data_11065_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 11065
_Entry.PDB_ID 2RQ1
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 4 . 1 1 1 A 2 2 SER HA H 80 4.477 4.267 0.210 1
1 7 . 1 1 1 A 2 2 SER CA C 80 58.344 58.955 -0.611 1
1 8 . 1 1 1 A 2 2 SER CB C 80 64.002 61.889 2.113 1
1 9 . 1 1 1 A 3 3 HIS HA H 81 4.614 4.622 -0.008 1
1 13 . 1 1 1 A 3 3 HIS C C 81 174.681 175.272 -0.591 1
1 14 . 1 1 1 A 3 3 HIS CA C 81 56.231 57.120 -0.889 1
1 15 . 1 1 1 A 3 3 HIS CB C 81 29.839 31.811 -1.972 1
1 17 . 1 1 1 A 4 4 MET H H 82 8.285 7.821 0.464 1
1 18 . 1 1 1 A 4 4 MET HA H 82 4.416 4.523 -0.107 1
1 26 . 1 1 1 A 4 4 MET C C 82 175.286 174.874 0.412 1
1 27 . 1 1 1 A 4 4 MET CA C 82 55.165 54.897 0.268 1
1 28 . 1 1 1 A 4 4 MET CB C 82 32.988 33.090 -0.102 1
1 31 . 1 1 1 A 4 4 MET N N 82 121.559 118.509 3.050 1
1 32 . 1 1 1 A 5 5 ASP H H 83 8.362 8.466 -0.104 1
1 33 . 1 1 1 A 5 5 ASP HA H 83 4.844 5.241 -0.397 1
1 36 . 1 1 1 A 5 5 ASP C C 83 175.239 174.880 0.359 1
1 37 . 1 1 1 A 5 5 ASP CA C 83 52.238 50.378 1.860 1
1 38 . 1 1 1 A 5 5 ASP CB C 83 41.471 43.180 -1.709 1
1 39 . 1 1 1 A 5 5 ASP N N 83 124.060 121.702 2.358 1
1 40 . 1 1 1 A 6 6 PRO HA H 84 4.327 4.434 -0.107 1
1 47 . 1 1 1 A 6 6 PRO C C 84 177.388 177.361 0.027 1
1 48 . 1 1 1 A 6 6 PRO CA C 84 64.084 64.157 -0.073 1
1 49 . 1 1 1 A 6 6 PRO CB C 84 32.022 31.814 0.208 1
1 52 . 1 1 1 A 7 7 ALA H H 85 8.406 8.152 0.254 1
1 53 . 1 1 1 A 7 7 ALA HA H 85 4.239 4.322 -0.083 1
1 57 . 1 1 1 A 7 7 ALA C C 85 178.462 178.132 0.330 1
1 58 . 1 1 1 A 7 7 ALA CA C 85 53.223 53.299 -0.076 1
1 59 . 1 1 1 A 7 7 ALA CB C 85 18.801 19.720 -0.919 1
1 60 . 1 1 1 A 7 7 ALA N N 85 121.868 119.339 2.529 1
1 61 . 1 1 1 A 8 8 GLN H H 86 7.985 7.490 0.495 1
1 62 . 1 1 1 A 8 8 GLN HA H 86 4.264 4.675 -0.411 1
1 69 . 1 1 1 A 8 8 GLN C C 86 176.124 176.632 -0.508 1
1 70 . 1 1 1 A 8 8 GLN CA C 86 56.101 55.066 1.035 1
1 71 . 1 1 1 A 8 8 GLN CB C 86 29.456 28.295 1.161 1
1 73 . 1 1 1 A 8 8 GLN N N 86 117.727 116.410 1.317 1
1 75 . 1 1 1 A 9 9 LEU H H 87 8.102 7.834 0.268 1
1 76 . 1 1 1 A 9 9 LEU HA H 87 4.394 4.173 0.221 1
1 86 . 1 1 1 A 9 9 LEU C C 87 177.923 178.965 -1.042 1
1 87 . 1 1 1 A 9 9 LEU CA C 87 55.454 57.051 -1.597 1
1 88 . 1 1 1 A 9 9 LEU CB C 87 42.188 42.091 0.097 1
1 92 . 1 1 1 A 9 9 LEU N N 87 122.045 119.151 2.894 1
1 93 . 1 1 1 A 10 10 THR H H 88 7.902 8.272 -0.370 1
1 94 . 1 1 1 A 10 10 THR HA H 88 4.258 3.932 0.326 1
1 99 . 1 1 1 A 10 10 THR C C 88 175.742 177.070 -1.328 1
1 100 . 1 1 1 A 10 10 THR CA C 88 62.974 65.732 -2.758 1
1 101 . 1 1 1 A 10 10 THR CB C 88 69.759 68.246 1.513 1
1 103 . 1 1 1 A 10 10 THR N N 88 113.859 112.581 1.278 1
1 104 . 1 1 1 A 11 11 GLU H H 89 8.594 8.579 0.015 1
1 105 . 1 1 1 A 11 11 GLU HA H 89 4.213 3.972 0.241 1
1 110 . 1 1 1 A 11 11 GLU C C 89 177.577 178.831 -1.254 1
1 111 . 1 1 1 A 11 11 GLU CA C 89 58.496 60.301 -1.805 1
1 112 . 1 1 1 A 11 11 GLU CB C 89 29.751 29.058 0.693 1
1 114 . 1 1 1 A 11 11 GLU N N 89 122.144 122.241 -0.097 1
1 115 . 1 1 1 A 12 12 ASP H H 90 8.244 8.057 0.187 1
1 116 . 1 1 1 A 12 12 ASP HA H 90 4.419 4.430 -0.011 1
1 119 . 1 1 1 A 12 12 ASP C C 90 178.623 178.542 0.081 1
1 120 . 1 1 1 A 12 12 ASP CA C 90 56.589 57.454 -0.865 1
1 121 . 1 1 1 A 12 12 ASP CB C 90 40.332 41.162 -0.830 1
1 122 . 1 1 1 A 12 12 ASP N N 90 119.922 119.217 0.705 1
1 123 . 1 1 1 A 13 13 ILE H H 91 8.092 7.923 0.169 1
1 124 . 1 1 1 A 13 13 ILE HA H 91 3.987 3.685 0.302 1
1 134 . 1 1 1 A 13 13 ILE C C 91 177.124 178.284 -1.160 1
1 135 . 1 1 1 A 13 13 ILE CA C 91 63.562 65.363 -1.801 1
1 136 . 1 1 1 A 13 13 ILE CB C 91 37.830 37.436 0.394 1
1 140 . 1 1 1 A 13 13 ILE N N 91 122.909 119.176 3.733 1
1 141 . 1 1 1 A 14 14 THR H H 92 8.045 8.386 -0.341 1
1 142 . 1 1 1 A 14 14 THR HA H 92 4.040 3.840 0.200 1
1 147 . 1 1 1 A 14 14 THR C C 92 177.358 176.920 0.438 1
1 148 . 1 1 1 A 14 14 THR CA C 92 66.244 65.453 0.791 1
1 149 . 1 1 1 A 14 14 THR CB C 92 68.629 68.940 -0.311 1
1 151 . 1 1 1 A 14 14 THR N N 92 116.529 114.471 2.058 1
1 152 . 1 1 1 A 15 15 ARG H H 93 7.984 8.189 -0.205 1
1 153 . 1 1 1 A 15 15 ARG HA H 93 3.974 3.973 0.001 1
1 161 . 1 1 1 A 15 15 ARG C C 93 177.719 177.885 -0.166 1
1 162 . 1 1 1 A 15 15 ARG CA C 93 60.312 59.445 0.867 1
1 163 . 1 1 1 A 15 15 ARG CB C 93 30.591 29.737 0.854 1
1 166 . 1 1 1 A 15 15 ARG N N 93 121.521 121.315 0.206 1
1 167 . 1 1 1 A 16 16 TYR H H 94 7.948 8.154 -0.206 1
1 168 . 1 1 1 A 16 16 TYR HA H 94 4.045 4.333 -0.288 1
1 175 . 1 1 1 A 16 16 TYR C C 94 177.690 177.349 0.341 1
1 176 . 1 1 1 A 16 16 TYR CA C 94 61.568 61.533 0.035 1
1 177 . 1 1 1 A 16 16 TYR CB C 94 37.543 38.714 -1.171 1
1 182 . 1 1 1 A 16 16 TYR N N 94 120.911 120.560 0.351 1
1 183 . 1 1 1 A 17 17 TYR H H 95 8.143 8.146 -0.003 1
1 184 . 1 1 1 A 17 17 TYR HA H 95 4.049 3.951 0.098 1
1 191 . 1 1 1 A 17 17 TYR C C 95 179.000 177.999 1.001 1
1 192 . 1 1 1 A 17 17 TYR CA C 95 61.454 61.836 -0.382 1
1 193 . 1 1 1 A 17 17 TYR CB C 95 37.483 37.910 -0.427 1
1 198 . 1 1 1 A 17 17 TYR N N 95 117.066 118.312 -1.246 1
1 199 . 1 1 1 A 18 18 LEU H H 96 7.976 8.851 -0.875 1
1 200 . 1 1 1 A 18 18 LEU HA H 96 4.203 3.873 0.330 1
1 210 . 1 1 1 A 18 18 LEU C C 96 178.998 178.417 0.581 1
1 211 . 1 1 1 A 18 18 LEU CA C 96 58.097 58.153 -0.056 1
1 212 . 1 1 1 A 18 18 LEU CB C 96 41.814 41.550 0.264 1
1 216 . 1 1 1 A 18 18 LEU N N 96 123.012 120.750 2.262 1
1 217 . 1 1 1 A 19 19 CYS H H 97 8.163 8.255 -0.092 1
1 218 . 1 1 1 A 19 19 CYS HA H 97 3.783 4.045 -0.262 1
1 221 . 1 1 1 A 19 19 CYS C C 97 176.663 176.824 -0.161 1
1 222 . 1 1 1 A 19 19 CYS CA C 97 64.973 62.395 2.578 1
1 223 . 1 1 1 A 19 19 CYS CB C 97 25.966 27.077 -1.111 1
1 224 . 1 1 1 A 19 19 CYS N N 97 117.202 118.128 -0.926 1
1 225 . 1 1 1 A 20 20 LEU H H 98 7.863 7.996 -0.133 1
1 226 . 1 1 1 A 20 20 LEU HA H 98 3.681 3.729 -0.048 1
1 236 . 1 1 1 A 20 20 LEU C C 98 179.392 179.250 0.142 1
1 237 . 1 1 1 A 20 20 LEU CA C 98 58.319 58.043 0.276 1
1 238 . 1 1 1 A 20 20 LEU CB C 98 41.944 41.217 0.727 1
1 242 . 1 1 1 A 20 20 LEU N N 98 118.833 121.344 -2.511 1
1 243 . 1 1 1 A 21 21 GLN H H 99 7.658 8.106 -0.448 1
1 244 . 1 1 1 A 21 21 GLN HA H 99 3.909 4.000 -0.091 1
1 251 . 1 1 1 A 21 21 GLN C C 99 178.326 178.492 -0.166 1
1 252 . 1 1 1 A 21 21 GLN CA C 99 58.704 58.253 0.451 1
1 253 . 1 1 1 A 21 21 GLN CB C 99 28.630 28.384 0.246 1
1 255 . 1 1 1 A 21 21 GLN N N 99 118.958 117.293 1.665 1
1 257 . 1 1 1 A 22 22 LEU H H 100 8.214 8.685 -0.471 1
1 258 . 1 1 1 A 22 22 LEU HA H 100 4.150 3.987 0.163 1
1 268 . 1 1 1 A 22 22 LEU C C 100 179.438 179.136 0.302 1
1 269 . 1 1 1 A 22 22 LEU CA C 100 58.320 57.594 0.726 1
1 270 . 1 1 1 A 22 22 LEU CB C 100 42.816 41.712 1.104 1
1 274 . 1 1 1 A 22 22 LEU N N 100 119.829 120.241 -0.412 1
1 275 . 1 1 1 A 23 23 ARG H H 101 8.722 8.468 0.254 1
1 276 . 1 1 1 A 23 23 ARG HA H 101 3.946 3.996 -0.050 1
1 284 . 1 1 1 A 23 23 ARG C C 101 179.448 178.716 0.732 1
1 285 . 1 1 1 A 23 23 ARG CA C 101 60.910 59.223 1.687 1
1 286 . 1 1 1 A 23 23 ARG CB C 101 29.853 29.732 0.121 1
1 288 . 1 1 1 A 23 23 ARG N N 101 117.690 118.988 -1.298 1
1 289 . 1 1 1 A 24 24 GLN H H 102 7.804 7.705 0.099 1
1 290 . 1 1 1 A 24 24 GLN HA H 102 4.015 4.041 -0.026 1
1 297 . 1 1 1 A 24 24 GLN C C 102 178.951 178.648 0.303 1
1 298 . 1 1 1 A 24 24 GLN CA C 102 58.785 58.474 0.311 1
1 299 . 1 1 1 A 24 24 GLN CB C 102 28.263 28.127 0.136 1
1 301 . 1 1 1 A 24 24 GLN N N 102 117.686 118.272 -0.586 1
1 303 . 1 1 1 A 25 25 ASP H H 103 8.393 8.003 0.390 1
1 304 . 1 1 1 A 25 25 ASP HA H 103 4.414 4.493 -0.079 1
1 307 . 1 1 1 A 25 25 ASP C C 103 179.476 178.992 0.484 1
1 308 . 1 1 1 A 25 25 ASP CA C 103 57.753 57.337 0.416 1
1 309 . 1 1 1 A 25 25 ASP CB C 103 40.432 40.566 -0.134 1
1 310 . 1 1 1 A 25 25 ASP N N 103 122.118 120.194 1.924 1
1 311 . 1 1 1 A 26 26 ILE H H 104 8.737 7.703 1.034 1
1 312 . 1 1 1 A 26 26 ILE HA H 104 3.761 3.656 0.105 1
1 320 . 1 1 1 A 26 26 ILE C C 104 180.320 177.969 2.351 1
1 321 . 1 1 1 A 26 26 ILE CA C 104 65.902 65.084 0.818 1
1 322 . 1 1 1 A 26 26 ILE CB C 104 38.826 38.003 0.823 1
1 325 . 1 1 1 A 26 26 ILE N N 104 122.668 120.747 1.921 1
1 326 . 1 1 1 A 27 27 VAL H H 105 7.923 7.778 0.145 1
1 327 . 1 1 1 A 27 27 VAL HA H 105 3.077 3.892 -0.815 1
1 335 . 1 1 1 A 27 27 VAL C C 105 176.073 177.038 -0.965 1
1 336 . 1 1 1 A 27 27 VAL CA C 105 67.080 64.735 2.345 1
1 337 . 1 1 1 A 27 27 VAL CB C 105 31.450 31.599 -0.149 1
1 340 . 1 1 1 A 27 27 VAL N N 105 121.194 116.741 4.453 1
1 341 . 1 1 1 A 28 28 ALA H H 106 7.892 7.185 0.707 1
1 342 . 1 1 1 A 28 28 ALA HA H 106 4.286 4.368 -0.082 1
1 346 . 1 1 1 A 28 28 ALA C C 106 178.366 177.712 0.654 1
1 347 . 1 1 1 A 28 28 ALA CA C 106 52.572 52.023 0.549 1
1 348 . 1 1 1 A 28 28 ALA CB C 106 19.616 19.694 -0.078 1
1 349 . 1 1 1 A 28 28 ALA N N 106 117.103 121.707 -4.604 1
1 350 . 1 1 1 A 29 29 GLY H H 107 7.670 8.062 -0.392 1
1 351 . 1 1 1 A 29 29 GLY HA2 H 107 4.181 3.925 0.256 1
1 352 . 1 1 1 A 29 29 GLY HA3 H 107 3.924 3.928 -0.004 1
1 353 . 1 1 1 A 29 29 GLY C C 107 174.596 174.937 -0.341 1
1 354 . 1 1 1 A 29 29 GLY CA C 107 45.157 46.605 -1.448 1
1 355 . 1 1 1 A 29 29 GLY N N 107 105.038 107.086 -2.048 1
1 356 . 1 1 1 A 30 30 ARG H H 108 7.972 8.274 -0.302 1
1 357 . 1 1 1 A 30 30 ARG HA H 108 4.185 4.249 -0.064 1
1 365 . 1 1 1 A 30 30 ARG C C 108 175.874 175.933 -0.059 1
1 366 . 1 1 1 A 30 30 ARG CA C 108 57.987 57.412 0.575 1
1 367 . 1 1 1 A 30 30 ARG CB C 108 31.218 31.099 0.119 1
1 370 . 1 1 1 A 30 30 ARG N N 108 118.333 121.418 -3.085 1
1 371 . 1 1 1 A 31 31 LEU H H 109 6.696 7.518 -0.822 1
1 372 . 1 1 1 A 31 31 LEU HA H 109 4.939 4.837 0.102 1
1 382 . 1 1 1 A 31 31 LEU C C 109 173.324 173.991 -0.667 1
1 383 . 1 1 1 A 31 31 LEU CA C 109 50.930 51.647 -0.717 1
1 384 . 1 1 1 A 31 31 LEU CB C 109 43.480 45.715 -2.235 1
1 388 . 1 1 1 A 31 31 LEU N N 109 118.681 119.178 -0.497 1
1 389 . 1 1 1 A 32 32 PRO HA H 110 4.411 4.759 -0.348 1
1 396 . 1 1 1 A 32 32 PRO C C 110 176.694 176.117 0.577 1
1 397 . 1 1 1 A 32 32 PRO CA C 110 63.123 62.830 0.293 1
1 398 . 1 1 1 A 32 32 PRO CB C 110 32.022 31.756 0.266 1
1 401 . 1 1 1 A 33 33 CYS H H 111 8.273 8.506 -0.233 1
1 402 . 1 1 1 A 33 33 CYS HA H 111 4.834 5.064 -0.230 1
1 405 . 1 1 1 A 33 33 CYS C C 111 173.523 173.284 0.239 1
1 406 . 1 1 1 A 33 33 CYS CA C 111 57.890 57.934 -0.044 1
1 407 . 1 1 1 A 33 33 CYS CB C 111 32.282 32.939 -0.657 1
1 408 . 1 1 1 A 33 33 CYS N N 111 119.113 122.904 -3.791 1
1 409 . 1 1 1 A 34 34 SER H H 112 8.738 8.890 -0.152 1
1 410 . 1 1 1 A 34 34 SER HA H 112 4.527 4.847 -0.320 1
1 413 . 1 1 1 A 34 34 SER C C 112 173.709 175.725 -2.016 1
1 414 . 1 1 1 A 34 34 SER CA C 112 57.256 57.258 -0.002 1
1 415 . 1 1 1 A 34 34 SER CB C 112 65.433 65.329 0.104 1
1 416 . 1 1 1 A 34 34 SER N N 112 118.212 118.082 0.130 1
1 417 . 1 1 1 A 35 35 PHE H H 113 9.027 9.351 -0.324 1
1 418 . 1 1 1 A 35 35 PHE HA H 113 4.047 4.074 -0.027 1
1 426 . 1 1 1 A 35 35 PHE C C 113 176.433 177.183 -0.750 1
1 427 . 1 1 1 A 35 35 PHE CA C 113 62.623 62.634 -0.011 1
1 428 . 1 1 1 A 35 35 PHE CB C 113 39.128 39.707 -0.579 1
1 434 . 1 1 1 A 35 35 PHE N N 113 122.209 124.267 -2.058 1
1 435 . 1 1 1 A 36 36 ALA H H 114 8.631 8.280 0.351 1
1 436 . 1 1 1 A 36 36 ALA HA H 114 3.926 4.084 -0.158 1
1 440 . 1 1 1 A 36 36 ALA C C 114 181.064 180.076 0.988 1
1 441 . 1 1 1 A 36 36 ALA CA C 114 55.300 55.346 -0.046 1
1 442 . 1 1 1 A 36 36 ALA CB C 114 18.423 18.633 -0.210 1
1 443 . 1 1 1 A 36 36 ALA N N 114 118.977 121.157 -2.180 1
1 444 . 1 1 1 A 37 37 THR H H 115 7.886 8.029 -0.143 1
1 445 . 1 1 1 A 37 37 THR HA H 115 3.859 3.980 -0.121 1
1 450 . 1 1 1 A 37 37 THR C C 115 175.630 176.622 -0.992 1
1 451 . 1 1 1 A 37 37 THR CA C 115 66.294 66.868 -0.574 1
1 452 . 1 1 1 A 37 37 THR CB C 115 68.298 67.807 0.491 1
1 454 . 1 1 1 A 37 37 THR N N 115 117.602 114.776 2.826 1
1 455 . 1 1 1 A 38 38 LEU H H 116 8.740 8.209 0.531 1
1 456 . 1 1 1 A 38 38 LEU HA H 116 3.904 3.926 -0.022 1
1 466 . 1 1 1 A 38 38 LEU C C 116 180.666 179.137 1.529 1
1 467 . 1 1 1 A 38 38 LEU CA C 116 58.166 57.891 0.275 1
1 468 . 1 1 1 A 38 38 LEU CB C 116 43.034 41.260 1.774 1
1 472 . 1 1 1 A 38 38 LEU N N 116 122.945 121.331 1.614 1
1 473 . 1 1 1 A 39 39 ALA H H 117 8.151 8.080 0.071 1
1 474 . 1 1 1 A 39 39 ALA HA H 117 3.776 3.887 -0.111 1
1 478 . 1 1 1 A 39 39 ALA C C 117 178.461 179.744 -1.283 1
1 479 . 1 1 1 A 39 39 ALA CA C 117 53.839 54.874 -1.035 1
1 480 . 1 1 1 A 39 39 ALA CB C 117 17.406 18.059 -0.653 1
1 481 . 1 1 1 A 39 39 ALA N N 117 120.752 121.574 -0.822 1
1 482 . 1 1 1 A 40 40 LEU H H 118 7.801 8.054 -0.253 1
1 483 . 1 1 1 A 40 40 LEU HA H 118 3.892 4.025 -0.133 1
1 492 . 1 1 1 A 40 40 LEU C C 118 180.428 178.551 1.877 1
1 493 . 1 1 1 A 40 40 LEU CA C 118 57.978 57.898 0.080 1
1 494 . 1 1 1 A 40 40 LEU CB C 118 42.699 41.919 0.780 1
1 497 . 1 1 1 A 40 40 LEU N N 118 119.699 120.182 -0.483 1
1 498 . 1 1 1 A 41 41 LEU H H 119 9.153 8.861 0.292 1
1 499 . 1 1 1 A 41 41 LEU HA H 119 4.181 4.414 -0.233 1
1 509 . 1 1 1 A 41 41 LEU C C 119 179.132 179.451 -0.319 1
1 510 . 1 1 1 A 41 41 LEU CA C 119 58.696 58.329 0.367 1
1 511 . 1 1 1 A 41 41 LEU CB C 119 39.102 41.903 -2.801 1
1 515 . 1 1 1 A 41 41 LEU N N 119 118.687 119.343 -0.656 1
1 516 . 1 1 1 A 42 42 GLY H H 120 8.253 8.114 0.139 1
1 517 . 1 1 1 A 42 42 GLY HA2 H 120 4.016 3.813 0.203 1
1 518 . 1 1 1 A 42 42 GLY HA3 H 120 3.610 3.830 -0.220 1
1 519 . 1 1 1 A 42 42 GLY C C 120 175.046 176.535 -1.489 1
1 520 . 1 1 1 A 42 42 GLY CA C 120 48.060 47.501 0.559 1
1 521 . 1 1 1 A 42 42 GLY N N 120 106.562 106.900 -0.338 1
1 522 . 1 1 1 A 43 43 SER H H 121 8.456 8.287 0.169 1
1 523 . 1 1 1 A 43 43 SER HA H 121 3.928 4.115 -0.187 1
1 526 . 1 1 1 A 43 43 SER C C 121 175.318 176.214 -0.896 1
1 527 . 1 1 1 A 43 43 SER CA C 121 62.651 62.932 -0.281 1
1 528 . 1 1 1 A 43 43 SER CB C 121 62.722 63.320 -0.598 1
1 529 . 1 1 1 A 43 43 SER N N 121 117.787 118.747 -0.960 1
1 530 . 1 1 1 A 44 44 TYR H H 122 7.311 7.579 -0.268 1
1 531 . 1 1 1 A 44 44 TYR HA H 122 4.635 4.260 0.375 1
1 538 . 1 1 1 A 44 44 TYR C C 122 178.731 178.177 0.554 1
1 539 . 1 1 1 A 44 44 TYR CA C 122 61.704 60.652 1.052 1
1 540 . 1 1 1 A 44 44 TYR CB C 122 38.809 37.998 0.811 1
1 545 . 1 1 1 A 44 44 TYR N N 122 123.923 120.484 3.439 1
1 546 . 1 1 1 A 45 45 THR H H 123 8.748 8.136 0.612 1
1 547 . 1 1 1 A 45 45 THR HA H 123 3.747 3.923 -0.176 1
1 552 . 1 1 1 A 45 45 THR C C 123 175.781 176.688 -0.907 1
1 553 . 1 1 1 A 45 45 THR CA C 123 67.015 67.177 -0.162 1
1 554 . 1 1 1 A 45 45 THR CB C 123 67.670 67.886 -0.216 1
1 556 . 1 1 1 A 45 45 THR N N 123 121.374 114.928 6.446 1
1 557 . 1 1 1 A 46 46 ILE H H 124 8.131 8.144 -0.013 1
1 558 . 1 1 1 A 46 46 ILE HA H 124 3.161 3.176 -0.015 1
1 568 . 1 1 1 A 46 46 ILE C C 124 177.130 177.943 -0.813 1
1 569 . 1 1 1 A 46 46 ILE CA C 124 62.478 65.573 -3.095 1
1 570 . 1 1 1 A 46 46 ILE CB C 124 35.268 37.807 -2.539 1
1 574 . 1 1 1 A 46 46 ILE N N 124 119.593 121.534 -1.941 1
1 575 . 1 1 1 A 47 47 GLN H H 125 7.871 8.009 -0.138 1
1 576 . 1 1 1 A 47 47 GLN HA H 125 4.110 3.732 0.378 1
1 583 . 1 1 1 A 47 47 GLN C C 125 178.150 177.929 0.221 1
1 584 . 1 1 1 A 47 47 GLN CA C 125 58.333 58.666 -0.333 1
1 585 . 1 1 1 A 47 47 GLN CB C 125 27.448 27.936 -0.488 1
1 587 . 1 1 1 A 47 47 GLN N N 125 121.155 120.092 1.063 1
1 589 . 1 1 1 A 48 48 SER H H 126 8.194 7.868 0.326 1
1 590 . 1 1 1 A 48 48 SER HA H 126 4.055 4.120 -0.065 1
1 593 . 1 1 1 A 48 48 SER C C 126 176.209 176.386 -0.177 1
1 594 . 1 1 1 A 48 48 SER CA C 126 60.823 61.132 -0.309 1
1 595 . 1 1 1 A 48 48 SER CB C 126 63.592 62.916 0.676 1
1 596 . 1 1 1 A 48 48 SER N N 126 111.964 114.531 -2.567 1
1 597 . 1 1 1 A 49 49 GLU H H 127 8.009 7.912 0.097 1
1 598 . 1 1 1 A 49 49 GLU HA H 127 4.296 4.172 0.124 1
1 603 . 1 1 1 A 49 49 GLU C C 127 178.319 178.057 0.262 1
1 604 . 1 1 1 A 49 49 GLU CA C 127 58.376 58.532 -0.156 1
1 605 . 1 1 1 A 49 49 GLU CB C 127 30.928 29.986 0.942 1
1 607 . 1 1 1 A 49 49 GLU N N 127 116.052 120.989 -4.937 1
1 608 . 1 1 1 A 50 50 LEU H H 128 8.916 8.504 0.412 1
1 609 . 1 1 1 A 50 50 LEU HA H 128 4.549 4.560 -0.011 1
1 619 . 1 1 1 A 50 50 LEU C C 128 178.447 177.323 1.124 1
1 620 . 1 1 1 A 50 50 LEU CA C 128 55.159 54.574 0.585 1
1 621 . 1 1 1 A 50 50 LEU CB C 128 43.500 43.006 0.494 1
1 625 . 1 1 1 A 50 50 LEU N N 128 117.044 116.662 0.382 1
1 626 . 1 1 1 A 51 51 GLY H H 129 7.710 8.040 -0.330 1
1 627 . 1 1 1 A 51 51 GLY HA2 H 129 4.261 4.173 0.088 1
1 628 . 1 1 1 A 51 51 GLY HA3 H 129 3.994 4.184 -0.190 1
1 629 . 1 1 1 A 51 51 GLY C C 129 172.406 173.444 -1.038 1
1 630 . 1 1 1 A 51 51 GLY CA C 129 44.162 44.775 -0.613 1
1 631 . 1 1 1 A 51 51 GLY N N 129 109.110 107.320 1.790 1
1 632 . 1 1 1 A 52 52 ASP H H 130 8.131 8.402 -0.271 1
1 633 . 1 1 1 A 52 52 ASP HA H 130 4.577 4.838 -0.261 1
1 636 . 1 1 1 A 52 52 ASP C C 130 176.862 175.222 1.640 1
1 637 . 1 1 1 A 52 52 ASP CA C 130 54.581 54.938 -0.357 1
1 638 . 1 1 1 A 52 52 ASP CB C 130 41.028 41.563 -0.535 1
1 639 . 1 1 1 A 52 52 ASP N N 130 118.844 121.761 -2.917 1
1 640 . 1 1 1 A 53 53 TYR H H 131 8.732 8.917 -0.185 1
1 641 . 1 1 1 A 53 53 TYR HA H 131 4.410 4.650 -0.240 1
1 648 . 1 1 1 A 53 53 TYR C C 131 174.929 174.278 0.651 1
1 649 . 1 1 1 A 53 53 TYR CA C 131 58.452 59.074 -0.622 1
1 650 . 1 1 1 A 53 53 TYR CB C 131 37.536 39.425 -1.889 1
1 655 . 1 1 1 A 53 53 TYR N N 131 121.518 125.206 -3.688 1
1 656 . 1 1 1 A 54 54 ASP H H 132 9.981 7.623 2.358 1
1 657 . 1 1 1 A 54 54 ASP HA H 132 4.652 5.325 -0.673 1
1 660 . 1 1 1 A 54 54 ASP CA C 132 49.843 50.959 -1.116 1
1 661 . 1 1 1 A 54 54 ASP CB C 132 42.737 41.347 1.390 1
1 662 . 1 1 1 A 54 54 ASP N N 132 132.995 126.662 6.333 1
1 663 . 1 1 1 A 55 55 PRO HA H 133 4.117 4.439 -0.322 1
1 670 . 1 1 1 A 55 55 PRO C C 133 178.353 177.810 0.543 1
1 671 . 1 1 1 A 55 55 PRO CA C 133 64.216 64.396 -0.180 1
1 672 . 1 1 1 A 55 55 PRO CB C 133 32.133 32.283 -0.150 1
1 675 . 1 1 1 A 56 56 GLU H H 134 7.968 8.976 -1.008 1
1 676 . 1 1 1 A 56 56 GLU HA H 134 4.047 3.953 0.094 1
1 681 . 1 1 1 A 56 56 GLU C C 134 177.001 177.959 -0.958 1
1 682 . 1 1 1 A 56 56 GLU CA C 134 57.984 58.676 -0.692 1
1 683 . 1 1 1 A 56 56 GLU CB C 134 29.667 28.366 1.301 1
1 685 . 1 1 1 A 56 56 GLU N N 134 116.491 116.026 0.465 1
1 686 . 1 1 1 A 57 57 LEU H H 135 7.137 7.645 -0.508 1
1 687 . 1 1 1 A 57 57 LEU HA H 135 4.186 4.327 -0.141 1
1 697 . 1 1 1 A 57 57 LEU C C 135 177.695 177.147 0.548 1
1 698 . 1 1 1 A 57 57 LEU CA C 135 55.372 55.237 0.135 1
1 699 . 1 1 1 A 57 57 LEU CB C 135 43.889 43.153 0.736 1
1 703 . 1 1 1 A 57 57 LEU N N 135 118.254 117.928 0.326 1
1 704 . 1 1 1 A 58 58 HIS H H 136 8.121 7.582 0.539 1
1 705 . 1 1 1 A 58 58 HIS HA H 136 4.560 4.536 0.024 1
1 709 . 1 1 1 A 58 58 HIS C C 136 176.135 174.600 1.535 1
1 710 . 1 1 1 A 58 58 HIS CA C 136 56.134 58.022 -1.888 1
1 711 . 1 1 1 A 58 58 HIS CB C 136 31.534 28.474 3.060 1
1 713 . 1 1 1 A 58 58 HIS N N 136 120.254 116.019 4.235 1
1 714 . 1 1 1 A 59 59 GLY H H 137 7.890 8.500 -0.610 1
1 715 . 1 1 1 A 59 59 GLY HA2 H 137 4.166 4.043 0.123 1
1 716 . 1 1 1 A 59 59 GLY HA3 H 137 3.990 4.178 -0.188 1
1 717 . 1 1 1 A 59 59 GLY C C 137 175.021 176.106 -1.085 1
1 718 . 1 1 1 A 59 59 GLY CA C 137 45.431 46.023 -0.592 1
1 719 . 1 1 1 A 59 59 GLY N N 137 108.183 108.596 -0.413 1
1 720 . 1 1 1 A 60 60 VAL H H 138 8.519 8.469 0.050 1
1 721 . 1 1 1 A 60 60 VAL HA H 138 4.503 3.816 0.687 1
1 729 . 1 1 1 A 60 60 VAL C C 138 176.419 175.614 0.805 1
1 730 . 1 1 1 A 60 60 VAL CA C 138 62.905 65.581 -2.676 1
1 731 . 1 1 1 A 60 60 VAL CB C 138 32.421 30.091 2.330 1
1 734 . 1 1 1 A 60 60 VAL N N 138 116.738 115.455 1.283 1
1 735 . 1 1 1 A 61 61 ASP H H 139 8.525 9.122 -0.597 1
1 736 . 1 1 1 A 61 61 ASP HA H 139 4.959 4.854 0.105 1
1 739 . 1 1 1 A 61 61 ASP C C 139 177.816 176.579 1.237 1
1 740 . 1 1 1 A 61 61 ASP CA C 139 54.278 53.729 0.549 1
1 741 . 1 1 1 A 61 61 ASP CB C 139 40.771 41.391 -0.620 1
1 742 . 1 1 1 A 61 61 ASP N N 139 120.408 119.785 0.623 1
1 743 . 1 1 1 A 62 62 TYR H H 140 7.553 8.061 -0.508 1
1 744 . 1 1 1 A 62 62 TYR HA H 140 4.611 4.418 0.193 1
1 751 . 1 1 1 A 62 62 TYR C C 140 176.791 177.932 -1.141 1
1 752 . 1 1 1 A 62 62 TYR CA C 140 59.811 59.947 -0.136 1
1 753 . 1 1 1 A 62 62 TYR CB C 140 37.453 37.508 -0.055 1
1 758 . 1 1 1 A 62 62 TYR N N 140 118.187 120.051 -1.864 1
1 759 . 1 1 1 A 63 63 VAL H H 141 7.645 7.846 -0.201 1
1 760 . 1 1 1 A 63 63 VAL HA H 141 3.861 3.754 0.107 1
1 768 . 1 1 1 A 63 63 VAL C C 141 176.409 178.410 -2.001 1
1 769 . 1 1 1 A 63 63 VAL CA C 141 63.504 66.305 -2.801 1
1 770 . 1 1 1 A 63 63 VAL CB C 141 31.598 31.239 0.359 1
1 773 . 1 1 1 A 63 63 VAL N N 141 118.945 121.971 -3.026 1
1 774 . 1 1 1 A 64 64 SER H H 142 7.611 8.201 -0.590 1
1 775 . 1 1 1 A 64 64 SER HA H 142 4.234 4.325 -0.091 1
1 778 . 1 1 1 A 64 64 SER C C 142 175.035 174.817 0.218 1
1 779 . 1 1 1 A 64 64 SER CA C 142 60.628 61.615 -0.987 1
1 780 . 1 1 1 A 64 64 SER CB C 142 63.183 63.111 0.072 1
1 781 . 1 1 1 A 64 64 SER N N 142 113.661 116.529 -2.868 1
1 782 . 1 1 1 A 65 65 ASP H H 143 7.440 7.744 -0.304 1
1 783 . 1 1 1 A 65 65 ASP HA H 143 4.568 4.478 0.090 1
1 786 . 1 1 1 A 65 65 ASP C C 143 175.376 175.430 -0.054 1
1 787 . 1 1 1 A 65 65 ASP CA C 143 55.077 55.142 -0.065 1
1 788 . 1 1 1 A 65 65 ASP CB C 143 40.913 41.642 -0.729 1
1 789 . 1 1 1 A 65 65 ASP N N 143 118.332 119.408 -1.076 1
1 790 . 1 1 1 A 66 66 PHE H H 144 8.115 7.779 0.336 1
1 791 . 1 1 1 A 66 66 PHE HA H 144 4.369 5.089 -0.720 1
1 798 . 1 1 1 A 66 66 PHE C C 144 174.524 175.158 -0.634 1
1 799 . 1 1 1 A 66 66 PHE CA C 144 57.705 56.433 1.272 1
1 800 . 1 1 1 A 66 66 PHE CB C 144 41.033 41.166 -0.133 1
1 805 . 1 1 1 A 66 66 PHE N N 144 120.277 116.856 3.421 1
1 806 . 1 1 1 A 67 67 LYS H H 145 8.688 8.885 -0.197 1
1 807 . 1 1 1 A 67 67 LYS HA H 145 4.671 4.445 0.226 1
1 816 . 1 1 1 A 67 67 LYS C C 145 175.437 176.441 -1.004 1
1 817 . 1 1 1 A 67 67 LYS CA C 145 55.418 56.295 -0.877 1
1 818 . 1 1 1 A 67 67 LYS CB C 145 31.784 32.071 -0.287 1
1 822 . 1 1 1 A 67 67 LYS N N 145 122.931 125.267 -2.336 1
1 823 . 1 1 1 A 68 68 LEU H H 146 9.642 9.003 0.639 1
1 824 . 1 1 1 A 68 68 LEU HA H 146 4.484 4.439 0.045 1
1 834 . 1 1 1 A 68 68 LEU C C 146 175.512 176.521 -1.009 1
1 835 . 1 1 1 A 68 68 LEU CA C 146 54.375 55.864 -1.489 1
1 836 . 1 1 1 A 68 68 LEU CB C 146 44.114 42.670 1.444 1
1 840 . 1 1 1 A 68 68 LEU N N 146 123.156 126.586 -3.430 1
1 841 . 1 1 1 A 69 69 ALA H H 147 7.586 7.523 0.063 1
1 842 . 1 1 1 A 69 69 ALA HA H 147 4.597 4.495 0.102 1
1 846 . 1 1 1 A 69 69 ALA C C 147 173.720 176.719 -2.999 1
1 847 . 1 1 1 A 69 69 ALA CA C 147 49.637 50.633 -0.996 1
1 848 . 1 1 1 A 69 69 ALA CB C 147 22.691 21.347 1.344 1
1 849 . 1 1 1 A 69 69 ALA N N 147 117.486 117.207 0.279 1
1 850 . 1 1 1 A 70 70 PRO HA H 148 4.578 4.392 0.186 1
1 857 . 1 1 1 A 70 70 PRO C C 148 176.996 176.768 0.228 1
1 858 . 1 1 1 A 70 70 PRO CA C 148 64.435 65.017 -0.582 1
1 859 . 1 1 1 A 70 70 PRO CB C 148 31.448 32.098 -0.650 1
1 862 . 1 1 1 A 71 71 ASN H H 149 8.221 8.333 -0.112 1
1 863 . 1 1 1 A 71 71 ASN HA H 149 4.783 4.904 -0.121 1
1 868 . 1 1 1 A 71 71 ASN C C 149 173.865 174.061 -0.196 1
1 869 . 1 1 1 A 71 71 ASN CA C 149 52.308 52.137 0.171 1
1 870 . 1 1 1 A 71 71 ASN CB C 149 38.065 37.164 0.901 1
1 871 . 1 1 1 A 71 71 ASN N N 149 116.940 116.548 0.392 1
1 873 . 1 1 1 A 72 72 GLN H H 150 8.467 8.849 -0.382 1
1 874 . 1 1 1 A 72 72 GLN HA H 150 3.962 4.754 -0.792 1
1 881 . 1 1 1 A 72 72 GLN C C 150 174.832 175.862 -1.030 1
1 882 . 1 1 1 A 72 72 GLN CA C 150 57.793 55.635 2.158 1
1 883 . 1 1 1 A 72 72 GLN CB C 150 29.029 29.492 -0.463 1
1 885 . 1 1 1 A 72 72 GLN N N 150 123.793 123.579 0.214 1
1 887 . 1 1 1 A 73 73 THR H H 151 7.040 8.614 -1.574 1
1 888 . 1 1 1 A 73 73 THR HA H 151 4.668 4.959 -0.291 1
1 893 . 1 1 1 A 73 73 THR C C 151 175.175 175.313 -0.138 1
1 894 . 1 1 1 A 73 73 THR CA C 151 59.504 59.407 0.097 1
1 895 . 1 1 1 A 73 73 THR CB C 151 72.544 71.912 0.632 1
1 897 . 1 1 1 A 73 73 THR N N 151 115.239 117.693 -2.454 1
1 898 . 1 1 1 A 74 74 LYS H H 152 8.949 9.003 -0.054 1
1 899 . 1 1 1 A 74 74 LYS HA H 152 4.109 4.123 -0.014 1
1 908 . 1 1 1 A 74 74 LYS C C 152 178.758 177.923 0.835 1
1 909 . 1 1 1 A 74 74 LYS CA C 152 58.521 60.303 -1.782 1
1 910 . 1 1 1 A 74 74 LYS CB C 152 31.372 32.064 -0.692 1
1 914 . 1 1 1 A 74 74 LYS N N 152 122.065 122.277 -0.212 1
1 915 . 1 1 1 A 75 75 GLU H H 153 8.762 7.926 0.836 1
1 916 . 1 1 1 A 75 75 GLU HA H 153 4.098 4.160 -0.062 1
1 921 . 1 1 1 A 75 75 GLU C C 153 179.947 179.104 0.843 1
1 922 . 1 1 1 A 75 75 GLU CA C 153 60.405 59.064 1.341 1
1 923 . 1 1 1 A 75 75 GLU CB C 153 28.999 29.447 -0.448 1
1 925 . 1 1 1 A 75 75 GLU N N 153 118.335 119.580 -1.245 1
1 926 . 1 1 1 A 76 76 LEU H H 154 7.726 7.775 -0.049 1
1 927 . 1 1 1 A 76 76 LEU HA H 154 4.061 3.846 0.215 1
1 937 . 1 1 1 A 76 76 LEU C C 154 178.292 178.719 -0.427 1
1 938 . 1 1 1 A 76 76 LEU CA C 154 58.188 57.831 0.357 1
1 939 . 1 1 1 A 76 76 LEU CB C 154 41.061 41.516 -0.455 1
1 943 . 1 1 1 A 76 76 LEU N N 154 121.434 121.956 -0.522 1
1 944 . 1 1 1 A 77 77 GLU H H 155 8.044 8.660 -0.616 1
1 945 . 1 1 1 A 77 77 GLU HA H 155 3.394 3.900 -0.506 1
1 950 . 1 1 1 A 77 77 GLU C C 155 178.363 179.533 -1.170 1
1 951 . 1 1 1 A 77 77 GLU CA C 155 60.409 59.867 0.542 1
1 952 . 1 1 1 A 77 77 GLU CB C 155 28.697 29.186 -0.489 1
1 954 . 1 1 1 A 77 77 GLU N N 155 118.172 118.717 -0.545 1
1 955 . 1 1 1 A 78 78 GLU H H 156 8.657 8.789 -0.132 1
1 956 . 1 1 1 A 78 78 GLU HA H 156 3.945 3.989 -0.044 1
1 961 . 1 1 1 A 78 78 GLU C C 156 179.197 178.937 0.260 1
1 962 . 1 1 1 A 78 78 GLU CA C 156 59.869 59.380 0.489 1
1 963 . 1 1 1 A 78 78 GLU CB C 156 29.466 29.199 0.267 1
1 965 . 1 1 1 A 78 78 GLU N N 156 117.944 120.277 -2.333 1
1 966 . 1 1 1 A 79 79 LYS H H 157 7.564 7.854 -0.290 1
1 967 . 1 1 1 A 79 79 LYS HA H 157 4.245 4.191 0.054 1
1 976 . 1 1 1 A 79 79 LYS C C 157 178.328 178.854 -0.526 1
1 977 . 1 1 1 A 79 79 LYS CA C 157 57.557 58.654 -1.097 1
1 978 . 1 1 1 A 79 79 LYS CB C 157 30.969 32.270 -1.301 1
1 982 . 1 1 1 A 79 79 LYS N N 157 121.118 121.085 0.033 1
1 983 . 1 1 1 A 80 80 VAL H H 158 8.412 7.726 0.686 1
1 984 . 1 1 1 A 80 80 VAL HA H 158 3.314 3.896 -0.582 1
1 992 . 1 1 1 A 80 80 VAL C C 158 177.623 178.124 -0.501 1
1 993 . 1 1 1 A 80 80 VAL CA C 158 67.250 66.391 0.859 1
1 994 . 1 1 1 A 80 80 VAL CB C 158 30.867 31.737 -0.870 1
1 997 . 1 1 1 A 80 80 VAL N N 158 119.270 119.614 -0.344 1
1 998 . 1 1 1 A 81 81 MET H H 159 8.212 8.051 0.161 1
1 999 . 1 1 1 A 81 81 MET HA H 159 4.039 4.450 -0.411 1
1 1007 . 1 1 1 A 81 81 MET C C 159 177.305 178.707 -1.402 1
1 1008 . 1 1 1 A 81 81 MET CA C 159 59.998 59.210 0.788 1
1 1009 . 1 1 1 A 81 81 MET CB C 159 33.605 32.951 0.654 1
1 1012 . 1 1 1 A 81 81 MET N N 159 117.924 117.706 0.218 1
1 1013 . 1 1 1 A 82 82 GLU H H 160 7.780 8.388 -0.608 1
1 1014 . 1 1 1 A 82 82 GLU HA H 160 3.768 4.017 -0.249 1
1 1019 . 1 1 1 A 82 82 GLU C C 160 179.468 179.098 0.370 1
1 1020 . 1 1 1 A 82 82 GLU CA C 160 59.555 59.271 0.284 1
1 1021 . 1 1 1 A 82 82 GLU CB C 160 29.831 29.211 0.620 1
1 1023 . 1 1 1 A 82 82 GLU N N 160 119.282 119.303 -0.021 1
1 1024 . 1 1 1 A 83 83 LEU H H 161 7.748 8.158 -0.410 1
1 1025 . 1 1 1 A 83 83 LEU HA H 161 3.756 3.672 0.084 1
1 1035 . 1 1 1 A 83 83 LEU C C 161 179.113 178.730 0.383 1
1 1036 . 1 1 1 A 83 83 LEU CA C 161 57.246 57.560 -0.314 1
1 1037 . 1 1 1 A 83 83 LEU CB C 161 41.824 41.511 0.313 1
1 1041 . 1 1 1 A 83 83 LEU N N 161 118.542 119.489 -0.947 1
1 1042 . 1 1 1 A 84 84 HIS H H 162 8.842 8.121 0.721 1
1 1043 . 1 1 1 A 84 84 HIS HA H 162 3.986 4.244 -0.258 1
1 1047 . 1 1 1 A 84 84 HIS C C 162 178.286 177.456 0.830 1
1 1048 . 1 1 1 A 84 84 HIS CA C 162 58.407 60.220 -1.813 1
1 1049 . 1 1 1 A 84 84 HIS CB C 162 32.405 29.872 2.533 1
1 1051 . 1 1 1 A 84 84 HIS N N 162 120.325 118.189 2.136 1
1 1052 . 1 1 1 A 85 85 LYS H H 163 7.951 7.990 -0.039 1
1 1053 . 1 1 1 A 85 85 LYS HA H 163 3.383 4.065 -0.682 1
1 1062 . 1 1 1 A 85 85 LYS C C 163 177.303 179.752 -2.449 1
1 1063 . 1 1 1 A 85 85 LYS CA C 163 59.730 59.228 0.502 1
1 1064 . 1 1 1 A 85 85 LYS CB C 163 32.489 31.566 0.923 1
1 1068 . 1 1 1 A 85 85 LYS N N 163 116.598 118.383 -1.785 1
1 1069 . 1 1 1 A 86 86 SER H H 164 7.334 8.072 -0.738 1
1 1070 . 1 1 1 A 86 86 SER HA H 164 4.442 4.171 0.271 1
1 1073 . 1 1 1 A 86 86 SER C C 164 175.296 174.323 0.973 1
1 1074 . 1 1 1 A 86 86 SER CA C 164 59.708 60.659 -0.951 1
1 1075 . 1 1 1 A 86 86 SER CB C 164 64.669 62.888 1.781 1
1 1076 . 1 1 1 A 86 86 SER N N 164 113.922 113.863 0.059 1
1 1077 . 1 1 1 A 87 87 TYR H H 165 7.321 7.319 0.002 1
1 1078 . 1 1 1 A 87 87 TYR HA H 165 5.037 4.654 0.383 1
1 1085 . 1 1 1 A 87 87 TYR C C 165 175.143 175.486 -0.343 1
1 1086 . 1 1 1 A 87 87 TYR CA C 165 54.570 58.699 -4.129 1
1 1087 . 1 1 1 A 87 87 TYR CB C 165 36.575 38.742 -2.167 1
1 1092 . 1 1 1 A 87 87 TYR N N 165 123.163 120.051 3.112 1
1 1093 . 1 1 1 A 88 88 ARG H H 166 7.263 8.699 -1.436 1
1 1094 . 1 1 1 A 88 88 ARG HA H 166 4.264 4.547 -0.283 1
1 1102 . 1 1 1 A 88 88 ARG C C 166 177.455 176.819 0.636 1
1 1103 . 1 1 1 A 88 88 ARG CA C 166 58.086 55.741 2.345 1
1 1104 . 1 1 1 A 88 88 ARG CB C 166 30.702 31.549 -0.847 1
1 1107 . 1 1 1 A 88 88 ARG N N 166 119.334 124.367 -5.033 1
1 1108 . 1 1 1 A 89 89 SER H H 167 10.206 8.727 1.479 1
1 1109 . 1 1 1 A 89 89 SER HA H 167 4.265 4.529 -0.264 1
1 1112 . 1 1 1 A 89 89 SER C C 167 174.371 173.752 0.619 1
1 1113 . 1 1 1 A 89 89 SER CA C 167 60.818 58.165 2.653 1
1 1114 . 1 1 1 A 89 89 SER CB C 167 62.576 61.442 1.134 1
1 1115 . 1 1 1 A 89 89 SER N N 167 121.486 116.935 4.551 1
1 1116 . 1 1 1 A 90 90 MET H H 168 8.409 9.385 -0.976 1
1 1117 . 1 1 1 A 90 90 MET HA H 168 4.531 4.825 -0.294 1
1 1125 . 1 1 1 A 90 90 MET C C 168 177.396 175.808 1.588 1
1 1126 . 1 1 1 A 90 90 MET CA C 168 56.283 54.591 1.692 1
1 1127 . 1 1 1 A 90 90 MET CB C 168 35.048 34.134 0.914 1
1 1130 . 1 1 1 A 90 90 MET N N 168 124.849 124.128 0.721 1
1 1131 . 1 1 1 A 91 91 THR H H 169 8.981 9.424 -0.443 1
1 1132 . 1 1 1 A 91 91 THR HA H 169 4.589 5.047 -0.458 1
1 1137 . 1 1 1 A 91 91 THR C C 169 173.532 174.697 -1.165 1
1 1138 . 1 1 1 A 91 91 THR CA C 169 61.052 59.554 1.498 1
1 1139 . 1 1 1 A 91 91 THR CB C 169 68.249 69.253 -1.004 1
1 1141 . 1 1 1 A 91 91 THR N N 169 122.910 113.796 9.114 1
1 1142 . 1 1 1 A 92 92 PRO HA H 170 4.151 4.221 -0.070 1
1 1147 . 1 1 1 A 92 92 PRO C C 170 177.481 178.279 -0.798 1
1 1148 . 1 1 1 A 92 92 PRO CA C 170 66.599 65.980 0.619 1
1 1149 . 1 1 1 A 92 92 PRO CB C 170 31.740 31.441 0.299 1
1 1151 . 1 1 1 A 93 93 ALA H H 171 7.833 8.363 -0.530 1
1 1152 . 1 1 1 A 93 93 ALA HA H 171 4.135 3.950 0.185 1
1 1156 . 1 1 1 A 93 93 ALA C C 171 180.982 180.505 0.477 1
1 1157 . 1 1 1 A 93 93 ALA CA C 171 54.982 55.410 -0.428 1
1 1158 . 1 1 1 A 93 93 ALA CB C 171 18.373 18.492 -0.119 1
1 1159 . 1 1 1 A 93 93 ALA N N 171 115.945 118.161 -2.216 1
1 1160 . 1 1 1 A 94 94 GLN H H 172 7.868 8.108 -0.240 1
1 1161 . 1 1 1 A 94 94 GLN HA H 172 3.911 3.977 -0.066 1
1 1168 . 1 1 1 A 94 94 GLN C C 172 178.279 178.298 -0.019 1
1 1169 . 1 1 1 A 94 94 GLN CA C 172 58.547 58.700 -0.153 1
1 1170 . 1 1 1 A 94 94 GLN CB C 172 28.318 28.358 -0.040 1
1 1172 . 1 1 1 A 94 94 GLN N N 172 118.910 118.319 0.591 1
1 1174 . 1 1 1 A 95 95 ALA H H 173 8.459 7.759 0.700 1
1 1175 . 1 1 1 A 95 95 ALA HA H 173 4.066 3.888 0.178 1
1 1179 . 1 1 1 A 95 95 ALA C C 173 179.362 179.745 -0.383 1
1 1180 . 1 1 1 A 95 95 ALA CA C 173 55.413 55.354 0.059 1
1 1181 . 1 1 1 A 95 95 ALA CB C 173 17.730 18.269 -0.539 1
1 1182 . 1 1 1 A 95 95 ALA N N 173 123.672 122.614 1.058 1
1 1183 . 1 1 1 A 96 96 ASP H H 174 8.541 8.131 0.410 1
1 1184 . 1 1 1 A 96 96 ASP HA H 174 4.317 4.387 -0.070 1
1 1187 . 1 1 1 A 96 96 ASP C C 174 178.340 178.525 -0.185 1
1 1188 . 1 1 1 A 96 96 ASP CA C 174 57.230 57.475 -0.245 1
1 1189 . 1 1 1 A 96 96 ASP CB C 174 40.024 40.421 -0.397 1
1 1190 . 1 1 1 A 96 96 ASP N N 174 119.397 119.827 -0.430 1
1 1191 . 1 1 1 A 97 97 LEU H H 175 7.798 8.074 -0.276 1
1 1192 . 1 1 1 A 97 97 LEU HA H 175 3.968 4.117 -0.149 1
1 1202 . 1 1 1 A 97 97 LEU C C 175 179.822 178.540 1.282 1
1 1203 . 1 1 1 A 97 97 LEU CA C 175 58.737 57.234 1.503 1
1 1204 . 1 1 1 A 97 97 LEU CB C 175 41.661 41.440 0.221 1
1 1208 . 1 1 1 A 97 97 LEU N N 175 120.724 120.262 0.462 1
1 1209 . 1 1 1 A 98 98 GLU H H 176 8.172 8.194 -0.022 1
1 1210 . 1 1 1 A 98 98 GLU HA H 176 3.885 3.641 0.244 1
1 1215 . 1 1 1 A 98 98 GLU C C 176 180.447 178.860 1.587 1
1 1216 . 1 1 1 A 98 98 GLU CA C 176 58.870 59.382 -0.512 1
1 1217 . 1 1 1 A 98 98 GLU CB C 176 27.413 28.417 -1.004 1
1 1219 . 1 1 1 A 98 98 GLU N N 176 119.724 119.305 0.419 1
1 1220 . 1 1 1 A 99 99 PHE H H 177 8.542 7.729 0.813 1
1 1221 . 1 1 1 A 99 99 PHE HA H 177 3.819 4.123 -0.304 1
1 1229 . 1 1 1 A 99 99 PHE C C 177 176.805 177.020 -0.215 1
1 1230 . 1 1 1 A 99 99 PHE CA C 177 62.277 61.352 0.925 1
1 1231 . 1 1 1 A 99 99 PHE CB C 177 38.948 39.010 -0.062 1
1 1237 . 1 1 1 A 99 99 PHE N N 177 123.837 121.427 2.410 1
1 1238 . 1 1 1 A 100 100 LEU H H 178 8.532 8.449 0.083 1
1 1239 . 1 1 1 A 100 100 LEU HA H 178 4.028 3.923 0.105 1
1 1249 . 1 1 1 A 100 100 LEU C C 178 179.884 179.457 0.427 1
1 1250 . 1 1 1 A 100 100 LEU CA C 178 58.046 57.994 0.052 1
1 1251 . 1 1 1 A 100 100 LEU CB C 178 41.419 41.441 -0.022 1
1 1255 . 1 1 1 A 100 100 LEU N N 178 119.496 119.155 0.341 1
1 1256 . 1 1 1 A 101 101 GLU H H 179 8.769 8.576 0.193 1
1 1257 . 1 1 1 A 101 101 GLU HA H 179 4.043 3.975 0.068 1
1 1262 . 1 1 1 A 101 101 GLU C C 179 179.881 178.890 0.991 1
1 1263 . 1 1 1 A 101 101 GLU CA C 179 59.465 59.242 0.223 1
1 1264 . 1 1 1 A 101 101 GLU CB C 179 29.478 29.194 0.284 1
1 1266 . 1 1 1 A 101 101 GLU N N 179 120.825 119.764 1.061 1
1 1267 . 1 1 1 A 102 102 ASN H H 180 7.865 7.742 0.123 1
1 1268 . 1 1 1 A 102 102 ASN HA H 180 4.329 4.393 -0.064 1
1 1273 . 1 1 1 A 102 102 ASN C C 180 176.692 177.465 -0.773 1
1 1274 . 1 1 1 A 102 102 ASN CA C 180 57.537 55.785 1.752 1
1 1275 . 1 1 1 A 102 102 ASN CB C 180 40.085 38.276 1.809 1
1 1276 . 1 1 1 A 102 102 ASN N N 180 116.591 117.464 -0.873 1
1 1278 . 1 1 1 A 103 103 ALA H H 181 8.744 8.354 0.390 1
1 1279 . 1 1 1 A 103 103 ALA HA H 181 4.130 3.916 0.214 1
1 1283 . 1 1 1 A 103 103 ALA C C 181 179.546 179.647 -0.101 1
1 1284 . 1 1 1 A 103 103 ALA CA C 181 55.148 54.929 0.219 1
1 1285 . 1 1 1 A 103 103 ALA CB C 181 18.154 18.241 -0.087 1
1 1286 . 1 1 1 A 103 103 ALA N N 181 122.431 122.242 0.189 1
1 1287 . 1 1 1 A 104 104 LYS H H 182 8.493 7.916 0.577 1
1 1288 . 1 1 1 A 104 104 LYS HA H 182 3.786 3.965 -0.179 1
1 1297 . 1 1 1 A 104 104 LYS C C 182 180.012 178.838 1.174 1
1 1298 . 1 1 1 A 104 104 LYS CA C 182 58.547 59.171 -0.624 1
1 1299 . 1 1 1 A 104 104 LYS CB C 182 31.194 32.120 -0.926 1
1 1303 . 1 1 1 A 104 104 LYS N N 182 119.195 117.711 1.484 1
1 1304 . 1 1 1 A 105 105 LYS H H 183 7.661 7.682 -0.021 1
1 1305 . 1 1 1 A 105 105 LYS HA H 183 4.111 4.123 -0.012 1
1 1314 . 1 1 1 A 105 105 LYS C C 183 178.010 177.709 0.301 1
1 1315 . 1 1 1 A 105 105 LYS CA C 183 58.823 58.307 0.516 1
1 1316 . 1 1 1 A 105 105 LYS CB C 183 32.287 32.520 -0.233 1
1 1320 . 1 1 1 A 105 105 LYS N N 183 120.301 118.256 2.045 1
1 1321 . 1 1 1 A 106 106 LEU H H 184 7.403 7.296 0.107 1
1 1322 . 1 1 1 A 106 106 LEU HA H 184 4.385 4.331 0.054 1
1 1331 . 1 1 1 A 106 106 LEU C C 184 176.332 176.043 0.289 1
1 1332 . 1 1 1 A 106 106 LEU CA C 184 54.857 54.833 0.024 1
1 1333 . 1 1 1 A 106 106 LEU CB C 184 42.054 42.418 -0.364 1
1 1336 . 1 1 1 A 106 106 LEU N N 184 118.606 118.514 0.092 1
1 1337 . 1 1 1 A 107 107 SER H H 185 8.123 7.715 0.408 1
1 1338 . 1 1 1 A 107 107 SER HA H 185 4.202 4.161 0.041 1
1 1341 . 1 1 1 A 107 107 SER C C 185 174.826 174.114 0.712 1
1 1342 . 1 1 1 A 107 107 SER CA C 185 58.894 59.213 -0.319 1
1 1343 . 1 1 1 A 107 107 SER CB C 185 61.684 61.077 0.607 1
1 1344 . 1 1 1 A 107 107 SER N N 185 113.023 112.835 0.188 1
1 1345 . 1 1 1 A 108 108 MET H H 186 8.212 7.781 0.431 1
1 1346 . 1 1 1 A 108 108 MET HA H 186 4.188 4.236 -0.048 1
1 1354 . 1 1 1 A 108 108 MET C C 186 174.495 176.762 -2.267 1
1 1355 . 1 1 1 A 108 108 MET CA C 186 57.328 58.085 -0.757 1
1 1356 . 1 1 1 A 108 108 MET CB C 186 33.414 33.128 0.286 1
1 1359 . 1 1 1 A 108 108 MET N N 186 117.267 117.665 -0.398 1
1 4 . 2 1 1 A 2 2 SER HA H 80 4.477 4.585 -0.108 1
1 7 . 2 1 1 A 2 2 SER CA C 80 58.344 59.859 -1.515 1
1 8 . 2 1 1 A 2 2 SER CB C 80 64.002 64.843 -0.841 1
1 9 . 2 1 1 A 3 3 HIS HA H 81 4.614 4.642 -0.028 1
1 13 . 2 1 1 A 3 3 HIS C C 81 174.681 174.048 0.633 1
1 14 . 2 1 1 A 3 3 HIS CA C 81 56.231 55.546 0.685 1
1 15 . 2 1 1 A 3 3 HIS CB C 81 29.839 29.637 0.202 1
1 17 . 2 1 1 A 4 4 MET H H 82 8.285 7.409 0.876 1
1 18 . 2 1 1 A 4 4 MET HA H 82 4.416 4.803 -0.387 1
1 26 . 2 1 1 A 4 4 MET C C 82 175.286 174.658 0.628 1
1 27 . 2 1 1 A 4 4 MET CA C 82 55.165 53.986 1.179 1
1 28 . 2 1 1 A 4 4 MET CB C 82 32.988 35.490 -2.502 1
1 31 . 2 1 1 A 4 4 MET N N 82 121.559 120.255 1.304 1
1 32 . 2 1 1 A 5 5 ASP H H 83 8.362 8.362 0.000 1
1 33 . 2 1 1 A 5 5 ASP HA H 83 4.844 4.660 0.184 1
1 36 . 2 1 1 A 5 5 ASP C C 83 175.239 176.138 -0.899 1
1 37 . 2 1 1 A 5 5 ASP CA C 83 52.238 51.883 0.355 1
1 38 . 2 1 1 A 5 5 ASP CB C 83 41.471 41.721 -0.250 1
1 39 . 2 1 1 A 5 5 ASP N N 83 124.060 126.683 -2.623 1
1 40 . 2 1 1 A 6 6 PRO HA H 84 4.327 4.486 -0.159 1
1 47 . 2 1 1 A 6 6 PRO C C 84 177.388 177.451 -0.063 1
1 48 . 2 1 1 A 6 6 PRO CA C 84 64.084 64.053 0.031 1
1 49 . 2 1 1 A 6 6 PRO CB C 84 32.022 31.985 0.037 1
1 52 . 2 1 1 A 7 7 ALA H H 85 8.406 8.301 0.105 1
1 53 . 2 1 1 A 7 7 ALA HA H 85 4.239 4.131 0.108 1
1 57 . 2 1 1 A 7 7 ALA C C 85 178.462 178.730 -0.268 1
1 58 . 2 1 1 A 7 7 ALA CA C 85 53.223 54.323 -1.100 1
1 59 . 2 1 1 A 7 7 ALA CB C 85 18.801 18.364 0.437 1
1 60 . 2 1 1 A 7 7 ALA N N 85 121.868 120.652 1.216 1
1 61 . 2 1 1 A 8 8 GLN H H 86 7.985 7.843 0.142 1
1 62 . 2 1 1 A 8 8 GLN HA H 86 4.264 4.151 0.113 1
1 69 . 2 1 1 A 8 8 GLN C C 86 176.124 177.331 -1.207 1
1 70 . 2 1 1 A 8 8 GLN CA C 86 56.101 56.420 -0.319 1
1 71 . 2 1 1 A 8 8 GLN CB C 86 29.456 28.272 1.184 1
1 73 . 2 1 1 A 8 8 GLN N N 86 117.727 115.076 2.651 1
1 75 . 2 1 1 A 9 9 LEU H H 87 8.102 7.784 0.318 1
1 76 . 2 1 1 A 9 9 LEU HA H 87 4.394 3.945 0.449 1
1 86 . 2 1 1 A 9 9 LEU C C 87 177.923 179.217 -1.294 1
1 87 . 2 1 1 A 9 9 LEU CA C 87 55.454 57.966 -2.512 1
1 88 . 2 1 1 A 9 9 LEU CB C 87 42.188 42.199 -0.011 1
1 92 . 2 1 1 A 9 9 LEU N N 87 122.045 121.211 0.834 1
1 93 . 2 1 1 A 10 10 THR H H 88 7.902 8.091 -0.189 1
1 94 . 2 1 1 A 10 10 THR HA H 88 4.258 3.977 0.281 1
1 99 . 2 1 1 A 10 10 THR C C 88 175.742 177.005 -1.263 1
1 100 . 2 1 1 A 10 10 THR CA C 88 62.974 66.042 -3.068 1
1 101 . 2 1 1 A 10 10 THR CB C 88 69.759 68.293 1.466 1
1 103 . 2 1 1 A 10 10 THR N N 88 113.859 110.473 3.386 1
1 104 . 2 1 1 A 11 11 GLU H H 89 8.594 8.570 0.024 1
1 105 . 2 1 1 A 11 11 GLU HA H 89 4.213 3.977 0.236 1
1 110 . 2 1 1 A 11 11 GLU C C 89 177.577 178.979 -1.402 1
1 111 . 2 1 1 A 11 11 GLU CA C 89 58.496 60.298 -1.802 1
1 112 . 2 1 1 A 11 11 GLU CB C 89 29.751 29.064 0.687 1
1 114 . 2 1 1 A 11 11 GLU N N 89 122.144 122.100 0.044 1
1 115 . 2 1 1 A 12 12 ASP H H 90 8.244 7.875 0.369 1
1 116 . 2 1 1 A 12 12 ASP HA H 90 4.419 4.430 -0.011 1
1 119 . 2 1 1 A 12 12 ASP C C 90 178.623 178.525 0.098 1
1 120 . 2 1 1 A 12 12 ASP CA C 90 56.589 57.512 -0.923 1
1 121 . 2 1 1 A 12 12 ASP CB C 90 40.332 40.955 -0.623 1
1 122 . 2 1 1 A 12 12 ASP N N 90 119.922 119.775 0.147 1
1 123 . 2 1 1 A 13 13 ILE H H 91 8.092 7.713 0.379 1
1 124 . 2 1 1 A 13 13 ILE HA H 91 3.987 3.727 0.260 1
1 134 . 2 1 1 A 13 13 ILE C C 91 177.124 178.269 -1.145 1
1 135 . 2 1 1 A 13 13 ILE CA C 91 63.562 65.287 -1.725 1
1 136 . 2 1 1 A 13 13 ILE CB C 91 37.830 37.399 0.431 1
1 140 . 2 1 1 A 13 13 ILE N N 91 122.909 119.090 3.819 1
1 141 . 2 1 1 A 14 14 THR H H 92 8.045 8.384 -0.339 1
1 142 . 2 1 1 A 14 14 THR HA H 92 4.040 3.869 0.171 1
