 25 LEU H H 25 7.199 7.849 -0.650 1
1 300 . 7 1 1 A 25 25 LEU HA H 25 3.970 3.980 -0.010 1
1 310 . 7 1 1 A 25 25 LEU C C 25 177.966 178.594 -0.628 1
1 311 . 7 1 1 A 25 25 LEU CA C 25 56.810 57.680 -0.870 1
1 312 . 7 1 1 A 25 25 LEU CB C 25 41.494 41.492 0.002 1
1 316 . 7 1 1 A 25 25 LEU N N 25 119.709 121.283 -1.574 1
1 317 . 7 1 1 A 26 26 SER H H 26 8.650 8.210 0.440 1
1 318 . 7 1 1 A 26 26 SER HA H 26 3.970 3.906 0.064 1
1 321 . 7 1 1 A 26 26 SER C C 26 176.917 176.890 0.027 1
1 322 . 7 1 1 A 26 26 SER CA C 26 62.744 61.779 0.965 1
1 323 . 7 1 1 A 26 26 SER CB C 26 62.119 62.299 -0.180 1
1 324 . 7 1 1 A 26 26 SER N N 26 114.988 116.339 -1.351 1
1 325 . 7 1 1 A 27 27 ASN H H 27 7.876 8.087 -0.211 1
1 326 . 7 1 1 A 27 27 ASN HA H 27 4.517 4.481 0.036 1
1 329 . 7 1 1 A 27 27 ASN C C 27 177.197 178.177 -0.980 1
1 330 . 7 1 1 A 27 27 ASN CA C 27 55.869 56.305 -0.436 1
1 331 . 7 1 1 A 27 27 ASN CB C 27 38.369 38.153 0.216 1
1 332 . 7 1 1 A 27 27 ASN N N 27 118.197 121.079 -2.882 1
1 333 . 7 1 1 A 28 28 LEU H H 28 7.433 8.172 -0.739 1
1 334 . 7 1 1 A 28 28 LEU HA H 28 4.219 3.969 0.250 1
1 344 . 7 1 1 A 28 28 LEU C C 28 179.411 179.191 0.220 1
1 345 . 7 1 1 A 28 28 LEU CA C 28 57.122 58.037 -0.915 1
1 346 . 7 1 1 A 28 28 LEU CB C 28 41.984 42.121 -0.137 1
1 350 . 7 1 1 A 28 28 LEU N N 28 120.223 121.249 -1.026 1
1 351 . 7 1 1 A 29 29 LEU H H 29 7.866 7.955 -0.089 1
1 352 . 7 1 1 A 29 29 LEU HA H 29 4.091 3.887 0.204 1
1 362 . 7 1 1 A 29 29 LEU C C 29 178.386 178.767 -0.381 1
1 363 . 7 1 1 A 29 29 LEU CA C 29 56.497 57.720 -1.223 1
1 364 . 7 1 1 A 29 29 LEU CB C 29 42.124 41.285 0.839 1
1 368 . 7 1 1 A 29 29 LEU N N 29 119.017 117.817 1.200 1
1 369 . 7 1 1 A 30 30 SER H H 30 8.117 8.266 -0.149 1
1 370 . 7 1 1 A 30 30 SER HA H 30 4.615 4.026 0.589 1
1 373 . 7 1 1 A 30 30 SER C C 30 175.145 176.978 -1.833 1
1 374 . 7 1 1 A 30 30 SER CA C 30 59.932 61.518 -1.586 1
1 375 . 7 1 1 A 30 30 SER CB C 30 63.057 62.875 0.182 1
1 376 . 7 1 1 A 30 30 SER N N 30 114.044 114.591 -0.547 1
1 377 . 7 1 1 A 31 31 SER H H 31 8.084 8.024 0.060 1
1 378 . 7 1 1 A 31 31 SER HA H 31 4.535 4.104 0.431 1
1 381 . 7 1 1 A 31 31 SER CA C 31 58.994 61.229 -2.235 1
1 382 . 7 1 1 A 31 31 SER CB C 31 63.682 62.892 0.790 1
1 383 . 7 1 1 A 31 31 SER N N 31 115.938 115.435 0.503 1
1 384 . 7 1 1 A 32 32 SER HA H 32 4.547 4.440 0.107 1
1 387 . 7 1 1 A 32 32 SER CA C 32 58.682 57.277 1.405 1
1 388 . 7 1 1 A 32 32 SER CB C 32 63.369 64.989 -1.620 1
1 389 . 7 1 1 A 33 33 GLY H H 33 8.080 8.523 -0.443 1
1 390 . 7 1 1 A 33 33 GLY HA2 H 33 3.786 3.753 0.033 1
1 391 . 7 1 1 A 33 33 GLY HA3 H 33 4.160 3.765 0.395 1
1 392 . 7 1 1 A 33 33 GLY C C 33 173.746 174.633 -0.887 1
1 393 . 7 1 1 A 33 33 GLY CA C 33 45.561 47.155 -1.594 1
1 394 . 7 1 1 A 33 33 GLY N N 33 109.530 111.262 -1.732 1
1 395 . 7 1 1 A 34 34 MET H H 34 7.781 7.782 -0.001 1
1 396 . 7 1 1 A 34 34 MET HA H 34 4.371 4.492 -0.121 1
1 401 . 7 1 1 A 34 34 MET C C 34 174.073 175.346 -1.273 1
1 402 . 7 1 1 A 34 34 MET CA C 34 54.619 55.961 -1.342 1
1 403 . 7 1 1 A 34 34 MET CB C 34 33.994 33.693 0.301 1
1 405 . 7 1 1 A 34 34 MET N N 34 119.527 119.472 0.055 1
1 406 . 7 1 1 A 35 35 ALA H H 35 7.956 8.560 -0.604 1
1 407 . 7 1 1 A 35 35 ALA HA H 35 4.374 4.470 -0.096 1
1 411 . 7 1 1 A 35 35 ALA C C 35 175.915 175.207 0.708 1
1 412 . 7 1 1 A 35 35 ALA CA C 35 51.185 51.798 -0.613 1
1 413 . 7 1 1 A 35 35 ALA CB C 35 19.000 20.067 -1.067 1
1 414 . 7 1 1 A 35 35 ALA N N 35 125.314 120.548 4.766 1
1 415 . 7 1 1 A 36 36 PHE H H 36 7.838 7.828 0.010 1
1 416 . 7 1 1 A 36 36 PHE HA H 36 4.858 5.285 -0.427 1
1 424 . 7 1 1 A 36 36 PHE C C 36 175.868 173.862 2.006 1
1 425 . 7 1 1 A 36 36 PHE CA C 36 57.122 54.926 2.196 1
1 426 . 7 1 1 A 36 36 PHE CB C 36 41.812 41.484 0.328 1
1 427 . 7 1 1 A 36 36 PHE N N 36 117.347 120.157 -2.810 1
1 428 . 7 1 1 A 37 37 SER H H 37 8.943 8.208 0.735 1
1 429 . 7 1 1 A 37 37 SER HA H 37 4.623 4.596 0.027 1
1 432 . 7 1 1 A 37 37 SER C C 37 173.490 174.345 -0.855 1
1 433 . 7 1 1 A 37 37 SER CA C 37 57.432 58.793 -1.361 1
1 434 . 7 1 1 A 37 37 SER CB C 37 63.994 63.888 0.106 1
1 435 . 7 1 1 A 37 37 SER N N 37 117.034 116.568 0.466 1
1 436 . 7 1 1 A 38 38 LEU H H 38 8.787 8.729 0.058 1
1 437 . 7 1 1 A 38 38 LEU HA H 38 5.072 4.865 0.207 1
1 447 . 7 1 1 A 38 38 LEU C C 38 175.467 175.722 -0.255 1
1 448 . 7 1 1 A 38 38 LEU CA C 38 53.994 54.270 -0.276 1
1 449 . 7 1 1 A 38 38 LEU CB C 38 43.057 43.586 -0.529 1
1 453 . 7 1 1 A 38 38 LEU N N 38 124.534 124.039 0.495 1
1 454 . 7 1 1 A 39 39 HIS H H 39 9.132 8.852 0.280 1
1 455 . 7 1 1 A 39 39 HIS HA H 39 5.434 5.733 -0.299 1
1 458 . 7 1 1 A 39 39 HIS C C 39 174.656 172.706 1.950 1
1 459 . 7 1 1 A 39 39 HIS CA C 39 53.994 53.267 0.727 1
1 460 . 7 1 1 A 39 39 HIS CB C 39 35.869 32.931 2.938 1
1 461 . 7 1 1 A 39 39 HIS N N 39 121.803 120.994 0.809 1
1 462 . 7 1 1 A 40 40 THR H H 40 9.101 8.553 0.548 1
1 463 . 7 1 1 A 40 40 THR HA H 40 4.947 4.877 0.070 1
1 468 . 7 1 1 A 40 40 THR C C 40 173.373 173.680 -0.307 1
1 469 . 7 1 1 A 40 40 THR CA C 40 60.872 60.088 0.784 1
1 470 . 7 1 1 A 40 40 THR CB C 40 69.934 71.778 -1.844 1
1 472 . 7 1 1 A 40 40 THR N N 40 114.826 110.635 4.191 1
1 473 . 7 1 1 A 41 41 GLN H H 41 9.462 9.410 0.052 1
1 474 . 7 1 1 A 41 41 GLN HA H 41 3.967 3.954 0.013 1
1 479 . 7 1 1 A 41 41 GLN C C 41 176.031 175.664 0.367 1
1 480 . 7 1 1 A 41 41 GLN CA C 41 56.809 56.927 -0.118 1
1 481 . 7 1 1 A 41 41 GLN CB C 41 27.119 27.280 -0.161 1
1 483 . 7 1 1 A 41 41 GLN N N 41 125.458 122.028 3.430 1
1 484 . 7 1 1 A 42 42 GLY H H 42 9.114 8.588 0.526 1
1 485 . 7 1 1 A 42 42 GLY HA2 H 42 3.681 3.513 0.168 1
1 486 . 7 1 1 A 42 42 GLY HA3 H 42 4.177 3.739 0.438 1
1 487 . 7 1 1 A 42 42 GLY C C 42 173.977 173.613 0.364 1
1 488 . 7 1 1 A 42 42 GLY CA C 42 45.557 45.770 -0.213 1
1 489 . 7 1 1 A 42 42 GLY N N 42 105.029 104.227 0.802 1
1 490 . 7 1 1 A 43 43 ARG H H 43 8.140 7.871 0.269 1
1 491 . 7 1 1 A 43 43 ARG HA H 43 4.725 4.750 -0.025 1
1 498 . 7 1 1 A 43 43 ARG CA C 43 53.994 54.157 -0.163 1
1 499 . 7 1 1 A 43 43 ARG CB C 43 32.744 33.315 -0.571 1
1 502 . 7 1 1 A 43 43 ARG N N 43 121.025 119.581 1.444 1
1 503 . 7 1 1 A 44 44 VAL HA H 44 3.819 4.128 -0.309 1
1 511 . 7 1 1 A 44 44 VAL C C 44 176.124 175.421 0.703 1
1 512 . 7 1 1 A 44 44 VAL CA C 44 62.747 63.315 -0.568 1
1 513 . 7 1 1 A 44 44 VAL CB C 44 32.125 32.331 -0.206 1
1 516 . 7 1 1 A 45 45 LEU H H 45 8.513 8.699 -0.186 1
1 517 . 7 1 1 A 45 45 LEU HA H 45 4.388 5.000 -0.612 1
1 527 . 7 1 1 A 45 45 LEU C C 45 177.197 177.195 0.002 1
1 528 . 7 1 1 A 45 45 LEU CA C 45 53.682 53.268 0.414 1
1 529 . 7 1 1 A 45 45 LEU CB C 45 42.437 42.989 -0.552 1
1 533 . 7 1 1 A 45 45 LEU N N 45 129.261 129.173 0.088 1
1 534 . 7 1 1 A 46 46 SER H H 46 8.238 8.868 -0.630 1
1 535 . 7 1 1 A 46 46 SER HA H 46 4.441 4.798 -0.357 1
1 538 . 7 1 1 A 46 46 SER C C 46 175.052 175.992 -0.940 1
1 539 . 7 1 1 A 46 46 SER CA C 46 57.744 57.389 0.355 1
1 540 . 7 1 1 A 46 46 SER CB C 46 63.682 64.999 -1.317 1
1 541 . 7 1 1 A 46 46 SER N N 46 116.459 119.614 -3.155 1
1 542 . 7 1 1 A 47 47 GLU H H 47 8.743 9.026 -0.283 1
1 543 . 7 1 1 A 47 47 GLU HA H 47 4.009 4.058 -0.049 1
1 548 . 7 1 1 A 47 47 GLU C C 47 176.054 177.187 -1.133 1
1 549 . 7 1 1 A 47 47 GLU CA C 47 59.307 59.177 0.130 1
1 550 . 7 1 1 A 47 47 GLU CB C 47 29.619 29.370 0.249 1
1 552 . 7 1 1 A 47 47 GLU N N 47 121.669 121.425 0.244 1
1 553 . 7 1 1 A 48 48 ALA H H 48 7.738 7.540 0.198 1
1 554 . 7 1 1 A 48 48 ALA HA H 48 4.477 4.459 0.018 1
1 558 . 7 1 1 A 48 48 ALA C C 48 177.267 177.434 -0.167 1
1 559 . 7 1 1 A 48 48 ALA CA C 48 50.873 51.359 -0.486 1
1 560 . 7 1 1 A 48 48 ALA CB C 48 19.000 19.679 -0.679 1
1 561 . 7 1 1 A 48 48 ALA N N 48 117.799 120.598 -2.799 1
1 562 . 7 1 1 A 49 49 ALA H H 49 7.597 7.666 -0.069 1
1 563 . 7 1 1 A 49 49 ALA HA H 49 4.086 4.182 -0.096 1
1 567 . 7 1 1 A 49 49 ALA C C 49 177.104 176.728 0.376 1
1 568 . 7 1 1 A 49 49 ALA CA C 49 52.748 53.021 -0.273 1
1 569 . 7 1 1 A 49 49 ALA CB C 49 19.938 19.132 0.806 1
1 570 . 7 1 1 A 49 49 ALA N N 49 122.785 122.008 0.777 1
1 571 . 7 1 1 A 50 50 GLU H H 50 8.511 8.591 -0.080 1
1 572 . 7 1 1 A 50 50 GLU HA H 50 4.140 4.934 -0.794 1
1 577 . 7 1 1 A 50 50 GLU C C 50 176.054 175.192 0.862 1
1 578 . 7 1 1 A 50 50 GLU CA C 50 56.807 54.761 2.046 1
1 579 . 7 1 1 A 50 50 GLU CB C 50 30.557 31.933 -1.376 1
1 581 . 7 1 1 A 50 50 GLU N N 50 121.303 124.247 -2.944 1
1 582 . 7 1 1 A 51 51 LEU H H 51 8.047 8.957 -0.910 1
1 583 . 7 1 1 A 51 51 LEU HA H 51 4.501 4.265 0.236 1
1 593 . 7 1 1 A 51 51 LEU C C 51 174.656 176.479 -1.823 1
1 594 . 7 1 1 A 51 51 LEU CA C 51 53.379 56.406 -3.027 1
1 595 . 7 1 1 A 51 51 LEU CB C 51 42.121 42.194 -0.073 1
1 599 . 7 1 1 A 51 51 LEU N N 51 122.325 129.219 -6.894 1
1 600 . 7 1 1 A 52 52 ASN H H 52 7.424 7.613 -0.189 1
1 601 . 7 1 1 A 52 52 ASN HA H 52 5.067 4.976 0.091 1
1 606 . 7 1 1 A 52 52 ASN C C 52 173.094 172.878 0.216 1
1 607 . 7 1 1 A 52 52 ASN CA C 52 52.119 52.375 -0.256 1
1 608 . 7 1 1 A 52 52 ASN CB C 52 42.744 41.758 0.986 1
1 609 . 7 1 1 A 52 52 ASN N N 52 115.275 112.557 2.718 1
1 611 . 7 1 1 A 53 53 ASP H H 53 8.495 8.666 -0.171 1
1 612 . 7 1 1 A 53 53 ASP HA H 53 4.376 4.533 -0.157 1
1 615 . 7 1 1 A 53 53 ASP C C 53 176.544 176.999 -0.455 1
1 616 . 7 1 1 A 53 53 ASP CA C 53 55.869 54.205 1.664 1
1 617 . 7 1 1 A 53 53 ASP CB C 53 41.807 41.660 0.147 1
1 618 . 7 1 1 A 53 53 ASP N N 53 118.480 122.343 -3.863 1
1 619 . 7 1 1 A 54 54 LYS H H 54 9.479 8.927 0.552 1
1 620 . 7 1 1 A 54 54 LYS HA H 54 3.713 4.048 -0.335 1
1 621 . 7 1 1 A 54 54 LYS C C 54 175.495 176.016 -0.521 1
1 622 . 7 1 1 A 54 54 LYS CA C 54 57.750 57.124 0.626 1
1 623 . 7 1 1 A 54 54 LYS N N 54 119.414 124.698 -5.284 1
1 624 . 7 1 1 A 55 55 MET H H 55 7.665 7.897 -0.232 1
1 625 . 7 1 1 A 55 55 MET HA H 55 4.198 4.671 -0.473 1
1 630 . 7 1 1 A 55 55 MET C C 55 173.746 174.785 -1.039 1
1 631 . 7 1 1 A 55 55 MET CA C 55 57.119 54.529 2.590 1
1 632 . 7 1 1 A 55 55 MET CB C 55 34.932 34.446 0.486 1
1 634 . 7 1 1 A 55 55 MET N N 55 119.804 118.146 1.658 1
1 635 . 7 1 1 A 56 56 VAL H H 56 8.282 8.486 -0.204 1
1 636 . 7 1 1 A 56 56 VAL HA H 56 4.831 4.806 0.025 1
1 644 . 7 1 1 A 56 56 VAL C C 56 176.264 174.197 2.067 1
1 645 . 7 1 1 A 56 56 VAL CA C 56 61.497 61.419 0.078 1
1 646 . 7 1 1 A 56 56 VAL CB C 56 32.437 34.845 -2.408 1
1 649 . 7 1 1 A 56 56 VAL N N 56 122.814 118.128 4.686 1
1 650 . 7 1 1 A 57 57 ILE H H 57 9.651 9.181 0.470 1
1 651 . 7 1 1 A 57 57 ILE HA H 57 4.644 4.845 -0.201 1
1 661 . 7 1 1 A 57 57 ILE C C 57 173.770 174.349 -0.579 1
1 662 . 7 1 1 A 57 57 ILE CA C 57 59.307 59.952 -0.645 1
1 663 . 7 1 1 A 57 57 ILE CB C 57 41.494 40.856 0.638 1
1 667 . 7 1 1 A 57 57 ILE N N 57 132.467 127.891 4.576 1
1 668 . 7 1 1 A 58 58 ASP H H 58 9.257 8.949 0.308 1
1 669 . 7 1 1 A 58 58 ASP HA H 58 5.173 5.234 -0.061 1
1 672 . 7 1 1 A 58 58 ASP C C 58 173.886 174.938 -1.052 1
1 673 . 7 1 1 A 58 58 ASP CA C 58 53.994 53.292 0.702 1
1 674 . 7 1 1 A 58 58 ASP CB C 58 43.682 42.324 1.358 1
1 675 . 7 1 1 A 58 58 ASP N N 58 127.121 126.773 0.348 1
1 676 . 7 1 1 A 59 59 ALA H H 59 8.424 9.292 -0.868 1
1 677 . 7 1 1 A 59 59 ALA HA H 59 5.335 5.293 0.042 1
1 681 . 7 1 1 A 59 59 ALA C C 59 175.611 176.027 -0.416 1
1 682 . 7 1 1 A 59 59 ALA CA C 59 49.935 50.535 -0.600 1
1 683 . 7 1 1 A 59 59 ALA CB C 59 20.875 20.580 0.295 1
1 684 . 7 1 1 A 59 59 ALA N N 59 125.860 127.554 -1.694 1
1 685 . 7 1 1 A 60 60 PHE H H 60 8.621 9.119 -0.498 1
1 686 . 7 1 1 A 60 60 PHE HA H 60 4.986 5.275 -0.289 1
1 693 . 7 1 1 A 60 60 PHE C C 60 174.469 174.079 0.390 1
1 694 . 7 1 1 A 60 60 PHE CA C 60 55.872 56.177 -0.305 1
1 695 . 7 1 1 A 60 60 PHE CB C 60 41.187 42.129 -0.942 1
1 696 . 7 1 1 A 60 60 PHE N N 60 119.918 124.985 -5.067 1
1 697 . 7 1 1 A 61 61 VAL H H 61 8.648 8.614 0.034 1
1 698 . 7 1 1 A 61 61 VAL HA H 61 4.458 4.380 0.078 1
1 706 . 7 1 1 A 61 61 VAL CA C 61 59.622 58.716 0.906 1
1 707 . 7 1 1 A 61 61 VAL CB C 61 32.437 32.963 -0.526 1
1 710 . 7 1 1 A 61 61 VAL N N 61 123.408 122.898 0.510 1
1 711 . 7 1 1 A 62 62 PRO HA H 62 4.395 4.589 -0.194 1
1 718 . 7 1 1 A 62 62 PRO C C 62 176.614 176.218 0.396 1
1 719 . 7 1 1 A 62 62 PRO CA C 62 63.057 62.320 0.737 1
1 720 . 7 1 1 A 62 62 PRO CB C 62 32.119 32.591 -0.472 1
1 723 . 7 1 1 A 63 63 ALA H H 63 8.410 8.375 0.035 1
1 724 . 7 1 1 A 63 63 ALA HA H 63 4.281 4.861 -0.580 1
1 728 . 7 1 1 A 63 63 ALA C C 63 177.527 176.375 1.152 1
1 729 . 7 1 1 A 63 63 ALA CA C 63 52.435 50.550 1.885 1
1 730 . 7 1 1 A 63 63 ALA CB C 63 19.000 21.931 -2.931 1
1 731 . 7 1 1 A 63 63 ALA N N 63 124.350 123.112 1.238 1
1 732 . 7 1 1 A 64 64 ASP H H 64 8.264 8.542 -0.278 1
1 733 . 7 1 1 A 64 64 ASP HA H 64 4.571 4.787 -0.216 1
1 736 . 7 1 1 A 64 64 ASP C C 64 176.824 177.153 -0.329 1
1 737 . 7 1 1 A 64 64 ASP CA C 64 53.994 54.344 -0.350 1
1 738 . 7 1 1 A 64 64 ASP CB C 64 41.182 41.342 -0.160 1
1 739 . 7 1 1 A 64 64 ASP N N 64 118.930 119.469 -0.539 1
1 740 . 7 1 1 A 65 65 GLY H H 65 8.289 8.819 -0.530 1
1 741 . 7 1 1 A 65 65 GLY HA2 H 65 3.906 4.204 -0.298 1
1 742 . 7 1 1 A 65 65 GLY HA3 H 65 3.906 4.209 -0.303 1
1 743 . 7 1 1 A 65 65 GLY C C 65 174.096 173.838 0.258 1
1 744 . 7 1 1 A 65 65 GLY CA C 65 45.249 45.581 -0.332 1
1 745 . 7 1 1 A 65 65 GLY N N 65 109.281 113.202 -3.921 1
1 746 . 7 1 1 A 66 66 ALA H H 66 8.147 7.845 0.302 1
1 747 . 7 1 1 A 66 66 ALA HA H 66 4.306 4.022 0.284 1
1 751 . 7 1 1 A 66 66 ALA CA C 66 52.435 52.931 -0.496 1
1 752 . 7 1 1 A 66 66 ALA CB C 66 19.000 17.691 1.309 1
1 753 . 7 1 1 A 66 66 ALA N N 66 123.586 118.786 4.800 1
1 754 . 7 1 1 A 67 67 GLY H H 67 8.414 8.328 0.086 1
1 755 . 7 1 1 A 67 67 GLY HA2 H 67 3.921 3.936 -0.015 1
1 756 . 7 1 1 A 67 67 GLY HA3 H 67 3.921 3.936 -0.015 1
1 757 . 7 1 1 A 67 67 GLY C C 67 174.306 175.012 -0.706 1
1 758 . 7 1 1 A 67 67 GLY CA C 67 45.561 46.744 -1.183 1
1 759 . 7 1 1 A 67 67 GLY N N 67 108.025 110.561 -2.536 1
1 760 . 7 1 1 A 68 68 LEU H H 68 7.994 7.904 0.090 1
1 761 . 7 1 1 A 68 68 LEU HA H 68 4.265 3.920 0.345 1
1 771 . 7 1 1 A 68 68 LEU C C 68 177.430 178.557 -1.127 1
1 772 . 7 1 1 A 68 68 LEU CA C 68 54.935 58.276 -3.341 1
1 773 . 7 1 1 A 68 68 LEU CB C 68 42.124 41.854 0.270 1
1 777 . 7 1 1 A 68 68 LEU N N 68 121.101 121.741 -0.640 1
1 16 . 8 1 1 A 2 2 LEU H H 2 9.099 8.611 0.488 1
1 17 . 8 1 1 A 2 2 LEU HA H 2 5.183 5.127 0.056 1
1 26 . 8 1 1 A 2 2 LEU C C 2 176.031 174.682 1.349 1
1 27 . 8 1 1 A 2 2 LEU CA C 2 53.682 53.770 -0.088 1
1 28 . 8 1 1 A 2 2 LEU CB C 2 43.994 44.231 -0.237 1
1 31 . 8 1 1 A 2 2 LEU N N 2 125.441 123.893 1.548 1
1 32 . 8 1 1 A 3 3 VAL H H 3 9.070 8.979 0.091 1
1 33 . 8 1 1 A 3 3 VAL HA H 3 4.720 4.795 -0.075 1
1 41 . 8 1 1 A 3 3 VAL C C 3 173.653 174.926 -1.273 1
1 42 . 8 1 1 A 3 3 VAL CA C 3 59.935 60.882 -0.947 1
1 43 . 8 1 1 A 3 3 VAL CB C 3 34.312 34.825 -0.513 1
1 46 . 8 1 1 A 3 3 VAL N N 3 123.079 126.914 -3.835 1
1 47 . 8 1 1 A 4 4 ILE H H 4 8.552 9.468 -0.916 1
1 48 . 8 1 1 A 4 4 ILE HA H 4 4.530 4.782 -0.252 1
1 58 . 8 1 1 A 4 4 ILE C C 4 174.344 175.383 -1.039 1
1 59 . 8 1 1 A 4 4 ILE CA C 4 59.313 60.654 -1.341 1
1 60 . 8 1 1 A 4 4 ILE CB C 4 38.999 37.404 1.595 1
1 64 . 8 1 1 A 4 4 ILE N N 4 124.929 128.560 -3.631 1
1 65 . 8 1 1 A 5 5 VAL H H 5 8.911 8.697 0.214 1
1 66 . 8 1 1 A 5 5 VAL HA H 5 4.968 4.499 0.469 1
1 74 . 8 1 1 A 5 5 VAL C C 5 174.722 175.419 -0.697 1
1 75 . 8 1 1 A 5 5 VAL CA C 5 60.247 62.527 -2.280 1
1 76 . 8 1 1 A 5 5 VAL CB C 5 33.369 32.354 1.015 1
1 79 . 8 1 1 A 5 5 VAL N N 5 127.032 128.614 -1.582 1
1 80 . 8 1 1 A 6 6 ARG H H 6 9.417 8.920 0.497 1
1 81 . 8 1 1 A 6 6 ARG HA H 6 4.945 4.676 0.269 1
1 89 . 8 1 1 A 6 6 ARG C C 6 174.662 174.782 -0.120 1
1 90 . 8 1 1 A 6 6 ARG CA C 6 55.557 55.644 -0.087 1
1 91 . 8 1 1 A 6 6 ARG CB C 6 30.557 30.867 -0.310 1
1 94 . 8 1 1 A 6 6 ARG N N 6 127.895 128.038 -0.143 1
1 96 . 8 1 1 A 7 7 LEU H H 7 8.368 8.965 -0.597 1
1 97 . 8 1 1 A 7 7 LEU HA H 7 4.761 4.518 0.243 1
1 107 . 8 1 1 A 7 7 LEU C C 7 175.869 177.655 -1.786 1
1 108 . 8 1 1 A 7 7 LEU CA C 7 53.682 53.650 0.032 1
1 109 . 8 1 1 A 7 7 LEU CB C 7 43.994 42.899 1.095 1
1 112 . 8 1 1 A 7 7 LEU N N 7 127.357 126.236 1.121 1
1 113 . 8 1 1 A 8 8 GLN H H 8 9.244 8.890 0.354 1
1 114 . 8 1 1 A 8 8 GLN HA H 8 3.825 3.880 -0.055 1
1 119 . 8 1 1 A 8 8 GLN C C 8 175.478 177.200 -1.722 1
1 120 . 8 1 1 A 8 8 GLN CA C 8 58.372 59.661 -1.289 1
1 121 . 8 1 1 A 8 8 GLN CB C 8 27.125 28.554 -1.429 1
1 123 . 8 1 1 A 8 8 GLN N N 8 123.025 124.540 -1.515 1
1 124 . 8 1 1 A 9 9 ASP H H 9 8.622 7.740 0.882 1
1 125 . 8 1 1 A 9 9 ASP HA H 9 4.609 4.423 0.186 1
1 128 . 8 1 1 A 9 9 ASP C C 9 175.352 175.244 0.108 1
1 129 . 8 1 1 A 9 9 ASP CA C 9 54.619 56.857 -2.238 1
1 130 . 8 1 1 A 9 9 ASP CB C 9 40.576 41.826 -1.250 1
1 131 . 8 1 1 A 9 9 ASP N N 9 117.207 119.107 -1.900 1
1 132 . 8 1 1 A 10 10 GLN H H 10 7.972 7.690 0.282 1
1 133 . 8 1 1 A 10 10 GLN HA H 10 4.644 4.878 -0.234 1
1 138 . 8 1 1 A 10 10 GLN C C 10 174.812 174.240 0.572 1
1 139 . 8 1 1 A 10 10 GLN CA C 10 54.932 54.501 0.431 1
1 140 . 8 1 1 A 10 10 GLN CB C 10 31.807 33.035 -1.228 1
1 142 . 8 1 1 A 10 10 GLN N N 10 118.451 114.578 3.873 1
1 143 . 8 1 1 A 11 11 THR H H 11 8.593 8.476 0.117 1
1 144 . 8 1 1 A 11 11 THR HA H 11 4.874 5.106 -0.232 1
1 149 . 8 1 1 A 11 11 THR C C 11 173.521 173.561 -0.040 1
1 150 . 8 1 1 A 11 11 THR CA C 11 61.810 61.961 -0.151 1
1 151 . 8 1 1 A 11 11 THR CB C 11 69.934 70.646 -0.712 1
1 153 . 8 1 1 A 11 11 THR N N 11 118.464 115.514 2.950 1
1 154 . 8 1 1 A 12 12 LEU H H 12 9.554 8.850 0.704 1
1 155 . 8 1 1 A 12 12 LEU HA H 12 4.872 4.761 0.111 1
1 164 . 8 1 1 A 12 12 LEU CA C 12 51.494 51.277 0.217 1
1 165 . 8 1 1 A 12 12 LEU CB C 12 44.932 45.233 -0.301 1
1 168 . 8 1 1 A 12 12 LEU N N 12 128.567 126.084 2.483 1
1 169 . 8 1 1 A 13 13 PRO HA H 13 5.141 4.850 0.291 1
1 176 . 8 1 1 A 13 13 PRO C C 13 176.800 175.423 1.377 1
1 177 . 8 1 1 A 13 13 PRO CA C 13 60.869 62.380 -1.511 1
1 178 . 8 1 1 A 13 13 PRO CB C 13 32.119 33.271 -1.152 1
1 181 . 8 1 1 A 14 14 PHE H H 14 9.302 8.522 0.780 1
1 182 . 8 1 1 A 14 14 PHE HA H 14 4.622 4.939 -0.317 1
1 189 . 8 1 1 A 14 14 PHE C C 14 173.677 174.455 -0.778 1
1 190 . 8 1 1 A 14 14 PHE CA C 14 57.747 56.104 1.643 1
1 191 . 8 1 1 A 14 14 PHE CB C 14 42.749 42.232 0.517 1
1 192 . 8 1 1 A 14 14 PHE N N 14 121.778 120.362 1.416 1
1 193 . 8 1 1 A 15 15 GLU H H 15 8.516 8.831 -0.315 1
1 194 . 8 1 1 A 15 15 GLU HA H 15 5.260 4.645 0.615 1
1 199 . 8 1 1 A 15 15 GLU C C 15 175.821 175.719 0.102 1
1 200 . 8 1 1 A 15 15 GLU CA C 15 54.932 56.722 -1.790 1
1 201 . 8 1 1 A 15 15 GLU CB C 15 30.244 30.303 -0.059 1
1 203 . 8 1 1 A 15 15 GLU N N 15 123.002 124.644 -1.642 1
1 204 . 8 1 1 A 16 16 LEU H H 16 8.937 8.528 0.409 1
1 205 . 8 1 1 A 16 16 LEU HA H 16 4.952 4.827 0.125 1
1 215 . 8 1 1 A 16 16 LEU CA C 16 51.494 51.626 -0.132 1
1 216 . 8 1 1 A 16 16 LEU CB C 16 44.941 44.514 0.427 1
1 220 . 8 1 1 A 16 16 LEU N N 16 126.803 129.107 -2.304 1
1 221 . 8 1 1 A 17 17 PRO HA H 17 4.547 4.614 -0.067 1
1 228 . 8 1 1 A 17 17 PRO C C 17 175.472 176.332 -0.860 1
1 229 . 8 1 1 A 17 17 PRO CA C 17 62.119 62.296 -0.177 1
1 230 . 8 1 1 A 17 17 PRO CB C 17 32.119 32.635 -0.516 1
1 233 . 8 1 1 A 18 18 ALA H H 18 7.892 8.244 -0.352 1
1 234 . 8 1 1 A 18 18 ALA HA H 18 4.065 3.964 0.101 1
1 238 . 8 1 1 A 18 18 ALA C C 18 178.735 178.688 0.047 1
1 239 . 8 1 1 A 18 18 ALA CA C 18 53.060 53.829 -0.769 1
1 240 . 8 1 1 A 18 18 ALA CB C 18 18.063 18.484 -0.421 1
1 241 . 8 1 1 A 18 18 ALA N N 18 121.997 124.983 -2.986 1
1 242 . 8 1 1 A 19 19 GLY H H 19 8.519 8.883 -0.364 1
1 243 . 8 1 1 A 19 19 GLY HA2 H 19 3.754 3.845 -0.091 1
1 244 . 8 1 1 A 19 19 GLY HA3 H 19 4.066 3.846 0.220 1
1 245 . 8 1 1 A 19 19 GLY C C 19 174.376 174.731 -0.355 1
1 246 . 8 1 1 A 19 19 GLY CA C 19 44.625 46.853 -2.228 1
1 247 . 8 1 1 A 19 19 GLY N N 19 110.335 110.690 -0.355 1
1 248 . 8 1 1 A 20 20 ALA H H 20 7.459 7.660 -0.201 1
1 249 . 8 1 1 A 20 20 ALA HA H 20 4.210 4.281 -0.071 1
1 253 . 8 1 1 A 20 20 ALA C C 20 176.171 176.784 -0.613 1
1 254 . 8 1 1 A 20 20 ALA CA C 20 52.751 52.523 0.228 1
1 255 . 8 1 1 A 20 20 ALA CB C 20 20.563 19.933 0.630 1
1 256 . 8 1 1 A 20 20 ALA N N 20 121.746 123.292 -1.546 1
1 257 . 8 1 1 A 21 21 ARG H H 21 8.148 8.730 -0.582 1
1 258 . 8 1 1 A 21 21 ARG HA H 21 5.132 4.797 0.335 1
1 265 . 8 1 1 A 21 21 ARG C C 21 178.292 176.658 1.634 1
1 266 . 8 1 1 A 21 21 ARG CA C 21 53.369 53.883 -0.514 1
1 267 . 8 1 1 A 21 21 ARG CB C 21 32.921 33.271 -0.350 1
1 270 . 8 1 1 A 21 21 ARG N N 21 118.121 117.076 1.045 1
1 271 . 8 1 1 A 22 22 ALA H H 22 8.867 8.705 0.162 1
1 272 . 8 1 1 A 22 22 ALA HA H 22 3.799 3.935 -0.136 1
1 276 . 8 1 1 A 22 22 ALA C C 22 178.735 179.483 -0.748 1
1 277 . 8 1 1 A 22 22 ALA CA C 22 55.872 55.044 0.828 1
1 278 . 8 1 1 A 22 22 ALA CB C 22 18.375 18.387 -0.012 1
1 279 . 8 1 1 A 22 22 ALA N N 22 123.186 122.789 0.397 1
1 280 . 8 1 1 A 23 23 SER H H 23 8.383 7.993 0.390 1
1 281 . 8 1 1 A 23 23 SER HA H 23 4.205 4.137 0.068 1
1 284 . 8 1 1 A 23 23 SER C C 23 176.754 177.447 -0.693 1
1 285 . 8 1 1 A 23 23 SER CA C 23 60.557 61.422 -0.865 1
1 286 . 8 1 1 A 23 23 SER CB C 23 61.807 63.160 -1.353 1
1 287 . 8 1 1 A 23 23 SER N N 23 111.612 113.584 -1.972 1
1 288 . 8 1 1 A 24 24 GLN H H 24 7.744 8.022 -0.278 1
1 289 . 8 1 1 A 24 24 GLN HA H 24 4.173 3.933 0.240 1
1 294 . 8 1 1 A 24 24 GLN C C 24 178.689 178.036 0.653 1
1 295 . 8 1 1 A 24 24 GLN CA C 24 58.682 59.084 -0.402 1
1 296 . 8 1 1 A 24 24 GLN CB C 24 28.682 28.121 0.561 1
1 298 . 8 1 1 A 24 24 GLN N N 24 121.537 120.735 0.802 1
1 299 . 8 1 1 A 25 25 LEU H H 25 7.199 7.852 -0.653 1
1 300 . 8 1 1 A 25 25 LEU HA H 25 3.970 4.002 -0.032 1
1 310 . 8 1 1 A 25 25 LEU C C 25 177.966 178.372 -0.406 1
1 311 . 8 1 1 A 25 25 LEU CA C 25 56.810 58.072 -1.262 1
1 312 . 8 1 1 A 25 25 LEU CB C 25 41.494 41.428 0.066 1
1 316 . 8 1 1 A 25 25 LEU N N 25 119.709 122.366 -2.657 1
1 317 . 8 1 1 A 26 26 SER H H 26 8.650 8.161 0.489 1
1 318 . 8 1 1 A 26 26 SER HA H 26 3.970 3.987 -0.017 1
1 321 . 8 1 1 A 26 26 SER C C 26 176.917 177.188 -0.271 1
1 322 . 8 1 1 A 26 26 SER CA C 26 62.744 61.272 1.472 1
1 323 . 8 1 1 A 26 26 SER CB C 26 62.119 63.049 -0.930 1
1 324 . 8 1 1 A 26 26 SER N N 26 114.988 114.354 0.634 1
1 325 . 8 1 1 A 27 27 ASN H H 27 7.876 7.704 0.172 1
1 326 . 8 1 1 A 27 27 ASN HA H 27 4.517 4.433 0.084 1
1 329 . 8 1 1 A 27 27 ASN C C 27 177.197 177.683 -0.486 1
1 330 . 8 1 1 A 27 27 ASN CA C 27 55.869 56.754 -0.885 1
1 331 . 8 1 1 A 27 27 ASN CB C 27 38.369 39.020 -0.651 1
1 332 . 8 1 1 A 27 27 ASN N N 27 118.197 119.684 -1.487 1
1 333 . 8 1 1 A 28 28 LEU H H 28 7.433 7.958 -0.525 1
1 334 . 8 1 1 A 28 28 LEU HA H 28 4.219 3.891 0.328 1
1 344 . 8 1 1 A 28 28 LEU C C 28 179.411 178.666 0.745 1
1 345 . 8 1 1 A 28 28 LEU CA C 28 57.122 57.842 -0.720 1
1 346 . 8 1 1 A 28 28 LEU CB C 28 41.984 41.901 0.083 1
1 350 . 8 1 1 A 28 28 LEU N N 28 120.223 119.982 0.241 1
1 351 . 8 1 1 A 29 29 LEU H H 29 7.866 7.966 -0.100 1
1 352 . 8 1 1 A 29 29 LEU HA H 29 4.091 3.843 0.248 1
1 362 . 8 1 1 A 29 29 LEU C C 29 178.386 179.355 -0.969 1
1 363 . 8 1 1 A 29 29 LEU CA C 29 56.497 57.659 -1.162 1
1 364 . 8 1 1 A 29 29 LEU CB C 29 42.124 40.456 1.668 1
1 368 . 8 1 1 A 29 29 LEU N N 29 119.017 117.777 1.240 1
1 369 . 8 1 1 A 30 30 SER H H 30 8.117 7.993 0.124 1
1 370 . 8 1 1 A 30 30 SER HA H 30 4.615 4.040 0.575 1
1 373 . 8 1 1 A 30 30 SER C C 30 175.145 176.901 -1.756 1
1 374 . 8 1 1 A 30 30 SER CA C 30 59.932 61.394 -1.462 1
1 375 . 8 1 1 A 30 30 SER CB C 30 63.057 62.760 0.297 1
1 376 . 8 1 1 A 30 30 SER N N 30 114.044 114.836 -0.792 1
1 377 . 8 1 1 A 31 31 SER H H 31 8.084 8.701 -0.617 1
1 378 . 8 1 1 A 31 31 SER HA H 31 4.535 4.228 0.307 1
1 381 . 8 1 1 A 31 31 SER CA C 31 58.994 61.331 -2.337 1
1 382 . 8 1 1 A 31 31 SER CB C 31 63.682 62.489 1.193 1
1 383 . 8 1 1 A 31 31 SER N N 31 115.938 116.458 -0.520 1
1 384 . 8 1 1 A 32 32 SER HA H 32 4.547 4.205 0.342 1
1 387 . 8 1 1 A 32 32 SER CA C 32 58.682 61.209 -2.527 1
1 388 . 8 1 1 A 32 32 SER CB C 32 63.369 63.499 -0.130 1
1 389 . 8 1 1 A 33 33 GLY H H 33 8.080 6.969 1.111 1
1 390 . 8 1 1 A 33 33 GLY HA2 H 33 3.786 4.031 -0.245 1
1 391 . 8 1 1 A 33 33 GLY HA3 H 33 4.160 4.048 0.112 1
1 392 . 8 1 1 A 33 33 GLY C C 33 173.746 174.730 -0.984 1
1 393 . 8 1 1 A 33 33 GLY CA C 33 45.561 45.468 0.093 1
1 394 . 8 1 1 A 33 33 GLY N N 33 109.530 108.031 1.499 1
1 395 . 8 1 1 A 34 34 MET H H 34 7.781 8.010 -0.229 1
1 396 . 8 1 1 A 34 34 MET HA H 34 4.371 4.495 -0.124 1
1 401 . 8 1 1 A 34 34 MET C C 34 174.073 174.863 -0.790 1
1 402 . 8 1 1 A 34 34 MET CA C 34 54.619 56.338 -1.719 1
1 403 . 8 1 1 A 34 34 MET CB C 34 33.994 33.374 0.620 1
1 405 . 8 1 1 A 34 34 MET N N 34 119.527 120.181 -0.654 1
1 406 . 8 1 1 A 35 35 ALA H H 35 7.956 8.305 -0.349 1
1 407 . 8 1 1 A 35 35 ALA HA H 35 4.374 4.589 -0.215 1
1 411 . 8 1 1 A 35 35 ALA C C 35 175.915 175.411 0.504 1
1 412 . 8 1 1 A 35 35 ALA CA C 35 51.185 51.109 0.076 1
1 413 . 8 1 1 A 35 35 ALA CB C 35 19.000 20.816 -1.816 1
1 414 . 8 1 1 A 35 35 ALA N N 35 125.314 121.925 3.389 1
1 415 . 8 1 1 A 36 36 PHE H H 36 7.838 7.880 -0.042 1
1 416 . 8 1 1 A 36 36 PHE HA H 36 4.858 5.232 -0.374 1
1 424 . 8 1 1 A 36 36 PHE C C 36 175.868 172.721 3.147 1
1 425 . 8 1 1 A 36 36 PHE CA C 36 57.122 54.991 2.131 1
1 426 . 8 1 1 A 36 36 PHE CB C 36 41.812 41.436 0.376 1
1 427 . 8 1 1 A 36 36 PHE N N 36 117.347 120.004 -2.657 1
1 428 . 8 1 1 A 37 37 SER H H 37 8.943 8.400 0.543 1
1 429 . 8 1 1 A 37 37 SER HA H 37 4.623 4.699 -0.076 1
1 432 . 8 1 1 A 37 37 SER C C 37 173.490 173.835 -0.345 1
1 433 . 8 1 1 A 37 37 SER CA C 37 57.432 57.918 -0.486 1
1 434 . 8 1 1 A 37 37 SER CB C 37 63.994 63.813 0.181 1