1 147 . 2 1 1 A 14 14 THR C C 92 177.358 177.014 0.344 1
1 148 . 2 1 1 A 14 14 THR CA C 92 66.244 65.506 0.738 1
1 149 . 2 1 1 A 14 14 THR CB C 92 68.629 69.005 -0.376 1
1 151 . 2 1 1 A 14 14 THR N N 92 116.529 114.495 2.034 1
1 152 . 2 1 1 A 15 15 ARG H H 93 7.984 8.079 -0.095 1
1 153 . 2 1 1 A 15 15 ARG HA H 93 3.974 3.897 0.077 1
1 161 . 2 1 1 A 15 15 ARG C C 93 177.719 178.214 -0.495 1
1 162 . 2 1 1 A 15 15 ARG CA C 93 60.312 59.920 0.392 1
1 163 . 2 1 1 A 15 15 ARG CB C 93 30.591 29.896 0.695 1
1 166 . 2 1 1 A 15 15 ARG N N 93 121.521 120.444 1.077 1
1 167 . 2 1 1 A 16 16 TYR H H 94 7.948 7.966 -0.018 1
1 168 . 2 1 1 A 16 16 TYR HA H 94 4.045 4.298 -0.253 1
1 175 . 2 1 1 A 16 16 TYR C C 94 177.690 177.294 0.396 1
1 176 . 2 1 1 A 16 16 TYR CA C 94 61.568 61.367 0.201 1
1 177 . 2 1 1 A 16 16 TYR CB C 94 37.543 38.480 -0.937 1
1 182 . 2 1 1 A 16 16 TYR N N 94 120.911 120.500 0.411 1
1 183 . 2 1 1 A 17 17 TYR H H 95 8.143 8.224 -0.081 1
1 184 . 2 1 1 A 17 17 TYR HA H 95 4.049 4.105 -0.056 1
1 191 . 2 1 1 A 17 17 TYR C C 95 179.000 178.380 0.620 1
1 192 . 2 1 1 A 17 17 TYR CA C 95 61.454 61.261 0.193 1
1 193 . 2 1 1 A 17 17 TYR CB C 95 37.483 37.475 0.008 1
1 198 . 2 1 1 A 17 17 TYR N N 95 117.066 117.889 -0.823 1
1 199 . 2 1 1 A 18 18 LEU H H 96 7.976 8.497 -0.521 1
1 200 . 2 1 1 A 18 18 LEU HA H 96 4.203 4.034 0.169 1
1 210 . 2 1 1 A 18 18 LEU C C 96 178.998 178.309 0.689 1
1 211 . 2 1 1 A 18 18 LEU CA C 96 58.097 57.835 0.262 1
1 212 . 2 1 1 A 18 18 LEU CB C 96 41.814 41.786 0.028 1
1 216 . 2 1 1 A 18 18 LEU N N 96 123.012 121.303 1.709 1
1 217 . 2 1 1 A 19 19 CYS H H 97 8.163 8.547 -0.384 1
1 218 . 2 1 1 A 19 19 CYS HA H 97 3.783 3.993 -0.210 1
1 221 . 2 1 1 A 19 19 CYS C C 97 176.663 177.156 -0.493 1
1 222 . 2 1 1 A 19 19 CYS CA C 97 64.973 63.392 1.581 1
1 223 . 2 1 1 A 19 19 CYS CB C 97 25.966 27.097 -1.131 1
1 224 . 2 1 1 A 19 19 CYS N N 97 117.202 117.177 0.025 1
1 225 . 2 1 1 A 20 20 LEU H H 98 7.863 8.014 -0.151 1
1 226 . 2 1 1 A 20 20 LEU HA H 98 3.681 3.714 -0.033 1
1 236 . 2 1 1 A 20 20 LEU C C 98 179.392 179.175 0.217 1
1 237 . 2 1 1 A 20 20 LEU CA C 98 58.319 58.069 0.250 1
1 238 . 2 1 1 A 20 20 LEU CB C 98 41.944 41.428 0.516 1
1 242 . 2 1 1 A 20 20 LEU N N 98 118.833 120.181 -1.348 1
1 243 . 2 1 1 A 21 21 GLN H H 99 7.658 7.783 -0.125 1
1 244 . 2 1 1 A 21 21 GLN HA H 99 3.909 4.094 -0.185 1
1 251 . 2 1 1 A 21 21 GLN C C 99 178.326 178.835 -0.509 1
1 252 . 2 1 1 A 21 21 GLN CA C 99 58.704 58.410 0.294 1
1 253 . 2 1 1 A 21 21 GLN CB C 99 28.630 28.237 0.393 1
1 255 . 2 1 1 A 21 21 GLN N N 99 118.958 116.954 2.004 1
1 257 . 2 1 1 A 22 22 LEU H H 100 8.214 8.594 -0.380 1
1 258 . 2 1 1 A 22 22 LEU HA H 100 4.150 4.026 0.124 1
1 268 . 2 1 1 A 22 22 LEU C C 100 179.438 179.335 0.103 1
1 269 . 2 1 1 A 22 22 LEU CA C 100 58.320 57.891 0.429 1
1 270 . 2 1 1 A 22 22 LEU CB C 100 42.816 41.765 1.051 1
1 274 . 2 1 1 A 22 22 LEU N N 100 119.829 119.947 -0.118 1
1 275 . 2 1 1 A 23 23 ARG H H 101 8.722 8.515 0.207 1
1 276 . 2 1 1 A 23 23 ARG HA H 101 3.946 4.076 -0.130 1
1 284 . 2 1 1 A 23 23 ARG C C 101 179.448 178.934 0.514 1
1 285 . 2 1 1 A 23 23 ARG CA C 101 60.910 59.402 1.508 1
1 286 . 2 1 1 A 23 23 ARG CB C 101 29.853 29.839 0.014 1
1 288 . 2 1 1 A 23 23 ARG N N 101 117.690 119.093 -1.403 1
1 289 . 2 1 1 A 24 24 GLN H H 102 7.804 7.663 0.141 1
1 290 . 2 1 1 A 24 24 GLN HA H 102 4.015 4.005 0.010 1
1 297 . 2 1 1 A 24 24 GLN C C 102 178.951 178.538 0.413 1
1 298 . 2 1 1 A 24 24 GLN CA C 102 58.785 58.474 0.311 1
1 299 . 2 1 1 A 24 24 GLN CB C 102 28.263 28.267 -0.004 1
1 301 . 2 1 1 A 24 24 GLN N N 102 117.686 118.554 -0.868 1
1 303 . 2 1 1 A 25 25 ASP H H 103 8.393 7.834 0.559 1
1 304 . 2 1 1 A 25 25 ASP HA H 103 4.414 4.513 -0.099 1
1 307 . 2 1 1 A 25 25 ASP C C 103 179.476 178.808 0.668 1
1 308 . 2 1 1 A 25 25 ASP CA C 103 57.753 57.486 0.267 1
1 309 . 2 1 1 A 25 25 ASP CB C 103 40.432 40.731 -0.299 1
1 310 . 2 1 1 A 25 25 ASP N N 103 122.118 120.246 1.872 1
1 311 . 2 1 1 A 26 26 ILE H H 104 8.737 7.600 1.137 1
1 312 . 2 1 1 A 26 26 ILE HA H 104 3.761 3.671 0.090 1
1 320 . 2 1 1 A 26 26 ILE C C 104 180.320 178.020 2.300 1
1 321 . 2 1 1 A 26 26 ILE CA C 104 65.902 64.869 1.033 1
1 322 . 2 1 1 A 26 26 ILE CB C 104 38.826 37.770 1.056 1
1 325 . 2 1 1 A 26 26 ILE N N 104 122.668 120.190 2.478 1
1 326 . 2 1 1 A 27 27 VAL H H 105 7.923 7.757 0.166 1
1 327 . 2 1 1 A 27 27 VAL HA H 105 3.077 3.910 -0.833 1
1 335 . 2 1 1 A 27 27 VAL C C 105 176.073 177.557 -1.484 1
1 336 . 2 1 1 A 27 27 VAL CA C 105 67.080 64.673 2.407 1
1 337 . 2 1 1 A 27 27 VAL CB C 105 31.450 31.504 -0.054 1
1 340 . 2 1 1 A 27 27 VAL N N 105 121.194 116.731 4.463 1
1 341 . 2 1 1 A 28 28 ALA H H 106 7.892 7.157 0.735 1
1 342 . 2 1 1 A 28 28 ALA HA H 106 4.286 4.344 -0.058 1
1 346 . 2 1 1 A 28 28 ALA C C 106 178.366 177.746 0.620 1
1 347 . 2 1 1 A 28 28 ALA CA C 106 52.572 52.019 0.553 1
1 348 . 2 1 1 A 28 28 ALA CB C 106 19.616 19.465 0.151 1
1 349 . 2 1 1 A 28 28 ALA N N 106 117.103 121.824 -4.721 1
1 350 . 2 1 1 A 29 29 GLY H H 107 7.670 7.955 -0.285 1
1 351 . 2 1 1 A 29 29 GLY HA2 H 107 4.181 3.941 0.240 1
1 352 . 2 1 1 A 29 29 GLY HA3 H 107 3.924 3.944 -0.020 1
1 353 . 2 1 1 A 29 29 GLY C C 107 174.596 175.213 -0.617 1
1 354 . 2 1 1 A 29 29 GLY CA C 107 45.157 46.517 -1.360 1
1 355 . 2 1 1 A 29 29 GLY N N 107 105.038 107.035 -1.997 1
1 356 . 2 1 1 A 30 30 ARG H H 108 7.972 8.438 -0.466 1
1 357 . 2 1 1 A 30 30 ARG HA H 108 4.185 4.314 -0.129 1
1 365 . 2 1 1 A 30 30 ARG C C 108 175.874 175.349 0.525 1
1 366 . 2 1 1 A 30 30 ARG CA C 108 57.987 56.455 1.532 1
1 367 . 2 1 1 A 30 30 ARG CB C 108 31.218 30.518 0.700 1
1 370 . 2 1 1 A 30 30 ARG N N 108 118.333 118.390 -0.057 1
1 371 . 2 1 1 A 31 31 LEU H H 109 6.696 7.482 -0.786 1
1 372 . 2 1 1 A 31 31 LEU HA H 109 4.939 4.761 0.178 1
1 382 . 2 1 1 A 31 31 LEU C C 109 173.324 173.801 -0.477 1
1 383 . 2 1 1 A 31 31 LEU CA C 109 50.930 51.525 -0.595 1
1 384 . 2 1 1 A 31 31 LEU CB C 109 43.480 45.685 -2.205 1
1 388 . 2 1 1 A 31 31 LEU N N 109 118.681 119.199 -0.518 1
1 389 . 2 1 1 A 32 32 PRO HA H 110 4.411 4.831 -0.420 1
1 396 . 2 1 1 A 32 32 PRO C C 110 176.694 175.977 0.717 1
1 397 . 2 1 1 A 32 32 PRO CA C 110 63.123 62.803 0.320 1
1 398 . 2 1 1 A 32 32 PRO CB C 110 32.022 31.766 0.256 1
1 401 . 2 1 1 A 33 33 CYS H H 111 8.273 8.498 -0.225 1
1 402 . 2 1 1 A 33 33 CYS HA H 111 4.834 5.043 -0.209 1
1 405 . 2 1 1 A 33 33 CYS C C 111 173.523 172.771 0.752 1
1 406 . 2 1 1 A 33 33 CYS CA C 111 57.890 58.034 -0.144 1
1 407 . 2 1 1 A 33 33 CYS CB C 111 32.282 32.899 -0.617 1
1 408 . 2 1 1 A 33 33 CYS N N 111 119.113 122.331 -3.218 1
1 409 . 2 1 1 A 34 34 SER H H 112 8.738 8.763 -0.025 1
1 410 . 2 1 1 A 34 34 SER HA H 112 4.527 4.972 -0.445 1
1 413 . 2 1 1 A 34 34 SER C C 112 173.709 175.201 -1.492 1
1 414 . 2 1 1 A 34 34 SER CA C 112 57.256 56.093 1.163 1
1 415 . 2 1 1 A 34 34 SER CB C 112 65.433 65.520 -0.087 1
1 416 . 2 1 1 A 34 34 SER N N 112 118.212 117.589 0.623 1
1 417 . 2 1 1 A 35 35 PHE H H 113 9.027 9.351 -0.324 1
1 418 . 2 1 1 A 35 35 PHE HA H 113 4.047 4.078 -0.031 1
1 426 . 2 1 1 A 35 35 PHE C C 113 176.433 177.201 -0.768 1
1 427 . 2 1 1 A 35 35 PHE CA C 113 62.623 62.728 -0.105 1
1 428 . 2 1 1 A 35 35 PHE CB C 113 39.128 39.734 -0.606 1
1 434 . 2 1 1 A 35 35 PHE N N 113 122.209 126.485 -4.276 1
1 435 . 2 1 1 A 36 36 ALA H H 114 8.631 8.285 0.346 1
1 436 . 2 1 1 A 36 36 ALA HA H 114 3.926 4.105 -0.179 1
1 440 . 2 1 1 A 36 36 ALA C C 114 181.064 180.162 0.902 1
1 441 . 2 1 1 A 36 36 ALA CA C 114 55.300 55.359 -0.059 1
1 442 . 2 1 1 A 36 36 ALA CB C 114 18.423 18.707 -0.284 1
1 443 . 2 1 1 A 36 36 ALA N N 114 118.977 121.165 -2.188 1
1 444 . 2 1 1 A 37 37 THR H H 115 7.886 8.105 -0.219 1
1 445 . 2 1 1 A 37 37 THR HA H 115 3.859 3.985 -0.126 1
1 450 . 2 1 1 A 37 37 THR C C 115 175.630 176.622 -0.992 1
1 451 . 2 1 1 A 37 37 THR CA C 115 66.294 66.999 -0.705 1
1 452 . 2 1 1 A 37 37 THR CB C 115 68.298 67.882 0.416 1
1 454 . 2 1 1 A 37 37 THR N N 115 117.602 114.779 2.823 1
1 455 . 2 1 1 A 38 38 LEU H H 116 8.740 8.207 0.533 1
1 456 . 2 1 1 A 38 38 LEU HA H 116 3.904 3.931 -0.027 1
1 466 . 2 1 1 A 38 38 LEU C C 116 180.666 179.138 1.528 1
1 467 . 2 1 1 A 38 38 LEU CA C 116 58.166 57.886 0.280 1
1 468 . 2 1 1 A 38 38 LEU CB C 116 43.034 41.263 1.771 1
1 472 . 2 1 1 A 38 38 LEU N N 116 122.945 121.257 1.688 1
1 473 . 2 1 1 A 39 39 ALA H H 117 8.151 8.156 -0.005 1
1 474 . 2 1 1 A 39 39 ALA HA H 117 3.776 3.895 -0.119 1
1 478 . 2 1 1 A 39 39 ALA C C 117 178.461 179.774 -1.313 1
1 479 . 2 1 1 A 39 39 ALA CA C 117 53.839 54.889 -1.050 1
1 480 . 2 1 1 A 39 39 ALA CB C 117 17.406 18.059 -0.653 1
1 481 . 2 1 1 A 39 39 ALA N N 117 120.752 121.603 -0.851 1
1 482 . 2 1 1 A 40 40 LEU H H 118 7.801 8.100 -0.299 1
1 483 . 2 1 1 A 40 40 LEU HA H 118 3.892 4.021 -0.129 1
1 492 . 2 1 1 A 40 40 LEU C C 118 180.428 178.577 1.851 1
1 493 . 2 1 1 A 40 40 LEU CA C 118 57.978 57.909 0.069 1
1 494 . 2 1 1 A 40 40 LEU CB C 118 42.699 41.966 0.733 1
1 497 . 2 1 1 A 40 40 LEU N N 118 119.699 120.250 -0.551 1
1 498 . 2 1 1 A 41 41 LEU H H 119 9.153 8.863 0.290 1
1 499 . 2 1 1 A 41 41 LEU HA H 119 4.181 4.411 -0.230 1
1 509 . 2 1 1 A 41 41 LEU C C 119 179.132 179.339 -0.207 1
1 510 . 2 1 1 A 41 41 LEU CA C 119 58.696 58.336 0.360 1
1 511 . 2 1 1 A 41 41 LEU CB C 119 39.102 41.890 -2.788 1
1 515 . 2 1 1 A 41 41 LEU N N 119 118.687 119.341 -0.654 1
1 516 . 2 1 1 A 42 42 GLY H H 120 8.253 8.112 0.141 1
1 517 . 2 1 1 A 42 42 GLY HA2 H 120 4.016 3.736 0.280 1
1 518 . 2 1 1 A 42 42 GLY HA3 H 120 3.610 3.754 -0.144 1
1 519 . 2 1 1 A 42 42 GLY C C 120 175.046 176.468 -1.422 1
1 520 . 2 1 1 A 42 42 GLY CA C 120 48.060 47.442 0.618 1
1 521 . 2 1 1 A 42 42 GLY N N 120 106.562 106.886 -0.324 1
1 522 . 2 1 1 A 43 43 SER H H 121 8.456 8.316 0.140 1
1 523 . 2 1 1 A 43 43 SER HA H 121 3.928 4.088 -0.160 1
1 526 . 2 1 1 A 43 43 SER C C 121 175.318 176.268 -0.950 1
1 527 . 2 1 1 A 43 43 SER CA C 121 62.651 62.921 -0.270 1
1 528 . 2 1 1 A 43 43 SER CB C 121 62.722 63.346 -0.624 1
1 529 . 2 1 1 A 43 43 SER N N 121 117.787 118.688 -0.901 1
1 530 . 2 1 1 A 44 44 TYR H H 122 7.311 7.627 -0.316 1
1 531 . 2 1 1 A 44 44 TYR HA H 122 4.635 4.262 0.373 1
1 538 . 2 1 1 A 44 44 TYR C C 122 178.731 178.138 0.593 1
1 539 . 2 1 1 A 44 44 TYR CA C 122 61.704 60.630 1.074 1
1 540 . 2 1 1 A 44 44 TYR CB C 122 38.809 38.026 0.783 1
1 545 . 2 1 1 A 44 44 TYR N N 122 123.923 120.380 3.543 1
1 546 . 2 1 1 A 45 45 THR H H 123 8.748 8.146 0.602 1
1 547 . 2 1 1 A 45 45 THR HA H 123 3.747 3.894 -0.147 1
1 552 . 2 1 1 A 45 45 THR C C 123 175.781 176.486 -0.705 1
1 553 . 2 1 1 A 45 45 THR CA C 123 67.015 67.069 -0.054 1
1 554 . 2 1 1 A 45 45 THR CB C 123 67.670 68.215 -0.545 1
1 556 . 2 1 1 A 45 45 THR N N 123 121.374 115.397 5.977 1
1 557 . 2 1 1 A 46 46 ILE H H 124 8.131 8.013 0.118 1
1 558 . 2 1 1 A 46 46 ILE HA H 124 3.161 3.198 -0.037 1
1 568 . 2 1 1 A 46 46 ILE C C 124 177.130 177.802 -0.672 1
1 569 . 2 1 1 A 46 46 ILE CA C 124 62.478 65.392 -2.914 1
1 570 . 2 1 1 A 46 46 ILE CB C 124 35.268 37.593 -2.325 1
1 574 . 2 1 1 A 46 46 ILE N N 124 119.593 121.567 -1.974 1
1 575 . 2 1 1 A 47 47 GLN H H 125 7.871 7.764 0.107 1
1 576 . 2 1 1 A 47 47 GLN HA H 125 4.110 3.515 0.595 1
1 583 . 2 1 1 A 47 47 GLN C C 125 178.150 177.799 0.351 1
1 584 . 2 1 1 A 47 47 GLN CA C 125 58.333 58.275 0.058 1
1 585 . 2 1 1 A 47 47 GLN CB C 125 27.448 27.739 -0.291 1
1 587 . 2 1 1 A 47 47 GLN N N 125 121.155 120.280 0.875 1
1 589 . 2 1 1 A 48 48 SER H H 126 8.194 7.911 0.283 1
1 590 . 2 1 1 A 48 48 SER HA H 126 4.055 4.115 -0.060 1
1 593 . 2 1 1 A 48 48 SER C C 126 176.209 176.360 -0.151 1
1 594 . 2 1 1 A 48 48 SER CA C 126 60.823 61.214 -0.391 1
1 595 . 2 1 1 A 48 48 SER CB C 126 63.592 62.929 0.663 1
1 596 . 2 1 1 A 48 48 SER N N 126 111.964 114.008 -2.044 1
1 597 . 2 1 1 A 49 49 GLU H H 127 8.009 8.088 -0.079 1
1 598 . 2 1 1 A 49 49 GLU HA H 127 4.296 4.237 0.059 1
1 603 . 2 1 1 A 49 49 GLU C C 127 178.319 177.935 0.384 1
1 604 . 2 1 1 A 49 49 GLU CA C 127 58.376 58.627 -0.251 1
1 605 . 2 1 1 A 49 49 GLU CB C 127 30.928 30.174 0.754 1
1 607 . 2 1 1 A 49 49 GLU N N 127 116.052 121.405 -5.353 1
1 608 . 2 1 1 A 50 50 LEU H H 128 8.916 8.318 0.598 1
1 609 . 2 1 1 A 50 50 LEU HA H 128 4.549 4.413 0.136 1
1 619 . 2 1 1 A 50 50 LEU C C 128 178.447 177.262 1.185 1
1 620 . 2 1 1 A 50 50 LEU CA C 128 55.159 54.417 0.742 1
1 621 . 2 1 1 A 50 50 LEU CB C 128 43.500 42.339 1.161 1
1 625 . 2 1 1 A 50 50 LEU N N 128 117.044 116.782 0.262 1
1 626 . 2 1 1 A 51 51 GLY H H 129 7.710 7.920 -0.210 1
1 627 . 2 1 1 A 51 51 GLY HA2 H 129 4.261 3.931 0.330 1
1 628 . 2 1 1 A 51 51 GLY HA3 H 129 3.994 3.936 0.058 1
1 629 . 2 1 1 A 51 51 GLY C C 129 172.406 173.515 -1.109 1
1 630 . 2 1 1 A 51 51 GLY CA C 129 44.162 46.922 -2.760 1
1 631 . 2 1 1 A 51 51 GLY N N 129 109.110 106.399 2.711 1
1 632 . 2 1 1 A 52 52 ASP H H 130 8.131 8.370 -0.239 1
1 633 . 2 1 1 A 52 52 ASP HA H 130 4.577 5.257 -0.680 1
1 636 . 2 1 1 A 52 52 ASP C C 130 176.862 173.836 3.026 1
1 637 . 2 1 1 A 52 52 ASP CA C 130 54.581 52.865 1.716 1
1 638 . 2 1 1 A 52 52 ASP CB C 130 41.028 43.414 -2.386 1
1 639 . 2 1 1 A 52 52 ASP N N 130 118.844 124.862 -6.018 1
1 640 . 2 1 1 A 53 53 TYR H H 131 8.732 8.987 -0.255 1
1 641 . 2 1 1 A 53 53 TYR HA H 131 4.410 4.876 -0.466 1
1 648 . 2 1 1 A 53 53 TYR C C 131 174.929 173.968 0.961 1
1 649 . 2 1 1 A 53 53 TYR CA C 131 58.452 56.583 1.869 1
1 650 . 2 1 1 A 53 53 TYR CB C 131 37.536 40.991 -3.455 1
1 655 . 2 1 1 A 53 53 TYR N N 131 121.518 122.276 -0.758 1
1 656 . 2 1 1 A 54 54 ASP H H 132 9.981 8.463 1.518 1
1 657 . 2 1 1 A 54 54 ASP HA H 132 4.652 5.466 -0.814 1
1 660 . 2 1 1 A 54 54 ASP CA C 132 49.843 51.362 -1.519 1
1 661 . 2 1 1 A 54 54 ASP CB C 132 42.737 41.930 0.807 1
1 662 . 2 1 1 A 54 54 ASP N N 132 132.995 128.191 4.804 1
1 663 . 2 1 1 A 55 55 PRO HA H 133 4.117 4.829 -0.712 1
1 670 . 2 1 1 A 55 55 PRO C C 133 178.353 178.643 -0.290 1
1 671 . 2 1 1 A 55 55 PRO CA C 133 64.216 65.011 -0.795 1
1 672 . 2 1 1 A 55 55 PRO CB C 133 32.133 32.088 0.045 1
1 675 . 2 1 1 A 56 56 GLU H H 134 7.968 9.152 -1.184 1
1 676 . 2 1 1 A 56 56 GLU HA H 134 4.047 4.160 -0.113 1
1 681 . 2 1 1 A 56 56 GLU C C 134 177.001 178.832 -1.831 1
1 682 . 2 1 1 A 56 56 GLU CA C 134 57.984 58.775 -0.791 1
1 683 . 2 1 1 A 56 56 GLU CB C 134 29.667 28.826 0.841 1
1 685 . 2 1 1 A 56 56 GLU N N 134 116.491 116.415 0.076 1
1 686 . 2 1 1 A 57 57 LEU H H 135 7.137 8.063 -0.926 1
1 687 . 2 1 1 A 57 57 LEU HA H 135 4.186 4.248 -0.062 1
1 697 . 2 1 1 A 57 57 LEU C C 135 177.695 177.974 -0.279 1
1 698 . 2 1 1 A 57 57 LEU CA C 135 55.372 57.386 -2.014 1
1 699 . 2 1 1 A 57 57 LEU CB C 135 43.889 43.027 0.862 1
1 703 . 2 1 1 A 57 57 LEU N N 135 118.254 122.088 -3.834 1
1 704 . 2 1 1 A 58 58 HIS H H 136 8.121 8.240 -0.119 1
1 705 . 2 1 1 A 58 58 HIS HA H 136 4.560 4.702 -0.142 1
1 709 . 2 1 1 A 58 58 HIS C C 136 176.135 175.275 0.860 1
1 710 . 2 1 1 A 58 58 HIS CA C 136 56.134 57.837 -1.703 1
1 711 . 2 1 1 A 58 58 HIS CB C 136 31.534 30.709 0.825 1
1 713 . 2 1 1 A 58 58 HIS N N 136 120.254 112.108 8.146 1
1 714 . 2 1 1 A 59 59 GLY H H 137 7.890 7.809 0.081 1
1 715 . 2 1 1 A 59 59 GLY HA2 H 137 4.166 4.054 0.112 1
1 716 . 2 1 1 A 59 59 GLY HA3 H 137 3.990 4.065 -0.075 1
1 717 . 2 1 1 A 59 59 GLY C C 137 175.021 173.264 1.757 1
1 718 . 2 1 1 A 59 59 GLY CA C 137 45.431 46.092 -0.661 1
1 719 . 2 1 1 A 59 59 GLY N N 137 108.183 103.940 4.243 1
1 720 . 2 1 1 A 60 60 VAL H H 138 8.519 8.152 0.367 1
1 721 . 2 1 1 A 60 60 VAL HA H 138 4.503 3.789 0.714 1
1 729 . 2 1 1 A 60 60 VAL C C 138 176.419 175.936 0.483 1
1 730 . 2 1 1 A 60 60 VAL CA C 138 62.905 63.013 -0.108 1
1 731 . 2 1 1 A 60 60 VAL CB C 138 32.421 34.556 -2.135 1
1 734 . 2 1 1 A 60 60 VAL N N 138 116.738 121.705 -4.967 1
1 735 . 2 1 1 A 61 61 ASP H H 139 8.525 7.814 0.711 1
1 736 . 2 1 1 A 61 61 ASP HA H 139 4.959 4.814 0.145 1
1 739 . 2 1 1 A 61 61 ASP C C 139 177.816 176.538 1.278 1
1 740 . 2 1 1 A 61 61 ASP CA C 139 54.278 53.641 0.637 1
1 741 . 2 1 1 A 61 61 ASP CB C 139 40.771 41.395 -0.624 1
1 742 . 2 1 1 A 61 61 ASP N N 139 120.408 118.173 2.235 1
1 743 . 2 1 1 A 62 62 TYR H H 140 7.553 7.570 -0.017 1
1 744 . 2 1 1 A 62 62 TYR HA H 140 4.611 4.577 0.034 1
1 751 . 2 1 1 A 62 62 TYR C C 140 176.791 177.145 -0.354 1
1 752 . 2 1 1 A 62 62 TYR CA C 140 59.811 58.499 1.312 1
1 753 . 2 1 1 A 62 62 TYR CB C 140 37.453 37.770 -0.317 1
1 758 . 2 1 1 A 62 62 TYR N N 140 118.187 119.892 -1.705 1
1 759 . 2 1 1 A 63 63 VAL H H 141 7.645 8.133 -0.488 1
1 760 . 2 1 1 A 63 63 VAL HA H 141 3.861 3.813 0.048 1
1 768 . 2 1 1 A 63 63 VAL C C 141 176.409 178.256 -1.847 1
1 769 . 2 1 1 A 63 63 VAL CA C 141 63.504 66.469 -2.965 1
1 770 . 2 1 1 A 63 63 VAL CB C 141 31.598 31.323 0.275 1
1 773 . 2 1 1 A 63 63 VAL N N 141 118.945 122.061 -3.116 1
1 774 . 2 1 1 A 64 64 SER H H 142 7.611 8.174 -0.563 1
1 775 . 2 1 1 A 64 64 SER HA H 142 4.234 4.350 -0.116 1
1 778 . 2 1 1 A 64 64 SER C C 142 175.035 175.174 -0.139 1
1 779 . 2 1 1 A 64 64 SER CA C 142 60.628 61.060 -0.432 1
1 780 . 2 1 1 A 64 64 SER CB C 142 63.183 62.984 0.199 1
1 781 . 2 1 1 A 64 64 SER N N 142 113.661 116.200 -2.539 1
1 782 . 2 1 1 A 65 65 ASP H H 143 7.440 7.798 -0.358 1
1 783 . 2 1 1 A 65 65 ASP HA H 143 4.568 4.603 -0.035 1
1 786 . 2 1 1 A 65 65 ASP C C 143 175.376 176.367 -0.991 1
1 787 . 2 1 1 A 65 65 ASP CA C 143 55.077 55.220 -0.143 1
1 788 . 2 1 1 A 65 65 ASP CB C 143 40.913 41.623 -0.710 1
1 789 . 2 1 1 A 65 65 ASP N N 143 118.332 119.356 -1.024 1
1 790 . 2 1 1 A 66 66 PHE H H 144 8.115 7.864 0.251 1
1 791 . 2 1 1 A 66 66 PHE HA H 144 4.369 4.770 -0.401 1
1 798 . 2 1 1 A 66 66 PHE C C 144 174.524 175.421 -0.897 1
1 799 . 2 1 1 A 66 66 PHE CA C 144 57.705 57.872 -0.167 1
1 800 . 2 1 1 A 66 66 PHE CB C 144 41.033 40.462 0.571 1
1 805 . 2 1 1 A 66 66 PHE N N 144 120.277 117.310 2.967 1
1 806 . 2 1 1 A 67 67 LYS H H 145 8.688 8.833 -0.145 1
1 807 . 2 1 1 A 67 67 LYS HA H 145 4.671 4.473 0.198 1
1 816 . 2 1 1 A 67 67 LYS C C 145 175.437 176.245 -0.808 1
1 817 . 2 1 1 A 67 67 LYS CA C 145 55.418 55.541 -0.123 1
1 818 . 2 1 1 A 67 67 LYS CB C 145 31.784 31.578 0.206 1
1 822 . 2 1 1 A 67 67 LYS N N 145 122.931 124.364 -1.433 1
1 823 . 2 1 1 A 68 68 LEU H H 146 9.642 8.579 1.063 1
1 824 . 2 1 1 A 68 68 LEU HA H 146 4.484 4.442 0.042 1
1 834 . 2 1 1 A 68 68 LEU C C 146 175.512 176.599 -1.087 1
1 835 . 2 1 1 A 68 68 LEU CA C 146 54.375 55.874 -1.499 1
1 836 . 2 1 1 A 68 68 LEU CB C 146 44.114 42.616 1.498 1
1 840 . 2 1 1 A 68 68 LEU N N 146 123.156 126.548 -3.392 1
1 841 . 2 1 1 A 69 69 ALA H H 147 7.586 7.489 0.097 1
1 842 . 2 1 1 A 69 69 ALA HA H 147 4.597 4.670 -0.073 1
1 846 . 2 1 1 A 69 69 ALA C C 147 173.720 176.917 -3.197 1
1 847 . 2 1 1 A 69 69 ALA CA C 147 49.637 50.527 -0.890 1
1 848 . 2 1 1 A 69 69 ALA CB C 147 22.691 21.369 1.322 1
1 849 . 2 1 1 A 69 69 ALA N N 147 117.486 117.457 0.029 1
1 850 . 2 1 1 A 70 70 PRO HA H 148 4.578 4.352 0.226 1
1 857 . 2 1 1 A 70 70 PRO C C 148 176.996 177.111 -0.115 1
1 858 . 2 1 1 A 70 70 PRO CA C 148 64.435 65.209 -0.774 1
1 859 . 2 1 1 A 70 70 PRO CB C 148 31.448 32.003 -0.555 1
1 862 . 2 1 1 A 71 71 ASN H H 149 8.221 8.008 0.213 1
1 863 . 2 1 1 A 71 71 ASN HA H 149 4.783 4.917 -0.134 1
1 868 . 2 1 1 A 71 71 ASN C C 149 173.865 174.056 -0.191 1
1 869 . 2 1 1 A 71 71 ASN CA C 149 52.308 51.892 0.416 1
1 870 . 2 1 1 A 71 71 ASN CB C 149 38.065 37.547 0.518 1
1 871 . 2 1 1 A 71 71 ASN N N 149 116.940 114.640 2.300 1
1 873 . 2 1 1 A 72 72 GLN H H 150 8.467 8.716 -0.249 1
1 874 . 2 1 1 A 72 72 GLN HA H 150 3.962 4.509 -0.547 1
1 881 . 2 1 1 A 72 72 GLN C C 150 174.832 174.689 0.143 1
1 882 . 2 1 1 A 72 72 GLN CA C 150 57.793 56.363 1.430 1
1 883 . 2 1 1 A 72 72 GLN CB C 150 29.029 29.071 -0.042 1
1 885 . 2 1 1 A 72 72 GLN N N 150 123.793 125.556 -1.763 1
1 887 . 2 1 1 A 73 73 THR H H 151 7.040 8.384 -1.344 1
1 888 . 2 1 1 A 73 73 THR HA H 151 4.668 4.867 -0.199 1
1 893 . 2 1 1 A 73 73 THR C C 151 175.175 175.458 -0.283 1
1 894 . 2 1 1 A 73 73 THR CA C 151 59.504 59.743 -0.239 1
1 895 . 2 1 1 A 73 73 THR CB C 151 72.544 71.041 1.503 1
1 897 . 2 1 1 A 73 73 THR N N 151 115.239 122.047 -6.808 1
1 898 . 2 1 1 A 74 74 LYS H H 152 8.949 9.103 -0.154 1
1 899 . 2 1 1 A 74 74 LYS HA H 152 4.109 4.309 -0.200 1
1 908 . 2 1 1 A 74 74 LYS C C 152 178.758 178.458 0.300 1
1 909 . 2 1 1 A 74 74 LYS CA C 152 58.521 60.296 -1.775 1
1 910 . 2 1 1 A 74 74 LYS CB C 152 31.372 32.056 -0.684 1
1 914 . 2 1 1 A 74 74 LYS N N 152 122.065 127.943 -5.878 1
1 915 . 2 1 1 A 75 75 GLU H H 153 8.762 8.529 0.233 1
1 916 . 2 1 1 A 75 75 GLU HA H 153 4.098 4.174 -0.076 1
1 921 . 2 1 1 A 75 75 GLU C C 153 179.947 179.526 0.421 1
1 922 . 2 1 1 A 75 75 GLU CA C 153 60.405 59.276 1.129 1
1 923 . 2 1 1 A 75 75 GLU CB C 153 28.999 29.445 -0.446 1
1 925 . 2 1 1 A 75 75 GLU N N 153 118.335 120.577 -2.242 1
1 926 . 2 1 1 A 76 76 LEU H H 154 7.726 8.174 -0.448 1
1 927 . 2 1 1 A 76 76 LEU HA H 154 4.061 3.880 0.181 1
1 937 . 2 1 1 A 76 76 LEU C C 154 178.292 178.786 -0.494 1
1 938 . 2 1 1 A 76 76 LEU CA C 154 58.188 57.779 0.409 1
1 939 . 2 1 1 A 76 76 LEU CB C 154 41.061 41.532 -0.471 1
1 943 . 2 1 1 A 76 76 LEU N N 154 121.434 121.341 0.093 1
1 944 . 2 1 1 A 77 77 GLU H H 155 8.044 8.443 -0.399 1
1 945 . 2 1 1 A 77 77 GLU HA H 155 3.394 3.951 -0.557 1
1 950 . 2 1 1 A 77 77 GLU C C 155 178.363 179.649 -1.286 1
1 951 . 2 1 1 A 77 77 GLU CA C 155 60.409 59.953 0.456 1
1 952 . 2 1 1 A 77 77 GLU CB C 155 28.697 29.253 -0.556 1
1 954 . 2 1 1 A 77 77 GLU N N 155 118.172 118.859 -0.687 1
1 955 . 2 1 1 A 78 78 GLU H H 156 8.657 8.790 -0.133 1
1 956 . 2 1 1 A 78 78 GLU HA H 156 3.945 4.042 -0.097 1
1 961 . 2 1 1 A 78 78 GLU C C 156 179.197 178.868 0.329 1
1 962 . 2 1 1 A 78 78 GLU CA C 156 59.869 59.314 0.555 1
1 963 . 2 1 1 A 78 78 GLU CB C 156 29.466 29.170 0.296 1
1 965 . 2 1 1 A 78 78 GLU N N 156 117.944 120.324 -2.380 1
1 966 . 2 1 1 A 79 79 LYS H H 157 7.564 7.773 -0.209 1
1 967 . 2 1 1 A 79 79 LYS HA H 157 4.245 4.202 0.043 1
1 976 . 2 1 1 A 79 79 LYS C C 157 178.328 178.861 -0.533 1
1 977 . 2 1 1 A 79 79 LYS CA C 157 57.557 58.862 -1.305 1
1 978 . 2 1 1 A 79 79 LYS CB C 157 30.969 32.269 -1.300 1
1 982 . 2 1 1 A 79 79 LYS N N 157 121.118 121.108 0.010 1
1 983 . 2 1 1 A 80 80 VAL H H 158 8.412 7.771 0.641 1
1 984 . 2 1 1 A 80 80 VAL HA H 158 3.314 3.948 -0.634 1
1 992 . 2 1 1 A 80 80 VAL C C 158 177.623 178.128 -0.505 1
1 993 . 2 1 1 A 80 80 VAL CA C 158 67.250 66.330 0.920 1
1 994 . 2 1 1 A 80 80 VAL CB C 158 30.867 31.905 -1.038 1
1 997 . 2 1 1 A 80 80 VAL N N 158 119.270 119.891 -0.621 1
1 998 . 2 1 1 A 81 81 MET H H 159 8.212 7.987 0.225 1
1 999 . 2 1 1 A 81 81 MET HA H 159 4.039 4.463 -0.424 1
1 1007 . 2 1 1 A 81 81 MET C C 159 177.305 178.599 -1.294 1
1 1008 . 2 1 1 A 81 81 MET CA C 159 59.998 59.347 0.651 1
1 1009 . 2 1 1 A 81 81 MET CB C 159 33.605 33.323 0.282 1
1 1012 . 2 1 1 A 81 81 MET N N 159 117.924 117.642 0.282 1
1 1013 . 2 1 1 A 82 82 GLU H H 160 7.780 8.574 -0.794 1
1 1014 . 2 1 1 A 82 82 GLU HA H 160 3.768 4.014 -0.246 1
1 1019 . 2 1 1 A 82 82 GLU C C 160 179.468 178.850 0.618 1
1 1020 . 2 1 1 A 82 82 GLU CA C 160 59.555 59.045 0.510 1
1 1021 . 2 1 1 A 82 82 GLU CB C 160 29.831 29.367 0.464 1
1 1023 . 2 1 1 A 82 82 GLU N N 160 119.282 120.549 -1.267 1
1 1024 . 2 1 1 A 83 83 LEU H H 161 7.748 8.257 -0.509 1
1 1025 . 2 1 1 A 83 83 LEU HA H 161 3.756 4.028 -0.272 1
1 1035 . 2 1 1 A 83 83 LEU C C 161 179.113 178.545 0.568 1
1 1036 . 2 1 1 A 83 83 LEU CA C 161 57.246 57.633 -0.387 1
1 1037 . 2 1 1 A 83 83 LEU CB C 161 41.824 41.475 0.349 1
1 1041 . 2 1 1 A 83 83 LEU N N 161 118.542 120.136 -1.594 1
1 1042 . 2 1 1 A 84 84 HIS H H 162 8.842 8.203 0.639 1
1 1043 . 2 1 1 A 84 84 HIS HA H 162 3.986 4.262 -0.276 1
1 1047 . 2 1 1 A 84 84 HIS C C 162 178.286 176.934 1.352 1
1 1048 . 2 1 1 A 84 84 HIS CA C 162 58.407 60.515 -2.108 1
1 1049 . 2 1 1 A 84 84 HIS CB C 162 32.405 30.247 2.158 1
1 1051 . 2 1 1 A 84 84 HIS N N 162 120.325 118.029 2.296 1
1 1052 . 2 1 1 A 85 85 LYS H H 163 7.951 7.895 0.056 1
1 1053 . 2 1 1 A 85 85 LYS HA H 163 3.383 4.068 -0.685 1
1 1062 . 2 1 1 A 85 85 LYS C C 163 177.303 178.982 -1.679 1
1 1063 . 2 1 1 A 85 85 LYS CA C 163 59.730 59.181 0.549 1
1 1064 . 2 1 1 A 85 85 LYS CB C 163 32.489 31.574 0.915 1
1 1068 . 2 1 1 A 85 85 LYS N N 163 116.598 120.033 -3.435 1
1 1069 . 2 1 1 A 86 86 SER H H 164 7.334 7.952 -0.618 1
1 1070 . 2 1 1 A 86 86 SER HA H 164 4.442 4.262 0.180 1
1 1073 . 2 1 1 A 86 86 SER C C 164 175.296 174.524 0.772 1
1 1074 . 2 1 1 A 86 86 SER CA C 164 59.708 60.528 -0.820 1
1 1075 . 2 1 1 A 86 86 SER CB C 164 64.669 62.841 1.828 1
1 1076 . 2 1 1 A 86 86 SER N N 164 113.922 113.589 0.333 1
1 1077 . 2 1 1 A 87 87 TYR H H 165 7.321 7.409 -0.088 1
1 1078 . 2 1 1 A 87 87 TYR HA H 165 5.037 4.640 0.397 1
1 1085 . 2 1 1 A 87 87 TYR C C 165 175.143 175.533 -0.390 1
1 1086 . 2 1 1 A 87 87 TYR CA C 165 54.570 58.804 -4.234 1
1 1087 . 2 1 1 A 87 87 TYR CB C 165 36.575 38.889 -2.314 1
1 1092 . 2 1 1 A 87 87 TYR N N 165 123.163 122.871 0.292 1
1 1093 . 2 1 1 A 88 88 ARG H H 166 7.263 8.726 -1.463 1
1 1094 . 2 1 1 A 88 88 ARG HA H 166 4.264 4.549 -0.285 1
1 1102 . 2 1 1 A 88 88 ARG C C 166 177.455 176.698 0.757 1
1 1103 . 2 1 1 A 88 88 ARG CA C 166 58.086 55.758 2.328 1
1 1104 . 2 1 1 A 88 88 ARG CB C 166 30.702 31.540 -0.838 1
1 1107 . 2 1 1 A 88 88 ARG N N 166 119.334 124.609 -5.275 1
1 1108 . 2 1 1 A 89 89 SER H H 167 10.206 8.763 1.443 1
1 1109 . 2 1 1 A 89 89 SER HA H 167 4.265 4.534 -0.269 1
1 1112 . 2 1 1 A 89 89 SER C C 167 174.371 173.896 0.475 1
1 1113 . 2 1 1 A 89 89 SER CA C 167 60.818 58.183 2.635 1
1 1114 . 2 1 1 A 89 89 SER CB C 167 62.576 61.443 1.133 1
1 1115 . 2 1 1 A 89 89 SER N N 167 121.486 117.102 4.384 1
1 1116 . 2 1 1 A 90 90 MET H H 168 8.409 9.448 -1.039 1
1 1117 . 2 1 1 A 90 90 MET HA H 168 4.531 4.775 -0.244 1
1 1125 . 2 1 1 A 90 90 MET C C 168 177.396 175.773 1.623 1
1 1126 . 2 1 1 A 90 90 MET CA C 168 56.283 54.626 1.657 1
1 1127 . 2 1 1 A 90 90 MET CB C 168 35.048 34.056 0.992 1
1 1130 . 2 1 1 A 90 90 MET N N 168 124.849 124.136 0.713 1
1 1131 . 2 1 1 A 91 91 THR H H 169 8.981 9.403 -0.422 1
1 1132 . 2 1 1 A 91 91 THR HA H 169 4.589 5.142 -0.553 1
1 1137 . 2 1 1 A 91 91 THR C C 169 173.532 174.811 -1.279 1
1 1138 . 2 1 1 A 91 91 THR CA C 169 61.052 59.542 1.510 1
1 1139 . 2 1 1 A 91 91 THR CB C 169 68.249 69.242 -0.993 1
1 1141 . 2 1 1 A 91 91 THR N N 169 122.910 114.017 8.893 1
1 1142 . 2 1 1 A 92 92 PRO HA H 170 4.151 4.217 -0.066 1
1 1147 . 2 1 1 A 92 92 PRO C C 170 177.481 178.432 -0.951 1
1 1148 . 2 1 1 A 92 92 PRO CA C 170 66.599 65.970 0.629 1
1 1149 . 2 1 1 A 92 92 PRO CB C 170 31.740 31.512 0.228 1
1 1151 . 2 1 1 A 93 93 ALA H H 171 7.833 8.415 -0.582 1
1 1152 . 2 1 1 A 93 93 ALA HA H 171 4.135 3.946 0.189 1
1 1156 . 2 1 1 A 93 93 ALA C C 171 180.982 180.508 0.474 1
1 1157 . 2 1 1 A 93 93 ALA CA C 171 54.982 55.382 -0.400 1
1 1158 . 2 1 1 A 93 93 ALA CB C 171 18.373 18.549 -0.176 1
1 1159 . 2 1 1 A 93 93 ALA N N 171 115.945 118.097 -2.152 1
1 1160 . 2 1 1 A 94 94 GLN H H 172 7.868 8.059 -0.191 1
1 1161 . 2 1 1 A 94 94 GLN HA H 172 3.911 3.982 -0.071 1
1 1168 . 2 1 1 A 94 94 GLN C C 172 178.279 178.278 0.001 1
1 1169 . 2 1 1 A 94 94 GLN CA C 172 58.547 58.757 -0.210 1
1 1170 . 2 1 1 A 94 94 GLN CB C 172 28.318 28.357 -0.039 1
1 1172 . 2 1 1 A 94 94 GLN N N 172 118.910 118.223 0.687 1
1 1174 . 2 1 1 A 95 95 ALA H H 173 8.459 7.613 0.846 1
1 1175 . 2 1 1 A 95 95 ALA HA H 173 4.066 3.853 0.213 1
1 1179 . 2 1 1 A 95 95 ALA C C 173 179.362 179.717 -0.355 1
1 1180 . 2 1 1 A 95 95 ALA CA C 173 55.413 55.176 0.237 1
1 1181 . 2 1 1 A 95 95 ALA CB C 173 17.730 18.368 -0.638 1
1 1182 . 2 1 1 A 95 95 ALA N N 173 123.672 122.511 1.161 1
1 1183 . 2 1 1 A 96 96 ASP H H 174 8.541 8.154 0.387 1
1 1184 . 2 1 1 A 96 96 ASP HA H 174 4.317 4.381 -0.064 1
1 1187 . 2 1 1 A 96 96 ASP C C 174 178.340 178.484 -0.144 1
1 1188 . 2 1 1 A 96 96 ASP CA C 174 57.230 57.477 -0.247 1
1 1189 . 2 1 1 A 96 96 ASP CB C 174 40.024 40.423 -0.399 1
1 1190 . 2 1 1 A 96 96 ASP N N 174 119.397 119.677 -0.280 1
1 1191 . 2 1 1 A 97 97 LEU H H 175 7.798 8.029 -0.231 1
1 1192 . 2 1 1 A 97 97 LEU HA H 175 3.968 4.124 -0.156 1
1 1202 . 2 1 1 A 97 97 LEU C C 175 179.822 178.615 1.207 1
1 1203 . 2 1 1 A 97 97 LEU CA C 175 58.737 57.196 1.541 1
1 1204 . 2 1 1 A 97 97 LEU CB C 175 41.661 41.493 0.168 1
1 1208 . 2 1 1 A 97 97 LEU N N 175 120.724 120.430 0.294 1
1 1209 . 2 1 1 A 98 98 GLU H H 176 8.172 8.101 0.071 1
1 1210 . 2 1 1 A 98 98 GLU HA H 176 3.885 3.676 0.209 1
1 1215 . 2 1 1 A 98 98 GLU C C 176 180.447 178.931 1.516 1
1 1216 . 2 1 1 A 98 98 GLU CA C 176 58.870 59.436 -0.566 1
1 1217 . 2 1 1 A 98 98 GLU CB C 176 27.413 28.402 -0.989 1
1 1219 . 2 1 1 A 98 98 GLU N N 176 119.724 119.330 0.394 1
1 1220 . 2 1 1 A 99 99 PHE H H 177 8.542 7.773 0.769 1
1 1221 . 2 1 1 A 99 99 PHE HA H 177 3.819 4.155 -0.336 1
1 1229 . 2 1 1 A 99 99 PHE C C 177 176.805 177.106 -0.301 1
1 1230 . 2 1 1 A 99 99 PHE CA C 177 62.277 61.217 1.060 1
1 1231 . 2 1 1 A 99 99 PHE CB C 177 38.948 39.409 -0.461 1
1 1237 . 2 1 1 A 99 99 PHE N N 177 123.837 121.333 2.504 1
1 1238 . 2 1 1 A 100 100 LEU H H 178 8.532 8.284 0.248 1
1 1239 . 2 1 1 A 100 100 LEU HA H 178 4.028 3.938 0.090 1
1 1249 . 2 1 1 A 100 100 LEU C C 178 179.884 179.324 0.560 1
1 1250 . 2 1 1 A 100 100 LEU CA C 178 58.046 58.001 0.045 1
1 1251 . 2 1 1 A 100 100 LEU CB C 178 41.419 41.503 -0.084 1
1 1255 . 2 1 1 A 100 100 LEU N N 178 119.496 119.138 0.358 1
1 1256 . 2 1 1 A 101 101 GLU H H 179 8.769 8.471 0.298 1
1 1257 . 2 1 1 A 101 101 GLU HA H 179 4.043 4.000 0.043 1
1 1262 . 2 1 1 A 101 101 GLU C C 179 179.881 179.449 0.432 1
1 1263 . 2 1 1 A 101 101 GLU CA C 179 59.465 59.735 -0.270 1
1 1264 . 2 1 1 A 101 101 GLU CB C 179 29.478 29.158 0.320 1
1 1266 . 2 1 1 A 101 101 GLU N N 179 120.825 117.998 2.827 1
1 1267 . 2 1 1 A 102 102 ASN H H 180 7.865 7.736 0.129 1
1 1268 . 2 1 1 A 102 102 ASN HA H 180 4.329 4.398 -0.069 1
1 1273 . 2 1 1 A 102 102 ASN C C 180 176.692 177.466 -0.774 1
1 1274 . 2 1 1 A 102 102 ASN CA C 180 57.537 55.799 1.738 1
1 1275 . 2 1 1 A 102 102 ASN CB C 180 40.085 38.326 1.759 1
1 1276 . 2 1 1 A 102 102 ASN N N 180 116.591 118.378 -1.787 1
1 1278 . 2 1 1 A 103 103 ALA H H 181 8.744 8.281 0.463 1
1 1279 . 2 1 1 A 103 103 ALA HA H 181 4.130 3.902 0.228 1
1 1283 . 2 1 1 A 103 103 ALA C C 181 179.546 179.570 -0.024 1
1 1284 . 2 1 1 A 103 103 ALA CA C 181 55.148 54.916 0.232 1
1 1285 . 2 1 1 A 103 103 ALA CB C 181 18.154 18.250 -0.096 1
1 1286 . 2 1 1 A 103 103 ALA N N 181 122.431 122.329 0.102 1
1 1287 . 2 1 1 A 104 104 LYS H H 182 8.493 7.853 0.640 1
1 1288 . 2 1 1 A 104 104 LYS HA H 182 3.786 3.859 -0.073 1
1 1297 . 2 1 1 A 104 104 LYS C C 182 180.012 179.056 0.956 1
1 1298 . 2 1 1 A 104 104 LYS CA C 182 58.547 58.931 -0.384 1
1 1299 . 2 1 1 A 104 104 LYS CB C 182 31.194 31.906 -0.712 1
1 1303 . 2 1 1 A 104 104 LYS N N 182 119.195 117.875 1.320 1
1 1304 . 2 1 1 A 105 105 LYS H H 183 7.661 7.754 -0.093 1
1 1305 . 2 1 1 A 105 105 LYS HA H 183 4.111 4.098 0.013 1
1 1314 . 2 1 1 A 105 105 LYS C C 183 178.010 177.881 0.129 1
1 1315 . 2 1 1 A 105 105 LYS CA C 183 58.823 58.424 0.399 1
1 1316 . 2 1 1 A 105 105 LYS CB C 183 32.287 32.503 -0.216 1
1 1320 . 2 1 1 A 105 105 LYS N N 183 120.301 118.011 2.290 1
1 1321 . 2 1 1 A 106 106 LEU H H 184 7.403 7.353 0.050 1
1 1322 . 2 1 1 A 106 106 LEU HA H 184 4.385 4.331 0.054 1
1 1331 . 2 1 1 A 106 106 LEU C C 184 176.332 176.341 -0.009 1
1 1332 . 2 1 1 A 106 106 LEU CA C 184 54.857 54.727 0.130 1
1 1333 . 2 1 1 A 106 106 LEU CB C 184 42.054 42.192 -0.138 1
1 1336 . 2 1 1 A 106 106 LEU N N 184 118.606 118.436 0.170 1
1 1337 . 2 1 1 A 107 107 SER H H 185 8.123 8.004 0.119 1
1 1338 . 2 1 1 A 107 107 SER HA H 185 4.202 4.027 0.175 1
1 1341 . 2 1 1 A 107 107 SER C C 185 174.826 174.468 0.358 1
1 1342 . 2 1 1 A 107 107 SER CA C 185 58.894 58.962 -0.068 1
1 1343 . 2 1 1 A 107 107 SER CB C 185 61.684 61.341 0.343 1
1 1344 . 2 1 1 A 107 107 SER N N 185 113.023 113.994 -0.971 1
1 1345 . 2 1 1 A 108 108 MET H H 186 8.212 8.119 0.093 1
1 1346 . 2 1 1 A 108 108 MET HA H 186 4.188 4.732 -0.544 1
1 1354 . 2 1 1 A 108 108 MET C C 186 174.495 176.224 -1.729 1
1 1355 . 2 1 1 A 108 108 MET CA C 186 57.328 56.356 0.972 1
1 1356 . 2 1 1 A 108 108 MET CB C 186 33.414 35.119 -1.705 1
1 1359 . 2 1 1 A 108 108 MET N N 186 117.267 120.280 -3.013 1
1 4 . 3 1 1 A 2 2 SER HA H 80 4.477 4.286 0.191 1
1 7 . 3 1 1 A 2 2 SER CA C 80 58.344 60.604 -2.260 1
1 8 . 3 1 1 A 2 2 SER CB C 80 64.002 61.936 2.066 1
1 9 . 3 1 1 A 3 3 HIS HA H 81 4.614 4.695 -0.081 1
1 13 . 3 1 1 A 3 3 HIS C C 81 174.681 173.923 0.758 1
1 14 . 3 1 1 A 3 3 HIS CA C 81 56.231 54.555 1.676 1
1 15 . 3 1 1 A 3 3 HIS CB C 81 29.839 27.927 1.912 1
1 17 . 3 1 1 A 4 4 MET H H 82 8.285 7.845 0.440 1
1 18 . 3 1 1 A 4 4 MET HA H 82 4.416 4.697 -0.281 1
1 26 . 3 1 1 A 4 4 MET C C 82 175.286 173.536 1.750 1
1 27 . 3 1 1 A 4 4 MET CA C 82 55.165 54.979 0.186 1
1 28 . 3 1 1 A 4 4 MET CB C 82 32.988 36.013 -3.025 1
1 31 . 3 1 1 A 4 4 MET N N 82 121.559 118.999 2.560 1
1 32 . 3 1 1 A 5 5 ASP H H 83 8.362 8.963 -0.601 1
1 33 . 3 1 1 A 5 5 ASP HA H 83 4.844 5.307 -0.463 1
1 36 . 3 1 1 A 5 5 ASP C C 83 175.239 175.034 0.205 1
1 37 . 3 1 1 A 5 5 ASP CA C 83 52.238 50.620 1.618 1
1 38 . 3 1 1 A 5 5 ASP CB C 83 41.471 42.000 -0.529 1
1 39 . 3 1 1 A 5 5 ASP N N 83 124.060 125.349 -1.289 1
1 40 . 3 1 1 A 6 6 PRO HA H 84 4.327 4.491 -0.164 1
1 47 . 3 1 1 A 6 6 PRO C C 84 177.388 177.517 -0.129 1
1 48 . 3 1 1 A 6 6 PRO CA C 84 64.084 64.246 -0.162 1
1 49 . 3 1 1 A 6 6 PRO CB C 84 32.022 31.920 0.102 1
1 52 . 3 1 1 A 7 7 ALA H H 85 8.406 7.596 0.810 1
1 53 . 3 1 1 A 7 7 ALA HA H 85 4.239 4.267 -0.028 1
1 57 . 3 1 1 A 7 7 ALA C C 85 178.462 177.229 1.233 1
1 58 . 3 1 1 A 7 7 ALA CA C 85 53.223 53.906 -0.683 1
1 59 . 3 1 1 A 7 7 ALA CB C 85 18.801 19.927 -1.126 1
1 60 . 3 1 1 A 7 7 ALA N N 85 121.868 117.756 4.112 1
1 61 . 3 1 1 A 8 8 GLN H H 86 7.985 7.849 0.136 1
1 62 . 3 1 1 A 8 8 GLN HA H 86 4.264 3.915 0.349 1
1 69 . 3 1 1 A 8 8 GLN C C 86 176.124 175.841 0.283 1
1 70 . 3 1 1 A 8 8 GLN CA C 86 56.101 56.586 -0.485 1
1 71 . 3 1 1 A 8 8 GLN CB C 86 29.456 26.377 3.079 1
1 73 . 3 1 1 A 8 8 GLN N N 86 117.727 113.212 4.515 1
1 75 . 3 1 1 A 9 9 LEU H H 87 8.102 8.041 0.061 1
1 76 . 3 1 1 A 9 9 LEU HA H 87 4.394 4.537 -0.143 1
1 86 . 3 1 1 A 9 9 LEU C C 87 177.923 177.973 -0.050 1
1 87 . 3 1 1 A 9 9 LEU CA C 87 55.454 55.464 -0.010 1
1 88 . 3 1 1 A 9 9 LEU CB C 87 42.188 41.676 0.512 1
1 92 . 3 1 1 A 9 9 LEU N N 87 122.045 118.697 3.348 1
1 93 . 3 1 1 A 10 10 THR H H 88 7.902 8.204 -0.302 1
1 94 . 3 1 1 A 10 10 THR HA H 88 4.258 3.922 0.336 1
1 99 . 3 1 1 A 10 10 THR C C 88 175.742 176.494 -0.752 1
1 100 . 3 1 1 A 10 10 THR CA C 88 62.974 65.784 -2.810 1
1 101 . 3 1 1 A 10 10 THR CB C 88 69.759 68.248 1.511 1
1 103 . 3 1 1 A 10 10 THR N N 88 113.859 114.621 -0.762 1
1 104 . 3 1 1 A 11 11 GLU H H 89 8.594 8.375 0.219 1
1 105 . 3 1 1 A 11 11 GLU HA H 89 4.213 3.943 0.270 1
1 110 . 3 1 1 A 11 11 GLU C C 89 177.577 178.167 -0.590 1
1 111 . 3 1 1 A 11 11 GLU CA C 89 58.496 59.290 -0.794 1
1 112 . 3 1 1 A 11 11 GLU CB C 89 29.751 29.419 0.332 1
1 114 . 3 1 1 A 11 11 GLU N N 89 122.144 121.997 0.147 1
1 115 . 3 1 1 A 12 12 ASP H H 90 8.244 7.848 0.396 1
1 116 . 3 1 1 A 12 12 ASP HA H 90 4.419 4.438 -0.019 1
1 119 . 3 1 1 A 12 12 ASP C C 90 178.623 178.650 -0.027 1
1 120 . 3 1 1 A 12 12 ASP CA C 90 56.589 57.546 -0.957 1
1 121 . 3 1 1 A 12 12 ASP CB C 90 40.332 41.372 -1.040 1
1 122 . 3 1 1 A 12 12 ASP N N 90 119.922 120.154 -0.232 1
1 123 . 3 1 1 A 13 13 ILE H H 91 8.092 7.980 0.112 1
1 124 . 3 1 1 A 13 13 ILE HA H 91 3.987 3.734 0.253 1
1 134 . 3 1 1 A 13 13 ILE C C 91 177.124 178.249 -1.125 1
1 135 . 3 1 1 A 13 13 ILE CA C 91 63.562 65.099 -1.537 1
1 136 . 3 1 1 A 13 13 ILE CB C 91 37.830 37.271 0.559 1
1 140 . 3 1 1 A 13 13 ILE N N 91 122.909 119.255 3.654 1
1 141 . 3 1 1 A 14 14 THR H H 92 8.045 8.724 -0.679 1
1 142 . 3 1 1 A 14 14 THR HA H 92 4.040 3.868 0.172 1
1 147 . 3 1 1 A 14 14 THR C C 92 177.358 176.889 0.469 1
1 148 . 3 1 1 A 14 14 THR CA C 92 66.244 65.494 0.750 1
1 149 . 3 1 1 A 14 14 THR CB C 92 68.629 69.010 -0.381 1
1 151 . 3 1 1 A 14 14 THR N N 92 116.529 114.400 2.129 1
1 152 . 3 1 1 A 15 15 ARG H H 93 7.984 8.240 -0.256 1
1 153 . 3 1 1 A 15 15 ARG HA H 93 3.974 3.937 0.037 1
1 161 . 3 1 1 A 15 15 ARG C C 93 177.719 178.035 -0.316 1
1 162 . 3 1 1 A 15 15 ARG CA C 93 60.312 59.514 0.798 1
1 163 . 3 1 1 A 15 15 ARG CB C 93 30.591 29.810 0.781 1
1 166 . 3 1 1 A 15 15 ARG N N 93 121.521 121.271 0.250 1
1 167 . 3 1 1 A 16 16 TYR H H 94 7.948 7.949 -0.001 1
1 168 . 3 1 1 A 16 16 TYR HA H 94 4.045 4.344 -0.299 1
1 175 . 3 1 1 A 16 16 TYR C C 94 177.690 177.320 0.370 1
1 176 . 3 1 1 A 16 16 TYR CA C 94 61.568 61.467 0.101 1
1 177 . 3 1 1 A 16 16 TYR CB C 94 37.543 38.661 -1.118 1
1 182 . 3 1 1 A 16 16 TYR N N 94 120.911 120.330 0.581 1
1 183 . 3 1 1 A 17 17 TYR H H 95 8.143 8.341 -0.198 1
1 184 . 3 1 1 A 17 17 TYR HA H 95 4.049 4.093 -0.044 1
1 191 . 3 1 1 A 17 17 TYR C C 95 179.000 178.328 0.672 1
1 192 . 3 1 1 A 17 17 TYR CA C 95 61.454 61.122 0.332 1
1 193 . 3 1 1 A 17 17 TYR CB C 95 37.483 37.490 -0.007 1
1 198 . 3 1 1 A 17 17 TYR N N 95 117.066 118.065 -0.999 1
1 199 . 3 1 1 A 18 18 LEU H H 96 7.976 8.583 -0.607 1
1 200 . 3 1 1 A 18 18 LEU HA H 96 4.203 4.142 0.061 1
1 210 . 3 1 1 A 18 18 LEU C C 96 178.998 178.342 0.656 1
1 211 . 3 1 1 A 18 18 LEU CA C 96 58.097 57.983 0.114 1
1 212 . 3 1 1 A 18 18 LEU CB C 96 41.814 41.968 -0.154 1
1 216 . 3 1 1 A 18 18 LEU N N 96 123.012 121.371 1.641 1
1 217 . 3 1 1 A 19 19 CYS H H 97 8.163 8.541 -0.378 1
1 218 . 3 1 1 A 19 19 CYS HA H 97 3.783 3.986 -0.203 1
1 221 . 3 1 1 A 19 19 CYS C C 97 176.663 176.960 -0.297 1
1 222 . 3 1 1 A 19 19 CYS CA C 97 64.973 63.114 1.859 1
1 223 . 3 1 1 A 19 19 CYS CB C 97 25.966 27.117 -1.151 1
1 224 . 3 1 1 A 19 19 CYS N N 97 117.202 117.688 -0.486 1
1 225 . 3 1 1 A 20 20 LEU H H 98 7.863 8.021 -0.158 1
1 226 . 3 1 1 A 20 20 LEU HA H 98 3.681 3.783 -0.102 1
1 236 . 3 1 1 A 20 20 LEU C C 98 179.392 179.426 -0.034 1
1 237 . 3 1 1 A 20 20 LEU CA C 98 58.319 57.990 0.329 1
1 238 . 3 1 1 A 20 20 LEU CB C 98 41.944 41.105 0.839 1
1 242 . 3 1 1 A 20 20 LEU N N 98 118.833 120.259 -1.426 1
1 243 . 3 1 1 A 21 21 GLN H H 99 7.658 7.747 -0.089 1
1 244 . 3 1 1 A 21 21 GLN HA H 99 3.909 3.982 -0.073 1
1 251 . 3 1 1 A 21 21 GLN C C 99 178.326 178.908 -0.582 1
1 252 . 3 1 1 A 21 21 GLN CA C 99 58.704 58.262 0.442 1
1 253 . 3 1 1 A 21 21 GLN CB C 99 28.630 28.354 0.276 1
1 255 . 3 1 1 A 21 21 GLN N N 99 118.958 118.121 0.837 1
1 257 . 3 1 1 A 22 22 LEU H H 100 8.214 8.685 -0.471 1
1 258 . 3 1 1 A 22 22 LEU HA H 100 4.150 3.951 0.199 1
1 268 . 3 1 1 A 22 22 LEU C C 100 179.438 179.184 0.254 1
1 269 . 3 1 1 A 22 22 LEU CA C 100 58.320 57.931 0.389 1
1 270 . 3 1 1 A 22 22 LEU CB C 100 42.816 41.434 1.382 1
1 274 . 3 1 1 A 22 22 LEU N N 100 119.829 119.675 0.154 1
1 275 . 3 1 1 A 23 23 ARG H H 101 8.722 8.439 0.283 1
1 276 . 3 1 1 A 23 23 ARG HA H 101 3.946 4.025 -0.079 1
1 284 . 3 1 1 A 23 23 ARG C C 101 179.448 178.842 0.606 1
1 285 . 3 1 1 A 23 23 ARG CA C 101 60.910 59.412 1.498 1
1 286 . 3 1 1 A 23 23 ARG CB C 101 29.853 29.683 0.170 1
1 288 . 3 1 1 A 23 23 ARG N N 101 117.690 119.030 -1.340 1
1 289 . 3 1 1 A 24 24 GLN H H 102 7.804 7.652 0.152 1
1 290 . 3 1 1 A 24 24 GLN HA H 102 4.015 4.041 -0.026 1
1 297 . 3 1 1 A 24 24 GLN C C 102 178.951 178.670 0.281 1
1 298 . 3 1 1 A 24 24 GLN CA C 102 58.785 58.464 0.321 1
1 299 . 3 1 1 A 24 24 GLN CB C 102 28.263 28.093 0.170 1
1 301 . 3 1 1 A 24 24 GLN N N 102 117.686 118.240 -0.554 1
1 303 . 3 1 1 A 25 25 ASP H H 103 8.393 7.827 0.566 1
1 304 . 3 1 1 A 25 25 ASP HA H 103 4.414 4.479 -0.065 1