1 435 . 8 1 1 A 37 37 SER N N 37 117.034 115.322 1.712 1
1 436 . 8 1 1 A 38 38 LEU H H 38 8.787 8.948 -0.161 1
1 437 . 8 1 1 A 38 38 LEU HA H 38 5.072 4.692 0.380 1
1 447 . 8 1 1 A 38 38 LEU C C 38 175.467 175.723 -0.256 1
1 448 . 8 1 1 A 38 38 LEU CA C 38 53.994 53.730 0.264 1
1 449 . 8 1 1 A 38 38 LEU CB C 38 43.057 42.416 0.641 1
1 453 . 8 1 1 A 38 38 LEU N N 38 124.534 129.028 -4.494 1
1 454 . 8 1 1 A 39 39 HIS H H 39 9.132 8.654 0.478 1
1 455 . 8 1 1 A 39 39 HIS HA H 39 5.434 5.795 -0.361 1
1 458 . 8 1 1 A 39 39 HIS C C 39 174.656 172.971 1.685 1
1 459 . 8 1 1 A 39 39 HIS CA C 39 53.994 53.461 0.533 1
1 460 . 8 1 1 A 39 39 HIS CB C 39 35.869 33.294 2.575 1
1 461 . 8 1 1 A 39 39 HIS N N 39 121.803 120.557 1.246 1
1 462 . 8 1 1 A 40 40 THR H H 40 9.101 8.725 0.376 1
1 463 . 8 1 1 A 40 40 THR HA H 40 4.947 4.718 0.229 1
1 468 . 8 1 1 A 40 40 THR C C 40 173.373 174.092 -0.719 1
1 469 . 8 1 1 A 40 40 THR CA C 40 60.872 61.112 -0.240 1
1 470 . 8 1 1 A 40 40 THR CB C 40 69.934 70.440 -0.506 1
1 472 . 8 1 1 A 40 40 THR N N 40 114.826 112.114 2.712 1
1 473 . 8 1 1 A 41 41 GLN H H 41 9.462 9.373 0.089 1
1 474 . 8 1 1 A 41 41 GLN HA H 41 3.967 4.023 -0.056 1
1 479 . 8 1 1 A 41 41 GLN C C 41 176.031 175.713 0.318 1
1 480 . 8 1 1 A 41 41 GLN CA C 41 56.809 56.964 -0.155 1
1 481 . 8 1 1 A 41 41 GLN CB C 41 27.119 27.255 -0.136 1
1 483 . 8 1 1 A 41 41 GLN N N 41 125.458 122.661 2.797 1
1 484 . 8 1 1 A 42 42 GLY H H 42 9.114 8.837 0.277 1
1 485 . 8 1 1 A 42 42 GLY HA2 H 42 3.681 3.418 0.263 1
1 486 . 8 1 1 A 42 42 GLY HA3 H 42 4.177 3.738 0.439 1
1 487 . 8 1 1 A 42 42 GLY C C 42 173.977 173.725 0.252 1
1 488 . 8 1 1 A 42 42 GLY CA C 42 45.557 45.574 -0.017 1
1 489 . 8 1 1 A 42 42 GLY N N 42 105.029 104.515 0.514 1
1 490 . 8 1 1 A 43 43 ARG H H 43 8.140 7.912 0.228 1
1 491 . 8 1 1 A 43 43 ARG HA H 43 4.725 4.617 0.108 1
1 498 . 8 1 1 A 43 43 ARG CA C 43 53.994 54.390 -0.396 1
1 499 . 8 1 1 A 43 43 ARG CB C 43 32.744 32.621 0.123 1
1 502 . 8 1 1 A 43 43 ARG N N 43 121.025 119.872 1.153 1
1 503 . 8 1 1 A 44 44 VAL HA H 44 3.819 4.094 -0.275 1
1 511 . 8 1 1 A 44 44 VAL C C 44 176.124 175.773 0.351 1
1 512 . 8 1 1 A 44 44 VAL CA C 44 62.747 63.368 -0.621 1
1 513 . 8 1 1 A 44 44 VAL CB C 44 32.125 32.001 0.124 1
1 516 . 8 1 1 A 45 45 LEU H H 45 8.513 8.741 -0.228 1
1 517 . 8 1 1 A 45 45 LEU HA H 45 4.388 4.784 -0.396 1
1 527 . 8 1 1 A 45 45 LEU C C 45 177.197 177.577 -0.380 1
1 528 . 8 1 1 A 45 45 LEU CA C 45 53.682 53.804 -0.122 1
1 529 . 8 1 1 A 45 45 LEU CB C 45 42.437 42.896 -0.459 1
1 533 . 8 1 1 A 45 45 LEU N N 45 129.261 129.239 0.022 1
1 534 . 8 1 1 A 46 46 SER H H 46 8.238 8.742 -0.504 1
1 535 . 8 1 1 A 46 46 SER HA H 46 4.441 4.791 -0.350 1
1 538 . 8 1 1 A 46 46 SER C C 46 175.052 175.972 -0.920 1
1 539 . 8 1 1 A 46 46 SER CA C 46 57.744 57.380 0.364 1
1 540 . 8 1 1 A 46 46 SER CB C 46 63.682 64.921 -1.239 1
1 541 . 8 1 1 A 46 46 SER N N 46 116.459 118.725 -2.266 1
1 542 . 8 1 1 A 47 47 GLU H H 47 8.743 9.040 -0.297 1
1 543 . 8 1 1 A 47 47 GLU HA H 47 4.009 4.048 -0.039 1
1 548 . 8 1 1 A 47 47 GLU C C 47 176.054 177.442 -1.388 1
1 549 . 8 1 1 A 47 47 GLU CA C 47 59.307 59.372 -0.065 1
1 550 . 8 1 1 A 47 47 GLU CB C 47 29.619 29.424 0.195 1
1 552 . 8 1 1 A 47 47 GLU N N 47 121.669 121.734 -0.065 1
1 553 . 8 1 1 A 48 48 ALA H H 48 7.738 7.393 0.345 1
1 554 . 8 1 1 A 48 48 ALA HA H 48 4.477 4.465 0.012 1
1 558 . 8 1 1 A 48 48 ALA C C 48 177.267 177.567 -0.300 1
1 559 . 8 1 1 A 48 48 ALA CA C 48 50.873 51.612 -0.739 1
1 560 . 8 1 1 A 48 48 ALA CB C 48 19.000 19.543 -0.543 1
1 561 . 8 1 1 A 48 48 ALA N N 48 117.799 120.839 -3.040 1
1 562 . 8 1 1 A 49 49 ALA H H 49 7.597 7.669 -0.072 1
1 563 . 8 1 1 A 49 49 ALA HA H 49 4.086 4.218 -0.132 1
1 567 . 8 1 1 A 49 49 ALA C C 49 177.104 176.878 0.226 1
1 568 . 8 1 1 A 49 49 ALA CA C 49 52.748 53.253 -0.505 1
1 569 . 8 1 1 A 49 49 ALA CB C 49 19.938 19.179 0.759 1
1 570 . 8 1 1 A 49 49 ALA N N 49 122.785 122.294 0.491 1
1 571 . 8 1 1 A 50 50 GLU H H 50 8.511 8.677 -0.166 1
1 572 . 8 1 1 A 50 50 GLU HA H 50 4.140 4.782 -0.642 1
1 577 . 8 1 1 A 50 50 GLU C C 50 176.054 175.520 0.534 1
1 578 . 8 1 1 A 50 50 GLU CA C 50 56.807 55.418 1.389 1
1 579 . 8 1 1 A 50 50 GLU CB C 50 30.557 31.149 -0.592 1
1 581 . 8 1 1 A 50 50 GLU N N 50 121.303 124.209 -2.906 1
1 582 . 8 1 1 A 51 51 LEU H H 51 8.047 8.692 -0.645 1
1 583 . 8 1 1 A 51 51 LEU HA H 51 4.501 4.965 -0.464 1
1 593 . 8 1 1 A 51 51 LEU C C 51 174.656 175.662 -1.006 1
1 594 . 8 1 1 A 51 51 LEU CA C 51 53.379 53.438 -0.059 1
1 595 . 8 1 1 A 51 51 LEU CB C 51 42.121 43.492 -1.371 1
1 599 . 8 1 1 A 51 51 LEU N N 51 122.325 128.721 -6.396 1
1 600 . 8 1 1 A 52 52 ASN H H 52 7.424 8.739 -1.315 1
1 601 . 8 1 1 A 52 52 ASN HA H 52 5.067 5.073 -0.006 1
1 606 . 8 1 1 A 52 52 ASN C C 52 173.094 172.729 0.365 1
1 607 . 8 1 1 A 52 52 ASN CA C 52 52.119 51.083 1.036 1
1 608 . 8 1 1 A 52 52 ASN CB C 52 42.744 41.147 1.597 1
1 609 . 8 1 1 A 52 52 ASN N N 52 115.275 118.022 -2.747 1
1 611 . 8 1 1 A 53 53 ASP H H 53 8.495 8.598 -0.103 1
1 612 . 8 1 1 A 53 53 ASP HA H 53 4.376 4.715 -0.339 1
1 615 . 8 1 1 A 53 53 ASP C C 53 176.544 176.759 -0.215 1
1 616 . 8 1 1 A 53 53 ASP CA C 53 55.869 54.255 1.614 1
1 617 . 8 1 1 A 53 53 ASP CB C 53 41.807 41.589 0.218 1
1 618 . 8 1 1 A 53 53 ASP N N 53 118.480 121.698 -3.218 1
1 619 . 8 1 1 A 54 54 LYS H H 54 9.479 8.878 0.601 1
1 620 . 8 1 1 A 54 54 LYS HA H 54 3.713 3.778 -0.065 1
1 621 . 8 1 1 A 54 54 LYS C C 54 175.495 175.613 -0.118 1
1 622 . 8 1 1 A 54 54 LYS CA C 54 57.750 57.032 0.718 1
1 623 . 8 1 1 A 54 54 LYS N N 54 119.414 120.729 -1.315 1
1 624 . 8 1 1 A 55 55 MET H H 55 7.665 8.405 -0.740 1
1 625 . 8 1 1 A 55 55 MET HA H 55 4.198 4.714 -0.516 1
1 630 . 8 1 1 A 55 55 MET C C 55 173.746 174.655 -0.909 1
1 631 . 8 1 1 A 55 55 MET CA C 55 57.119 55.079 2.040 1
1 632 . 8 1 1 A 55 55 MET CB C 55 34.932 34.767 0.165 1
1 634 . 8 1 1 A 55 55 MET N N 55 119.804 118.219 1.585 1
1 635 . 8 1 1 A 56 56 VAL H H 56 8.282 8.490 -0.208 1
1 636 . 8 1 1 A 56 56 VAL HA H 56 4.831 4.743 0.088 1
1 644 . 8 1 1 A 56 56 VAL C C 56 176.264 174.794 1.470 1
1 645 . 8 1 1 A 56 56 VAL CA C 56 61.497 61.756 -0.259 1
1 646 . 8 1 1 A 56 56 VAL CB C 56 32.437 34.089 -1.652 1
1 649 . 8 1 1 A 56 56 VAL N N 56 122.814 120.018 2.796 1
1 650 . 8 1 1 A 57 57 ILE H H 57 9.651 9.140 0.511 1
1 651 . 8 1 1 A 57 57 ILE HA H 57 4.644 4.734 -0.090 1
1 661 . 8 1 1 A 57 57 ILE C C 57 173.770 174.525 -0.755 1
1 662 . 8 1 1 A 57 57 ILE CA C 57 59.307 60.542 -1.235 1
1 663 . 8 1 1 A 57 57 ILE CB C 57 41.494 39.934 1.560 1
1 667 . 8 1 1 A 57 57 ILE N N 57 132.467 128.467 4.000 1
1 668 . 8 1 1 A 58 58 ASP H H 58 9.257 8.679 0.578 1
1 669 . 8 1 1 A 58 58 ASP HA H 58 5.173 4.923 0.250 1
1 672 . 8 1 1 A 58 58 ASP C C 58 173.886 174.915 -1.029 1
1 673 . 8 1 1 A 58 58 ASP CA C 58 53.994 53.082 0.912 1
1 674 . 8 1 1 A 58 58 ASP CB C 58 43.682 41.531 2.151 1
1 675 . 8 1 1 A 58 58 ASP N N 58 127.121 128.328 -1.207 1
1 676 . 8 1 1 A 59 59 ALA H H 59 8.424 9.006 -0.582 1
1 677 . 8 1 1 A 59 59 ALA HA H 59 5.335 4.995 0.340 1
1 681 . 8 1 1 A 59 59 ALA C C 59 175.611 175.637 -0.026 1
1 682 . 8 1 1 A 59 59 ALA CA C 59 49.935 50.402 -0.467 1
1 683 . 8 1 1 A 59 59 ALA CB C 59 20.875 20.042 0.833 1
1 684 . 8 1 1 A 59 59 ALA N N 59 125.860 129.608 -3.748 1
1 685 . 8 1 1 A 60 60 PHE H H 60 8.621 9.150 -0.529 1
1 686 . 8 1 1 A 60 60 PHE HA H 60 4.986 5.149 -0.163 1
1 693 . 8 1 1 A 60 60 PHE C C 60 174.469 174.309 0.160 1
1 694 . 8 1 1 A 60 60 PHE CA C 60 55.872 56.322 -0.450 1
1 695 . 8 1 1 A 60 60 PHE CB C 60 41.187 41.390 -0.203 1
1 696 . 8 1 1 A 60 60 PHE N N 60 119.918 125.984 -6.066 1
1 697 . 8 1 1 A 61 61 VAL H H 61 8.648 8.189 0.459 1
1 698 . 8 1 1 A 61 61 VAL HA H 61 4.458 4.415 0.043 1
1 706 . 8 1 1 A 61 61 VAL CA C 61 59.622 58.751 0.871 1
1 707 . 8 1 1 A 61 61 VAL CB C 61 32.437 32.974 -0.537 1
1 710 . 8 1 1 A 61 61 VAL N N 61 123.408 123.421 -0.013 1
1 711 . 8 1 1 A 62 62 PRO HA H 62 4.395 4.462 -0.067 1
1 718 . 8 1 1 A 62 62 PRO C C 62 176.614 176.966 -0.352 1
1 719 . 8 1 1 A 62 62 PRO CA C 62 63.057 62.434 0.623 1
1 720 . 8 1 1 A 62 62 PRO CB C 62 32.119 32.402 -0.283 1
1 723 . 8 1 1 A 63 63 ALA H H 63 8.410 8.328 0.082 1
1 724 . 8 1 1 A 63 63 ALA HA H 63 4.281 4.405 -0.124 1
1 728 . 8 1 1 A 63 63 ALA C C 63 177.527 177.411 0.116 1
1 729 . 8 1 1 A 63 63 ALA CA C 63 52.435 51.496 0.939 1
1 730 . 8 1 1 A 63 63 ALA CB C 63 19.000 19.912 -0.912 1
1 731 . 8 1 1 A 63 63 ALA N N 63 124.350 124.002 0.348 1
1 732 . 8 1 1 A 64 64 ASP H H 64 8.264 8.537 -0.273 1
1 733 . 8 1 1 A 64 64 ASP HA H 64 4.571 4.585 -0.014 1
1 736 . 8 1 1 A 64 64 ASP C C 64 176.824 176.577 0.247 1
1 737 . 8 1 1 A 64 64 ASP CA C 64 53.994 54.690 -0.696 1
1 738 . 8 1 1 A 64 64 ASP CB C 64 41.182 40.940 0.242 1
1 739 . 8 1 1 A 64 64 ASP N N 64 118.930 120.434 -1.504 1
1 740 . 8 1 1 A 65 65 GLY H H 65 8.289 8.822 -0.533 1
1 741 . 8 1 1 A 65 65 GLY HA2 H 65 3.906 4.133 -0.227 1
1 742 . 8 1 1 A 65 65 GLY HA3 H 65 3.906 4.136 -0.230 1
1 743 . 8 1 1 A 65 65 GLY C C 65 174.096 172.535 1.561 1
1 744 . 8 1 1 A 65 65 GLY CA C 65 45.249 44.648 0.601 1
1 745 . 8 1 1 A 65 65 GLY N N 65 109.281 111.817 -2.536 1
1 746 . 8 1 1 A 66 66 ALA H H 66 8.147 8.655 -0.508 1
1 747 . 8 1 1 A 66 66 ALA HA H 66 4.306 4.920 -0.614 1
1 751 . 8 1 1 A 66 66 ALA CA C 66 52.435 51.179 1.256 1
1 752 . 8 1 1 A 66 66 ALA CB C 66 19.000 21.053 -2.053 1
1 753 . 8 1 1 A 66 66 ALA N N 66 123.586 123.157 0.429 1
1 754 . 8 1 1 A 67 67 GLY H H 67 8.414 8.424 -0.010 1
1 755 . 8 1 1 A 67 67 GLY HA2 H 67 3.921 4.129 -0.208 1
1 756 . 8 1 1 A 67 67 GLY HA3 H 67 3.921 4.130 -0.209 1
1 757 . 8 1 1 A 67 67 GLY C C 67 174.306 175.422 -1.116 1
1 758 . 8 1 1 A 67 67 GLY CA C 67 45.561 45.557 0.004 1
1 759 . 8 1 1 A 67 67 GLY N N 67 108.025 111.666 -3.641 1
1 760 . 8 1 1 A 68 68 LEU H H 68 7.994 8.014 -0.020 1
1 761 . 8 1 1 A 68 68 LEU HA H 68 4.265 4.001 0.264 1
1 771 . 8 1 1 A 68 68 LEU C C 68 177.430 177.803 -0.373 1
1 772 . 8 1 1 A 68 68 LEU CA C 68 54.935 58.092 -3.157 1
1 773 . 8 1 1 A 68 68 LEU CB C 68 42.124 42.284 -0.160 1
1 777 . 8 1 1 A 68 68 LEU N N 68 121.101 120.487 0.614 1
1 16 . 9 1 1 A 2 2 LEU H H 2 9.099 8.728 0.371 1
1 17 . 9 1 1 A 2 2 LEU HA H 2 5.183 5.103 0.080 1
1 26 . 9 1 1 A 2 2 LEU C C 2 176.031 174.648 1.383 1
1 27 . 9 1 1 A 2 2 LEU CA C 2 53.682 53.589 0.093 1
1 28 . 9 1 1 A 2 2 LEU CB C 2 43.994 45.006 -1.012 1
1 31 . 9 1 1 A 2 2 LEU N N 2 125.441 128.048 -2.607 1
1 32 . 9 1 1 A 3 3 VAL H H 3 9.070 8.879 0.191 1
1 33 . 9 1 1 A 3 3 VAL HA H 3 4.720 4.565 0.155 1
1 41 . 9 1 1 A 3 3 VAL C C 3 173.653 174.995 -1.342 1
1 42 . 9 1 1 A 3 3 VAL CA C 3 59.935 61.608 -1.673 1
1 43 . 9 1 1 A 3 3 VAL CB C 3 34.312 34.577 -0.265 1
1 46 . 9 1 1 A 3 3 VAL N N 3 123.079 126.261 -3.182 1
1 47 . 9 1 1 A 4 4 ILE H H 4 8.552 9.269 -0.717 1
1 48 . 9 1 1 A 4 4 ILE HA H 4 4.530 4.522 0.008 1
1 58 . 9 1 1 A 4 4 ILE C C 4 174.344 175.514 -1.170 1
1 59 . 9 1 1 A 4 4 ILE CA C 4 59.313 60.977 -1.664 1
1 60 . 9 1 1 A 4 4 ILE CB C 4 38.999 36.947 2.052 1
1 64 . 9 1 1 A 4 4 ILE N N 4 124.929 128.518 -3.589 1
1 65 . 9 1 1 A 5 5 VAL H H 5 8.911 8.563 0.348 1
1 66 . 9 1 1 A 5 5 VAL HA H 5 4.968 4.588 0.380 1
1 74 . 9 1 1 A 5 5 VAL C C 5 174.722 175.454 -0.732 1
1 75 . 9 1 1 A 5 5 VAL CA C 5 60.247 62.501 -2.254 1
1 76 . 9 1 1 A 5 5 VAL CB C 5 33.369 32.124 1.245 1
1 79 . 9 1 1 A 5 5 VAL N N 5 127.032 128.343 -1.311 1
1 80 . 9 1 1 A 6 6 ARG H H 6 9.417 8.986 0.431 1
1 81 . 9 1 1 A 6 6 ARG HA H 6 4.945 4.700 0.245 1
1 89 . 9 1 1 A 6 6 ARG C C 6 174.662 175.555 -0.893 1
1 90 . 9 1 1 A 6 6 ARG CA C 6 55.557 55.650 -0.093 1
1 91 . 9 1 1 A 6 6 ARG CB C 6 30.557 31.155 -0.598 1
1 94 . 9 1 1 A 6 6 ARG N N 6 127.895 127.889 0.006 1
1 96 . 9 1 1 A 7 7 LEU H H 7 8.368 8.760 -0.392 1
1 97 . 9 1 1 A 7 7 LEU HA H 7 4.761 4.439 0.322 1
1 107 . 9 1 1 A 7 7 LEU C C 7 175.869 178.364 -2.495 1
1 108 . 9 1 1 A 7 7 LEU CA C 7 53.682 54.143 -0.461 1
1 109 . 9 1 1 A 7 7 LEU CB C 7 43.994 42.033 1.961 1
1 112 . 9 1 1 A 7 7 LEU N N 7 127.357 126.323 1.034 1
1 113 . 9 1 1 A 8 8 GLN H H 8 9.244 8.465 0.779 1
1 114 . 9 1 1 A 8 8 GLN HA H 8 3.825 3.920 -0.095 1
1 119 . 9 1 1 A 8 8 GLN C C 8 175.478 176.559 -1.081 1
1 120 . 9 1 1 A 8 8 GLN CA C 8 58.372 59.356 -0.984 1
1 121 . 9 1 1 A 8 8 GLN CB C 8 27.125 28.534 -1.409 1
1 123 . 9 1 1 A 8 8 GLN N N 8 123.025 120.384 2.641 1
1 124 . 9 1 1 A 9 9 ASP H H 9 8.622 8.194 0.428 1
1 125 . 9 1 1 A 9 9 ASP HA H 9 4.609 4.700 -0.091 1
1 128 . 9 1 1 A 9 9 ASP C C 9 175.352 174.091 1.261 1
1 129 . 9 1 1 A 9 9 ASP CA C 9 54.619 53.189 1.430 1
1 130 . 9 1 1 A 9 9 ASP CB C 9 40.576 41.424 -0.848 1
1 131 . 9 1 1 A 9 9 ASP N N 9 117.207 117.688 -0.481 1
1 132 . 9 1 1 A 10 10 GLN H H 10 7.972 7.583 0.389 1
1 133 . 9 1 1 A 10 10 GLN HA H 10 4.644 4.950 -0.306 1
1 138 . 9 1 1 A 10 10 GLN C C 10 174.812 174.633 0.179 1
1 139 . 9 1 1 A 10 10 GLN CA C 10 54.932 54.424 0.508 1
1 140 . 9 1 1 A 10 10 GLN CB C 10 31.807 33.695 -1.888 1
1 142 . 9 1 1 A 10 10 GLN N N 10 118.451 118.934 -0.483 1
1 143 . 9 1 1 A 11 11 THR H H 11 8.593 8.488 0.105 1
1 144 . 9 1 1 A 11 11 THR HA H 11 4.874 5.194 -0.320 1
1 149 . 9 1 1 A 11 11 THR C C 11 173.521 173.305 0.216 1
1 150 . 9 1 1 A 11 11 THR CA C 11 61.810 61.486 0.324 1
1 151 . 9 1 1 A 11 11 THR CB C 11 69.934 71.865 -1.931 1
1 153 . 9 1 1 A 11 11 THR N N 11 118.464 115.751 2.713 1
1 154 . 9 1 1 A 12 12 LEU H H 12 9.554 8.614 0.940 1
1 155 . 9 1 1 A 12 12 LEU HA H 12 4.872 4.756 0.116 1
1 164 . 9 1 1 A 12 12 LEU CA C 12 51.494 51.179 0.315 1
1 165 . 9 1 1 A 12 12 LEU CB C 12 44.932 45.679 -0.747 1
1 168 . 9 1 1 A 12 12 LEU N N 12 128.567 125.825 2.742 1
1 169 . 9 1 1 A 13 13 PRO HA H 13 5.141 4.804 0.337 1
1 176 . 9 1 1 A 13 13 PRO C C 13 176.800 175.572 1.228 1
1 177 . 9 1 1 A 13 13 PRO CA C 13 60.869 62.479 -1.610 1
1 178 . 9 1 1 A 13 13 PRO CB C 13 32.119 33.070 -0.951 1
1 181 . 9 1 1 A 14 14 PHE H H 14 9.302 8.756 0.546 1
1 182 . 9 1 1 A 14 14 PHE HA H 14 4.622 5.004 -0.382 1
1 189 . 9 1 1 A 14 14 PHE C C 14 173.677 174.395 -0.718 1
1 190 . 9 1 1 A 14 14 PHE CA C 14 57.747 56.443 1.304 1
1 191 . 9 1 1 A 14 14 PHE CB C 14 42.749 41.161 1.588 1
1 192 . 9 1 1 A 14 14 PHE N N 14 121.778 121.029 0.749 1
1 193 . 9 1 1 A 15 15 GLU H H 15 8.516 8.773 -0.257 1
1 194 . 9 1 1 A 15 15 GLU HA H 15 5.260 4.672 0.588 1
1 199 . 9 1 1 A 15 15 GLU C C 15 175.821 175.694 0.127 1
1 200 . 9 1 1 A 15 15 GLU CA C 15 54.932 56.337 -1.405 1
1 201 . 9 1 1 A 15 15 GLU CB C 15 30.244 30.469 -0.225 1
1 203 . 9 1 1 A 15 15 GLU N N 15 123.002 125.033 -2.031 1
1 204 . 9 1 1 A 16 16 LEU H H 16 8.937 8.837 0.100 1
1 205 . 9 1 1 A 16 16 LEU HA H 16 4.952 4.841 0.111 1
1 215 . 9 1 1 A 16 16 LEU CA C 16 51.494 51.687 -0.193 1
1 216 . 9 1 1 A 16 16 LEU CB C 16 44.941 43.538 1.403 1
1 220 . 9 1 1 A 16 16 LEU N N 16 126.803 129.142 -2.339 1
1 221 . 9 1 1 A 17 17 PRO HA H 17 4.547 4.614 -0.067 1
1 228 . 9 1 1 A 17 17 PRO C C 17 175.472 176.042 -0.570 1
1 229 . 9 1 1 A 17 17 PRO CA C 17 62.119 62.363 -0.244 1
1 230 . 9 1 1 A 17 17 PRO CB C 17 32.119 32.547 -0.428 1
1 233 . 9 1 1 A 18 18 ALA H H 18 7.892 8.235 -0.343 1
1 234 . 9 1 1 A 18 18 ALA HA H 18 4.065 3.960 0.105 1
1 238 . 9 1 1 A 18 18 ALA C C 18 178.735 178.267 0.468 1
1 239 . 9 1 1 A 18 18 ALA CA C 18 53.060 53.899 -0.839 1
1 240 . 9 1 1 A 18 18 ALA CB C 18 18.063 18.348 -0.285 1
1 241 . 9 1 1 A 18 18 ALA N N 18 121.997 124.984 -2.987 1
1 242 . 9 1 1 A 19 19 GLY H H 19 8.519 8.972 -0.453 1
1 243 . 9 1 1 A 19 19 GLY HA2 H 19 3.754 3.920 -0.166 1
1 244 . 9 1 1 A 19 19 GLY HA3 H 19 4.066 3.921 0.145 1
1 245 . 9 1 1 A 19 19 GLY C C 19 174.376 175.079 -0.703 1
1 246 . 9 1 1 A 19 19 GLY CA C 19 44.625 45.434 -0.809 1
1 247 . 9 1 1 A 19 19 GLY N N 19 110.335 111.028 -0.693 1
1 248 . 9 1 1 A 20 20 ALA H H 20 7.459 7.766 -0.307 1
1 249 . 9 1 1 A 20 20 ALA HA H 20 4.210 4.487 -0.277 1
1 253 . 9 1 1 A 20 20 ALA C C 20 176.171 176.332 -0.161 1
1 254 . 9 1 1 A 20 20 ALA CA C 20 52.751 52.469 0.282 1
1 255 . 9 1 1 A 20 20 ALA CB C 20 20.563 20.354 0.209 1
1 256 . 9 1 1 A 20 20 ALA N N 20 121.746 123.674 -1.928 1
1 257 . 9 1 1 A 21 21 ARG H H 21 8.148 8.552 -0.404 1
1 258 . 9 1 1 A 21 21 ARG HA H 21 5.132 4.841 0.291 1
1 265 . 9 1 1 A 21 21 ARG C C 21 178.292 176.246 2.046 1
1 266 . 9 1 1 A 21 21 ARG CA C 21 53.369 54.224 -0.855 1
1 267 . 9 1 1 A 21 21 ARG CB C 21 32.921 33.511 -0.590 1
1 270 . 9 1 1 A 21 21 ARG N N 21 118.121 119.046 -0.925 1
1 271 . 9 1 1 A 22 22 ALA H H 22 8.867 8.587 0.280 1
1 272 . 9 1 1 A 22 22 ALA HA H 22 3.799 4.017 -0.218 1
1 276 . 9 1 1 A 22 22 ALA C C 22 178.735 179.627 -0.892 1
1 277 . 9 1 1 A 22 22 ALA CA C 22 55.872 55.610 0.262 1
1 278 . 9 1 1 A 22 22 ALA CB C 22 18.375 18.171 0.204 1
1 279 . 9 1 1 A 22 22 ALA N N 22 123.186 124.243 -1.057 1
1 280 . 9 1 1 A 23 23 SER H H 23 8.383 8.137 0.246 1
1 281 . 9 1 1 A 23 23 SER HA H 23 4.205 4.034 0.171 1
1 284 . 9 1 1 A 23 23 SER C C 23 176.754 177.133 -0.379 1
1 285 . 9 1 1 A 23 23 SER CA C 23 60.557 61.453 -0.896 1
1 286 . 9 1 1 A 23 23 SER CB C 23 61.807 62.935 -1.128 1
1 287 . 9 1 1 A 23 23 SER N N 23 111.612 113.220 -1.608 1
1 288 . 9 1 1 A 24 24 GLN H H 24 7.744 8.082 -0.338 1
1 289 . 9 1 1 A 24 24 GLN HA H 24 4.173 3.989 0.184 1
1 294 . 9 1 1 A 24 24 GLN C C 24 178.689 177.955 0.734 1
1 295 . 9 1 1 A 24 24 GLN CA C 24 58.682 59.011 -0.329 1
1 296 . 9 1 1 A 24 24 GLN CB C 24 28.682 28.330 0.352 1
1 298 . 9 1 1 A 24 24 GLN N N 24 121.537 120.559 0.978 1
1 299 . 9 1 1 A 25 25 LEU H H 25 7.199 7.797 -0.598 1
1 300 . 9 1 1 A 25 25 LEU HA H 25 3.970 4.008 -0.038 1
1 310 . 9 1 1 A 25 25 LEU C C 25 177.966 178.632 -0.666 1
1 311 . 9 1 1 A 25 25 LEU CA C 25 56.810 57.834 -1.024 1
1 312 . 9 1 1 A 25 25 LEU CB C 25 41.494 41.110 0.384 1
1 316 . 9 1 1 A 25 25 LEU N N 25 119.709 121.404 -1.695 1
1 317 . 9 1 1 A 26 26 SER H H 26 8.650 8.078 0.572 1
1 318 . 9 1 1 A 26 26 SER HA H 26 3.970 3.844 0.126 1
1 321 . 9 1 1 A 26 26 SER C C 26 176.917 176.234 0.683 1
1 322 . 9 1 1 A 26 26 SER CA C 26 62.744 61.826 0.918 1
1 323 . 9 1 1 A 26 26 SER CB C 26 62.119 62.413 -0.294 1
1 324 . 9 1 1 A 26 26 SER N N 26 114.988 116.176 -1.188 1
1 325 . 9 1 1 A 27 27 ASN H H 27 7.876 8.207 -0.331 1
1 326 . 9 1 1 A 27 27 ASN HA H 27 4.517 4.409 0.108 1
1 329 . 9 1 1 A 27 27 ASN C C 27 177.197 177.882 -0.685 1
1 330 . 9 1 1 A 27 27 ASN CA C 27 55.869 56.221 -0.352 1
1 331 . 9 1 1 A 27 27 ASN CB C 27 38.369 38.751 -0.382 1
1 332 . 9 1 1 A 27 27 ASN N N 27 118.197 120.049 -1.852 1
1 333 . 9 1 1 A 28 28 LEU H H 28 7.433 8.066 -0.633 1
1 334 . 9 1 1 A 28 28 LEU HA H 28 4.219 4.026 0.193 1
1 344 . 9 1 1 A 28 28 LEU C C 28 179.411 179.402 0.009 1
1 345 . 9 1 1 A 28 28 LEU CA C 28 57.122 58.043 -0.921 1
1 346 . 9 1 1 A 28 28 LEU CB C 28 41.984 41.868 0.116 1
1 350 . 9 1 1 A 28 28 LEU N N 28 120.223 119.802 0.421 1
1 351 . 9 1 1 A 29 29 LEU H H 29 7.866 7.928 -0.062 1
1 352 . 9 1 1 A 29 29 LEU HA H 29 4.091 3.997 0.094 1
1 362 . 9 1 1 A 29 29 LEU C C 29 178.386 178.794 -0.408 1
1 363 . 9 1 1 A 29 29 LEU CA C 29 56.497 57.648 -1.151 1
1 364 . 9 1 1 A 29 29 LEU CB C 29 42.124 41.223 0.901 1
1 368 . 9 1 1 A 29 29 LEU N N 29 119.017 118.273 0.744 1
1 369 . 9 1 1 A 30 30 SER H H 30 8.117 7.996 0.121 1
1 370 . 9 1 1 A 30 30 SER HA H 30 4.615 4.152 0.463 1
1 373 . 9 1 1 A 30 30 SER C C 30 175.145 176.891 -1.746 1
1 374 . 9 1 1 A 30 30 SER CA C 30 59.932 61.508 -1.576 1
1 375 . 9 1 1 A 30 30 SER CB C 30 63.057 62.928 0.129 1
1 376 . 9 1 1 A 30 30 SER N N 30 114.044 114.483 -0.439 1
1 377 . 9 1 1 A 31 31 SER H H 31 8.084 8.254 -0.170 1
1 378 . 9 1 1 A 31 31 SER HA H 31 4.535 4.250 0.285 1
1 381 . 9 1 1 A 31 31 SER CA C 31 58.994 61.088 -2.094 1
1 382 . 9 1 1 A 31 31 SER CB C 31 63.682 63.219 0.463 1
1 383 . 9 1 1 A 31 31 SER N N 31 115.938 115.684 0.254 1
1 384 . 9 1 1 A 32 32 SER HA H 32 4.547 4.731 -0.184 1
1 387 . 9 1 1 A 32 32 SER CA C 32 58.682 58.045 0.637 1
1 388 . 9 1 1 A 32 32 SER CB C 32 63.369 63.076 0.293 1
1 389 . 9 1 1 A 33 33 GLY H H 33 8.080 8.823 -0.743 1
1 390 . 9 1 1 A 33 33 GLY HA2 H 33 3.786 3.888 -0.102 1
1 391 . 9 1 1 A 33 33 GLY HA3 H 33 4.160 3.920 0.240 1
1 392 . 9 1 1 A 33 33 GLY C C 33 173.746 173.865 -0.119 1
1 393 . 9 1 1 A 33 33 GLY CA C 33 45.561 47.320 -1.759 1
1 394 . 9 1 1 A 33 33 GLY N N 33 109.530 116.188 -6.658 1
1 395 . 9 1 1 A 34 34 MET H H 34 7.781 7.935 -0.154 1
1 396 . 9 1 1 A 34 34 MET HA H 34 4.371 5.105 -0.734 1
1 401 . 9 1 1 A 34 34 MET C C 34 174.073 173.847 0.226 1
1 402 . 9 1 1 A 34 34 MET CA C 34 54.619 54.224 0.395 1
1 403 . 9 1 1 A 34 34 MET CB C 34 33.994 37.365 -3.371 1
1 405 . 9 1 1 A 34 34 MET N N 34 119.527 121.899 -2.372 1
1 406 . 9 1 1 A 35 35 ALA H H 35 7.956 8.864 -0.908 1
1 407 . 9 1 1 A 35 35 ALA HA H 35 4.374 4.643 -0.269 1
1 411 . 9 1 1 A 35 35 ALA C C 35 175.915 175.514 0.401 1
1 412 . 9 1 1 A 35 35 ALA CA C 35 51.185 50.597 0.588 1
1 413 . 9 1 1 A 35 35 ALA CB C 35 19.000 20.479 -1.479 1
1 414 . 9 1 1 A 35 35 ALA N N 35 125.314 121.432 3.882 1
1 415 . 9 1 1 A 36 36 PHE H H 36 7.838 7.844 -0.006 1
1 416 . 9 1 1 A 36 36 PHE HA H 36 4.858 5.286 -0.428 1
1 424 . 9 1 1 A 36 36 PHE C C 36 175.868 172.904 2.964 1
1 425 . 9 1 1 A 36 36 PHE CA C 36 57.122 54.923 2.199 1
1 426 . 9 1 1 A 36 36 PHE CB C 36 41.812 41.643 0.169 1
1 427 . 9 1 1 A 36 36 PHE N N 36 117.347 120.368 -3.021 1
1 428 . 9 1 1 A 37 37 SER H H 37 8.943 8.397 0.546 1
1 429 . 9 1 1 A 37 37 SER HA H 37 4.623 4.779 -0.156 1
1 432 . 9 1 1 A 37 37 SER C C 37 173.490 174.422 -0.932 1
1 433 . 9 1 1 A 37 37 SER CA C 37 57.432 58.382 -0.950 1
1 434 . 9 1 1 A 37 37 SER CB C 37 63.994 64.037 -0.043 1
1 435 . 9 1 1 A 37 37 SER N N 37 117.034 115.621 1.413 1
1 436 . 9 1 1 A 38 38 LEU H H 38 8.787 8.884 -0.097 1
1 437 . 9 1 1 A 38 38 LEU HA H 38 5.072 5.218 -0.146 1
1 447 . 9 1 1 A 38 38 LEU C C 38 175.467 175.855 -0.388 1
1 448 . 9 1 1 A 38 38 LEU CA C 38 53.994 53.356 0.638 1
1 449 . 9 1 1 A 38 38 LEU CB C 38 43.057 44.095 -1.038 1
1 453 . 9 1 1 A 38 38 LEU N N 38 124.534 124.864 -0.330 1
1 454 . 9 1 1 A 39 39 HIS H H 39 9.132 9.052 0.080 1
1 455 . 9 1 1 A 39 39 HIS HA H 39 5.434 5.886 -0.452 1
1 458 . 9 1 1 A 39 39 HIS C C 39 174.656 172.900 1.756 1
1 459 . 9 1 1 A 39 39 HIS CA C 39 53.994 53.487 0.507 1
1 460 . 9 1 1 A 39 39 HIS CB C 39 35.869 33.535 2.334 1
1 461 . 9 1 1 A 39 39 HIS N N 39 121.803 121.022 0.781 1
1 462 . 9 1 1 A 40 40 THR H H 40 9.101 8.792 0.309 1
1 463 . 9 1 1 A 40 40 THR HA H 40 4.947 4.787 0.160 1
1 468 . 9 1 1 A 40 40 THR C C 40 173.373 173.991 -0.618 1
1 469 . 9 1 1 A 40 40 THR CA C 40 60.872 59.792 1.080 1
1 470 . 9 1 1 A 40 40 THR CB C 40 69.934 71.993 -2.059 1
1 472 . 9 1 1 A 40 40 THR N N 40 114.826 115.191 -0.365 1
1 473 . 9 1 1 A 41 41 GLN H H 41 9.462 9.357 0.105 1
1 474 . 9 1 1 A 41 41 GLN HA H 41 3.967 4.037 -0.070 1
1 479 . 9 1 1 A 41 41 GLN C C 41 176.031 175.851 0.180 1
1 480 . 9 1 1 A 41 41 GLN CA C 41 56.809 57.039 -0.230 1
1 481 . 9 1 1 A 41 41 GLN CB C 41 27.119 27.205 -0.086 1
1 483 . 9 1 1 A 41 41 GLN N N 41 125.458 127.620 -2.162 1
1 484 . 9 1 1 A 42 42 GLY H H 42 9.114 8.827 0.287 1
1 485 . 9 1 1 A 42 42 GLY HA2 H 42 3.681 3.909 -0.228 1
1 486 . 9 1 1 A 42 42 GLY HA3 H 42 4.177 3.993 0.184 1
1 487 . 9 1 1 A 42 42 GLY C C 42 173.977 173.900 0.077 1
1 488 . 9 1 1 A 42 42 GLY CA C 42 45.557 45.566 -0.009 1
1 489 . 9 1 1 A 42 42 GLY N N 42 105.029 104.503 0.526 1
1 490 . 9 1 1 A 43 43 ARG H H 43 8.140 8.276 -0.136 1
1 491 . 9 1 1 A 43 43 ARG HA H 43 4.725 4.876 -0.151 1
1 498 . 9 1 1 A 43 43 ARG CA C 43 53.994 53.997 -0.003 1
1 499 . 9 1 1 A 43 43 ARG CB C 43 32.744 33.822 -1.078 1
1 502 . 9 1 1 A 43 43 ARG N N 43 121.025 120.260 0.765 1
1 503 . 9 1 1 A 44 44 VAL HA H 44 3.819 4.215 -0.396 1
1 511 . 9 1 1 A 44 44 VAL C C 44 176.124 175.652 0.472 1
1 512 . 9 1 1 A 44 44 VAL CA C 44 62.747 62.192 0.555 1
1 513 . 9 1 1 A 44 44 VAL CB C 44 32.125 32.774 -0.649 1
1 516 . 9 1 1 A 45 45 LEU H H 45 8.513 8.067 0.446 1
1 517 . 9 1 1 A 45 45 LEU HA H 45 4.388 5.013 -0.625 1
1 527 . 9 1 1 A 45 45 LEU C C 45 177.197 177.174 0.023 1
1 528 . 9 1 1 A 45 45 LEU CA C 45 53.682 53.225 0.457 1
1 529 . 9 1 1 A 45 45 LEU CB C 45 42.437 42.804 -0.367 1
1 533 . 9 1 1 A 45 45 LEU N N 45 129.261 124.364 4.897 1
1 534 . 9 1 1 A 46 46 SER H H 46 8.238 8.938 -0.700 1
1 535 . 9 1 1 A 46 46 SER HA H 46 4.441 4.751 -0.310 1
1 538 . 9 1 1 A 46 46 SER C C 46 175.052 175.970 -0.918 1
1 539 . 9 1 1 A 46 46 SER CA C 46 57.744 57.351 0.393 1
1 540 . 9 1 1 A 46 46 SER CB C 46 63.682 65.069 -1.387 1
1 541 . 9 1 1 A 46 46 SER N N 46 116.459 119.895 -3.436 1
1 542 . 9 1 1 A 47 47 GLU H H 47 8.743 9.052 -0.309 1
1 543 . 9 1 1 A 47 47 GLU HA H 47 4.009 4.056 -0.047 1
1 548 . 9 1 1 A 47 47 GLU C C 47 176.054 177.343 -1.289 1
1 549 . 9 1 1 A 47 47 GLU CA C 47 59.307 59.344 -0.037 1
1 550 . 9 1 1 A 47 47 GLU CB C 47 29.619 29.379 0.240 1
1 552 . 9 1 1 A 47 47 GLU N N 47 121.669 121.397 0.272 1
1 553 . 9 1 1 A 48 48 ALA H H 48 7.738 7.451 0.287 1
1 554 . 9 1 1 A 48 48 ALA HA H 48 4.477 4.473 0.004 1
1 558 . 9 1 1 A 48 48 ALA C C 48 177.267 177.445 -0.178 1
1 559 . 9 1 1 A 48 48 ALA CA C 48 50.873 51.541 -0.668 1
1 560 . 9 1 1 A 48 48 ALA CB C 48 19.000 19.600 -0.600 1
1 561 . 9 1 1 A 48 48 ALA N N 48 117.799 120.865 -3.066 1
1 562 . 9 1 1 A 49 49 ALA H H 49 7.597 7.590 0.007 1
1 563 . 9 1 1 A 49 49 ALA HA H 49 4.086 4.180 -0.094 1
1 567 . 9 1 1 A 49 49 ALA C C 49 177.104 177.240 -0.136 1
1 568 . 9 1 1 A 49 49 ALA CA C 49 52.748 53.179 -0.431 1
1 569 . 9 1 1 A 49 49 ALA CB C 49 19.938 19.241 0.697 1
1 570 . 9 1 1 A 49 49 ALA N N 49 122.785 122.118 0.667 1
1 571 . 9 1 1 A 50 50 GLU H H 50 8.511 8.711 -0.200 1
1 572 . 9 1 1 A 50 50 GLU HA H 50 4.140 4.433 -0.293 1