1 307 . 3 1 1 A 25 25 ASP C C 103 179.476 178.940 0.536 1
1 308 . 3 1 1 A 25 25 ASP CA C 103 57.753 57.514 0.239 1
1 309 . 3 1 1 A 25 25 ASP CB C 103 40.432 40.600 -0.168 1
1 310 . 3 1 1 A 25 25 ASP N N 103 122.118 120.435 1.683 1
1 311 . 3 1 1 A 26 26 ILE H H 104 8.737 7.599 1.138 1
1 312 . 3 1 1 A 26 26 ILE HA H 104 3.761 3.628 0.133 1
1 320 . 3 1 1 A 26 26 ILE C C 104 180.320 178.002 2.318 1
1 321 . 3 1 1 A 26 26 ILE CA C 104 65.902 65.105 0.797 1
1 322 . 3 1 1 A 26 26 ILE CB C 104 38.826 37.954 0.872 1
1 325 . 3 1 1 A 26 26 ILE N N 104 122.668 120.442 2.226 1
1 326 . 3 1 1 A 27 27 VAL H H 105 7.923 7.773 0.150 1
1 327 . 3 1 1 A 27 27 VAL HA H 105 3.077 3.908 -0.831 1
1 335 . 3 1 1 A 27 27 VAL C C 105 176.073 177.892 -1.819 1
1 336 . 3 1 1 A 27 27 VAL CA C 105 67.080 64.691 2.389 1
1 337 . 3 1 1 A 27 27 VAL CB C 105 31.450 31.570 -0.120 1
1 340 . 3 1 1 A 27 27 VAL N N 105 121.194 116.594 4.600 1
1 341 . 3 1 1 A 28 28 ALA H H 106 7.892 7.184 0.708 1
1 342 . 3 1 1 A 28 28 ALA HA H 106 4.286 4.294 -0.008 1
1 346 . 3 1 1 A 28 28 ALA C C 106 178.366 177.774 0.592 1
1 347 . 3 1 1 A 28 28 ALA CA C 106 52.572 51.988 0.584 1
1 348 . 3 1 1 A 28 28 ALA CB C 106 19.616 19.400 0.216 1
1 349 . 3 1 1 A 28 28 ALA N N 106 117.103 121.779 -4.676 1
1 350 . 3 1 1 A 29 29 GLY H H 107 7.670 8.020 -0.350 1
1 351 . 3 1 1 A 29 29 GLY HA2 H 107 4.181 3.916 0.265 1
1 352 . 3 1 1 A 29 29 GLY HA3 H 107 3.924 3.917 0.007 1
1 353 . 3 1 1 A 29 29 GLY C C 107 174.596 175.212 -0.616 1
1 354 . 3 1 1 A 29 29 GLY CA C 107 45.157 46.514 -1.357 1
1 355 . 3 1 1 A 29 29 GLY N N 107 105.038 107.085 -2.047 1
1 356 . 3 1 1 A 30 30 ARG H H 108 7.972 8.348 -0.376 1
1 357 . 3 1 1 A 30 30 ARG HA H 108 4.185 4.346 -0.161 1
1 365 . 3 1 1 A 30 30 ARG C C 108 175.874 175.271 0.603 1
1 366 . 3 1 1 A 30 30 ARG CA C 108 57.987 56.362 1.625 1
1 367 . 3 1 1 A 30 30 ARG CB C 108 31.218 30.837 0.381 1
1 370 . 3 1 1 A 30 30 ARG N N 108 118.333 118.186 0.147 1
1 371 . 3 1 1 A 31 31 LEU H H 109 6.696 7.543 -0.847 1
1 372 . 3 1 1 A 31 31 LEU HA H 109 4.939 4.752 0.187 1
1 382 . 3 1 1 A 31 31 LEU C C 109 173.324 174.462 -1.138 1
1 383 . 3 1 1 A 31 31 LEU CA C 109 50.930 51.617 -0.687 1
1 384 . 3 1 1 A 31 31 LEU CB C 109 43.480 44.498 -1.018 1
1 388 . 3 1 1 A 31 31 LEU N N 109 118.681 120.436 -1.755 1
1 389 . 3 1 1 A 32 32 PRO HA H 110 4.411 4.493 -0.082 1
1 396 . 3 1 1 A 32 32 PRO C C 110 176.694 176.039 0.655 1
1 397 . 3 1 1 A 32 32 PRO CA C 110 63.123 63.229 -0.106 1
1 398 . 3 1 1 A 32 32 PRO CB C 110 32.022 32.092 -0.070 1
1 401 . 3 1 1 A 33 33 CYS H H 111 8.273 8.446 -0.173 1
1 402 . 3 1 1 A 33 33 CYS HA H 111 4.834 4.962 -0.128 1
1 405 . 3 1 1 A 33 33 CYS C C 111 173.523 173.079 0.444 1
1 406 . 3 1 1 A 33 33 CYS CA C 111 57.890 58.184 -0.294 1
1 407 . 3 1 1 A 33 33 CYS CB C 111 32.282 32.859 -0.577 1
1 408 . 3 1 1 A 33 33 CYS N N 111 119.113 122.237 -3.124 1
1 409 . 3 1 1 A 34 34 SER H H 112 8.738 8.311 0.427 1
1 410 . 3 1 1 A 34 34 SER HA H 112 4.527 5.037 -0.510 1
1 413 . 3 1 1 A 34 34 SER C C 112 173.709 175.157 -1.448 1
1 414 . 3 1 1 A 34 34 SER CA C 112 57.256 56.162 1.094 1
1 415 . 3 1 1 A 34 34 SER CB C 112 65.433 66.387 -0.954 1
1 416 . 3 1 1 A 34 34 SER N N 112 118.212 114.852 3.360 1
1 417 . 3 1 1 A 35 35 PHE H H 113 9.027 9.272 -0.245 1
1 418 . 3 1 1 A 35 35 PHE HA H 113 4.047 4.058 -0.011 1
1 426 . 3 1 1 A 35 35 PHE C C 113 176.433 177.225 -0.792 1
1 427 . 3 1 1 A 35 35 PHE CA C 113 62.623 62.691 -0.068 1
1 428 . 3 1 1 A 35 35 PHE CB C 113 39.128 39.772 -0.644 1
1 434 . 3 1 1 A 35 35 PHE N N 113 122.209 122.291 -0.082 1
1 435 . 3 1 1 A 36 36 ALA H H 114 8.631 8.349 0.282 1
1 436 . 3 1 1 A 36 36 ALA HA H 114 3.926 4.059 -0.133 1
1 440 . 3 1 1 A 36 36 ALA C C 114 181.064 179.907 1.157 1
1 441 . 3 1 1 A 36 36 ALA CA C 114 55.300 55.244 0.056 1
1 442 . 3 1 1 A 36 36 ALA CB C 114 18.423 18.504 -0.081 1
1 443 . 3 1 1 A 36 36 ALA N N 114 118.977 121.210 -2.233 1
1 444 . 3 1 1 A 37 37 THR H H 115 7.886 7.912 -0.026 1
1 445 . 3 1 1 A 37 37 THR HA H 115 3.859 3.971 -0.112 1
1 450 . 3 1 1 A 37 37 THR C C 115 175.630 176.646 -1.016 1
1 451 . 3 1 1 A 37 37 THR CA C 115 66.294 66.714 -0.420 1
1 452 . 3 1 1 A 37 37 THR CB C 115 68.298 67.877 0.421 1
1 454 . 3 1 1 A 37 37 THR N N 115 117.602 114.916 2.686 1
1 455 . 3 1 1 A 38 38 LEU H H 116 8.740 8.194 0.546 1
1 456 . 3 1 1 A 38 38 LEU HA H 116 3.904 3.939 -0.035 1
1 466 . 3 1 1 A 38 38 LEU C C 116 180.666 179.163 1.503 1
1 467 . 3 1 1 A 38 38 LEU CA C 116 58.166 57.794 0.372 1
1 468 . 3 1 1 A 38 38 LEU CB C 116 43.034 41.263 1.771 1
1 472 . 3 1 1 A 38 38 LEU N N 116 122.945 121.293 1.652 1
1 473 . 3 1 1 A 39 39 ALA H H 117 8.151 8.133 0.018 1
1 474 . 3 1 1 A 39 39 ALA HA H 117 3.776 3.884 -0.108 1
1 478 . 3 1 1 A 39 39 ALA C C 117 178.461 179.816 -1.355 1
1 479 . 3 1 1 A 39 39 ALA CA C 117 53.839 54.856 -1.017 1
1 480 . 3 1 1 A 39 39 ALA CB C 117 17.406 18.169 -0.763 1
1 481 . 3 1 1 A 39 39 ALA N N 117 120.752 121.646 -0.894 1
1 482 . 3 1 1 A 40 40 LEU H H 118 7.801 8.082 -0.281 1
1 483 . 3 1 1 A 40 40 LEU HA H 118 3.892 4.032 -0.140 1
1 492 . 3 1 1 A 40 40 LEU C C 118 180.428 178.609 1.819 1
1 493 . 3 1 1 A 40 40 LEU CA C 118 57.978 57.909 0.069 1
1 494 . 3 1 1 A 40 40 LEU CB C 118 42.699 42.013 0.686 1
1 497 . 3 1 1 A 40 40 LEU N N 118 119.699 120.292 -0.593 1
1 498 . 3 1 1 A 41 41 LEU H H 119 9.153 8.847 0.306 1
1 499 . 3 1 1 A 41 41 LEU HA H 119 4.181 4.410 -0.229 1
1 509 . 3 1 1 A 41 41 LEU C C 119 179.132 179.322 -0.190 1
1 510 . 3 1 1 A 41 41 LEU CA C 119 58.696 58.304 0.392 1
1 511 . 3 1 1 A 41 41 LEU CB C 119 39.102 41.867 -2.765 1
1 515 . 3 1 1 A 41 41 LEU N N 119 118.687 119.338 -0.651 1
1 516 . 3 1 1 A 42 42 GLY H H 120 8.253 8.113 0.140 1
1 517 . 3 1 1 A 42 42 GLY HA2 H 120 4.016 3.725 0.291 1
1 518 . 3 1 1 A 42 42 GLY HA3 H 120 3.610 3.751 -0.141 1
1 519 . 3 1 1 A 42 42 GLY C C 120 175.046 176.317 -1.271 1
1 520 . 3 1 1 A 42 42 GLY CA C 120 48.060 47.436 0.624 1
1 521 . 3 1 1 A 42 42 GLY N N 120 106.562 106.923 -0.361 1
1 522 . 3 1 1 A 43 43 SER H H 121 8.456 8.365 0.091 1
1 523 . 3 1 1 A 43 43 SER HA H 121 3.928 4.059 -0.131 1
1 526 . 3 1 1 A 43 43 SER C C 121 175.318 176.186 -0.868 1
1 527 . 3 1 1 A 43 43 SER CA C 121 62.651 62.900 -0.249 1
1 528 . 3 1 1 A 43 43 SER CB C 121 62.722 63.312 -0.590 1
1 529 . 3 1 1 A 43 43 SER N N 121 117.787 118.549 -0.762 1
1 530 . 3 1 1 A 44 44 TYR H H 122 7.311 7.590 -0.279 1
1 531 . 3 1 1 A 44 44 TYR HA H 122 4.635 4.253 0.382 1
1 538 . 3 1 1 A 44 44 TYR C C 122 178.731 178.203 0.528 1
1 539 . 3 1 1 A 44 44 TYR CA C 122 61.704 60.599 1.105 1
1 540 . 3 1 1 A 44 44 TYR CB C 122 38.809 38.019 0.790 1
1 545 . 3 1 1 A 44 44 TYR N N 122 123.923 120.376 3.547 1
1 546 . 3 1 1 A 45 45 THR H H 123 8.748 8.157 0.591 1
1 547 . 3 1 1 A 45 45 THR HA H 123 3.747 4.180 -0.433 1
1 552 . 3 1 1 A 45 45 THR C C 123 175.781 176.729 -0.948 1
1 553 . 3 1 1 A 45 45 THR CA C 123 67.015 67.131 -0.116 1
1 554 . 3 1 1 A 45 45 THR CB C 123 67.670 68.098 -0.428 1
1 556 . 3 1 1 A 45 45 THR N N 123 121.374 114.943 6.431 1
1 557 . 3 1 1 A 46 46 ILE H H 124 8.131 8.022 0.109 1
1 558 . 3 1 1 A 46 46 ILE HA H 124 3.161 3.138 0.023 1
1 568 . 3 1 1 A 46 46 ILE C C 124 177.130 177.764 -0.634 1
1 569 . 3 1 1 A 46 46 ILE CA C 124 62.478 65.457 -2.979 1
1 570 . 3 1 1 A 46 46 ILE CB C 124 35.268 37.543 -2.275 1
1 574 . 3 1 1 A 46 46 ILE N N 124 119.593 121.548 -1.955 1
1 575 . 3 1 1 A 47 47 GLN H H 125 7.871 7.830 0.041 1
1 576 . 3 1 1 A 47 47 GLN HA H 125 4.110 3.360 0.750 1
1 583 . 3 1 1 A 47 47 GLN C C 125 178.150 177.839 0.311 1
1 584 . 3 1 1 A 47 47 GLN CA C 125 58.333 58.168 0.165 1
1 585 . 3 1 1 A 47 47 GLN CB C 125 27.448 27.873 -0.425 1
1 587 . 3 1 1 A 47 47 GLN N N 125 121.155 120.222 0.933 1
1 589 . 3 1 1 A 48 48 SER H H 126 8.194 8.251 -0.057 1
1 590 . 3 1 1 A 48 48 SER HA H 126 4.055 4.227 -0.172 1
1 593 . 3 1 1 A 48 48 SER C C 126 176.209 177.241 -1.032 1
1 594 . 3 1 1 A 48 48 SER CA C 126 60.823 60.941 -0.118 1
1 595 . 3 1 1 A 48 48 SER CB C 126 63.592 62.611 0.981 1
1 596 . 3 1 1 A 48 48 SER N N 126 111.964 115.716 -3.752 1
1 597 . 3 1 1 A 49 49 GLU H H 127 8.009 8.106 -0.097 1
1 598 . 3 1 1 A 49 49 GLU HA H 127 4.296 4.219 0.077 1
1 603 . 3 1 1 A 49 49 GLU C C 127 178.319 177.941 0.378 1
1 604 . 3 1 1 A 49 49 GLU CA C 127 58.376 58.639 -0.263 1
1 605 . 3 1 1 A 49 49 GLU CB C 127 30.928 30.027 0.901 1
1 607 . 3 1 1 A 49 49 GLU N N 127 116.052 121.435 -5.383 1
1 608 . 3 1 1 A 50 50 LEU H H 128 8.916 8.448 0.468 1
1 609 . 3 1 1 A 50 50 LEU HA H 128 4.549 4.580 -0.031 1
1 619 . 3 1 1 A 50 50 LEU C C 128 178.447 177.441 1.006 1
1 620 . 3 1 1 A 50 50 LEU CA C 128 55.159 54.501 0.658 1
1 621 . 3 1 1 A 50 50 LEU CB C 128 43.500 42.860 0.640 1
1 625 . 3 1 1 A 50 50 LEU N N 128 117.044 116.535 0.509 1
1 626 . 3 1 1 A 51 51 GLY H H 129 7.710 8.149 -0.439 1
1 627 . 3 1 1 A 51 51 GLY HA2 H 129 4.261 4.058 0.203 1
1 628 . 3 1 1 A 51 51 GLY HA3 H 129 3.994 4.059 -0.065 1
1 629 . 3 1 1 A 51 51 GLY C C 129 172.406 173.903 -1.497 1
1 630 . 3 1 1 A 51 51 GLY CA C 129 44.162 45.800 -1.638 1
1 631 . 3 1 1 A 51 51 GLY N N 129 109.110 107.505 1.605 1
1 632 . 3 1 1 A 52 52 ASP H H 130 8.131 8.670 -0.539 1
1 633 . 3 1 1 A 52 52 ASP HA H 130 4.577 4.597 -0.020 1
1 636 . 3 1 1 A 52 52 ASP C C 130 176.862 176.119 0.743 1
1 637 . 3 1 1 A 52 52 ASP CA C 130 54.581 55.244 -0.663 1
1 638 . 3 1 1 A 52 52 ASP CB C 130 41.028 41.356 -0.328 1
1 639 . 3 1 1 A 52 52 ASP N N 130 118.844 123.487 -4.643 1
1 640 . 3 1 1 A 53 53 TYR H H 131 8.732 8.444 0.288 1
1 641 . 3 1 1 A 53 53 TYR HA H 131 4.410 3.929 0.481 1
1 648 . 3 1 1 A 53 53 TYR C C 131 174.929 174.349 0.580 1
1 649 . 3 1 1 A 53 53 TYR CA C 131 58.452 59.391 -0.939 1
1 650 . 3 1 1 A 53 53 TYR CB C 131 37.536 39.030 -1.494 1
1 655 . 3 1 1 A 53 53 TYR N N 131 121.518 123.096 -1.578 1
1 656 . 3 1 1 A 54 54 ASP H H 132 9.981 7.345 2.636 1
1 657 . 3 1 1 A 54 54 ASP HA H 132 4.652 5.026 -0.374 1
1 660 . 3 1 1 A 54 54 ASP CA C 132 49.843 50.613 -0.770 1
1 661 . 3 1 1 A 54 54 ASP CB C 132 42.737 41.484 1.253 1
1 662 . 3 1 1 A 54 54 ASP N N 132 132.995 126.968 6.027 1
1 663 . 3 1 1 A 55 55 PRO HA H 133 4.117 4.021 0.096 1
1 670 . 3 1 1 A 55 55 PRO C C 133 178.353 178.647 -0.294 1
1 671 . 3 1 1 A 55 55 PRO CA C 133 64.216 65.724 -1.508 1
1 672 . 3 1 1 A 55 55 PRO CB C 133 32.133 31.403 0.730 1
1 675 . 3 1 1 A 56 56 GLU H H 134 7.968 8.864 -0.896 1
1 676 . 3 1 1 A 56 56 GLU HA H 134 4.047 4.098 -0.051 1
1 681 . 3 1 1 A 56 56 GLU C C 134 177.001 179.000 -1.999 1
1 682 . 3 1 1 A 56 56 GLU CA C 134 57.984 58.456 -0.472 1
1 683 . 3 1 1 A 56 56 GLU CB C 134 29.667 29.453 0.214 1
1 685 . 3 1 1 A 56 56 GLU N N 134 116.491 116.203 0.288 1
1 686 . 3 1 1 A 57 57 LEU H H 135 7.137 7.943 -0.806 1
1 687 . 3 1 1 A 57 57 LEU HA H 135 4.186 4.020 0.166 1
1 697 . 3 1 1 A 57 57 LEU C C 135 177.695 177.588 0.107 1
1 698 . 3 1 1 A 57 57 LEU CA C 135 55.372 57.696 -2.324 1
1 699 . 3 1 1 A 57 57 LEU CB C 135 43.889 41.830 2.059 1
1 703 . 3 1 1 A 57 57 LEU N N 135 118.254 122.281 -4.027 1
1 704 . 3 1 1 A 58 58 HIS H H 136 8.121 7.820 0.301 1
1 705 . 3 1 1 A 58 58 HIS HA H 136 4.560 4.643 -0.083 1
1 709 . 3 1 1 A 58 58 HIS C C 136 176.135 175.345 0.790 1
1 710 . 3 1 1 A 58 58 HIS CA C 136 56.134 57.660 -1.526 1
1 711 . 3 1 1 A 58 58 HIS CB C 136 31.534 30.533 1.001 1
1 713 . 3 1 1 A 58 58 HIS N N 136 120.254 112.871 7.383 1
1 714 . 3 1 1 A 59 59 GLY H H 137 7.890 7.037 0.853 1
1 715 . 3 1 1 A 59 59 GLY HA2 H 137 4.166 4.167 -0.001 1
1 716 . 3 1 1 A 59 59 GLY HA3 H 137 3.990 4.216 -0.226 1
1 717 . 3 1 1 A 59 59 GLY C C 137 175.021 173.895 1.126 1
1 718 . 3 1 1 A 59 59 GLY CA C 137 45.431 45.259 0.172 1
1 719 . 3 1 1 A 59 59 GLY N N 137 108.183 103.904 4.279 1
1 720 . 3 1 1 A 60 60 VAL H H 138 8.519 8.704 -0.185 1
1 721 . 3 1 1 A 60 60 VAL HA H 138 4.503 4.469 0.034 1
1 729 . 3 1 1 A 60 60 VAL C C 138 176.419 175.691 0.728 1
1 730 . 3 1 1 A 60 60 VAL CA C 138 62.905 61.986 0.919 1
1 731 . 3 1 1 A 60 60 VAL CB C 138 32.421 33.731 -1.310 1
1 734 . 3 1 1 A 60 60 VAL N N 138 116.738 123.267 -6.529 1
1 735 . 3 1 1 A 61 61 ASP H H 139 8.525 7.967 0.558 1
1 736 . 3 1 1 A 61 61 ASP HA H 139 4.959 4.808 0.151 1
1 739 . 3 1 1 A 61 61 ASP C C 139 177.816 176.593 1.223 1
1 740 . 3 1 1 A 61 61 ASP CA C 139 54.278 53.044 1.234 1
1 741 . 3 1 1 A 61 61 ASP CB C 139 40.771 41.161 -0.390 1
1 742 . 3 1 1 A 61 61 ASP N N 139 120.408 121.787 -1.379 1
1 743 . 3 1 1 A 62 62 TYR H H 140 7.553 8.128 -0.575 1
1 744 . 3 1 1 A 62 62 TYR HA H 140 4.611 4.504 0.107 1
1 751 . 3 1 1 A 62 62 TYR C C 140 176.791 178.252 -1.461 1
1 752 . 3 1 1 A 62 62 TYR CA C 140 59.811 60.058 -0.247 1
1 753 . 3 1 1 A 62 62 TYR CB C 140 37.453 37.759 -0.306 1
1 758 . 3 1 1 A 62 62 TYR N N 140 118.187 120.530 -2.343 1
1 759 . 3 1 1 A 63 63 VAL H H 141 7.645 7.911 -0.266 1
1 760 . 3 1 1 A 63 63 VAL HA H 141 3.861 3.724 0.137 1
1 768 . 3 1 1 A 63 63 VAL C C 141 176.409 178.226 -1.817 1
1 769 . 3 1 1 A 63 63 VAL CA C 141 63.504 66.481 -2.977 1
1 770 . 3 1 1 A 63 63 VAL CB C 141 31.598 31.233 0.365 1
1 773 . 3 1 1 A 63 63 VAL N N 141 118.945 122.020 -3.075 1
1 774 . 3 1 1 A 64 64 SER H H 142 7.611 8.096 -0.485 1
1 775 . 3 1 1 A 64 64 SER HA H 142 4.234 4.278 -0.044 1
1 778 . 3 1 1 A 64 64 SER C C 142 175.035 176.002 -0.967 1
1 779 . 3 1 1 A 64 64 SER CA C 142 60.628 61.002 -0.374 1
1 780 . 3 1 1 A 64 64 SER CB C 142 63.183 63.019 0.164 1
1 781 . 3 1 1 A 64 64 SER N N 142 113.661 116.034 -2.373 1
1 782 . 3 1 1 A 65 65 ASP H H 143 7.440 8.095 -0.655 1
1 783 . 3 1 1 A 65 65 ASP HA H 143 4.568 4.455 0.113 1
1 786 . 3 1 1 A 65 65 ASP C C 143 175.376 176.004 -0.628 1
1 787 . 3 1 1 A 65 65 ASP CA C 143 55.077 55.806 -0.729 1
1 788 . 3 1 1 A 65 65 ASP CB C 143 40.913 41.472 -0.559 1
1 789 . 3 1 1 A 65 65 ASP N N 143 118.332 119.995 -1.663 1
1 790 . 3 1 1 A 66 66 PHE H H 144 8.115 7.873 0.242 1
1 791 . 3 1 1 A 66 66 PHE HA H 144 4.369 4.921 -0.552 1
1 798 . 3 1 1 A 66 66 PHE C C 144 174.524 175.067 -0.543 1
1 799 . 3 1 1 A 66 66 PHE CA C 144 57.705 57.445 0.260 1
1 800 . 3 1 1 A 66 66 PHE CB C 144 41.033 40.482 0.551 1
1 805 . 3 1 1 A 66 66 PHE N N 144 120.277 116.769 3.508 1
1 806 . 3 1 1 A 67 67 LYS H H 145 8.688 8.883 -0.195 1
1 807 . 3 1 1 A 67 67 LYS HA H 145 4.671 4.428 0.243 1
1 816 . 3 1 1 A 67 67 LYS C C 145 175.437 176.340 -0.903 1
1 817 . 3 1 1 A 67 67 LYS CA C 145 55.418 56.101 -0.683 1
1 818 . 3 1 1 A 67 67 LYS CB C 145 31.784 31.669 0.115 1
1 822 . 3 1 1 A 67 67 LYS N N 145 122.931 124.952 -2.021 1
1 823 . 3 1 1 A 68 68 LEU H H 146 9.642 8.571 1.071 1
1 824 . 3 1 1 A 68 68 LEU HA H 146 4.484 4.397 0.087 1
1 834 . 3 1 1 A 68 68 LEU C C 146 175.512 176.535 -1.023 1
1 835 . 3 1 1 A 68 68 LEU CA C 146 54.375 56.009 -1.634 1
1 836 . 3 1 1 A 68 68 LEU CB C 146 44.114 42.548 1.566 1
1 840 . 3 1 1 A 68 68 LEU N N 146 123.156 126.819 -3.663 1
1 841 . 3 1 1 A 69 69 ALA H H 147 7.586 7.475 0.111 1
1 842 . 3 1 1 A 69 69 ALA HA H 147 4.597 4.599 -0.002 1
1 846 . 3 1 1 A 69 69 ALA C C 147 173.720 176.911 -3.191 1
1 847 . 3 1 1 A 69 69 ALA CA C 147 49.637 50.609 -0.972 1
1 848 . 3 1 1 A 69 69 ALA CB C 147 22.691 21.383 1.308 1
1 849 . 3 1 1 A 69 69 ALA N N 147 117.486 117.148 0.338 1
1 850 . 3 1 1 A 70 70 PRO HA H 148 4.578 4.410 0.168 1
1 857 . 3 1 1 A 70 70 PRO C C 148 176.996 176.819 0.177 1
1 858 . 3 1 1 A 70 70 PRO CA C 148 64.435 64.849 -0.414 1
1 859 . 3 1 1 A 70 70 PRO CB C 148 31.448 32.100 -0.652 1
1 862 . 3 1 1 A 71 71 ASN H H 149 8.221 8.343 -0.122 1
1 863 . 3 1 1 A 71 71 ASN HA H 149 4.783 4.916 -0.133 1
1 868 . 3 1 1 A 71 71 ASN C C 149 173.865 174.183 -0.318 1
1 869 . 3 1 1 A 71 71 ASN CA C 149 52.308 52.339 -0.031 1
1 870 . 3 1 1 A 71 71 ASN CB C 149 38.065 38.556 -0.491 1
1 871 . 3 1 1 A 71 71 ASN N N 149 116.940 115.831 1.109 1
1 873 . 3 1 1 A 72 72 GLN H H 150 8.467 8.722 -0.255 1
1 874 . 3 1 1 A 72 72 GLN HA H 150 3.962 4.527 -0.565 1
1 881 . 3 1 1 A 72 72 GLN C C 150 174.832 174.678 0.154 1
1 882 . 3 1 1 A 72 72 GLN CA C 150 57.793 56.206 1.587 1
1 883 . 3 1 1 A 72 72 GLN CB C 150 29.029 29.351 -0.322 1
1 885 . 3 1 1 A 72 72 GLN N N 150 123.793 123.026 0.767 1
1 887 . 3 1 1 A 73 73 THR H H 151 7.040 8.332 -1.292 1
1 888 . 3 1 1 A 73 73 THR HA H 151 4.668 4.847 -0.179 1
1 893 . 3 1 1 A 73 73 THR C C 151 175.175 175.267 -0.092 1
1 894 . 3 1 1 A 73 73 THR CA C 151 59.504 59.675 -0.171 1
1 895 . 3 1 1 A 73 73 THR CB C 151 72.544 71.151 1.393 1
1 897 . 3 1 1 A 73 73 THR N N 151 115.239 121.381 -6.142 1
1 898 . 3 1 1 A 74 74 LYS H H 152 8.949 9.121 -0.172 1
1 899 . 3 1 1 A 74 74 LYS HA H 152 4.109 4.309 -0.200 1
1 908 . 3 1 1 A 74 74 LYS C C 152 178.758 178.383 0.375 1
1 909 . 3 1 1 A 74 74 LYS CA C 152 58.521 60.357 -1.836 1
1 910 . 3 1 1 A 74 74 LYS CB C 152 31.372 32.026 -0.654 1
1 914 . 3 1 1 A 74 74 LYS N N 152 122.065 127.295 -5.230 1
1 915 . 3 1 1 A 75 75 GLU H H 153 8.762 8.569 0.193 1
1 916 . 3 1 1 A 75 75 GLU HA H 153 4.098 4.108 -0.010 1
1 921 . 3 1 1 A 75 75 GLU C C 153 179.947 179.671 0.276 1
1 922 . 3 1 1 A 75 75 GLU CA C 153 60.405 59.312 1.093 1
1 923 . 3 1 1 A 75 75 GLU CB C 153 28.999 29.385 -0.386 1
1 925 . 3 1 1 A 75 75 GLU N N 153 118.335 120.557 -2.222 1
1 926 . 3 1 1 A 76 76 LEU H H 154 7.726 8.101 -0.375 1
1 927 . 3 1 1 A 76 76 LEU HA H 154 4.061 3.867 0.194 1
1 937 . 3 1 1 A 76 76 LEU C C 154 178.292 178.707 -0.415 1
1 938 . 3 1 1 A 76 76 LEU CA C 154 58.188 57.775 0.413 1
1 939 . 3 1 1 A 76 76 LEU CB C 154 41.061 41.934 -0.873 1
1 943 . 3 1 1 A 76 76 LEU N N 154 121.434 121.291 0.143 1
1 944 . 3 1 1 A 77 77 GLU H H 155 8.044 8.443 -0.399 1
1 945 . 3 1 1 A 77 77 GLU HA H 155 3.394 3.911 -0.517 1
1 950 . 3 1 1 A 77 77 GLU C C 155 178.363 179.535 -1.172 1
1 951 . 3 1 1 A 77 77 GLU CA C 155 60.409 59.897 0.512 1
1 952 . 3 1 1 A 77 77 GLU CB C 155 28.697 29.123 -0.426 1
1 954 . 3 1 1 A 77 77 GLU N N 155 118.172 119.178 -1.006 1
1 955 . 3 1 1 A 78 78 GLU H H 156 8.657 8.774 -0.117 1
1 956 . 3 1 1 A 78 78 GLU HA H 156 3.945 3.992 -0.047 1
1 961 . 3 1 1 A 78 78 GLU C C 156 179.197 179.229 -0.032 1
1 962 . 3 1 1 A 78 78 GLU CA C 156 59.869 59.287 0.582 1
1 963 . 3 1 1 A 78 78 GLU CB C 156 29.466 29.146 0.320 1
1 965 . 3 1 1 A 78 78 GLU N N 156 117.944 120.304 -2.360 1
1 966 . 3 1 1 A 79 79 LYS H H 157 7.564 7.661 -0.097 1
1 967 . 3 1 1 A 79 79 LYS HA H 157 4.245 4.126 0.119 1
1 976 . 3 1 1 A 79 79 LYS C C 157 178.328 179.022 -0.694 1
1 977 . 3 1 1 A 79 79 LYS CA C 157 57.557 59.353 -1.796 1
1 978 . 3 1 1 A 79 79 LYS CB C 157 30.969 32.584 -1.615 1
1 982 . 3 1 1 A 79 79 LYS N N 157 121.118 120.083 1.035 1
1 983 . 3 1 1 A 80 80 VAL H H 158 8.412 7.657 0.755 1
1 984 . 3 1 1 A 80 80 VAL HA H 158 3.314 3.865 -0.551 1
1 992 . 3 1 1 A 80 80 VAL C C 158 177.623 178.025 -0.402 1
1 993 . 3 1 1 A 80 80 VAL CA C 158 67.250 66.343 0.907 1
1 994 . 3 1 1 A 80 80 VAL CB C 158 30.867 31.695 -0.828 1
1 997 . 3 1 1 A 80 80 VAL N N 158 119.270 119.865 -0.595 1
1 998 . 3 1 1 A 81 81 MET H H 159 8.212 8.039 0.173 1
1 999 . 3 1 1 A 81 81 MET HA H 159 4.039 4.513 -0.474 1
1 1007 . 3 1 1 A 81 81 MET C C 159 177.305 178.762 -1.457 1
1 1008 . 3 1 1 A 81 81 MET CA C 159 59.998 59.229 0.769 1
1 1009 . 3 1 1 A 81 81 MET CB C 159 33.605 33.265 0.340 1
1 1012 . 3 1 1 A 81 81 MET N N 159 117.924 117.654 0.270 1
1 1013 . 3 1 1 A 82 82 GLU H H 160 7.780 8.379 -0.599 1
1 1014 . 3 1 1 A 82 82 GLU HA H 160 3.768 3.999 -0.231 1
1 1019 . 3 1 1 A 82 82 GLU C C 160 179.468 179.251 0.217 1
1 1020 . 3 1 1 A 82 82 GLU CA C 160 59.555 59.273 0.282 1
1 1021 . 3 1 1 A 82 82 GLU CB C 160 29.831 29.285 0.546 1
1 1023 . 3 1 1 A 82 82 GLU N N 160 119.282 119.254 0.028 1
1 1024 . 3 1 1 A 83 83 LEU H H 161 7.748 8.398 -0.650 1
1 1025 . 3 1 1 A 83 83 LEU HA H 161 3.756 3.668 0.088 1
1 1035 . 3 1 1 A 83 83 LEU C C 161 179.113 178.790 0.323 1
1 1036 . 3 1 1 A 83 83 LEU CA C 161 57.246 57.620 -0.374 1
1 1037 . 3 1 1 A 83 83 LEU CB C 161 41.824 41.627 0.197 1
1 1041 . 3 1 1 A 83 83 LEU N N 161 118.542 119.520 -0.978 1
1 1042 . 3 1 1 A 84 84 HIS H H 162 8.842 8.181 0.661 1
1 1043 . 3 1 1 A 84 84 HIS HA H 162 3.986 4.228 -0.242 1
1 1047 . 3 1 1 A 84 84 HIS C C 162 178.286 176.770 1.516 1
1 1048 . 3 1 1 A 84 84 HIS CA C 162 58.407 60.294 -1.887 1
1 1049 . 3 1 1 A 84 84 HIS CB C 162 32.405 30.120 2.285 1
1 1051 . 3 1 1 A 84 84 HIS N N 162 120.325 118.018 2.307 1
1 1052 . 3 1 1 A 85 85 LYS H H 163 7.951 7.532 0.419 1
1 1053 . 3 1 1 A 85 85 LYS HA H 163 3.383 3.729 -0.346 1
1 1062 . 3 1 1 A 85 85 LYS C C 163 177.303 178.508 -1.205 1
1 1063 . 3 1 1 A 85 85 LYS CA C 163 59.730 58.844 0.886 1
1 1064 . 3 1 1 A 85 85 LYS CB C 163 32.489 31.212 1.277 1
1 1068 . 3 1 1 A 85 85 LYS N N 163 116.598 119.723 -3.125 1
1 1069 . 3 1 1 A 86 86 SER H H 164 7.334 7.955 -0.621 1
1 1070 . 3 1 1 A 86 86 SER HA H 164 4.442 4.136 0.306 1
1 1073 . 3 1 1 A 86 86 SER C C 164 175.296 174.529 0.767 1
1 1074 . 3 1 1 A 86 86 SER CA C 164 59.708 60.682 -0.974 1
1 1075 . 3 1 1 A 86 86 SER CB C 164 64.669 62.904 1.765 1
1 1076 . 3 1 1 A 86 86 SER N N 164 113.922 114.422 -0.500 1
1 1077 . 3 1 1 A 87 87 TYR H H 165 7.321 7.477 -0.156 1
1 1078 . 3 1 1 A 87 87 TYR HA H 165 5.037 4.612 0.425 1
1 1085 . 3 1 1 A 87 87 TYR C C 165 175.143 175.627 -0.484 1
1 1086 . 3 1 1 A 87 87 TYR CA C 165 54.570 58.843 -4.273 1
1 1087 . 3 1 1 A 87 87 TYR CB C 165 36.575 39.039 -2.464 1
1 1092 . 3 1 1 A 87 87 TYR N N 165 123.163 119.991 3.172 1
1 1093 . 3 1 1 A 88 88 ARG H H 166 7.263 8.760 -1.497 1
1 1094 . 3 1 1 A 88 88 ARG HA H 166 4.264 4.534 -0.270 1
1 1102 . 3 1 1 A 88 88 ARG C C 166 177.455 176.820 0.635 1
1 1103 . 3 1 1 A 88 88 ARG CA C 166 58.086 55.749 2.337 1
1 1104 . 3 1 1 A 88 88 ARG CB C 166 30.702 31.524 -0.822 1
1 1107 . 3 1 1 A 88 88 ARG N N 166 119.334 124.449 -5.115 1
1 1108 . 3 1 1 A 89 89 SER H H 167 10.206 8.758 1.448 1
1 1109 . 3 1 1 A 89 89 SER HA H 167 4.265 4.504 -0.239 1
1 1112 . 3 1 1 A 89 89 SER C C 167 174.371 173.865 0.506 1
1 1113 . 3 1 1 A 89 89 SER CA C 167 60.818 58.175 2.643 1
1 1114 . 3 1 1 A 89 89 SER CB C 167 62.576 61.438 1.138 1
1 1115 . 3 1 1 A 89 89 SER N N 167 121.486 117.114 4.372 1
1 1116 . 3 1 1 A 90 90 MET H H 168 8.409 9.372 -0.963 1
1 1117 . 3 1 1 A 90 90 MET HA H 168 4.531 4.805 -0.274 1
1 1125 . 3 1 1 A 90 90 MET C C 168 177.396 175.855 1.541 1
1 1126 . 3 1 1 A 90 90 MET CA C 168 56.283 54.689 1.594 1
1 1127 . 3 1 1 A 90 90 MET CB C 168 35.048 33.844 1.204 1
1 1130 . 3 1 1 A 90 90 MET N N 168 124.849 124.128 0.721 1
1 1131 . 3 1 1 A 91 91 THR H H 169 8.981 9.246 -0.265 1
1 1132 . 3 1 1 A 91 91 THR HA H 169 4.589 5.065 -0.476 1
1 1137 . 3 1 1 A 91 91 THR C C 169 173.532 174.690 -1.158 1
1 1138 . 3 1 1 A 91 91 THR CA C 169 61.052 59.398 1.654 1
1 1139 . 3 1 1 A 91 91 THR CB C 169 68.249 69.395 -1.146 1
1 1141 . 3 1 1 A 91 91 THR N N 169 122.910 113.930 8.980 1
1 1142 . 3 1 1 A 92 92 PRO HA H 170 4.151 4.219 -0.068 1
1 1147 . 3 1 1 A 92 92 PRO C C 170 177.481 178.372 -0.891 1
1 1148 . 3 1 1 A 92 92 PRO CA C 170 66.599 65.994 0.605 1
1 1149 . 3 1 1 A 92 92 PRO CB C 170 31.740 31.501 0.239 1
1 1151 . 3 1 1 A 93 93 ALA H H 171 7.833 8.411 -0.578 1
1 1152 . 3 1 1 A 93 93 ALA HA H 171 4.135 3.970 0.165 1
1 1156 . 3 1 1 A 93 93 ALA C C 171 180.982 180.497 0.485 1
1 1157 . 3 1 1 A 93 93 ALA CA C 171 54.982 55.433 -0.451 1
1 1158 . 3 1 1 A 93 93 ALA CB C 171 18.373 18.645 -0.272 1
1 1159 . 3 1 1 A 93 93 ALA N N 171 115.945 118.203 -2.258 1
1 1160 . 3 1 1 A 94 94 GLN H H 172 7.868 8.126 -0.258 1
1 1161 . 3 1 1 A 94 94 GLN HA H 172 3.911 3.976 -0.065 1
1 1168 . 3 1 1 A 94 94 GLN C C 172 178.279 178.265 0.014 1
1 1169 . 3 1 1 A 94 94 GLN CA C 172 58.547 58.662 -0.115 1
1 1170 . 3 1 1 A 94 94 GLN CB C 172 28.318 28.346 -0.028 1
1 1172 . 3 1 1 A 94 94 GLN N N 172 118.910 117.919 0.991 1
1 1174 . 3 1 1 A 95 95 ALA H H 173 8.459 7.695 0.764 1
1 1175 . 3 1 1 A 95 95 ALA HA H 173 4.066 3.883 0.183 1
1 1179 . 3 1 1 A 95 95 ALA C C 173 179.362 179.821 -0.459 1
1 1180 . 3 1 1 A 95 95 ALA CA C 173 55.413 55.365 0.048 1
1 1181 . 3 1 1 A 95 95 ALA CB C 173 17.730 18.245 -0.515 1
1 1182 . 3 1 1 A 95 95 ALA N N 173 123.672 122.589 1.083 1
1 1183 . 3 1 1 A 96 96 ASP H H 174 8.541 8.218 0.323 1
1 1184 . 3 1 1 A 96 96 ASP HA H 174 4.317 4.397 -0.080 1
1 1187 . 3 1 1 A 96 96 ASP C C 174 178.340 178.597 -0.257 1
1 1188 . 3 1 1 A 96 96 ASP CA C 174 57.230 57.464 -0.234 1
1 1189 . 3 1 1 A 96 96 ASP CB C 174 40.024 40.433 -0.409 1
1 1190 . 3 1 1 A 96 96 ASP N N 174 119.397 119.681 -0.284 1
1 1191 . 3 1 1 A 97 97 LEU H H 175 7.798 8.043 -0.245 1
1 1192 . 3 1 1 A 97 97 LEU HA H 175 3.968 4.124 -0.156 1
1 1202 . 3 1 1 A 97 97 LEU C C 175 179.822 178.522 1.300 1
1 1203 . 3 1 1 A 97 97 LEU CA C 175 58.737 56.935 1.802 1
1 1204 . 3 1 1 A 97 97 LEU CB C 175 41.661 41.443 0.218 1
1 1208 . 3 1 1 A 97 97 LEU N N 175 120.724 120.270 0.454 1
1 1209 . 3 1 1 A 98 98 GLU H H 176 8.172 8.235 -0.063 1
1 1210 . 3 1 1 A 98 98 GLU HA H 176 3.885 3.666 0.219 1
1 1215 . 3 1 1 A 98 98 GLU C C 176 180.447 178.935 1.512 1
1 1216 . 3 1 1 A 98 98 GLU CA C 176 58.870 59.419 -0.549 1
1 1217 . 3 1 1 A 98 98 GLU CB C 176 27.413 28.370 -0.957 1
1 1219 . 3 1 1 A 98 98 GLU N N 176 119.724 119.284 0.440 1
1 1220 . 3 1 1 A 99 99 PHE H H 177 8.542 7.718 0.824 1
1 1221 . 3 1 1 A 99 99 PHE HA H 177 3.819 4.140 -0.321 1
1 1229 . 3 1 1 A 99 99 PHE C C 177 176.805 177.089 -0.284 1
1 1230 . 3 1 1 A 99 99 PHE CA C 177 62.277 61.350 0.927 1
1 1231 . 3 1 1 A 99 99 PHE CB C 177 38.948 39.148 -0.200 1
1 1237 . 3 1 1 A 99 99 PHE N N 177 123.837 121.315 2.522 1
1 1238 . 3 1 1 A 100 100 LEU H H 178 8.532 8.448 0.084 1
1 1239 . 3 1 1 A 100 100 LEU HA H 178 4.028 4.025 0.003 1
1 1249 . 3 1 1 A 100 100 LEU C C 178 179.884 179.460 0.424 1
1 1250 . 3 1 1 A 100 100 LEU CA C 178 58.046 58.097 -0.051 1
1 1251 . 3 1 1 A 100 100 LEU CB C 178 41.419 41.395 0.024 1
1 1255 . 3 1 1 A 100 100 LEU N N 178 119.496 119.134 0.362 1
1 1256 . 3 1 1 A 101 101 GLU H H 179 8.769 8.513 0.256 1
1 1257 . 3 1 1 A 101 101 GLU HA H 179 4.043 3.959 0.084 1
1 1262 . 3 1 1 A 101 101 GLU C C 179 179.881 178.791 1.090 1
1 1263 . 3 1 1 A 101 101 GLU CA C 179 59.465 59.237 0.228 1
1 1264 . 3 1 1 A 101 101 GLU CB C 179 29.478 29.198 0.280 1
1 1266 . 3 1 1 A 101 101 GLU N N 179 120.825 120.267 0.558 1
1 1267 . 3 1 1 A 102 102 ASN H H 180 7.865 7.698 0.167 1
1 1268 . 3 1 1 A 102 102 ASN HA H 180 4.329 4.393 -0.064 1
1 1273 . 3 1 1 A 102 102 ASN C C 180 176.692 177.462 -0.770 1
1 1274 . 3 1 1 A 102 102 ASN CA C 180 57.537 55.771 1.766 1
1 1275 . 3 1 1 A 102 102 ASN CB C 180 40.085 38.340 1.745 1
1 1276 . 3 1 1 A 102 102 ASN N N 180 116.591 117.464 -0.873 1
1 1278 . 3 1 1 A 103 103 ALA H H 181 8.744 8.372 0.372 1
1 1279 . 3 1 1 A 103 103 ALA HA H 181 4.130 3.896 0.234 1
1 1283 . 3 1 1 A 103 103 ALA C C 181 179.546 179.763 -0.217 1
1 1284 . 3 1 1 A 103 103 ALA CA C 181 55.148 54.926 0.222 1
1 1285 . 3 1 1 A 103 103 ALA CB C 181 18.154 18.238 -0.084 1
1 1286 . 3 1 1 A 103 103 ALA N N 181 122.431 122.270 0.161 1
1 1287 . 3 1 1 A 104 104 LYS H H 182 8.493 7.936 0.557 1
1 1288 . 3 1 1 A 104 104 LYS HA H 182 3.786 4.047 -0.261 1
1 1297 . 3 1 1 A 104 104 LYS C C 182 180.012 179.282 0.730 1
1 1298 . 3 1 1 A 104 104 LYS CA C 182 58.547 59.097 -0.550 1
1 1299 . 3 1 1 A 104 104 LYS CB C 182 31.194 32.175 -0.981 1
1 1303 . 3 1 1 A 104 104 LYS N N 182 119.195 117.817 1.378 1
1 1304 . 3 1 1 A 105 105 LYS H H 183 7.661 7.559 0.102 1
1 1305 . 3 1 1 A 105 105 LYS HA H 183 4.111 4.109 0.002 1
1 1314 . 3 1 1 A 105 105 LYS C C 183 178.010 178.497 -0.487 1
1 1315 . 3 1 1 A 105 105 LYS CA C 183 58.823 58.854 -0.031 1
1 1316 . 3 1 1 A 105 105 LYS CB C 183 32.287 31.776 0.511 1
1 1320 . 3 1 1 A 105 105 LYS N N 183 120.301 120.055 0.246 1
1 1321 . 3 1 1 A 106 106 LEU H H 184 7.403 7.551 -0.148 1
1 1322 . 3 1 1 A 106 106 LEU HA H 184 4.385 4.305 0.080 1
1 1331 . 3 1 1 A 106 106 LEU C C 184 176.332 176.296 0.036 1
1 1332 . 3 1 1 A 106 106 LEU CA C 184 54.857 54.842 0.015 1
1 1333 . 3 1 1 A 106 106 LEU CB C 184 42.054 42.179 -0.125 1
1 1336 . 3 1 1 A 106 106 LEU N N 184 118.606 118.458 0.148 1
1 1337 . 3 1 1 A 107 107 SER H H 185 8.123 8.060 0.063 1
1 1338 . 3 1 1 A 107 107 SER HA H 185 4.202 4.193 0.009 1
1 1341 . 3 1 1 A 107 107 SER C C 185 174.826 175.241 -0.415 1
1 1342 . 3 1 1 A 107 107 SER CA C 185 58.894 59.300 -0.406 1
1 1343 . 3 1 1 A 107 107 SER CB C 185 61.684 61.779 -0.095 1
1 1344 . 3 1 1 A 107 107 SER N N 185 113.023 113.741 -0.718 1
1 1345 . 3 1 1 A 108 108 MET H H 186 8.212 8.008 0.204 1
1 1346 . 3 1 1 A 108 108 MET HA H 186 4.188 4.598 -0.410 1
1 1354 . 3 1 1 A 108 108 MET C C 186 174.495 175.409 -0.914 1
1 1355 . 3 1 1 A 108 108 MET CA C 186 57.328 54.429 2.899 1
1 1356 . 3 1 1 A 108 108 MET CB C 186 33.414 31.880 1.534 1
1 1359 . 3 1 1 A 108 108 MET N N 186 117.267 117.443 -0.176 1
1 4 . 4 1 1 A 2 2 SER HA H 80 4.477 5.069 -0.592 1
1 7 . 4 1 1 A 2 2 SER CA C 80 58.344 56.907 1.437 1
1 8 . 4 1 1 A 2 2 SER CB C 80 64.002 65.248 -1.246 1
1 9 . 4 1 1 A 3 3 HIS HA H 81 4.614 4.222 0.392 1
1 13 . 4 1 1 A 3 3 HIS C C 81 174.681 175.507 -0.826 1
1 14 . 4 1 1 A 3 3 HIS CA C 81 56.231 59.573 -3.342 1
1 15 . 4 1 1 A 3 3 HIS CB C 81 29.839 30.461 -0.622 1
1 17 . 4 1 1 A 4 4 MET H H 82 8.285 8.018 0.267 1
1 18 . 4 1 1 A 4 4 MET HA H 82 4.416 4.491 -0.075 1
1 26 . 4 1 1 A 4 4 MET C C 82 175.286 175.568 -0.282 1
1 27 . 4 1 1 A 4 4 MET CA C 82 55.165 55.517 -0.352 1
1 28 . 4 1 1 A 4 4 MET CB C 82 32.988 33.595 -0.607 1
1 31 . 4 1 1 A 4 4 MET N N 82 121.559 117.702 3.857 1
1 32 . 4 1 1 A 5 5 ASP H H 83 8.362 8.704 -0.342 1
1 33 . 4 1 1 A 5 5 ASP HA H 83 4.844 4.685 0.159 1
1 36 . 4 1 1 A 5 5 ASP C C 83 175.239 176.096 -0.857 1
1 37 . 4 1 1 A 5 5 ASP CA C 83 52.238 52.476 -0.238 1
1 38 . 4 1 1 A 5 5 ASP CB C 83 41.471 40.315 1.156 1
1 39 . 4 1 1 A 5 5 ASP N N 83 124.060 121.432 2.628 1
1 40 . 4 1 1 A 6 6 PRO HA H 84 4.327 4.512 -0.185 1
1 47 . 4 1 1 A 6 6 PRO C C 84 177.388 177.383 0.005 1
1 48 . 4 1 1 A 6 6 PRO CA C 84 64.084 64.433 -0.349 1
1 49 . 4 1 1 A 6 6 PRO CB C 84 32.022 32.035 -0.013 1
1 52 . 4 1 1 A 7 7 ALA H H 85 8.406 7.552 0.854 1
1 53 . 4 1 1 A 7 7 ALA HA H 85 4.239 4.350 -0.111 1
1 57 . 4 1 1 A 7 7 ALA C C 85 178.462 177.112 1.350 1
1 58 . 4 1 1 A 7 7 ALA CA C 85 53.223 52.785 0.438 1
1 59 . 4 1 1 A 7 7 ALA CB C 85 18.801 19.955 -1.154 1
1 60 . 4 1 1 A 7 7 ALA N N 85 121.868 117.731 4.137 1
1 61 . 4 1 1 A 8 8 GLN H H 86 7.985 7.926 0.059 1
1 62 . 4 1 1 A 8 8 GLN HA H 86 4.264 3.992 0.272 1
1 69 . 4 1 1 A 8 8 GLN C C 86 176.124 175.461 0.663 1
1 70 . 4 1 1 A 8 8 GLN CA C 86 56.101 56.746 -0.645 1
1 71 . 4 1 1 A 8 8 GLN CB C 86 29.456 26.242 3.214 1
1 73 . 4 1 1 A 8 8 GLN N N 86 117.727 113.279 4.448 1
1 75 . 4 1 1 A 9 9 LEU H H 87 8.102 7.849 0.253 1
1 76 . 4 1 1 A 9 9 LEU HA H 87 4.394 3.880 0.514 1
1 86 . 4 1 1 A 9 9 LEU C C 87 177.923 178.905 -0.982 1
1 87 . 4 1 1 A 9 9 LEU CA C 87 55.454 58.230 -2.776 1
1 88 . 4 1 1 A 9 9 LEU CB C 87 42.188 42.332 -0.144 1
1 92 . 4 1 1 A 9 9 LEU N N 87 122.045 118.967 3.078 1
1 93 . 4 1 1 A 10 10 THR H H 88 7.902 8.203 -0.301 1
1 94 . 4 1 1 A 10 10 THR HA H 88 4.258 3.999 0.259 1
1 99 . 4 1 1 A 10 10 THR C C 88 175.742 177.232 -1.490 1
1 100 . 4 1 1 A 10 10 THR CA C 88 62.974 65.748 -2.774 1
1 101 . 4 1 1 A 10 10 THR CB C 88 69.759 68.273 1.486 1
1 103 . 4 1 1 A 10 10 THR N N 88 113.859 109.653 4.206 1
1 104 . 4 1 1 A 11 11 GLU H H 89 8.594 8.605 -0.011 1
1 105 . 4 1 1 A 11 11 GLU HA H 89 4.213 3.983 0.230 1
1 110 . 4 1 1 A 11 11 GLU C C 89 177.577 178.815 -1.238 1
1 111 . 4 1 1 A 11 11 GLU CA C 89 58.496 60.272 -1.776 1
1 112 . 4 1 1 A 11 11 GLU CB C 89 29.751 29.001 0.750 1
1 114 . 4 1 1 A 11 11 GLU N N 89 122.144 122.220 -0.076 1
1 115 . 4 1 1 A 12 12 ASP H H 90 8.244 7.935 0.309 1
1 116 . 4 1 1 A 12 12 ASP HA H 90 4.419 4.389 0.030 1
1 119 . 4 1 1 A 12 12 ASP C C 90 178.623 178.538 0.085 1
1 120 . 4 1 1 A 12 12 ASP CA C 90 56.589 57.522 -0.933 1
1 121 . 4 1 1 A 12 12 ASP CB C 90 40.332 41.489 -1.157 1
1 122 . 4 1 1 A 12 12 ASP N N 90 119.922 119.280 0.642 1
1 123 . 4 1 1 A 13 13 ILE H H 91 8.092 7.774 0.318 1
1 124 . 4 1 1 A 13 13 ILE HA H 91 3.987 3.498 0.489 1
1 134 . 4 1 1 A 13 13 ILE C C 91 177.124 178.201 -1.077 1
1 135 . 4 1 1 A 13 13 ILE CA C 91 63.562 64.962 -1.400 1
1 136 . 4 1 1 A 13 13 ILE CB C 91 37.830 37.295 0.535 1
1 140 . 4 1 1 A 13 13 ILE N N 91 122.909 119.171 3.738 1
1 141 . 4 1 1 A 14 14 THR H H 92 8.045 8.608 -0.563 1
1 142 . 4 1 1 A 14 14 THR HA H 92 4.040 3.991 0.049 1
1 147 . 4 1 1 A 14 14 THR C C 92 177.358 176.873 0.485 1
1 148 . 4 1 1 A 14 14 THR CA C 92 66.244 65.748 0.496 1
1 149 . 4 1 1 A 14 14 THR CB C 92 68.629 69.104 -0.475 1
1 151 . 4 1 1 A 14 14 THR N N 92 116.529 114.297 2.232 1
1 152 . 4 1 1 A 15 15 ARG H H 93 7.984 8.197 -0.213 1
1 153 . 4 1 1 A 15 15 ARG HA H 93 3.974 3.917 0.057 1
1 161 . 4 1 1 A 15 15 ARG C C 93 177.719 177.936 -0.217 1
1 162 . 4 1 1 A 15 15 ARG CA C 93 60.312 59.498 0.814 1
1 163 . 4 1 1 A 15 15 ARG CB C 93 30.591 29.688 0.903 1
1 166 . 4 1 1 A 15 15 ARG N N 93 121.521 121.181 0.340 1
1 167 . 4 1 1 A 16 16 TYR H H 94 7.948 7.692 0.256 1
1 168 . 4 1 1 A 16 16 TYR HA H 94 4.045 4.208 -0.163 1
1 175 . 4 1 1 A 16 16 TYR C C 94 177.690 177.158 0.532 1
1 176 . 4 1 1 A 16 16 TYR CA C 94 61.568 61.214 0.354 1
1 177 . 4 1 1 A 16 16 TYR CB C 94 37.543 38.188 -0.645 1
1 182 . 4 1 1 A 16 16 TYR N N 94 120.911 120.303 0.608 1
1 183 . 4 1 1 A 17 17 TYR H H 95 8.143 7.806 0.337 1
1 184 . 4 1 1 A 17 17 TYR HA H 95 4.049 4.149 -0.100 1
1 191 . 4 1 1 A 17 17 TYR C C 95 179.000 178.339 0.661 1
1 192 . 4 1 1 A 17 17 TYR CA C 95 61.454 61.137 0.317 1
1 193 . 4 1 1 A 17 17 TYR CB C 95 37.483 37.400 0.083 1
1 198 . 4 1 1 A 17 17 TYR N N 95 117.066 117.925 -0.859 1
1 199 . 4 1 1 A 18 18 LEU H H 96 7.976 8.534 -0.558 1
1 200 . 4 1 1 A 18 18 LEU HA H 96 4.203 4.144 0.059 1
1 210 . 4 1 1 A 18 18 LEU C C 96 178.998 178.386 0.612 1
1 211 . 4 1 1 A 18 18 LEU CA C 96 58.097 57.947 0.150 1
1 212 . 4 1 1 A 18 18 LEU CB C 96 41.814 41.970 -0.156 1
1 216 . 4 1 1 A 18 18 LEU N N 96 123.012 121.569 1.443 1
1 217 . 4 1 1 A 19 19 CYS H H 97 8.163 8.481 -0.318 1
1 218 . 4 1 1 A 19 19 CYS HA H 97 3.783 3.994 -0.211 1
1 221 . 4 1 1 A 19 19 CYS C C 97 176.663 176.764 -0.101 1
1 222 . 4 1 1 A 19 19 CYS CA C 97 64.973 62.357 2.616 1
1 223 . 4 1 1 A 19 19 CYS CB C 97 25.966 27.004 -1.038 1
1 224 . 4 1 1 A 19 19 CYS N N 97 117.202 118.388 -1.186 1
1 225 . 4 1 1 A 20 20 LEU H H 98 7.863 7.974 -0.111 1
1 226 . 4 1 1 A 20 20 LEU HA H 98 3.681 3.772 -0.091 1
1 236 . 4 1 1 A 20 20 LEU C C 98 179.392 179.424 -0.032 1
1 237 . 4 1 1 A 20 20 LEU CA C 98 58.319 58.072 0.247 1
1 238 . 4 1 1 A 20 20 LEU CB C 98 41.944 41.483 0.461 1
1 242 . 4 1 1 A 20 20 LEU N N 98 118.833 121.272 -2.439 1
1 243 . 4 1 1 A 21 21 GLN H H 99 7.658 7.650 0.008 1
1 244 . 4 1 1 A 21 21 GLN HA H 99 3.909 4.079 -0.170 1
1 251 . 4 1 1 A 21 21 GLN C C 99 178.326 179.089 -0.763 1
1 252 . 4 1 1 A 21 21 GLN CA C 99 58.704 58.543 0.161 1
1 253 . 4 1 1 A 21 21 GLN CB C 99 28.630 28.287 0.343 1
1 255 . 4 1 1 A 21 21 GLN N N 99 118.958 117.673 1.285 1
1 257 . 4 1 1 A 22 22 LEU H H 100 8.214 8.404 -0.190 1
1 258 . 4 1 1 A 22 22 LEU HA H 100 4.150 4.002 0.148 1
1 268 . 4 1 1 A 22 22 LEU C C 100 179.438 179.136 0.302 1
1 269 . 4 1 1 A 22 22 LEU CA C 100 58.320 57.894 0.426 1
1 270 . 4 1 1 A 22 22 LEU CB C 100 42.816 41.428 1.388 1
1 274 . 4 1 1 A 22 22 LEU N N 100 119.829 119.887 -0.058 1
1 275 . 4 1 1 A 23 23 ARG H H 101 8.722 8.483 0.239 1
1 276 . 4 1 1 A 23 23 ARG HA H 101 3.946 4.085 -0.139 1
1 284 . 4 1 1 A 23 23 ARG C C 101 179.448 178.987 0.461 1
1 285 . 4 1 1 A 23 23 ARG CA C 101 60.910 59.246 1.664 1
1 286 . 4 1 1 A 23 23 ARG CB C 101 29.853 29.440 0.413 1
1 288 . 4 1 1 A 23 23 ARG N N 101 117.690 119.193 -1.503 1
1 289 . 4 1 1 A 24 24 GLN H H 102 7.804 7.636 0.168 1
1 290 . 4 1 1 A 24 24 GLN HA H 102 4.015 4.057 -0.042 1
1 297 . 4 1 1 A 24 24 GLN C C 102 178.951 178.697 0.254 1
1 298 . 4 1 1 A 24 24 GLN CA C 102 58.785 58.475 0.310 1
1 299 . 4 1 1 A 24 24 GLN CB C 102 28.263 28.252 0.011 1
1 301 . 4 1 1 A 24 24 GLN N N 102 117.686 118.448 -0.762 1
1 303 . 4 1 1 A 25 25 ASP H H 103 8.393 7.807 0.586 1
1 304 . 4 1 1 A 25 25 ASP HA H 103 4.414 4.481 -0.067 1
1 307 . 4 1 1 A 25 25 ASP C C 103 179.476 179.053 0.423 1
1 308 . 4 1 1 A 25 25 ASP CA C 103 57.753 57.371 0.382 1
1 309 . 4 1 1 A 25 25 ASP CB C 103 40.432 40.755 -0.323 1
1 310 . 4 1 1 A 25 25 ASP N N 103 122.118 120.263 1.855 1
1 311 . 4 1 1 A 26 26 ILE H H 104 8.737 7.726 1.011 1
1 312 . 4 1 1 A 26 26 ILE HA H 104 3.761 3.638 0.123 1
1 320 . 4 1 1 A 26 26 ILE C C 104 180.320 178.032 2.288 1
1 321 . 4 1 1 A 26 26 ILE CA C 104 65.902 65.047 0.855 1
1 322 . 4 1 1 A 26 26 ILE CB C 104 38.826 37.959 0.867 1
1 325 . 4 1 1 A 26 26 ILE N N 104 122.668 120.837 1.831 1
1 326 . 4 1 1 A 27 27 VAL H H 105 7.923 7.801 0.122 1
1 327 . 4 1 1 A 27 27 VAL HA H 105 3.077 3.896 -0.819 1
1 335 . 4 1 1 A 27 27 VAL C C 105 176.073 177.816 -1.743 1
1 336 . 4 1 1 A 27 27 VAL CA C 105 67.080 64.725 2.355 1
1 337 . 4 1 1 A 27 27 VAL CB C 105 31.450 31.487 -0.037 1
1 340 . 4 1 1 A 27 27 VAL N N 105 121.194 116.648 4.546 1
1 341 . 4 1 1 A 28 28 ALA H H 106 7.892 7.168 0.724 1
1 342 . 4 1 1 A 28 28 ALA HA H 106 4.286 4.311 -0.025 1
1 346 . 4 1 1 A 28 28 ALA C C 106 178.366 177.720 0.646 1
1 347 . 4 1 1 A 28 28 ALA CA C 106 52.572 51.994 0.578 1
1 348 . 4 1 1 A 28 28 ALA CB C 106 19.616 19.397 0.219 1
1 349 . 4 1 1 A 28 28 ALA N N 106 117.103 121.811 -4.708 1
1 350 . 4 1 1 A 29 29 GLY H H 107 7.670 7.960 -0.290 1
1 351 . 4 1 1 A 29 29 GLY HA2 H 107 4.181 3.940 0.241 1
1 352 . 4 1 1 A 29 29 GLY HA3 H 107 3.924 3.941 -0.017 1
1 353 . 4 1 1 A 29 29 GLY C C 107 174.596 174.831 -0.235 1
1 354 . 4 1 1 A 29 29 GLY CA C 107 45.157 46.409 -1.252 1
1 355 . 4 1 1 A 29 29 GLY N N 107 105.038 106.861 -1.823 1
1 356 . 4 1 1 A 30 30 ARG H H 108 7.972 7.967 0.005 1
1 357 . 4 1 1 A 30 30 ARG HA H 108 4.185 4.198 -0.013 1
1 365 . 4 1 1 A 30 30 ARG C C 108 175.874 175.668 0.206 1
1 366 . 4 1 1 A 30 30 ARG CA C 108 57.987 57.335 0.652 1
1 367 . 4 1 1 A 30 30 ARG CB C 108 31.218 31.104 0.114 1
1 370 . 4 1 1 A 30 30 ARG N N 108 118.333 121.495 -3.162 1
1 371 . 4 1 1 A 31 31 LEU H H 109 6.696 7.500 -0.804 1
1 372 . 4 1 1 A 31 31 LEU HA H 109 4.939 4.795 0.144 1
1 382 . 4 1 1 A 31 31 LEU C C 109 173.324 173.784 -0.460 1
1 383 . 4 1 1 A 31 31 LEU CA C 109 50.930 51.591 -0.661 1
1 384 . 4 1 1 A 31 31 LEU CB C 109 43.480 45.666 -2.186 1
1 388 . 4 1 1 A 31 31 LEU N N 109 118.681 119.161 -0.480 1
1 389 . 4 1 1 A 32 32 PRO HA H 110 4.411 4.857 -0.446 1
1 396 . 4 1 1 A 32 32 PRO C C 110 176.694 175.979 0.715 1
1 397 . 4 1 1 A 32 32 PRO CA C 110 63.123 62.746 0.377 1
1 398 . 4 1 1 A 32 32 PRO CB C 110 32.022 31.707 0.315 1
1 401 . 4 1 1 A 33 33 CYS H H 111 8.273 8.481 -0.208 1
1 402 . 4 1 1 A 33 33 CYS HA H 111 4.834 5.031 -0.197 1
1 405 . 4 1 1 A 33 33 CYS C C 111 173.523 173.035 0.488 1
1 406 . 4 1 1 A 33 33 CYS CA C 111 57.890 58.023 -0.133 1
1 407 . 4 1 1 A 33 33 CYS CB C 111 32.282 32.883 -0.601 1
1 408 . 4 1 1 A 33 33 CYS N N 111 119.113 122.255 -3.142 1
1 409 . 4 1 1 A 34 34 SER H H 112 8.738 8.336 0.402 1
1 410 . 4 1 1 A 34 34 SER HA H 112 4.527 5.012 -0.485 1
1 413 . 4 1 1 A 34 34 SER C C 112 173.709 175.156 -1.447 1
1 414 . 4 1 1 A 34 34 SER CA C 112 57.256 56.280 0.976 1
1 415 . 4 1 1 A 34 34 SER CB C 112 65.433 66.378 -0.945 1
1 416 . 4 1 1 A 34 34 SER N N 112 118.212 115.020 3.192 1
1 417 . 4 1 1 A 35 35 PHE H H 113 9.027 9.251 -0.224 1
1 418 . 4 1 1 A 35 35 PHE HA H 113 4.047 4.052 -0.005 1
1 426 . 4 1 1 A 35 35 PHE C C 113 176.433 177.198 -0.765 1
1 427 . 4 1 1 A 35 35 PHE CA C 113 62.623 62.712 -0.089 1
1 428 . 4 1 1 A 35 35 PHE CB C 113 39.128 39.728 -0.600 1
1 434 . 4 1 1 A 35 35 PHE N N 113 122.209 122.092 0.117 1
1 435 . 4 1 1 A 36 36 ALA H H 114 8.631 8.353 0.278 1
1 436 . 4 1 1 A 36 36 ALA HA H 114 3.926 4.045 -0.119 1
1 440 . 4 1 1 A 36 36 ALA C C 114 181.064 179.886 1.178 1
1 441 . 4 1 1 A 36 36 ALA CA C 114 55.300 55.205 0.095 1
1 442 . 4 1 1 A 36 36 ALA CB C 114 18.423 18.432 -0.009 1
1 443 . 4 1 1 A 36 36 ALA N N 114 118.977 121.165 -2.188 1
1 444 . 4 1 1 A 37 37 THR H H 115 7.886 7.909 -0.023 1
1 445 . 4 1 1 A 37 37 THR HA H 115 3.859 3.954 -0.095 1
1 450 . 4 1 1 A 37 37 THR C C 115 175.630 176.603 -0.973 1
1 451 . 4 1 1 A 37 37 THR CA C 115 66.294 66.800 -0.506 1
1 452 . 4 1 1 A 37 37 THR CB C 115 68.298 67.811 0.487 1
1 454 . 4 1 1 A 37 37 THR N N 115 117.602 114.943 2.659 1
1 455 . 4 1 1 A 38 38 LEU H H 116 8.740 8.224 0.516 1
1 456 . 4 1 1 A 38 38 LEU HA H 116 3.904 3.899 0.005 1
1 466 . 4 1 1 A 38 38 LEU C C 116 180.666 179.116 1.550 1
1 467 . 4 1 1 A 38 38 LEU CA C 116 58.166 57.904 0.262 1
1 468 . 4 1 1 A 38 38 LEU CB C 116 43.034 41.294 1.740 1
1 472 . 4 1 1 A 38 38 LEU N N 116 122.945 121.336 1.609 1
1 473 . 4 1 1 A 39 39 ALA H H 117 8.151 8.282 -0.131 1
1 474 . 4 1 1 A 39 39 ALA HA H 117 3.776 3.888 -0.112 1
1 478 . 4 1 1 A 39 39 ALA C C 117 178.461 179.747 -1.286 1
1 479 . 4 1 1 A 39 39 ALA CA C 117 53.839 54.892 -1.053 1
1 480 . 4 1 1 A 39 39 ALA CB C 117 17.406 18.056 -0.650 1
1 481 . 4 1 1 A 39 39 ALA N N 117 120.752 121.628 -0.876 1
1 482 . 4 1 1 A 40 40 LEU H H 118 7.801 8.073 -0.272 1
1 483 . 4 1 1 A 40 40 LEU HA H 118 3.892 4.076 -0.184 1
1 492 . 4 1 1 A 40 40 LEU C C 118 180.428 178.499 1.929 1
1 493 . 4 1 1 A 40 40 LEU CA C 118 57.978 57.889 0.089 1
1 494 . 4 1 1 A 40 40 LEU CB C 118 42.699 41.844 0.855 1
1 497 . 4 1 1 A 40 40 LEU N N 118 119.699 120.209 -0.510 1
1 498 . 4 1 1 A 41 41 LEU H H 119 9.153 8.830 0.323 1
1 499 . 4 1 1 A 41 41 LEU HA H 119 4.181 4.384 -0.203 1
1 509 . 4 1 1 A 41 41 LEU C C 119 179.132 179.322 -0.190 1
1 510 . 4 1 1 A 41 41 LEU CA C 119 58.696 58.296 0.400 1
1 511 . 4 1 1 A 41 41 LEU CB C 119 39.102 41.832 -2.730 1
1 515 . 4 1 1 A 41 41 LEU N N 119 118.687 119.310 -0.623 1
1 516 . 4 1 1 A 42 42 GLY H H 120 8.253 8.174 0.079 1
1 517 . 4 1 1 A 42 42 GLY HA2 H 120 4.016 3.713 0.303 1
1 518 . 4 1 1 A 42 42 GLY HA3 H 120 3.610 3.740 -0.130 1
1 519 . 4 1 1 A 42 42 GLY C C 120 175.046 175.998 -0.952 1
1 520 . 4 1 1 A 42 42 GLY CA C 120 48.060 47.423 0.637 1
1 521 . 4 1 1 A 42 42 GLY N N 120 106.562 106.937 -0.375 1
1 522 . 4 1 1 A 43 43 SER H H 121 8.456 8.349 0.107 1
1 523 . 4 1 1 A 43 43 SER HA H 121 3.928 4.175 -0.247 1
1 526 . 4 1 1 A 43 43 SER C C 121 175.318 176.503 -1.185 1
1 527 . 4 1 1 A 43 43 SER CA C 121 62.651 61.630 1.021 1
1 528 . 4 1 1 A 43 43 SER CB C 121 62.722 62.302 0.420 1
1 529 . 4 1 1 A 43 43 SER N N 121 117.787 117.580 0.207 1
1 530 . 4 1 1 A 44 44 TYR H H 122 7.311 7.586 -0.275 1
1 531 . 4 1 1 A 44 44 TYR HA H 122 4.635 4.312 0.323 1
1 538 . 4 1 1 A 44 44 TYR C C 122 178.731 178.231 0.500 1
1 539 . 4 1 1 A 44 44 TYR CA C 122 61.704 60.576 1.128 1
1 540 . 4 1 1 A 44 44 TYR CB C 122 38.809 38.144 0.665 1
1 545 . 4 1 1 A 44 44 TYR N N 122 123.923 119.520 4.403 1
1 546 . 4 1 1 A 45 45 THR H H 123 8.748 8.048 0.700 1
1 547 . 4 1 1 A 45 45 THR HA H 123 3.747 3.977 -0.230 1
1 552 . 4 1 1 A 45 45 THR C C 123 175.781 176.584 -0.803 1
1 553 . 4 1 1 A 45 45 THR CA C 123 67.015 67.286 -0.271 1
1 554 . 4 1 1 A 45 45 THR CB C 123 67.670 67.752 -0.082 1
1 556 . 4 1 1 A 45 45 THR N N 123 121.374 115.259 6.115 1
1 557 . 4 1 1 A 46 46 ILE H H 124 8.131 8.075 0.056 1
1 558 . 4 1 1 A 46 46 ILE HA H 124 3.161 3.112 0.049 1
1 568 . 4 1 1 A 46 46 ILE C C 124 177.130 177.819 -0.689 1
1 569 . 4 1 1 A 46 46 ILE CA C 124 62.478 65.418 -2.940 1
1 570 . 4 1 1 A 46 46 ILE CB C 124 35.268 37.586 -2.318 1
1 574 . 4 1 1 A 46 46 ILE N N 124 119.593 121.459 -1.866 1
1 575 . 4 1 1 A 47 47 GLN H H 125 7.871 7.922 -0.051 1
1 576 . 4 1 1 A 47 47 GLN HA H 125 4.110 3.729 0.381 1
1 583 . 4 1 1 A 47 47 GLN C C 125 178.150 177.761 0.389 1
1 584 . 4 1 1 A 47 47 GLN CA C 125 58.333 58.523 -0.190 1
1 585 . 4 1 1 A 47 47 GLN CB C 125 27.448 28.040 -0.592 1
1 587 . 4 1 1 A 47 47 GLN N N 125 121.155 120.192 0.963 1
1 589 . 4 1 1 A 48 48 SER H H 126 8.194 7.791 0.403 1
1 590 . 4 1 1 A 48 48 SER HA H 126 4.055 4.137 -0.082 1
1 593 . 4 1 1 A 48 48 SER C C 126 176.209 176.326 -0.117 1
1 594 . 4 1 1 A 48 48 SER CA C 126 60.823 61.220 -0.397 1
1 595 . 4 1 1 A 48 48 SER CB C 126 63.592 63.013 0.579 1
1 596 . 4 1 1 A 48 48 SER N N 126 111.964 114.026 -2.062 1
1 597 . 4 1 1 A 49 49 GLU H H 127 8.009 7.883 0.126 1
1 598 . 4 1 1 A 49 49 GLU HA H 127 4.296 4.167 0.129 1
1 603 . 4 1 1 A 49 49 GLU C C 127 178.319 177.970 0.349 1
1 604 . 4 1 1 A 49 49 GLU CA C 127 58.376 58.495 -0.119 1
1 605 . 4 1 1 A 49 49 GLU CB C 127 30.928 30.052 0.876 1
1 607 . 4 1 1 A 49 49 GLU N N 127 116.052 121.379 -5.327 1
1 608 . 4 1 1 A 50 50 LEU H H 128 8.916 8.367 0.549 1
1 609 . 4 1 1 A 50 50 LEU HA H 128 4.549 4.561 -0.012 1
1 619 . 4 1 1 A 50 50 LEU C C 128 178.447 177.410 1.037 1
1 620 . 4 1 1 A 50 50 LEU CA C 128 55.159 54.580 0.579 1
1 621 . 4 1 1 A 50 50 LEU CB C 128 43.500 42.660 0.840 1
1 625 . 4 1 1 A 50 50 LEU N N 128 117.044 117.078 -0.034 1
1 626 . 4 1 1 A 51 51 GLY H H 129 7.710 7.967 -0.257 1
1 627 . 4 1 1 A 51 51 GLY HA2 H 129 4.261 3.988 0.273 1
1 628 . 4 1 1 A 51 51 GLY HA3 H 129 3.994 4.009 -0.015 1
1 629 . 4 1 1 A 51 51 GLY C C 129 172.406 173.328 -0.922 1
1 630 . 4 1 1 A 51 51 GLY CA C 129 44.162 46.976 -2.814 1
1 631 . 4 1 1 A 51 51 GLY N N 129 109.110 106.600 2.510 1
1 632 . 4 1 1 A 52 52 ASP H H 130 8.131 8.486 -0.355 1
1 633 . 4 1 1 A 52 52 ASP HA H 130 4.577 5.206 -0.629 1
1 636 . 4 1 1 A 52 52 ASP C C 130 176.862 174.682 2.180 1
1 637 . 4 1 1 A 52 52 ASP CA C 130 54.581 53.785 0.796 1
1 638 . 4 1 1 A 52 52 ASP CB C 130 41.028 42.880 -1.852 1
1 639 . 4 1 1 A 52 52 ASP N N 130 118.844 123.499 -4.655 1
1 640 . 4 1 1 A 53 53 TYR H H 131 8.732 8.977 -0.245 1
1 641 . 4 1 1 A 53 53 TYR HA H 131 4.410 4.159 0.251 1
1 648 . 4 1 1 A 53 53 TYR C C 131 174.929 174.112 0.817 1
1 649 . 4 1 1 A 53 53 TYR CA C 131 58.452 58.284 0.168 1
1 650 . 4 1 1 A 53 53 TYR CB C 131 37.536 38.659 -1.123 1
1 655 . 4 1 1 A 53 53 TYR N N 131 121.518 122.363 -0.845 1
1 656 . 4 1 1 A 54 54 ASP H H 132 9.981 8.003 1.978 1
1 657 . 4 1 1 A 54 54 ASP HA H 132 4.652 5.182 -0.530 1
1 660 . 4 1 1 A 54 54 ASP CA C 132 49.843 51.018 -1.175 1
1 661 . 4 1 1 A 54 54 ASP CB C 132 42.737 41.849 0.888 1
1 662 . 4 1 1 A 54 54 ASP N N 132 132.995 127.932 5.063 1
1 663 . 4 1 1 A 55 55 PRO HA H 133 4.117 4.078 0.039 1
1 670 . 4 1 1 A 55 55 PRO C C 133 178.353 178.352 0.001 1
1 671 . 4 1 1 A 55 55 PRO CA C 133 64.216 64.473 -0.257 1
1 672 . 4 1 1 A 55 55 PRO CB C 133 32.133 32.117 0.016 1
1 675 . 4 1 1 A 56 56 GLU H H 134 7.968 8.968 -1.000 1
1 676 . 4 1 1 A 56 56 GLU HA H 134 4.047 4.062 -0.015 1
1 681 . 4 1 1 A 56 56 GLU C C 134 177.001 178.432 -1.431 1
1 682 . 4 1 1 A 56 56 GLU CA C 134 57.984 58.772 -0.788 1
1 683 . 4 1 1 A 56 56 GLU CB C 134 29.667 28.436 1.231 1
1 685 . 4 1 1 A 56 56 GLU N N 134 116.491 116.671 -0.180 1
1 686 . 4 1 1 A 57 57 LEU H H 135 7.137 7.403 -0.266 1
1 687 . 4 1 1 A 57 57 LEU HA H 135 4.186 4.162 0.024 1
1 697 . 4 1 1 A 57 57 LEU C C 135 177.695 176.662 1.033 1
1 698 . 4 1 1 A 57 57 LEU CA C 135 55.372 56.125 -0.753 1
1 699 . 4 1 1 A 57 57 LEU CB C 135 43.889 43.627 0.262 1
1 703 . 4 1 1 A 57 57 LEU N N 135 118.254 118.258 -0.004 1
1 704 . 4 1 1 A 58 58 HIS H H 136 8.121 8.072 0.049 1
1 705 . 4 1 1 A 58 58 HIS HA H 136 4.560 4.618 -0.058 1
1 709 . 4 1 1 A 58 58 HIS C C 136 176.135 174.847 1.288 1
1 710 . 4 1 1 A 58 58 HIS CA C 136 56.134 54.932 1.202 1
1 711 . 4 1 1 A 58 58 HIS CB C 136 31.534 31.690 -0.156 1
1 713 . 4 1 1 A 58 58 HIS N N 136 120.254 115.586 4.668 1
1 714 . 4 1 1 A 59 59 GLY H H 137 7.890 8.603 -0.713 1
1 715 . 4 1 1 A 59 59 GLY HA2 H 137 4.166 4.129 0.037 1
1 716 . 4 1 1 A 59 59 GLY HA3 H 137 3.990 4.173 -0.183 1
1 717 . 4 1 1 A 59 59 GLY C C 137 175.021 174.338 0.683 1
1 718 . 4 1 1 A 59 59 GLY CA C 137 45.431 44.572 0.859 1
1 719 . 4 1 1 A 59 59 GLY N N 137 108.183 108.003 0.180 1
1 720 . 4 1 1 A 60 60 VAL H H 138 8.519 8.541 -0.022 1
1 721 . 4 1 1 A 60 60 VAL HA H 138 4.503 4.496 0.007 1
1 729 . 4 1 1 A 60 60 VAL C C 138 176.419 175.885 0.534 1
1 730 . 4 1 1 A 60 60 VAL CA C 138 62.905 61.923 0.982 1
1 731 . 4 1 1 A 60 60 VAL CB C 138 32.421 33.552 -1.131 1
1 734 . 4 1 1 A 60 60 VAL N N 138 116.738 117.991 -1.253 1
1 735 . 4 1 1 A 61 61 ASP H H 139 8.525 7.881 0.644 1
1 736 . 4 1 1 A 61 61 ASP HA H 139 4.959 4.812 0.147 1
1 739 . 4 1 1 A 61 61 ASP C C 139 177.816 176.256 1.560 1
1 740 . 4 1 1 A 61 61 ASP CA C 139 54.278 53.292 0.986 1
1 741 . 4 1 1 A 61 61 ASP CB C 139 40.771 41.040 -0.269 1
1 742 . 4 1 1 A 61 61 ASP N N 139 120.408 121.491 -1.083 1
1 743 . 4 1 1 A 62 62 TYR H H 140 7.553 8.220 -0.667 1
1 744 . 4 1 1 A 62 62 TYR HA H 140 4.611 4.538 0.073 1
1 751 . 4 1 1 A 62 62 TYR C C 140 176.791 177.872 -1.081 1
1 752 . 4 1 1 A 62 62 TYR CA C 140 59.811 59.857 -0.046 1
1 753 . 4 1 1 A 62 62 TYR CB C 140 37.453 37.556 -0.103 1
1 758 . 4 1 1 A 62 62 TYR N N 140 118.187 119.382 -1.195 1
1 759 . 4 1 1 A 63 63 VAL H H 141 7.645 7.519 0.126 1
1 760 . 4 1 1 A 63 63 VAL HA H 141 3.861 3.797 0.064 1
1 768 . 4 1 1 A 63 63 VAL C C 141 176.409 178.102 -1.693 1
1 769 . 4 1 1 A 63 63 VAL CA C 141 63.504 66.174 -2.670 1
1 770 . 4 1 1 A 63 63 VAL CB C 141 31.598 30.777 0.821 1
1 773 . 4 1 1 A 63 63 VAL N N 141 118.945 121.762 -2.817 1
1 774 . 4 1 1 A 64 64 SER H H 142 7.611 8.183 -0.572 1
1 775 . 4 1 1 A 64 64 SER HA H 142 4.234 4.280 -0.046 1
1 778 . 4 1 1 A 64 64 SER C C 142 175.035 175.734 -0.699 1
1 779 . 4 1 1 A 64 64 SER CA C 142 60.628 60.447 0.181 1
1 780 . 4 1 1 A 64 64 SER CB C 142 63.183 62.735 0.448 1
1 781 . 4 1 1 A 64 64 SER N N 142 113.661 115.512 -1.851 1
1 782 . 4 1 1 A 65 65 ASP H H 143 7.440 7.392 0.048 1
1 783 . 4 1 1 A 65 65 ASP HA H 143 4.568 4.468 0.100 1
1 786 . 4 1 1 A 65 65 ASP C C 143 175.376 176.248 -0.872 1
1 787 . 4 1 1 A 65 65 ASP CA C 143 55.077 55.590 -0.513 1
1 788 . 4 1 1 A 65 65 ASP CB C 143 40.913 41.433 -0.520 1
1 789 . 4 1 1 A 65 65 ASP N N 143 118.332 119.543 -1.211 1
1 790 . 4 1 1 A 66 66 PHE H H 144 8.115 7.633 0.482 1
1 791 . 4 1 1 A 66 66 PHE HA H 144 4.369 4.824 -0.455 1
1 798 . 4 1 1 A 66 66 PHE C C 144 174.524 175.398 -0.874 1
1 799 . 4 1 1 A 66 66 PHE CA C 144 57.705 57.606 0.099 1
1 800 . 4 1 1 A 66 66 PHE CB C 144 41.033 40.824 0.209 1
1 805 . 4 1 1 A 66 66 PHE N N 144 120.277 116.706 3.571 1
1 806 . 4 1 1 A 67 67 LYS H H 145 8.688 8.887 -0.199 1
1 807 . 4 1 1 A 67 67 LYS HA H 145 4.671 4.425 0.246 1
1 816 . 4 1 1 A 67 67 LYS C C 145 175.437 176.278 -0.841 1
1 817 . 4 1 1 A 67 67 LYS CA C 145 55.418 55.689 -0.271 1
1 818 . 4 1 1 A 67 67 LYS CB C 145 31.784 31.630 0.154 1
1 822 . 4 1 1 A 67 67 LYS N N 145 122.931 124.635 -1.704 1
1 823 . 4 1 1 A 68 68 LEU H H 146 9.642 8.584 1.058 1
1 824 . 4 1 1 A 68 68 LEU HA H 146 4.484 4.350 0.134 1
1 834 . 4 1 1 A 68 68 LEU C C 146 175.512 176.450 -0.938 1
1 835 . 4 1 1 A 68 68 LEU CA C 146 54.375 56.041 -1.666 1
1 836 . 4 1 1 A 68 68 LEU CB C 146 44.114 42.692 1.422 1
1 840 . 4 1 1 A 68 68 LEU N N 146 123.156 127.104 -3.948 1
1 841 . 4 1 1 A 69 69 ALA H H 147 7.586 7.534 0.052 1
1 842 . 4 1 1 A 69 69 ALA HA H 147 4.597 4.537 0.060 1
1 846 . 4 1 1 A 69 69 ALA C C 147 173.720 176.835 -3.115 1
1 847 . 4 1 1 A 69 69 ALA CA C 147 49.637 50.623 -0.986 1
1 848 . 4 1 1 A 69 69 ALA CB C 147 22.691 21.332 1.359 1
1 849 . 4 1 1 A 69 69 ALA N N 147 117.486 117.330 0.156 1
1 850 . 4 1 1 A 70 70 PRO HA H 148 4.578 4.381 0.197 1
1 857 . 4 1 1 A 70 70 PRO C C 148 176.996 176.857 0.139 1
1 858 . 4 1 1 A 70 70 PRO CA C 148 64.435 64.895 -0.460 1
1 859 . 4 1 1 A 70 70 PRO CB C 148 31.448 32.113 -0.665 1
1 862 . 4 1 1 A 71 71 ASN H H 149 8.221 7.927 0.294 1
1 863 . 4 1 1 A 71 71 ASN HA H 149 4.783 4.902 -0.119 1
1 868 . 4 1 1 A 71 71 ASN C C 149 173.865 173.961 -0.096 1
1 869 . 4 1 1 A 71 71 ASN CA C 149 52.308 51.785 0.523 1
1 870 . 4 1 1 A 71 71 ASN CB C 149 38.065 38.361 -0.296 1
1 871 . 4 1 1 A 71 71 ASN N N 149 116.940 114.706 2.234 1
1 873 . 4 1 1 A 72 72 GLN H H 150 8.467 8.796 -0.329 1
1 874 . 4 1 1 A 72 72 GLN HA H 150 3.962 4.618 -0.656 1
1 881 . 4 1 1 A 72 72 GLN C C 150 174.832 174.685 0.147 1
1 882 . 4 1 1 A 72 72 GLN CA C 150 57.793 56.079 1.714 1
1 883 . 4 1 1 A 72 72 GLN CB C 150 29.029 29.447 -0.418 1
1 885 . 4 1 1 A 72 72 GLN N N 150 123.793 125.326 -1.533 1
1 887 . 4 1 1 A 73 73 THR H H 151 7.040 8.364 -1.324 1
1 888 . 4 1 1 A 73 73 THR HA H 151 4.668 4.872 -0.204 1
1 893 . 4 1 1 A 73 73 THR C C 151 175.175 176.122 -0.947 1
1 894 . 4 1 1 A 73 73 THR CA C 151 59.504 59.667 -0.163 1
1 895 . 4 1 1 A 73 73 THR CB C 151 72.544 71.129 1.415 1
1 897 . 4 1 1 A 73 73 THR N N 151 115.239 121.379 -6.140 1
1 898 . 4 1 1 A 74 74 LYS H H 152 8.949 8.925 0.024 1
1 899 . 4 1 1 A 74 74 LYS HA H 152 4.109 3.996 0.113 1
1 908 . 4 1 1 A 74 74 LYS C C 152 178.758 178.338 0.420 1
1 909 . 4 1 1 A 74 74 LYS CA C 152 58.521 59.157 -0.636 1
1 910 . 4 1 1 A 74 74 LYS CB C 152 31.372 32.007 -0.635 1
1 914 . 4 1 1 A 74 74 LYS N N 152 122.065 124.420 -2.355 1
1 915 . 4 1 1 A 75 75 GLU H H 153 8.762 7.933 0.829 1
1 916 . 4 1 1 A 75 75 GLU HA H 153 4.098 4.114 -0.016 1
1 921 . 4 1 1 A 75 75 GLU C C 153 179.947 179.593 0.354 1
1 922 . 4 1 1 A 75 75 GLU CA C 153 60.405 59.296 1.109 1
1 923 . 4 1 1 A 75 75 GLU CB C 153 28.999 29.382 -0.383 1
1 925 . 4 1 1 A 75 75 GLU N N 153 118.335 119.805 -1.470 1
1 926 . 4 1 1 A 76 76 LEU H H 154 7.726 8.030 -0.304 1
1 927 . 4 1 1 A 76 76 LEU HA H 154 4.061 3.806 0.255 1
1 937 . 4 1 1 A 76 76 LEU C C 154 178.292 178.696 -0.404 1
1 938 . 4 1 1 A 76 76 LEU CA C 154 58.188 57.849 0.339 1
1 939 . 4 1 1 A 76 76 LEU CB C 154 41.061 42.083 -1.022 1
1 943 . 4 1 1 A 76 76 LEU N N 154 121.434 121.481 -0.047 1
1 944 . 4 1 1 A 77 77 GLU H H 155 8.044 8.469 -0.425 1
1 945 . 4 1 1 A 77 77 GLU HA H 155 3.394 3.894 -0.500 1
1 950 . 4 1 1 A 77 77 GLU C C 155 178.363 179.494 -1.131 1
1 951 . 4 1 1 A 77 77 GLU CA C 155 60.409 59.892 0.517 1
1 952 . 4 1 1 A 77 77 GLU CB C 155 28.697 29.115 -0.418 1
1 954 . 4 1 1 A 77 77 GLU N N 155 118.172 119.085 -0.913 1
1 955 . 4 1 1 A 78 78 GLU H H 156 8.657 8.762 -0.105 1
1 956 . 4 1 1 A 78 78 GLU HA H 156 3.945 4.028 -0.083 1
1 961 . 4 1 1 A 78 78 GLU C C 156 179.197 178.976 0.221 1
1 962 . 4 1 1 A 78 78 GLU CA C 156 59.869 59.294 0.575 1
1 963 . 4 1 1 A 78 78 GLU CB C 156 29.466 29.167 0.299 1
1 965 . 4 1 1 A 78 78 GLU N N 156 117.944 120.305 -2.361 1
1 966 . 4 1 1 A 79 79 LYS H H 157 7.564 7.696 -0.132 1
1 967 . 4 1 1 A 79 79 LYS HA H 157 4.245 4.176 0.069 1
1 976 . 4 1 1 A 79 79 LYS C C 157 178.328 178.759 -0.431 1
1 977 . 4 1 1 A 79 79 LYS CA C 157 57.557 58.716 -1.159 1
1 978 . 4 1 1 A 79 79 LYS CB C 157 30.969 32.382 -1.413 1
1 982 . 4 1 1 A 79 79 LYS N N 157 121.118 121.285 -0.167 1
1 983 . 4 1 1 A 80 80 VAL H H 158 8.412 7.685 0.727 1
1 984 . 4 1 1 A 80 80 VAL HA H 158 3.314 3.547 -0.233 1
1 992 . 4 1 1 A 80 80 VAL C C 158 177.623 178.190 -0.567 1
1 993 . 4 1 1 A 80 80 VAL CA C 158 67.250 66.266 0.984 1
1 994 . 4 1 1 A 80 80 VAL CB C 158 30.867 31.825 -0.958 1
1 997 . 4 1 1 A 80 80 VAL N N 158 119.270 119.733 -0.463 1
1 998 . 4 1 1 A 81 81 MET H H 159 8.212 7.939 0.273 1
1 999 . 4 1 1 A 81 81 MET HA H 159 4.039 4.575 -0.536 1
1 1007 . 4 1 1 A 81 81 MET C C 159 177.305 178.897 -1.592 1
1 1008 . 4 1 1 A 81 81 MET CA C 159 59.998 59.245 0.753 1
1 1009 . 4 1 1 A 81 81 MET CB C 159 33.605 33.243 0.362 1
1 1012 . 4 1 1 A 81 81 MET N N 159 117.924 117.537 0.387 1
1 1013 . 4 1 1 A 82 82 GLU H H 160 7.780 8.489 -0.709 1
1 1014 . 4 1 1 A 82 82 GLU HA H 160 3.768 3.939 -0.171 1
1 1019 . 4 1 1 A 82 82 GLU C C 160 179.468 178.862 0.606 1
1 1020 . 4 1 1 A 82 82 GLU CA C 160 59.555 59.213 0.342 1
1 1021 . 4 1 1 A 82 82 GLU CB C 160 29.831 29.437 0.394 1
1 1023 . 4 1 1 A 82 82 GLU N N 160 119.282 119.894 -0.612 1
1 1024 . 4 1 1 A 83 83 LEU H H 161 7.748 8.192 -0.444 1
1 1025 . 4 1 1 A 83 83 LEU HA H 161 3.756 3.668 0.088 1
1 1035 . 4 1 1 A 83 83 LEU C C 161 179.113 178.968 0.145 1
1 1036 . 4 1 1 A 83 83 LEU CA C 161 57.246 57.574 -0.328 1
1 1037 . 4 1 1 A 83 83 LEU CB C 161 41.824 41.290 0.534 1
1 1041 . 4 1 1 A 83 83 LEU N N 161 118.542 119.675 -1.133 1
1 1042 . 4 1 1 A 84 84 HIS H H 162 8.842 8.079 0.763 1
1 1043 . 4 1 1 A 84 84 HIS HA H 162 3.986 4.174 -0.188 1
1 1047 . 4 1 1 A 84 84 HIS C C 162 178.286 176.900 1.386 1
1 1048 . 4 1 1 A 84 84 HIS CA C 162 58.407 60.261 -1.854 1
1 1049 . 4 1 1 A 84 84 HIS CB C 162 32.405 30.025 2.380 1
1 1051 . 4 1 1 A 84 84 HIS N N 162 120.325 118.485 1.840 1
1 1052 . 4 1 1 A 85 85 LYS H H 163 7.951 7.764 0.187 1
1 1053 . 4 1 1 A 85 85 LYS HA H 163 3.383 3.706 -0.323 1
1 1062 . 4 1 1 A 85 85 LYS C C 163 177.303 179.018 -1.715 1
1 1063 . 4 1 1 A 85 85 LYS CA C 163 59.730 58.804 0.926 1
1 1064 . 4 1 1 A 85 85 LYS CB C 163 32.489 31.154 1.335 1
1 1068 . 4 1 1 A 85 85 LYS N N 163 116.598 119.873 -3.275 1
1 1069 . 4 1 1 A 86 86 SER H H 164 7.334 7.919 -0.585 1
1 1070 . 4 1 1 A 86 86 SER HA H 164 4.442 4.153 0.289 1
1 1073 . 4 1 1 A 86 86 SER C C 164 175.296 174.246 1.050 1
1 1074 . 4 1 1 A 86 86 SER CA C 164 59.708 61.661 -1.953 1
1 1075 . 4 1 1 A 86 86 SER CB C 164 64.669 62.553 2.116 1
1 1076 . 4 1 1 A 86 86 SER N N 164 113.922 114.568 -0.646 1
1 1077 . 4 1 1 A 87 87 TYR H H 165 7.321 7.242 0.079 1
1 1078 . 4 1 1 A 87 87 TYR HA H 165 5.037 4.983 0.054 1
1 1085 . 4 1 1 A 87 87 TYR C C 165 175.143 175.518 -0.375 1
1 1086 . 4 1 1 A 87 87 TYR CA C 165 54.570 57.464 -2.894 1
1 1087 . 4 1 1 A 87 87 TYR CB C 165 36.575 40.396 -3.821 1
1 1092 . 4 1 1 A 87 87 TYR N N 165 123.163 119.609 3.554 1
1 1093 . 4 1 1 A 88 88 ARG H H 166 7.263 9.170 -1.907 1
1 1094 . 4 1 1 A 88 88 ARG HA H 166 4.264 4.677 -0.413 1
1 1102 . 4 1 1 A 88 88 ARG C C 166 177.455 176.622 0.833 1
1 1103 . 4 1 1 A 88 88 ARG CA C 166 58.086 55.884 2.202 1
1 1104 . 4 1 1 A 88 88 ARG CB C 166 30.702 32.115 -1.413 1
1 1107 . 4 1 1 A 88 88 ARG N N 166 119.334 124.144 -4.810 1
1 1108 . 4 1 1 A 89 89 SER H H 167 10.206 7.986 2.220 1
1 1109 . 4 1 1 A 89 89 SER HA H 167 4.265 4.806 -0.541 1
1 1112 . 4 1 1 A 89 89 SER C C 167 174.371 173.773 0.598 1
1 1113 . 4 1 1 A 89 89 SER CA C 167 60.818 57.987 2.831 1
1 1114 . 4 1 1 A 89 89 SER CB C 167 62.576 65.063 -2.487 1
1 1115 . 4 1 1 A 89 89 SER N N 167 121.486 112.929 8.557 1
1 1116 . 4 1 1 A 90 90 MET H H 168 8.409 7.765 0.644 1
1 1117 . 4 1 1 A 90 90 MET HA H 168 4.531 4.352 0.179 1
1 1125 . 4 1 1 A 90 90 MET C C 168 177.396 175.715 1.681 1
1 1126 . 4 1 1 A 90 90 MET CA C 168 56.283 56.242 0.041 1
1 1127 . 4 1 1 A 90 90 MET CB C 168 35.048 33.467 1.581 1
1 1130 . 4 1 1 A 90 90 MET N N 168 124.849 122.243 2.606 1
1 1131 . 4 1 1 A 91 91 THR H H 169 8.981 9.068 -0.087 1
1 1132 . 4 1 1 A 91 91 THR HA H 169 4.589 5.078 -0.489 1
1 1137 . 4 1 1 A 91 91 THR C C 169 173.532 174.623 -1.091 1
1 1138 . 4 1 1 A 91 91 THR CA C 169 61.052 59.604 1.448 1
1 1139 . 4 1 1 A 91 91 THR CB C 169 68.249 69.312 -1.063 1
1 1141 . 4 1 1 A 91 91 THR N N 169 122.910 115.040 7.870 1
1 1142 . 4 1 1 A 92 92 PRO HA H 170 4.151 4.227 -0.076 1
1 1147 . 4 1 1 A 92 92 PRO C C 170 177.481 178.263 -0.782 1
1 1148 . 4 1 1 A 92 92 PRO CA C 170 66.599 66.030 0.569 1
1 1149 . 4 1 1 A 92 92 PRO CB C 170 31.740 31.431 0.309 1
1 1151 . 4 1 1 A 93 93 ALA H H 171 7.833 8.372 -0.539 1
1 1152 . 4 1 1 A 93 93 ALA HA H 171 4.135 3.951 0.184 1
1 1156 . 4 1 1 A 93 93 ALA C C 171 180.982 180.522 0.460 1
1 1157 . 4 1 1 A 93 93 ALA CA C 171 54.982 55.421 -0.439 1
1 1158 . 4 1 1 A 93 93 ALA CB C 171 18.373 18.641 -0.268 1
1 1159 . 4 1 1 A 93 93 ALA N N 171 115.945 118.142 -2.197 1
1 1160 . 4 1 1 A 94 94 GLN H H 172 7.868 8.101 -0.233 1
1 1161 . 4 1 1 A 94 94 GLN HA H 172 3.911 3.983 -0.072 1
1 1168 . 4 1 1 A 94 94 GLN C C 172 178.279 178.412 -0.133 1
1 1169 . 4 1 1 A 94 94 GLN CA C 172 58.547 58.718 -0.171 1
1 1170 . 4 1 1 A 94 94 GLN CB C 172 28.318 28.322 -0.004 1
1 1172 . 4 1 1 A 94 94 GLN N N 172 118.910 117.956 0.954 1
1 1174 . 4 1 1 A 95 95 ALA H H 173 8.459 7.755 0.704 1
1 1175 . 4 1 1 A 95 95 ALA HA H 173 4.066 3.882 0.184 1
1 1179 . 4 1 1 A 95 95 ALA C C 173 179.362 179.583 -0.221 1
1 1180 . 4 1 1 A 95 95 ALA CA C 173 55.413 55.200 0.213 1
1 1181 . 4 1 1 A 95 95 ALA CB C 173 17.730 18.182 -0.452 1
1 1182 . 4 1 1 A 95 95 ALA N N 173 123.672 122.534 1.138 1
1 1183 . 4 1 1 A 96 96 ASP H H 174 8.541 8.120 0.421 1
1 1184 . 4 1 1 A 96 96 ASP HA H 174 4.317 4.373 -0.056 1
1 1187 . 4 1 1 A 96 96 ASP C C 174 178.340 178.602 -0.262 1
1 1188 . 4 1 1 A 96 96 ASP CA C 174 57.230 57.441 -0.211 1
1 1189 . 4 1 1 A 96 96 ASP CB C 174 40.024 40.433 -0.409 1
1 1190 . 4 1 1 A 96 96 ASP N N 174 119.397 119.492 -0.095 1
1 1191 . 4 1 1 A 97 97 LEU H H 175 7.798 8.113 -0.315 1
1 1192 . 4 1 1 A 97 97 LEU HA H 175 3.968 4.122 -0.154 1
1 1202 . 4 1 1 A 97 97 LEU C C 175 179.822 178.611 1.211 1
1 1203 . 4 1 1 A 97 97 LEU CA C 175 58.737 57.193 1.544 1
1 1204 . 4 1 1 A 97 97 LEU CB C 175 41.661 41.492 0.169 1
1 1208 . 4 1 1 A 97 97 LEU N N 175 120.724 120.140 0.584 1
1 1209 . 4 1 1 A 98 98 GLU H H 176 8.172 8.312 -0.140 1
1 1210 . 4 1 1 A 98 98 GLU HA H 176 3.885 3.695 0.190 1
1 1215 . 4 1 1 A 98 98 GLU C C 176 180.447 179.051 1.396 1
1 1216 . 4 1 1 A 98 98 GLU CA C 176 58.870 59.455 -0.585 1
1 1217 . 4 1 1 A 98 98 GLU CB C 176 27.413 28.416 -1.003 1
1 1219 . 4 1 1 A 98 98 GLU N N 176 119.724 119.319 0.405 1
1 1220 . 4 1 1 A 99 99 PHE H H 177 8.542 7.746 0.796 1
1 1221 . 4 1 1 A 99 99 PHE HA H 177 3.819 4.178 -0.359 1
1 1229 . 4 1 1 A 99 99 PHE C C 177 176.805 177.061 -0.256 1
1 1230 . 4 1 1 A 99 99 PHE CA C 177 62.277 61.295 0.982 1
1 1231 . 4 1 1 A 99 99 PHE CB C 177 38.948 39.308 -0.360 1
1 1237 . 4 1 1 A 99 99 PHE N N 177 123.837 121.318 2.519 1
1 1238 . 4 1 1 A 100 100 LEU H H 178 8.532 8.461 0.071 1
1 1239 . 4 1 1 A 100 100 LEU HA H 178 4.028 4.023 0.005 1
1 1249 . 4 1 1 A 100 100 LEU C C 178 179.884 179.478 0.406 1
1 1250 . 4 1 1 A 100 100 LEU CA C 178 58.046 58.158 -0.112 1
1 1251 . 4 1 1 A 100 100 LEU CB C 178 41.419 41.505 -0.086 1
1 1255 . 4 1 1 A 100 100 LEU N N 178 119.496 119.172 0.324 1
1 1256 . 4 1 1 A 101 101 GLU H H 179 8.769 8.528 0.241 1
1 1257 . 4 1 1 A 101 101 GLU HA H 179 4.043 3.935 0.108 1
1 1262 . 4 1 1 A 101 101 GLU C C 179 179.881 178.881 1.000 1
1 1263 . 4 1 1 A 101 101 GLU CA C 179 59.465 59.244 0.221 1
1 1264 . 4 1 1 A 101 101 GLU CB C 179 29.478 29.258 0.220 1
1 1266 . 4 1 1 A 101 101 GLU N N 179 120.825 120.801 0.024 1
1 1267 . 4 1 1 A 102 102 ASN H H 180 7.865 7.696 0.169 1
1 1268 . 4 1 1 A 102 102 ASN HA H 180 4.329 4.369 -0.040 1
1 1273 . 4 1 1 A 102 102 ASN C C 180 176.692 177.317 -0.625 1
1 1274 . 4 1 1 A 102 102 ASN CA C 180 57.537 55.783 1.754 1
1 1275 . 4 1 1 A 102 102 ASN CB C 180 40.085 38.401 1.684 1
1 1276 . 4 1 1 A 102 102 ASN N N 180 116.591 117.432 -0.841 1
1 1278 . 4 1 1 A 103 103 ALA H H 181 8.744 8.356 0.388 1
1 1279 . 4 1 1 A 103 103 ALA HA H 181 4.130 3.907 0.223 1
1 1283 . 4 1 1 A 103 103 ALA C C 181 179.546 179.663 -0.117 1
1 1284 . 4 1 1 A 103 103 ALA CA C 181 55.148 54.920 0.228 1
1 1285 . 4 1 1 A 103 103 ALA CB C 181 18.154 18.375 -0.221 1
1 1286 . 4 1 1 A 103 103 ALA N N 181 122.431 122.235 0.196 1
1 1287 . 4 1 1 A 104 104 LYS H H 182 8.493 8.015 0.478 1
1 1288 . 4 1 1 A 104 104 LYS HA H 182 3.786 4.021 -0.235 1
1 1297 . 4 1 1 A 104 104 LYS C C 182 180.012 179.194 0.818 1
1 1298 . 4 1 1 A 104 104 LYS CA C 182 58.547 59.199 -0.652 1
1 1299 . 4 1 1 A 104 104 LYS CB C 182 31.194 32.218 -1.024 1
1 1303 . 4 1 1 A 104 104 LYS N N 182 119.195 117.729 1.466 1
1 1304 . 4 1 1 A 105 105 LYS H H 183 7.661 7.637 0.024 1
1 1305 . 4 1 1 A 105 105 LYS HA H 183 4.111 4.110 0.001 1
1 1314 . 4 1 1 A 105 105 LYS C C 183 178.010 178.205 -0.195 1
1 1315 . 4 1 1 A 105 105 LYS CA C 183 58.823 58.732 0.091 1
1 1316 . 4 1 1 A 105 105 LYS CB C 183 32.287 31.829 0.458 1
1 1320 . 4 1 1 A 105 105 LYS N N 183 120.301 120.160 0.141 1
1 1321 . 4 1 1 A 106 106 LEU H H 184 7.403 7.524 -0.121 1
1 1322 . 4 1 1 A 106 106 LEU HA H 184 4.385 4.339 0.046 1
1 1331 . 4 1 1 A 106 106 LEU C C 184 176.332 176.069 0.263 1
1 1332 . 4 1 1 A 106 106 LEU CA C 184 54.857 54.741 0.116 1
1 1333 . 4 1 1 A 106 106 LEU CB C 184 42.054 42.047 0.007 1
1 1336 . 4 1 1 A 106 106 LEU N N 184 118.606 118.384 0.222 1
1 1337 . 4 1 1 A 107 107 SER H H 185 8.123 8.175 -0.052 1
1 1338 . 4 1 1 A 107 107 SER HA H 185 4.202 4.328 -0.126 1
1 1341 . 4 1 1 A 107 107 SER C C 185 174.826 174.331 0.495 1
1 1342 . 4 1 1 A 107 107 SER CA C 185 58.894 59.260 -0.366 1
1 1343 . 4 1 1 A 107 107 SER CB C 185 61.684 61.207 0.477 1
1 1344 . 4 1 1 A 107 107 SER N N 185 113.023 113.216 -0.193 1
1 1345 . 4 1 1 A 108 108 MET H H 186 8.212 8.058 0.154 1
1 1346 . 4 1 1 A 108 108 MET HA H 186 4.188 4.431 -0.243 1
1 1354 . 4 1 1 A 108 108 MET C C 186 174.495 176.899 -2.404 1
1 1355 . 4 1 1 A 108 108 MET CA C 186 57.328 56.440 0.888 1
1 1356 . 4 1 1 A 108 108 MET CB C 186 33.414 32.278 1.136 1
1 1359 . 4 1 1 A 108 108 MET N N 186 117.267 117.535 -0.268 1
1 4 . 5 1 1 A 2 2 SER HA H 80 4.477 4.616 -0.139 1
1 7 . 5 1 1 A 2 2 SER CA C 80 58.344 59.535 -1.191 1
1 8 . 5 1 1 A 2 2 SER CB C 80 64.002 66.031 -2.029 1
1 9 . 5 1 1 A 3 3 HIS HA H 81 4.614 4.638 -0.024 1
1 13 . 5 1 1 A 3 3 HIS C C 81 174.681 173.858 0.823 1
1 14 . 5 1 1 A 3 3 HIS CA C 81 56.231 54.981 1.250 1
1 15 . 5 1 1 A 3 3 HIS CB C 81 29.839 29.120 0.719 1
1 17 . 5 1 1 A 4 4 MET H H 82 8.285 8.234 0.051 1
1 18 . 5 1 1 A 4 4 MET HA H 82 4.416 4.639 -0.223 1
1 26 . 5 1 1 A 4 4 MET C C 82 175.286 173.714 1.572 1
1 27 . 5 1 1 A 4 4 MET CA C 82 55.165 54.111 1.054 1
1 28 . 5 1 1 A 4 4 MET CB C 82 32.988 35.526 -2.538 1
1 31 . 5 1 1 A 4 4 MET N N 82 121.559 124.435 -2.876 1
1 32 . 5 1 1 A 5 5 ASP H H 83 8.362 8.722 -0.360 1
1 33 . 5 1 1 A 5 5 ASP HA H 83 4.844 5.159 -0.315 1
1 36 . 5 1 1 A 5 5 ASP C C 83 175.239 175.672 -0.433 1
1 37 . 5 1 1 A 5 5 ASP CA C 83 52.238 51.198 1.040 1
1 38 . 5 1 1 A 5 5 ASP CB C 83 41.471 42.642 -1.171 1
1 39 . 5 1 1 A 5 5 ASP N N 83 124.060 120.889 3.171 1
1 40 . 5 1 1 A 6 6 PRO HA H 84 4.327 4.571 -0.244 1
1 47 . 5 1 1 A 6 6 PRO C C 84 177.388 176.353 1.035 1
1 48 . 5 1 1 A 6 6 PRO CA C 84 64.084 63.953 0.131 1
1 49 . 5 1 1 A 6 6 PRO CB C 84 32.022 31.811 0.211 1
1 52 . 5 1 1 A 7 7 ALA H H 85 8.406 8.294 0.112 1
1 53 . 5 1 1 A 7 7 ALA HA H 85 4.239 4.644 -0.405 1
1 57 . 5 1 1 A 7 7 ALA C C 85 178.462 177.871 0.591 1
1 58 . 5 1 1 A 7 7 ALA CA C 85 53.223 51.517 1.706 1
1 59 . 5 1 1 A 7 7 ALA CB C 85 18.801 19.887 -1.086 1
1 60 . 5 1 1 A 7 7 ALA N N 85 121.868 121.916 -0.048 1
1 61 . 5 1 1 A 8 8 GLN H H 86 7.985 8.118 -0.133 1
1 62 . 5 1 1 A 8 8 GLN HA H 86 4.264 4.053 0.211 1
1 69 . 5 1 1 A 8 8 GLN C C 86 176.124 178.560 -2.436 1
1 70 . 5 1 1 A 8 8 GLN CA C 86 56.101 58.278 -2.177 1
1 71 . 5 1 1 A 8 8 GLN CB C 86 29.456 28.332 1.124 1
1 73 . 5 1 1 A 8 8 GLN N N 86 117.727 119.419 -1.692 1
1 75 . 5 1 1 A 9 9 LEU H H 87 8.102 7.771 0.331 1
1 76 . 5 1 1 A 9 9 LEU HA H 87 4.394 4.003 0.391 1
1 86 . 5 1 1 A 9 9 LEU C C 87 177.923 178.783 -0.860 1
1 87 . 5 1 1 A 9 9 LEU CA C 87 55.454 57.526 -2.072 1
1 88 . 5 1 1 A 9 9 LEU CB C 87 42.188 41.391 0.797 1
1 92 . 5 1 1 A 9 9 LEU N N 87 122.045 117.617 4.428 1
1 93 . 5 1 1 A 10 10 THR H H 88 7.902 7.736 0.166 1
1 94 . 5 1 1 A 10 10 THR HA H 88 4.258 3.895 0.363 1
1 99 . 5 1 1 A 10 10 THR C C 88 175.742 176.511 -0.769 1
1 100 . 5 1 1 A 10 10 THR CA C 88 62.974 67.077 -4.103 1
1 101 . 5 1 1 A 10 10 THR CB C 88 69.759 68.692 1.067 1
1 103 . 5 1 1 A 10 10 THR N N 88 113.859 115.063 -1.204 1
1 104 . 5 1 1 A 11 11 GLU H H 89 8.594 8.351 0.243 1
1 105 . 5 1 1 A 11 11 GLU HA H 89 4.213 3.919 0.294 1
1 110 . 5 1 1 A 11 11 GLU C C 89 177.577 178.009 -0.432 1
1 111 . 5 1 1 A 11 11 GLU CA C 89 58.496 59.248 -0.752 1
1 112 . 5 1 1 A 11 11 GLU CB C 89 29.751 29.166 0.585 1
1 114 . 5 1 1 A 11 11 GLU N N 89 122.144 121.740 0.404 1
1 115 . 5 1 1 A 12 12 ASP H H 90 8.244 8.005 0.239 1
1 116 . 5 1 1 A 12 12 ASP HA H 90 4.419 4.404 0.015 1
1 119 . 5 1 1 A 12 12 ASP C C 90 178.623 178.458 0.165 1
1 120 . 5 1 1 A 12 12 ASP CA C 90 56.589 57.576 -0.987 1
1 121 . 5 1 1 A 12 12 ASP CB C 90 40.332 41.099 -0.767 1
1 122 . 5 1 1 A 12 12 ASP N N 90 119.922 120.305 -0.383 1
1 123 . 5 1 1 A 13 13 ILE H H 91 8.092 8.081 0.011 1
1 124 . 5 1 1 A 13 13 ILE HA H 91 3.987 3.621 0.366 1
1 134 . 5 1 1 A 13 13 ILE C C 91 177.124 178.335 -1.211 1
1 135 . 5 1 1 A 13 13 ILE CA C 91 63.562 64.950 -1.388 1
1 136 . 5 1 1 A 13 13 ILE CB C 91 37.830 37.623 0.207 1
1 140 . 5 1 1 A 13 13 ILE N N 91 122.909 119.001 3.908 1
1 141 . 5 1 1 A 14 14 THR H H 92 8.045 8.968 -0.923 1
1 142 . 5 1 1 A 14 14 THR HA H 92 4.040 3.968 0.072 1
1 147 . 5 1 1 A 14 14 THR C C 92 177.358 176.861 0.497 1
1 148 . 5 1 1 A 14 14 THR CA C 92 66.244 65.803 0.441 1
1 149 . 5 1 1 A 14 14 THR CB C 92 68.629 69.094 -0.465 1
1 151 . 5 1 1 A 14 14 THR N N 92 116.529 114.478 2.051 1
1 152 . 5 1 1 A 15 15 ARG H H 93 7.984 8.071 -0.087 1
1 153 . 5 1 1 A 15 15 ARG HA H 93 3.974 3.923 0.051 1
1 161 . 5 1 1 A 15 15 ARG C C 93 177.719 177.908 -0.189 1
1 162 . 5 1 1 A 15 15 ARG CA C 93 60.312 59.514 0.798 1
1 163 . 5 1 1 A 15 15 ARG CB C 93 30.591 29.627 0.964 1
1 166 . 5 1 1 A 15 15 ARG N N 93 121.521 121.268 0.253 1
1 167 . 5 1 1 A 16 16 TYR H H 94 7.948 7.789 0.159 1
1 168 . 5 1 1 A 16 16 TYR HA H 94 4.045 4.210 -0.165 1
1 175 . 5 1 1 A 16 16 TYR C C 94 177.690 177.053 0.637 1
1 176 . 5 1 1 A 16 16 TYR CA C 94 61.568 61.397 0.171 1
1 177 . 5 1 1 A 16 16 TYR CB C 94 37.543 38.611 -1.068 1
1 182 . 5 1 1 A 16 16 TYR N N 94 120.911 120.520 0.391 1
1 183 . 5 1 1 A 17 17 TYR H H 95 8.143 8.001 0.142 1
1 184 . 5 1 1 A 17 17 TYR HA H 95 4.049 4.011 0.038 1
1 191 . 5 1 1 A 17 17 TYR C C 95 179.000 178.289 0.711 1
1 192 . 5 1 1 A 17 17 TYR CA C 95 61.454 61.088 0.366 1
1 193 . 5 1 1 A 17 17 TYR CB C 95 37.483 37.444 0.039 1
1 198 . 5 1 1 A 17 17 TYR N N 95 117.066 117.880 -0.814 1
1 199 . 5 1 1 A 18 18 LEU H H 96 7.976 8.476 -0.500 1
1 200 . 5 1 1 A 18 18 LEU HA H 96 4.203 4.098 0.105 1
1 210 . 5 1 1 A 18 18 LEU C C 96 178.998 178.325 0.673 1
1 211 . 5 1 1 A 18 18 LEU CA C 96 58.097 58.036 0.061 1
1 212 . 5 1 1 A 18 18 LEU CB C 96 41.814 41.864 -0.050 1
1 216 . 5 1 1 A 18 18 LEU N N 96 123.012 121.347 1.665 1
1 217 . 5 1 1 A 19 19 CYS H H 97 8.163 8.625 -0.462 1
1 218 . 5 1 1 A 19 19 CYS HA H 97 3.783 4.011 -0.228 1
1 221 . 5 1 1 A 19 19 CYS C C 97 176.663 176.882 -0.219 1
1 222 . 5 1 1 A 19 19 CYS CA C 97 64.973 62.488 2.485 1
1 223 . 5 1 1 A 19 19 CYS CB C 97 25.966 27.193 -1.227 1
1 224 . 5 1 1 A 19 19 CYS N N 97 117.202 118.182 -0.980 1
1 225 . 5 1 1 A 20 20 LEU H H 98 7.863 8.074 -0.211 1
1 226 . 5 1 1 A 20 20 LEU HA H 98 3.681 3.854 -0.173 1
1 236 . 5 1 1 A 20 20 LEU C C 98 179.392 179.376 0.016 1
1 237 . 5 1 1 A 20 20 LEU CA C 98 58.319 58.126 0.193 1
1 238 . 5 1 1 A 20 20 LEU CB C 98 41.944 41.300 0.644 1
1 242 . 5 1 1 A 20 20 LEU N N 98 118.833 121.239 -2.406 1
1 243 . 5 1 1 A 21 21 GLN H H 99 7.658 7.790 -0.132 1
1 244 . 5 1 1 A 21 21 GLN HA H 99 3.909 4.028 -0.119 1
1 251 . 5 1 1 A 21 21 GLN C C 99 178.326 178.803 -0.477 1
1 252 . 5 1 1 A 21 21 GLN CA C 99 58.704 58.298 0.406 1
1 253 . 5 1 1 A 21 21 GLN CB C 99 28.630 28.411 0.219 1
1 255 . 5 1 1 A 21 21 GLN N N 99 118.958 117.795 1.163 1
1 257 . 5 1 1 A 22 22 LEU H H 100 8.214 8.576 -0.362 1
1 258 . 5 1 1 A 22 22 LEU HA H 100 4.150 3.964 0.186 1
1 268 . 5 1 1 A 22 22 LEU C C 100 179.438 179.111 0.327 1
1 269 . 5 1 1 A 22 22 LEU CA C 100 58.320 57.865 0.455 1
1 270 . 5 1 1 A 22 22 LEU CB C 100 42.816 41.690 1.126 1
1 274 . 5 1 1 A 22 22 LEU N N 100 119.829 119.893 -0.064 1
1 275 . 5 1 1 A 23 23 ARG H H 101 8.722 8.489 0.233 1
1 276 . 5 1 1 A 23 23 ARG HA H 101 3.946 3.985 -0.039 1
1 284 . 5 1 1 A 23 23 ARG C C 101 179.448 178.720 0.728 1
1 285 . 5 1 1 A 23 23 ARG CA C 101 60.910 59.233 1.677 1
1 286 . 5 1 1 A 23 23 ARG CB C 101 29.853 29.735 0.118 1
1 288 . 5 1 1 A 23 23 ARG N N 101 117.690 119.129 -1.439 1
1 289 . 5 1 1 A 24 24 GLN H H 102 7.804 7.684 0.120 1
1 290 . 5 1 1 A 24 24 GLN HA H 102 4.015 4.055 -0.040 1
1 297 . 5 1 1 A 24 24 GLN C C 102 178.951 178.602 0.349 1
1 298 . 5 1 1 A 24 24 GLN CA C 102 58.785 58.515 0.270 1
1 299 . 5 1 1 A 24 24 GLN CB C 102 28.263 28.278 -0.015 1
1 301 . 5 1 1 A 24 24 GLN N N 102 117.686 118.319 -0.633 1
1 303 . 5 1 1 A 25 25 ASP H H 103 8.393 7.878 0.515 1
1 304 . 5 1 1 A 25 25 ASP HA H 103 4.414 4.509 -0.095 1
1 307 . 5 1 1 A 25 25 ASP C C 103 179.476 178.825 0.651 1
1 308 . 5 1 1 A 25 25 ASP CA C 103 57.753 57.456 0.297 1
1 309 . 5 1 1 A 25 25 ASP CB C 103 40.432 40.894 -0.462 1
1 310 . 5 1 1 A 25 25 ASP N N 103 122.118 120.170 1.948 1
1 311 . 5 1 1 A 26 26 ILE H H 104 8.737 7.654 1.083 1
1 312 . 5 1 1 A 26 26 ILE HA H 104 3.761 3.657 0.104 1
1 320 . 5 1 1 A 26 26 ILE C C 104 180.320 178.005 2.315 1
1 321 . 5 1 1 A 26 26 ILE CA C 104 65.902 65.219 0.683 1
1 322 . 5 1 1 A 26 26 ILE CB C 104 38.826 37.929 0.897 1
1 325 . 5 1 1 A 26 26 ILE N N 104 122.668 120.208 2.460 1
1 326 . 5 1 1 A 27 27 VAL H H 105 7.923 7.858 0.065 1
1 327 . 5 1 1 A 27 27 VAL HA H 105 3.077 3.898 -0.821 1
1 335 . 5 1 1 A 27 27 VAL C C 105 176.073 177.731 -1.658 1
1 336 . 5 1 1 A 27 27 VAL CA C 105 67.080 64.743 2.337 1
1 337 . 5 1 1 A 27 27 VAL CB C 105 31.450 31.571 -0.121 1
1 340 . 5 1 1 A 27 27 VAL N N 105 121.194 116.650 4.544 1
1 341 . 5 1 1 A 28 28 ALA H H 106 7.892 7.190 0.702 1
1 342 . 5 1 1 A 28 28 ALA HA H 106 4.286 4.325 -0.039 1
1 346 . 5 1 1 A 28 28 ALA C C 106 178.366 177.794 0.572 1
1 347 . 5 1 1 A 28 28 ALA CA C 106 52.572 52.019 0.553 1
1 348 . 5 1 1 A 28 28 ALA CB C 106 19.616 19.434 0.182 1
1 349 . 5 1 1 A 28 28 ALA N N 106 117.103 121.809 -4.706 1
1 350 . 5 1 1 A 29 29 GLY H H 107 7.670 8.108 -0.438 1
1 351 . 5 1 1 A 29 29 GLY HA2 H 107 4.181 3.928 0.253 1
1 352 . 5 1 1 A 29 29 GLY HA3 H 107 3.924 3.930 -0.006 1
1 353 . 5 1 1 A 29 29 GLY C C 107 174.596 174.429 0.167 1
1 354 . 5 1 1 A 29 29 GLY CA C 107 45.157 46.591 -1.434 1
1 355 . 5 1 1 A 29 29 GLY N N 107 105.038 107.080 -2.042 1
1 356 . 5 1 1 A 30 30 ARG H H 108 7.972 8.217 -0.245 1
1 357 . 5 1 1 A 30 30 ARG HA H 108 4.185 4.316 -0.131 1
1 365 . 5 1 1 A 30 30 ARG C C 108 175.874 175.620 0.254 1
1 366 . 5 1 1 A 30 30 ARG CA C 108 57.987 56.706 1.281 1
1 367 . 5 1 1 A 30 30 ARG CB C 108 31.218 30.948 0.270 1
1 370 . 5 1 1 A 30 30 ARG N N 108 118.333 120.173 -1.840 1
1 371 . 5 1 1 A 31 31 LEU H H 109 6.696 7.574 -0.878 1
1 372 . 5 1 1 A 31 31 LEU HA H 109 4.939 4.724 0.215 1
1 382 . 5 1 1 A 31 31 LEU C C 109 173.324 174.675 -1.351 1
1 383 . 5 1 1 A 31 31 LEU CA C 109 50.930 51.652 -0.722 1
1 384 . 5 1 1 A 31 31 LEU CB C 109 43.480 44.792 -1.312 1
1 388 . 5 1 1 A 31 31 LEU N N 109 118.681 120.462 -1.781 1
1 389 . 5 1 1 A 32 32 PRO HA H 110 4.411 4.490 -0.079 1
1 396 . 5 1 1 A 32 32 PRO C C 110 176.694 176.151 0.543 1
1 397 . 5 1 1 A 32 32 PRO CA C 110 63.123 63.232 -0.109 1
1 398 . 5 1 1 A 32 32 PRO CB C 110 32.022 32.132 -0.110 1
1 401 . 5 1 1 A 33 33 CYS H H 111 8.273 8.682 -0.409 1
1 402 . 5 1 1 A 33 33 CYS HA H 111 4.834 4.876 -0.042 1
1 405 . 5 1 1 A 33 33 CYS C C 111 173.523 173.219 0.304 1
1 406 . 5 1 1 A 33 33 CYS CA C 111 57.890 58.318 -0.428 1
1 407 . 5 1 1 A 33 33 CYS CB C 111 32.282 31.660 0.622 1
1 408 . 5 1 1 A 33 33 CYS N N 111 119.113 123.543 -4.430 1
1 409 . 5 1 1 A 34 34 SER H H 112 8.738 8.771 -0.033 1
1 410 . 5 1 1 A 34 34 SER HA H 112 4.527 4.692 -0.165 1
1 413 . 5 1 1 A 34 34 SER C C 112 173.709 175.274 -1.565 1
1 414 . 5 1 1 A 34 34 SER CA C 112 57.256 58.217 -0.961 1
1 415 . 5 1 1 A 34 34 SER CB C 112 65.433 63.706 1.727 1
1 416 . 5 1 1 A 34 34 SER N N 112 118.212 119.514 -1.302 1
1 417 . 5 1 1 A 35 35 PHE H H 113 9.027 9.189 -0.162 1
1 418 . 5 1 1 A 35 35 PHE HA H 113 4.047 4.075 -0.028 1
1 426 . 5 1 1 A 35 35 PHE C C 113 176.433 177.246 -0.813 1
1 427 . 5 1 1 A 35 35 PHE CA C 113 62.623 62.670 -0.047 1
1 428 . 5 1 1 A 35 35 PHE CB C 113 39.128 39.788 -0.660 1
1 434 . 5 1 1 A 35 35 PHE N N 113 122.209 126.274 -4.065 1
1 435 . 5 1 1 A 36 36 ALA H H 114 8.631 8.370 0.261 1
1 436 . 5 1 1 A 36 36 ALA HA H 114 3.926 3.914 0.012 1
1 440 . 5 1 1 A 36 36 ALA C C 114 181.064 179.791 1.273 1
1 441 . 5 1 1 A 36 36 ALA CA C 114 55.300 55.077 0.223 1
1 442 . 5 1 1 A 36 36 ALA CB C 114 18.423 18.073 0.350 1
1 443 . 5 1 1 A 36 36 ALA N N 114 118.977 121.085 -2.108 1
1 444 . 5 1 1 A 37 37 THR H H 115 7.886 7.775 0.111 1
1 445 . 5 1 1 A 37 37 THR HA H 115 3.859 3.963 -0.104 1
1 450 . 5 1 1 A 37 37 THR C C 115 175.630 176.758 -1.128 1
1 451 . 5 1 1 A 37 37 THR CA C 115 66.294 66.651 -0.357 1
1 452 . 5 1 1 A 37 37 THR CB C 115 68.298 68.072 0.226 1
1 454 . 5 1 1 A 37 37 THR N N 115 117.602 114.501 3.101 1
1 455 . 5 1 1 A 38 38 LEU H H 116 8.740 8.136 0.604 1
1 456 . 5 1 1 A 38 38 LEU HA H 116 3.904 3.942 -0.038 1
1 466 . 5 1 1 A 38 38 LEU C C 116 180.666 179.119 1.547 1
1 467 . 5 1 1 A 38 38 LEU CA C 116 58.166 57.822 0.344 1
1 468 . 5 1 1 A 38 38 LEU CB C 116 43.034 41.276 1.758 1
1 472 . 5 1 1 A 38 38 LEU N N 116 122.945 121.254 1.691 1
1 473 . 5 1 1 A 39 39 ALA H H 117 8.151 8.090 0.061 1
1 474 . 5 1 1 A 39 39 ALA HA H 117 3.776 3.880 -0.104 1
1 478 . 5 1 1 A 39 39 ALA C C 117 178.461 179.784 -1.323 1
1 479 . 5 1 1 A 39 39 ALA CA C 117 53.839 54.834 -0.995 1
1 480 . 5 1 1 A 39 39 ALA CB C 117 17.406 18.055 -0.649 1
1 481 . 5 1 1 A 39 39 ALA N N 117 120.752 121.605 -0.853 1
1 482 . 5 1 1 A 40 40 LEU H H 118 7.801 7.985 -0.184 1
1 483 . 5 1 1 A 40 40 LEU HA H 118 3.892 4.012 -0.120 1
1 492 . 5 1 1 A 40 40 LEU C C 118 180.428 178.571 1.857 1
1 493 . 5 1 1 A 40 40 LEU CA C 118 57.978 57.907 0.071 1
1 494 . 5 1 1 A 40 40 LEU CB C 118 42.699 41.934 0.765 1
1 497 . 5 1 1 A 40 40 LEU N N 118 119.699 120.203 -0.504 1
1 498 . 5 1 1 A 41 41 LEU H H 119 9.153 8.837 0.316 1
1 499 . 5 1 1 A 41 41 LEU HA H 119 4.181 4.433 -0.252 1
1 509 . 5 1 1 A 41 41 LEU C C 119 179.132 179.311 -0.179 1
1 510 . 5 1 1 A 41 41 LEU CA C 119 58.696 58.349 0.347 1
1 511 . 5 1 1 A 41 41 LEU CB C 119 39.102 41.909 -2.807 1
1 515 . 5 1 1 A 41 41 LEU N N 119 118.687 119.328 -0.641 1
1 516 . 5 1 1 A 42 42 GLY H H 120 8.253 8.180 0.073 1
1 517 . 5 1 1 A 42 42 GLY HA2 H 120 4.016 3.744 0.272 1
1 518 . 5 1 1 A 42 42 GLY HA3 H 120 3.610 3.768 -0.158 1
1 519 . 5 1 1 A 42 42 GLY C C 120 175.046 175.945 -0.899 1
1 520 . 5 1 1 A 42 42 GLY CA C 120 48.060 47.453 0.607 1
1 521 . 5 1 1 A 42 42 GLY N N 120 106.562 106.941 -0.379 1
1 522 . 5 1 1 A 43 43 SER H H 121 8.456 8.614 -0.158 1
1 523 . 5 1 1 A 43 43 SER HA H 121 3.928 4.176 -0.248 1
1 526 . 5 1 1 A 43 43 SER C C 121 175.318 176.864 -1.546 1
1 527 . 5 1 1 A 43 43 SER CA C 121 62.651 61.259 1.392 1
1 528 . 5 1 1 A 43 43 SER CB C 121 62.722 62.999 -0.277 1
1 529 . 5 1 1 A 43 43 SER N N 121 117.787 116.901 0.886 1
1 530 . 5 1 1 A 44 44 TYR H H 122 7.311 7.663 -0.352 1
1 531 . 5 1 1 A 44 44 TYR HA H 122 4.635 4.293 0.342 1
1 538 . 5 1 1 A 44 44 TYR C C 122 178.731 178.286 0.445 1
1 539 . 5 1 1 A 44 44 TYR CA C 122 61.704 60.550 1.154 1
1 540 . 5 1 1 A 44 44 TYR CB C 122 38.809 37.872 0.937 1
1 545 . 5 1 1 A 44 44 TYR N N 122 123.923 119.794 4.129 1
1 546 . 5 1 1 A 45 45 THR H H 123 8.748 8.105 0.643 1
1 547 . 5 1 1 A 45 45 THR HA H 123 3.747 3.974 -0.227 1
1 552 . 5 1 1 A 45 45 THR C C 123 175.781 176.819 -1.038 1
1 553 . 5 1 1 A 45 45 THR CA C 123 67.015 67.073 -0.058 1
1 554 . 5 1 1 A 45 45 THR CB C 123 67.670 68.135 -0.465 1
1 556 . 5 1 1 A 45 45 THR N N 123 121.374 114.989 6.385 1
1 557 . 5 1 1 A 46 46 ILE H H 124 8.131 8.017 0.114 1
1 558 . 5 1 1 A 46 46 ILE HA H 124 3.161 3.174 -0.013 1
1 568 . 5 1 1 A 46 46 ILE C C 124 177.130 177.995 -0.865 1
1 569 . 5 1 1 A 46 46 ILE CA C 124 62.478 65.575 -3.097 1
1 570 . 5 1 1 A 46 46 ILE CB C 124 35.268 37.740 -2.472 1
1 574 . 5 1 1 A 46 46 ILE N N 124 119.593 121.677 -2.084 1
1 575 . 5 1 1 A 47 47 GLN H H 125 7.871 8.114 -0.243 1
1 576 . 5 1 1 A 47 47 GLN HA H 125 4.110 3.809 0.301 1
1 583 . 5 1 1 A 47 47 GLN C C 125 178.150 177.800 0.350 1
1 584 . 5 1 1 A 47 47 GLN CA C 125 58.333 58.481 -0.148 1