1 577 . 9 1 1 A 50 50 GLU C C 50 176.054 176.175 -0.121 1
1 578 . 9 1 1 A 50 50 GLU CA C 50 56.807 55.615 1.192 1
1 579 . 9 1 1 A 50 50 GLU CB C 50 30.557 29.121 1.436 1
1 581 . 9 1 1 A 50 50 GLU N N 50 121.303 123.467 -2.164 1
1 582 . 9 1 1 A 51 51 LEU H H 51 8.047 7.943 0.104 1
1 583 . 9 1 1 A 51 51 LEU HA H 51 4.501 4.393 0.108 1
1 593 . 9 1 1 A 51 51 LEU C C 51 174.656 175.833 -1.177 1
1 594 . 9 1 1 A 51 51 LEU CA C 51 53.379 53.841 -0.462 1
1 595 . 9 1 1 A 51 51 LEU CB C 51 42.121 43.695 -1.574 1
1 599 . 9 1 1 A 51 51 LEU N N 51 122.325 123.407 -1.082 1
1 600 . 9 1 1 A 52 52 ASN H H 52 7.424 8.622 -1.198 1
1 601 . 9 1 1 A 52 52 ASN HA H 52 5.067 5.293 -0.226 1
1 606 . 9 1 1 A 52 52 ASN C C 52 173.094 172.725 0.369 1
1 607 . 9 1 1 A 52 52 ASN CA C 52 52.119 51.717 0.402 1
1 608 . 9 1 1 A 52 52 ASN CB C 52 42.744 42.974 -0.230 1
1 609 . 9 1 1 A 52 52 ASN N N 52 115.275 116.662 -1.387 1
1 611 . 9 1 1 A 53 53 ASP H H 53 8.495 8.664 -0.169 1
1 612 . 9 1 1 A 53 53 ASP HA H 53 4.376 4.757 -0.381 1
1 615 . 9 1 1 A 53 53 ASP C C 53 176.544 176.673 -0.129 1
1 616 . 9 1 1 A 53 53 ASP CA C 53 55.869 54.169 1.700 1
1 617 . 9 1 1 A 53 53 ASP CB C 53 41.807 42.180 -0.373 1
1 618 . 9 1 1 A 53 53 ASP N N 53 118.480 121.970 -3.490 1
1 619 . 9 1 1 A 54 54 LYS H H 54 9.479 8.964 0.515 1
1 620 . 9 1 1 A 54 54 LYS HA H 54 3.713 3.949 -0.236 1
1 621 . 9 1 1 A 54 54 LYS C C 54 175.495 175.493 0.002 1
1 622 . 9 1 1 A 54 54 LYS CA C 54 57.750 57.198 0.552 1
1 623 . 9 1 1 A 54 54 LYS N N 54 119.414 124.602 -5.188 1
1 624 . 9 1 1 A 55 55 MET H H 55 7.665 7.818 -0.153 1
1 625 . 9 1 1 A 55 55 MET HA H 55 4.198 4.899 -0.701 1
1 630 . 9 1 1 A 55 55 MET C C 55 173.746 174.762 -1.016 1
1 631 . 9 1 1 A 55 55 MET CA C 55 57.119 53.391 3.728 1
1 632 . 9 1 1 A 55 55 MET CB C 55 34.932 34.640 0.292 1
1 634 . 9 1 1 A 55 55 MET N N 55 119.804 114.508 5.296 1
1 635 . 9 1 1 A 56 56 VAL H H 56 8.282 8.574 -0.292 1
1 636 . 9 1 1 A 56 56 VAL HA H 56 4.831 4.754 0.077 1
1 644 . 9 1 1 A 56 56 VAL C C 56 176.264 174.553 1.711 1
1 645 . 9 1 1 A 56 56 VAL CA C 56 61.497 61.251 0.246 1
1 646 . 9 1 1 A 56 56 VAL CB C 56 32.437 35.287 -2.850 1
1 649 . 9 1 1 A 56 56 VAL N N 56 122.814 117.577 5.237 1
1 650 . 9 1 1 A 57 57 ILE H H 57 9.651 9.381 0.270 1
1 651 . 9 1 1 A 57 57 ILE HA H 57 4.644 4.660 -0.016 1
1 661 . 9 1 1 A 57 57 ILE C C 57 173.770 174.191 -0.421 1
1 662 . 9 1 1 A 57 57 ILE CA C 57 59.307 59.964 -0.657 1
1 663 . 9 1 1 A 57 57 ILE CB C 57 41.494 40.273 1.221 1
1 667 . 9 1 1 A 57 57 ILE N N 57 132.467 127.027 5.440 1
1 668 . 9 1 1 A 58 58 ASP H H 58 9.257 8.827 0.430 1
1 669 . 9 1 1 A 58 58 ASP HA H 58 5.173 4.761 0.412 1
1 672 . 9 1 1 A 58 58 ASP C C 58 173.886 174.552 -0.666 1
1 673 . 9 1 1 A 58 58 ASP CA C 58 53.994 53.013 0.981 1
1 674 . 9 1 1 A 58 58 ASP CB C 58 43.682 40.771 2.911 1
1 675 . 9 1 1 A 58 58 ASP N N 58 127.121 128.219 -1.098 1
1 676 . 9 1 1 A 59 59 ALA H H 59 8.424 8.809 -0.385 1
1 677 . 9 1 1 A 59 59 ALA HA H 59 5.335 4.975 0.360 1
1 681 . 9 1 1 A 59 59 ALA C C 59 175.611 176.154 -0.543 1
1 682 . 9 1 1 A 59 59 ALA CA C 59 49.935 51.131 -1.196 1
1 683 . 9 1 1 A 59 59 ALA CB C 59 20.875 19.916 0.959 1
1 684 . 9 1 1 A 59 59 ALA N N 59 125.860 129.488 -3.628 1
1 685 . 9 1 1 A 60 60 PHE H H 60 8.621 9.354 -0.733 1
1 686 . 9 1 1 A 60 60 PHE HA H 60 4.986 5.340 -0.354 1
1 693 . 9 1 1 A 60 60 PHE C C 60 174.469 174.242 0.227 1
1 694 . 9 1 1 A 60 60 PHE CA C 60 55.872 56.406 -0.534 1
1 695 . 9 1 1 A 60 60 PHE CB C 60 41.187 41.987 -0.800 1
1 696 . 9 1 1 A 60 60 PHE N N 60 119.918 126.443 -6.525 1
1 697 . 9 1 1 A 61 61 VAL H H 61 8.648 8.597 0.051 1
1 698 . 9 1 1 A 61 61 VAL HA H 61 4.458 4.460 -0.002 1
1 706 . 9 1 1 A 61 61 VAL CA C 61 59.622 58.592 1.030 1
1 707 . 9 1 1 A 61 61 VAL CB C 61 32.437 32.968 -0.531 1
1 710 . 9 1 1 A 61 61 VAL N N 61 123.408 123.259 0.149 1
1 711 . 9 1 1 A 62 62 PRO HA H 62 4.395 4.730 -0.335 1
1 718 . 9 1 1 A 62 62 PRO C C 62 176.614 176.312 0.302 1
1 719 . 9 1 1 A 62 62 PRO CA C 62 63.057 62.473 0.584 1
1 720 . 9 1 1 A 62 62 PRO CB C 62 32.119 32.204 -0.085 1
1 723 . 9 1 1 A 63 63 ALA H H 63 8.410 8.348 0.062 1
1 724 . 9 1 1 A 63 63 ALA HA H 63 4.281 4.751 -0.470 1
1 728 . 9 1 1 A 63 63 ALA C C 63 177.527 176.888 0.639 1
1 729 . 9 1 1 A 63 63 ALA CA C 63 52.435 50.525 1.910 1
1 730 . 9 1 1 A 63 63 ALA CB C 63 19.000 22.376 -3.376 1
1 731 . 9 1 1 A 63 63 ALA N N 63 124.350 122.971 1.379 1
1 732 . 9 1 1 A 64 64 ASP H H 64 8.264 9.186 -0.922 1
1 733 . 9 1 1 A 64 64 ASP HA H 64 4.571 4.495 0.076 1
1 736 . 9 1 1 A 64 64 ASP C C 64 176.824 176.461 0.363 1
1 737 . 9 1 1 A 64 64 ASP CA C 64 53.994 55.096 -1.102 1
1 738 . 9 1 1 A 64 64 ASP CB C 64 41.182 40.563 0.619 1
1 739 . 9 1 1 A 64 64 ASP N N 64 118.930 118.170 0.760 1
1 740 . 9 1 1 A 65 65 GLY H H 65 8.289 8.652 -0.363 1
1 741 . 9 1 1 A 65 65 GLY HA2 H 65 3.906 4.062 -0.156 1
1 742 . 9 1 1 A 65 65 GLY HA3 H 65 3.906 4.063 -0.157 1
1 743 . 9 1 1 A 65 65 GLY C C 65 174.096 173.927 0.169 1
1 744 . 9 1 1 A 65 65 GLY CA C 65 45.249 46.180 -0.931 1
1 745 . 9 1 1 A 65 65 GLY N N 65 109.281 109.919 -0.638 1
1 746 . 9 1 1 A 66 66 ALA H H 66 8.147 7.778 0.369 1
1 747 . 9 1 1 A 66 66 ALA HA H 66 4.306 4.869 -0.563 1
1 751 . 9 1 1 A 66 66 ALA CA C 66 52.435 51.373 1.062 1
1 752 . 9 1 1 A 66 66 ALA CB C 66 19.000 22.474 -3.474 1
1 753 . 9 1 1 A 66 66 ALA N N 66 123.586 122.053 1.533 1
1 754 . 9 1 1 A 67 67 GLY H H 67 8.414 8.399 0.015 1
1 755 . 9 1 1 A 67 67 GLY HA2 H 67 3.921 4.218 -0.297 1
1 756 . 9 1 1 A 67 67 GLY HA3 H 67 3.921 4.218 -0.297 1
1 757 . 9 1 1 A 67 67 GLY C C 67 174.306 174.964 -0.658 1
1 758 . 9 1 1 A 67 67 GLY CA C 67 45.561 45.729 -0.168 1
1 759 . 9 1 1 A 67 67 GLY N N 67 108.025 105.367 2.658 1
1 760 . 9 1 1 A 68 68 LEU H H 68 7.994 8.777 -0.783 1
1 761 . 9 1 1 A 68 68 LEU HA H 68 4.265 3.991 0.274 1
1 771 . 9 1 1 A 68 68 LEU C C 68 177.430 177.570 -0.140 1
1 772 . 9 1 1 A 68 68 LEU CA C 68 54.935 57.909 -2.974 1
1 773 . 9 1 1 A 68 68 LEU CB C 68 42.124 42.322 -0.198 1
1 777 . 9 1 1 A 68 68 LEU N N 68 121.101 125.242 -4.141 1
1 16 . 10 1 1 A 2 2 LEU H H 2 9.099 8.959 0.140 1
1 17 . 10 1 1 A 2 2 LEU HA H 2 5.183 5.324 -0.141 1
1 26 . 10 1 1 A 2 2 LEU C C 2 176.031 175.913 0.118 1
1 27 . 10 1 1 A 2 2 LEU CA C 2 53.682 53.254 0.428 1
1 28 . 10 1 1 A 2 2 LEU CB C 2 43.994 44.580 -0.586 1
1 31 . 10 1 1 A 2 2 LEU N N 2 125.441 125.447 -0.006 1
1 32 . 10 1 1 A 3 3 VAL H H 3 9.070 8.997 0.073 1
1 33 . 10 1 1 A 3 3 VAL HA H 3 4.720 4.670 0.050 1
1 41 . 10 1 1 A 3 3 VAL C C 3 173.653 174.659 -1.006 1
1 42 . 10 1 1 A 3 3 VAL CA C 3 59.935 61.007 -1.072 1
1 43 . 10 1 1 A 3 3 VAL CB C 3 34.312 35.683 -1.371 1
1 46 . 10 1 1 A 3 3 VAL N N 3 123.079 120.693 2.386 1
1 47 . 10 1 1 A 4 4 ILE H H 4 8.552 9.455 -0.903 1
1 48 . 10 1 1 A 4 4 ILE HA H 4 4.530 4.717 -0.187 1
1 58 . 10 1 1 A 4 4 ILE C C 4 174.344 175.318 -0.974 1
1 59 . 10 1 1 A 4 4 ILE CA C 4 59.313 60.584 -1.271 1
1 60 . 10 1 1 A 4 4 ILE CB C 4 38.999 37.742 1.257 1
1 64 . 10 1 1 A 4 4 ILE N N 4 124.929 128.140 -3.211 1
1 65 . 10 1 1 A 5 5 VAL H H 5 8.911 8.737 0.174 1
1 66 . 10 1 1 A 5 5 VAL HA H 5 4.968 4.716 0.252 1
1 74 . 10 1 1 A 5 5 VAL C C 5 174.722 175.121 -0.399 1
1 75 . 10 1 1 A 5 5 VAL CA C 5 60.247 62.026 -1.779 1
1 76 . 10 1 1 A 5 5 VAL CB C 5 33.369 32.619 0.750 1
1 79 . 10 1 1 A 5 5 VAL N N 5 127.032 128.946 -1.914 1
1 80 . 10 1 1 A 6 6 ARG H H 6 9.417 8.834 0.583 1
1 81 . 10 1 1 A 6 6 ARG HA H 6 4.945 4.673 0.272 1
1 89 . 10 1 1 A 6 6 ARG C C 6 174.662 175.541 -0.879 1
1 90 . 10 1 1 A 6 6 ARG CA C 6 55.557 55.398 0.159 1
1 91 . 10 1 1 A 6 6 ARG CB C 6 30.557 30.760 -0.203 1
1 94 . 10 1 1 A 6 6 ARG N N 6 127.895 127.813 0.082 1
1 96 . 10 1 1 A 7 7 LEU H H 7 8.368 8.910 -0.542 1
1 97 . 10 1 1 A 7 7 LEU HA H 7 4.761 4.325 0.436 1
1 107 . 10 1 1 A 7 7 LEU C C 7 175.869 177.776 -1.907 1
1 108 . 10 1 1 A 7 7 LEU CA C 7 53.682 54.206 -0.524 1
1 109 . 10 1 1 A 7 7 LEU CB C 7 43.994 42.753 1.241 1
1 112 . 10 1 1 A 7 7 LEU N N 7 127.357 126.823 0.534 1
1 113 . 10 1 1 A 8 8 GLN H H 8 9.244 8.724 0.520 1
1 114 . 10 1 1 A 8 8 GLN HA H 8 3.825 3.953 -0.128 1
1 119 . 10 1 1 A 8 8 GLN C C 8 175.478 176.431 -0.953 1
1 120 . 10 1 1 A 8 8 GLN CA C 8 58.372 59.361 -0.989 1
1 121 . 10 1 1 A 8 8 GLN CB C 8 27.125 28.720 -1.595 1
1 123 . 10 1 1 A 8 8 GLN N N 8 123.025 124.222 -1.197 1
1 124 . 10 1 1 A 9 9 ASP H H 9 8.622 8.002 0.620 1
1 125 . 10 1 1 A 9 9 ASP HA H 9 4.609 4.811 -0.202 1
1 128 . 10 1 1 A 9 9 ASP C C 9 175.352 174.289 1.063 1
1 129 . 10 1 1 A 9 9 ASP CA C 9 54.619 52.923 1.696 1
1 130 . 10 1 1 A 9 9 ASP CB C 9 40.576 41.763 -1.187 1
1 131 . 10 1 1 A 9 9 ASP N N 9 117.207 118.499 -1.292 1
1 132 . 10 1 1 A 10 10 GLN H H 10 7.972 7.459 0.513 1
1 133 . 10 1 1 A 10 10 GLN HA H 10 4.644 4.764 -0.120 1
1 138 . 10 1 1 A 10 10 GLN C C 10 174.812 174.384 0.428 1
1 139 . 10 1 1 A 10 10 GLN CA C 10 54.932 54.668 0.264 1
1 140 . 10 1 1 A 10 10 GLN CB C 10 31.807 31.722 0.085 1
1 142 . 10 1 1 A 10 10 GLN N N 10 118.451 119.818 -1.367 1
1 143 . 10 1 1 A 11 11 THR H H 11 8.593 8.976 -0.383 1
1 144 . 10 1 1 A 11 11 THR HA H 11 4.874 5.103 -0.229 1
1 149 . 10 1 1 A 11 11 THR C C 11 173.521 173.759 -0.238 1
1 150 . 10 1 1 A 11 11 THR CA C 11 61.810 62.207 -0.397 1
1 151 . 10 1 1 A 11 11 THR CB C 11 69.934 70.527 -0.593 1
1 153 . 10 1 1 A 11 11 THR N N 11 118.464 119.939 -1.475 1
1 154 . 10 1 1 A 12 12 LEU H H 12 9.554 8.375 1.179 1
1 155 . 10 1 1 A 12 12 LEU HA H 12 4.872 4.656 0.216 1
1 164 . 10 1 1 A 12 12 LEU CA C 12 51.494 51.021 0.473 1
1 165 . 10 1 1 A 12 12 LEU CB C 12 44.932 45.617 -0.685 1
1 168 . 10 1 1 A 12 12 LEU N N 12 128.567 125.628 2.939 1
1 169 . 10 1 1 A 13 13 PRO HA H 13 5.141 4.903 0.238 1
1 176 . 10 1 1 A 13 13 PRO C C 13 176.800 175.246 1.554 1
1 177 . 10 1 1 A 13 13 PRO CA C 13 60.869 62.363 -1.494 1
1 178 . 10 1 1 A 13 13 PRO CB C 13 32.119 33.308 -1.189 1
1 181 . 10 1 1 A 14 14 PHE H H 14 9.302 8.635 0.667 1
1 182 . 10 1 1 A 14 14 PHE HA H 14 4.622 4.911 -0.289 1
1 189 . 10 1 1 A 14 14 PHE C C 14 173.677 174.343 -0.666 1
1 190 . 10 1 1 A 14 14 PHE CA C 14 57.747 56.160 1.587 1
1 191 . 10 1 1 A 14 14 PHE CB C 14 42.749 43.184 -0.435 1
1 192 . 10 1 1 A 14 14 PHE N N 14 121.778 119.286 2.492 1
1 193 . 10 1 1 A 15 15 GLU H H 15 8.516 8.998 -0.482 1
1 194 . 10 1 1 A 15 15 GLU HA H 15 5.260 4.745 0.515 1
1 199 . 10 1 1 A 15 15 GLU C C 15 175.821 175.520 0.301 1
1 200 . 10 1 1 A 15 15 GLU CA C 15 54.932 56.109 -1.177 1
1 201 . 10 1 1 A 15 15 GLU CB C 15 30.244 31.207 -0.963 1
1 203 . 10 1 1 A 15 15 GLU N N 15 123.002 123.583 -0.581 1
1 204 . 10 1 1 A 16 16 LEU H H 16 8.937 8.639 0.298 1
1 205 . 10 1 1 A 16 16 LEU HA H 16 4.952 4.821 0.131 1
1 215 . 10 1 1 A 16 16 LEU CA C 16 51.494 51.651 -0.157 1
1 216 . 10 1 1 A 16 16 LEU CB C 16 44.941 44.348 0.593 1
1 220 . 10 1 1 A 16 16 LEU N N 16 126.803 129.241 -2.438 1
1 221 . 10 1 1 A 17 17 PRO HA H 17 4.547 4.612 -0.065 1
1 228 . 10 1 1 A 17 17 PRO C C 17 175.472 176.335 -0.863 1
1 229 . 10 1 1 A 17 17 PRO CA C 17 62.119 62.329 -0.210 1
1 230 . 10 1 1 A 17 17 PRO CB C 17 32.119 32.635 -0.516 1
1 233 . 10 1 1 A 18 18 ALA H H 18 7.892 8.244 -0.352 1
1 234 . 10 1 1 A 18 18 ALA HA H 18 4.065 3.956 0.109 1
1 238 . 10 1 1 A 18 18 ALA C C 18 178.735 178.656 0.079 1
1 239 . 10 1 1 A 18 18 ALA CA C 18 53.060 53.752 -0.692 1
1 240 . 10 1 1 A 18 18 ALA CB C 18 18.063 18.544 -0.481 1
1 241 . 10 1 1 A 18 18 ALA N N 18 121.997 124.987 -2.990 1
1 242 . 10 1 1 A 19 19 GLY H H 19 8.519 8.792 -0.273 1
1 243 . 10 1 1 A 19 19 GLY HA2 H 19 3.754 3.870 -0.116 1
1 244 . 10 1 1 A 19 19 GLY HA3 H 19 4.066 3.872 0.194 1
1 245 . 10 1 1 A 19 19 GLY C C 19 174.376 174.671 -0.295 1
1 246 . 10 1 1 A 19 19 GLY CA C 19 44.625 46.097 -1.472 1
1 247 . 10 1 1 A 19 19 GLY N N 19 110.335 110.688 -0.353 1
1 248 . 10 1 1 A 20 20 ALA H H 20 7.459 7.770 -0.311 1
1 249 . 10 1 1 A 20 20 ALA HA H 20 4.210 4.290 -0.080 1
1 253 . 10 1 1 A 20 20 ALA C C 20 176.171 177.111 -0.940 1
1 254 . 10 1 1 A 20 20 ALA CA C 20 52.751 52.513 0.238 1
1 255 . 10 1 1 A 20 20 ALA CB C 20 20.563 19.880 0.683 1
1 256 . 10 1 1 A 20 20 ALA N N 20 121.746 123.500 -1.754 1
1 257 . 10 1 1 A 21 21 ARG H H 21 8.148 8.759 -0.611 1
1 258 . 10 1 1 A 21 21 ARG HA H 21 5.132 4.797 0.335 1
1 265 . 10 1 1 A 21 21 ARG C C 21 178.292 176.390 1.902 1
1 266 . 10 1 1 A 21 21 ARG CA C 21 53.369 54.027 -0.658 1
1 267 . 10 1 1 A 21 21 ARG CB C 21 32.921 33.091 -0.170 1
1 270 . 10 1 1 A 21 21 ARG N N 21 118.121 117.311 0.810 1
1 271 . 10 1 1 A 22 22 ALA H H 22 8.867 9.131 -0.264 1
1 272 . 10 1 1 A 22 22 ALA HA H 22 3.799 3.987 -0.188 1
1 276 . 10 1 1 A 22 22 ALA C C 22 178.735 179.517 -0.782 1
1 277 . 10 1 1 A 22 22 ALA CA C 22 55.872 55.019 0.853 1
1 278 . 10 1 1 A 22 22 ALA CB C 22 18.375 18.347 0.028 1
1 279 . 10 1 1 A 22 22 ALA N N 22 123.186 122.520 0.666 1
1 280 . 10 1 1 A 23 23 SER H H 23 8.383 8.077 0.306 1