1 585 . 5 1 1 A 47 47 GLN CB C 125 27.448 27.872 -0.424 1
1 587 . 5 1 1 A 47 47 GLN N N 125 121.155 120.418 0.737 1
1 589 . 5 1 1 A 48 48 SER H H 126 8.194 7.865 0.329 1
1 590 . 5 1 1 A 48 48 SER HA H 126 4.055 4.145 -0.090 1
1 593 . 5 1 1 A 48 48 SER C C 126 176.209 176.370 -0.161 1
1 594 . 5 1 1 A 48 48 SER CA C 126 60.823 61.142 -0.319 1
1 595 . 5 1 1 A 48 48 SER CB C 126 63.592 63.040 0.552 1
1 596 . 5 1 1 A 48 48 SER N N 126 111.964 114.239 -2.275 1
1 597 . 5 1 1 A 49 49 GLU H H 127 8.009 7.995 0.014 1
1 598 . 5 1 1 A 49 49 GLU HA H 127 4.296 4.242 0.054 1
1 603 . 5 1 1 A 49 49 GLU C C 127 178.319 178.065 0.254 1
1 604 . 5 1 1 A 49 49 GLU CA C 127 58.376 58.590 -0.214 1
1 605 . 5 1 1 A 49 49 GLU CB C 127 30.928 30.257 0.671 1
1 607 . 5 1 1 A 49 49 GLU N N 127 116.052 121.041 -4.989 1
1 608 . 5 1 1 A 50 50 LEU H H 128 8.916 8.378 0.538 1
1 609 . 5 1 1 A 50 50 LEU HA H 128 4.549 4.537 0.012 1
1 619 . 5 1 1 A 50 50 LEU C C 128 178.447 177.385 1.062 1
1 620 . 5 1 1 A 50 50 LEU CA C 128 55.159 54.573 0.586 1
1 621 . 5 1 1 A 50 50 LEU CB C 128 43.500 42.659 0.841 1
1 625 . 5 1 1 A 50 50 LEU N N 128 117.044 116.881 0.163 1
1 626 . 5 1 1 A 51 51 GLY H H 129 7.710 8.128 -0.418 1
1 627 . 5 1 1 A 51 51 GLY HA2 H 129 4.261 3.935 0.326 1
1 628 . 5 1 1 A 51 51 GLY HA3 H 129 3.994 3.947 0.047 1
1 629 . 5 1 1 A 51 51 GLY C C 129 172.406 173.280 -0.874 1
1 630 . 5 1 1 A 51 51 GLY CA C 129 44.162 47.082 -2.920 1
1 631 . 5 1 1 A 51 51 GLY N N 129 109.110 106.282 2.828 1
1 632 . 5 1 1 A 52 52 ASP H H 130 8.131 8.448 -0.317 1
1 633 . 5 1 1 A 52 52 ASP HA H 130 4.577 5.523 -0.946 1
1 636 . 5 1 1 A 52 52 ASP C C 130 176.862 174.872 1.990 1
1 637 . 5 1 1 A 52 52 ASP CA C 130 54.581 52.477 2.104 1
1 638 . 5 1 1 A 52 52 ASP CB C 130 41.028 44.686 -3.658 1
1 639 . 5 1 1 A 52 52 ASP N N 130 118.844 123.538 -4.694 1
1 640 . 5 1 1 A 53 53 TYR H H 131 8.732 8.978 -0.246 1
1 641 . 5 1 1 A 53 53 TYR HA H 131 4.410 4.398 0.012 1
1 648 . 5 1 1 A 53 53 TYR C C 131 174.929 174.205 0.724 1
1 649 . 5 1 1 A 53 53 TYR CA C 131 58.452 59.557 -1.105 1
1 650 . 5 1 1 A 53 53 TYR CB C 131 37.536 39.214 -1.678 1
1 655 . 5 1 1 A 53 53 TYR N N 131 121.518 122.482 -0.964 1
1 656 . 5 1 1 A 54 54 ASP H H 132 9.981 7.628 2.353 1
1 657 . 5 1 1 A 54 54 ASP HA H 132 4.652 5.203 -0.551 1
1 660 . 5 1 1 A 54 54 ASP CA C 132 49.843 50.975 -1.132 1
1 661 . 5 1 1 A 54 54 ASP CB C 132 42.737 41.543 1.194 1
1 662 . 5 1 1 A 54 54 ASP N N 132 132.995 128.098 4.897 1
1 663 . 5 1 1 A 55 55 PRO HA H 133 4.117 4.185 -0.068 1
1 670 . 5 1 1 A 55 55 PRO C C 133 178.353 177.983 0.370 1
1 671 . 5 1 1 A 55 55 PRO CA C 133 64.216 64.550 -0.334 1
1 672 . 5 1 1 A 55 55 PRO CB C 133 32.133 32.135 -0.002 1
1 675 . 5 1 1 A 56 56 GLU H H 134 7.968 8.967 -0.999 1
1 676 . 5 1 1 A 56 56 GLU HA H 134 4.047 3.884 0.163 1
1 681 . 5 1 1 A 56 56 GLU C C 134 177.001 178.455 -1.454 1
1 682 . 5 1 1 A 56 56 GLU CA C 134 57.984 58.865 -0.881 1
1 683 . 5 1 1 A 56 56 GLU CB C 134 29.667 28.434 1.233 1
1 685 . 5 1 1 A 56 56 GLU N N 134 116.491 116.707 -0.216 1
1 686 . 5 1 1 A 57 57 LEU H H 135 7.137 7.495 -0.358 1
1 687 . 5 1 1 A 57 57 LEU HA H 135 4.186 4.158 0.028 1
1 697 . 5 1 1 A 57 57 LEU C C 135 177.695 177.224 0.471 1
1 698 . 5 1 1 A 57 57 LEU CA C 135 55.372 56.227 -0.855 1
1 699 . 5 1 1 A 57 57 LEU CB C 135 43.889 42.707 1.182 1
1 703 . 5 1 1 A 57 57 LEU N N 135 118.254 118.687 -0.433 1
1 704 . 5 1 1 A 58 58 HIS H H 136 8.121 7.688 0.433 1
1 705 . 5 1 1 A 58 58 HIS HA H 136 4.560 4.438 0.122 1
1 709 . 5 1 1 A 58 58 HIS C C 136 176.135 174.822 1.313 1
1 710 . 5 1 1 A 58 58 HIS CA C 136 56.134 57.926 -1.792 1
1 711 . 5 1 1 A 58 58 HIS CB C 136 31.534 28.454 3.080 1
1 713 . 5 1 1 A 58 58 HIS N N 136 120.254 116.222 4.032 1
1 714 . 5 1 1 A 59 59 GLY H H 137 7.890 8.556 -0.666 1
1 715 . 5 1 1 A 59 59 GLY HA2 H 137 4.166 3.973 0.193 1
1 716 . 5 1 1 A 59 59 GLY HA3 H 137 3.990 4.045 -0.055 1
1 717 . 5 1 1 A 59 59 GLY C C 137 175.021 175.848 -0.827 1
1 718 . 5 1 1 A 59 59 GLY CA C 137 45.431 45.614 -0.183 1
1 719 . 5 1 1 A 59 59 GLY N N 137 108.183 110.014 -1.831 1
1 720 . 5 1 1 A 60 60 VAL H H 138 8.519 8.572 -0.053 1
1 721 . 5 1 1 A 60 60 VAL HA H 138 4.503 3.859 0.644 1
1 729 . 5 1 1 A 60 60 VAL C C 138 176.419 175.674 0.745 1
1 730 . 5 1 1 A 60 60 VAL CA C 138 62.905 65.706 -2.801 1
1 731 . 5 1 1 A 60 60 VAL CB C 138 32.421 29.924 2.497 1
1 734 . 5 1 1 A 60 60 VAL N N 138 116.738 116.440 0.298 1
1 735 . 5 1 1 A 61 61 ASP H H 139 8.525 9.119 -0.594 1
1 736 . 5 1 1 A 61 61 ASP HA H 139 4.959 4.861 0.098 1
1 739 . 5 1 1 A 61 61 ASP C C 139 177.816 176.597 1.219 1
1 740 . 5 1 1 A 61 61 ASP CA C 139 54.278 53.656 0.622 1
1 741 . 5 1 1 A 61 61 ASP CB C 139 40.771 41.335 -0.564 1
1 742 . 5 1 1 A 61 61 ASP N N 139 120.408 119.981 0.427 1
1 743 . 5 1 1 A 62 62 TYR H H 140 7.553 7.947 -0.394 1
1 744 . 5 1 1 A 62 62 TYR HA H 140 4.611 4.425 0.186 1
1 751 . 5 1 1 A 62 62 TYR C C 140 176.791 177.931 -1.140 1
1 752 . 5 1 1 A 62 62 TYR CA C 140 59.811 60.005 -0.194 1
1 753 . 5 1 1 A 62 62 TYR CB C 140 37.453 37.513 -0.060 1
1 758 . 5 1 1 A 62 62 TYR N N 140 118.187 119.924 -1.737 1
1 759 . 5 1 1 A 63 63 VAL H H 141 7.645 7.897 -0.252 1
1 760 . 5 1 1 A 63 63 VAL HA H 141 3.861 3.859 0.002 1
1 768 . 5 1 1 A 63 63 VAL C C 141 176.409 178.174 -1.765 1
1 769 . 5 1 1 A 63 63 VAL CA C 141 63.504 66.217 -2.713 1
1 770 . 5 1 1 A 63 63 VAL CB C 141 31.598 31.258 0.340 1
1 773 . 5 1 1 A 63 63 VAL N N 141 118.945 122.047 -3.102 1
1 774 . 5 1 1 A 64 64 SER H H 142 7.611 8.311 -0.700 1
1 775 . 5 1 1 A 64 64 SER HA H 142 4.234 4.285 -0.051 1
1 778 . 5 1 1 A 64 64 SER C C 142 175.035 175.471 -0.436 1
1 779 . 5 1 1 A 64 64 SER CA C 142 60.628 60.696 -0.068 1
1 780 . 5 1 1 A 64 64 SER CB C 142 63.183 62.732 0.451 1
1 781 . 5 1 1 A 64 64 SER N N 142 113.661 115.889 -2.228 1
1 782 . 5 1 1 A 65 65 ASP H H 143 7.440 7.886 -0.446 1
1 783 . 5 1 1 A 65 65 ASP HA H 143 4.568 4.552 0.016 1
1 786 . 5 1 1 A 65 65 ASP C C 143 175.376 176.150 -0.774 1
1 787 . 5 1 1 A 65 65 ASP CA C 143 55.077 55.231 -0.154 1
1 788 . 5 1 1 A 65 65 ASP CB C 143 40.913 41.611 -0.698 1
1 789 . 5 1 1 A 65 65 ASP N N 143 118.332 119.748 -1.416 1
1 790 . 5 1 1 A 66 66 PHE H H 144 8.115 7.815 0.300 1
1 791 . 5 1 1 A 66 66 PHE HA H 144 4.369 4.843 -0.474 1
1 798 . 5 1 1 A 66 66 PHE C C 144 174.524 175.105 -0.581 1
1 799 . 5 1 1 A 66 66 PHE CA C 144 57.705 57.631 0.074 1
1 800 . 5 1 1 A 66 66 PHE CB C 144 41.033 40.479 0.554 1
1 805 . 5 1 1 A 66 66 PHE N N 144 120.277 117.208 3.069 1
1 806 . 5 1 1 A 67 67 LYS H H 145 8.688 8.597 0.091 1
1 807 . 5 1 1 A 67 67 LYS HA H 145 4.671 4.486 0.185 1
1 816 . 5 1 1 A 67 67 LYS C C 145 175.437 176.276 -0.839 1
1 817 . 5 1 1 A 67 67 LYS CA C 145 55.418 55.877 -0.459 1
1 818 . 5 1 1 A 67 67 LYS CB C 145 31.784 31.514 0.270 1
1 822 . 5 1 1 A 67 67 LYS N N 145 122.931 123.009 -0.078 1
1 823 . 5 1 1 A 68 68 LEU H H 146 9.642 8.619 1.023 1
1 824 . 5 1 1 A 68 68 LEU HA H 146 4.484 4.425 0.059 1
1 834 . 5 1 1 A 68 68 LEU C C 146 175.512 176.569 -1.057 1
1 835 . 5 1 1 A 68 68 LEU CA C 146 54.375 55.977 -1.602 1
1 836 . 5 1 1 A 68 68 LEU CB C 146 44.114 42.599 1.515 1
1 840 . 5 1 1 A 68 68 LEU N N 146 123.156 125.462 -2.306 1
1 841 . 5 1 1 A 69 69 ALA H H 147 7.586 7.520 0.066 1
1 842 . 5 1 1 A 69 69 ALA HA H 147 4.597 4.621 -0.024 1
1 846 . 5 1 1 A 69 69 ALA C C 147 173.720 176.717 -2.997 1
1 847 . 5 1 1 A 69 69 ALA CA C 147 49.637 50.560 -0.923 1
1 848 . 5 1 1 A 69 69 ALA CB C 147 22.691 21.485 1.206 1
1 849 . 5 1 1 A 69 69 ALA N N 147 117.486 117.364 0.122 1
1 850 . 5 1 1 A 70 70 PRO HA H 148 4.578 4.503 0.075 1
1 857 . 5 1 1 A 70 70 PRO C C 148 176.996 176.681 0.315 1
1 858 . 5 1 1 A 70 70 PRO CA C 148 64.435 64.512 -0.077 1
1 859 . 5 1 1 A 70 70 PRO CB C 148 31.448 32.274 -0.826 1
1 862 . 5 1 1 A 71 71 ASN H H 149 8.221 8.038 0.183 1
1 863 . 5 1 1 A 71 71 ASN HA H 149 4.783 5.052 -0.269 1
1 868 . 5 1 1 A 71 71 ASN C C 149 173.865 173.745 0.120 1
1 869 . 5 1 1 A 71 71 ASN CA C 149 52.308 51.368 0.940 1
1 870 . 5 1 1 A 71 71 ASN CB C 149 38.065 38.657 -0.592 1
1 871 . 5 1 1 A 71 71 ASN N N 149 116.940 115.137 1.803 1
1 873 . 5 1 1 A 72 72 GLN H H 150 8.467 8.693 -0.226 1
1 874 . 5 1 1 A 72 72 GLN HA H 150 3.962 4.526 -0.564 1
1 881 . 5 1 1 A 72 72 GLN C C 150 174.832 174.719 0.113 1
1 882 . 5 1 1 A 72 72 GLN CA C 150 57.793 56.278 1.515 1
1 883 . 5 1 1 A 72 72 GLN CB C 150 29.029 29.272 -0.243 1
1 885 . 5 1 1 A 72 72 GLN N N 150 123.793 125.133 -1.340 1
1 887 . 5 1 1 A 73 73 THR H H 151 7.040 8.437 -1.397 1
1 888 . 5 1 1 A 73 73 THR HA H 151 4.668 4.841 -0.173 1
1 893 . 5 1 1 A 73 73 THR C C 151 175.175 175.166 0.009 1
1 894 . 5 1 1 A 73 73 THR CA C 151 59.504 59.692 -0.188 1
1 895 . 5 1 1 A 73 73 THR CB C 151 72.544 71.300 1.244 1
1 897 . 5 1 1 A 73 73 THR N N 151 115.239 121.995 -6.756 1
1 898 . 5 1 1 A 74 74 LYS H H 152 8.949 9.034 -0.085 1
1 899 . 5 1 1 A 74 74 LYS HA H 152 4.109 3.996 0.113 1
1 908 . 5 1 1 A 74 74 LYS C C 152 178.758 178.184 0.574 1
1 909 . 5 1 1 A 74 74 LYS CA C 152 58.521 60.301 -1.780 1
1 910 . 5 1 1 A 74 74 LYS CB C 152 31.372 32.104 -0.732 1
1 914 . 5 1 1 A 74 74 LYS N N 152 122.065 126.486 -4.421 1
1 915 . 5 1 1 A 75 75 GLU H H 153 8.762 8.383 0.379 1
1 916 . 5 1 1 A 75 75 GLU HA H 153 4.098 4.079 0.019 1
1 921 . 5 1 1 A 75 75 GLU C C 153 179.947 179.423 0.524 1
1 922 . 5 1 1 A 75 75 GLU CA C 153 60.405 59.212 1.193 1
1 923 . 5 1 1 A 75 75 GLU CB C 153 28.999 29.246 -0.247 1
1 925 . 5 1 1 A 75 75 GLU N N 153 118.335 119.505 -1.170 1
1 926 . 5 1 1 A 76 76 LEU H H 154 7.726 8.361 -0.635 1
1 927 . 5 1 1 A 76 76 LEU HA H 154 4.061 4.006 0.055 1
1 937 . 5 1 1 A 76 76 LEU C C 154 178.292 178.733 -0.441 1
1 938 . 5 1 1 A 76 76 LEU CA C 154 58.188 57.870 0.318 1
1 939 . 5 1 1 A 76 76 LEU CB C 154 41.061 41.780 -0.719 1
1 943 . 5 1 1 A 76 76 LEU N N 154 121.434 121.898 -0.464 1
1 944 . 5 1 1 A 77 77 GLU H H 155 8.044 8.625 -0.581 1
1 945 . 5 1 1 A 77 77 GLU HA H 155 3.394 3.911 -0.517 1
1 950 . 5 1 1 A 77 77 GLU C C 155 178.363 179.527 -1.164 1
1 951 . 5 1 1 A 77 77 GLU CA C 155 60.409 59.942 0.467 1
1 952 . 5 1 1 A 77 77 GLU CB C 155 28.697 29.186 -0.489 1
1 954 . 5 1 1 A 77 77 GLU N N 155 118.172 118.982 -0.810 1
1 955 . 5 1 1 A 78 78 GLU H H 156 8.657 8.773 -0.116 1
1 956 . 5 1 1 A 78 78 GLU HA H 156 3.945 4.008 -0.063 1
1 961 . 5 1 1 A 78 78 GLU C C 156 179.197 178.975 0.222 1
1 962 . 5 1 1 A 78 78 GLU CA C 156 59.869 59.286 0.583 1
1 963 . 5 1 1 A 78 78 GLU CB C 156 29.466 29.122 0.344 1
1 965 . 5 1 1 A 78 78 GLU N N 156 117.944 120.279 -2.335 1
1 966 . 5 1 1 A 79 79 LYS H H 157 7.564 7.766 -0.202 1
1 967 . 5 1 1 A 79 79 LYS HA H 157 4.245 4.154 0.091 1
1 976 . 5 1 1 A 79 79 LYS C C 157 178.328 178.931 -0.603 1
1 977 . 5 1 1 A 79 79 LYS CA C 157 57.557 58.914 -1.357 1
1 978 . 5 1 1 A 79 79 LYS CB C 157 30.969 32.354 -1.385 1
1 982 . 5 1 1 A 79 79 LYS N N 157 121.118 121.241 -0.123 1
1 983 . 5 1 1 A 80 80 VAL H H 158 8.412 7.693 0.719 1
1 984 . 5 1 1 A 80 80 VAL HA H 158 3.314 3.512 -0.198 1
1 992 . 5 1 1 A 80 80 VAL C C 158 177.623 178.037 -0.414 1
1 993 . 5 1 1 A 80 80 VAL CA C 158 67.250 66.324 0.926 1
1 994 . 5 1 1 A 80 80 VAL CB C 158 30.867 31.770 -0.903 1
1 997 . 5 1 1 A 80 80 VAL N N 158 119.270 120.158 -0.888 1
1 998 . 5 1 1 A 81 81 MET H H 159 8.212 7.982 0.230 1
1 999 . 5 1 1 A 81 81 MET HA H 159 4.039 4.264 -0.225 1
1 1007 . 5 1 1 A 81 81 MET C C 159 177.305 178.493 -1.188 1
1 1008 . 5 1 1 A 81 81 MET CA C 159 59.998 59.121 0.877 1
1 1009 . 5 1 1 A 81 81 MET CB C 159 33.605 33.206 0.399 1
1 1012 . 5 1 1 A 81 81 MET N N 159 117.924 117.620 0.304 1
1 1013 . 5 1 1 A 82 82 GLU H H 160 7.780 8.611 -0.831 1
1 1014 . 5 1 1 A 82 82 GLU HA H 160 3.768 4.000 -0.232 1
1 1019 . 5 1 1 A 82 82 GLU C C 160 179.468 178.844 0.624 1
1 1020 . 5 1 1 A 82 82 GLU CA C 160 59.555 59.069 0.486 1
1 1021 . 5 1 1 A 82 82 GLU CB C 160 29.831 29.433 0.398 1
1 1023 . 5 1 1 A 82 82 GLU N N 160 119.282 120.470 -1.188 1
1 1024 . 5 1 1 A 83 83 LEU H H 161 7.748 8.217 -0.469 1
1 1025 . 5 1 1 A 83 83 LEU HA H 161 3.756 3.604 0.152 1
1 1035 . 5 1 1 A 83 83 LEU C C 161 179.113 178.424 0.689 1
1 1036 . 5 1 1 A 83 83 LEU CA C 161 57.246 57.541 -0.295 1
1 1037 . 5 1 1 A 83 83 LEU CB C 161 41.824 41.492 0.332 1
1 1041 . 5 1 1 A 83 83 LEU N N 161 118.542 120.100 -1.558 1
1 1042 . 5 1 1 A 84 84 HIS H H 162 8.842 8.096 0.746 1
1 1043 . 5 1 1 A 84 84 HIS HA H 162 3.986 4.206 -0.220 1
1 1047 . 5 1 1 A 84 84 HIS C C 162 178.286 177.418 0.868 1
1 1048 . 5 1 1 A 84 84 HIS CA C 162 58.407 60.304 -1.897 1
1 1049 . 5 1 1 A 84 84 HIS CB C 162 32.405 30.046 2.359 1
1 1051 . 5 1 1 A 84 84 HIS N N 162 120.325 118.000 2.325 1
1 1052 . 5 1 1 A 85 85 LYS H H 163 7.951 8.131 -0.180 1
1 1053 . 5 1 1 A 85 85 LYS HA H 163 3.383 4.065 -0.682 1
1 1062 . 5 1 1 A 85 85 LYS C C 163 177.303 179.835 -2.532 1
1 1063 . 5 1 1 A 85 85 LYS CA C 163 59.730 59.471 0.259 1
1 1064 . 5 1 1 A 85 85 LYS CB C 163 32.489 31.633 0.856 1
1 1068 . 5 1 1 A 85 85 LYS N N 163 116.598 118.479 -1.881 1
1 1069 . 5 1 1 A 86 86 SER H H 164 7.334 8.036 -0.702 1
1 1070 . 5 1 1 A 86 86 SER HA H 164 4.442 4.157 0.285 1
1 1073 . 5 1 1 A 86 86 SER C C 164 175.296 174.293 1.003 1
1 1074 . 5 1 1 A 86 86 SER CA C 164 59.708 60.654 -0.946 1
1 1075 . 5 1 1 A 86 86 SER CB C 164 64.669 62.906 1.763 1
1 1076 . 5 1 1 A 86 86 SER N N 164 113.922 113.767 0.155 1
1 1077 . 5 1 1 A 87 87 TYR H H 165 7.321 7.274 0.047 1
1 1078 . 5 1 1 A 87 87 TYR HA H 165 5.037 4.607 0.430 1
1 1085 . 5 1 1 A 87 87 TYR C C 165 175.143 175.427 -0.284 1
1 1086 . 5 1 1 A 87 87 TYR CA C 165 54.570 58.772 -4.202 1
1 1087 . 5 1 1 A 87 87 TYR CB C 165 36.575 38.640 -2.065 1
1 1092 . 5 1 1 A 87 87 TYR N N 165 123.163 120.034 3.129 1
1 1093 . 5 1 1 A 88 88 ARG H H 166 7.263 8.682 -1.419 1
1 1094 . 5 1 1 A 88 88 ARG HA H 166 4.264 4.546 -0.282 1
1 1102 . 5 1 1 A 88 88 ARG C C 166 177.455 176.112 1.343 1
1 1103 . 5 1 1 A 88 88 ARG CA C 166 58.086 55.747 2.339 1
1 1104 . 5 1 1 A 88 88 ARG CB C 166 30.702 31.520 -0.818 1
1 1107 . 5 1 1 A 88 88 ARG N N 166 119.334 124.356 -5.022 1
1 1108 . 5 1 1 A 89 89 SER H H 167 10.206 8.429 1.777 1
1 1109 . 5 1 1 A 89 89 SER HA H 167 4.265 4.547 -0.282 1
1 1112 . 5 1 1 A 89 89 SER C C 167 174.371 173.572 0.799 1
1 1113 . 5 1 1 A 89 89 SER CA C 167 60.818 57.808 3.010 1
1 1114 . 5 1 1 A 89 89 SER CB C 167 62.576 62.310 0.266 1
1 1115 . 5 1 1 A 89 89 SER N N 167 121.486 115.775 5.711 1
1 1116 . 5 1 1 A 90 90 MET H H 168 8.409 9.468 -1.059 1
1 1117 . 5 1 1 A 90 90 MET HA H 168 4.531 4.730 -0.199 1
1 1125 . 5 1 1 A 90 90 MET C C 168 177.396 175.671 1.725 1
1 1126 . 5 1 1 A 90 90 MET CA C 168 56.283 54.829 1.454 1
1 1127 . 5 1 1 A 90 90 MET CB C 168 35.048 33.974 1.074 1
1 1130 . 5 1 1 A 90 90 MET N N 168 124.849 125.304 -0.455 1
1 1131 . 5 1 1 A 91 91 THR H H 169 8.981 8.986 -0.005 1
1 1132 . 5 1 1 A 91 91 THR HA H 169 4.589 5.072 -0.483 1
1 1137 . 5 1 1 A 91 91 THR C C 169 173.532 174.786 -1.254 1
1 1138 . 5 1 1 A 91 91 THR CA C 169 61.052 59.438 1.614 1
1 1139 . 5 1 1 A 91 91 THR CB C 169 68.249 69.287 -1.038 1
1 1141 . 5 1 1 A 91 91 THR N N 169 122.910 113.945 8.965 1
1 1142 . 5 1 1 A 92 92 PRO HA H 170 4.151 4.201 -0.050 1
1 1147 . 5 1 1 A 92 92 PRO C C 170 177.481 178.268 -0.787 1
1 1148 . 5 1 1 A 92 92 PRO CA C 170 66.599 66.042 0.557 1
1 1149 . 5 1 1 A 92 92 PRO CB C 170 31.740 31.441 0.299 1
1 1151 . 5 1 1 A 93 93 ALA H H 171 7.833 8.367 -0.534 1
1 1152 . 5 1 1 A 93 93 ALA HA H 171 4.135 3.947 0.188 1
1 1156 . 5 1 1 A 93 93 ALA C C 171 180.982 180.637 0.345 1
1 1157 . 5 1 1 A 93 93 ALA CA C 171 54.982 55.412 -0.430 1
1 1158 . 5 1 1 A 93 93 ALA CB C 171 18.373 18.547 -0.174 1
1 1159 . 5 1 1 A 93 93 ALA N N 171 115.945 118.184 -2.239 1
1 1160 . 5 1 1 A 94 94 GLN H H 172 7.868 7.770 0.098 1
1 1161 . 5 1 1 A 94 94 GLN HA H 172 3.911 4.006 -0.095 1
1 1168 . 5 1 1 A 94 94 GLN C C 172 178.279 178.320 -0.041 1
1 1169 . 5 1 1 A 94 94 GLN CA C 172 58.547 58.716 -0.169 1
1 1170 . 5 1 1 A 94 94 GLN CB C 172 28.318 28.355 -0.037 1
1 1172 . 5 1 1 A 94 94 GLN N N 172 118.910 118.150 0.760 1
1 1174 . 5 1 1 A 95 95 ALA H H 173 8.459 7.793 0.666 1
1 1175 . 5 1 1 A 95 95 ALA HA H 173 4.066 3.828 0.238 1
1 1179 . 5 1 1 A 95 95 ALA C C 173 179.362 179.779 -0.417 1
1 1180 . 5 1 1 A 95 95 ALA CA C 173 55.413 55.324 0.089 1
1 1181 . 5 1 1 A 95 95 ALA CB C 173 17.730 18.543 -0.813 1
1 1182 . 5 1 1 A 95 95 ALA N N 173 123.672 122.451 1.221 1
1 1183 . 5 1 1 A 96 96 ASP H H 174 8.541 8.175 0.366 1
1 1184 . 5 1 1 A 96 96 ASP HA H 174 4.317 4.380 -0.063 1
1 1187 . 5 1 1 A 96 96 ASP C C 174 178.340 178.500 -0.160 1
1 1188 . 5 1 1 A 96 96 ASP CA C 174 57.230 57.476 -0.246 1
1 1189 . 5 1 1 A 96 96 ASP CB C 174 40.024 40.417 -0.393 1
1 1190 . 5 1 1 A 96 96 ASP N N 174 119.397 119.793 -0.396 1
1 1191 . 5 1 1 A 97 97 LEU H H 175 7.798 8.098 -0.300 1
1 1192 . 5 1 1 A 97 97 LEU HA H 175 3.968 4.121 -0.153 1
1 1202 . 5 1 1 A 97 97 LEU C C 175 179.822 178.622 1.200 1
1 1203 . 5 1 1 A 97 97 LEU CA C 175 58.737 57.284 1.453 1
1 1204 . 5 1 1 A 97 97 LEU CB C 175 41.661 41.133 0.528 1
1 1208 . 5 1 1 A 97 97 LEU N N 175 120.724 120.274 0.450 1
1 1209 . 5 1 1 A 98 98 GLU H H 176 8.172 8.000 0.172 1
1 1210 . 5 1 1 A 98 98 GLU HA H 176 3.885 3.683 0.202 1
1 1215 . 5 1 1 A 98 98 GLU C C 176 180.447 178.838 1.609 1
1 1216 . 5 1 1 A 98 98 GLU CA C 176 58.870 59.388 -0.518 1
1 1217 . 5 1 1 A 98 98 GLU CB C 176 27.413 28.447 -1.034 1
1 1219 . 5 1 1 A 98 98 GLU N N 176 119.724 119.529 0.195 1
1 1220 . 5 1 1 A 99 99 PHE H H 177 8.542 7.739 0.803 1
1 1221 . 5 1 1 A 99 99 PHE HA H 177 3.819 4.124 -0.305 1
1 1229 . 5 1 1 A 99 99 PHE C C 177 176.805 177.049 -0.244 1
1 1230 . 5 1 1 A 99 99 PHE CA C 177 62.277 61.312 0.965 1
1 1231 . 5 1 1 A 99 99 PHE CB C 177 38.948 39.239 -0.291 1
1 1237 . 5 1 1 A 99 99 PHE N N 177 123.837 121.300 2.537 1
1 1238 . 5 1 1 A 100 100 LEU H H 178 8.532 8.414 0.118 1
1 1239 . 5 1 1 A 100 100 LEU HA H 178 4.028 4.021 0.007 1
1 1249 . 5 1 1 A 100 100 LEU C C 178 179.884 179.399 0.485 1
1 1250 . 5 1 1 A 100 100 LEU CA C 178 58.046 58.066 -0.020 1
1 1251 . 5 1 1 A 100 100 LEU CB C 178 41.419 41.360 0.059 1
1 1255 . 5 1 1 A 100 100 LEU N N 178 119.496 119.074 0.422 1
1 1256 . 5 1 1 A 101 101 GLU H H 179 8.769 8.209 0.560 1
1 1257 . 5 1 1 A 101 101 GLU HA H 179 4.043 3.966 0.077 1
1 1262 . 5 1 1 A 101 101 GLU C C 179 179.881 179.441 0.440 1
1 1263 . 5 1 1 A 101 101 GLU CA C 179 59.465 59.717 -0.252 1
1 1264 . 5 1 1 A 101 101 GLU CB C 179 29.478 29.118 0.360 1
1 1266 . 5 1 1 A 101 101 GLU N N 179 120.825 118.133 2.692 1
1 1267 . 5 1 1 A 102 102 ASN H H 180 7.865 7.755 0.110 1
1 1268 . 5 1 1 A 102 102 ASN HA H 180 4.329 4.397 -0.068 1
1 1273 . 5 1 1 A 102 102 ASN C C 180 176.692 177.476 -0.784 1
1 1274 . 5 1 1 A 102 102 ASN CA C 180 57.537 55.784 1.753 1
1 1275 . 5 1 1 A 102 102 ASN CB C 180 40.085 38.267 1.818 1
1 1276 . 5 1 1 A 102 102 ASN N N 180 116.591 118.391 -1.800 1
1 1278 . 5 1 1 A 103 103 ALA H H 181 8.744 8.313 0.431 1
1 1279 . 5 1 1 A 103 103 ALA HA H 181 4.130 3.900 0.230 1
1 1283 . 5 1 1 A 103 103 ALA C C 181 179.546 179.521 0.025 1
1 1284 . 5 1 1 A 103 103 ALA CA C 181 55.148 54.920 0.228 1
1 1285 . 5 1 1 A 103 103 ALA CB C 181 18.154 18.180 -0.026 1
1 1286 . 5 1 1 A 103 103 ALA N N 181 122.431 122.321 0.110 1
1 1287 . 5 1 1 A 104 104 LYS H H 182 8.493 7.875 0.618 1
1 1288 . 5 1 1 A 104 104 LYS HA H 182 3.786 3.990 -0.204 1
1 1297 . 5 1 1 A 104 104 LYS C C 182 180.012 178.941 1.071 1
1 1298 . 5 1 1 A 104 104 LYS CA C 182 58.547 59.183 -0.636 1
1 1299 . 5 1 1 A 104 104 LYS CB C 182 31.194 31.920 -0.726 1
1 1303 . 5 1 1 A 104 104 LYS N N 182 119.195 117.890 1.305 1
1 1304 . 5 1 1 A 105 105 LYS H H 183 7.661 7.470 0.191 1
1 1305 . 5 1 1 A 105 105 LYS HA H 183 4.111 4.121 -0.010 1
1 1314 . 5 1 1 A 105 105 LYS C C 183 178.010 177.879 0.131 1
1 1315 . 5 1 1 A 105 105 LYS CA C 183 58.823 58.339 0.484 1
1 1316 . 5 1 1 A 105 105 LYS CB C 183 32.287 32.368 -0.081 1
1 1320 . 5 1 1 A 105 105 LYS N N 183 120.301 118.561 1.740 1
1 1321 . 5 1 1 A 106 106 LEU H H 184 7.403 7.340 0.063 1
1 1322 . 5 1 1 A 106 106 LEU HA H 184 4.385 4.385 0.000 1
1 1331 . 5 1 1 A 106 106 LEU C C 184 176.332 176.519 -0.187 1
1 1332 . 5 1 1 A 106 106 LEU CA C 184 54.857 54.815 0.042 1
1 1333 . 5 1 1 A 106 106 LEU CB C 184 42.054 42.947 -0.893 1
1 1336 . 5 1 1 A 106 106 LEU N N 184 118.606 118.804 -0.198 1
1 1337 . 5 1 1 A 107 107 SER H H 185 8.123 7.705 0.418 1
1 1338 . 5 1 1 A 107 107 SER HA H 185 4.202 4.169 0.033 1
1 1341 . 5 1 1 A 107 107 SER C C 185 174.826 175.211 -0.385 1
1 1342 . 5 1 1 A 107 107 SER CA C 185 58.894 59.059 -0.165 1
1 1343 . 5 1 1 A 107 107 SER CB C 185 61.684 61.770 -0.086 1
1 1344 . 5 1 1 A 107 107 SER N N 185 113.023 113.576 -0.553 1
1 1345 . 5 1 1 A 108 108 MET H H 186 8.212 7.995 0.217 1
1 1346 . 5 1 1 A 108 108 MET HA H 186 4.188 4.535 -0.347 1
1 1354 . 5 1 1 A 108 108 MET C C 186 174.495 176.299 -1.804 1
1 1355 . 5 1 1 A 108 108 MET CA C 186 57.328 54.809 2.519 1
1 1356 . 5 1 1 A 108 108 MET CB C 186 33.414 31.748 1.666 1
1 1359 . 5 1 1 A 108 108 MET N N 186 117.267 118.458 -1.191 1
1 4 . 6 1 1 A 2 2 SER HA H 80 4.477 5.156 -0.679 1
1 7 . 6 1 1 A 2 2 SER CA C 80 58.344 57.821 0.523 1
1 8 . 6 1 1 A 2 2 SER CB C 80 64.002 65.337 -1.335 1
1 9 . 6 1 1 A 3 3 HIS HA H 81 4.614 5.214 -0.600 1
1 13 . 6 1 1 A 3 3 HIS C C 81 174.681 173.498 1.183 1
1 14 . 6 1 1 A 3 3 HIS CA C 81 56.231 55.632 0.599 1
1 15 . 6 1 1 A 3 3 HIS CB C 81 29.839 33.780 -3.941 1
1 17 . 6 1 1 A 4 4 MET H H 82 8.285 8.121 0.164 1
1 18 . 6 1 1 A 4 4 MET HA H 82 4.416 4.770 -0.354 1
1 26 . 6 1 1 A 4 4 MET C C 82 175.286 173.456 1.830 1
1 27 . 6 1 1 A 4 4 MET CA C 82 55.165 55.130 0.035 1
1 28 . 6 1 1 A 4 4 MET CB C 82 32.988 36.534 -3.546 1
1 31 . 6 1 1 A 4 4 MET N N 82 121.559 122.642 -1.083 1
1 32 . 6 1 1 A 5 5 ASP H H 83 8.362 8.808 -0.446 1
1 33 . 6 1 1 A 5 5 ASP HA H 83 4.844 5.070 -0.226 1
1 36 . 6 1 1 A 5 5 ASP C C 83 175.239 175.872 -0.633 1
1 37 . 6 1 1 A 5 5 ASP CA C 83 52.238 50.276 1.962 1
1 38 . 6 1 1 A 5 5 ASP CB C 83 41.471 42.508 -1.037 1
1 39 . 6 1 1 A 5 5 ASP N N 83 124.060 121.915 2.145 1
1 40 . 6 1 1 A 6 6 PRO HA H 84 4.327 4.431 -0.104 1
1 47 . 6 1 1 A 6 6 PRO C C 84 177.388 178.505 -1.117 1
1 48 . 6 1 1 A 6 6 PRO CA C 84 64.084 64.612 -0.528 1
1 49 . 6 1 1 A 6 6 PRO CB C 84 32.022 31.978 0.044 1
1 52 . 6 1 1 A 7 7 ALA H H 85 8.406 7.750 0.656 1
1 53 . 6 1 1 A 7 7 ALA HA H 85 4.239 4.064 0.175 1
1 57 . 6 1 1 A 7 7 ALA C C 85 178.462 177.722 0.740 1
1 58 . 6 1 1 A 7 7 ALA CA C 85 53.223 55.339 -2.116 1
1 59 . 6 1 1 A 7 7 ALA CB C 85 18.801 18.608 0.193 1
1 60 . 6 1 1 A 7 7 ALA N N 85 121.868 118.996 2.872 1
1 61 . 6 1 1 A 8 8 GLN H H 86 7.985 7.867 0.118 1
1 62 . 6 1 1 A 8 8 GLN HA H 86 4.264 4.115 0.149 1
1 69 . 6 1 1 A 8 8 GLN C C 86 176.124 175.346 0.778 1
1 70 . 6 1 1 A 8 8 GLN CA C 86 56.101 57.069 -0.968 1
1 71 . 6 1 1 A 8 8 GLN CB C 86 29.456 26.211 3.245 1
1 73 . 6 1 1 A 8 8 GLN N N 86 117.727 112.645 5.082 1
1 75 . 6 1 1 A 9 9 LEU H H 87 8.102 7.978 0.124 1
1 76 . 6 1 1 A 9 9 LEU HA H 87 4.394 4.359 0.035 1
1 86 . 6 1 1 A 9 9 LEU C C 87 177.923 178.264 -0.341 1
1 87 . 6 1 1 A 9 9 LEU CA C 87 55.454 56.272 -0.818 1
1 88 . 6 1 1 A 9 9 LEU CB C 87 42.188 42.745 -0.557 1
1 92 . 6 1 1 A 9 9 LEU N N 87 122.045 116.352 5.693 1
1 93 . 6 1 1 A 10 10 THR H H 88 7.902 8.359 -0.457 1
1 94 . 6 1 1 A 10 10 THR HA H 88 4.258 4.016 0.242 1
1 99 . 6 1 1 A 10 10 THR C C 88 175.742 176.624 -0.882 1
1 100 . 6 1 1 A 10 10 THR CA C 88 62.974 65.796 -2.822 1
1 101 . 6 1 1 A 10 10 THR CB C 88 69.759 68.282 1.477 1
1 103 . 6 1 1 A 10 10 THR N N 88 113.859 112.672 1.187 1
1 104 . 6 1 1 A 11 11 GLU H H 89 8.594 8.391 0.203 1
1 105 . 6 1 1 A 11 11 GLU HA H 89 4.213 3.977 0.236 1
1 110 . 6 1 1 A 11 11 GLU C C 89 177.577 178.052 -0.475 1
1 111 . 6 1 1 A 11 11 GLU CA C 89 58.496 59.323 -0.827 1
1 112 . 6 1 1 A 11 11 GLU CB C 89 29.751 29.546 0.205 1
1 114 . 6 1 1 A 11 11 GLU N N 89 122.144 122.010 0.134 1
1 115 . 6 1 1 A 12 12 ASP H H 90 8.244 7.894 0.350 1
1 116 . 6 1 1 A 12 12 ASP HA H 90 4.419 4.402 0.017 1
1 119 . 6 1 1 A 12 12 ASP C C 90 178.623 178.539 0.084 1
1 120 . 6 1 1 A 12 12 ASP CA C 90 56.589 57.418 -0.829 1
1 121 . 6 1 1 A 12 12 ASP CB C 90 40.332 40.779 -0.447 1
1 122 . 6 1 1 A 12 12 ASP N N 90 119.922 120.056 -0.134 1
1 123 . 6 1 1 A 13 13 ILE H H 91 8.092 8.056 0.036 1
1 124 . 6 1 1 A 13 13 ILE HA H 91 3.987 3.556 0.431 1
1 134 . 6 1 1 A 13 13 ILE C C 91 177.124 178.230 -1.106 1
1 135 . 6 1 1 A 13 13 ILE CA C 91 63.562 65.208 -1.646 1
1 136 . 6 1 1 A 13 13 ILE CB C 91 37.830 37.359 0.471 1
1 140 . 6 1 1 A 13 13 ILE N N 91 122.909 119.191 3.718 1
1 141 . 6 1 1 A 14 14 THR H H 92 8.045 8.849 -0.804 1
1 142 . 6 1 1 A 14 14 THR HA H 92 4.040 4.008 0.032 1
1 147 . 6 1 1 A 14 14 THR C C 92 177.358 176.894 0.464 1
1 148 . 6 1 1 A 14 14 THR CA C 92 66.244 65.635 0.609 1
1 149 . 6 1 1 A 14 14 THR CB C 92 68.629 69.067 -0.438 1
1 151 . 6 1 1 A 14 14 THR N N 92 116.529 114.351 2.178 1
1 152 . 6 1 1 A 15 15 ARG H H 93 7.984 8.146 -0.162 1
1 153 . 6 1 1 A 15 15 ARG HA H 93 3.974 3.931 0.043 1
1 161 . 6 1 1 A 15 15 ARG C C 93 177.719 177.811 -0.092 1
1 162 . 6 1 1 A 15 15 ARG CA C 93 60.312 59.422 0.890 1
1 163 . 6 1 1 A 15 15 ARG CB C 93 30.591 29.703 0.888 1
1 166 . 6 1 1 A 15 15 ARG N N 93 121.521 121.180 0.341 1
1 167 . 6 1 1 A 16 16 TYR H H 94 7.948 7.971 -0.023 1
1 168 . 6 1 1 A 16 16 TYR HA H 94 4.045 4.215 -0.170 1
1 175 . 6 1 1 A 16 16 TYR C C 94 177.690 177.136 0.554 1
1 176 . 6 1 1 A 16 16 TYR CA C 94 61.568 61.309 0.259 1
1 177 . 6 1 1 A 16 16 TYR CB C 94 37.543 38.117 -0.574 1
1 182 . 6 1 1 A 16 16 TYR N N 94 120.911 120.439 0.472 1
1 183 . 6 1 1 A 17 17 TYR H H 95 8.143 7.711 0.432 1
1 184 . 6 1 1 A 17 17 TYR HA H 95 4.049 3.978 0.071 1
1 191 . 6 1 1 A 17 17 TYR C C 95 179.000 178.107 0.893 1
1 192 . 6 1 1 A 17 17 TYR CA C 95 61.454 61.894 -0.440 1
1 193 . 6 1 1 A 17 17 TYR CB C 95 37.483 37.912 -0.429 1
1 198 . 6 1 1 A 17 17 TYR N N 95 117.066 118.125 -1.059 1
1 199 . 6 1 1 A 18 18 LEU H H 96 7.976 8.810 -0.834 1
1 200 . 6 1 1 A 18 18 LEU HA H 96 4.203 3.957 0.246 1
1 210 . 6 1 1 A 18 18 LEU C C 96 178.998 178.449 0.549 1
1 211 . 6 1 1 A 18 18 LEU CA C 96 58.097 58.157 -0.060 1
1 212 . 6 1 1 A 18 18 LEU CB C 96 41.814 41.486 0.328 1
1 216 . 6 1 1 A 18 18 LEU N N 96 123.012 120.814 2.198 1
1 217 . 6 1 1 A 19 19 CYS H H 97 8.163 8.716 -0.553 1
1 218 . 6 1 1 A 19 19 CYS HA H 97 3.783 4.176 -0.393 1
1 221 . 6 1 1 A 19 19 CYS C C 97 176.663 177.207 -0.544 1
1 222 . 6 1 1 A 19 19 CYS CA C 97 64.973 63.528 1.445 1
1 223 . 6 1 1 A 19 19 CYS CB C 97 25.966 27.317 -1.351 1
1 224 . 6 1 1 A 19 19 CYS N N 97 117.202 117.145 0.057 1
1 225 . 6 1 1 A 20 20 LEU H H 98 7.863 8.128 -0.265 1
1 226 . 6 1 1 A 20 20 LEU HA H 98 3.681 3.860 -0.179 1
1 236 . 6 1 1 A 20 20 LEU C C 98 179.392 179.688 -0.296 1
1 237 . 6 1 1 A 20 20 LEU CA C 98 58.319 57.976 0.343 1
1 238 . 6 1 1 A 20 20 LEU CB C 98 41.944 41.396 0.548 1
1 242 . 6 1 1 A 20 20 LEU N N 98 118.833 120.431 -1.598 1
1 243 . 6 1 1 A 21 21 GLN H H 99 7.658 7.869 -0.211 1
1 244 . 6 1 1 A 21 21 GLN HA H 99 3.909 4.042 -0.133 1
1 251 . 6 1 1 A 21 21 GLN C C 99 178.326 179.353 -1.027 1
1 252 . 6 1 1 A 21 21 GLN CA C 99 58.704 58.310 0.394 1
1 253 . 6 1 1 A 21 21 GLN CB C 99 28.630 28.485 0.145 1
1 255 . 6 1 1 A 21 21 GLN N N 99 118.958 118.728 0.230 1
1 257 . 6 1 1 A 22 22 LEU H H 100 8.214 8.336 -0.122 1
1 258 . 6 1 1 A 22 22 LEU HA H 100 4.150 4.118 0.032 1
1 268 . 6 1 1 A 22 22 LEU C C 100 179.438 179.268 0.170 1
1 269 . 6 1 1 A 22 22 LEU CA C 100 58.320 57.878 0.442 1
1 270 . 6 1 1 A 22 22 LEU CB C 100 42.816 41.430 1.386 1
1 274 . 6 1 1 A 22 22 LEU N N 100 119.829 119.965 -0.136 1
1 275 . 6 1 1 A 23 23 ARG H H 101 8.722 8.582 0.140 1
1 276 . 6 1 1 A 23 23 ARG HA H 101 3.946 4.031 -0.085 1
1 284 . 6 1 1 A 23 23 ARG C C 101 179.448 178.992 0.456 1
1 285 . 6 1 1 A 23 23 ARG CA C 101 60.910 59.398 1.512 1
1 286 . 6 1 1 A 23 23 ARG CB C 101 29.853 29.787 0.066 1
1 288 . 6 1 1 A 23 23 ARG N N 101 117.690 119.537 -1.847 1
1 289 . 6 1 1 A 24 24 GLN H H 102 7.804 8.095 -0.291 1
1 290 . 6 1 1 A 24 24 GLN HA H 102 4.015 4.066 -0.051 1
1 297 . 6 1 1 A 24 24 GLN C C 102 178.951 177.843 1.108 1
1 298 . 6 1 1 A 24 24 GLN CA C 102 58.785 58.933 -0.148 1
1 299 . 6 1 1 A 24 24 GLN CB C 102 28.263 28.067 0.196 1
1 301 . 6 1 1 A 24 24 GLN N N 102 117.686 118.250 -0.564 1
1 303 . 6 1 1 A 25 25 ASP H H 103 8.393 7.886 0.507 1
1 304 . 6 1 1 A 25 25 ASP HA H 103 4.414 4.476 -0.062 1
1 307 . 6 1 1 A 25 25 ASP C C 103 179.476 178.929 0.547 1
1 308 . 6 1 1 A 25 25 ASP CA C 103 57.753 57.514 0.239 1
1 309 . 6 1 1 A 25 25 ASP CB C 103 40.432 40.712 -0.280 1
1 310 . 6 1 1 A 25 25 ASP N N 103 122.118 119.936 2.182 1
1 311 . 6 1 1 A 26 26 ILE H H 104 8.737 7.521 1.216 1
1 312 . 6 1 1 A 26 26 ILE HA H 104 3.761 3.673 0.088 1
1 320 . 6 1 1 A 26 26 ILE C C 104 180.320 177.987 2.333 1
1 321 . 6 1 1 A 26 26 ILE CA C 104 65.902 64.903 0.999 1
1 322 . 6 1 1 A 26 26 ILE CB C 104 38.826 37.752 1.074 1
1 325 . 6 1 1 A 26 26 ILE N N 104 122.668 120.172 2.496 1
1 326 . 6 1 1 A 27 27 VAL H H 105 7.923 7.718 0.205 1
1 327 . 6 1 1 A 27 27 VAL HA H 105 3.077 3.882 -0.805 1
1 335 . 6 1 1 A 27 27 VAL C C 105 176.073 177.447 -1.374 1
1 336 . 6 1 1 A 27 27 VAL CA C 105 67.080 64.718 2.362 1
1 337 . 6 1 1 A 27 27 VAL CB C 105 31.450 31.547 -0.097 1
1 340 . 6 1 1 A 27 27 VAL N N 105 121.194 116.808 4.386 1
1 341 . 6 1 1 A 28 28 ALA H H 106 7.892 7.199 0.693 1
1 342 . 6 1 1 A 28 28 ALA HA H 106 4.286 4.351 -0.065 1
1 346 . 6 1 1 A 28 28 ALA C C 106 178.366 177.782 0.584 1
1 347 . 6 1 1 A 28 28 ALA CA C 106 52.572 52.031 0.541 1
1 348 . 6 1 1 A 28 28 ALA CB C 106 19.616 19.557 0.059 1
1 349 . 6 1 1 A 28 28 ALA N N 106 117.103 121.681 -4.578 1
1 350 . 6 1 1 A 29 29 GLY H H 107 7.670 8.066 -0.396 1
1 351 . 6 1 1 A 29 29 GLY HA2 H 107 4.181 3.929 0.252 1
1 352 . 6 1 1 A 29 29 GLY HA3 H 107 3.924 3.933 -0.009 1
1 353 . 6 1 1 A 29 29 GLY C C 107 174.596 175.226 -0.630 1
1 354 . 6 1 1 A 29 29 GLY CA C 107 45.157 46.595 -1.438 1
1 355 . 6 1 1 A 29 29 GLY N N 107 105.038 107.067 -2.029 1
1 356 . 6 1 1 A 30 30 ARG H H 108 7.972 8.385 -0.413 1
1 357 . 6 1 1 A 30 30 ARG HA H 108 4.185 4.315 -0.130 1
1 365 . 6 1 1 A 30 30 ARG C C 108 175.874 175.496 0.378 1
1 366 . 6 1 1 A 30 30 ARG CA C 108 57.987 56.456 1.531 1
1 367 . 6 1 1 A 30 30 ARG CB C 108 31.218 30.500 0.718 1
1 370 . 6 1 1 A 30 30 ARG N N 108 118.333 118.416 -0.083 1
1 371 . 6 1 1 A 31 31 LEU H H 109 6.696 7.526 -0.830 1
1 372 . 6 1 1 A 31 31 LEU HA H 109 4.939 4.802 0.137 1
1 382 . 6 1 1 A 31 31 LEU C C 109 173.324 173.888 -0.564 1
1 383 . 6 1 1 A 31 31 LEU CA C 109 50.930 51.714 -0.784 1
1 384 . 6 1 1 A 31 31 LEU CB C 109 43.480 45.781 -2.301 1
1 388 . 6 1 1 A 31 31 LEU N N 109 118.681 120.085 -1.404 1
1 389 . 6 1 1 A 32 32 PRO HA H 110 4.411 4.829 -0.418 1
1 396 . 6 1 1 A 32 32 PRO C C 110 176.694 176.104 0.590 1
1 397 . 6 1 1 A 32 32 PRO CA C 110 63.123 62.793 0.330 1
1 398 . 6 1 1 A 32 32 PRO CB C 110 32.022 31.775 0.247 1
1 401 . 6 1 1 A 33 33 CYS H H 111 8.273 8.505 -0.232 1
1 402 . 6 1 1 A 33 33 CYS HA H 111 4.834 5.056 -0.222 1
1 405 . 6 1 1 A 33 33 CYS C C 111 173.523 173.355 0.168 1
1 406 . 6 1 1 A 33 33 CYS CA C 111 57.890 58.040 -0.150 1
1 407 . 6 1 1 A 33 33 CYS CB C 111 32.282 32.914 -0.632 1
1 408 . 6 1 1 A 33 33 CYS N N 111 119.113 122.369 -3.256 1
1 409 . 6 1 1 A 34 34 SER H H 112 8.738 8.828 -0.090 1
1 410 . 6 1 1 A 34 34 SER HA H 112 4.527 4.830 -0.303 1
1 413 . 6 1 1 A 34 34 SER C C 112 173.709 175.755 -2.046 1
1 414 . 6 1 1 A 34 34 SER CA C 112 57.256 57.252 0.004 1
1 415 . 6 1 1 A 34 34 SER CB C 112 65.433 65.272 0.161 1
1 416 . 6 1 1 A 34 34 SER N N 112 118.212 117.985 0.227 1
1 417 . 6 1 1 A 35 35 PHE H H 113 9.027 9.263 -0.236 1
1 418 . 6 1 1 A 35 35 PHE HA H 113 4.047 4.056 -0.009 1
1 426 . 6 1 1 A 35 35 PHE C C 113 176.433 177.214 -0.781 1
1 427 . 6 1 1 A 35 35 PHE CA C 113 62.623 62.692 -0.069 1
1 428 . 6 1 1 A 35 35 PHE CB C 113 39.128 39.759 -0.631 1
1 434 . 6 1 1 A 35 35 PHE N N 113 122.209 124.268 -2.059 1
1 435 . 6 1 1 A 36 36 ALA H H 114 8.631 8.313 0.318 1
1 436 . 6 1 1 A 36 36 ALA HA H 114 3.926 4.016 -0.090 1
1 440 . 6 1 1 A 36 36 ALA C C 114 181.064 180.211 0.853 1
1 441 . 6 1 1 A 36 36 ALA CA C 114 55.300 55.313 -0.013 1
1 442 . 6 1 1 A 36 36 ALA CB C 114 18.423 18.526 -0.103 1
1 443 . 6 1 1 A 36 36 ALA N N 114 118.977 121.150 -2.173 1
1 444 . 6 1 1 A 37 37 THR H H 115 7.886 8.120 -0.234 1
1 445 . 6 1 1 A 37 37 THR HA H 115 3.859 3.911 -0.052 1
1 450 . 6 1 1 A 37 37 THR C C 115 175.630 176.243 -0.613 1
1 451 . 6 1 1 A 37 37 THR CA C 115 66.294 67.248 -0.954 1
1 452 . 6 1 1 A 37 37 THR CB C 115 68.298 68.173 0.125 1
1 454 . 6 1 1 A 37 37 THR N N 115 117.602 114.362 3.240 1
1 455 . 6 1 1 A 38 38 LEU H H 116 8.740 8.427 0.313 1
1 456 . 6 1 1 A 38 38 LEU HA H 116 3.904 3.876 0.028 1
1 466 . 6 1 1 A 38 38 LEU C C 116 180.666 179.347 1.319 1
1 467 . 6 1 1 A 38 38 LEU CA C 116 58.166 57.774 0.392 1
1 468 . 6 1 1 A 38 38 LEU CB C 116 43.034 41.411 1.623 1
1 472 . 6 1 1 A 38 38 LEU N N 116 122.945 120.784 2.161 1
1 473 . 6 1 1 A 39 39 ALA H H 117 8.151 7.929 0.222 1
1 474 . 6 1 1 A 39 39 ALA HA H 117 3.776 3.857 -0.081 1
1 478 . 6 1 1 A 39 39 ALA C C 117 178.461 179.720 -1.259 1
1 479 . 6 1 1 A 39 39 ALA CA C 117 53.839 54.827 -0.988 1
1 480 . 6 1 1 A 39 39 ALA CB C 117 17.406 18.173 -0.767 1
1 481 . 6 1 1 A 39 39 ALA N N 117 120.752 121.614 -0.862 1
1 482 . 6 1 1 A 40 40 LEU H H 118 7.801 8.071 -0.270 1
1 483 . 6 1 1 A 40 40 LEU HA H 118 3.892 4.053 -0.161 1
1 492 . 6 1 1 A 40 40 LEU C C 118 180.428 178.459 1.969 1
1 493 . 6 1 1 A 40 40 LEU CA C 118 57.978 57.847 0.131 1
1 494 . 6 1 1 A 40 40 LEU CB C 118 42.699 41.917 0.782 1
1 497 . 6 1 1 A 40 40 LEU N N 118 119.699 120.267 -0.568 1
1 498 . 6 1 1 A 41 41 LEU H H 119 9.153 8.878 0.275 1
1 499 . 6 1 1 A 41 41 LEU HA H 119 4.181 4.403 -0.222 1
1 509 . 6 1 1 A 41 41 LEU C C 119 179.132 179.150 -0.018 1
1 510 . 6 1 1 A 41 41 LEU CA C 119 58.696 58.251 0.445 1
1 511 . 6 1 1 A 41 41 LEU CB C 119 39.102 41.923 -2.821 1
1 515 . 6 1 1 A 41 41 LEU N N 119 118.687 119.116 -0.429 1
1 516 . 6 1 1 A 42 42 GLY H H 120 8.253 8.135 0.118 1
1 517 . 6 1 1 A 42 42 GLY HA2 H 120 4.016 3.683 0.333 1
1 518 . 6 1 1 A 42 42 GLY HA3 H 120 3.610 3.685 -0.075 1
1 519 . 6 1 1 A 42 42 GLY C C 120 175.046 175.951 -0.905 1
1 520 . 6 1 1 A 42 42 GLY CA C 120 48.060 47.349 0.711 1
1 521 . 6 1 1 A 42 42 GLY N N 120 106.562 106.878 -0.316 1
1 522 . 6 1 1 A 43 43 SER H H 121 8.456 8.355 0.101 1
1 523 . 6 1 1 A 43 43 SER HA H 121 3.928 4.162 -0.234 1
1 526 . 6 1 1 A 43 43 SER C C 121 175.318 176.805 -1.487 1
1 527 . 6 1 1 A 43 43 SER CA C 121 62.651 61.594 1.057 1
1 528 . 6 1 1 A 43 43 SER CB C 121 62.722 62.323 0.399 1
1 529 . 6 1 1 A 43 43 SER N N 121 117.787 117.603 0.184 1
1 530 . 6 1 1 A 44 44 TYR H H 122 7.311 7.580 -0.269 1
1 531 . 6 1 1 A 44 44 TYR HA H 122 4.635 4.253 0.382 1
1 538 . 6 1 1 A 44 44 TYR C C 122 178.731 178.267 0.464 1
1 539 . 6 1 1 A 44 44 TYR CA C 122 61.704 60.418 1.286 1
1 540 . 6 1 1 A 44 44 TYR CB C 122 38.809 37.933 0.876 1
1 545 . 6 1 1 A 44 44 TYR N N 122 123.923 119.577 4.346 1
1 546 . 6 1 1 A 45 45 THR H H 123 8.748 8.016 0.732 1
1 547 . 6 1 1 A 45 45 THR HA H 123 3.747 3.891 -0.144 1
1 552 . 6 1 1 A 45 45 THR C C 123 175.781 176.647 -0.866 1
1 553 . 6 1 1 A 45 45 THR CA C 123 67.015 67.068 -0.053 1
1 554 . 6 1 1 A 45 45 THR CB C 123 67.670 68.175 -0.505 1
1 556 . 6 1 1 A 45 45 THR N N 123 121.374 114.934 6.440 1
1 557 . 6 1 1 A 46 46 ILE H H 124 8.131 7.939 0.192 1
1 558 . 6 1 1 A 46 46 ILE HA H 124 3.161 3.361 -0.200 1
1 568 . 6 1 1 A 46 46 ILE C C 124 177.130 178.022 -0.892 1
1 569 . 6 1 1 A 46 46 ILE CA C 124 62.478 65.581 -3.103 1
1 570 . 6 1 1 A 46 46 ILE CB C 124 35.268 37.665 -2.397 1
1 574 . 6 1 1 A 46 46 ILE N N 124 119.593 121.686 -2.093 1
1 575 . 6 1 1 A 47 47 GLN H H 125 7.871 7.986 -0.115 1
1 576 . 6 1 1 A 47 47 GLN HA H 125 4.110 3.532 0.578 1
1 583 . 6 1 1 A 47 47 GLN C C 125 178.150 177.967 0.183 1
1 584 . 6 1 1 A 47 47 GLN CA C 125 58.333 58.413 -0.080 1
1 585 . 6 1 1 A 47 47 GLN CB C 125 27.448 27.803 -0.355 1
1 587 . 6 1 1 A 47 47 GLN N N 125 121.155 120.461 0.694 1
1 589 . 6 1 1 A 48 48 SER H H 126 8.194 7.941 0.253 1
1 590 . 6 1 1 A 48 48 SER HA H 126 4.055 4.308 -0.253 1
1 593 . 6 1 1 A 48 48 SER C C 126 176.209 176.300 -0.091 1
1 594 . 6 1 1 A 48 48 SER CA C 126 60.823 61.176 -0.353 1
1 595 . 6 1 1 A 48 48 SER CB C 126 63.592 63.410 0.182 1
1 596 . 6 1 1 A 48 48 SER N N 126 111.964 116.788 -4.824 1
1 597 . 6 1 1 A 49 49 GLU H H 127 8.009 8.205 -0.196 1
1 598 . 6 1 1 A 49 49 GLU HA H 127 4.296 4.307 -0.011 1
1 603 . 6 1 1 A 49 49 GLU C C 127 178.319 178.063 0.256 1
1 604 . 6 1 1 A 49 49 GLU CA C 127 58.376 58.690 -0.314 1
1 605 . 6 1 1 A 49 49 GLU CB C 127 30.928 30.283 0.645 1
1 607 . 6 1 1 A 49 49 GLU N N 127 116.052 121.055 -5.003 1
1 608 . 6 1 1 A 50 50 LEU H H 128 8.916 8.632 0.284 1
1 609 . 6 1 1 A 50 50 LEU HA H 128 4.549 4.631 -0.082 1
1 619 . 6 1 1 A 50 50 LEU C C 128 178.447 177.457 0.990 1
1 620 . 6 1 1 A 50 50 LEU CA C 128 55.159 54.589 0.570 1
1 621 . 6 1 1 A 50 50 LEU CB C 128 43.500 42.898 0.602 1
1 625 . 6 1 1 A 50 50 LEU N N 128 117.044 116.627 0.417 1
1 626 . 6 1 1 A 51 51 GLY H H 129 7.710 8.131 -0.421 1
1 627 . 6 1 1 A 51 51 GLY HA2 H 129 4.261 4.076 0.185 1
1 628 . 6 1 1 A 51 51 GLY HA3 H 129 3.994 4.091 -0.097 1
1 629 . 6 1 1 A 51 51 GLY C C 129 172.406 173.749 -1.343 1
1 630 . 6 1 1 A 51 51 GLY CA C 129 44.162 45.533 -1.371 1
1 631 . 6 1 1 A 51 51 GLY N N 129 109.110 107.636 1.474 1
1 632 . 6 1 1 A 52 52 ASP H H 130 8.131 8.429 -0.298 1
1 633 . 6 1 1 A 52 52 ASP HA H 130 4.577 4.772 -0.195 1
1 636 . 6 1 1 A 52 52 ASP C C 130 176.862 175.576 1.286 1
1 637 . 6 1 1 A 52 52 ASP CA C 130 54.581 55.195 -0.614 1
1 638 . 6 1 1 A 52 52 ASP CB C 130 41.028 41.843 -0.815 1
1 639 . 6 1 1 A 52 52 ASP N N 130 118.844 123.250 -4.406 1
1 640 . 6 1 1 A 53 53 TYR H H 131 8.732 8.804 -0.072 1
1 641 . 6 1 1 A 53 53 TYR HA H 131 4.410 4.244 0.166 1
1 648 . 6 1 1 A 53 53 TYR C C 131 174.929 174.409 0.520 1
1 649 . 6 1 1 A 53 53 TYR CA C 131 58.452 59.493 -1.041 1
1 650 . 6 1 1 A 53 53 TYR CB C 131 37.536 39.097 -1.561 1
1 655 . 6 1 1 A 53 53 TYR N N 131 121.518 125.636 -4.118 1
1 656 . 6 1 1 A 54 54 ASP H H 132 9.981 8.001 1.980 1
1 657 . 6 1 1 A 54 54 ASP HA H 132 4.652 5.023 -0.371 1
1 660 . 6 1 1 A 54 54 ASP CA C 132 49.843 50.842 -0.999 1
1 661 . 6 1 1 A 54 54 ASP CB C 132 42.737 41.790 0.947 1
1 662 . 6 1 1 A 54 54 ASP N N 132 132.995 127.353 5.642 1
1 663 . 6 1 1 A 55 55 PRO HA H 133 4.117 4.308 -0.191 1
1 670 . 6 1 1 A 55 55 PRO C C 133 178.353 177.821 0.532 1
1 671 . 6 1 1 A 55 55 PRO CA C 133 64.216 64.216 0.000 1
1 672 . 6 1 1 A 55 55 PRO CB C 133 32.133 31.882 0.251 1
1 675 . 6 1 1 A 56 56 GLU H H 134 7.968 8.878 -0.910 1
1 676 . 6 1 1 A 56 56 GLU HA H 134 4.047 4.034 0.013 1
1 681 . 6 1 1 A 56 56 GLU C C 134 177.001 178.750 -1.749 1
1 682 . 6 1 1 A 56 56 GLU CA C 134 57.984 58.722 -0.738 1
1 683 . 6 1 1 A 56 56 GLU CB C 134 29.667 28.361 1.306 1
1 685 . 6 1 1 A 56 56 GLU N N 134 116.491 116.103 0.388 1
1 686 . 6 1 1 A 57 57 LEU H H 135 7.137 7.120 0.017 1
1 687 . 6 1 1 A 57 57 LEU HA H 135 4.186 4.078 0.108 1
1 697 . 6 1 1 A 57 57 LEU C C 135 177.695 176.455 1.240 1
1 698 . 6 1 1 A 57 57 LEU CA C 135 55.372 56.194 -0.822 1
1 699 . 6 1 1 A 57 57 LEU CB C 135 43.889 43.622 0.267 1
1 703 . 6 1 1 A 57 57 LEU N N 135 118.254 118.382 -0.128 1
1 704 . 6 1 1 A 58 58 HIS H H 136 8.121 7.435 0.686 1
1 705 . 6 1 1 A 58 58 HIS HA H 136 4.560 5.094 -0.534 1
1 709 . 6 1 1 A 58 58 HIS C C 136 176.135 174.813 1.322 1
1 710 . 6 1 1 A 58 58 HIS CA C 136 56.134 53.745 2.389 1
1 711 . 6 1 1 A 58 58 HIS CB C 136 31.534 32.589 -1.055 1
1 713 . 6 1 1 A 58 58 HIS N N 136 120.254 115.323 4.931 1
1 714 . 6 1 1 A 59 59 GLY H H 137 7.890 8.658 -0.768 1
1 715 . 6 1 1 A 59 59 GLY HA2 H 137 4.166 4.095 0.071 1
1 716 . 6 1 1 A 59 59 GLY HA3 H 137 3.990 4.099 -0.109 1
1 717 . 6 1 1 A 59 59 GLY C C 137 175.021 174.199 0.822 1
1 718 . 6 1 1 A 59 59 GLY CA C 137 45.431 45.868 -0.437 1
1 719 . 6 1 1 A 59 59 GLY N N 137 108.183 109.786 -1.603 1
1 720 . 6 1 1 A 60 60 VAL H H 138 8.519 8.411 0.108 1
1 721 . 6 1 1 A 60 60 VAL HA H 138 4.503 4.766 -0.263 1
1 729 . 6 1 1 A 60 60 VAL C C 138 176.419 174.630 1.789 1
1 730 . 6 1 1 A 60 60 VAL CA C 138 62.905 59.695 3.210 1
1 731 . 6 1 1 A 60 60 VAL CB C 138 32.421 35.304 -2.883 1
1 734 . 6 1 1 A 60 60 VAL N N 138 116.738 116.956 -0.218 1
1 735 . 6 1 1 A 61 61 ASP H H 139 8.525 8.388 0.137 1
1 736 . 6 1 1 A 61 61 ASP HA H 139 4.959 4.281 0.678 1
1 739 . 6 1 1 A 61 61 ASP C C 139 177.816 176.298 1.518 1
1 740 . 6 1 1 A 61 61 ASP CA C 139 54.278 55.388 -1.110 1
1 741 . 6 1 1 A 61 61 ASP CB C 139 40.771 40.631 0.140 1
1 742 . 6 1 1 A 61 61 ASP N N 139 120.408 119.958 0.450 1
1 743 . 6 1 1 A 62 62 TYR H H 140 7.553 8.001 -0.448 1
1 744 . 6 1 1 A 62 62 TYR HA H 140 4.611 4.498 0.113 1
1 751 . 6 1 1 A 62 62 TYR C C 140 176.791 176.351 0.440 1
1 752 . 6 1 1 A 62 62 TYR CA C 140 59.811 59.084 0.727 1
1 753 . 6 1 1 A 62 62 TYR CB C 140 37.453 36.864 0.589 1
1 758 . 6 1 1 A 62 62 TYR N N 140 118.187 117.840 0.347 1
1 759 . 6 1 1 A 63 63 VAL H H 141 7.645 7.416 0.229 1
1 760 . 6 1 1 A 63 63 VAL HA H 141 3.861 4.192 -0.331 1
1 768 . 6 1 1 A 63 63 VAL C C 141 176.409 177.293 -0.884 1
1 769 . 6 1 1 A 63 63 VAL CA C 141 63.504 64.054 -0.550 1
1 770 . 6 1 1 A 63 63 VAL CB C 141 31.598 31.195 0.403 1
1 773 . 6 1 1 A 63 63 VAL N N 141 118.945 121.270 -2.325 1
1 774 . 6 1 1 A 64 64 SER H H 142 7.611 8.102 -0.491 1
1 775 . 6 1 1 A 64 64 SER HA H 142 4.234 4.231 0.003 1
1 778 . 6 1 1 A 64 64 SER C C 142 175.035 175.672 -0.637 1
1 779 . 6 1 1 A 64 64 SER CA C 142 60.628 61.014 -0.386 1
1 780 . 6 1 1 A 64 64 SER CB C 142 63.183 62.816 0.367 1
1 781 . 6 1 1 A 64 64 SER N N 142 113.661 118.158 -4.497 1
1 782 . 6 1 1 A 65 65 ASP H H 143 7.440 8.215 -0.775 1
1 783 . 6 1 1 A 65 65 ASP HA H 143 4.568 4.666 -0.098 1
1 786 . 6 1 1 A 65 65 ASP C C 143 175.376 176.245 -0.869 1
1 787 . 6 1 1 A 65 65 ASP CA C 143 55.077 55.720 -0.643 1
1 788 . 6 1 1 A 65 65 ASP CB C 143 40.913 41.695 -0.782 1
1 789 . 6 1 1 A 65 65 ASP N N 143 118.332 120.425 -2.093 1
1 790 . 6 1 1 A 66 66 PHE H H 144 8.115 7.896 0.219 1
1 791 . 6 1 1 A 66 66 PHE HA H 144 4.369 4.810 -0.441 1
1 798 . 6 1 1 A 66 66 PHE C C 144 174.524 175.024 -0.500 1
1 799 . 6 1 1 A 66 66 PHE CA C 144 57.705 57.685 0.020 1
1 800 . 6 1 1 A 66 66 PHE CB C 144 41.033 40.434 0.599 1
1 805 . 6 1 1 A 66 66 PHE N N 144 120.277 117.507 2.770 1
1 806 . 6 1 1 A 67 67 LYS H H 145 8.688 8.524 0.164 1
1 807 . 6 1 1 A 67 67 LYS HA H 145 4.671 4.452 0.219 1
1 816 . 6 1 1 A 67 67 LYS C C 145 175.437 176.256 -0.819 1
1 817 . 6 1 1 A 67 67 LYS CA C 145 55.418 55.828 -0.410 1
1 818 . 6 1 1 A 67 67 LYS CB C 145 31.784 31.563 0.221 1
1 822 . 6 1 1 A 67 67 LYS N N 145 122.931 122.945 -0.014 1
1 823 . 6 1 1 A 68 68 LEU H H 146 9.642 8.566 1.076 1
1 824 . 6 1 1 A 68 68 LEU HA H 146 4.484 4.337 0.147 1
1 834 . 6 1 1 A 68 68 LEU C C 146 175.512 176.436 -0.924 1
1 835 . 6 1 1 A 68 68 LEU CA C 146 54.375 56.028 -1.653 1
1 836 . 6 1 1 A 68 68 LEU CB C 146 44.114 42.726 1.388 1
1 840 . 6 1 1 A 68 68 LEU N N 146 123.156 125.414 -2.258 1
1 841 . 6 1 1 A 69 69 ALA H H 147 7.586 7.547 0.039 1
1 842 . 6 1 1 A 69 69 ALA HA H 147 4.597 4.507 0.090 1
1 846 . 6 1 1 A 69 69 ALA C C 147 173.720 176.842 -3.122 1
1 847 . 6 1 1 A 69 69 ALA CA C 147 49.637 50.625 -0.988 1
1 848 . 6 1 1 A 69 69 ALA CB C 147 22.691 21.323 1.368 1
1 849 . 6 1 1 A 69 69 ALA N N 147 117.486 116.966 0.520 1
1 850 . 6 1 1 A 70 70 PRO HA H 148 4.578 4.393 0.185 1
1 857 . 6 1 1 A 70 70 PRO C C 148 176.996 176.894 0.102 1
1 858 . 6 1 1 A 70 70 PRO CA C 148 64.435 65.254 -0.819 1
1 859 . 6 1 1 A 70 70 PRO CB C 148 31.448 31.984 -0.536 1
1 862 . 6 1 1 A 71 71 ASN H H 149 8.221 8.306 -0.085 1
1 863 . 6 1 1 A 71 71 ASN HA H 149 4.783 4.872 -0.089 1
1 868 . 6 1 1 A 71 71 ASN C C 149 173.865 174.095 -0.230 1
1 869 . 6 1 1 A 71 71 ASN CA C 149 52.308 52.170 0.138 1
1 870 . 6 1 1 A 71 71 ASN CB C 149 38.065 37.260 0.805 1
1 871 . 6 1 1 A 71 71 ASN N N 149 116.940 115.137 1.803 1
1 873 . 6 1 1 A 72 72 GLN H H 150 8.467 8.909 -0.442 1
1 874 . 6 1 1 A 72 72 GLN HA H 150 3.962 4.646 -0.684 1
1 881 . 6 1 1 A 72 72 GLN C C 150 174.832 174.638 0.194 1
1 882 . 6 1 1 A 72 72 GLN CA C 150 57.793 55.851 1.942 1
1 883 . 6 1 1 A 72 72 GLN CB C 150 29.029 29.395 -0.366 1
1 885 . 6 1 1 A 72 72 GLN N N 150 123.793 123.902 -0.109 1
1 887 . 6 1 1 A 73 73 THR H H 151 7.040 8.397 -1.357 1
1 888 . 6 1 1 A 73 73 THR HA H 151 4.668 4.831 -0.163 1
1 893 . 6 1 1 A 73 73 THR C C 151 175.175 176.050 -0.875 1
1 894 . 6 1 1 A 73 73 THR CA C 151 59.504 59.638 -0.134 1
1 895 . 6 1 1 A 73 73 THR CB C 151 72.544 71.243 1.301 1
1 897 . 6 1 1 A 73 73 THR N N 151 115.239 121.381 -6.142 1
1 898 . 6 1 1 A 74 74 LYS H H 152 8.949 8.891 0.058 1
1 899 . 6 1 1 A 74 74 LYS HA H 152 4.109 3.980 0.129 1
1 908 . 6 1 1 A 74 74 LYS C C 152 178.758 178.197 0.561 1
1 909 . 6 1 1 A 74 74 LYS CA C 152 58.521 59.138 -0.617 1
1 910 . 6 1 1 A 74 74 LYS CB C 152 31.372 32.068 -0.696 1
1 914 . 6 1 1 A 74 74 LYS N N 152 122.065 124.357 -2.292 1
1 915 . 6 1 1 A 75 75 GLU H H 153 8.762 8.493 0.269 1
1 916 . 6 1 1 A 75 75 GLU HA H 153 4.098 4.100 -0.002 1
1 921 . 6 1 1 A 75 75 GLU C C 153 179.947 179.466 0.481 1
1 922 . 6 1 1 A 75 75 GLU CA C 153 60.405 59.157 1.248 1
1 923 . 6 1 1 A 75 75 GLU CB C 153 28.999 29.424 -0.425 1
1 925 . 6 1 1 A 75 75 GLU N N 153 118.335 119.795 -1.460 1
1 926 . 6 1 1 A 76 76 LEU H H 154 7.726 8.359 -0.633 1
1 927 . 6 1 1 A 76 76 LEU HA H 154 4.061 3.862 0.199 1
1 937 . 6 1 1 A 76 76 LEU C C 154 178.292 178.629 -0.337 1
1 938 . 6 1 1 A 76 76 LEU CA C 154 58.188 57.847 0.341 1
1 939 . 6 1 1 A 76 76 LEU CB C 154 41.061 42.085 -1.024 1
1 943 . 6 1 1 A 76 76 LEU N N 154 121.434 121.688 -0.254 1
1 944 . 6 1 1 A 77 77 GLU H H 155 8.044 8.522 -0.478 1
1 945 . 6 1 1 A 77 77 GLU HA H 155 3.394 3.874 -0.480 1
1 950 . 6 1 1 A 77 77 GLU C C 155 178.363 179.400 -1.037 1
1 951 . 6 1 1 A 77 77 GLU CA C 155 60.409 59.885 0.524 1
1 952 . 6 1 1 A 77 77 GLU CB C 155 28.697 29.082 -0.385 1
1 954 . 6 1 1 A 77 77 GLU N N 155 118.172 119.258 -1.086 1
1 955 . 6 1 1 A 78 78 GLU H H 156 8.657 8.669 -0.012 1
1 956 . 6 1 1 A 78 78 GLU HA H 156 3.945 3.943 0.002 1
1 961 . 6 1 1 A 78 78 GLU C C 156 179.197 179.190 0.007 1
1 962 . 6 1 1 A 78 78 GLU CA C 156 59.869 59.303 0.566 1
1 963 . 6 1 1 A 78 78 GLU CB C 156 29.466 29.204 0.262 1
1 965 . 6 1 1 A 78 78 GLU N N 156 117.944 120.239 -2.295 1
1 966 . 6 1 1 A 79 79 LYS H H 157 7.564 7.722 -0.158 1
1 967 . 6 1 1 A 79 79 LYS HA H 157 4.245 4.087 0.158 1
1 976 . 6 1 1 A 79 79 LYS C C 157 178.328 178.797 -0.469 1
1 977 . 6 1 1 A 79 79 LYS CA C 157 57.557 58.832 -1.275 1
1 978 . 6 1 1 A 79 79 LYS CB C 157 30.969 32.364 -1.395 1
1 982 . 6 1 1 A 79 79 LYS N N 157 121.118 121.323 -0.205 1
1 983 . 6 1 1 A 80 80 VAL H H 158 8.412 7.770 0.642 1
1 984 . 6 1 1 A 80 80 VAL HA H 158 3.314 3.467 -0.153 1
1 992 . 6 1 1 A 80 80 VAL C C 158 177.623 177.932 -0.309 1
1 993 . 6 1 1 A 80 80 VAL CA C 158 67.250 66.304 0.946 1
1 994 . 6 1 1 A 80 80 VAL CB C 158 30.867 31.624 -0.757 1
1 997 . 6 1 1 A 80 80 VAL N N 158 119.270 119.769 -0.499 1
1 998 . 6 1 1 A 81 81 MET H H 159 8.212 7.969 0.243 1
1 999 . 6 1 1 A 81 81 MET HA H 159 4.039 4.067 -0.028 1
1 1007 . 6 1 1 A 81 81 MET C C 159 177.305 178.517 -1.212 1
1 1008 . 6 1 1 A 81 81 MET CA C 159 59.998 59.092 0.906 1
1 1009 . 6 1 1 A 81 81 MET CB C 159 33.605 32.848 0.757 1
1 1012 . 6 1 1 A 81 81 MET N N 159 117.924 117.589 0.335 1
1 1013 . 6 1 1 A 82 82 GLU H H 160 7.780 8.531 -0.751 1
1 1014 . 6 1 1 A 82 82 GLU HA H 160 3.768 3.970 -0.202 1
1 1019 . 6 1 1 A 82 82 GLU C C 160 179.468 179.037 0.431 1
1 1020 . 6 1 1 A 82 82 GLU CA C 160 59.555 58.991 0.564 1
1 1021 . 6 1 1 A 82 82 GLU CB C 160 29.831 29.431 0.400 1
1 1023 . 6 1 1 A 82 82 GLU N N 160 119.282 120.289 -1.007 1
1 1024 . 6 1 1 A 83 83 LEU H H 161 7.748 8.384 -0.636 1
1 1025 . 6 1 1 A 83 83 LEU HA H 161 3.756 3.675 0.081 1
1 1035 . 6 1 1 A 83 83 LEU C C 161 179.113 178.901 0.212 1
1 1036 . 6 1 1 A 83 83 LEU CA C 161 57.246 57.600 -0.354 1
1 1037 . 6 1 1 A 83 83 LEU CB C 161 41.824 41.578 0.246 1
1 1041 . 6 1 1 A 83 83 LEU N N 161 118.542 120.328 -1.786 1
1 1042 . 6 1 1 A 84 84 HIS H H 162 8.842 8.121 0.721 1
1 1043 . 6 1 1 A 84 84 HIS HA H 162 3.986 4.256 -0.270 1
1 1047 . 6 1 1 A 84 84 HIS C C 162 178.286 176.876 1.410 1
1 1048 . 6 1 1 A 84 84 HIS CA C 162 58.407 60.478 -2.071 1
1 1049 . 6 1 1 A 84 84 HIS CB C 162 32.405 30.086 2.319 1
1 1051 . 6 1 1 A 84 84 HIS N N 162 120.325 118.129 2.196 1
1 1052 . 6 1 1 A 85 85 LYS H H 163 7.951 7.509 0.442 1
1 1053 . 6 1 1 A 85 85 LYS HA H 163 3.383 3.960 -0.577 1
1 1062 . 6 1 1 A 85 85 LYS C C 163 177.303 178.533 -1.230 1
1 1063 . 6 1 1 A 85 85 LYS CA C 163 59.730 59.044 0.686 1
1 1064 . 6 1 1 A 85 85 LYS CB C 163 32.489 31.618 0.871 1
1 1068 . 6 1 1 A 85 85 LYS N N 163 116.598 119.895 -3.297 1
1 1069 . 6 1 1 A 86 86 SER H H 164 7.334 7.975 -0.641 1
1 1070 . 6 1 1 A 86 86 SER HA H 164 4.442 4.231 0.211 1
1 1073 . 6 1 1 A 86 86 SER C C 164 175.296 174.374 0.922 1
1 1074 . 6 1 1 A 86 86 SER CA C 164 59.708 60.693 -0.985 1
1 1075 . 6 1 1 A 86 86 SER CB C 164 64.669 62.895 1.774 1
1 1076 . 6 1 1 A 86 86 SER N N 164 113.922 114.233 -0.311 1
1 1077 . 6 1 1 A 87 87 TYR H H 165 7.321 7.552 -0.231 1
1 1078 . 6 1 1 A 87 87 TYR HA H 165 5.037 4.616 0.421 1
1 1085 . 6 1 1 A 87 87 TYR C C 165 175.143 175.712 -0.569 1
1 1086 . 6 1 1 A 87 87 TYR CA C 165 54.570 58.782 -4.212 1
1 1087 . 6 1 1 A 87 87 TYR CB C 165 36.575 38.941 -2.366 1
1 1092 . 6 1 1 A 87 87 TYR N N 165 123.163 120.253 2.910 1
1 1093 . 6 1 1 A 88 88 ARG H H 166 7.263 8.585 -1.322 1
1 1094 . 6 1 1 A 88 88 ARG HA H 166 4.264 4.453 -0.189 1
1 1102 . 6 1 1 A 88 88 ARG C C 166 177.455 176.038 1.417 1
1 1103 . 6 1 1 A 88 88 ARG CA C 166 58.086 55.053 3.033 1
1 1104 . 6 1 1 A 88 88 ARG CB C 166 30.702 31.023 -0.321 1
1 1107 . 6 1 1 A 88 88 ARG N N 166 119.334 124.085 -4.751 1
1 1108 . 6 1 1 A 89 89 SER H H 167 10.206 8.506 1.700 1
1 1109 . 6 1 1 A 89 89 SER HA H 167 4.265 4.601 -0.336 1
1 1112 . 6 1 1 A 89 89 SER C C 167 174.371 173.478 0.893 1
1 1113 . 6 1 1 A 89 89 SER CA C 167 60.818 57.470 3.348 1
1 1114 . 6 1 1 A 89 89 SER CB C 167 62.576 61.516 1.060 1
1 1115 . 6 1 1 A 89 89 SER N N 167 121.486 115.186 6.300 1
1 1116 . 6 1 1 A 90 90 MET H H 168 8.409 9.351 -0.942 1
1 1117 . 6 1 1 A 90 90 MET HA H 168 4.531 4.667 -0.136 1
1 1125 . 6 1 1 A 90 90 MET C C 168 177.396 175.778 1.618 1
1 1126 . 6 1 1 A 90 90 MET CA C 168 56.283 55.339 0.944 1
1 1127 . 6 1 1 A 90 90 MET CB C 168 35.048 33.852 1.196 1
1 1130 . 6 1 1 A 90 90 MET N N 168 124.849 127.415 -2.566 1
1 1131 . 6 1 1 A 91 91 THR H H 169 8.981 9.138 -0.157 1
1 1132 . 6 1 1 A 91 91 THR HA H 169 4.589 5.001 -0.412 1
1 1137 . 6 1 1 A 91 91 THR C C 169 173.532 174.633 -1.101 1
1 1138 . 6 1 1 A 91 91 THR CA C 169 61.052 59.248 1.804 1
1 1139 . 6 1 1 A 91 91 THR CB C 169 68.249 69.636 -1.387 1
1 1141 . 6 1 1 A 91 91 THR N N 169 122.910 113.937 8.973 1
1 1142 . 6 1 1 A 92 92 PRO HA H 170 4.151 4.222 -0.071 1
1 1147 . 6 1 1 A 92 92 PRO C C 170 177.481 178.257 -0.776 1
1 1148 . 6 1 1 A 92 92 PRO CA C 170 66.599 65.927 0.672 1
1 1149 . 6 1 1 A 92 92 PRO CB C 170 31.740 31.425 0.315 1
1 1151 . 6 1 1 A 93 93 ALA H H 171 7.833 8.390 -0.557 1
1 1152 . 6 1 1 A 93 93 ALA HA H 171 4.135 3.972 0.163 1
1 1156 . 6 1 1 A 93 93 ALA C C 171 180.982 180.606 0.376 1
1 1157 . 6 1 1 A 93 93 ALA CA C 171 54.982 55.422 -0.440 1
1 1158 . 6 1 1 A 93 93 ALA CB C 171 18.373 18.555 -0.182 1
1 1159 . 6 1 1 A 93 93 ALA N N 171 115.945 118.167 -2.222 1
1 1160 . 6 1 1 A 94 94 GLN H H 172 7.868 8.174 -0.306 1
1 1161 . 6 1 1 A 94 94 GLN HA H 172 3.911 4.002 -0.091 1
1 1168 . 6 1 1 A 94 94 GLN C C 172 178.279 178.415 -0.136 1
1 1169 . 6 1 1 A 94 94 GLN CA C 172 58.547 58.794 -0.247 1
1 1170 . 6 1 1 A 94 94 GLN CB C 172 28.318 28.323 -0.005 1
1 1172 . 6 1 1 A 94 94 GLN N N 172 118.910 117.800 1.110 1
1 1174 . 6 1 1 A 95 95 ALA H H 173 8.459 7.667 0.792 1
1 1175 . 6 1 1 A 95 95 ALA HA H 173 4.066 4.216 -0.150 1
1 1179 . 6 1 1 A 95 95 ALA C C 173 179.362 179.501 -0.139 1
1 1180 . 6 1 1 A 95 95 ALA CA C 173 55.413 55.050 0.363 1
1 1181 . 6 1 1 A 95 95 ALA CB C 173 17.730 18.442 -0.712 1
1 1182 . 6 1 1 A 95 95 ALA N N 173 123.672 122.317 1.355 1
1 1183 . 6 1 1 A 96 96 ASP H H 174 8.541 8.360 0.181 1
1 1184 . 6 1 1 A 96 96 ASP HA H 174 4.317 4.374 -0.057 1
1 1187 . 6 1 1 A 96 96 ASP C C 174 178.340 178.645 -0.305 1
1 1188 . 6 1 1 A 96 96 ASP CA C 174 57.230 57.328 -0.098 1
1 1189 . 6 1 1 A 96 96 ASP CB C 174 40.024 40.138 -0.114 1
1 1190 . 6 1 1 A 96 96 ASP N N 174 119.397 119.784 -0.387 1
1 1191 . 6 1 1 A 97 97 LEU H H 175 7.798 8.162 -0.364 1
1 1192 . 6 1 1 A 97 97 LEU HA H 175 3.968 4.129 -0.161 1
1 1202 . 6 1 1 A 97 97 LEU C C 175 179.822 178.483 1.339 1
1 1203 . 6 1 1 A 97 97 LEU CA C 175 58.737 57.321 1.416 1
1 1204 . 6 1 1 A 97 97 LEU CB C 175 41.661 41.968 -0.307 1
1 1208 . 6 1 1 A 97 97 LEU N N 175 120.724 120.014 0.710 1
1 1209 . 6 1 1 A 98 98 GLU H H 176 8.172 8.300 -0.128 1
1 1210 . 6 1 1 A 98 98 GLU HA H 176 3.885 3.750 0.135 1
1 1215 . 6 1 1 A 98 98 GLU C C 176 180.447 179.006 1.441 1
1 1216 . 6 1 1 A 98 98 GLU CA C 176 58.870 59.493 -0.623 1
1 1217 . 6 1 1 A 98 98 GLU CB C 176 27.413 28.665 -1.252 1
1 1219 . 6 1 1 A 98 98 GLU N N 176 119.724 119.080 0.644 1
1 1220 . 6 1 1 A 99 99 PHE H H 177 8.542 7.668 0.874 1
1 1221 . 6 1 1 A 99 99 PHE HA H 177 3.819 4.130 -0.311 1
1 1229 . 6 1 1 A 99 99 PHE C C 177 176.805 177.068 -0.263 1
1 1230 . 6 1 1 A 99 99 PHE CA C 177 62.277 61.255 1.022 1
1 1231 . 6 1 1 A 99 99 PHE CB C 177 38.948 39.233 -0.285 1
1 1237 . 6 1 1 A 99 99 PHE N N 177 123.837 121.280 2.557 1
1 1238 . 6 1 1 A 100 100 LEU H H 178 8.532 8.308 0.224 1
1 1239 . 6 1 1 A 100 100 LEU HA H 178 4.028 3.671 0.357 1
1 1249 . 6 1 1 A 100 100 LEU C C 178 179.884 179.444 0.440 1
1 1250 . 6 1 1 A 100 100 LEU CA C 178 58.046 57.890 0.156 1
1 1251 . 6 1 1 A 100 100 LEU CB C 178 41.419 41.376 0.043 1
1 1255 . 6 1 1 A 100 100 LEU N N 178 119.496 118.932 0.564 1
1 1256 . 6 1 1 A 101 101 GLU H H 179 8.769 8.444 0.325 1
1 1257 . 6 1 1 A 101 101 GLU HA H 179 4.043 3.951 0.092 1
1 1262 . 6 1 1 A 101 101 GLU C C 179 179.881 178.882 0.999 1
1 1263 . 6 1 1 A 101 101 GLU CA C 179 59.465 59.228 0.237 1
1 1264 . 6 1 1 A 101 101 GLU CB C 179 29.478 29.212 0.266 1
1 1266 . 6 1 1 A 101 101 GLU N N 179 120.825 120.898 -0.073 1
1 1267 . 6 1 1 A 102 102 ASN H H 180 7.865 7.715 0.150 1
1 1268 . 6 1 1 A 102 102 ASN HA H 180 4.329 4.422 -0.093 1
1 1273 . 6 1 1 A 102 102 ASN C C 180 176.692 177.478 -0.786 1
1 1274 . 6 1 1 A 102 102 ASN CA C 180 57.537 55.824 1.713 1
1 1275 . 6 1 1 A 102 102 ASN CB C 180 40.085 38.504 1.581 1
1 1276 . 6 1 1 A 102 102 ASN N N 180 116.591 117.477 -0.886 1
1 1278 . 6 1 1 A 103 103 ALA H H 181 8.744 8.235 0.509 1
1 1279 . 6 1 1 A 103 103 ALA HA H 181 4.130 3.954 0.176 1
1 1283 . 6 1 1 A 103 103 ALA C C 181 179.546 179.283 0.263 1
1 1284 . 6 1 1 A 103 103 ALA CA C 181 55.148 54.914 0.234 1
1 1285 . 6 1 1 A 103 103 ALA CB C 181 18.154 18.264 -0.110 1
1 1286 . 6 1 1 A 103 103 ALA N N 181 122.431 122.335 0.096 1
1 1287 . 6 1 1 A 104 104 LYS H H 182 8.493 7.925 0.568 1
1 1288 . 6 1 1 A 104 104 LYS HA H 182 3.786 3.795 -0.009 1
1 1297 . 6 1 1 A 104 104 LYS C C 182 180.012 178.868 1.144 1
1 1298 . 6 1 1 A 104 104 LYS CA C 182 58.547 59.430 -0.883 1
1 1299 . 6 1 1 A 104 104 LYS CB C 182 31.194 32.050 -0.856 1
1 1303 . 6 1 1 A 104 104 LYS N N 182 119.195 118.047 1.148 1
1 1304 . 6 1 1 A 105 105 LYS H H 183 7.661 7.602 0.059 1
1 1305 . 6 1 1 A 105 105 LYS HA H 183 4.111 4.074 0.037 1
1 1314 . 6 1 1 A 105 105 LYS C C 183 178.010 177.549 0.461 1
1 1315 . 6 1 1 A 105 105 LYS CA C 183 58.823 58.169 0.654 1
1 1316 . 6 1 1 A 105 105 LYS CB C 183 32.287 32.321 -0.034 1
1 1320 . 6 1 1 A 105 105 LYS N N 183 120.301 118.845 1.456 1
1 1321 . 6 1 1 A 106 106 LEU H H 184 7.403 7.350 0.053 1
1 1322 . 6 1 1 A 106 106 LEU HA H 184 4.385 4.403 -0.018 1
1 1331 . 6 1 1 A 106 106 LEU C C 184 176.332 176.326 0.006 1
1 1332 . 6 1 1 A 106 106 LEU CA C 184 54.857 54.596 0.261 1
1 1333 . 6 1 1 A 106 106 LEU CB C 184 42.054 42.911 -0.857 1
1 1336 . 6 1 1 A 106 106 LEU N N 184 118.606 118.799 -0.193 1
1 1337 . 6 1 1 A 107 107 SER H H 185 8.123 7.857 0.266 1
1 1338 . 6 1 1 A 107 107 SER HA H 185 4.202 4.018 0.184 1
1 1341 . 6 1 1 A 107 107 SER C C 185 174.826 174.563 0.263 1
1 1342 . 6 1 1 A 107 107 SER CA C 185 58.894 58.956 -0.062 1
1 1343 . 6 1 1 A 107 107 SER CB C 185 61.684 61.348 0.336 1
1 1344 . 6 1 1 A 107 107 SER N N 185 113.023 113.999 -0.976 1
1 1345 . 6 1 1 A 108 108 MET H H 186 8.212 7.701 0.511 1
1 1346 . 6 1 1 A 108 108 MET HA H 186 4.188 4.707 -0.519 1
1 1354 . 6 1 1 A 108 108 MET C C 186 174.495 176.177 -1.682 1
1 1355 . 6 1 1 A 108 108 MET CA C 186 57.328 56.691 0.637 1
1 1356 . 6 1 1 A 108 108 MET CB C 186 33.414 34.862 -1.448 1
1 1359 . 6 1 1 A 108 108 MET N N 186 117.267 119.776 -2.509 1
1 4 . 7 1 1 A 2 2 SER HA H 80 4.477 4.319 0.158 1
1 7 . 7 1 1 A 2 2 SER CA C 80 58.344 60.678 -2.334 1
1 8 . 7 1 1 A 2 2 SER CB C 80 64.002 61.761 2.241 1
1 9 . 7 1 1 A 3 3 HIS HA H 81 4.614 4.167 0.447 1
1 13 . 7 1 1 A 3 3 HIS C C 81 174.681 174.396 0.285 1
1 14 . 7 1 1 A 3 3 HIS CA C 81 56.231 59.797 -3.566 1
1 15 . 7 1 1 A 3 3 HIS CB C 81 29.839 28.084 1.755 1
1 17 . 7 1 1 A 4 4 MET H H 82 8.285 8.742 -0.457 1
1 18 . 7 1 1 A 4 4 MET HA H 82 4.416 4.837 -0.421 1
1 26 . 7 1 1 A 4 4 MET C C 82 175.286 174.603 0.683 1
1 27 . 7 1 1 A 4 4 MET CA C 82 55.165 53.864 1.301 1
1 28 . 7 1 1 A 4 4 MET CB C 82 32.988 33.971 -0.983 1
1 31 . 7 1 1 A 4 4 MET N N 82 121.559 118.009 3.550 1
1 32 . 7 1 1 A 5 5 ASP H H 83 8.362 8.297 0.065 1
1 33 . 7 1 1 A 5 5 ASP HA H 83 4.844 5.233 -0.389 1
1 36 . 7 1 1 A 5 5 ASP C C 83 175.239 175.629 -0.390 1
1 37 . 7 1 1 A 5 5 ASP CA C 83 52.238 50.271 1.967 1
1 38 . 7 1 1 A 5 5 ASP CB C 83 41.471 42.588 -1.117 1
1 39 . 7 1 1 A 5 5 ASP N N 83 124.060 123.198 0.862 1
1 40 . 7 1 1 A 6 6 PRO HA H 84 4.327 4.478 -0.151 1
1 47 . 7 1 1 A 6 6 PRO C C 84 177.388 177.170 0.218 1
1 48 . 7 1 1 A 6 6 PRO CA C 84 64.084 63.950 0.134 1
1 49 . 7 1 1 A 6 6 PRO CB C 84 32.022 31.867 0.155 1
1 52 . 7 1 1 A 7 7 ALA H H 85 8.406 8.264 0.142 1
1 53 . 7 1 1 A 7 7 ALA HA H 85 4.239 4.320 -0.081 1
1 57 . 7 1 1 A 7 7 ALA C C 85 178.462 178.002 0.460 1
1 58 . 7 1 1 A 7 7 ALA CA C 85 53.223 53.139 0.084 1
1 59 . 7 1 1 A 7 7 ALA CB C 85 18.801 18.802 -0.001 1
1 60 . 7 1 1 A 7 7 ALA N N 85 121.868 120.839 1.029 1
1 61 . 7 1 1 A 8 8 GLN H H 86 7.985 7.407 0.578 1
1 62 . 7 1 1 A 8 8 GLN HA H 86 4.264 4.718 -0.454 1
1 69 . 7 1 1 A 8 8 GLN C C 86 176.124 176.562 -0.438 1
1 70 . 7 1 1 A 8 8 GLN CA C 86 56.101 55.026 1.075 1
1 71 . 7 1 1 A 8 8 GLN CB C 86 29.456 29.212 0.244 1
1 73 . 7 1 1 A 8 8 GLN N N 86 117.727 116.961 0.766 1
1 75 . 7 1 1 A 9 9 LEU H H 87 8.102 8.060 0.042 1
1 76 . 7 1 1 A 9 9 LEU HA H 87 4.394 3.969 0.425 1
1 86 . 7 1 1 A 9 9 LEU C C 87 177.923 178.899 -0.976 1
1 87 . 7 1 1 A 9 9 LEU CA C 87 55.454 57.827 -2.373 1
1 88 . 7 1 1 A 9 9 LEU CB C 87 42.188 41.073 1.115 1
1 92 . 7 1 1 A 9 9 LEU N N 87 122.045 119.619 2.426 1
1 93 . 7 1 1 A 10 10 THR H H 88 7.902 8.259 -0.357 1
1 94 . 7 1 1 A 10 10 THR HA H 88 4.258 3.954 0.304 1
1 99 . 7 1 1 A 10 10 THR C C 88 175.742 177.083 -1.341 1
1 100 . 7 1 1 A 10 10 THR CA C 88 62.974 66.011 -3.037 1
1 101 . 7 1 1 A 10 10 THR CB C 88 69.759 68.132 1.627 1
1 103 . 7 1 1 A 10 10 THR N N 88 113.859 111.824 2.035 1
1 104 . 7 1 1 A 11 11 GLU H H 89 8.594 8.582 0.012 1
1 105 . 7 1 1 A 11 11 GLU HA H 89 4.213 3.990 0.223 1
1 110 . 7 1 1 A 11 11 GLU C C 89 177.577 179.402 -1.825 1
1 111 . 7 1 1 A 11 11 GLU CA C 89 58.496 60.303 -1.807 1
1 112 . 7 1 1 A 11 11 GLU CB C 89 29.751 29.055 0.696 1
1 114 . 7 1 1 A 11 11 GLU N N 89 122.144 122.179 -0.035 1
1 115 . 7 1 1 A 12 12 ASP H H 90 8.244 7.895 0.349 1
1 116 . 7 1 1 A 12 12 ASP HA H 90 4.419 4.474 -0.055 1
1 119 . 7 1 1 A 12 12 ASP C C 90 178.623 178.627 -0.004 1
1 120 . 7 1 1 A 12 12 ASP CA C 90 56.589 57.181 -0.592 1
1 121 . 7 1 1 A 12 12 ASP CB C 90 40.332 41.149 -0.817 1
1 122 . 7 1 1 A 12 12 ASP N N 90 119.922 120.165 -0.243 1
1 123 . 7 1 1 A 13 13 ILE H H 91 8.092 7.767 0.325 1
1 124 . 7 1 1 A 13 13 ILE HA H 91 3.987 3.528 0.459 1
1 134 . 7 1 1 A 13 13 ILE C C 91 177.124 178.267 -1.143 1
1 135 . 7 1 1 A 13 13 ILE CA C 91 63.562 64.956 -1.394 1
1 136 . 7 1 1 A 13 13 ILE CB C 91 37.830 37.369 0.461 1
1 140 . 7 1 1 A 13 13 ILE N N 91 122.909 119.928 2.981 1
1 141 . 7 1 1 A 14 14 THR H H 92 8.045 8.673 -0.628 1
1 142 . 7 1 1 A 14 14 THR HA H 92 4.040 3.951 0.089 1
1 147 . 7 1 1 A 14 14 THR C C 92 177.358 177.030 0.328 1
1 148 . 7 1 1 A 14 14 THR CA C 92 66.244 65.678 0.566 1
1 149 . 7 1 1 A 14 14 THR CB C 92 68.629 69.034 -0.405 1
1 151 . 7 1 1 A 14 14 THR N N 92 116.529 114.426 2.103 1
1 152 . 7 1 1 A 15 15 ARG H H 93 7.984 8.123 -0.139 1
1 153 . 7 1 1 A 15 15 ARG HA H 93 3.974 3.879 0.095 1
1 161 . 7 1 1 A 15 15 ARG C C 93 177.719 177.994 -0.275 1
1 162 . 7 1 1 A 15 15 ARG CA C 93 60.312 59.616 0.696 1
1 163 . 7 1 1 A 15 15 ARG CB C 93 30.591 29.774 0.817 1
1 166 . 7 1 1 A 15 15 ARG N N 93 121.521 121.073 0.448 1
1 167 . 7 1 1 A 16 16 TYR H H 94 7.948 7.726 0.222 1
1 168 . 7 1 1 A 16 16 TYR HA H 94 4.045 4.192 -0.147 1
1 175 . 7 1 1 A 16 16 TYR C C 94 177.690 177.115 0.575 1
1 176 . 7 1 1 A 16 16 TYR CA C 94 61.568 61.245 0.323 1
1 177 . 7 1 1 A 16 16 TYR CB C 94 37.543 38.272 -0.729 1
1 182 . 7 1 1 A 16 16 TYR N N 94 120.911 120.110 0.801 1
1 183 . 7 1 1 A 17 17 TYR H H 95 8.143 7.877 0.266 1
1 184 . 7 1 1 A 17 17 TYR HA H 95 4.049 4.100 -0.051 1
1 191 . 7 1 1 A 17 17 TYR C C 95 179.000 178.370 0.630 1
1 192 . 7 1 1 A 17 17 TYR CA C 95 61.454 61.126 0.328 1
1 193 . 7 1 1 A 17 17 TYR CB C 95 37.483 37.481 0.002 1
1 198 . 7 1 1 A 17 17 TYR N N 95 117.066 117.886 -0.820 1
1 199 . 7 1 1 A 18 18 LEU H H 96 7.976 8.432 -0.456 1
1 200 . 7 1 1 A 18 18 LEU HA H 96 4.203 4.016 0.187 1
1 210 . 7 1 1 A 18 18 LEU C C 96 178.998 178.243 0.755 1
1 211 . 7 1 1 A 18 18 LEU CA C 96 58.097 57.823 0.274 1
1 212 . 7 1 1 A 18 18 LEU CB C 96 41.814 41.812 0.002 1
1 216 . 7 1 1 A 18 18 LEU N N 96 123.012 121.235 1.777 1
1 217 . 7 1 1 A 19 19 CYS H H 97 8.163 8.481 -0.318 1
1 218 . 7 1 1 A 19 19 CYS HA H 97 3.783 3.996 -0.213 1
1 221 . 7 1 1 A 19 19 CYS C C 97 176.663 176.911 -0.248 1
1 222 . 7 1 1 A 19 19 CYS CA C 97 64.973 62.520 2.453 1
1 223 . 7 1 1 A 19 19 CYS CB C 97 25.966 27.082 -1.116 1
1 224 . 7 1 1 A 19 19 CYS N N 97 117.202 118.143 -0.941 1
1 225 . 7 1 1 A 20 20 LEU H H 98 7.863 8.017 -0.154 1
1 226 . 7 1 1 A 20 20 LEU HA H 98 3.681 3.758 -0.077 1
1 236 . 7 1 1 A 20 20 LEU C C 98 179.392 179.305 0.087 1
1 237 . 7 1 1 A 20 20 LEU CA C 98 58.319 58.085 0.234 1
1 238 . 7 1 1 A 20 20 LEU CB C 98 41.944 41.289 0.655 1
1 242 . 7 1 1 A 20 20 LEU N N 98 118.833 121.055 -2.222 1
1 243 . 7 1 1 A 21 21 GLN H H 99 7.658 7.755 -0.097 1
1 244 . 7 1 1 A 21 21 GLN HA H 99 3.909 4.040 -0.131 1
1 251 . 7 1 1 A 21 21 GLN C C 99 178.326 178.729 -0.403 1
1 252 . 7 1 1 A 21 21 GLN CA C 99 58.704 58.334 0.370 1
1 253 . 7 1 1 A 21 21 GLN CB C 99 28.630 28.413 0.217 1
1 255 . 7 1 1 A 21 21 GLN N N 99 118.958 117.005 1.953 1
1 257 . 7 1 1 A 22 22 LEU H H 100 8.214 8.606 -0.392 1
1 258 . 7 1 1 A 22 22 LEU HA H 100 4.150 3.953 0.197 1
1 268 . 7 1 1 A 22 22 LEU C C 100 179.438 179.232 0.206 1
1 269 . 7 1 1 A 22 22 LEU CA C 100 58.320 57.917 0.403 1
1 270 . 7 1 1 A 22 22 LEU CB C 100 42.816 41.545 1.271 1
1 274 . 7 1 1 A 22 22 LEU N N 100 119.829 120.028 -0.199 1
1 275 . 7 1 1 A 23 23 ARG H H 101 8.722 8.511 0.211 1
1 276 . 7 1 1 A 23 23 ARG HA H 101 3.946 4.016 -0.070 1
1 284 . 7 1 1 A 23 23 ARG C C 101 179.448 178.615 0.833 1
1 285 . 7 1 1 A 23 23 ARG CA C 101 60.910 59.180 1.730 1
1 286 . 7 1 1 A 23 23 ARG CB C 101 29.853 29.747 0.106 1
1 288 . 7 1 1 A 23 23 ARG N N 101 117.690 119.195 -1.505 1
1 289 . 7 1 1 A 24 24 GLN H H 102 7.804 7.712 0.092 1
1 290 . 7 1 1 A 24 24 GLN HA H 102 4.015 4.041 -0.026 1
1 297 . 7 1 1 A 24 24 GLN C C 102 178.951 178.753 0.198 1
1 298 . 7 1 1 A 24 24 GLN CA C 102 58.785 58.543 0.242 1
1 299 . 7 1 1 A 24 24 GLN CB C 102 28.263 28.301 -0.038 1
1 301 . 7 1 1 A 24 24 GLN N N 102 117.686 118.317 -0.631 1
1 303 . 7 1 1 A 25 25 ASP H H 103 8.393 8.062 0.331 1
1 304 . 7 1 1 A 25 25 ASP HA H 103 4.414 4.493 -0.079 1
1 307 . 7 1 1 A 25 25 ASP C C 103 179.476 178.925 0.551 1
1 308 . 7 1 1 A 25 25 ASP CA C 103 57.753 57.409 0.344 1
1 309 . 7 1 1 A 25 25 ASP CB C 103 40.432 40.492 -0.060 1
1 310 . 7 1 1 A 25 25 ASP N N 103 122.118 120.012 2.106 1
1 311 . 7 1 1 A 26 26 ILE H H 104 8.737 7.808 0.929 1
1 312 . 7 1 1 A 26 26 ILE HA H 104 3.761 3.675 0.086 1
1 320 . 7 1 1 A 26 26 ILE C C 104 180.320 178.071 2.249 1
1 321 . 7 1 1 A 26 26 ILE CA C 104 65.902 65.022 0.880 1
1 322 . 7 1 1 A 26 26 ILE CB C 104 38.826 38.012 0.814 1
1 325 . 7 1 1 A 26 26 ILE N N 104 122.668 120.770 1.898 1
1 326 . 7 1 1 A 27 27 VAL H H 105 7.923 7.948 -0.025 1
1 327 . 7 1 1 A 27 27 VAL HA H 105 3.077 3.929 -0.852 1
1 335 . 7 1 1 A 27 27 VAL C C 105 176.073 177.841 -1.768 1
1 336 . 7 1 1 A 27 27 VAL CA C 105 67.080 64.700 2.380 1
1 337 . 7 1 1 A 27 27 VAL CB C 105 31.450 31.521 -0.071 1
1 340 . 7 1 1 A 27 27 VAL N N 105 121.194 116.604 4.590 1
1 341 . 7 1 1 A 28 28 ALA H H 106 7.892 7.327 0.565 1
1 342 . 7 1 1 A 28 28 ALA HA H 106 4.286 4.333 -0.047 1
1 346 . 7 1 1 A 28 28 ALA C C 106 178.366 177.758 0.608 1
1 347 . 7 1 1 A 28 28 ALA CA C 106 52.572 52.022 0.550 1
1 348 . 7 1 1 A 28 28 ALA CB C 106 19.616 19.412 0.204 1
1 349 . 7 1 1 A 28 28 ALA N N 106 117.103 121.824 -4.721 1
1 350 . 7 1 1 A 29 29 GLY H H 107 7.670 8.080 -0.410 1
1 351 . 7 1 1 A 29 29 GLY HA2 H 107 4.181 3.938 0.243 1
1 352 . 7 1 1 A 29 29 GLY HA3 H 107 3.924 3.940 -0.016 1
1 353 . 7 1 1 A 29 29 GLY C C 107 174.596 175.439 -0.843 1
1 354 . 7 1 1 A 29 29 GLY CA C 107 45.157 46.546 -1.389 1
1 355 . 7 1 1 A 29 29 GLY N N 107 105.038 107.509 -2.471 1
1 356 . 7 1 1 A 30 30 ARG H H 108 7.972 8.419 -0.447 1
1 357 . 7 1 1 A 30 30 ARG HA H 108 4.185 4.370 -0.185 1
1 365 . 7 1 1 A 30 30 ARG C C 108 175.874 175.125 0.749 1
1 366 . 7 1 1 A 30 30 ARG CA C 108 57.987 55.898 2.089 1
1 367 . 7 1 1 A 30 30 ARG CB C 108 31.218 31.343 -0.125 1
1 370 . 7 1 1 A 30 30 ARG N N 108 118.333 118.132 0.201 1
1 371 . 7 1 1 A 31 31 LEU H H 109 6.696 7.546 -0.850 1
1 372 . 7 1 1 A 31 31 LEU HA H 109 4.939 4.722 0.217 1
1 382 . 7 1 1 A 31 31 LEU C C 109 173.324 174.277 -0.953 1
1 383 . 7 1 1 A 31 31 LEU CA C 109 50.930 51.671 -0.741 1
1 384 . 7 1 1 A 31 31 LEU CB C 109 43.480 44.357 -0.877 1
1 388 . 7 1 1 A 31 31 LEU N N 109 118.681 120.408 -1.727 1
1 389 . 7 1 1 A 32 32 PRO HA H 110 4.411 4.465 -0.054 1
1 396 . 7 1 1 A 32 32 PRO C C 110 176.694 175.778 0.916 1
1 397 . 7 1 1 A 32 32 PRO CA C 110 63.123 63.245 -0.122 1
1 398 . 7 1 1 A 32 32 PRO CB C 110 32.022 32.172 -0.150 1
1 401 . 7 1 1 A 33 33 CYS H H 111 8.273 8.676 -0.403 1
1 402 . 7 1 1 A 33 33 CYS HA H 111 4.834 4.962 -0.128 1
1 405 . 7 1 1 A 33 33 CYS C C 111 173.523 172.689 0.834 1
1 406 . 7 1 1 A 33 33 CYS CA C 111 57.890 58.272 -0.382 1
1 407 . 7 1 1 A 33 33 CYS CB C 111 32.282 32.594 -0.312 1
1 408 . 7 1 1 A 33 33 CYS N N 111 119.113 122.452 -3.339 1
1 409 . 7 1 1 A 34 34 SER H H 112 8.738 8.790 -0.052 1
1 410 . 7 1 1 A 34 34 SER HA H 112 4.527 5.001 -0.474 1
1 413 . 7 1 1 A 34 34 SER C C 112 173.709 175.270 -1.561 1
1 414 . 7 1 1 A 34 34 SER CA C 112 57.256 56.547 0.709 1
1 415 . 7 1 1 A 34 34 SER CB C 112 65.433 65.585 -0.152 1
1 416 . 7 1 1 A 34 34 SER N N 112 118.212 117.272 0.940 1
1 417 . 7 1 1 A 35 35 PHE H H 113 9.027 9.347 -0.320 1
1 418 . 7 1 1 A 35 35 PHE HA H 113 4.047 4.076 -0.029 1
1 426 . 7 1 1 A 35 35 PHE C C 113 176.433 177.134 -0.701 1
1 427 . 7 1 1 A 35 35 PHE CA C 113 62.623 62.708 -0.085 1
1 428 . 7 1 1 A 35 35 PHE CB C 113 39.128 39.746 -0.618 1
1 434 . 7 1 1 A 35 35 PHE N N 113 122.209 126.744 -4.535 1
1 435 . 7 1 1 A 36 36 ALA H H 114 8.631 8.365 0.266 1
1 436 . 7 1 1 A 36 36 ALA HA H 114 3.926 3.984 -0.058 1
1 440 . 7 1 1 A 36 36 ALA C C 114 181.064 179.837 1.227 1
1 441 . 7 1 1 A 36 36 ALA CA C 114 55.300 55.071 0.229 1
1 442 . 7 1 1 A 36 36 ALA CB C 114 18.423 18.310 0.113 1
1 443 . 7 1 1 A 36 36 ALA N N 114 118.977 121.173 -2.196 1
1 444 . 7 1 1 A 37 37 THR H H 115 7.886 7.836 0.050 1
1 445 . 7 1 1 A 37 37 THR HA H 115 3.859 3.952 -0.093 1
1 450 . 7 1 1 A 37 37 THR C C 115 175.630 176.608 -0.978 1
1 451 . 7 1 1 A 37 37 THR CA C 115 66.294 66.739 -0.445 1
1 452 . 7 1 1 A 37 37 THR CB C 115 68.298 67.991 0.307 1
1 454 . 7 1 1 A 37 37 THR N N 115 117.602 114.917 2.685 1
1 455 . 7 1 1 A 38 38 LEU H H 116 8.740 8.141 0.599 1
1 456 . 7 1 1 A 38 38 LEU HA H 116 3.904 3.907 -0.003 1
1 466 . 7 1 1 A 38 38 LEU C C 116 180.666 179.121 1.545 1
1 467 . 7 1 1 A 38 38 LEU CA C 116 58.166 57.987 0.179 1
1 468 . 7 1 1 A 38 38 LEU CB C 116 43.034 41.331 1.703 1
1 472 . 7 1 1 A 38 38 LEU N N 116 122.945 121.328 1.617 1
1 473 . 7 1 1 A 39 39 ALA H H 117 8.151 8.262 -0.111 1
1 474 . 7 1 1 A 39 39 ALA HA H 117 3.776 3.870 -0.094 1
1 478 . 7 1 1 A 39 39 ALA C C 117 178.461 179.819 -1.358 1
1 479 . 7 1 1 A 39 39 ALA CA C 117 53.839 54.938 -1.099 1
1 480 . 7 1 1 A 39 39 ALA CB C 117 17.406 17.959 -0.553 1
1 481 . 7 1 1 A 39 39 ALA N N 117 120.752 121.442 -0.690 1
1 482 . 7 1 1 A 40 40 LEU H H 118 7.801 8.066 -0.265 1
1 483 . 7 1 1 A 40 40 LEU HA H 118 3.892 3.981 -0.089 1
1 492 . 7 1 1 A 40 40 LEU C C 118 180.428 178.563 1.865 1
1 493 . 7 1 1 A 40 40 LEU CA C 118 57.978 57.936 0.042 1
1 494 . 7 1 1 A 40 40 LEU CB C 118 42.699 41.999 0.700 1
1 497 . 7 1 1 A 40 40 LEU N N 118 119.699 120.136 -0.437 1
1 498 . 7 1 1 A 41 41 LEU H H 119 9.153 8.822 0.331 1
1 499 . 7 1 1 A 41 41 LEU HA H 119 4.181 4.385 -0.204 1
1 509 . 7 1 1 A 41 41 LEU C C 119 179.132 179.334 -0.202 1
1 510 . 7 1 1 A 41 41 LEU CA C 119 58.696 58.331 0.365 1
1 511 . 7 1 1 A 41 41 LEU CB C 119 39.102 41.813 -2.711 1
1 515 . 7 1 1 A 41 41 LEU N N 119 118.687 119.327 -0.640 1
1 516 . 7 1 1 A 42 42 GLY H H 120 8.253 8.104 0.149 1
1 517 . 7 1 1 A 42 42 GLY HA2 H 120 4.016 3.741 0.275 1
1 518 . 7 1 1 A 42 42 GLY HA3 H 120 3.610 3.756 -0.146 1
1 519 . 7 1 1 A 42 42 GLY C C 120 175.046 176.388 -1.342 1
1 520 . 7 1 1 A 42 42 GLY CA C 120 48.060 47.442 0.618 1
1 521 . 7 1 1 A 42 42 GLY N N 120 106.562 106.910 -0.348 1
1 522 . 7 1 1 A 43 43 SER H H 121 8.456 8.302 0.154 1
1 523 . 7 1 1 A 43 43 SER HA H 121 3.928 4.094 -0.166 1
1 526 . 7 1 1 A 43 43 SER C C 121 175.318 176.248 -0.930 1
1 527 . 7 1 1 A 43 43 SER CA C 121 62.651 62.907 -0.256 1
1 528 . 7 1 1 A 43 43 SER CB C 121 62.722 63.313 -0.591 1
1 529 . 7 1 1 A 43 43 SER N N 121 117.787 118.557 -0.770 1
1 530 . 7 1 1 A 44 44 TYR H H 122 7.311 7.600 -0.289 1
1 531 . 7 1 1 A 44 44 TYR HA H 122 4.635 4.291 0.344 1
1 538 . 7 1 1 A 44 44 TYR C C 122 178.731 178.194 0.537 1
1 539 . 7 1 1 A 44 44 TYR CA C 122 61.704 60.656 1.048 1
1 540 . 7 1 1 A 44 44 TYR CB C 122 38.809 38.053 0.756 1
1 545 . 7 1 1 A 44 44 TYR N N 122 123.923 120.344 3.579 1
1 546 . 7 1 1 A 45 45 THR H H 123 8.748 8.117 0.631 1
1 547 . 7 1 1 A 45 45 THR HA H 123 3.747 3.925 -0.178 1
1 552 . 7 1 1 A 45 45 THR C C 123 175.781 176.649 -0.868 1
1 553 . 7 1 1 A 45 45 THR CA C 123 67.015 67.237 -0.222 1
1 554 . 7 1 1 A 45 45 THR CB C 123 67.670 67.935 -0.265 1
1 556 . 7 1 1 A 45 45 THR N N 123 121.374 115.163 6.211 1
1 557 . 7 1 1 A 46 46 ILE H H 124 8.131 8.107 0.024 1
1 558 . 7 1 1 A 46 46 ILE HA H 124 3.161 3.199 -0.038 1
1 568 . 7 1 1 A 46 46 ILE C C 124 177.130 177.778 -0.648 1
1 569 . 7 1 1 A 46 46 ILE CA C 124 62.478 65.500 -3.022 1
1 570 . 7 1 1 A 46 46 ILE CB C 124 35.268 37.641 -2.373 1
1 574 . 7 1 1 A 46 46 ILE N N 124 119.593 121.538 -1.945 1
1 575 . 7 1 1 A 47 47 GLN H H 125 7.871 7.904 -0.033 1
1 576 . 7 1 1 A 47 47 GLN HA H 125 4.110 3.537 0.573 1
1 583 . 7 1 1 A 47 47 GLN C C 125 178.150 177.740 0.410 1
1 584 . 7 1 1 A 47 47 GLN CA C 125 58.333 58.255 0.078 1
1 585 . 7 1 1 A 47 47 GLN CB C 125 27.448 27.875 -0.427 1
1 587 . 7 1 1 A 47 47 GLN N N 125 121.155 120.327 0.828 1
1 589 . 7 1 1 A 48 48 SER H H 126 8.194 7.833 0.361 1
1 590 . 7 1 1 A 48 48 SER HA H 126 4.055 4.274 -0.219 1
1 593 . 7 1 1 A 48 48 SER C C 126 176.209 176.071 0.138 1
1 594 . 7 1 1 A 48 48 SER CA C 126 60.823 61.098 -0.275 1
1 595 . 7 1 1 A 48 48 SER CB C 126 63.592 63.354 0.238 1
1 596 . 7 1 1 A 48 48 SER N N 126 111.964 116.990 -5.026 1
1 597 . 7 1 1 A 49 49 GLU H H 127 8.009 7.876 0.133 1
1 598 . 7 1 1 A 49 49 GLU HA H 127 4.296 4.089 0.207 1
1 603 . 7 1 1 A 49 49 GLU C C 127 178.319 177.856 0.463 1
1 604 . 7 1 1 A 49 49 GLU CA C 127 58.376 58.462 -0.086 1
1 605 . 7 1 1 A 49 49 GLU CB C 127 30.928 29.729 1.199 1
1 607 . 7 1 1 A 49 49 GLU N N 127 116.052 120.932 -4.880 1
1 608 . 7 1 1 A 50 50 LEU H H 128 8.916 8.258 0.658 1
1 609 . 7 1 1 A 50 50 LEU HA H 128 4.549 4.458 0.091 1
1 619 . 7 1 1 A 50 50 LEU C C 128 178.447 177.351 1.096 1
1 620 . 7 1 1 A 50 50 LEU CA C 128 55.159 54.541 0.618 1
1 621 . 7 1 1 A 50 50 LEU CB C 128 43.500 42.518 0.982 1
1 625 . 7 1 1 A 50 50 LEU N N 128 117.044 116.827 0.217 1
1 626 . 7 1 1 A 51 51 GLY H H 129 7.710 8.150 -0.440 1
1 627 . 7 1 1 A 51 51 GLY HA2 H 129 4.261 3.945 0.316 1
1 628 . 7 1 1 A 51 51 GLY HA3 H 129 3.994 3.961 0.033 1
1 629 . 7 1 1 A 51 51 GLY C C 129 172.406 173.659 -1.253 1
1 630 . 7 1 1 A 51 51 GLY CA C 129 44.162 47.065 -2.903 1
1 631 . 7 1 1 A 51 51 GLY N N 129 109.110 106.438 2.672 1
1 632 . 7 1 1 A 52 52 ASP H H 130 8.131 8.408 -0.277 1
1 633 . 7 1 1 A 52 52 ASP HA H 130 4.577 5.373 -0.796 1
1 636 . 7 1 1 A 52 52 ASP C C 130 176.862 174.543 2.319 1
1 637 . 7 1 1 A 52 52 ASP CA C 130 54.581 52.874 1.707 1
1 638 . 7 1 1 A 52 52 ASP CB C 130 41.028 43.693 -2.665 1
1 639 . 7 1 1 A 52 52 ASP N N 130 118.844 125.331 -6.487 1
1 640 . 7 1 1 A 53 53 TYR H H 131 8.732 8.926 -0.194 1
1 641 . 7 1 1 A 53 53 TYR HA H 131 4.410 4.249 0.161 1
1 648 . 7 1 1 A 53 53 TYR C C 131 174.929 174.337 0.592 1
1 649 . 7 1 1 A 53 53 TYR CA C 131 58.452 57.546 0.906 1
1 650 . 7 1 1 A 53 53 TYR CB C 131 37.536 38.627 -1.091 1
1 655 . 7 1 1 A 53 53 TYR N N 131 121.518 121.701 -0.183 1
1 656 . 7 1 1 A 54 54 ASP H H 132 9.981 8.048 1.933 1
1 657 . 7 1 1 A 54 54 ASP HA H 132 4.652 5.279 -0.627 1
1 660 . 7 1 1 A 54 54 ASP CA C 132 49.843 51.447 -1.604 1
1 661 . 7 1 1 A 54 54 ASP CB C 132 42.737 41.238 1.499 1
1 662 . 7 1 1 A 54 54 ASP N N 132 132.995 124.951 8.044 1
1 663 . 7 1 1 A 55 55 PRO HA H 133 4.117 4.332 -0.215 1
1 670 . 7 1 1 A 55 55 PRO C C 133 178.353 178.496 -0.143 1
1 671 . 7 1 1 A 55 55 PRO CA C 133 64.216 65.100 -0.884 1
1 672 . 7 1 1 A 55 55 PRO CB C 133 32.133 32.108 0.025 1
1 675 . 7 1 1 A 56 56 GLU H H 134 7.968 9.086 -1.118 1
1 676 . 7 1 1 A 56 56 GLU HA H 134 4.047 4.144 -0.097 1
1 681 . 7 1 1 A 56 56 GLU C C 134 177.001 178.815 -1.814 1
1 682 . 7 1 1 A 56 56 GLU CA C 134 57.984 58.746 -0.762 1
1 683 . 7 1 1 A 56 56 GLU CB C 134 29.667 28.175 1.492 1
1 685 . 7 1 1 A 56 56 GLU N N 134 116.491 117.085 -0.594 1
1 686 . 7 1 1 A 57 57 LEU H H 135 7.137 7.888 -0.751 1
1 687 . 7 1 1 A 57 57 LEU HA H 135 4.186 4.157 0.029 1
1 697 . 7 1 1 A 57 57 LEU C C 135 177.695 177.731 -0.036 1
1 698 . 7 1 1 A 57 57 LEU CA C 135 55.372 57.456 -2.084 1
1 699 . 7 1 1 A 57 57 LEU CB C 135 43.889 42.701 1.188 1
1 703 . 7 1 1 A 57 57 LEU N N 135 118.254 121.629 -3.375 1
1 704 . 7 1 1 A 58 58 HIS H H 136 8.121 7.586 0.535 1
1 705 . 7 1 1 A 58 58 HIS HA H 136 4.560 4.776 -0.216 1
1 709 . 7 1 1 A 58 58 HIS C C 136 176.135 175.328 0.807 1
1 710 . 7 1 1 A 58 58 HIS CA C 136 56.134 57.496 -1.362 1
1 711 . 7 1 1 A 58 58 HIS CB C 136 31.534 31.292 0.242 1
1 713 . 7 1 1 A 58 58 HIS N N 136 120.254 111.767 8.487 1
1 714 . 7 1 1 A 59 59 GLY H H 137 7.890 7.779 0.111 1
1 715 . 7 1 1 A 59 59 GLY HA2 H 137 4.166 4.119 0.047 1
1 716 . 7 1 1 A 59 59 GLY HA3 H 137 3.990 4.121 -0.131 1
1 717 . 7 1 1 A 59 59 GLY C C 137 175.021 171.933 3.088 1
1 718 . 7 1 1 A 59 59 GLY CA C 137 45.431 46.059 -0.628 1
1 719 . 7 1 1 A 59 59 GLY N N 137 108.183 103.904 4.279 1
1 720 . 7 1 1 A 60 60 VAL H H 138 8.519 8.463 0.056 1
1 721 . 7 1 1 A 60 60 VAL HA H 138 4.503 4.297 0.206 1
1 729 . 7 1 1 A 60 60 VAL C C 138 176.419 174.038 2.381 1
1 730 . 7 1 1 A 60 60 VAL CA C 138 62.905 59.639 3.266 1
1 731 . 7 1 1 A 60 60 VAL CB C 138 32.421 35.377 -2.956 1
1 734 . 7 1 1 A 60 60 VAL N N 138 116.738 119.902 -3.164 1
1 735 . 7 1 1 A 61 61 ASP H H 139 8.525 8.113 0.412 1
1 736 . 7 1 1 A 61 61 ASP HA H 139 4.959 4.281 0.678 1
1 739 . 7 1 1 A 61 61 ASP C C 139 177.816 176.128 1.688 1
1 740 . 7 1 1 A 61 61 ASP CA C 139 54.278 55.392 -1.114 1
1 741 . 7 1 1 A 61 61 ASP CB C 139 40.771 40.635 0.136 1
1 742 . 7 1 1 A 61 61 ASP N N 139 120.408 119.674 0.734 1
1 743 . 7 1 1 A 62 62 TYR H H 140 7.553 7.556 -0.003 1
1 744 . 7 1 1 A 62 62 TYR HA H 140 4.611 4.486 0.125 1
1 751 . 7 1 1 A 62 62 TYR C C 140 176.791 176.766 0.025 1
1 752 . 7 1 1 A 62 62 TYR CA C 140 59.811 58.517 1.294 1
1 753 . 7 1 1 A 62 62 TYR CB C 140 37.453 37.482 -0.029 1
1 758 . 7 1 1 A 62 62 TYR N N 140 118.187 117.405 0.782 1
1 759 . 7 1 1 A 63 63 VAL H H 141 7.645 7.795 -0.150 1
1 760 . 7 1 1 A 63 63 VAL HA H 141 3.861 4.014 -0.153 1
1 768 . 7 1 1 A 63 63 VAL C C 141 176.409 178.523 -2.114 1
1 769 . 7 1 1 A 63 63 VAL CA C 141 63.504 66.135 -2.631 1
1 770 . 7 1 1 A 63 63 VAL CB C 141 31.598 31.452 0.146 1
1 773 . 7 1 1 A 63 63 VAL N N 141 118.945 121.820 -2.875 1
1 774 . 7 1 1 A 64 64 SER H H 142 7.611 7.896 -0.285 1
1 775 . 7 1 1 A 64 64 SER HA H 142 4.234 4.306 -0.072 1
1 778 . 7 1 1 A 64 64 SER C C 142 175.035 174.942 0.093 1
1 779 . 7 1 1 A 64 64 SER CA C 142 60.628 61.394 -0.766 1
1 780 . 7 1 1 A 64 64 SER CB C 142 63.183 63.227 -0.044 1
1 781 . 7 1 1 A 64 64 SER N N 142 113.661 116.896 -3.235 1
1 782 . 7 1 1 A 65 65 ASP H H 143 7.440 7.563 -0.123 1
1 783 . 7 1 1 A 65 65 ASP HA H 143 4.568 4.444 0.124 1
1 786 . 7 1 1 A 65 65 ASP C C 143 175.376 175.738 -0.362 1
1 787 . 7 1 1 A 65 65 ASP CA C 143 55.077 55.372 -0.295 1
1 788 . 7 1 1 A 65 65 ASP CB C 143 40.913 41.302 -0.389 1
1 789 . 7 1 1 A 65 65 ASP N N 143 118.332 119.511 -1.179 1
1 790 . 7 1 1 A 66 66 PHE H H 144 8.115 7.666 0.449 1
1 791 . 7 1 1 A 66 66 PHE HA H 144 4.369 5.022 -0.653 1
1 798 . 7 1 1 A 66 66 PHE C C 144 174.524 175.195 -0.671 1
1 799 . 7 1 1 A 66 66 PHE CA C 144 57.705 56.650 1.055 1
1 800 . 7 1 1 A 66 66 PHE CB C 144 41.033 40.605 0.428 1
1 805 . 7 1 1 A 66 66 PHE N N 144 120.277 116.522 3.755 1
1 806 . 7 1 1 A 67 67 LYS H H 145 8.688 8.988 -0.300 1
1 807 . 7 1 1 A 67 67 LYS HA H 145 4.671 4.513 0.158 1
1 816 . 7 1 1 A 67 67 LYS C C 145 175.437 176.278 -0.841 1
1 817 . 7 1 1 A 67 67 LYS CA C 145 55.418 55.995 -0.577 1
1 818 . 7 1 1 A 67 67 LYS CB C 145 31.784 32.016 -0.232 1
1 822 . 7 1 1 A 67 67 LYS N N 145 122.931 125.570 -2.639 1
1 823 . 7 1 1 A 68 68 LEU H H 146 9.642 9.020 0.622 1
1 824 . 7 1 1 A 68 68 LEU HA H 146 4.484 4.447 0.037 1
1 834 . 7 1 1 A 68 68 LEU C C 146 175.512 176.565 -1.053 1
1 835 . 7 1 1 A 68 68 LEU CA C 146 54.375 55.745 -1.370 1
1 836 . 7 1 1 A 68 68 LEU CB C 146 44.114 42.995 1.119 1
1 840 . 7 1 1 A 68 68 LEU N N 146 123.156 126.452 -3.296 1
1 841 . 7 1 1 A 69 69 ALA H H 147 7.586 7.444 0.142 1
1 842 . 7 1 1 A 69 69 ALA HA H 147 4.597 4.711 -0.114 1
1 846 . 7 1 1 A 69 69 ALA C C 147 173.720 176.714 -2.994 1
1 847 . 7 1 1 A 69 69 ALA CA C 147 49.637 50.337 -0.700 1
1 848 . 7 1 1 A 69 69 ALA CB C 147 22.691 21.666 1.025 1
1 849 . 7 1 1 A 69 69 ALA N N 147 117.486 117.593 -0.107 1
1 850 . 7 1 1 A 70 70 PRO HA H 148 4.578 4.399 0.179 1