1 281 . 10 1 1 A 23 23 SER HA H 23 4.205 4.163 0.042 1
1 284 . 10 1 1 A 23 23 SER C C 23 176.754 177.446 -0.692 1
1 285 . 10 1 1 A 23 23 SER CA C 23 60.557 61.260 -0.703 1
1 286 . 10 1 1 A 23 23 SER CB C 23 61.807 63.135 -1.328 1
1 287 . 10 1 1 A 23 23 SER N N 23 111.612 113.890 -2.278 1
1 288 . 10 1 1 A 24 24 GLN H H 24 7.744 8.055 -0.311 1
1 289 . 10 1 1 A 24 24 GLN HA H 24 4.173 3.974 0.199 1
1 294 . 10 1 1 A 24 24 GLN C C 24 178.689 178.084 0.605 1
1 295 . 10 1 1 A 24 24 GLN CA C 24 58.682 59.077 -0.395 1
1 296 . 10 1 1 A 24 24 GLN CB C 24 28.682 28.075 0.607 1
1 298 . 10 1 1 A 24 24 GLN N N 24 121.537 120.608 0.929 1
1 299 . 10 1 1 A 25 25 LEU H H 25 7.199 7.761 -0.562 1
1 300 . 10 1 1 A 25 25 LEU HA H 25 3.970 3.997 -0.027 1
1 310 . 10 1 1 A 25 25 LEU C C 25 177.966 178.753 -0.787 1
1 311 . 10 1 1 A 25 25 LEU CA C 25 56.810 58.040 -1.230 1
1 312 . 10 1 1 A 25 25 LEU CB C 25 41.494 41.371 0.123 1
1 316 . 10 1 1 A 25 25 LEU N N 25 119.709 122.008 -2.299 1
1 317 . 10 1 1 A 26 26 SER H H 26 8.650 8.157 0.493 1
1 318 . 10 1 1 A 26 26 SER HA H 26 3.970 3.928 0.042 1
1 321 . 10 1 1 A 26 26 SER C C 26 176.917 176.247 0.670 1
1 322 . 10 1 1 A 26 26 SER CA C 26 62.744 61.875 0.869 1
1 323 . 10 1 1 A 26 26 SER CB C 26 62.119 62.692 -0.573 1
1 324 . 10 1 1 A 26 26 SER N N 26 114.988 116.452 -1.464 1
1 325 . 10 1 1 A 27 27 ASN H H 27 7.876 8.066 -0.190 1
1 326 . 10 1 1 A 27 27 ASN HA H 27 4.517 4.405 0.112 1
1 329 . 10 1 1 A 27 27 ASN C C 27 177.197 177.861 -0.664 1
1 330 . 10 1 1 A 27 27 ASN CA C 27 55.869 56.218 -0.349 1
1 331 . 10 1 1 A 27 27 ASN CB C 27 38.369 38.860 -0.491 1
1 332 . 10 1 1 A 27 27 ASN N N 27 118.197 119.843 -1.646 1
1 333 . 10 1 1 A 28 28 LEU H H 28 7.433 8.119 -0.686 1
1 334 . 10 1 1 A 28 28 LEU HA H 28 4.219 3.882 0.337 1
1 344 . 10 1 1 A 28 28 LEU C C 28 179.411 178.928 0.483 1
1 345 . 10 1 1 A 28 28 LEU CA C 28 57.122 58.084 -0.962 1
1 346 . 10 1 1 A 28 28 LEU CB C 28 41.984 41.975 0.009 1
1 350 . 10 1 1 A 28 28 LEU N N 28 120.223 119.995 0.228 1
1 351 . 10 1 1 A 29 29 LEU H H 29 7.866 8.170 -0.304 1
1 352 . 10 1 1 A 29 29 LEU HA H 29 4.091 3.684 0.407 1
1 362 . 10 1 1 A 29 29 LEU C C 29 178.386 178.843 -0.457 1
1 363 . 10 1 1 A 29 29 LEU CA C 29 56.497 57.648 -1.151 1
1 364 . 10 1 1 A 29 29 LEU CB C 29 42.124 41.161 0.963 1
1 368 . 10 1 1 A 29 29 LEU N N 29 119.017 117.421 1.596 1
1 369 . 10 1 1 A 30 30 SER H H 30 8.117 8.028 0.089 1
1 370 . 10 1 1 A 30 30 SER HA H 30 4.615 3.996 0.619 1
1 373 . 10 1 1 A 30 30 SER C C 30 175.145 176.974 -1.829 1
1 374 . 10 1 1 A 30 30 SER CA C 30 59.932 61.368 -1.436 1
1 375 . 10 1 1 A 30 30 SER CB C 30 63.057 62.866 0.191 1
1 376 . 10 1 1 A 30 30 SER N N 30 114.044 114.706 -0.662 1
1 377 . 10 1 1 A 31 31 SER H H 31 8.084 8.012 0.072 1
1 378 . 10 1 1 A 31 31 SER HA H 31 4.535 4.046 0.489 1
1 381 . 10 1 1 A 31 31 SER CA C 31 58.994 61.415 -2.421 1
1 382 . 10 1 1 A 31 31 SER CB C 31 63.682 62.850 0.832 1
1 383 . 10 1 1 A 31 31 SER N N 31 115.938 115.102 0.836 1
1 384 . 10 1 1 A 32 32 SER HA H 32 4.547 4.419 0.128 1
1 387 . 10 1 1 A 32 32 SER CA C 32 58.682 58.571 0.111 1
1 388 . 10 1 1 A 32 32 SER CB C 32 63.369 64.608 -1.239 1
1 389 . 10 1 1 A 33 33 GLY H H 33 8.080 8.568 -0.488 1
1 390 . 10 1 1 A 33 33 GLY HA2 H 33 3.786 3.806 -0.020 1
1 391 . 10 1 1 A 33 33 GLY HA3 H 33 4.160 3.820 0.340 1
1 392 . 10 1 1 A 33 33 GLY C C 33 173.746 174.574 -0.828 1
1 393 . 10 1 1 A 33 33 GLY CA C 33 45.561 47.447 -1.886 1
1 394 . 10 1 1 A 33 33 GLY N N 33 109.530 111.679 -2.149 1
1 395 . 10 1 1 A 34 34 MET H H 34 7.781 7.785 -0.004 1
1 396 . 10 1 1 A 34 34 MET HA H 34 4.371 4.933 -0.562 1
1 401 . 10 1 1 A 34 34 MET C C 34 174.073 175.265 -1.192 1
1 402 . 10 1 1 A 34 34 MET CA C 34 54.619 54.921 -0.302 1
1 403 . 10 1 1 A 34 34 MET CB C 34 33.994 34.446 -0.452 1
1 405 . 10 1 1 A 34 34 MET N N 34 119.527 119.030 0.497 1
1 406 . 10 1 1 A 35 35 ALA H H 35 7.956 8.363 -0.407 1
1 407 . 10 1 1 A 35 35 ALA HA H 35 4.374 4.642 -0.268 1
1 411 . 10 1 1 A 35 35 ALA C C 35 175.915 175.461 0.454 1
1 412 . 10 1 1 A 35 35 ALA CA C 35 51.185 51.300 -0.115 1
1 413 . 10 1 1 A 35 35 ALA CB C 35 19.000 20.872 -1.872 1
1 414 . 10 1 1 A 35 35 ALA N N 35 125.314 121.773 3.541 1
1 415 . 10 1 1 A 36 36 PHE H H 36 7.838 7.867 -0.029 1
1 416 . 10 1 1 A 36 36 PHE HA H 36 4.858 5.298 -0.440 1
1 424 . 10 1 1 A 36 36 PHE C C 36 175.868 172.896 2.972 1
1 425 . 10 1 1 A 36 36 PHE CA C 36 57.122 54.932 2.190 1
1 426 . 10 1 1 A 36 36 PHE CB C 36 41.812 41.573 0.239 1
1 427 . 10 1 1 A 36 36 PHE N N 36 117.347 119.256 -1.909 1
1 428 . 10 1 1 A 37 37 SER H H 37 8.943 8.472 0.471 1
1 429 . 10 1 1 A 37 37 SER HA H 37 4.623 4.777 -0.154 1
1 432 . 10 1 1 A 37 37 SER C C 37 173.490 173.915 -0.425 1
1 433 . 10 1 1 A 37 37 SER CA C 37 57.432 58.142 -0.710 1
1 434 . 10 1 1 A 37 37 SER CB C 37 63.994 64.090 -0.096 1
1 435 . 10 1 1 A 37 37 SER N N 37 117.034 115.566 1.468 1
1 436 . 10 1 1 A 38 38 LEU H H 38 8.787 8.901 -0.114 1
1 437 . 10 1 1 A 38 38 LEU HA H 38 5.072 4.797 0.275 1
1 447 . 10 1 1 A 38 38 LEU C C 38 175.467 175.825 -0.358 1
1 448 . 10 1 1 A 38 38 LEU CA C 38 53.994 53.845 0.149 1
1 449 . 10 1 1 A 38 38 LEU CB C 38 43.057 42.536 0.521 1
1 453 . 10 1 1 A 38 38 LEU N N 38 124.534 128.578 -4.044 1
1 454 . 10 1 1 A 39 39 HIS H H 39 9.132 8.637 0.495 1
1 455 . 10 1 1 A 39 39 HIS HA H 39 5.434 5.611 -0.177 1
1 458 . 10 1 1 A 39 39 HIS C C 39 174.656 172.698 1.958 1
1 459 . 10 1 1 A 39 39 HIS CA C 39 53.994 53.721 0.273 1
1 460 . 10 1 1 A 39 39 HIS CB C 39 35.869 32.788 3.081 1
1 461 . 10 1 1 A 39 39 HIS N N 39 121.803 120.492 1.311 1
1 462 . 10 1 1 A 40 40 THR H H 40 9.101 8.683 0.418 1
1 463 . 10 1 1 A 40 40 THR HA H 40 4.947 4.893 0.054 1
1 468 . 10 1 1 A 40 40 THR C C 40 173.373 173.876 -0.503 1
1 469 . 10 1 1 A 40 40 THR CA C 40 60.872 60.021 0.851 1
1 470 . 10 1 1 A 40 40 THR CB C 40 69.934 71.584 -1.650 1
1 472 . 10 1 1 A 40 40 THR N N 40 114.826 111.447 3.379 1
1 473 . 10 1 1 A 41 41 GLN H H 41 9.462 9.751 -0.289 1
1 474 . 10 1 1 A 41 41 GLN HA H 41 3.967 4.024 -0.057 1
1 479 . 10 1 1 A 41 41 GLN C C 41 176.031 175.726 0.305 1
1 480 . 10 1 1 A 41 41 GLN CA C 41 56.809 57.011 -0.202 1
1 481 . 10 1 1 A 41 41 GLN CB C 41 27.119 27.316 -0.197 1
1 483 . 10 1 1 A 41 41 GLN N N 41 125.458 122.649 2.809 1
1 484 . 10 1 1 A 42 42 GLY H H 42 9.114 8.902 0.212 1
1 485 . 10 1 1 A 42 42 GLY HA2 H 42 3.681 3.473 0.208 1
1 486 . 10 1 1 A 42 42 GLY HA3 H 42 4.177 3.767 0.410 1
1 487 . 10 1 1 A 42 42 GLY C C 42 173.977 173.726 0.251 1
1 488 . 10 1 1 A 42 42 GLY CA C 42 45.557 45.742 -0.185 1
1 489 . 10 1 1 A 42 42 GLY N N 42 105.029 104.422 0.607 1
1 490 . 10 1 1 A 43 43 ARG H H 43 8.140 7.925 0.215 1
1 491 . 10 1 1 A 43 43 ARG HA H 43 4.725 4.677 0.048 1
1 498 . 10 1 1 A 43 43 ARG CA C 43 53.994 54.392 -0.398 1
1 499 . 10 1 1 A 43 43 ARG CB C 43 32.744 32.837 -0.093 1
1 502 . 10 1 1 A 43 43 ARG N N 43 121.025 119.711 1.314 1
1 503 . 10 1 1 A 44 44 VAL HA H 44 3.819 4.124 -0.305 1
1 511 . 10 1 1 A 44 44 VAL C C 44 176.124 175.723 0.401 1
1 512 . 10 1 1 A 44 44 VAL CA C 44 62.747 63.300 -0.553 1
1 513 . 10 1 1 A 44 44 VAL CB C 44 32.125 32.088 0.037 1
1 516 . 10 1 1 A 45 45 LEU H H 45 8.513 8.735 -0.222 1
1 517 . 10 1 1 A 45 45 LEU HA H 45 4.388 4.889 -0.501 1
1 527 . 10 1 1 A 45 45 LEU C C 45 177.197 177.546 -0.349 1
1 528 . 10 1 1 A 45 45 LEU CA C 45 53.682 53.433 0.249 1
1 529 . 10 1 1 A 45 45 LEU CB C 45 42.437 43.587 -1.150 1
1 533 . 10 1 1 A 45 45 LEU N N 45 129.261 128.937 0.324 1
1 534 . 10 1 1 A 46 46 SER H H 46 8.238 8.725 -0.487 1
1 535 . 10 1 1 A 46 46 SER HA H 46 4.441 4.813 -0.372 1
1 538 . 10 1 1 A 46 46 SER C C 46 175.052 175.954 -0.902 1
1 539 . 10 1 1 A 46 46 SER CA C 46 57.744 57.269 0.475 1
1 540 . 10 1 1 A 46 46 SER CB C 46 63.682 64.977 -1.295 1
1 541 . 10 1 1 A 46 46 SER N N 46 116.459 118.405 -1.946 1
1 542 . 10 1 1 A 47 47 GLU H H 47 8.743 9.040 -0.297 1
1 543 . 10 1 1 A 47 47 GLU HA H 47 4.009 4.063 -0.054 1
1 548 . 10 1 1 A 47 47 GLU C C 47 176.054 177.308 -1.254 1
1 549 . 10 1 1 A 47 47 GLU CA C 47 59.307 59.186 0.121 1
1 550 . 10 1 1 A 47 47 GLU CB C 47 29.619 29.338 0.281 1
1 552 . 10 1 1 A 47 47 GLU N N 47 121.669 121.737 -0.068 1
1 553 . 10 1 1 A 48 48 ALA H H 48 7.738 7.451 0.287 1
1 554 . 10 1 1 A 48 48 ALA HA H 48 4.477 4.474 0.003 1
1 558 . 10 1 1 A 48 48 ALA C C 48 177.267 177.543 -0.276 1
1 559 . 10 1 1 A 48 48 ALA CA C 48 50.873 51.543 -0.670 1
1 560 . 10 1 1 A 48 48 ALA CB C 48 19.000 19.702 -0.702 1
1 561 . 10 1 1 A 48 48 ALA N N 48 117.799 120.821 -3.022 1
1 562 . 10 1 1 A 49 49 ALA H H 49 7.597 7.719 -0.122 1
1 563 . 10 1 1 A 49 49 ALA HA H 49 4.086 4.171 -0.085 1
1 567 . 10 1 1 A 49 49 ALA C C 49 177.104 176.845 0.259 1
1 568 . 10 1 1 A 49 49 ALA CA C 49 52.748 53.227 -0.479 1
1 569 . 10 1 1 A 49 49 ALA CB C 49 19.938 19.144 0.794 1
1 570 . 10 1 1 A 49 49 ALA N N 49 122.785 121.971 0.814 1
1 571 . 10 1 1 A 50 50 GLU H H 50 8.511 8.682 -0.171 1
1 572 . 10 1 1 A 50 50 GLU HA H 50 4.140 4.993 -0.853 1
1 577 . 10 1 1 A 50 50 GLU C C 50 176.054 175.294 0.760 1
1 578 . 10 1 1 A 50 50 GLU CA C 50 56.807 54.865 1.942 1
1 579 . 10 1 1 A 50 50 GLU CB C 50 30.557 32.512 -1.955 1
1 581 . 10 1 1 A 50 50 GLU N N 50 121.303 124.161 -2.858 1
1 582 . 10 1 1 A 51 51 LEU H H 51 8.047 8.942 -0.895 1
1 583 . 10 1 1 A 51 51 LEU HA H 51 4.501 4.269 0.232 1
1 593 . 10 1 1 A 51 51 LEU C C 51 174.656 176.511 -1.855 1
1 594 . 10 1 1 A 51 51 LEU CA C 51 53.379 56.267 -2.888 1
1 595 . 10 1 1 A 51 51 LEU CB C 51 42.121 42.229 -0.108 1
1 599 . 10 1 1 A 51 51 LEU N N 51 122.325 129.232 -6.907 1
1 600 . 10 1 1 A 52 52 ASN H H 52 7.424 7.614 -0.190 1
1 601 . 10 1 1 A 52 52 ASN HA H 52 5.067 4.945 0.122 1
1 606 . 10 1 1 A 52 52 ASN C C 52 173.094 173.618 -0.524 1
1 607 . 10 1 1 A 52 52 ASN CA C 52 52.119 52.211 -0.092 1
1 608 . 10 1 1 A 52 52 ASN CB C 52 42.744 41.386 1.358 1
1 609 . 10 1 1 A 52 52 ASN N N 52 115.275 112.650 2.625 1
1 611 . 10 1 1 A 53 53 ASP H H 53 8.495 8.628 -0.133 1
1 612 . 10 1 1 A 53 53 ASP HA H 53 4.376 4.525 -0.149 1
1 615 . 10 1 1 A 53 53 ASP C C 53 176.544 176.061 0.483 1
1 616 . 10 1 1 A 53 53 ASP CA C 53 55.869 54.844 1.025 1
1 617 . 10 1 1 A 53 53 ASP CB C 53 41.807 40.595 1.212 1
1 618 . 10 1 1 A 53 53 ASP N N 53 118.480 121.010 -2.530 1
1 619 . 10 1 1 A 54 54 LYS H H 54 9.479 9.012 0.467 1
1 620 . 10 1 1 A 54 54 LYS HA H 54 3.713 3.786 -0.073 1
1 621 . 10 1 1 A 54 54 LYS C C 54 175.495 175.862 -0.367 1
1 622 . 10 1 1 A 54 54 LYS CA C 54 57.750 56.928 0.822 1
1 623 . 10 1 1 A 54 54 LYS N N 54 119.414 116.507 2.907 1
1 624 . 10 1 1 A 55 55 MET H H 55 7.665 8.003 -0.338 1
1 625 . 10 1 1 A 55 55 MET HA H 55 4.198 4.462 -0.264 1
1 630 . 10 1 1 A 55 55 MET C C 55 173.746 174.996 -1.250 1
1 631 . 10 1 1 A 55 55 MET CA C 55 57.119 56.190 0.929 1
1 632 . 10 1 1 A 55 55 MET CB C 55 34.932 33.473 1.459 1
1 634 . 10 1 1 A 55 55 MET N N 55 119.804 117.530 2.274 1
1 635 . 10 1 1 A 56 56 VAL H H 56 8.282 8.559 -0.277 1
1 636 . 10 1 1 A 56 56 VAL HA H 56 4.831 4.606 0.225 1
1 644 . 10 1 1 A 56 56 VAL C C 56 176.264 174.379 1.885 1
1 645 . 10 1 1 A 56 56 VAL CA C 56 61.497 61.732 -0.235 1
1 646 . 10 1 1 A 56 56 VAL CB C 56 32.437 33.830 -1.393 1
1 649 . 10 1 1 A 56 56 VAL N N 56 122.814 121.052 1.762 1
1 650 . 10 1 1 A 57 57 ILE H H 57 9.651 9.122 0.529 1
1 651 . 10 1 1 A 57 57 ILE HA H 57 4.644 5.038 -0.394 1
1 661 . 10 1 1 A 57 57 ILE C C 57 173.770 174.418 -0.648 1
1 662 . 10 1 1 A 57 57 ILE CA C 57 59.307 59.794 -0.487 1
1 663 . 10 1 1 A 57 57 ILE CB C 57 41.494 40.999 0.495 1
1 667 . 10 1 1 A 57 57 ILE N N 57 132.467 128.085 4.382 1
1 668 . 10 1 1 A 58 58 ASP H H 58 9.257 8.997 0.260 1
1 669 . 10 1 1 A 58 58 ASP HA H 58 5.173 5.191 -0.018 1
1 672 . 10 1 1 A 58 58 ASP C C 58 173.886 174.852 -0.966 1
1 673 . 10 1 1 A 58 58 ASP CA C 58 53.994 52.869 1.125 1
1 674 . 10 1 1 A 58 58 ASP CB C 58 43.682 42.435 1.247 1
1 675 . 10 1 1 A 58 58 ASP N N 58 127.121 124.618 2.503 1
1 676 . 10 1 1 A 59 59 ALA H H 59 8.424 9.076 -0.652 1
1 677 . 10 1 1 A 59 59 ALA HA H 59 5.335 5.057 0.278 1
1 681 . 10 1 1 A 59 59 ALA C C 59 175.611 175.769 -0.158 1
1 682 . 10 1 1 A 59 59 ALA CA C 59 49.935 50.671 -0.736 1
1 683 . 10 1 1 A 59 59 ALA CB C 59 20.875 20.048 0.827 1
1 684 . 10 1 1 A 59 59 ALA N N 59 125.860 127.857 -1.997 1
1 685 . 10 1 1 A 60 60 PHE H H 60 8.621 9.216 -0.595 1
1 686 . 10 1 1 A 60 60 PHE HA H 60 4.986 5.153 -0.167 1
1 693 . 10 1 1 A 60 60 PHE C C 60 174.469 174.458 0.011 1
1 694 . 10 1 1 A 60 60 PHE CA C 60 55.872 56.498 -0.626 1
1 695 . 10 1 1 A 60 60 PHE CB C 60 41.187 41.153 0.034 1
1 696 . 10 1 1 A 60 60 PHE N N 60 119.918 126.072 -6.154 1
1 697 . 10 1 1 A 61 61 VAL H H 61 8.648 8.547 0.101 1
1 698 . 10 1 1 A 61 61 VAL HA H 61 4.458 4.423 0.035 1
1 706 . 10 1 1 A 61 61 VAL CA C 61 59.622 58.581 1.041 1
1 707 . 10 1 1 A 61 61 VAL CB C 61 32.437 32.999 -0.562 1
1 710 . 10 1 1 A 61 61 VAL N N 61 123.408 123.167 0.241 1
1 711 . 10 1 1 A 62 62 PRO HA H 62 4.395 4.664 -0.269 1
1 718 . 10 1 1 A 62 62 PRO C C 62 176.614 176.197 0.417 1
1 719 . 10 1 1 A 62 62 PRO CA C 62 63.057 62.318 0.739 1
1 720 . 10 1 1 A 62 62 PRO CB C 62 32.119 32.545 -0.426 1
1 723 . 10 1 1 A 63 63 ALA H H 63 8.410 8.416 -0.006 1
1 724 . 10 1 1 A 63 63 ALA HA H 63 4.281 4.912 -0.631 1
1 728 . 10 1 1 A 63 63 ALA C C 63 177.527 176.721 0.806 1
1 729 . 10 1 1 A 63 63 ALA CA C 63 52.435 50.678 1.757 1
1 730 . 10 1 1 A 63 63 ALA CB C 63 19.000 22.276 -3.276 1
1 731 . 10 1 1 A 63 63 ALA N N 63 124.350 123.963 0.387 1
1 732 . 10 1 1 A 64 64 ASP H H 64 8.264 8.687 -0.423 1
1 733 . 10 1 1 A 64 64 ASP HA H 64 4.571 4.462 0.109 1
1 736 . 10 1 1 A 64 64 ASP C C 64 176.824 176.608 0.216 1
1 737 . 10 1 1 A 64 64 ASP CA C 64 53.994 55.988 -1.994 1
1 738 . 10 1 1 A 64 64 ASP CB C 64 41.182 40.692 0.490 1
1 739 . 10 1 1 A 64 64 ASP N N 64 118.930 120.050 -1.120 1
1 740 . 10 1 1 A 65 65 GLY H H 65 8.289 8.505 -0.216 1
1 741 . 10 1 1 A 65 65 GLY HA2 H 65 3.906 4.181 -0.275 1
1 742 . 10 1 1 A 65 65 GLY HA3 H 65 3.906 4.188 -0.282 1
1 743 . 10 1 1 A 65 65 GLY C C 65 174.096 173.389 0.707 1
1 744 . 10 1 1 A 65 65 GLY CA C 65 45.249 45.651 -0.402 1
1 745 . 10 1 1 A 65 65 GLY N N 65 109.281 110.195 -0.914 1
1 746 . 10 1 1 A 66 66 ALA H H 66 8.147 9.075 -0.928 1
1 747 . 10 1 1 A 66 66 ALA HA H 66 4.306 3.920 0.386 1
1 751 . 10 1 1 A 66 66 ALA CA C 66 52.435 53.090 -0.655 1
1 752 . 10 1 1 A 66 66 ALA CB C 66 19.000 17.780 1.220 1
1 753 . 10 1 1 A 66 66 ALA N N 66 123.586 125.876 -2.290 1
1 754 . 10 1 1 A 67 67 GLY H H 67 8.414 8.326 0.088 1
1 755 . 10 1 1 A 67 67 GLY HA2 H 67 3.921 4.081 -0.160 1
1 756 . 10 1 1 A 67 67 GLY HA3 H 67 3.921 4.082 -0.161 1
1 757 . 10 1 1 A 67 67 GLY C C 67 174.306 175.662 -1.356 1
1 758 . 10 1 1 A 67 67 GLY CA C 67 45.561 45.342 0.219 1
1 759 . 10 1 1 A 67 67 GLY N N 67 108.025 108.383 -0.358 1
1 760 . 10 1 1 A 68 68 LEU H H 68 7.994 8.051 -0.057 1
1 761 . 10 1 1 A 68 68 LEU HA H 68 4.265 3.924 0.341 1
1 771 . 10 1 1 A 68 68 LEU C C 68 177.430 178.305 -0.875 1
1 772 . 10 1 1 A 68 68 LEU CA C 68 54.935 58.137 -3.202 1
1 773 . 10 1 1 A 68 68 LEU CB C 68 42.124 42.063 0.061 1
1 777 . 10 1 1 A 68 68 LEU N N 68 121.101 120.222 0.879 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 60 0.959 1
2 1 1 1 "RMS(OBS, PRED)" CA 67 1.263 1
3 1 1 1 "RMS(OBS, PRED)" CB 61 1.218 1
4 1 1 1 "RMS(OBS, PRED)" H 62 0.456 1
5 1 1 1 "RMS(OBS, PRED)" HA 72 0.295 1
6 1 1 1 "RMS(OBS, PRED)" N 62 2.589 1
7 1 2 1 "RMS(OBS, PRED)" C 60 0.971 1
8 1 2 1 "RMS(OBS, PRED)" CA 67 1.148 1
9 1 2 1 "RMS(OBS, PRED)" CB 61 0.907 1
10 1 2 1 "RMS(OBS, PRED)" H 62 0.461 1
11 1 2 1 "RMS(OBS, PRED)" HA 72 0.282 1
12 1 2 1 "RMS(OBS, PRED)" N 62 2.497 1
13 1 3 1 "RMS(OBS, PRED)" C 60 0.928 1
14 1 3 1 "RMS(OBS, PRED)" CA 67 1.150 1
15 1 3 1 "RMS(OBS, PRED)" CB 61 1.230 1
16 1 3 1 "RMS(OBS, PRED)" H 62 0.483 1
17 1 3 1 "RMS(OBS, PRED)" HA 72 0.303 1
18 1 3 1 "RMS(OBS, PRED)" N 62 2.273 1
19 1 4 1 "RMS(OBS, PRED)" C 60 0.947 1
20 1 4 1 "RMS(OBS, PRED)" CA 67 1.122 1
21 1 4 1 "RMS(OBS, PRED)" CB 61 1.159 1
22 1 4 1 "RMS(OBS, PRED)" H 62 0.451 1
23 1 4 1 "RMS(OBS, PRED)" HA 72 0.270 1
24 1 4 1 "RMS(OBS, PRED)" N 62 2.472 1
25 1 5 1 "RMS(OBS, PRED)" C 60 0.947 1
26 1 5 1 "RMS(OBS, PRED)" CA 67 1.111 1
27 1 5 1 "RMS(OBS, PRED)" CB 61 1.245 1
28 1 5 1 "RMS(OBS, PRED)" H 62 0.469 1
29 1 5 1 "RMS(OBS, PRED)" HA 72 0.291 1
30 1 5 1 "RMS(OBS, PRED)" N 62 2.357 1
31 1 6 1 "RMS(OBS, PRED)" C 60 0.883 1
32 1 6 1 "RMS(OBS, PRED)" CA 67 1.185 1
33 1 6 1 "RMS(OBS, PRED)" CB 61 1.157 1
34 1 6 1 "RMS(OBS, PRED)" H 62 0.469 1
35 1 6 1 "RMS(OBS, PRED)" HA 72 0.279 1
36 1 6 1 "RMS(OBS, PRED)" N 62 2.746 1
37 1 7 1 "RMS(OBS, PRED)" C 60 0.929 1
38 1 7 1 "RMS(OBS, PRED)" CA 67 1.186 1
39 1 7 1 "RMS(OBS, PRED)" CB 61 1.071 1
40 1 7 1 "RMS(OBS, PRED)" H 62 0.437 1
41 1 7 1 "RMS(OBS, PRED)" HA 72 0.279 1
42 1 7 1 "RMS(OBS, PRED)" N 62 2.555 1
43 1 8 1 "RMS(OBS, PRED)" C 60 0.950 1
44 1 8 1 "RMS(OBS, PRED)" CA 67 1.156 1
45 1 8 1 "RMS(OBS, PRED)" CB 61 0.967 1
46 1 8 1 "RMS(OBS, PRED)" H 62 0.484 1
47 1 8 1 "RMS(OBS, PRED)" HA 72 0.273 1
48 1 8 1 "RMS(OBS, PRED)" N 62 2.418 1
49 1 9 1 "RMS(OBS, PRED)" C 60 0.946 1
50 1 9 1 "RMS(OBS, PRED)" CA 67 1.148 1
51 1 9 1 "RMS(OBS, PRED)" CB 61 1.343 1
52 1 9 1 "RMS(OBS, PRED)" H 62 0.458 1
53 1 9 1 "RMS(OBS, PRED)" HA 72 0.292 1
54 1 9 1 "RMS(OBS, PRED)" N 62 2.683 1
55 1 10 1 "RMS(OBS, PRED)" C 60 0.987 1
56 1 10 1 "RMS(OBS, PRED)" CA 67 1.115 1
57 1 10 1 "RMS(OBS, PRED)" CB 61 1.062 1
58 1 10 1 "RMS(OBS, PRED)" H 62 0.445 1
59 1 10 1 "RMS(OBS, PRED)" HA 72 0.288 1
60 1 10 1 "RMS(OBS, PRED)" N 62 2.288 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 16 . 1 1 A 2 2 LEU H H 2 9.099 8.582 0.517 2
1 17 . 1 1 A 2 2 LEU HA H 2 5.183 5.097 0.086 2
1 26 . 1 1 A 2 2 LEU C C 2 176.031 175.112 0.919 2
1 27 . 1 1 A 2 2 LEU CA C 2 53.682 53.868 -0.186 2
1 28 . 1 1 A 2 2 LEU CB C 2 43.994 44.299 -0.305 2
1 31 . 1 1 A 2 2 LEU N N 2 125.441 125.244 0.197 2
1 32 . 1 1 A 3 3 VAL H H 3 9.070 8.841 0.229 2
1 33 . 1 1 A 3 3 VAL HA H 3 4.720 4.676 0.044 2
1 41 . 1 1 A 3 3 VAL C C 3 173.653 174.716 -1.063 2
1 42 . 1 1 A 3 3 VAL CA C 3 59.935 61.231 -1.296 2
1 43 . 1 1 A 3 3 VAL CB C 3 34.312 35.019 -0.707 2
1 46 . 1 1 A 3 3 VAL N N 3 123.079 124.411 -1.332 2
1 47 . 1 1 A 4 4 ILE H H 4 8.552 9.368 -0.816 2
1 48 . 1 1 A 4 4 ILE HA H 4 4.530 4.667 -0.137 2
1 58 . 1 1 A 4 4 ILE C C 4 174.344 175.418 -1.074 2
1 59 . 1 1 A 4 4 ILE CA C 4 59.313 60.819 -1.506 2
1 60 . 1 1 A 4 4 ILE CB C 4 38.999 37.211 1.788 2
1 64 . 1 1 A 4 4 ILE N N 4 124.929 128.498 -3.569 2
1 65 . 1 1 A 5 5 VAL H H 5 8.911 8.621 0.290 2
1 66 . 1 1 A 5 5 VAL HA H 5 4.968 4.572 0.396 2
1 74 . 1 1 A 5 5 VAL C C 5 174.722 175.326 -0.604 2
1 75 . 1 1 A 5 5 VAL CA C 5 60.247 62.374 -2.127 2
1 76 . 1 1 A 5 5 VAL CB C 5 33.369 32.355 1.014 2
1 79 . 1 1 A 5 5 VAL N N 5 127.032 128.549 -1.518 2
1 80 . 1 1 A 6 6 ARG H H 6 9.417 8.926 0.491 2
1 81 . 1 1 A 6 6 ARG HA H 6 4.945 4.733 0.212 2
1 89 . 1 1 A 6 6 ARG C C 6 174.662 175.436 -0.774 2
1 90 . 1 1 A 6 6 ARG CA C 6 55.557 55.568 -0.010 2
1 91 . 1 1 A 6 6 ARG CB C 6 30.557 31.104 -0.547 2
1 94 . 1 1 A 6 6 ARG N N 6 127.895 127.852 0.043 2
1 96 . 1 1 A 7 7 LEU H H 7 8.368 8.873 -0.505 2
1 97 . 1 1 A 7 7 LEU HA H 7 4.761 4.421 0.340 2
1 107 . 1 1 A 7 7 LEU C C 7 175.869 177.881 -2.012 2
1 108 . 1 1 A 7 7 LEU CA C 7 53.682 54.108 -0.426 2
1 109 . 1 1 A 7 7 LEU CB C 7 43.994 42.541 1.453 2
1 112 . 1 1 A 7 7 LEU N N 7 127.357 126.698 0.659 2
1 113 . 1 1 A 8 8 GLN H H 8 9.244 8.760 0.484 2
1 114 . 1 1 A 8 8 GLN HA H 8 3.825 3.911 -0.086 2
1 119 . 1 1 A 8 8 GLN C C 8 175.478 176.533 -1.055 2
1 120 . 1 1 A 8 8 GLN CA C 8 58.372 59.578 -1.206 2
1 121 . 1 1 A 8 8 GLN CB C 8 27.125 28.736 -1.611 2
1 123 . 1 1 A 8 8 GLN N N 8 123.025 123.573 -0.547 2
1 124 . 1 1 A 9 9 ASP H H 9 8.622 8.038 0.584 2
1 125 . 1 1 A 9 9 ASP HA H 9 4.609 4.708 -0.099 2
1 128 . 1 1 A 9 9 ASP C C 9 175.352 174.775 0.577 2
1 129 . 1 1 A 9 9 ASP CA C 9 54.619 53.938 0.681 2
1 130 . 1 1 A 9 9 ASP CB C 9 40.576 41.547 -0.971 2
1 131 . 1 1 A 9 9 ASP N N 9 117.207 117.851 -0.644 2
1 132 . 1 1 A 10 10 GLN H H 10 7.972 7.569 0.403 2
1 133 . 1 1 A 10 10 GLN HA H 10 4.644 4.894 -0.250 2
1 138 . 1 1 A 10 10 GLN C C 10 174.812 174.536 0.276 2
1 139 . 1 1 A 10 10 GLN CA C 10 54.932 54.473 0.459 2
1 140 . 1 1 A 10 10 GLN CB C 10 31.807 33.060 -1.253 2
1 142 . 1 1 A 10 10 GLN N N 10 118.451 117.546 0.906 2
1 143 . 1 1 A 11 11 THR H H 11 8.593 8.602 -0.009 2
1 144 . 1 1 A 11 11 THR HA H 11 4.874 5.142 -0.268 2
1 149 . 1 1 A 11 11 THR C C 11 173.521 173.535 -0.014 2
1 150 . 1 1 A 11 11 THR CA C 11 61.810 61.724 0.086 2
1 151 . 1 1 A 11 11 THR CB C 11 69.934 71.174 -1.240 2
1 153 . 1 1 A 11 11 THR N N 11 118.464 116.702 1.762 2
1 154 . 1 1 A 12 12 LEU H H 12 9.554 8.580 0.974 2
1 155 . 1 1 A 12 12 LEU HA H 12 4.872 4.735 0.137 2
1 164 . 1 1 A 12 12 LEU CA C 12 51.494 51.182 0.312 2
1 165 . 1 1 A 12 12 LEU CB C 12 44.932 45.579 -0.647 2
1 168 . 1 1 A 12 12 LEU N N 12 128.567 125.805 2.762 2
1 169 . 1 1 A 13 13 PRO HA H 13 5.141 4.839 0.302 2
1 176 . 1 1 A 13 13 PRO C C 13 176.800 175.378 1.422 2
1 177 . 1 1 A 13 13 PRO CA C 13 60.869 62.409 -1.540 2
1 178 . 1 1 A 13 13 PRO CB C 13 32.119 33.267 -1.148 2
1 181 . 1 1 A 14 14 PHE H H 14 9.302 8.588 0.714 2
1 182 . 1 1 A 14 14 PHE HA H 14 4.622 4.985 -0.363 2
1 189 . 1 1 A 14 14 PHE C C 14 173.677 174.385 -0.708 2
1 190 . 1 1 A 14 14 PHE CA C 14 57.747 56.194 1.553 2
1 191 . 1 1 A 14 14 PHE CB C 14 42.749 42.575 0.174 2
1 192 . 1 1 A 14 14 PHE N N 14 121.778 120.030 1.748 2
1 193 . 1 1 A 15 15 GLU H H 15 8.516 8.892 -0.376 2
1 194 . 1 1 A 15 15 GLU HA H 15 5.260 4.720 0.540 2
1 199 . 1 1 A 15 15 GLU C C 15 175.821 175.590 0.231 2
1 200 . 1 1 A 15 15 GLU CA C 15 54.932 56.225 -1.293 2
1 201 . 1 1 A 15 15 GLU CB C 15 30.244 30.868 -0.624 2
1 203 . 1 1 A 15 15 GLU N N 15 123.002 124.135 -1.133 2
1 204 . 1 1 A 16 16 LEU H H 16 8.937 8.650 0.287 2
1 205 . 1 1 A 16 16 LEU HA H 16 4.952 4.831 0.121 2
1 215 . 1 1 A 16 16 LEU CA C 16 51.494 51.638 -0.143 2
1 216 . 1 1 A 16 16 LEU CB C 16 44.941 44.305 0.636 2
1 220 . 1 1 A 16 16 LEU N N 16 126.803 129.130 -2.327 2
1 221 . 1 1 A 17 17 PRO HA H 17 4.547 4.613 -0.066 2
1 228 . 1 1 A 17 17 PRO C C 17 175.472 176.239 -0.767 2
1 229 . 1 1 A 17 17 PRO CA C 17 62.119 62.322 -0.203 2
1 230 . 1 1 A 17 17 PRO CB C 17 32.119 32.631 -0.512 2
1 233 . 1 1 A 18 18 ALA H H 18 7.892 8.246 -0.354 2
1 234 . 1 1 A 18 18 ALA HA H 18 4.065 3.959 0.106 2
1 238 . 1 1 A 18 18 ALA C C 18 178.735 178.553 0.182 2
1 239 . 1 1 A 18 18 ALA CA C 18 53.060 53.821 -0.760 2
1 240 . 1 1 A 18 18 ALA CB C 18 18.063 18.458 -0.395 2
1 241 . 1 1 A 18 18 ALA N N 18 121.997 124.962 -2.965 2
1 242 . 1 1 A 19 19 GLY H H 19 8.519 8.886 -0.367 2
1 243 . 1 1 A 19 19 GLY HA2 H 19 3.754 3.870 -0.116 2
1 244 . 1 1 A 19 19 GLY HA3 H 19 4.066 3.871 0.195 2
1 245 . 1 1 A 19 19 GLY C C 19 174.376 174.731 -0.355 2
1 246 . 1 1 A 19 19 GLY CA C 19 44.625 46.177 -1.552 2
1 247 . 1 1 A 19 19 GLY N N 19 110.335 110.763 -0.428 2
1 248 . 1 1 A 20 20 ALA H H 20 7.459 7.722 -0.263 2
1 249 . 1 1 A 20 20 ALA HA H 20 4.210 4.333 -0.123 2
1 253 . 1 1 A 20 20 ALA C C 20 176.171 176.879 -0.708 2
1 254 . 1 1 A 20 20 ALA CA C 20 52.751 52.524 0.227 2
1 255 . 1 1 A 20 20 ALA CB C 20 20.563 19.979 0.584 2
1 256 . 1 1 A 20 20 ALA N N 20 121.746 123.464 -1.718 2
1 257 . 1 1 A 21 21 ARG H H 21 8.148 8.610 -0.462 2
1 258 . 1 1 A 21 21 ARG HA H 21 5.132 4.770 0.362 2
1 265 . 1 1 A 21 21 ARG C C 21 178.292 176.673 1.619 2
1 266 . 1 1 A 21 21 ARG CA C 21 53.369 54.058 -0.689 2
1 267 . 1 1 A 21 21 ARG CB C 21 32.921 32.950 -0.030 2
1 270 . 1 1 A 21 21 ARG N N 21 118.121 119.057 -0.936 2
1 271 . 1 1 A 22 22 ALA H H 22 8.867 8.822 0.045 2
1 272 . 1 1 A 22 22 ALA HA H 22 3.799 3.993 -0.194 2
1 276 . 1 1 A 22 22 ALA C C 22 178.735 179.523 -0.788 2
1 277 . 1 1 A 22 22 ALA CA C 22 55.872 55.339 0.533 2
1 278 . 1 1 A 22 22 ALA CB C 22 18.375 18.289 0.086 2
1 279 . 1 1 A 22 22 ALA N N 22 123.186 123.260 -0.075 2
1 280 . 1 1 A 23 23 SER H H 23 8.383 8.099 0.284 2
1 281 . 1 1 A 23 23 SER HA H 23 4.205 4.095 0.110 2
1 284 . 1 1 A 23 23 SER C C 23 176.754 177.338 -0.584 2
1 285 . 1 1 A 23 23 SER CA C 23 60.557 61.394 -0.837 2
1 286 . 1 1 A 23 23 SER CB C 23 61.807 63.029 -1.222 2
1 287 . 1 1 A 23 23 SER N N 23 111.612 113.387 -1.775 2
1 288 . 1 1 A 24 24 GLN H H 24 7.744 8.094 -0.350 2
1 289 . 1 1 A 24 24 GLN HA H 24 4.173 3.961 0.213 2
1 294 . 1 1 A 24 24 GLN C C 24 178.689 177.947 0.742 2
1 295 . 1 1 A 24 24 GLN CA C 24 58.682 59.140 -0.458 2
1 296 . 1 1 A 24 24 GLN CB C 24 28.682 28.231 0.451 2
1 298 . 1 1 A 24 24 GLN N N 24 121.537 120.703 0.834 2
1 299 . 1 1 A 25 25 LEU H H 25 7.199 7.866 -0.667 2
1 300 . 1 1 A 25 25 LEU HA H 25 3.970 4.000 -0.030 2
1 310 . 1 1 A 25 25 LEU C C 25 177.966 178.555 -0.589 2
1 311 . 1 1 A 25 25 LEU CA C 25 56.810 57.983 -1.173 2
1 312 . 1 1 A 25 25 LEU CB C 25 41.494 41.331 0.163 2
1 316 . 1 1 A 25 25 LEU N N 25 119.709 121.797 -2.089 2
1 317 . 1 1 A 26 26 SER H H 26 8.650 8.161 0.489 2
1 318 . 1 1 A 26 26 SER HA H 26 3.970 3.933 0.037 2
1 321 . 1 1 A 26 26 SER C C 26 176.917 176.430 0.487 2
1 322 . 1 1 A 26 26 SER CA C 26 62.744 61.798 0.946 2
1 323 . 1 1 A 26 26 SER CB C 26 62.119 62.671 -0.552 2
1 324 . 1 1 A 26 26 SER N N 26 114.988 115.832 -0.844 2
1 325 . 1 1 A 27 27 ASN H H 27 7.876 7.944 -0.068 2
1 326 . 1 1 A 27 27 ASN HA H 27 4.517 4.433 0.084 2
1 329 . 1 1 A 27 27 ASN C C 27 177.197 177.805 -0.608 2
1 330 . 1 1 A 27 27 ASN CA C 27 55.869 56.516 -0.647 2
1 331 . 1 1 A 27 27 ASN CB C 27 38.369 38.889 -0.520 2
1 332 . 1 1 A 27 27 ASN N N 27 118.197 119.994 -1.797 2