1 857 . 7 1 1 A 70 70 PRO C C 148 176.996 177.241 -0.245 1
1 858 . 7 1 1 A 70 70 PRO CA C 148 64.435 65.287 -0.852 1
1 859 . 7 1 1 A 70 70 PRO CB C 148 31.448 31.925 -0.477 1
1 862 . 7 1 1 A 71 71 ASN H H 149 8.221 8.043 0.178 1
1 863 . 7 1 1 A 71 71 ASN HA H 149 4.783 4.896 -0.113 1
1 868 . 7 1 1 A 71 71 ASN C C 149 173.865 173.860 0.005 1
1 869 . 7 1 1 A 71 71 ASN CA C 149 52.308 51.960 0.348 1
1 870 . 7 1 1 A 71 71 ASN CB C 149 38.065 37.592 0.473 1
1 871 . 7 1 1 A 71 71 ASN N N 149 116.940 114.409 2.531 1
1 873 . 7 1 1 A 72 72 GLN H H 150 8.467 8.914 -0.447 1
1 874 . 7 1 1 A 72 72 GLN HA H 150 3.962 4.654 -0.692 1
1 881 . 7 1 1 A 72 72 GLN C C 150 174.832 174.697 0.135 1
1 882 . 7 1 1 A 72 72 GLN CA C 150 57.793 56.069 1.724 1
1 883 . 7 1 1 A 72 72 GLN CB C 150 29.029 29.261 -0.232 1
1 885 . 7 1 1 A 72 72 GLN N N 150 123.793 125.929 -2.136 1
1 887 . 7 1 1 A 73 73 THR H H 151 7.040 8.469 -1.429 1
1 888 . 7 1 1 A 73 73 THR HA H 151 4.668 4.853 -0.185 1
1 893 . 7 1 1 A 73 73 THR C C 151 175.175 175.095 0.080 1
1 894 . 7 1 1 A 73 73 THR CA C 151 59.504 59.697 -0.193 1
1 895 . 7 1 1 A 73 73 THR CB C 151 72.544 71.198 1.346 1
1 897 . 7 1 1 A 73 73 THR N N 151 115.239 121.661 -6.422 1
1 898 . 7 1 1 A 74 74 LYS H H 152 8.949 9.041 -0.092 1
1 899 . 7 1 1 A 74 74 LYS HA H 152 4.109 4.011 0.098 1
1 908 . 7 1 1 A 74 74 LYS C C 152 178.758 178.278 0.480 1
1 909 . 7 1 1 A 74 74 LYS CA C 152 58.521 60.303 -1.782 1
1 910 . 7 1 1 A 74 74 LYS CB C 152 31.372 32.103 -0.731 1
1 914 . 7 1 1 A 74 74 LYS N N 152 122.065 126.916 -4.851 1
1 915 . 7 1 1 A 75 75 GLU H H 153 8.762 7.999 0.763 1
1 916 . 7 1 1 A 75 75 GLU HA H 153 4.098 4.119 -0.021 1
1 921 . 7 1 1 A 75 75 GLU C C 153 179.947 179.452 0.495 1
1 922 . 7 1 1 A 75 75 GLU CA C 153 60.405 59.192 1.213 1
1 923 . 7 1 1 A 75 75 GLU CB C 153 28.999 29.416 -0.417 1
1 925 . 7 1 1 A 75 75 GLU N N 153 118.335 119.179 -0.844 1
1 926 . 7 1 1 A 76 76 LEU H H 154 7.726 8.350 -0.624 1
1 927 . 7 1 1 A 76 76 LEU HA H 154 4.061 3.891 0.170 1
1 937 . 7 1 1 A 76 76 LEU C C 154 178.292 178.734 -0.442 1
1 938 . 7 1 1 A 76 76 LEU CA C 154 58.188 57.982 0.206 1
1 939 . 7 1 1 A 76 76 LEU CB C 154 41.061 41.689 -0.628 1
1 943 . 7 1 1 A 76 76 LEU N N 154 121.434 121.797 -0.363 1
1 944 . 7 1 1 A 77 77 GLU H H 155 8.044 8.457 -0.413 1
1 945 . 7 1 1 A 77 77 GLU HA H 155 3.394 3.964 -0.570 1
1 950 . 7 1 1 A 77 77 GLU C C 155 178.363 179.272 -0.909 1
1 951 . 7 1 1 A 77 77 GLU CA C 155 60.409 59.946 0.463 1
1 952 . 7 1 1 A 77 77 GLU CB C 155 28.697 29.324 -0.627 1
1 954 . 7 1 1 A 77 77 GLU N N 155 118.172 118.682 -0.510 1
1 955 . 7 1 1 A 78 78 GLU H H 156 8.657 8.833 -0.176 1
1 956 . 7 1 1 A 78 78 GLU HA H 156 3.945 4.008 -0.063 1
1 961 . 7 1 1 A 78 78 GLU C C 156 179.197 178.971 0.226 1
1 962 . 7 1 1 A 78 78 GLU CA C 156 59.869 59.392 0.477 1
1 963 . 7 1 1 A 78 78 GLU CB C 156 29.466 29.118 0.348 1
1 965 . 7 1 1 A 78 78 GLU N N 156 117.944 120.012 -2.068 1
1 966 . 7 1 1 A 79 79 LYS H H 157 7.564 7.828 -0.264 1
1 967 . 7 1 1 A 79 79 LYS HA H 157 4.245 4.154 0.091 1
1 976 . 7 1 1 A 79 79 LYS C C 157 178.328 178.944 -0.616 1
1 977 . 7 1 1 A 79 79 LYS CA C 157 57.557 58.885 -1.328 1
1 978 . 7 1 1 A 79 79 LYS CB C 157 30.969 32.378 -1.409 1
1 982 . 7 1 1 A 79 79 LYS N N 157 121.118 120.884 0.234 1
1 983 . 7 1 1 A 80 80 VAL H H 158 8.412 7.820 0.592 1
1 984 . 7 1 1 A 80 80 VAL HA H 158 3.314 3.890 -0.576 1
1 992 . 7 1 1 A 80 80 VAL C C 158 177.623 178.094 -0.471 1
1 993 . 7 1 1 A 80 80 VAL CA C 158 67.250 66.391 0.859 1
1 994 . 7 1 1 A 80 80 VAL CB C 158 30.867 31.755 -0.888 1
1 997 . 7 1 1 A 80 80 VAL N N 158 119.270 119.307 -0.037 1
1 998 . 7 1 1 A 81 81 MET H H 159 8.212 8.058 0.154 1
1 999 . 7 1 1 A 81 81 MET HA H 159 4.039 4.336 -0.297 1
1 1007 . 7 1 1 A 81 81 MET C C 159 177.305 178.906 -1.601 1
1 1008 . 7 1 1 A 81 81 MET CA C 159 59.998 59.164 0.834 1
1 1009 . 7 1 1 A 81 81 MET CB C 159 33.605 33.218 0.387 1
1 1012 . 7 1 1 A 81 81 MET N N 159 117.924 117.711 0.213 1
1 1013 . 7 1 1 A 82 82 GLU H H 160 7.780 8.534 -0.754 1
1 1014 . 7 1 1 A 82 82 GLU HA H 160 3.768 4.020 -0.252 1
1 1019 . 7 1 1 A 82 82 GLU C C 160 179.468 178.936 0.532 1
1 1020 . 7 1 1 A 82 82 GLU CA C 160 59.555 59.265 0.290 1
1 1021 . 7 1 1 A 82 82 GLU CB C 160 29.831 29.350 0.481 1
1 1023 . 7 1 1 A 82 82 GLU N N 160 119.282 120.375 -1.093 1
1 1024 . 7 1 1 A 83 83 LEU H H 161 7.748 8.285 -0.537 1
1 1025 . 7 1 1 A 83 83 LEU HA H 161 3.756 3.719 0.037 1
1 1035 . 7 1 1 A 83 83 LEU C C 161 179.113 178.935 0.178 1
1 1036 . 7 1 1 A 83 83 LEU CA C 161 57.246 57.625 -0.379 1
1 1037 . 7 1 1 A 83 83 LEU CB C 161 41.824 41.552 0.272 1
1 1041 . 7 1 1 A 83 83 LEU N N 161 118.542 120.280 -1.738 1
1 1042 . 7 1 1 A 84 84 HIS H H 162 8.842 8.135 0.707 1
1 1043 . 7 1 1 A 84 84 HIS HA H 162 3.986 4.259 -0.273 1
1 1047 . 7 1 1 A 84 84 HIS C C 162 178.286 176.800 1.486 1
1 1048 . 7 1 1 A 84 84 HIS CA C 162 58.407 60.310 -1.903 1
1 1049 . 7 1 1 A 84 84 HIS CB C 162 32.405 30.048 2.357 1
1 1051 . 7 1 1 A 84 84 HIS N N 162 120.325 118.514 1.811 1
1 1052 . 7 1 1 A 85 85 LYS H H 163 7.951 8.306 -0.355 1
1 1053 . 7 1 1 A 85 85 LYS HA H 163 3.383 3.815 -0.432 1
1 1062 . 7 1 1 A 85 85 LYS C C 163 177.303 179.127 -1.824 1
1 1063 . 7 1 1 A 85 85 LYS CA C 163 59.730 59.247 0.483 1
1 1064 . 7 1 1 A 85 85 LYS CB C 163 32.489 31.657 0.832 1
1 1068 . 7 1 1 A 85 85 LYS N N 163 116.598 119.926 -3.328 1
1 1069 . 7 1 1 A 86 86 SER H H 164 7.334 8.054 -0.720 1
1 1070 . 7 1 1 A 86 86 SER HA H 164 4.442 4.145 0.297 1
1 1073 . 7 1 1 A 86 86 SER C C 164 175.296 173.946 1.350 1
1 1074 . 7 1 1 A 86 86 SER CA C 164 59.708 60.570 -0.862 1
1 1075 . 7 1 1 A 86 86 SER CB C 164 64.669 62.680 1.989 1
1 1076 . 7 1 1 A 86 86 SER N N 164 113.922 114.286 -0.364 1
1 1077 . 7 1 1 A 87 87 TYR H H 165 7.321 7.432 -0.111 1
1 1078 . 7 1 1 A 87 87 TYR HA H 165 5.037 4.985 0.052 1
1 1085 . 7 1 1 A 87 87 TYR C C 165 175.143 175.414 -0.271 1
1 1086 . 7 1 1 A 87 87 TYR CA C 165 54.570 57.481 -2.911 1
1 1087 . 7 1 1 A 87 87 TYR CB C 165 36.575 40.380 -3.805 1
1 1092 . 7 1 1 A 87 87 TYR N N 165 123.163 119.701 3.462 1
1 1093 . 7 1 1 A 88 88 ARG H H 166 7.263 9.252 -1.989 1
1 1094 . 7 1 1 A 88 88 ARG HA H 166 4.264 4.682 -0.418 1
1 1102 . 7 1 1 A 88 88 ARG C C 166 177.455 176.677 0.778 1
1 1103 . 7 1 1 A 88 88 ARG CA C 166 58.086 55.937 2.149 1
1 1104 . 7 1 1 A 88 88 ARG CB C 166 30.702 32.083 -1.381 1
1 1107 . 7 1 1 A 88 88 ARG N N 166 119.334 123.785 -4.451 1
1 1108 . 7 1 1 A 89 89 SER H H 167 10.206 7.975 2.231 1
1 1109 . 7 1 1 A 89 89 SER HA H 167 4.265 4.818 -0.553 1
1 1112 . 7 1 1 A 89 89 SER C C 167 174.371 173.803 0.568 1
1 1113 . 7 1 1 A 89 89 SER CA C 167 60.818 57.954 2.864 1
1 1114 . 7 1 1 A 89 89 SER CB C 167 62.576 65.064 -2.488 1
1 1115 . 7 1 1 A 89 89 SER N N 167 121.486 112.743 8.743 1
1 1116 . 7 1 1 A 90 90 MET H H 168 8.409 7.698 0.711 1
1 1117 . 7 1 1 A 90 90 MET HA H 168 4.531 4.337 0.194 1
1 1125 . 7 1 1 A 90 90 MET C C 168 177.396 175.361 2.035 1
1 1126 . 7 1 1 A 90 90 MET CA C 168 56.283 56.383 -0.100 1
1 1127 . 7 1 1 A 90 90 MET CB C 168 35.048 33.303 1.745 1
1 1130 . 7 1 1 A 90 90 MET N N 168 124.849 122.206 2.643 1
1 1131 . 7 1 1 A 91 91 THR H H 169 8.981 8.222 0.759 1
1 1132 . 7 1 1 A 91 91 THR HA H 169 4.589 4.950 -0.361 1
1 1137 . 7 1 1 A 91 91 THR C C 169 173.532 174.407 -0.875 1
1 1138 . 7 1 1 A 91 91 THR CA C 169 61.052 58.894 2.158 1
1 1139 . 7 1 1 A 91 91 THR CB C 169 68.249 69.700 -1.451 1
1 1141 . 7 1 1 A 91 91 THR N N 169 122.910 114.282 8.628 1
1 1142 . 7 1 1 A 92 92 PRO HA H 170 4.151 4.206 -0.055 1
1 1147 . 7 1 1 A 92 92 PRO C C 170 177.481 178.068 -0.587 1
1 1148 . 7 1 1 A 92 92 PRO CA C 170 66.599 66.187 0.412 1
1 1149 . 7 1 1 A 92 92 PRO CB C 170 31.740 31.428 0.312 1
1 1151 . 7 1 1 A 93 93 ALA H H 171 7.833 8.355 -0.522 1
1 1152 . 7 1 1 A 93 93 ALA HA H 171 4.135 3.944 0.191 1
1 1156 . 7 1 1 A 93 93 ALA C C 171 180.982 180.666 0.316 1
1 1157 . 7 1 1 A 93 93 ALA CA C 171 54.982 55.410 -0.428 1
1 1158 . 7 1 1 A 93 93 ALA CB C 171 18.373 18.596 -0.223 1
1 1159 . 7 1 1 A 93 93 ALA N N 171 115.945 118.123 -2.178 1
1 1160 . 7 1 1 A 94 94 GLN H H 172 7.868 8.183 -0.315 1
1 1161 . 7 1 1 A 94 94 GLN HA H 172 3.911 4.007 -0.096 1
1 1168 . 7 1 1 A 94 94 GLN C C 172 178.279 178.494 -0.215 1
1 1169 . 7 1 1 A 94 94 GLN CA C 172 58.547 58.834 -0.287 1
1 1170 . 7 1 1 A 94 94 GLN CB C 172 28.318 28.289 0.029 1
1 1172 . 7 1 1 A 94 94 GLN N N 172 118.910 118.212 0.698 1
1 1174 . 7 1 1 A 95 95 ALA H H 173 8.459 7.743 0.716 1
1 1175 . 7 1 1 A 95 95 ALA HA H 173 4.066 3.790 0.276 1
1 1179 . 7 1 1 A 95 95 ALA C C 173 179.362 179.031 0.331 1
1 1180 . 7 1 1 A 95 95 ALA CA C 173 55.413 55.041 0.372 1
1 1181 . 7 1 1 A 95 95 ALA CB C 173 17.730 18.225 -0.495 1
1 1182 . 7 1 1 A 95 95 ALA N N 173 123.672 122.380 1.292 1
1 1183 . 7 1 1 A 96 96 ASP H H 174 8.541 8.268 0.273 1
1 1184 . 7 1 1 A 96 96 ASP HA H 174 4.317 4.353 -0.036 1
1 1187 . 7 1 1 A 96 96 ASP C C 174 178.340 178.402 -0.062 1
1 1188 . 7 1 1 A 96 96 ASP CA C 174 57.230 57.497 -0.267 1
1 1189 . 7 1 1 A 96 96 ASP CB C 174 40.024 40.658 -0.634 1
1 1190 . 7 1 1 A 96 96 ASP N N 174 119.397 119.087 0.310 1
1 1191 . 7 1 1 A 97 97 LEU H H 175 7.798 8.219 -0.421 1
1 1192 . 7 1 1 A 97 97 LEU HA H 175 3.968 4.127 -0.159 1
1 1202 . 7 1 1 A 97 97 LEU C C 175 179.822 178.620 1.202 1
1 1203 . 7 1 1 A 97 97 LEU CA C 175 58.737 57.231 1.506 1
1 1204 . 7 1 1 A 97 97 LEU CB C 175 41.661 41.462 0.199 1
1 1208 . 7 1 1 A 97 97 LEU N N 175 120.724 120.080 0.644 1
1 1209 . 7 1 1 A 98 98 GLU H H 176 8.172 8.058 0.114 1
1 1210 . 7 1 1 A 98 98 GLU HA H 176 3.885 3.717 0.168 1
1 1215 . 7 1 1 A 98 98 GLU C C 176 180.447 179.011 1.436 1
1 1216 . 7 1 1 A 98 98 GLU CA C 176 58.870 59.494 -0.624 1
1 1217 . 7 1 1 A 98 98 GLU CB C 176 27.413 28.477 -1.064 1
1 1219 . 7 1 1 A 98 98 GLU N N 176 119.724 119.343 0.381 1
1 1220 . 7 1 1 A 99 99 PHE H H 177 8.542 7.767 0.775 1
1 1221 . 7 1 1 A 99 99 PHE HA H 177 3.819 4.171 -0.352 1
1 1229 . 7 1 1 A 99 99 PHE C C 177 176.805 177.131 -0.326 1
1 1230 . 7 1 1 A 99 99 PHE CA C 177 62.277 61.306 0.971 1
1 1231 . 7 1 1 A 99 99 PHE CB C 177 38.948 39.166 -0.218 1
1 1237 . 7 1 1 A 99 99 PHE N N 177 123.837 121.404 2.433 1
1 1238 . 7 1 1 A 100 100 LEU H H 178 8.532 8.433 0.099 1
1 1239 . 7 1 1 A 100 100 LEU HA H 178 4.028 4.045 -0.017 1
1 1249 . 7 1 1 A 100 100 LEU C C 178 179.884 179.454 0.430 1
1 1250 . 7 1 1 A 100 100 LEU CA C 178 58.046 58.098 -0.052 1
1 1251 . 7 1 1 A 100 100 LEU CB C 178 41.419 41.362 0.057 1
1 1255 . 7 1 1 A 100 100 LEU N N 178 119.496 119.237 0.259 1
1 1256 . 7 1 1 A 101 101 GLU H H 179 8.769 8.543 0.226 1
1 1257 . 7 1 1 A 101 101 GLU HA H 179 4.043 3.983 0.060 1
1 1262 . 7 1 1 A 101 101 GLU C C 179 179.881 178.966 0.915 1
1 1263 . 7 1 1 A 101 101 GLU CA C 179 59.465 59.254 0.211 1
1 1264 . 7 1 1 A 101 101 GLU CB C 179 29.478 29.206 0.272 1
1 1266 . 7 1 1 A 101 101 GLU N N 179 120.825 120.049 0.776 1
1 1267 . 7 1 1 A 102 102 ASN H H 180 7.865 7.766 0.099 1
1 1268 . 7 1 1 A 102 102 ASN HA H 180 4.329 4.382 -0.053 1
1 1273 . 7 1 1 A 102 102 ASN C C 180 176.692 177.455 -0.763 1
1 1274 . 7 1 1 A 102 102 ASN CA C 180 57.537 55.718 1.819 1
1 1275 . 7 1 1 A 102 102 ASN CB C 180 40.085 38.291 1.794 1
1 1276 . 7 1 1 A 102 102 ASN N N 180 116.591 117.643 -1.052 1
1 1278 . 7 1 1 A 103 103 ALA H H 181 8.744 8.266 0.478 1
1 1279 . 7 1 1 A 103 103 ALA HA H 181 4.130 3.904 0.226 1
1 1283 . 7 1 1 A 103 103 ALA C C 181 179.546 179.731 -0.185 1
1 1284 . 7 1 1 A 103 103 ALA CA C 181 55.148 54.908 0.240 1
1 1285 . 7 1 1 A 103 103 ALA CB C 181 18.154 18.404 -0.250 1
1 1286 . 7 1 1 A 103 103 ALA N N 181 122.431 122.249 0.182 1
1 1287 . 7 1 1 A 104 104 LYS H H 182 8.493 7.908 0.585 1
1 1288 . 7 1 1 A 104 104 LYS HA H 182 3.786 3.800 -0.014 1
1 1297 . 7 1 1 A 104 104 LYS C C 182 180.012 179.138 0.874 1
1 1298 . 7 1 1 A 104 104 LYS CA C 182 58.547 59.587 -1.040 1
1 1299 . 7 1 1 A 104 104 LYS CB C 182 31.194 31.978 -0.784 1
1 1303 . 7 1 1 A 104 104 LYS N N 182 119.195 118.144 1.051 1
1 1304 . 7 1 1 A 105 105 LYS H H 183 7.661 7.549 0.112 1
1 1305 . 7 1 1 A 105 105 LYS HA H 183 4.111 4.100 0.011 1
1 1314 . 7 1 1 A 105 105 LYS C C 183 178.010 177.893 0.117 1
1 1315 . 7 1 1 A 105 105 LYS CA C 183 58.823 58.515 0.308 1
1 1316 . 7 1 1 A 105 105 LYS CB C 183 32.287 32.443 -0.156 1
1 1320 . 7 1 1 A 105 105 LYS N N 183 120.301 119.300 1.001 1
1 1321 . 7 1 1 A 106 106 LEU H H 184 7.403 7.135 0.268 1
1 1322 . 7 1 1 A 106 106 LEU HA H 184 4.385 4.377 0.008 1
1 1331 . 7 1 1 A 106 106 LEU C C 184 176.332 175.888 0.444 1
1 1332 . 7 1 1 A 106 106 LEU CA C 184 54.857 54.310 0.547 1
1 1333 . 7 1 1 A 106 106 LEU CB C 184 42.054 41.825 0.229 1
1 1336 . 7 1 1 A 106 106 LEU N N 184 118.606 118.993 -0.387 1
1 1337 . 7 1 1 A 107 107 SER H H 185 8.123 7.744 0.379 1
1 1338 . 7 1 1 A 107 107 SER HA H 185 4.202 4.070 0.132 1
1 1341 . 7 1 1 A 107 107 SER C C 185 174.826 174.371 0.455 1
1 1342 . 7 1 1 A 107 107 SER CA C 185 58.894 58.806 0.088 1
1 1343 . 7 1 1 A 107 107 SER CB C 185 61.684 61.893 -0.209 1
1 1344 . 7 1 1 A 107 107 SER N N 185 113.023 113.241 -0.218 1
1 1345 . 7 1 1 A 108 108 MET H H 186 8.212 8.020 0.192 1
1 1346 . 7 1 1 A 108 108 MET HA H 186 4.188 4.234 -0.046 1
1 1354 . 7 1 1 A 108 108 MET C C 186 174.495 176.223 -1.728 1
1 1355 . 7 1 1 A 108 108 MET CA C 186 57.328 58.373 -1.045 1
1 1356 . 7 1 1 A 108 108 MET CB C 186 33.414 33.178 0.236 1
1 1359 . 7 1 1 A 108 108 MET N N 186 117.267 118.284 -1.017 1
1 4 . 8 1 1 A 2 2 SER HA H 80 4.477 4.496 -0.019 1
1 7 . 8 1 1 A 2 2 SER CA C 80 58.344 59.512 -1.168 1
1 8 . 8 1 1 A 2 2 SER CB C 80 64.002 64.246 -0.244 1
1 9 . 8 1 1 A 3 3 HIS HA H 81 4.614 4.791 -0.177 1
1 13 . 8 1 1 A 3 3 HIS C C 81 174.681 173.823 0.858 1
1 14 . 8 1 1 A 3 3 HIS CA C 81 56.231 55.681 0.550 1
1 15 . 8 1 1 A 3 3 HIS CB C 81 29.839 30.462 -0.623 1
1 17 . 8 1 1 A 4 4 MET H H 82 8.285 7.784 0.501 1
1 18 . 8 1 1 A 4 4 MET HA H 82 4.416 5.055 -0.639 1
1 26 . 8 1 1 A 4 4 MET C C 82 175.286 174.274 1.012 1
1 27 . 8 1 1 A 4 4 MET CA C 82 55.165 54.150 1.015 1
1 28 . 8 1 1 A 4 4 MET CB C 82 32.988 38.346 -5.358 1
1 31 . 8 1 1 A 4 4 MET N N 82 121.559 117.997 3.562 1
1 32 . 8 1 1 A 5 5 ASP H H 83 8.362 8.722 -0.360 1
1 33 . 8 1 1 A 5 5 ASP HA H 83 4.844 4.947 -0.103 1
1 36 . 8 1 1 A 5 5 ASP C C 83 175.239 176.292 -1.053 1
1 37 . 8 1 1 A 5 5 ASP CA C 83 52.238 50.857 1.381 1
1 38 . 8 1 1 A 5 5 ASP CB C 83 41.471 41.289 0.182 1
1 39 . 8 1 1 A 5 5 ASP N N 83 124.060 121.310 2.750 1
1 40 . 8 1 1 A 6 6 PRO HA H 84 4.327 4.431 -0.104 1
1 47 . 8 1 1 A 6 6 PRO C C 84 177.388 177.644 -0.256 1
1 48 . 8 1 1 A 6 6 PRO CA C 84 64.084 64.626 -0.542 1
1 49 . 8 1 1 A 6 6 PRO CB C 84 32.022 32.063 -0.041 1
1 52 . 8 1 1 A 7 7 ALA H H 85 8.406 7.641 0.765 1
1 53 . 8 1 1 A 7 7 ALA HA H 85 4.239 4.241 -0.002 1
1 57 . 8 1 1 A 7 7 ALA C C 85 178.462 177.257 1.205 1
1 58 . 8 1 1 A 7 7 ALA CA C 85 53.223 54.139 -0.916 1
1 59 . 8 1 1 A 7 7 ALA CB C 85 18.801 19.618 -0.817 1
1 60 . 8 1 1 A 7 7 ALA N N 85 121.868 117.777 4.091 1
1 61 . 8 1 1 A 8 8 GLN H H 86 7.985 7.809 0.176 1
1 62 . 8 1 1 A 8 8 GLN HA H 86 4.264 3.907 0.357 1
1 69 . 8 1 1 A 8 8 GLN C C 86 176.124 175.797 0.327 1
1 70 . 8 1 1 A 8 8 GLN CA C 86 56.101 56.624 -0.523 1
1 71 . 8 1 1 A 8 8 GLN CB C 86 29.456 26.350 3.106 1
1 73 . 8 1 1 A 8 8 GLN N N 86 117.727 113.235 4.492 1
1 75 . 8 1 1 A 9 9 LEU H H 87 8.102 8.039 0.063 1
1 76 . 8 1 1 A 9 9 LEU HA H 87 4.394 4.569 -0.175 1
1 86 . 8 1 1 A 9 9 LEU C C 87 177.923 177.951 -0.028 1
1 87 . 8 1 1 A 9 9 LEU CA C 87 55.454 55.305 0.149 1
1 88 . 8 1 1 A 9 9 LEU CB C 87 42.188 41.801 0.387 1
1 92 . 8 1 1 A 9 9 LEU N N 87 122.045 118.454 3.591 1
1 93 . 8 1 1 A 10 10 THR H H 88 7.902 8.235 -0.333 1
1 94 . 8 1 1 A 10 10 THR HA H 88 4.258 3.959 0.299 1
1 99 . 8 1 1 A 10 10 THR C C 88 175.742 177.113 -1.371 1
1 100 . 8 1 1 A 10 10 THR CA C 88 62.974 65.799 -2.825 1
1 101 . 8 1 1 A 10 10 THR CB C 88 69.759 68.308 1.451 1
1 103 . 8 1 1 A 10 10 THR N N 88 113.859 114.649 -0.790 1
1 104 . 8 1 1 A 11 11 GLU H H 89 8.594 8.599 -0.005 1
1 105 . 8 1 1 A 11 11 GLU HA H 89 4.213 3.966 0.247 1
1 110 . 8 1 1 A 11 11 GLU C C 89 177.577 179.503 -1.926 1
1 111 . 8 1 1 A 11 11 GLU CA C 89 58.496 60.297 -1.801 1
1 112 . 8 1 1 A 11 11 GLU CB C 89 29.751 29.076 0.675 1
1 114 . 8 1 1 A 11 11 GLU N N 89 122.144 122.212 -0.068 1
1 115 . 8 1 1 A 12 12 ASP H H 90 8.244 7.582 0.662 1
1 116 . 8 1 1 A 12 12 ASP HA H 90 4.419 4.513 -0.094 1
1 119 . 8 1 1 A 12 12 ASP C C 90 178.623 178.794 -0.171 1
1 120 . 8 1 1 A 12 12 ASP CA C 90 56.589 57.092 -0.503 1
1 121 . 8 1 1 A 12 12 ASP CB C 90 40.332 40.736 -0.404 1
1 122 . 8 1 1 A 12 12 ASP N N 90 119.922 120.254 -0.332 1
1 123 . 8 1 1 A 13 13 ILE H H 91 8.092 7.938 0.154 1
1 124 . 8 1 1 A 13 13 ILE HA H 91 3.987 3.549 0.438 1
1 134 . 8 1 1 A 13 13 ILE C C 91 177.124 178.319 -1.195 1
1 135 . 8 1 1 A 13 13 ILE CA C 91 63.562 65.387 -1.825 1
1 136 . 8 1 1 A 13 13 ILE CB C 91 37.830 37.799 0.031 1
1 140 . 8 1 1 A 13 13 ILE N N 91 122.909 120.260 2.649 1
1 141 . 8 1 1 A 14 14 THR H H 92 8.045 8.538 -0.493 1
1 142 . 8 1 1 A 14 14 THR HA H 92 4.040 4.057 -0.017 1
1 147 . 8 1 1 A 14 14 THR C C 92 177.358 176.922 0.436 1
1 148 . 8 1 1 A 14 14 THR CA C 92 66.244 65.539 0.705 1
1 149 . 8 1 1 A 14 14 THR CB C 92 68.629 68.993 -0.364 1
1 151 . 8 1 1 A 14 14 THR N N 92 116.529 114.769 1.760 1
1 152 . 8 1 1 A 15 15 ARG H H 93 7.984 8.084 -0.100 1
1 153 . 8 1 1 A 15 15 ARG HA H 93 3.974 3.981 -0.007 1
1 161 . 8 1 1 A 15 15 ARG C C 93 177.719 177.857 -0.138 1
1 162 . 8 1 1 A 15 15 ARG CA C 93 60.312 59.431 0.881 1
1 163 . 8 1 1 A 15 15 ARG CB C 93 30.591 29.713 0.878 1
1 166 . 8 1 1 A 15 15 ARG N N 93 121.521 121.044 0.477 1
1 167 . 8 1 1 A 16 16 TYR H H 94 7.948 7.921 0.027 1
1 168 . 8 1 1 A 16 16 TYR HA H 94 4.045 4.254 -0.209 1
1 175 . 8 1 1 A 16 16 TYR C C 94 177.690 177.138 0.552 1
1 176 . 8 1 1 A 16 16 TYR CA C 94 61.568 61.359 0.209 1
1 177 . 8 1 1 A 16 16 TYR CB C 94 37.543 38.558 -1.015 1
1 182 . 8 1 1 A 16 16 TYR N N 94 120.911 120.423 0.488 1
1 183 . 8 1 1 A 17 17 TYR H H 95 8.143 7.822 0.321 1
1 184 . 8 1 1 A 17 17 TYR HA H 95 4.049 4.046 0.003 1
1 191 . 8 1 1 A 17 17 TYR C C 95 179.000 178.366 0.634 1
1 192 . 8 1 1 A 17 17 TYR CA C 95 61.454 61.383 0.071 1
1 193 . 8 1 1 A 17 17 TYR CB C 95 37.483 37.534 -0.051 1
1 198 . 8 1 1 A 17 17 TYR N N 95 117.066 118.044 -0.978 1
1 199 . 8 1 1 A 18 18 LEU H H 96 7.976 8.452 -0.476 1
1 200 . 8 1 1 A 18 18 LEU HA H 96 4.203 4.218 -0.015 1
1 210 . 8 1 1 A 18 18 LEU C C 96 178.998 178.527 0.471 1
1 211 . 8 1 1 A 18 18 LEU CA C 96 58.097 58.070 0.027 1
1 212 . 8 1 1 A 18 18 LEU CB C 96 41.814 42.032 -0.218 1
1 216 . 8 1 1 A 18 18 LEU N N 96 123.012 121.259 1.753 1
1 217 . 8 1 1 A 19 19 CYS H H 97 8.163 8.465 -0.302 1
1 218 . 8 1 1 A 19 19 CYS HA H 97 3.783 4.080 -0.297 1
1 221 . 8 1 1 A 19 19 CYS C C 97 176.663 176.955 -0.292 1
1 222 . 8 1 1 A 19 19 CYS CA C 97 64.973 62.588 2.385 1
1 223 . 8 1 1 A 19 19 CYS CB C 97 25.966 27.163 -1.197 1
1 224 . 8 1 1 A 19 19 CYS N N 97 117.202 118.070 -0.868 1
1 225 . 8 1 1 A 20 20 LEU H H 98 7.863 8.036 -0.173 1
1 226 . 8 1 1 A 20 20 LEU HA H 98 3.681 3.827 -0.146 1
1 236 . 8 1 1 A 20 20 LEU C C 98 179.392 179.339 0.053 1
1 237 . 8 1 1 A 20 20 LEU CA C 98 58.319 58.119 0.200 1
1 238 . 8 1 1 A 20 20 LEU CB C 98 41.944 41.303 0.641 1
1 242 . 8 1 1 A 20 20 LEU N N 98 118.833 121.298 -2.465 1
1 243 . 8 1 1 A 21 21 GLN H H 99 7.658 7.842 -0.184 1
1 244 . 8 1 1 A 21 21 GLN HA H 99 3.909 4.054 -0.145 1
1 251 . 8 1 1 A 21 21 GLN C C 99 178.326 178.718 -0.392 1
1 252 . 8 1 1 A 21 21 GLN CA C 99 58.704 58.362 0.342 1
1 253 . 8 1 1 A 21 21 GLN CB C 99 28.630 28.411 0.219 1
1 255 . 8 1 1 A 21 21 GLN N N 99 118.958 117.586 1.372 1
1 257 . 8 1 1 A 22 22 LEU H H 100 8.214 8.785 -0.571 1
1 258 . 8 1 1 A 22 22 LEU HA H 100 4.150 3.966 0.184 1
1 268 . 8 1 1 A 22 22 LEU C C 100 179.438 179.220 0.218 1
1 269 . 8 1 1 A 22 22 LEU CA C 100 58.320 57.934 0.386 1
1 270 . 8 1 1 A 22 22 LEU CB C 100 42.816 41.659 1.157 1
1 274 . 8 1 1 A 22 22 LEU N N 100 119.829 120.117 -0.288 1
1 275 . 8 1 1 A 23 23 ARG H H 101 8.722 8.342 0.380 1
1 276 . 8 1 1 A 23 23 ARG HA H 101 3.946 3.967 -0.021 1
1 284 . 8 1 1 A 23 23 ARG C C 101 179.448 178.711 0.737 1
1 285 . 8 1 1 A 23 23 ARG CA C 101 60.910 59.236 1.674 1
1 286 . 8 1 1 A 23 23 ARG CB C 101 29.853 29.748 0.105 1
1 288 . 8 1 1 A 23 23 ARG N N 101 117.690 119.053 -1.363 1
1 289 . 8 1 1 A 24 24 GLN H H 102 7.804 7.722 0.082 1
1 290 . 8 1 1 A 24 24 GLN HA H 102 4.015 4.039 -0.024 1
1 297 . 8 1 1 A 24 24 GLN C C 102 178.951 178.783 0.168 1
1 298 . 8 1 1 A 24 24 GLN CA C 102 58.785 58.540 0.245 1
1 299 . 8 1 1 A 24 24 GLN CB C 102 28.263 28.294 -0.031 1
1 301 . 8 1 1 A 24 24 GLN N N 102 117.686 118.358 -0.672 1
1 303 . 8 1 1 A 25 25 ASP H H 103 8.393 7.938 0.455 1
1 304 . 8 1 1 A 25 25 ASP HA H 103 4.414 4.487 -0.073 1
1 307 . 8 1 1 A 25 25 ASP C C 103 179.476 178.831 0.645 1
1 308 . 8 1 1 A 25 25 ASP CA C 103 57.753 57.390 0.363 1
1 309 . 8 1 1 A 25 25 ASP CB C 103 40.432 41.184 -0.752 1
1 310 . 8 1 1 A 25 25 ASP N N 103 122.118 120.236 1.882 1
1 311 . 8 1 1 A 26 26 ILE H H 104 8.737 7.941 0.796 1
1 312 . 8 1 1 A 26 26 ILE HA H 104 3.761 3.620 0.141 1
1 320 . 8 1 1 A 26 26 ILE C C 104 180.320 178.010 2.310 1
1 321 . 8 1 1 A 26 26 ILE CA C 104 65.902 65.421 0.481 1
1 322 . 8 1 1 A 26 26 ILE CB C 104 38.826 38.016 0.810 1
1 325 . 8 1 1 A 26 26 ILE N N 104 122.668 120.708 1.960 1
1 326 . 8 1 1 A 27 27 VAL H H 105 7.923 7.776 0.147 1
1 327 . 8 1 1 A 27 27 VAL HA H 105 3.077 3.894 -0.817 1
1 335 . 8 1 1 A 27 27 VAL C C 105 176.073 177.265 -1.192 1
1 336 . 8 1 1 A 27 27 VAL CA C 105 67.080 64.760 2.320 1
1 337 . 8 1 1 A 27 27 VAL CB C 105 31.450 31.531 -0.081 1
1 340 . 8 1 1 A 27 27 VAL N N 105 121.194 116.778 4.416 1
1 341 . 8 1 1 A 28 28 ALA H H 106 7.892 7.097 0.795 1
1 342 . 8 1 1 A 28 28 ALA HA H 106 4.286 4.368 -0.082 1
1 346 . 8 1 1 A 28 28 ALA C C 106 178.366 177.726 0.640 1
1 347 . 8 1 1 A 28 28 ALA CA C 106 52.572 52.022 0.550 1
1 348 . 8 1 1 A 28 28 ALA CB C 106 19.616 19.627 -0.011 1
1 349 . 8 1 1 A 28 28 ALA N N 106 117.103 121.697 -4.594 1
1 350 . 8 1 1 A 29 29 GLY H H 107 7.670 8.242 -0.572 1
1 351 . 8 1 1 A 29 29 GLY HA2 H 107 4.181 3.929 0.252 1
1 352 . 8 1 1 A 29 29 GLY HA3 H 107 3.924 3.930 -0.006 1
1 353 . 8 1 1 A 29 29 GLY C C 107 174.596 175.199 -0.603 1
1 354 . 8 1 1 A 29 29 GLY CA C 107 45.157 46.504 -1.347 1
1 355 . 8 1 1 A 29 29 GLY N N 107 105.038 107.024 -1.986 1
1 356 . 8 1 1 A 30 30 ARG H H 108 7.972 8.551 -0.579 1
1 357 . 8 1 1 A 30 30 ARG HA H 108 4.185 4.301 -0.116 1
1 365 . 8 1 1 A 30 30 ARG C C 108 175.874 175.349 0.525 1
1 366 . 8 1 1 A 30 30 ARG CA C 108 57.987 56.443 1.544 1
1 367 . 8 1 1 A 30 30 ARG CB C 108 31.218 30.486 0.732 1
1 370 . 8 1 1 A 30 30 ARG N N 108 118.333 118.406 -0.073 1
1 371 . 8 1 1 A 31 31 LEU H H 109 6.696 7.525 -0.829 1
1 372 . 8 1 1 A 31 31 LEU HA H 109 4.939 4.772 0.167 1
1 382 . 8 1 1 A 31 31 LEU C C 109 173.324 173.814 -0.490 1
1 383 . 8 1 1 A 31 31 LEU CA C 109 50.930 51.459 -0.529 1
1 384 . 8 1 1 A 31 31 LEU CB C 109 43.480 45.701 -2.221 1
1 388 . 8 1 1 A 31 31 LEU N N 109 118.681 119.950 -1.269 1
1 389 . 8 1 1 A 32 32 PRO HA H 110 4.411 4.791 -0.380 1
1 396 . 8 1 1 A 32 32 PRO C C 110 176.694 176.083 0.611 1
1 397 . 8 1 1 A 32 32 PRO CA C 110 63.123 62.794 0.329 1
1 398 . 8 1 1 A 32 32 PRO CB C 110 32.022 31.758 0.264 1
1 401 . 8 1 1 A 33 33 CYS H H 111 8.273 8.530 -0.257 1
1 402 . 8 1 1 A 33 33 CYS HA H 111 4.834 5.096 -0.262 1
1 405 . 8 1 1 A 33 33 CYS C C 111 173.523 173.225 0.298 1
1 406 . 8 1 1 A 33 33 CYS CA C 111 57.890 57.778 0.112 1
1 407 . 8 1 1 A 33 33 CYS CB C 111 32.282 32.994 -0.712 1
1 408 . 8 1 1 A 33 33 CYS N N 111 119.113 122.583 -3.470 1
1 409 . 8 1 1 A 34 34 SER H H 112 8.738 8.427 0.311 1
1 410 . 8 1 1 A 34 34 SER HA H 112 4.527 4.950 -0.423 1
1 413 . 8 1 1 A 34 34 SER C C 112 173.709 175.206 -1.497 1
1 414 . 8 1 1 A 34 34 SER CA C 112 57.256 56.295 0.961 1
1 415 . 8 1 1 A 34 34 SER CB C 112 65.433 66.306 -0.873 1
1 416 . 8 1 1 A 34 34 SER N N 112 118.212 114.983 3.229 1
1 417 . 8 1 1 A 35 35 PHE H H 113 9.027 9.295 -0.268 1
1 418 . 8 1 1 A 35 35 PHE HA H 113 4.047 4.056 -0.009 1
1 426 . 8 1 1 A 35 35 PHE C C 113 176.433 177.163 -0.730 1
1 427 . 8 1 1 A 35 35 PHE CA C 113 62.623 62.718 -0.095 1
1 428 . 8 1 1 A 35 35 PHE CB C 113 39.128 39.734 -0.606 1
1 434 . 8 1 1 A 35 35 PHE N N 113 122.209 122.306 -0.097 1
1 435 . 8 1 1 A 36 36 ALA H H 114 8.631 8.276 0.355 1
1 436 . 8 1 1 A 36 36 ALA HA H 114 3.926 3.823 0.103 1
1 440 . 8 1 1 A 36 36 ALA C C 114 181.064 179.839 1.225 1
1 441 . 8 1 1 A 36 36 ALA CA C 114 55.300 55.069 0.231 1
1 442 . 8 1 1 A 36 36 ALA CB C 114 18.423 18.352 0.071 1
1 443 . 8 1 1 A 36 36 ALA N N 114 118.977 121.062 -2.085 1
1 444 . 8 1 1 A 37 37 THR H H 115 7.886 7.941 -0.055 1
1 445 . 8 1 1 A 37 37 THR HA H 115 3.859 3.925 -0.066 1
1 450 . 8 1 1 A 37 37 THR C C 115 175.630 176.444 -0.814 1
1 451 . 8 1 1 A 37 37 THR CA C 115 66.294 67.040 -0.746 1
1 452 . 8 1 1 A 37 37 THR CB C 115 68.298 67.742 0.556 1
1 454 . 8 1 1 A 37 37 THR N N 115 117.602 114.936 2.666 1
1 455 . 8 1 1 A 38 38 LEU H H 116 8.740 8.280 0.460 1
1 456 . 8 1 1 A 38 38 LEU HA H 116 3.904 3.891 0.013 1
1 466 . 8 1 1 A 38 38 LEU C C 116 180.666 179.218 1.448 1
1 467 . 8 1 1 A 38 38 LEU CA C 116 58.166 57.927 0.239 1
1 468 . 8 1 1 A 38 38 LEU CB C 116 43.034 41.530 1.504 1
1 472 . 8 1 1 A 38 38 LEU N N 116 122.945 121.313 1.632 1
1 473 . 8 1 1 A 39 39 ALA H H 117 8.151 8.191 -0.040 1
1 474 . 8 1 1 A 39 39 ALA HA H 117 3.776 3.863 -0.087 1
1 478 . 8 1 1 A 39 39 ALA C C 117 178.461 179.780 -1.319 1
1 479 . 8 1 1 A 39 39 ALA CA C 117 53.839 54.904 -1.065 1
1 480 . 8 1 1 A 39 39 ALA CB C 117 17.406 17.884 -0.478 1
1 481 . 8 1 1 A 39 39 ALA N N 117 120.752 121.490 -0.738 1
1 482 . 8 1 1 A 40 40 LEU H H 118 7.801 8.055 -0.254 1
1 483 . 8 1 1 A 40 40 LEU HA H 118 3.892 3.923 -0.031 1
1 492 . 8 1 1 A 40 40 LEU C C 118 180.428 178.483 1.945 1
1 493 . 8 1 1 A 40 40 LEU CA C 118 57.978 57.877 0.101 1
1 494 . 8 1 1 A 40 40 LEU CB C 118 42.699 41.871 0.828 1
1 497 . 8 1 1 A 40 40 LEU N N 118 119.699 120.109 -0.410 1
1 498 . 8 1 1 A 41 41 LEU H H 119 9.153 8.823 0.330 1
1 499 . 8 1 1 A 41 41 LEU HA H 119 4.181 4.422 -0.241 1
1 509 . 8 1 1 A 41 41 LEU C C 119 179.132 179.285 -0.153 1
1 510 . 8 1 1 A 41 41 LEU CA C 119 58.696 58.298 0.398 1
1 511 . 8 1 1 A 41 41 LEU CB C 119 39.102 41.841 -2.739 1
1 515 . 8 1 1 A 41 41 LEU N N 119 118.687 119.288 -0.601 1
1 516 . 8 1 1 A 42 42 GLY H H 120 8.253 8.093 0.160 1
1 517 . 8 1 1 A 42 42 GLY HA2 H 120 4.016 3.702 0.314 1
1 518 . 8 1 1 A 42 42 GLY HA3 H 120 3.610 3.713 -0.103 1
1 519 . 8 1 1 A 42 42 GLY C C 120 175.046 175.871 -0.825 1
1 520 . 8 1 1 A 42 42 GLY CA C 120 48.060 47.398 0.662 1
1 521 . 8 1 1 A 42 42 GLY N N 120 106.562 106.895 -0.333 1
1 522 . 8 1 1 A 43 43 SER H H 121 8.456 8.534 -0.078 1
1 523 . 8 1 1 A 43 43 SER HA H 121 3.928 4.071 -0.143 1
1 526 . 8 1 1 A 43 43 SER C C 121 175.318 176.545 -1.227 1
1 527 . 8 1 1 A 43 43 SER CA C 121 62.651 61.172 1.479 1
1 528 . 8 1 1 A 43 43 SER CB C 121 62.722 62.953 -0.231 1
1 529 . 8 1 1 A 43 43 SER N N 121 117.787 116.834 0.953 1
1 530 . 8 1 1 A 44 44 TYR H H 122 7.311 7.535 -0.224 1
1 531 . 8 1 1 A 44 44 TYR HA H 122 4.635 4.308 0.327 1
1 538 . 8 1 1 A 44 44 TYR C C 122 178.731 178.305 0.426 1
1 539 . 8 1 1 A 44 44 TYR CA C 122 61.704 60.580 1.124 1
1 540 . 8 1 1 A 44 44 TYR CB C 122 38.809 38.110 0.699 1
1 545 . 8 1 1 A 44 44 TYR N N 122 123.923 119.769 4.154 1
1 546 . 8 1 1 A 45 45 THR H H 123 8.748 8.079 0.669 1
1 547 . 8 1 1 A 45 45 THR HA H 123 3.747 3.913 -0.166 1
1 552 . 8 1 1 A 45 45 THR C C 123 175.781 176.779 -0.998 1
1 553 . 8 1 1 A 45 45 THR CA C 123 67.015 66.874 0.141 1
1 554 . 8 1 1 A 45 45 THR CB C 123 67.670 67.843 -0.173 1
1 556 . 8 1 1 A 45 45 THR N N 123 121.374 115.046 6.328 1
1 557 . 8 1 1 A 46 46 ILE H H 124 8.131 7.803 0.328 1
1 558 . 8 1 1 A 46 46 ILE HA H 124 3.161 2.989 0.172 1
1 568 . 8 1 1 A 46 46 ILE C C 124 177.130 177.641 -0.511 1
1 569 . 8 1 1 A 46 46 ILE CA C 124 62.478 65.049 -2.571 1
1 570 . 8 1 1 A 46 46 ILE CB C 124 35.268 37.241 -1.973 1
1 574 . 8 1 1 A 46 46 ILE N N 124 119.593 121.416 -1.823 1
1 575 . 8 1 1 A 47 47 GLN H H 125 7.871 7.857 0.014 1
1 576 . 8 1 1 A 47 47 GLN HA H 125 4.110 3.895 0.215 1
1 583 . 8 1 1 A 47 47 GLN C C 125 178.150 177.716 0.434 1
1 584 . 8 1 1 A 47 47 GLN CA C 125 58.333 58.597 -0.264 1
1 585 . 8 1 1 A 47 47 GLN CB C 125 27.448 28.169 -0.721 1
1 587 . 8 1 1 A 47 47 GLN N N 125 121.155 119.979 1.176 1
1 589 . 8 1 1 A 48 48 SER H H 126 8.194 7.863 0.331 1
1 590 . 8 1 1 A 48 48 SER HA H 126 4.055 4.302 -0.247 1
1 593 . 8 1 1 A 48 48 SER C C 126 176.209 176.223 -0.014 1
1 594 . 8 1 1 A 48 48 SER CA C 126 60.823 61.146 -0.323 1
1 595 . 8 1 1 A 48 48 SER CB C 126 63.592 63.196 0.396 1
1 596 . 8 1 1 A 48 48 SER N N 126 111.964 115.772 -3.808 1
1 597 . 8 1 1 A 49 49 GLU H H 127 8.009 7.718 0.291 1
1 598 . 8 1 1 A 49 49 GLU HA H 127 4.296 4.186 0.110 1
1 603 . 8 1 1 A 49 49 GLU C C 127 178.319 178.115 0.204 1
1 604 . 8 1 1 A 49 49 GLU CA C 127 58.376 58.718 -0.342 1
1 605 . 8 1 1 A 49 49 GLU CB C 127 30.928 30.215 0.713 1
1 607 . 8 1 1 A 49 49 GLU N N 127 116.052 121.111 -5.059 1
1 608 . 8 1 1 A 50 50 LEU H H 128 8.916 8.405 0.511 1
1 609 . 8 1 1 A 50 50 LEU HA H 128 4.549 4.473 0.076 1
1 619 . 8 1 1 A 50 50 LEU C C 128 178.447 177.374 1.073 1
1 620 . 8 1 1 A 50 50 LEU CA C 128 55.159 54.623 0.536 1
1 621 . 8 1 1 A 50 50 LEU CB C 128 43.500 42.462 1.038 1
1 625 . 8 1 1 A 50 50 LEU N N 128 117.044 116.718 0.326 1
1 626 . 8 1 1 A 51 51 GLY H H 129 7.710 7.866 -0.156 1
1 627 . 8 1 1 A 51 51 GLY HA2 H 129 4.261 3.992 0.269 1
1 628 . 8 1 1 A 51 51 GLY HA3 H 129 3.994 4.008 -0.014 1
1 629 . 8 1 1 A 51 51 GLY C C 129 172.406 173.522 -1.116 1
1 630 . 8 1 1 A 51 51 GLY CA C 129 44.162 46.797 -2.635 1
1 631 . 8 1 1 A 51 51 GLY N N 129 109.110 106.367 2.743 1
1 632 . 8 1 1 A 52 52 ASP H H 130 8.131 8.530 -0.399 1
1 633 . 8 1 1 A 52 52 ASP HA H 130 4.577 5.309 -0.732 1
1 636 . 8 1 1 A 52 52 ASP C C 130 176.862 175.264 1.598 1
1 637 . 8 1 1 A 52 52 ASP CA C 130 54.581 53.382 1.199 1
1 638 . 8 1 1 A 52 52 ASP CB C 130 41.028 42.902 -1.874 1
1 639 . 8 1 1 A 52 52 ASP N N 130 118.844 125.203 -6.359 1
1 640 . 8 1 1 A 53 53 TYR H H 131 8.732 8.915 -0.183 1
1 641 . 8 1 1 A 53 53 TYR HA H 131 4.410 4.348 0.062 1
1 648 . 8 1 1 A 53 53 TYR C C 131 174.929 173.876 1.053 1
1 649 . 8 1 1 A 53 53 TYR CA C 131 58.452 56.998 1.454 1
1 650 . 8 1 1 A 53 53 TYR CB C 131 37.536 37.979 -0.443 1
1 655 . 8 1 1 A 53 53 TYR N N 131 121.518 125.067 -3.549 1
1 656 . 8 1 1 A 54 54 ASP H H 132 9.981 8.247 1.734 1
1 657 . 8 1 1 A 54 54 ASP HA H 132 4.652 5.258 -0.606 1
1 660 . 8 1 1 A 54 54 ASP CA C 132 49.843 51.310 -1.467 1
1 661 . 8 1 1 A 54 54 ASP CB C 132 42.737 41.423 1.314 1
1 662 . 8 1 1 A 54 54 ASP N N 132 132.995 127.999 4.996 1
1 663 . 8 1 1 A 55 55 PRO HA H 133 4.117 4.484 -0.367 1
1 670 . 8 1 1 A 55 55 PRO C C 133 178.353 177.907 0.446 1
1 671 . 8 1 1 A 55 55 PRO CA C 133 64.216 64.499 -0.283 1
1 672 . 8 1 1 A 55 55 PRO CB C 133 32.133 32.084 0.049 1
1 675 . 8 1 1 A 56 56 GLU H H 134 7.968 9.005 -1.037 1
1 676 . 8 1 1 A 56 56 GLU HA H 134 4.047 4.112 -0.065 1
1 681 . 8 1 1 A 56 56 GLU C C 134 177.001 178.343 -1.342 1
1 682 . 8 1 1 A 56 56 GLU CA C 134 57.984 58.739 -0.755 1
1 683 . 8 1 1 A 56 56 GLU CB C 134 29.667 28.479 1.188 1
1 685 . 8 1 1 A 56 56 GLU N N 134 116.491 115.929 0.562 1
1 686 . 8 1 1 A 57 57 LEU H H 135 7.137 7.601 -0.464 1
1 687 . 8 1 1 A 57 57 LEU HA H 135 4.186 4.238 -0.052 1
1 697 . 8 1 1 A 57 57 LEU C C 135 177.695 176.478 1.217 1
1 698 . 8 1 1 A 57 57 LEU CA C 135 55.372 55.925 -0.553 1
1 699 . 8 1 1 A 57 57 LEU CB C 135 43.889 43.670 0.219 1
1 703 . 8 1 1 A 57 57 LEU N N 135 118.254 118.276 -0.022 1
1 704 . 8 1 1 A 58 58 HIS H H 136 8.121 8.251 -0.130 1
1 705 . 8 1 1 A 58 58 HIS HA H 136 4.560 4.971 -0.411 1
1 709 . 8 1 1 A 58 58 HIS C C 136 176.135 175.051 1.084 1
1 710 . 8 1 1 A 58 58 HIS CA C 136 56.134 54.360 1.774 1
1 711 . 8 1 1 A 58 58 HIS CB C 136 31.534 32.291 -0.757 1
1 713 . 8 1 1 A 58 58 HIS N N 136 120.254 115.647 4.607 1
1 714 . 8 1 1 A 59 59 GLY H H 137 7.890 8.731 -0.841 1
1 715 . 8 1 1 A 59 59 GLY HA2 H 137 4.166 4.035 0.131 1
1 716 . 8 1 1 A 59 59 GLY HA3 H 137 3.990 4.046 -0.056 1
1 717 . 8 1 1 A 59 59 GLY C C 137 175.021 173.186 1.835 1
1 718 . 8 1 1 A 59 59 GLY CA C 137 45.431 44.399 1.032 1
1 719 . 8 1 1 A 59 59 GLY N N 137 108.183 110.002 -1.819 1
1 720 . 8 1 1 A 60 60 VAL H H 138 8.519 8.164 0.355 1
1 721 . 8 1 1 A 60 60 VAL HA H 138 4.503 4.117 0.386 1
1 729 . 8 1 1 A 60 60 VAL C C 138 176.419 174.691 1.728 1
1 730 . 8 1 1 A 60 60 VAL CA C 138 62.905 59.848 3.057 1
1 731 . 8 1 1 A 60 60 VAL CB C 138 32.421 35.270 -2.849 1
1 734 . 8 1 1 A 60 60 VAL N N 138 116.738 119.767 -3.029 1
1 735 . 8 1 1 A 61 61 ASP H H 139 8.525 8.164 0.361 1
1 736 . 8 1 1 A 61 61 ASP HA H 139 4.959 4.364 0.595 1
1 739 . 8 1 1 A 61 61 ASP C C 139 177.816 176.223 1.593 1
1 740 . 8 1 1 A 61 61 ASP CA C 139 54.278 55.326 -1.048 1
1 741 . 8 1 1 A 61 61 ASP CB C 139 40.771 40.806 -0.035 1
1 742 . 8 1 1 A 61 61 ASP N N 139 120.408 121.427 -1.019 1
1 743 . 8 1 1 A 62 62 TYR H H 140 7.553 7.661 -0.108 1
1 744 . 8 1 1 A 62 62 TYR HA H 140 4.611 4.630 -0.019 1
1 751 . 8 1 1 A 62 62 TYR C C 140 176.791 176.591 0.200 1
1 752 . 8 1 1 A 62 62 TYR CA C 140 59.811 58.475 1.336 1
1 753 . 8 1 1 A 62 62 TYR CB C 140 37.453 37.968 -0.515 1
1 758 . 8 1 1 A 62 62 TYR N N 140 118.187 117.230 0.957 1
1 759 . 8 1 1 A 63 63 VAL H H 141 7.645 8.057 -0.412 1
1 760 . 8 1 1 A 63 63 VAL HA H 141 3.861 4.275 -0.414 1
1 768 . 8 1 1 A 63 63 VAL C C 141 176.409 177.629 -1.220 1
1 769 . 8 1 1 A 63 63 VAL CA C 141 63.504 65.530 -2.026 1
1 770 . 8 1 1 A 63 63 VAL CB C 141 31.598 31.358 0.240 1
1 773 . 8 1 1 A 63 63 VAL N N 141 118.945 121.793 -2.848 1
1 774 . 8 1 1 A 64 64 SER H H 142 7.611 8.300 -0.689 1
1 775 . 8 1 1 A 64 64 SER HA H 142 4.234 4.381 -0.147 1
1 778 . 8 1 1 A 64 64 SER C C 142 175.035 174.882 0.153 1
1 779 . 8 1 1 A 64 64 SER CA C 142 60.628 61.700 -1.072 1
1 780 . 8 1 1 A 64 64 SER CB C 142 63.183 63.149 0.034 1
1 781 . 8 1 1 A 64 64 SER N N 142 113.661 117.231 -3.570 1
1 782 . 8 1 1 A 65 65 ASP H H 143 7.440 8.080 -0.640 1
1 783 . 8 1 1 A 65 65 ASP HA H 143 4.568 4.602 -0.034 1
1 786 . 8 1 1 A 65 65 ASP C C 143 175.376 175.957 -0.581 1
1 787 . 8 1 1 A 65 65 ASP CA C 143 55.077 54.117 0.960 1
1 788 . 8 1 1 A 65 65 ASP CB C 143 40.913 41.641 -0.728 1
1 789 . 8 1 1 A 65 65 ASP N N 143 118.332 117.452 0.880 1
1 790 . 8 1 1 A 66 66 PHE H H 144 8.115 7.670 0.445 1
1 791 . 8 1 1 A 66 66 PHE HA H 144 4.369 4.686 -0.317 1
1 798 . 8 1 1 A 66 66 PHE C C 144 174.524 174.924 -0.400 1
1 799 . 8 1 1 A 66 66 PHE CA C 144 57.705 58.061 -0.356 1
1 800 . 8 1 1 A 66 66 PHE CB C 144 41.033 40.383 0.650 1
1 805 . 8 1 1 A 66 66 PHE N N 144 120.277 119.491 0.786 1
1 806 . 8 1 1 A 67 67 LYS H H 145 8.688 8.603 0.085 1
1 807 . 8 1 1 A 67 67 LYS HA H 145 4.671 4.597 0.074 1
1 816 . 8 1 1 A 67 67 LYS C C 145 175.437 176.362 -0.925 1
1 817 . 8 1 1 A 67 67 LYS CA C 145 55.418 55.808 -0.390 1
1 818 . 8 1 1 A 67 67 LYS CB C 145 31.784 31.675 0.109 1
1 822 . 8 1 1 A 67 67 LYS N N 145 122.931 123.241 -0.310 1
1 823 . 8 1 1 A 68 68 LEU H H 146 9.642 8.578 1.064 1
1 824 . 8 1 1 A 68 68 LEU HA H 146 4.484 4.443 0.041 1
1 834 . 8 1 1 A 68 68 LEU C C 146 175.512 176.583 -1.071 1
1 835 . 8 1 1 A 68 68 LEU CA C 146 54.375 55.830 -1.455 1
1 836 . 8 1 1 A 68 68 LEU CB C 146 44.114 42.630 1.484 1
1 840 . 8 1 1 A 68 68 LEU N N 146 123.156 125.600 -2.444 1
1 841 . 8 1 1 A 69 69 ALA H H 147 7.586 7.540 0.046 1
1 842 . 8 1 1 A 69 69 ALA HA H 147 4.597 4.618 -0.021 1
1 846 . 8 1 1 A 69 69 ALA C C 147 173.720 176.714 -2.994 1
1 847 . 8 1 1 A 69 69 ALA CA C 147 49.637 50.608 -0.971 1
1 848 . 8 1 1 A 69 69 ALA CB C 147 22.691 21.464 1.227 1
1 849 . 8 1 1 A 69 69 ALA N N 147 117.486 117.466 0.020 1
1 850 . 8 1 1 A 70 70 PRO HA H 148 4.578 4.400 0.178 1
1 857 . 8 1 1 A 70 70 PRO C C 148 176.996 176.729 0.267 1
1 858 . 8 1 1 A 70 70 PRO CA C 148 64.435 64.935 -0.500 1
1 859 . 8 1 1 A 70 70 PRO CB C 148 31.448 32.151 -0.703 1
1 862 . 8 1 1 A 71 71 ASN H H 149 8.221 8.405 -0.184 1
1 863 . 8 1 1 A 71 71 ASN HA H 149 4.783 4.877 -0.094 1
1 868 . 8 1 1 A 71 71 ASN C C 149 173.865 174.013 -0.148 1
1 869 . 8 1 1 A 71 71 ASN CA C 149 52.308 52.277 0.031 1
1 870 . 8 1 1 A 71 71 ASN CB C 149 38.065 37.914 0.151 1
1 871 . 8 1 1 A 71 71 ASN N N 149 116.940 116.275 0.665 1
1 873 . 8 1 1 A 72 72 GLN H H 150 8.467 8.847 -0.380 1
1 874 . 8 1 1 A 72 72 GLN HA H 150 3.962 4.772 -0.810 1
1 881 . 8 1 1 A 72 72 GLN C C 150 174.832 175.942 -1.110 1
1 882 . 8 1 1 A 72 72 GLN CA C 150 57.793 55.644 2.149 1
1 883 . 8 1 1 A 72 72 GLN CB C 150 29.029 29.469 -0.440 1
1 885 . 8 1 1 A 72 72 GLN N N 150 123.793 123.637 0.156 1
1 887 . 8 1 1 A 73 73 THR H H 151 7.040 8.588 -1.548 1
1 888 . 8 1 1 A 73 73 THR HA H 151 4.668 4.984 -0.316 1
1 893 . 8 1 1 A 73 73 THR C C 151 175.175 175.368 -0.193 1
1 894 . 8 1 1 A 73 73 THR CA C 151 59.504 59.351 0.153 1
1 895 . 8 1 1 A 73 73 THR CB C 151 72.544 72.186 0.358 1
1 897 . 8 1 1 A 73 73 THR N N 151 115.239 117.954 -2.715 1
1 898 . 8 1 1 A 74 74 LYS H H 152 8.949 9.031 -0.082 1
1 899 . 8 1 1 A 74 74 LYS HA H 152 4.109 4.029 0.080 1
1 908 . 8 1 1 A 74 74 LYS C C 152 178.758 177.958 0.800 1
1 909 . 8 1 1 A 74 74 LYS CA C 152 58.521 60.379 -1.858 1
1 910 . 8 1 1 A 74 74 LYS CB C 152 31.372 32.097 -0.725 1
1 914 . 8 1 1 A 74 74 LYS N N 152 122.065 122.277 -0.212 1
1 915 . 8 1 1 A 75 75 GLU H H 153 8.762 7.921 0.841 1
1 916 . 8 1 1 A 75 75 GLU HA H 153 4.098 4.159 -0.061 1
1 921 . 8 1 1 A 75 75 GLU C C 153 179.947 179.143 0.804 1
1 922 . 8 1 1 A 75 75 GLU CA C 153 60.405 59.036 1.369 1
1 923 . 8 1 1 A 75 75 GLU CB C 153 28.999 29.346 -0.347 1
1 925 . 8 1 1 A 75 75 GLU N N 153 118.335 119.318 -0.983 1
1 926 . 8 1 1 A 76 76 LEU H H 154 7.726 7.805 -0.079 1
1 927 . 8 1 1 A 76 76 LEU HA H 154 4.061 3.967 0.094 1
1 937 . 8 1 1 A 76 76 LEU C C 154 178.292 178.679 -0.387 1
1 938 . 8 1 1 A 76 76 LEU CA C 154 58.188 57.867 0.321 1
1 939 . 8 1 1 A 76 76 LEU CB C 154 41.061 41.724 -0.663 1
1 943 . 8 1 1 A 76 76 LEU N N 154 121.434 121.962 -0.528 1
1 944 . 8 1 1 A 77 77 GLU H H 155 8.044 8.681 -0.637 1
1 945 . 8 1 1 A 77 77 GLU HA H 155 3.394 3.968 -0.574 1
1 950 . 8 1 1 A 77 77 GLU C C 155 178.363 179.421 -1.058 1
1 951 . 8 1 1 A 77 77 GLU CA C 155 60.409 59.947 0.462 1
1 952 . 8 1 1 A 77 77 GLU CB C 155 28.697 29.312 -0.615 1
1 954 . 8 1 1 A 77 77 GLU N N 155 118.172 118.872 -0.700 1
1 955 . 8 1 1 A 78 78 GLU H H 156 8.657 8.802 -0.145 1
1 956 . 8 1 1 A 78 78 GLU HA H 156 3.945 4.012 -0.067 1
1 961 . 8 1 1 A 78 78 GLU C C 156 179.197 178.979 0.218 1
1 962 . 8 1 1 A 78 78 GLU CA C 156 59.869 59.296 0.573 1
1 963 . 8 1 1 A 78 78 GLU CB C 156 29.466 29.159 0.307 1
1 965 . 8 1 1 A 78 78 GLU N N 156 117.944 119.846 -1.902 1
1 966 . 8 1 1 A 79 79 LYS H H 157 7.564 7.820 -0.256 1
1 967 . 8 1 1 A 79 79 LYS HA H 157 4.245 4.132 0.113 1
1 976 . 8 1 1 A 79 79 LYS C C 157 178.328 179.038 -0.710 1
1 977 . 8 1 1 A 79 79 LYS CA C 157 57.557 58.902 -1.345 1
1 978 . 8 1 1 A 79 79 LYS CB C 157 30.969 32.340 -1.371 1
1 982 . 8 1 1 A 79 79 LYS N N 157 121.118 121.063 0.055 1
1 983 . 8 1 1 A 80 80 VAL H H 158 8.412 7.790 0.622 1
1 984 . 8 1 1 A 80 80 VAL HA H 158 3.314 3.505 -0.191 1
1 992 . 8 1 1 A 80 80 VAL C C 158 177.623 178.092 -0.469 1
1 993 . 8 1 1 A 80 80 VAL CA C 158 67.250 66.299 0.951 1
1 994 . 8 1 1 A 80 80 VAL CB C 158 30.867 31.791 -0.924 1
1 997 . 8 1 1 A 80 80 VAL N N 158 119.270 119.261 0.009 1
1 998 . 8 1 1 A 81 81 MET H H 159 8.212 8.049 0.163 1
1 999 . 8 1 1 A 81 81 MET HA H 159 4.039 4.341 -0.302 1
1 1007 . 8 1 1 A 81 81 MET C C 159 177.305 178.359 -1.054 1