1 333 . 1 1 A 28 28 LEU H H 28 7.433 8.081 -0.648 2
1 334 . 1 1 A 28 28 LEU HA H 28 4.219 3.926 0.293 2
1 344 . 1 1 A 28 28 LEU C C 28 179.411 178.978 0.433 2
1 345 . 1 1 A 28 28 LEU CA C 28 57.122 57.952 -0.829 2
1 346 . 1 1 A 28 28 LEU CB C 28 41.984 41.974 0.010 2
1 350 . 1 1 A 28 28 LEU N N 28 120.223 120.089 0.134 2
1 351 . 1 1 A 29 29 LEU H H 29 7.866 7.995 -0.129 2
1 352 . 1 1 A 29 29 LEU HA H 29 4.091 3.846 0.245 2
1 362 . 1 1 A 29 29 LEU C C 29 178.386 179.002 -0.617 2
1 363 . 1 1 A 29 29 LEU CA C 29 56.497 57.662 -1.165 2
1 364 . 1 1 A 29 29 LEU CB C 29 42.124 41.007 1.117 2
1 368 . 1 1 A 29 29 LEU N N 29 119.017 117.928 1.089 2
1 369 . 1 1 A 30 30 SER H H 30 8.117 8.068 0.049 2
1 370 . 1 1 A 30 30 SER HA H 30 4.615 4.021 0.594 2
1 373 . 1 1 A 30 30 SER C C 30 175.145 176.876 -1.732 2
1 374 . 1 1 A 30 30 SER CA C 30 59.932 61.409 -1.477 2
1 375 . 1 1 A 30 30 SER CB C 30 63.057 62.904 0.153 2
1 376 . 1 1 A 30 30 SER N N 30 114.044 114.636 -0.592 2
1 377 . 1 1 A 31 31 SER H H 31 8.084 8.171 -0.087 2
1 378 . 1 1 A 31 31 SER HA H 31 4.535 4.127 0.408 2
1 381 . 1 1 A 31 31 SER CA C 31 58.994 61.334 -2.340 2
1 382 . 1 1 A 31 31 SER CB C 31 63.682 63.014 0.668 2
1 383 . 1 1 A 31 31 SER N N 31 115.938 115.887 0.051 2
1 384 . 1 1 A 32 32 SER HA H 32 4.547 4.473 0.074 2
1 387 . 1 1 A 32 32 SER CA C 32 58.682 58.733 -0.051 2
1 388 . 1 1 A 32 32 SER CB C 32 63.369 64.419 -1.050 2
1 389 . 1 1 A 33 33 GLY H H 33 8.080 8.136 -0.056 2
1 390 . 1 1 A 33 33 GLY HA2 H 33 3.786 3.902 -0.116 2
1 391 . 1 1 A 33 33 GLY HA3 H 33 4.160 3.916 0.244 2
1 392 . 1 1 A 33 33 GLY C C 33 173.746 174.012 -0.266 2
1 393 . 1 1 A 33 33 GLY CA C 33 45.561 46.499 -0.938 2
1 394 . 1 1 A 33 33 GLY N N 33 109.530 111.137 -1.607 2
1 395 . 1 1 A 34 34 MET H H 34 7.781 7.967 -0.186 2
1 396 . 1 1 A 34 34 MET HA H 34 4.371 4.703 -0.332 2
1 401 . 1 1 A 34 34 MET C C 34 174.073 174.763 -0.690 2
1 402 . 1 1 A 34 34 MET CA C 34 54.619 55.310 -0.691 2
1 403 . 1 1 A 34 34 MET CB C 34 33.994 34.535 -0.541 2
1 405 . 1 1 A 34 34 MET N N 34 119.527 119.582 -0.055 2
1 406 . 1 1 A 35 35 ALA H H 35 7.956 8.498 -0.542 2
1 407 . 1 1 A 35 35 ALA HA H 35 4.374 4.580 -0.206 2
1 411 . 1 1 A 35 35 ALA C C 35 175.915 175.745 0.170 2
1 412 . 1 1 A 35 35 ALA CA C 35 51.185 50.949 0.236 2
1 413 . 1 1 A 35 35 ALA CB C 35 19.000 20.512 -1.512 2
1 414 . 1 1 A 35 35 ALA N N 35 125.314 122.626 2.688 2
1 415 . 1 1 A 36 36 PHE H H 36 7.838 7.879 -0.041 2
1 416 . 1 1 A 36 36 PHE HA H 36 4.858 5.295 -0.437 2
1 424 . 1 1 A 36 36 PHE C C 36 175.868 173.310 2.558 2
1 425 . 1 1 A 36 36 PHE CA C 36 57.122 54.938 2.184 2
1 426 . 1 1 A 36 36 PHE CB C 36 41.812 41.550 0.262 2
1 427 . 1 1 A 36 36 PHE N N 36 117.347 119.181 -1.835 2
1 428 . 1 1 A 37 37 SER H H 37 8.943 8.351 0.592 2
1 429 . 1 1 A 37 37 SER HA H 37 4.623 4.741 -0.118 2
1 432 . 1 1 A 37 37 SER C C 37 173.490 174.114 -0.624 2
1 433 . 1 1 A 37 37 SER CA C 37 57.432 58.460 -1.028 2
1 434 . 1 1 A 37 37 SER CB C 37 63.994 63.855 0.139 2
1 435 . 1 1 A 37 37 SER N N 37 117.034 116.092 0.942 2
1 436 . 1 1 A 38 38 LEU H H 38 8.787 8.907 -0.120 2
1 437 . 1 1 A 38 38 LEU HA H 38 5.072 4.910 0.162 2
1 447 . 1 1 A 38 38 LEU C C 38 175.467 175.774 -0.307 2
1 448 . 1 1 A 38 38 LEU CA C 38 53.994 53.820 0.174 2
1 449 . 1 1 A 38 38 LEU CB C 38 43.057 43.004 0.053 2
1 453 . 1 1 A 38 38 LEU N N 38 124.534 126.635 -2.101 2
1 454 . 1 1 A 39 39 HIS H H 39 9.132 8.775 0.357 2
1 455 . 1 1 A 39 39 HIS HA H 39 5.434 5.750 -0.316 2
1 458 . 1 1 A 39 39 HIS C C 39 174.656 172.735 1.921 2
1 459 . 1 1 A 39 39 HIS CA C 39 53.994 53.570 0.424 2
1 460 . 1 1 A 39 39 HIS CB C 39 35.869 33.280 2.589 2
1 461 . 1 1 A 39 39 HIS N N 39 121.803 120.653 1.150 2
1 462 . 1 1 A 40 40 THR H H 40 9.101 8.756 0.345 2
1 463 . 1 1 A 40 40 THR HA H 40 4.947 4.814 0.133 2
1 468 . 1 1 A 40 40 THR C C 40 173.373 173.923 -0.550 2
1 469 . 1 1 A 40 40 THR CA C 40 60.872 60.150 0.722 2
1 470 . 1 1 A 40 40 THR CB C 40 69.934 71.492 -1.558 2
1 472 . 1 1 A 40 40 THR N N 40 114.826 112.274 2.552 2
1 473 . 1 1 A 41 41 GLN H H 41 9.462 9.432 0.030 2
1 474 . 1 1 A 41 41 GLN HA H 41 3.967 4.021 -0.054 2
1 479 . 1 1 A 41 41 GLN C C 41 176.031 175.719 0.312 2
1 480 . 1 1 A 41 41 GLN CA C 41 56.809 57.022 -0.212 2
1 481 . 1 1 A 41 41 GLN CB C 41 27.119 27.259 -0.140 2
1 483 . 1 1 A 41 41 GLN N N 41 125.458 124.111 1.347 2
1 484 . 1 1 A 42 42 GLY H H 42 9.114 8.790 0.324 2
1 485 . 1 1 A 42 42 GLY HA2 H 42 3.681 3.643 0.038 2
1 486 . 1 1 A 42 42 GLY HA3 H 42 4.177 3.825 0.352 2
1 487 . 1 1 A 42 42 GLY C C 42 173.977 173.772 0.205 2
1 488 . 1 1 A 42 42 GLY CA C 42 45.557 45.605 -0.048 2
1 489 . 1 1 A 42 42 GLY N N 42 105.029 104.551 0.478 2
1 490 . 1 1 A 43 43 ARG H H 43 8.140 7.990 0.150 2
1 491 . 1 1 A 43 43 ARG HA H 43 4.725 4.712 0.013 2
1 498 . 1 1 A 43 43 ARG CA C 43 53.994 54.399 -0.405 2
1 499 . 1 1 A 43 43 ARG CB C 43 32.744 32.921 -0.177 2
1 502 . 1 1 A 43 43 ARG N N 43 121.025 119.653 1.373 2
1 503 . 1 1 A 44 44 VAL HA H 44 3.819 4.164 -0.345 2
1 511 . 1 1 A 44 44 VAL C C 44 176.124 175.778 0.346 2
1 512 . 1 1 A 44 44 VAL CA C 44 62.747 63.114 -0.367 2
1 513 . 1 1 A 44 44 VAL CB C 44 32.125 32.205 -0.080 2
1 516 . 1 1 A 45 45 LEU H H 45 8.513 8.545 -0.032 2
1 517 . 1 1 A 45 45 LEU HA H 45 4.388 4.850 -0.462 2
1 527 . 1 1 A 45 45 LEU C C 45 177.197 177.314 -0.117 2
1 528 . 1 1 A 45 45 LEU CA C 45 53.682 53.693 -0.011 2
1 529 . 1 1 A 45 45 LEU CB C 45 42.437 42.994 -0.557 2
1 533 . 1 1 A 45 45 LEU N N 45 129.261 128.301 0.960 2
1 534 . 1 1 A 46 46 SER H H 46 8.238 8.768 -0.530 2
1 535 . 1 1 A 46 46 SER HA H 46 4.441 4.754 -0.313 2
1 538 . 1 1 A 46 46 SER C C 46 175.052 175.769 -0.717 2
1 539 . 1 1 A 46 46 SER CA C 46 57.744 57.531 0.213 2
1 540 . 1 1 A 46 46 SER CB C 46 63.682 64.933 -1.251 2
1 541 . 1 1 A 46 46 SER N N 46 116.459 119.137 -2.678 2
1 542 . 1 1 A 47 47 GLU H H 47 8.743 9.030 -0.287 2
1 543 . 1 1 A 47 47 GLU HA H 47 4.009 4.105 -0.096 2
1 548 . 1 1 A 47 47 GLU C C 47 176.054 177.330 -1.276 2
1 549 . 1 1 A 47 47 GLU CA C 47 59.307 59.056 0.251 2
1 550 . 1 1 A 47 47 GLU CB C 47 29.619 29.589 0.030 2
1 552 . 1 1 A 47 47 GLU N N 47 121.669 121.864 -0.195 2
1 553 . 1 1 A 48 48 ALA H H 48 7.738 7.491 0.247 2
1 554 . 1 1 A 48 48 ALA HA H 48 4.477 4.464 0.013 2
1 558 . 1 1 A 48 48 ALA C C 48 177.267 177.430 -0.163 2
1 559 . 1 1 A 48 48 ALA CA C 48 50.873 51.467 -0.594 2
1 560 . 1 1 A 48 48 ALA CB C 48 19.000 19.590 -0.590 2
1 561 . 1 1 A 48 48 ALA N N 48 117.799 120.976 -3.177 2
1 562 . 1 1 A 49 49 ALA H H 49 7.597 7.565 0.032 2
1 563 . 1 1 A 49 49 ALA HA H 49 4.086 4.201 -0.115 2
1 567 . 1 1 A 49 49 ALA C C 49 177.104 176.883 0.221 2
1 568 . 1 1 A 49 49 ALA CA C 49 52.748 53.187 -0.439 2
1 569 . 1 1 A 49 49 ALA CB C 49 19.938 19.167 0.771 2
1 570 . 1 1 A 49 49 ALA N N 49 122.785 122.049 0.736 2
1 571 . 1 1 A 50 50 GLU H H 50 8.511 8.679 -0.168 2
1 572 . 1 1 A 50 50 GLU HA H 50 4.140 4.840 -0.700 2
1 577 . 1 1 A 50 50 GLU C C 50 176.054 175.722 0.332 2
1 578 . 1 1 A 50 50 GLU CA C 50 56.807 55.283 1.524 2
1 579 . 1 1 A 50 50 GLU CB C 50 30.557 31.367 -0.810 2
1 581 . 1 1 A 50 50 GLU N N 50 121.303 123.748 -2.445 2
1 582 . 1 1 A 51 51 LEU H H 51 8.047 8.782 -0.735 2
1 583 . 1 1 A 51 51 LEU HA H 51 4.501 4.561 -0.059 2
1 593 . 1 1 A 51 51 LEU C C 51 174.656 176.044 -1.388 2
1 594 . 1 1 A 51 51 LEU CA C 51 53.379 54.862 -1.483 2
1 595 . 1 1 A 51 51 LEU CB C 51 42.121 42.747 -0.626 2
1 599 . 1 1 A 51 51 LEU N N 51 122.325 127.754 -5.429 2
1 600 . 1 1 A 52 52 ASN H H 52 7.424 8.222 -0.798 2
1 601 . 1 1 A 52 52 ASN HA H 52 5.067 5.085 -0.018 2
1 606 . 1 1 A 52 52 ASN C C 52 173.094 172.887 0.207 2
1 607 . 1 1 A 52 52 ASN CA C 52 52.119 51.977 0.142 2
1 608 . 1 1 A 52 52 ASN CB C 52 42.744 41.827 0.918 2
1 609 . 1 1 A 52 52 ASN N N 52 115.275 115.367 -0.092 2
1 611 . 1 1 A 53 53 ASP H H 53 8.495 8.684 -0.189 2
1 612 . 1 1 A 53 53 ASP HA H 53 4.376 4.626 -0.250 2
1 615 . 1 1 A 53 53 ASP C C 53 176.544 176.691 -0.147 2
1 616 . 1 1 A 53 53 ASP CA C 53 55.869 54.349 1.520 2
1 617 . 1 1 A 53 53 ASP CB C 53 41.807 41.613 0.194 2
1 618 . 1 1 A 53 53 ASP N N 53 118.480 121.558 -3.078 2
1 619 . 1 1 A 54 54 LYS H H 54 9.479 8.905 0.574 2
1 620 . 1 1 A 54 54 LYS HA H 54 3.713 3.889 -0.176 2
1 621 . 1 1 A 54 54 LYS C C 54 175.495 175.648 -0.153 2
1 622 . 1 1 A 54 54 LYS CA C 54 57.750 57.123 0.626 2
1 623 . 1 1 A 54 54 LYS N N 54 119.414 122.758 -3.344 2
1 624 . 1 1 A 55 55 MET H H 55 7.665 8.032 -0.367 2
1 625 . 1 1 A 55 55 MET HA H 55 4.198 4.681 -0.483 2
1 630 . 1 1 A 55 55 MET C C 55 173.746 174.766 -1.020 2
1 631 . 1 1 A 55 55 MET CA C 55 57.119 54.881 2.238 2
1 632 . 1 1 A 55 55 MET CB C 55 34.932 34.382 0.550 2
1 634 . 1 1 A 55 55 MET N N 55 119.804 117.398 2.406 2
1 635 . 1 1 A 56 56 VAL H H 56 8.282 8.484 -0.202 2
1 636 . 1 1 A 56 56 VAL HA H 56 4.831 4.754 0.077 2
1 644 . 1 1 A 56 56 VAL C C 56 176.264 174.603 1.661 2
1 645 . 1 1 A 56 56 VAL CA C 56 61.497 61.584 -0.087 2
1 646 . 1 1 A 56 56 VAL CB C 56 32.437 34.483 -2.046 2
1 649 . 1 1 A 56 56 VAL N N 56 122.814 119.216 3.598 2
1 650 . 1 1 A 57 57 ILE H H 57 9.651 9.182 0.469 2
1 651 . 1 1 A 57 57 ILE HA H 57 4.644 4.803 -0.159 2
1 661 . 1 1 A 57 57 ILE C C 57 173.770 174.353 -0.583 2
1 662 . 1 1 A 57 57 ILE CA C 57 59.307 60.044 -0.737 2
1 663 . 1 1 A 57 57 ILE CB C 57 41.494 40.363 1.131 2
1 667 . 1 1 A 57 57 ILE N N 57 132.467 127.934 4.533 2
1 668 . 1 1 A 58 58 ASP H H 58 9.257 8.814 0.443 2
1 669 . 1 1 A 58 58 ASP HA H 58 5.173 5.015 0.158 2
1 672 . 1 1 A 58 58 ASP C C 58 173.886 174.738 -0.852 2
1 673 . 1 1 A 58 58 ASP CA C 58 53.994 52.930 1.064 2
1 674 . 1 1 A 58 58 ASP CB C 58 43.682 41.720 1.962 2
1 675 . 1 1 A 58 58 ASP N N 58 127.121 127.465 -0.344 2
1 676 . 1 1 A 59 59 ALA H H 59 8.424 9.028 -0.604 2
1 677 . 1 1 A 59 59 ALA HA H 59 5.335 5.063 0.272 2
1 681 . 1 1 A 59 59 ALA C C 59 175.611 175.935 -0.324 2
1 682 . 1 1 A 59 59 ALA CA C 59 49.935 50.736 -0.801 2
1 683 . 1 1 A 59 59 ALA CB C 59 20.875 20.180 0.695 2
1 684 . 1 1 A 59 59 ALA N N 59 125.860 128.785 -2.925 2
1 685 . 1 1 A 60 60 PHE H H 60 8.621 9.232 -0.611 2
1 686 . 1 1 A 60 60 PHE HA H 60 4.986 5.216 -0.230 2
1 693 . 1 1 A 60 60 PHE C C 60 174.469 174.276 0.193 2
1 694 . 1 1 A 60 60 PHE CA C 60 55.872 56.368 -0.496 2
1 695 . 1 1 A 60 60 PHE CB C 60 41.187 41.644 -0.457 2
1 696 . 1 1 A 60 60 PHE N N 60 119.918 125.633 -5.715 2
1 697 . 1 1 A 61 61 VAL H H 61 8.648 8.547 0.101 2
1 698 . 1 1 A 61 61 VAL HA H 61 4.458 4.434 0.024 2
1 706 . 1 1 A 61 61 VAL CA C 61 59.622 58.672 0.950 2
1 707 . 1 1 A 61 61 VAL CB C 61 32.437 32.969 -0.532 2
1 710 . 1 1 A 61 61 VAL N N 61 123.408 122.991 0.417 2
1 711 . 1 1 A 62 62 PRO HA H 62 4.395 4.553 -0.158 2
1 718 . 1 1 A 62 62 PRO C C 62 176.614 176.655 -0.041 2
1 719 . 1 1 A 62 62 PRO CA C 62 63.057 62.426 0.631 2
1 720 . 1 1 A 62 62 PRO CB C 62 32.119 32.369 -0.250 2
1 723 . 1 1 A 63 63 ALA H H 63 8.410 8.357 0.053 2
1 724 . 1 1 A 63 63 ALA HA H 63 4.281 4.605 -0.324 2
1 728 . 1 1 A 63 63 ALA C C 63 177.527 176.892 0.635 2
1 729 . 1 1 A 63 63 ALA CA C 63 52.435 51.402 1.033 2
1 730 . 1 1 A 63 63 ALA CB C 63 19.000 20.965 -1.965 2
1 731 . 1 1 A 63 63 ALA N N 63 124.350 123.723 0.627 2
1 732 . 1 1 A 64 64 ASP H H 64 8.264 8.706 -0.442 2
1 733 . 1 1 A 64 64 ASP HA H 64 4.571 4.579 -0.008 2
1 736 . 1 1 A 64 64 ASP C C 64 176.824 176.753 0.071 2
1 737 . 1 1 A 64 64 ASP CA C 64 53.994 55.191 -1.196 2
1 738 . 1 1 A 64 64 ASP CB C 64 41.182 40.708 0.474 2
1 739 . 1 1 A 64 64 ASP N N 64 118.930 119.674 -0.744 2
1 740 . 1 1 A 65 65 GLY H H 65 8.289 8.622 -0.333 2
1 741 . 1 1 A 65 65 GLY HA2 H 65 3.906 4.123 -0.217 2
1 742 . 1 1 A 65 65 GLY HA3 H 65 3.906 4.127 -0.221 2
1 743 . 1 1 A 65 65 GLY C C 65 174.096 173.404 0.692 2
1 744 . 1 1 A 65 65 GLY CA C 65 45.249 45.435 -0.186 2
1 745 . 1 1 A 65 65 GLY N N 65 109.281 111.042 -1.761 2
1 746 . 1 1 A 66 66 ALA H H 66 8.147 8.306 -0.159 2
1 747 . 1 1 A 66 66 ALA HA H 66 4.306 4.525 -0.219 2
1 751 . 1 1 A 66 66 ALA CA C 66 52.435 52.155 0.280 2
1 752 . 1 1 A 66 66 ALA CB C 66 19.000 20.104 -1.104 2
1 753 . 1 1 A 66 66 ALA N N 66 123.586 122.318 1.268 2
1 754 . 1 1 A 67 67 GLY H H 67 8.414 8.279 0.135 2
1 755 . 1 1 A 67 67 GLY HA2 H 67 3.921 4.098 -0.177 2
1 756 . 1 1 A 67 67 GLY HA3 H 67 3.921 4.099 -0.178 2
1 757 . 1 1 A 67 67 GLY C C 67 174.306 175.169 -0.863 2
1 758 . 1 1 A 67 67 GLY CA C 67 45.561 45.746 -0.185 2
1 759 . 1 1 A 67 67 GLY N N 67 108.025 107.662 0.363 2
1 760 . 1 1 A 68 68 LEU H H 68 7.994 8.269 -0.275 2
1 761 . 1 1 A 68 68 LEU HA H 68 4.265 3.955 0.310 2
1 771 . 1 1 A 68 68 LEU C C 68 177.430 178.429 -0.999 2
1 772 . 1 1 A 68 68 LEU CA C 68 54.935 58.156 -3.220 2
1 773 . 1 1 A 68 68 LEU CB C 68 42.124 42.036 0.088 2
1 777 . 1 1 A 68 68 LEU N N 68 121.101 122.057 -0.956 2
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