1 1008 . 8 1 1 A 81 81 MET CA C 159 59.998 59.235 0.763 1
1 1009 . 8 1 1 A 81 81 MET CB C 159 33.605 33.199 0.406 1
1 1012 . 8 1 1 A 81 81 MET N N 159 117.924 117.613 0.311 1
1 1013 . 8 1 1 A 82 82 GLU H H 160 7.780 8.534 -0.754 1
1 1014 . 8 1 1 A 82 82 GLU HA H 160 3.768 3.942 -0.174 1
1 1019 . 8 1 1 A 82 82 GLU C C 160 179.468 178.966 0.502 1
1 1020 . 8 1 1 A 82 82 GLU CA C 160 59.555 59.051 0.504 1
1 1021 . 8 1 1 A 82 82 GLU CB C 160 29.831 29.431 0.400 1
1 1023 . 8 1 1 A 82 82 GLU N N 160 119.282 120.438 -1.156 1
1 1024 . 8 1 1 A 83 83 LEU H H 161 7.748 8.040 -0.292 1
1 1025 . 8 1 1 A 83 83 LEU HA H 161 3.756 3.640 0.116 1
1 1035 . 8 1 1 A 83 83 LEU C C 161 179.113 178.859 0.254 1
1 1036 . 8 1 1 A 83 83 LEU CA C 161 57.246 57.516 -0.270 1
1 1037 . 8 1 1 A 83 83 LEU CB C 161 41.824 41.332 0.492 1
1 1041 . 8 1 1 A 83 83 LEU N N 161 118.542 120.191 -1.649 1
1 1042 . 8 1 1 A 84 84 HIS H H 162 8.842 8.022 0.820 1
1 1043 . 8 1 1 A 84 84 HIS HA H 162 3.986 4.160 -0.174 1
1 1047 . 8 1 1 A 84 84 HIS C C 162 178.286 176.924 1.362 1
1 1048 . 8 1 1 A 84 84 HIS CA C 162 58.407 60.356 -1.949 1
1 1049 . 8 1 1 A 84 84 HIS CB C 162 32.405 29.860 2.545 1
1 1051 . 8 1 1 A 84 84 HIS N N 162 120.325 118.393 1.932 1
1 1052 . 8 1 1 A 85 85 LYS H H 163 7.951 7.630 0.321 1
1 1053 . 8 1 1 A 85 85 LYS HA H 163 3.383 3.722 -0.339 1
1 1062 . 8 1 1 A 85 85 LYS C C 163 177.303 178.993 -1.690 1
1 1063 . 8 1 1 A 85 85 LYS CA C 163 59.730 58.819 0.911 1
1 1064 . 8 1 1 A 85 85 LYS CB C 163 32.489 31.018 1.471 1
1 1068 . 8 1 1 A 85 85 LYS N N 163 116.598 119.515 -2.917 1
1 1069 . 8 1 1 A 86 86 SER H H 164 7.334 7.860 -0.526 1
1 1070 . 8 1 1 A 86 86 SER HA H 164 4.442 4.201 0.241 1
1 1073 . 8 1 1 A 86 86 SER C C 164 175.296 174.265 1.031 1
1 1074 . 8 1 1 A 86 86 SER CA C 164 59.708 60.902 -1.194 1
1 1075 . 8 1 1 A 86 86 SER CB C 164 64.669 62.620 2.049 1
1 1076 . 8 1 1 A 86 86 SER N N 164 113.922 113.783 0.139 1
1 1077 . 8 1 1 A 87 87 TYR H H 165 7.321 7.225 0.096 1
1 1078 . 8 1 1 A 87 87 TYR HA H 165 5.037 5.064 -0.027 1
1 1085 . 8 1 1 A 87 87 TYR C C 165 175.143 175.666 -0.523 1
1 1086 . 8 1 1 A 87 87 TYR CA C 165 54.570 57.741 -3.171 1
1 1087 . 8 1 1 A 87 87 TYR CB C 165 36.575 40.041 -3.466 1
1 1092 . 8 1 1 A 87 87 TYR N N 165 123.163 121.727 1.436 1
1 1093 . 8 1 1 A 88 88 ARG H H 166 7.263 8.890 -1.627 1
1 1094 . 8 1 1 A 88 88 ARG HA H 166 4.264 4.801 -0.537 1
1 1102 . 8 1 1 A 88 88 ARG C C 166 177.455 175.974 1.481 1
1 1103 . 8 1 1 A 88 88 ARG CA C 166 58.086 54.657 3.429 1
1 1104 . 8 1 1 A 88 88 ARG CB C 166 30.702 33.151 -2.449 1
1 1107 . 8 1 1 A 88 88 ARG N N 166 119.334 122.922 -3.588 1
1 1108 . 8 1 1 A 89 89 SER H H 167 10.206 8.560 1.646 1
1 1109 . 8 1 1 A 89 89 SER HA H 167 4.265 4.124 0.141 1
1 1112 . 8 1 1 A 89 89 SER C C 167 174.371 172.631 1.740 1
1 1113 . 8 1 1 A 89 89 SER CA C 167 60.818 59.551 1.267 1
1 1114 . 8 1 1 A 89 89 SER CB C 167 62.576 61.263 1.313 1
1 1115 . 8 1 1 A 89 89 SER N N 167 121.486 115.988 5.498 1
1 1116 . 8 1 1 A 90 90 MET H H 168 8.409 7.821 0.588 1
1 1117 . 8 1 1 A 90 90 MET HA H 168 4.531 5.128 -0.597 1
1 1125 . 8 1 1 A 90 90 MET C C 168 177.396 175.734 1.662 1
1 1126 . 8 1 1 A 90 90 MET CA C 168 56.283 54.174 2.109 1
1 1127 . 8 1 1 A 90 90 MET CB C 168 35.048 35.524 -0.476 1
1 1130 . 8 1 1 A 90 90 MET N N 168 124.849 118.673 6.176 1
1 1131 . 8 1 1 A 91 91 THR H H 169 8.981 9.053 -0.072 1
1 1132 . 8 1 1 A 91 91 THR HA H 169 4.589 5.129 -0.540 1
1 1137 . 8 1 1 A 91 91 THR C C 169 173.532 175.037 -1.505 1
1 1138 . 8 1 1 A 91 91 THR CA C 169 61.052 59.578 1.474 1
1 1139 . 8 1 1 A 91 91 THR CB C 169 68.249 69.182 -0.933 1
1 1141 . 8 1 1 A 91 91 THR N N 169 122.910 114.092 8.818 1
1 1142 . 8 1 1 A 92 92 PRO HA H 170 4.151 4.212 -0.061 1
1 1147 . 8 1 1 A 92 92 PRO C C 170 177.481 178.522 -1.041 1
1 1148 . 8 1 1 A 92 92 PRO CA C 170 66.599 65.891 0.708 1
1 1149 . 8 1 1 A 92 92 PRO CB C 170 31.740 31.621 0.119 1
1 1151 . 8 1 1 A 93 93 ALA H H 171 7.833 8.385 -0.552 1
1 1152 . 8 1 1 A 93 93 ALA HA H 171 4.135 3.974 0.161 1
1 1156 . 8 1 1 A 93 93 ALA C C 171 180.982 180.567 0.415 1
1 1157 . 8 1 1 A 93 93 ALA CA C 171 54.982 55.416 -0.434 1
1 1158 . 8 1 1 A 93 93 ALA CB C 171 18.373 18.508 -0.135 1
1 1159 . 8 1 1 A 93 93 ALA N N 171 115.945 118.287 -2.342 1
1 1160 . 8 1 1 A 94 94 GLN H H 172 7.868 8.157 -0.289 1
1 1161 . 8 1 1 A 94 94 GLN HA H 172 3.911 3.977 -0.066 1
1 1168 . 8 1 1 A 94 94 GLN C C 172 178.279 178.545 -0.266 1
1 1169 . 8 1 1 A 94 94 GLN CA C 172 58.547 58.666 -0.119 1
1 1170 . 8 1 1 A 94 94 GLN CB C 172 28.318 28.335 -0.017 1
1 1172 . 8 1 1 A 94 94 GLN N N 172 118.910 117.791 1.119 1
1 1174 . 8 1 1 A 95 95 ALA H H 173 8.459 7.771 0.688 1
1 1175 . 8 1 1 A 95 95 ALA HA H 173 4.066 4.275 -0.209 1
1 1179 . 8 1 1 A 95 95 ALA C C 173 179.362 179.660 -0.298 1
1 1180 . 8 1 1 A 95 95 ALA CA C 173 55.413 55.165 0.248 1
1 1181 . 8 1 1 A 95 95 ALA CB C 173 17.730 18.066 -0.336 1
1 1182 . 8 1 1 A 95 95 ALA N N 173 123.672 122.484 1.188 1
1 1183 . 8 1 1 A 96 96 ASP H H 174 8.541 8.337 0.204 1
1 1184 . 8 1 1 A 96 96 ASP HA H 174 4.317 4.365 -0.048 1
1 1187 . 8 1 1 A 96 96 ASP C C 174 178.340 178.517 -0.177 1
1 1188 . 8 1 1 A 96 96 ASP CA C 174 57.230 57.357 -0.127 1
1 1189 . 8 1 1 A 96 96 ASP CB C 174 40.024 40.327 -0.303 1
1 1190 . 8 1 1 A 96 96 ASP N N 174 119.397 119.657 -0.260 1
1 1191 . 8 1 1 A 97 97 LEU H H 175 7.798 8.200 -0.402 1
1 1192 . 8 1 1 A 97 97 LEU HA H 175 3.968 4.121 -0.153 1
1 1202 . 8 1 1 A 97 97 LEU C C 175 179.822 178.570 1.252 1
1 1203 . 8 1 1 A 97 97 LEU CA C 175 58.737 57.193 1.544 1
1 1204 . 8 1 1 A 97 97 LEU CB C 175 41.661 41.556 0.105 1
1 1208 . 8 1 1 A 97 97 LEU N N 175 120.724 120.055 0.669 1
1 1209 . 8 1 1 A 98 98 GLU H H 176 8.172 8.314 -0.142 1
1 1210 . 8 1 1 A 98 98 GLU HA H 176 3.885 3.737 0.148 1
1 1215 . 8 1 1 A 98 98 GLU C C 176 180.447 178.974 1.473 1
1 1216 . 8 1 1 A 98 98 GLU CA C 176 58.870 59.509 -0.639 1
1 1217 . 8 1 1 A 98 98 GLU CB C 176 27.413 28.622 -1.209 1
1 1219 . 8 1 1 A 98 98 GLU N N 176 119.724 119.479 0.245 1
1 1220 . 8 1 1 A 99 99 PHE H H 177 8.542 7.683 0.859 1
1 1221 . 8 1 1 A 99 99 PHE HA H 177 3.819 4.119 -0.300 1
1 1229 . 8 1 1 A 99 99 PHE C C 177 176.805 177.167 -0.362 1
1 1230 . 8 1 1 A 99 99 PHE CA C 177 62.277 61.341 0.936 1
1 1231 . 8 1 1 A 99 99 PHE CB C 177 38.948 39.044 -0.096 1
1 1237 . 8 1 1 A 99 99 PHE N N 177 123.837 121.413 2.424 1
1 1238 . 8 1 1 A 100 100 LEU H H 178 8.532 8.444 0.088 1
1 1239 . 8 1 1 A 100 100 LEU HA H 178 4.028 4.088 -0.060 1
1 1249 . 8 1 1 A 100 100 LEU C C 178 179.884 179.398 0.486 1
1 1250 . 8 1 1 A 100 100 LEU CA C 178 58.046 58.070 -0.024 1
1 1251 . 8 1 1 A 100 100 LEU CB C 178 41.419 41.337 0.082 1
1 1255 . 8 1 1 A 100 100 LEU N N 178 119.496 119.131 0.365 1
1 1256 . 8 1 1 A 101 101 GLU H H 179 8.769 8.522 0.247 1
1 1257 . 8 1 1 A 101 101 GLU HA H 179 4.043 3.977 0.066 1
1 1262 . 8 1 1 A 101 101 GLU C C 179 179.881 178.978 0.903 1
1 1263 . 8 1 1 A 101 101 GLU CA C 179 59.465 59.246 0.219 1
1 1264 . 8 1 1 A 101 101 GLU CB C 179 29.478 29.197 0.281 1
1 1266 . 8 1 1 A 101 101 GLU N N 179 120.825 120.060 0.765 1
1 1267 . 8 1 1 A 102 102 ASN H H 180 7.865 7.770 0.095 1
1 1268 . 8 1 1 A 102 102 ASN HA H 180 4.329 4.377 -0.048 1
1 1273 . 8 1 1 A 102 102 ASN C C 180 176.692 177.507 -0.815 1
1 1274 . 8 1 1 A 102 102 ASN CA C 180 57.537 55.744 1.793 1
1 1275 . 8 1 1 A 102 102 ASN CB C 180 40.085 38.298 1.787 1
1 1276 . 8 1 1 A 102 102 ASN N N 180 116.591 117.638 -1.047 1
1 1278 . 8 1 1 A 103 103 ALA H H 181 8.744 8.262 0.482 1
1 1279 . 8 1 1 A 103 103 ALA HA H 181 4.130 3.806 0.324 1
1 1283 . 8 1 1 A 103 103 ALA C C 181 179.546 179.504 0.042 1
1 1284 . 8 1 1 A 103 103 ALA CA C 181 55.148 54.814 0.334 1
1 1285 . 8 1 1 A 103 103 ALA CB C 181 18.154 18.201 -0.047 1
1 1286 . 8 1 1 A 103 103 ALA N N 181 122.431 122.275 0.156 1
1 1287 . 8 1 1 A 104 104 LYS H H 182 8.493 8.023 0.470 1
1 1288 . 8 1 1 A 104 104 LYS HA H 182 3.786 4.280 -0.494 1
1 1297 . 8 1 1 A 104 104 LYS C C 182 180.012 179.291 0.721 1
1 1298 . 8 1 1 A 104 104 LYS CA C 182 58.547 59.678 -1.131 1
1 1299 . 8 1 1 A 104 104 LYS CB C 182 31.194 32.307 -1.113 1
1 1303 . 8 1 1 A 104 104 LYS N N 182 119.195 118.112 1.083 1
1 1304 . 8 1 1 A 105 105 LYS H H 183 7.661 7.510 0.151 1
1 1305 . 8 1 1 A 105 105 LYS HA H 183 4.111 4.122 -0.011 1
1 1314 . 8 1 1 A 105 105 LYS C C 183 178.010 177.709 0.301 1
1 1315 . 8 1 1 A 105 105 LYS CA C 183 58.823 58.499 0.324 1
1 1316 . 8 1 1 A 105 105 LYS CB C 183 32.287 32.450 -0.163 1
1 1320 . 8 1 1 A 105 105 LYS N N 183 120.301 119.108 1.193 1
1 1321 . 8 1 1 A 106 106 LEU H H 184 7.403 7.378 0.025 1
1 1322 . 8 1 1 A 106 106 LEU HA H 184 4.385 4.402 -0.017 1
1 1331 . 8 1 1 A 106 106 LEU C C 184 176.332 176.233 0.099 1
1 1332 . 8 1 1 A 106 106 LEU CA C 184 54.857 54.431 0.426 1
1 1333 . 8 1 1 A 106 106 LEU CB C 184 42.054 42.462 -0.408 1
1 1336 . 8 1 1 A 106 106 LEU N N 184 118.606 118.791 -0.185 1
1 1337 . 8 1 1 A 107 107 SER H H 185 8.123 7.991 0.132 1
1 1338 . 8 1 1 A 107 107 SER HA H 185 4.202 4.372 -0.170 1
1 1341 . 8 1 1 A 107 107 SER C C 185 174.826 174.209 0.617 1
1 1342 . 8 1 1 A 107 107 SER CA C 185 58.894 59.327 -0.433 1
1 1343 . 8 1 1 A 107 107 SER CB C 185 61.684 61.431 0.253 1
1 1344 . 8 1 1 A 107 107 SER N N 185 113.023 113.205 -0.182 1
1 1345 . 8 1 1 A 108 108 MET H H 186 8.212 7.825 0.387 1
1 1346 . 8 1 1 A 108 108 MET HA H 186 4.188 4.147 0.041 1
1 1354 . 8 1 1 A 108 108 MET C C 186 174.495 176.909 -2.414 1
1 1355 . 8 1 1 A 108 108 MET CA C 186 57.328 57.699 -0.371 1
1 1356 . 8 1 1 A 108 108 MET CB C 186 33.414 31.307 2.107 1
1 1359 . 8 1 1 A 108 108 MET N N 186 117.267 117.624 -0.357 1
1 4 . 9 1 1 A 2 2 SER HA H 80 4.477 5.043 -0.566 1
1 7 . 9 1 1 A 2 2 SER CA C 80 58.344 58.042 0.302 1
1 8 . 9 1 1 A 2 2 SER CB C 80 64.002 63.831 0.171 1
1 9 . 9 1 1 A 3 3 HIS HA H 81 4.614 5.175 -0.561 1
1 13 . 9 1 1 A 3 3 HIS C C 81 174.681 173.648 1.033 1
1 14 . 9 1 1 A 3 3 HIS CA C 81 56.231 55.351 0.880 1
1 15 . 9 1 1 A 3 3 HIS CB C 81 29.839 32.066 -2.227 1
1 17 . 9 1 1 A 4 4 MET H H 82 8.285 8.146 0.139 1
1 18 . 9 1 1 A 4 4 MET HA H 82 4.416 4.941 -0.525 1
1 26 . 9 1 1 A 4 4 MET C C 82 175.286 174.438 0.848 1
1 27 . 9 1 1 A 4 4 MET CA C 82 55.165 53.720 1.445 1
1 28 . 9 1 1 A 4 4 MET CB C 82 32.988 35.807 -2.819 1
1 31 . 9 1 1 A 4 4 MET N N 82 121.559 122.795 -1.236 1
1 32 . 9 1 1 A 5 5 ASP H H 83 8.362 8.711 -0.349 1
1 33 . 9 1 1 A 5 5 ASP HA H 83 4.844 4.704 0.140 1
1 36 . 9 1 1 A 5 5 ASP C C 83 175.239 176.001 -0.762 1
1 37 . 9 1 1 A 5 5 ASP CA C 83 52.238 52.918 -0.680 1
1 38 . 9 1 1 A 5 5 ASP CB C 83 41.471 40.018 1.453 1
1 39 . 9 1 1 A 5 5 ASP N N 83 124.060 120.250 3.810 1
1 40 . 9 1 1 A 6 6 PRO HA H 84 4.327 4.496 -0.169 1
1 47 . 9 1 1 A 6 6 PRO C C 84 177.388 177.688 -0.300 1
1 48 . 9 1 1 A 6 6 PRO CA C 84 64.084 64.306 -0.222 1
1 49 . 9 1 1 A 6 6 PRO CB C 84 32.022 31.893 0.129 1
1 52 . 9 1 1 A 7 7 ALA H H 85 8.406 7.546 0.860 1
1 53 . 9 1 1 A 7 7 ALA HA H 85 4.239 4.412 -0.173 1
1 57 . 9 1 1 A 7 7 ALA C C 85 178.462 177.651 0.811 1
1 58 . 9 1 1 A 7 7 ALA CA C 85 53.223 54.597 -1.374 1
1 59 . 9 1 1 A 7 7 ALA CB C 85 18.801 20.258 -1.457 1
1 60 . 9 1 1 A 7 7 ALA N N 85 121.868 118.416 3.452 1
1 61 . 9 1 1 A 8 8 GLN H H 86 7.985 7.880 0.105 1
1 62 . 9 1 1 A 8 8 GLN HA H 86 4.264 4.023 0.241 1
1 69 . 9 1 1 A 8 8 GLN C C 86 176.124 175.831 0.293 1
1 70 . 9 1 1 A 8 8 GLN CA C 86 56.101 56.865 -0.764 1
1 71 . 9 1 1 A 8 8 GLN CB C 86 29.456 26.068 3.388 1
1 73 . 9 1 1 A 8 8 GLN N N 86 117.727 113.013 4.714 1
1 75 . 9 1 1 A 9 9 LEU H H 87 8.102 7.976 0.126 1
1 76 . 9 1 1 A 9 9 LEU HA H 87 4.394 3.997 0.397 1
1 86 . 9 1 1 A 9 9 LEU C C 87 177.923 178.404 -0.481 1
1 87 . 9 1 1 A 9 9 LEU CA C 87 55.454 57.639 -2.185 1
1 88 . 9 1 1 A 9 9 LEU CB C 87 42.188 41.578 0.610 1
1 92 . 9 1 1 A 9 9 LEU N N 87 122.045 118.075 3.970 1
1 93 . 9 1 1 A 10 10 THR H H 88 7.902 8.308 -0.406 1
1 94 . 9 1 1 A 10 10 THR HA H 88 4.258 3.961 0.297 1
1 99 . 9 1 1 A 10 10 THR C C 88 175.742 176.586 -0.844 1
1 100 . 9 1 1 A 10 10 THR CA C 88 62.974 65.667 -2.693 1
1 101 . 9 1 1 A 10 10 THR CB C 88 69.759 68.185 1.574 1
1 103 . 9 1 1 A 10 10 THR N N 88 113.859 112.455 1.404 1
1 104 . 9 1 1 A 11 11 GLU H H 89 8.594 8.363 0.231 1
1 105 . 9 1 1 A 11 11 GLU HA H 89 4.213 3.945 0.268 1
1 110 . 9 1 1 A 11 11 GLU C C 89 177.577 178.146 -0.569 1
1 111 . 9 1 1 A 11 11 GLU CA C 89 58.496 59.309 -0.813 1
1 112 . 9 1 1 A 11 11 GLU CB C 89 29.751 29.560 0.191 1
1 114 . 9 1 1 A 11 11 GLU N N 89 122.144 122.299 -0.155 1
1 115 . 9 1 1 A 12 12 ASP H H 90 8.244 7.926 0.318 1
1 116 . 9 1 1 A 12 12 ASP HA H 90 4.419 4.428 -0.009 1
1 119 . 9 1 1 A 12 12 ASP C C 90 178.623 178.559 0.064 1
1 120 . 9 1 1 A 12 12 ASP CA C 90 56.589 57.329 -0.740 1
1 121 . 9 1 1 A 12 12 ASP CB C 90 40.332 41.016 -0.684 1
1 122 . 9 1 1 A 12 12 ASP N N 90 119.922 120.104 -0.182 1
1 123 . 9 1 1 A 13 13 ILE H H 91 8.092 8.177 -0.085 1
1 124 . 9 1 1 A 13 13 ILE HA H 91 3.987 3.716 0.271 1
1 134 . 9 1 1 A 13 13 ILE C C 91 177.124 178.360 -1.236 1
1 135 . 9 1 1 A 13 13 ILE CA C 91 63.562 65.178 -1.616 1
1 136 . 9 1 1 A 13 13 ILE CB C 91 37.830 37.640 0.190 1
1 140 . 9 1 1 A 13 13 ILE N N 91 122.909 119.366 3.543 1
1 141 . 9 1 1 A 14 14 THR H H 92 8.045 8.849 -0.804 1
1 142 . 9 1 1 A 14 14 THR HA H 92 4.040 3.866 0.174 1
1 147 . 9 1 1 A 14 14 THR C C 92 177.358 177.069 0.289 1
1 148 . 9 1 1 A 14 14 THR CA C 92 66.244 65.488 0.756 1
1 149 . 9 1 1 A 14 14 THR CB C 92 68.629 68.993 -0.364 1
1 151 . 9 1 1 A 14 14 THR N N 92 116.529 114.519 2.010 1
1 152 . 9 1 1 A 15 15 ARG H H 93 7.984 8.041 -0.057 1
1 153 . 9 1 1 A 15 15 ARG HA H 93 3.974 3.989 -0.015 1
1 161 . 9 1 1 A 15 15 ARG C C 93 177.719 178.050 -0.331 1
1 162 . 9 1 1 A 15 15 ARG CA C 93 60.312 59.627 0.685 1
1 163 . 9 1 1 A 15 15 ARG CB C 93 30.591 29.729 0.862 1
1 166 . 9 1 1 A 15 15 ARG N N 93 121.521 121.117 0.404 1
1 167 . 9 1 1 A 16 16 TYR H H 94 7.948 7.948 0.000 1
1 168 . 9 1 1 A 16 16 TYR HA H 94 4.045 4.337 -0.292 1
1 175 . 9 1 1 A 16 16 TYR C C 94 177.690 177.263 0.427 1
1 176 . 9 1 1 A 16 16 TYR CA C 94 61.568 61.528 0.040 1
1 177 . 9 1 1 A 16 16 TYR CB C 94 37.543 38.809 -1.266 1
1 182 . 9 1 1 A 16 16 TYR N N 94 120.911 120.523 0.388 1
1 183 . 9 1 1 A 17 17 TYR H H 95 8.143 8.289 -0.146 1
1 184 . 9 1 1 A 17 17 TYR HA H 95 4.049 4.131 -0.082 1
1 191 . 9 1 1 A 17 17 TYR C C 95 179.000 178.381 0.619 1
1 192 . 9 1 1 A 17 17 TYR CA C 95 61.454 61.263 0.191 1
1 193 . 9 1 1 A 17 17 TYR CB C 95 37.483 37.521 -0.038 1
1 198 . 9 1 1 A 17 17 TYR N N 95 117.066 117.807 -0.741 1
1 199 . 9 1 1 A 18 18 LEU H H 96 7.976 8.541 -0.565 1
1 200 . 9 1 1 A 18 18 LEU HA H 96 4.203 4.200 0.003 1
1 210 . 9 1 1 A 18 18 LEU C C 96 178.998 178.416 0.582 1
1 211 . 9 1 1 A 18 18 LEU CA C 96 58.097 58.111 -0.014 1
1 212 . 9 1 1 A 18 18 LEU CB C 96 41.814 42.013 -0.199 1
1 216 . 9 1 1 A 18 18 LEU N N 96 123.012 121.367 1.645 1
1 217 . 9 1 1 A 19 19 CYS H H 97 8.163 8.521 -0.358 1
1 218 . 9 1 1 A 19 19 CYS HA H 97 3.783 4.018 -0.235 1
1 221 . 9 1 1 A 19 19 CYS C C 97 176.663 177.437 -0.774 1
1 222 . 9 1 1 A 19 19 CYS CA C 97 64.973 63.283 1.690 1
1 223 . 9 1 1 A 19 19 CYS CB C 97 25.966 27.225 -1.259 1
1 224 . 9 1 1 A 19 19 CYS N N 97 117.202 117.144 0.058 1
1 225 . 9 1 1 A 20 20 LEU H H 98 7.863 7.975 -0.112 1
1 226 . 9 1 1 A 20 20 LEU HA H 98 3.681 3.773 -0.092 1
1 236 . 9 1 1 A 20 20 LEU C C 98 179.392 179.091 0.301 1
1 237 . 9 1 1 A 20 20 LEU CA C 98 58.319 58.038 0.281 1
1 238 . 9 1 1 A 20 20 LEU CB C 98 41.944 41.088 0.856 1
1 242 . 9 1 1 A 20 20 LEU N N 98 118.833 121.062 -2.229 1
1 243 . 9 1 1 A 21 21 GLN H H 99 7.658 8.262 -0.604 1
1 244 . 9 1 1 A 21 21 GLN HA H 99 3.909 3.998 -0.089 1
1 251 . 9 1 1 A 21 21 GLN C C 99 178.326 178.222 0.104 1
1 252 . 9 1 1 A 21 21 GLN CA C 99 58.704 58.386 0.318 1
1 253 . 9 1 1 A 21 21 GLN CB C 99 28.630 27.862 0.768 1
1 255 . 9 1 1 A 21 21 GLN N N 99 118.958 117.822 1.136 1
1 257 . 9 1 1 A 22 22 LEU H H 100 8.214 8.300 -0.086 1
1 258 . 9 1 1 A 22 22 LEU HA H 100 4.150 4.078 0.072 1
1 268 . 9 1 1 A 22 22 LEU C C 100 179.438 179.008 0.430 1
1 269 . 9 1 1 A 22 22 LEU CA C 100 58.320 57.836 0.484 1
1 270 . 9 1 1 A 22 22 LEU CB C 100 42.816 41.351 1.465 1
1 274 . 9 1 1 A 22 22 LEU N N 100 119.829 120.962 -1.133 1
1 275 . 9 1 1 A 23 23 ARG H H 101 8.722 8.271 0.451 1
1 276 . 9 1 1 A 23 23 ARG HA H 101 3.946 4.018 -0.072 1
1 284 . 9 1 1 A 23 23 ARG C C 101 179.448 178.990 0.458 1
1 285 . 9 1 1 A 23 23 ARG CA C 101 60.910 59.589 1.321 1
1 286 . 9 1 1 A 23 23 ARG CB C 101 29.853 29.787 0.066 1
1 288 . 9 1 1 A 23 23 ARG N N 101 117.690 119.415 -1.725 1
1 289 . 9 1 1 A 24 24 GLN H H 102 7.804 8.110 -0.306 1
1 290 . 9 1 1 A 24 24 GLN HA H 102 4.015 4.054 -0.039 1
1 297 . 9 1 1 A 24 24 GLN C C 102 178.951 177.910 1.041 1
1 298 . 9 1 1 A 24 24 GLN CA C 102 58.785 58.914 -0.129 1
1 299 . 9 1 1 A 24 24 GLN CB C 102 28.263 28.040 0.223 1
1 301 . 9 1 1 A 24 24 GLN N N 102 117.686 117.741 -0.055 1
1 303 . 9 1 1 A 25 25 ASP H H 103 8.393 7.797 0.596 1
1 304 . 9 1 1 A 25 25 ASP HA H 103 4.414 4.455 -0.041 1
1 307 . 9 1 1 A 25 25 ASP C C 103 179.476 178.802 0.674 1
1 308 . 9 1 1 A 25 25 ASP CA C 103 57.753 57.359 0.394 1
1 309 . 9 1 1 A 25 25 ASP CB C 103 40.432 41.220 -0.788 1
1 310 . 9 1 1 A 25 25 ASP N N 103 122.118 119.982 2.136 1
1 311 . 9 1 1 A 26 26 ILE H H 104 8.737 7.741 0.996 1
1 312 . 9 1 1 A 26 26 ILE HA H 104 3.761 3.635 0.126 1
1 320 . 9 1 1 A 26 26 ILE C C 104 180.320 178.067 2.253 1
1 321 . 9 1 1 A 26 26 ILE CA C 104 65.902 65.226 0.676 1
1 322 . 9 1 1 A 26 26 ILE CB C 104 38.826 37.846 0.980 1
1 325 . 9 1 1 A 26 26 ILE N N 104 122.668 120.307 2.361 1
1 326 . 9 1 1 A 27 27 VAL H H 105 7.923 7.724 0.199 1
1 327 . 9 1 1 A 27 27 VAL HA H 105 3.077 3.880 -0.803 1
1 335 . 9 1 1 A 27 27 VAL C C 105 176.073 177.881 -1.808 1
1 336 . 9 1 1 A 27 27 VAL CA C 105 67.080 64.723 2.357 1
1 337 . 9 1 1 A 27 27 VAL CB C 105 31.450 31.543 -0.093 1
1 340 . 9 1 1 A 27 27 VAL N N 105 121.194 116.679 4.515 1
1 341 . 9 1 1 A 28 28 ALA H H 106 7.892 7.162 0.730 1
1 342 . 9 1 1 A 28 28 ALA HA H 106 4.286 4.295 -0.009 1
1 346 . 9 1 1 A 28 28 ALA C C 106 178.366 177.743 0.623 1
1 347 . 9 1 1 A 28 28 ALA CA C 106 52.572 51.978 0.594 1
1 348 . 9 1 1 A 28 28 ALA CB C 106 19.616 19.390 0.226 1
1 349 . 9 1 1 A 28 28 ALA N N 106 117.103 121.779 -4.676 1
1 350 . 9 1 1 A 29 29 GLY H H 107 7.670 8.133 -0.463 1
1 351 . 9 1 1 A 29 29 GLY HA2 H 107 4.181 3.923 0.258 1
1 352 . 9 1 1 A 29 29 GLY HA3 H 107 3.924 3.923 0.001 1
1 353 . 9 1 1 A 29 29 GLY C C 107 174.596 175.138 -0.542 1
1 354 . 9 1 1 A 29 29 GLY CA C 107 45.157 46.462 -1.305 1
1 355 . 9 1 1 A 29 29 GLY N N 107 105.038 107.070 -2.032 1
1 356 . 9 1 1 A 30 30 ARG H H 108 7.972 8.162 -0.190 1
1 357 . 9 1 1 A 30 30 ARG HA H 108 4.185 4.334 -0.149 1
1 365 . 9 1 1 A 30 30 ARG C C 108 175.874 175.494 0.380 1
1 366 . 9 1 1 A 30 30 ARG CA C 108 57.987 56.112 1.875 1
1 367 . 9 1 1 A 30 30 ARG CB C 108 31.218 31.129 0.089 1
1 370 . 9 1 1 A 30 30 ARG N N 108 118.333 118.244 0.089 1
1 371 . 9 1 1 A 31 31 LEU H H 109 6.696 7.427 -0.731 1
1 372 . 9 1 1 A 31 31 LEU HA H 109 4.939 4.756 0.183 1
1 382 . 9 1 1 A 31 31 LEU C C 109 173.324 174.642 -1.318 1
1 383 . 9 1 1 A 31 31 LEU CA C 109 50.930 51.157 -0.227 1
1 384 . 9 1 1 A 31 31 LEU CB C 109 43.480 45.798 -2.318 1
1 388 . 9 1 1 A 31 31 LEU N N 109 118.681 119.119 -0.438 1
1 389 . 9 1 1 A 32 32 PRO HA H 110 4.411 4.893 -0.482 1
1 396 . 9 1 1 A 32 32 PRO C C 110 176.694 176.102 0.592 1
1 397 . 9 1 1 A 32 32 PRO CA C 110 63.123 62.606 0.517 1
1 398 . 9 1 1 A 32 32 PRO CB C 110 32.022 31.694 0.328 1
1 401 . 9 1 1 A 33 33 CYS H H 111 8.273 8.559 -0.286 1
1 402 . 9 1 1 A 33 33 CYS HA H 111 4.834 5.079 -0.245 1
1 405 . 9 1 1 A 33 33 CYS C C 111 173.523 173.226 0.297 1
1 406 . 9 1 1 A 33 33 CYS CA C 111 57.890 58.016 -0.126 1
1 407 . 9 1 1 A 33 33 CYS CB C 111 32.282 33.220 -0.938 1
1 408 . 9 1 1 A 33 33 CYS N N 111 119.113 122.912 -3.799 1
1 409 . 9 1 1 A 34 34 SER H H 112 8.738 8.873 -0.135 1
1 410 . 9 1 1 A 34 34 SER HA H 112 4.527 4.789 -0.262 1
1 413 . 9 1 1 A 34 34 SER C C 112 173.709 175.739 -2.030 1
1 414 . 9 1 1 A 34 34 SER CA C 112 57.256 57.138 0.118 1
1 415 . 9 1 1 A 34 34 SER CB C 112 65.433 65.432 0.001 1
1 416 . 9 1 1 A 34 34 SER N N 112 118.212 117.579 0.633 1
1 417 . 9 1 1 A 35 35 PHE H H 113 9.027 9.259 -0.232 1
1 418 . 9 1 1 A 35 35 PHE HA H 113 4.047 4.048 -0.001 1
1 426 . 9 1 1 A 35 35 PHE C C 113 176.433 177.175 -0.742 1
1 427 . 9 1 1 A 35 35 PHE CA C 113 62.623 62.709 -0.086 1
1 428 . 9 1 1 A 35 35 PHE CB C 113 39.128 39.731 -0.603 1
1 434 . 9 1 1 A 35 35 PHE N N 113 122.209 124.096 -1.887 1
1 435 . 9 1 1 A 36 36 ALA H H 114 8.631 8.365 0.266 1
1 436 . 9 1 1 A 36 36 ALA HA H 114 3.926 3.943 -0.017 1
1 440 . 9 1 1 A 36 36 ALA C C 114 181.064 179.795 1.269 1
1 441 . 9 1 1 A 36 36 ALA CA C 114 55.300 55.038 0.262 1
1 442 . 9 1 1 A 36 36 ALA CB C 114 18.423 18.195 0.228 1
1 443 . 9 1 1 A 36 36 ALA N N 114 118.977 121.090 -2.113 1
1 444 . 9 1 1 A 37 37 THR H H 115 7.886 7.848 0.038 1
1 445 . 9 1 1 A 37 37 THR HA H 115 3.859 3.932 -0.073 1
1 450 . 9 1 1 A 37 37 THR C C 115 175.630 176.669 -1.039 1
1 451 . 9 1 1 A 37 37 THR CA C 115 66.294 66.654 -0.360 1
1 452 . 9 1 1 A 37 37 THR CB C 115 68.298 68.035 0.263 1
1 454 . 9 1 1 A 37 37 THR N N 115 117.602 114.865 2.737 1
1 455 . 9 1 1 A 38 38 LEU H H 116 8.740 8.142 0.598 1
1 456 . 9 1 1 A 38 38 LEU HA H 116 3.904 3.895 0.009 1
1 466 . 9 1 1 A 38 38 LEU C C 116 180.666 179.099 1.567 1
1 467 . 9 1 1 A 38 38 LEU CA C 116 58.166 57.954 0.212 1
1 468 . 9 1 1 A 38 38 LEU CB C 116 43.034 41.345 1.689 1
1 472 . 9 1 1 A 38 38 LEU N N 116 122.945 121.392 1.553 1
1 473 . 9 1 1 A 39 39 ALA H H 117 8.151 8.218 -0.067 1
1 474 . 9 1 1 A 39 39 ALA HA H 117 3.776 3.850 -0.074 1
1 478 . 9 1 1 A 39 39 ALA C C 117 178.461 179.785 -1.324 1
1 479 . 9 1 1 A 39 39 ALA CA C 117 53.839 54.907 -1.068 1
1 480 . 9 1 1 A 39 39 ALA CB C 117 17.406 17.930 -0.524 1
1 481 . 9 1 1 A 39 39 ALA N N 117 120.752 121.432 -0.680 1
1 482 . 9 1 1 A 40 40 LEU H H 118 7.801 7.942 -0.141 1
1 483 . 9 1 1 A 40 40 LEU HA H 118 3.892 3.982 -0.090 1
1 492 . 9 1 1 A 40 40 LEU C C 118 180.428 178.520 1.908 1
1 493 . 9 1 1 A 40 40 LEU CA C 118 57.978 57.865 0.113 1
1 494 . 9 1 1 A 40 40 LEU CB C 118 42.699 41.954 0.745 1
1 497 . 9 1 1 A 40 40 LEU N N 118 119.699 120.166 -0.467 1
1 498 . 9 1 1 A 41 41 LEU H H 119 9.153 8.818 0.335 1
1 499 . 9 1 1 A 41 41 LEU HA H 119 4.181 4.398 -0.217 1
1 509 . 9 1 1 A 41 41 LEU C C 119 179.132 179.426 -0.294 1
1 510 . 9 1 1 A 41 41 LEU CA C 119 58.696 58.332 0.364 1
1 511 . 9 1 1 A 41 41 LEU CB C 119 39.102 41.805 -2.703 1
1 515 . 9 1 1 A 41 41 LEU N N 119 118.687 119.319 -0.632 1
1 516 . 9 1 1 A 42 42 GLY H H 120 8.253 8.095 0.158 1
1 517 . 9 1 1 A 42 42 GLY HA2 H 120 4.016 3.708 0.308 1
1 518 . 9 1 1 A 42 42 GLY HA3 H 120 3.610 3.732 -0.122 1
1 519 . 9 1 1 A 42 42 GLY C C 120 175.046 176.463 -1.417 1
1 520 . 9 1 1 A 42 42 GLY CA C 120 48.060 47.460 0.600 1
1 521 . 9 1 1 A 42 42 GLY N N 120 106.562 106.891 -0.329 1
1 522 . 9 1 1 A 43 43 SER H H 121 8.456 8.215 0.241 1
1 523 . 9 1 1 A 43 43 SER HA H 121 3.928 4.001 -0.073 1
1 526 . 9 1 1 A 43 43 SER C C 121 175.318 176.191 -0.873 1
1 527 . 9 1 1 A 43 43 SER CA C 121 62.651 62.849 -0.198 1
1 528 . 9 1 1 A 43 43 SER CB C 121 62.722 63.246 -0.524 1
1 529 . 9 1 1 A 43 43 SER N N 121 117.787 118.685 -0.898 1
1 530 . 9 1 1 A 44 44 TYR H H 122 7.311 7.559 -0.248 1
1 531 . 9 1 1 A 44 44 TYR HA H 122 4.635 4.270 0.365 1
1 538 . 9 1 1 A 44 44 TYR C C 122 178.731 178.169 0.562 1
1 539 . 9 1 1 A 44 44 TYR CA C 122 61.704 60.645 1.059 1
1 540 . 9 1 1 A 44 44 TYR CB C 122 38.809 38.064 0.745 1
1 545 . 9 1 1 A 44 44 TYR N N 122 123.923 120.135 3.788 1
1 546 . 9 1 1 A 45 45 THR H H 123 8.748 8.139 0.609 1
1 547 . 9 1 1 A 45 45 THR HA H 123 3.747 4.251 -0.504 1
1 552 . 9 1 1 A 45 45 THR C C 123 175.781 176.553 -0.772 1
1 553 . 9 1 1 A 45 45 THR CA C 123 67.015 67.305 -0.290 1
1 554 . 9 1 1 A 45 45 THR CB C 123 67.670 67.870 -0.200 1
1 556 . 9 1 1 A 45 45 THR N N 123 121.374 115.140 6.234 1
1 557 . 9 1 1 A 46 46 ILE H H 124 8.131 8.178 -0.047 1
1 558 . 9 1 1 A 46 46 ILE HA H 124 3.161 3.138 0.023 1
1 568 . 9 1 1 A 46 46 ILE C C 124 177.130 177.859 -0.729 1
1 569 . 9 1 1 A 46 46 ILE CA C 124 62.478 65.448 -2.970 1
1 570 . 9 1 1 A 46 46 ILE CB C 124 35.268 37.646 -2.378 1
1 574 . 9 1 1 A 46 46 ILE N N 124 119.593 121.541 -1.948 1
1 575 . 9 1 1 A 47 47 GLN H H 125 7.871 7.853 0.018 1
1 576 . 9 1 1 A 47 47 GLN HA H 125 4.110 3.717 0.393 1
1 583 . 9 1 1 A 47 47 GLN C C 125 178.150 177.865 0.285 1
1 584 . 9 1 1 A 47 47 GLN CA C 125 58.333 58.426 -0.093 1
1 585 . 9 1 1 A 47 47 GLN CB C 125 27.448 27.942 -0.494 1
1 587 . 9 1 1 A 47 47 GLN N N 125 121.155 120.092 1.063 1
1 589 . 9 1 1 A 48 48 SER H H 126 8.194 8.232 -0.038 1
1 590 . 9 1 1 A 48 48 SER HA H 126 4.055 4.233 -0.178 1
1 593 . 9 1 1 A 48 48 SER C C 126 176.209 177.270 -1.061 1
1 594 . 9 1 1 A 48 48 SER CA C 126 60.823 60.925 -0.102 1
1 595 . 9 1 1 A 48 48 SER CB C 126 63.592 62.622 0.970 1
1 596 . 9 1 1 A 48 48 SER N N 126 111.964 115.249 -3.285 1
1 597 . 9 1 1 A 49 49 GLU H H 127 8.009 8.118 -0.109 1
1 598 . 9 1 1 A 49 49 GLU HA H 127 4.296 4.223 0.073 1
1 603 . 9 1 1 A 49 49 GLU C C 127 178.319 178.031 0.288 1
1 604 . 9 1 1 A 49 49 GLU CA C 127 58.376 58.640 -0.264 1
1 605 . 9 1 1 A 49 49 GLU CB C 127 30.928 30.169 0.759 1
1 607 . 9 1 1 A 49 49 GLU N N 127 116.052 121.595 -5.543 1
1 608 . 9 1 1 A 50 50 LEU H H 128 8.916 8.535 0.381 1
1 609 . 9 1 1 A 50 50 LEU HA H 128 4.549 4.582 -0.033 1
1 619 . 9 1 1 A 50 50 LEU C C 128 178.447 177.408 1.039 1
1 620 . 9 1 1 A 50 50 LEU CA C 128 55.159 54.524 0.635 1
1 621 . 9 1 1 A 50 50 LEU CB C 128 43.500 42.868 0.632 1
1 625 . 9 1 1 A 50 50 LEU N N 128 117.044 116.888 0.156 1
1 626 . 9 1 1 A 51 51 GLY H H 129 7.710 7.999 -0.289 1
1 627 . 9 1 1 A 51 51 GLY HA2 H 129 4.261 4.210 0.051 1
1 628 . 9 1 1 A 51 51 GLY HA3 H 129 3.994 4.213 -0.219 1
1 629 . 9 1 1 A 51 51 GLY C C 129 172.406 173.676 -1.270 1
1 630 . 9 1 1 A 51 51 GLY CA C 129 44.162 44.682 -0.520 1
1 631 . 9 1 1 A 51 51 GLY N N 129 109.110 107.300 1.810 1
1 632 . 9 1 1 A 52 52 ASP H H 130 8.131 8.607 -0.476 1
1 633 . 9 1 1 A 52 52 ASP HA H 130 4.577 4.688 -0.111 1
1 636 . 9 1 1 A 52 52 ASP C C 130 176.862 176.198 0.664 1
1 637 . 9 1 1 A 52 52 ASP CA C 130 54.581 55.090 -0.509 1
1 638 . 9 1 1 A 52 52 ASP CB C 130 41.028 41.641 -0.613 1
1 639 . 9 1 1 A 52 52 ASP N N 130 118.844 121.124 -2.280 1
1 640 . 9 1 1 A 53 53 TYR H H 131 8.732 8.620 0.112 1
1 641 . 9 1 1 A 53 53 TYR HA H 131 4.410 4.240 0.170 1
1 648 . 9 1 1 A 53 53 TYR C C 131 174.929 174.362 0.567 1
1 649 . 9 1 1 A 53 53 TYR CA C 131 58.452 59.547 -1.095 1
1 650 . 9 1 1 A 53 53 TYR CB C 131 37.536 39.049 -1.513 1
1 655 . 9 1 1 A 53 53 TYR N N 131 121.518 122.865 -1.347 1
1 656 . 9 1 1 A 54 54 ASP H H 132 9.981 8.349 1.632 1
1 657 . 9 1 1 A 54 54 ASP HA H 132 4.652 5.102 -0.450 1
1 660 . 9 1 1 A 54 54 ASP CA C 132 49.843 51.314 -1.471 1
1 661 . 9 1 1 A 54 54 ASP CB C 132 42.737 40.964 1.773 1
1 662 . 9 1 1 A 54 54 ASP N N 132 132.995 125.866 7.129 1
1 663 . 9 1 1 A 55 55 PRO HA H 133 4.117 4.098 0.019 1
1 670 . 9 1 1 A 55 55 PRO C C 133 178.353 177.882 0.471 1
1 671 . 9 1 1 A 55 55 PRO CA C 133 64.216 64.361 -0.145 1
1 672 . 9 1 1 A 55 55 PRO CB C 133 32.133 31.960 0.173 1
1 675 . 9 1 1 A 56 56 GLU H H 134 7.968 8.944 -0.976 1
1 676 . 9 1 1 A 56 56 GLU HA H 134 4.047 4.074 -0.027 1
1 681 . 9 1 1 A 56 56 GLU C C 134 177.001 178.090 -1.089 1
1 682 . 9 1 1 A 56 56 GLU CA C 134 57.984 58.848 -0.864 1
1 683 . 9 1 1 A 56 56 GLU CB C 134 29.667 28.423 1.244 1
1 685 . 9 1 1 A 56 56 GLU N N 134 116.491 116.429 0.062 1
1 686 . 9 1 1 A 57 57 LEU H H 135 7.137 7.507 -0.370 1
1 687 . 9 1 1 A 57 57 LEU HA H 135 4.186 4.292 -0.106 1
1 697 . 9 1 1 A 57 57 LEU C C 135 177.695 176.571 1.124 1
1 698 . 9 1 1 A 57 57 LEU CA C 135 55.372 55.846 -0.474 1
1 699 . 9 1 1 A 57 57 LEU CB C 135 43.889 43.520 0.369 1
1 703 . 9 1 1 A 57 57 LEU N N 135 118.254 118.200 0.054 1
1 704 . 9 1 1 A 58 58 HIS H H 136 8.121 7.940 0.181 1
1 705 . 9 1 1 A 58 58 HIS HA H 136 4.560 4.703 -0.143 1
1 709 . 9 1 1 A 58 58 HIS C C 136 176.135 174.874 1.261 1
1 710 . 9 1 1 A 58 58 HIS CA C 136 56.134 54.880 1.254 1
1 711 . 9 1 1 A 58 58 HIS CB C 136 31.534 31.785 -0.251 1
1 713 . 9 1 1 A 58 58 HIS N N 136 120.254 115.904 4.350 1
1 714 . 9 1 1 A 59 59 GLY H H 137 7.890 8.641 -0.751 1
1 715 . 9 1 1 A 59 59 GLY HA2 H 137 4.166 4.172 -0.006 1
1 716 . 9 1 1 A 59 59 GLY HA3 H 137 3.990 4.182 -0.192 1
1 717 . 9 1 1 A 59 59 GLY C C 137 175.021 172.363 2.658 1
1 718 . 9 1 1 A 59 59 GLY CA C 137 45.431 45.981 -0.550 1
1 719 . 9 1 1 A 59 59 GLY N N 137 108.183 108.508 -0.325 1
1 720 . 9 1 1 A 60 60 VAL H H 138 8.519 8.301 0.218 1
1 721 . 9 1 1 A 60 60 VAL HA H 138 4.503 4.787 -0.284 1
1 729 . 9 1 1 A 60 60 VAL C C 138 176.419 175.194 1.225 1
1 730 . 9 1 1 A 60 60 VAL CA C 138 62.905 60.427 2.478 1
1 731 . 9 1 1 A 60 60 VAL CB C 138 32.421 35.121 -2.700 1
1 734 . 9 1 1 A 60 60 VAL N N 138 116.738 120.840 -4.102 1
1 735 . 9 1 1 A 61 61 ASP H H 139 8.525 8.229 0.296 1
1 736 . 9 1 1 A 61 61 ASP HA H 139 4.959 4.156 0.803 1
1 739 . 9 1 1 A 61 61 ASP C C 139 177.816 176.217 1.599 1
1 740 . 9 1 1 A 61 61 ASP CA C 139 54.278 55.466 -1.188 1
1 741 . 9 1 1 A 61 61 ASP CB C 139 40.771 39.009 1.762 1
1 742 . 9 1 1 A 61 61 ASP N N 139 120.408 122.333 -1.925 1
1 743 . 9 1 1 A 62 62 TYR H H 140 7.553 8.030 -0.477 1
1 744 . 9 1 1 A 62 62 TYR HA H 140 4.611 4.641 -0.030 1
1 751 . 9 1 1 A 62 62 TYR C C 140 176.791 177.023 -0.232 1
1 752 . 9 1 1 A 62 62 TYR CA C 140 59.811 59.694 0.117 1
1 753 . 9 1 1 A 62 62 TYR CB C 140 37.453 37.238 0.215 1
1 758 . 9 1 1 A 62 62 TYR N N 140 118.187 118.234 -0.047 1
1 759 . 9 1 1 A 63 63 VAL H H 141 7.645 7.829 -0.184 1
1 760 . 9 1 1 A 63 63 VAL HA H 141 3.861 4.164 -0.303 1
1 768 . 9 1 1 A 63 63 VAL C C 141 176.409 177.665 -1.256 1
1 769 . 9 1 1 A 63 63 VAL CA C 141 63.504 65.523 -2.019 1
1 770 . 9 1 1 A 63 63 VAL CB C 141 31.598 31.209 0.389 1
1 773 . 9 1 1 A 63 63 VAL N N 141 118.945 121.579 -2.634 1
1 774 . 9 1 1 A 64 64 SER H H 142 7.611 7.977 -0.366 1
1 775 . 9 1 1 A 64 64 SER HA H 142 4.234 4.361 -0.127 1
1 778 . 9 1 1 A 64 64 SER C C 142 175.035 174.871 0.164 1
1 779 . 9 1 1 A 64 64 SER CA C 142 60.628 61.674 -1.046 1
1 780 . 9 1 1 A 64 64 SER CB C 142 63.183 63.126 0.057 1
1 781 . 9 1 1 A 64 64 SER N N 142 113.661 117.095 -3.434 1
1 782 . 9 1 1 A 65 65 ASP H H 143 7.440 7.505 -0.065 1
1 783 . 9 1 1 A 65 65 ASP HA H 143 4.568 4.526 0.042 1
1 786 . 9 1 1 A 65 65 ASP C C 143 175.376 176.367 -0.991 1
1 787 . 9 1 1 A 65 65 ASP CA C 143 55.077 55.518 -0.441 1
1 788 . 9 1 1 A 65 65 ASP CB C 143 40.913 41.599 -0.686 1
1 789 . 9 1 1 A 65 65 ASP N N 143 118.332 119.919 -1.587 1
1 790 . 9 1 1 A 66 66 PHE H H 144 8.115 7.830 0.285 1
1 791 . 9 1 1 A 66 66 PHE HA H 144 4.369 4.816 -0.447 1
1 798 . 9 1 1 A 66 66 PHE C C 144 174.524 175.220 -0.696 1
1 799 . 9 1 1 A 66 66 PHE CA C 144 57.705 57.626 0.079 1
1 800 . 9 1 1 A 66 66 PHE CB C 144 41.033 40.464 0.569 1
1 805 . 9 1 1 A 66 66 PHE N N 144 120.277 116.943 3.334 1
1 806 . 9 1 1 A 67 67 LYS H H 145 8.688 8.917 -0.229 1
1 807 . 9 1 1 A 67 67 LYS HA H 145 4.671 4.482 0.189 1
1 816 . 9 1 1 A 67 67 LYS C C 145 175.437 176.354 -0.917 1
1 817 . 9 1 1 A 67 67 LYS CA C 145 55.418 55.821 -0.403 1
1 818 . 9 1 1 A 67 67 LYS CB C 145 31.784 31.847 -0.063 1
1 822 . 9 1 1 A 67 67 LYS N N 145 122.931 124.972 -2.041 1
1 823 . 9 1 1 A 68 68 LEU H H 146 9.642 8.553 1.089 1
1 824 . 9 1 1 A 68 68 LEU HA H 146 4.484 4.400 0.084 1
1 834 . 9 1 1 A 68 68 LEU C C 146 175.512 176.487 -0.975 1
1 835 . 9 1 1 A 68 68 LEU CA C 146 54.375 55.943 -1.568 1
1 836 . 9 1 1 A 68 68 LEU CB C 146 44.114 42.601 1.513 1
1 840 . 9 1 1 A 68 68 LEU N N 146 123.156 126.808 -3.652 1
1 841 . 9 1 1 A 69 69 ALA H H 147 7.586 7.540 0.046 1
1 842 . 9 1 1 A 69 69 ALA HA H 147 4.597 4.495 0.102 1
1 846 . 9 1 1 A 69 69 ALA C C 147 173.720 176.850 -3.130 1
1 847 . 9 1 1 A 69 69 ALA CA C 147 49.637 50.618 -0.981 1
1 848 . 9 1 1 A 69 69 ALA CB C 147 22.691 21.333 1.358 1
1 849 . 9 1 1 A 69 69 ALA N N 147 117.486 117.220 0.266 1
1 850 . 9 1 1 A 70 70 PRO HA H 148 4.578 4.396 0.182 1
1 857 . 9 1 1 A 70 70 PRO C C 148 176.996 176.877 0.119 1
1 858 . 9 1 1 A 70 70 PRO CA C 148 64.435 65.235 -0.800 1
1 859 . 9 1 1 A 70 70 PRO CB C 148 31.448 31.995 -0.547 1
1 862 . 9 1 1 A 71 71 ASN H H 149 8.221 8.311 -0.090 1
1 863 . 9 1 1 A 71 71 ASN HA H 149 4.783 4.887 -0.104 1
1 868 . 9 1 1 A 71 71 ASN C C 149 173.865 174.091 -0.226 1
1 869 . 9 1 1 A 71 71 ASN CA C 149 52.308 52.115 0.193 1
1 870 . 9 1 1 A 71 71 ASN CB C 149 38.065 37.173 0.892 1
1 871 . 9 1 1 A 71 71 ASN N N 149 116.940 115.215 1.725 1
1 873 . 9 1 1 A 72 72 GLN H H 150 8.467 8.842 -0.375 1
1 874 . 9 1 1 A 72 72 GLN HA H 150 3.962 4.735 -0.773 1
1 881 . 9 1 1 A 72 72 GLN C C 150 174.832 175.901 -1.069 1
1 882 . 9 1 1 A 72 72 GLN CA C 150 57.793 55.741 2.052 1
1 883 . 9 1 1 A 72 72 GLN CB C 150 29.029 29.512 -0.483 1
1 885 . 9 1 1 A 72 72 GLN N N 150 123.793 124.001 -0.208 1
1 887 . 9 1 1 A 73 73 THR H H 151 7.040 8.615 -1.575 1
1 888 . 9 1 1 A 73 73 THR HA H 151 4.668 4.962 -0.294 1
1 893 . 9 1 1 A 73 73 THR C C 151 175.175 175.285 -0.110 1
1 894 . 9 1 1 A 73 73 THR CA C 151 59.504 59.410 0.094 1
1 895 . 9 1 1 A 73 73 THR CB C 151 72.544 71.876 0.668 1
1 897 . 9 1 1 A 73 73 THR N N 151 115.239 117.610 -2.371 1
1 898 . 9 1 1 A 74 74 LYS H H 152 8.949 8.921 0.028 1
1 899 . 9 1 1 A 74 74 LYS HA H 152 4.109 4.002 0.107 1
1 908 . 9 1 1 A 74 74 LYS C C 152 178.758 177.689 1.069 1
1 909 . 9 1 1 A 74 74 LYS CA C 152 58.521 60.156 -1.635 1
1 910 . 9 1 1 A 74 74 LYS CB C 152 31.372 32.109 -0.737 1
1 914 . 9 1 1 A 74 74 LYS N N 152 122.065 122.239 -0.174 1
1 915 . 9 1 1 A 75 75 GLU H H 153 8.762 7.768 0.994 1
1 916 . 9 1 1 A 75 75 GLU HA H 153 4.098 4.147 -0.049 1
1 921 . 9 1 1 A 75 75 GLU C C 153 179.947 178.993 0.954 1
1 922 . 9 1 1 A 75 75 GLU CA C 153 60.405 59.094 1.311 1
1 923 . 9 1 1 A 75 75 GLU CB C 153 28.999 29.481 -0.482 1
1 925 . 9 1 1 A 75 75 GLU N N 153 118.335 119.624 -1.289 1
1 926 . 9 1 1 A 76 76 LEU H H 154 7.726 7.777 -0.051 1
1 927 . 9 1 1 A 76 76 LEU HA H 154 4.061 3.851 0.210 1
1 937 . 9 1 1 A 76 76 LEU C C 154 178.292 178.622 -0.330 1
1 938 . 9 1 1 A 76 76 LEU CA C 154 58.188 57.885 0.303 1
1 939 . 9 1 1 A 76 76 LEU CB C 154 41.061 41.603 -0.542 1
1 943 . 9 1 1 A 76 76 LEU N N 154 121.434 121.708 -0.274 1
1 944 . 9 1 1 A 77 77 GLU H H 155 8.044 8.580 -0.536 1
1 945 . 9 1 1 A 77 77 GLU HA H 155 3.394 3.892 -0.498 1
1 950 . 9 1 1 A 77 77 GLU C C 155 178.363 179.564 -1.201 1
1 951 . 9 1 1 A 77 77 GLU CA C 155 60.409 59.871 0.538 1
1 952 . 9 1 1 A 77 77 GLU CB C 155 28.697 29.243 -0.546 1
1 954 . 9 1 1 A 77 77 GLU N N 155 118.172 118.843 -0.671 1
1 955 . 9 1 1 A 78 78 GLU H H 156 8.657 8.787 -0.130 1
1 956 . 9 1 1 A 78 78 GLU HA H 156 3.945 3.995 -0.050 1
1 961 . 9 1 1 A 78 78 GLU C C 156 179.197 179.052 0.145 1
1 962 . 9 1 1 A 78 78 GLU CA C 156 59.869 59.268 0.601 1
1 963 . 9 1 1 A 78 78 GLU CB C 156 29.466 29.152 0.314 1
1 965 . 9 1 1 A 78 78 GLU N N 156 117.944 120.037 -2.093 1
1 966 . 9 1 1 A 79 79 LYS H H 157 7.564 7.902 -0.338 1
1 967 . 9 1 1 A 79 79 LYS HA H 157 4.245 4.115 0.130 1
1 976 . 9 1 1 A 79 79 LYS C C 157 178.328 179.042 -0.714 1
1 977 . 9 1 1 A 79 79 LYS CA C 157 57.557 58.947 -1.390 1
1 978 . 9 1 1 A 79 79 LYS CB C 157 30.969 32.403 -1.434 1
1 982 . 9 1 1 A 79 79 LYS N N 157 121.118 121.047 0.071 1
1 983 . 9 1 1 A 80 80 VAL H H 158 8.412 7.656 0.756 1
1 984 . 9 1 1 A 80 80 VAL HA H 158 3.314 3.848 -0.534 1
1 992 . 9 1 1 A 80 80 VAL C C 158 177.623 177.975 -0.352 1
1 993 . 9 1 1 A 80 80 VAL CA C 158 67.250 66.340 0.910 1
1 994 . 9 1 1 A 80 80 VAL CB C 158 30.867 31.692 -0.825 1
1 997 . 9 1 1 A 80 80 VAL N N 158 119.270 118.962 0.308 1
1 998 . 9 1 1 A 81 81 MET H H 159 8.212 7.978 0.234 1
1 999 . 9 1 1 A 81 81 MET HA H 159 4.039 4.201 -0.162 1
1 1007 . 9 1 1 A 81 81 MET C C 159 177.305 178.900 -1.595 1
1 1008 . 9 1 1 A 81 81 MET CA C 159 59.998 59.060 0.938 1
1 1009 . 9 1 1 A 81 81 MET CB C 159 33.605 33.083 0.522 1
1 1012 . 9 1 1 A 81 81 MET N N 159 117.924 117.649 0.275 1
1 1013 . 9 1 1 A 82 82 GLU H H 160 7.780 8.380 -0.600 1
1 1014 . 9 1 1 A 82 82 GLU HA H 160 3.768 3.977 -0.209 1
1 1019 . 9 1 1 A 82 82 GLU C C 160 179.468 178.950 0.518 1
1 1020 . 9 1 1 A 82 82 GLU CA C 160 59.555 59.147 0.408 1
1 1021 . 9 1 1 A 82 82 GLU CB C 160 29.831 29.195 0.636 1
1 1023 . 9 1 1 A 82 82 GLU N N 160 119.282 118.775 0.507 1
1 1024 . 9 1 1 A 83 83 LEU H H 161 7.748 8.038 -0.290 1
1 1025 . 9 1 1 A 83 83 LEU HA H 161 3.756 3.658 0.098 1
1 1035 . 9 1 1 A 83 83 LEU C C 161 179.113 178.827 0.286 1
1 1036 . 9 1 1 A 83 83 LEU CA C 161 57.246 57.550 -0.304 1
1 1037 . 9 1 1 A 83 83 LEU CB C 161 41.824 41.502 0.322 1
1 1041 . 9 1 1 A 83 83 LEU N N 161 118.542 119.665 -1.123 1
1 1042 . 9 1 1 A 84 84 HIS H H 162 8.842 8.079 0.763 1
1 1043 . 9 1 1 A 84 84 HIS HA H 162 3.986 4.223 -0.237 1
1 1047 . 9 1 1 A 84 84 HIS C C 162 178.286 177.326 0.960 1
1 1048 . 9 1 1 A 84 84 HIS CA C 162 58.407 60.187 -1.780 1
1 1049 . 9 1 1 A 84 84 HIS CB C 162 32.405 29.827 2.578 1
1 1051 . 9 1 1 A 84 84 HIS N N 162 120.325 118.304 2.021 1
1 1052 . 9 1 1 A 85 85 LYS H H 163 7.951 7.938 0.013 1
1 1053 . 9 1 1 A 85 85 LYS HA H 163 3.383 3.894 -0.511 1
1 1062 . 9 1 1 A 85 85 LYS C C 163 177.303 179.458 -2.155 1
1 1063 . 9 1 1 A 85 85 LYS CA C 163 59.730 58.912 0.818 1
1 1064 . 9 1 1 A 85 85 LYS CB C 163 32.489 31.441 1.048 1
1 1068 . 9 1 1 A 85 85 LYS N N 163 116.598 118.949 -2.351 1
1 1069 . 9 1 1 A 86 86 SER H H 164 7.334 7.879 -0.545 1
1 1070 . 9 1 1 A 86 86 SER HA H 164 4.442 4.128 0.314 1
1 1073 . 9 1 1 A 86 86 SER C C 164 175.296 174.220 1.076 1
1 1074 . 9 1 1 A 86 86 SER CA C 164 59.708 60.703 -0.995 1
1 1075 . 9 1 1 A 86 86 SER CB C 164 64.669 63.112 1.557 1
1 1076 . 9 1 1 A 86 86 SER N N 164 113.922 113.483 0.439 1
1 1077 . 9 1 1 A 87 87 TYR H H 165 7.321 7.594 -0.273 1
1 1078 . 9 1 1 A 87 87 TYR HA H 165 5.037 4.625 0.412 1
1 1085 . 9 1 1 A 87 87 TYR C C 165 175.143 176.090 -0.947 1
1 1086 . 9 1 1 A 87 87 TYR CA C 165 54.570 58.784 -4.214 1
1 1087 . 9 1 1 A 87 87 TYR CB C 165 36.575 38.956 -2.381 1
1 1092 . 9 1 1 A 87 87 TYR N N 165 123.163 120.020 3.143 1
1 1093 . 9 1 1 A 88 88 ARG H H 166 7.263 8.439 -1.176 1
1 1094 . 9 1 1 A 88 88 ARG HA H 166 4.264 4.476 -0.212 1
1 1102 . 9 1 1 A 88 88 ARG C C 166 177.455 175.924 1.531 1
1 1103 . 9 1 1 A 88 88 ARG CA C 166 58.086 55.516 2.570 1
1 1104 . 9 1 1 A 88 88 ARG CB C 166 30.702 32.178 -1.476 1
1 1107 . 9 1 1 A 88 88 ARG N N 166 119.334 124.457 -5.123 1
1 1108 . 9 1 1 A 89 89 SER H H 167 10.206 8.504 1.702 1
1 1109 . 9 1 1 A 89 89 SER HA H 167 4.265 4.600 -0.335 1
1 1112 . 9 1 1 A 89 89 SER C C 167 174.371 173.482 0.889 1
1 1113 . 9 1 1 A 89 89 SER CA C 167 60.818 57.467 3.351 1
1 1114 . 9 1 1 A 89 89 SER CB C 167 62.576 61.427 1.149 1
1 1115 . 9 1 1 A 89 89 SER N N 167 121.486 116.522 4.964 1
1 1116 . 9 1 1 A 90 90 MET H H 168 8.409 9.392 -0.983 1
1 1117 . 9 1 1 A 90 90 MET HA H 168 4.531 4.630 -0.099 1
1 1125 . 9 1 1 A 90 90 MET C C 168 177.396 175.621 1.775 1
1 1126 . 9 1 1 A 90 90 MET CA C 168 56.283 55.566 0.717 1
1 1127 . 9 1 1 A 90 90 MET CB C 168 35.048 33.628 1.420 1
1 1130 . 9 1 1 A 90 90 MET N N 168 124.849 127.404 -2.555 1
1 1131 . 9 1 1 A 91 91 THR H H 169 8.981 8.959 0.022 1
1 1132 . 9 1 1 A 91 91 THR HA H 169 4.589 4.998 -0.409 1
1 1137 . 9 1 1 A 91 91 THR C C 169 173.532 174.523 -0.991 1
1 1138 . 9 1 1 A 91 91 THR CA C 169 61.052 59.186 1.866 1
1 1139 . 9 1 1 A 91 91 THR CB C 169 68.249 69.468 -1.219 1
1 1141 . 9 1 1 A 91 91 THR N N 169 122.910 113.928 8.982 1
1 1142 . 9 1 1 A 92 92 PRO HA H 170 4.151 4.224 -0.073 1
1 1147 . 9 1 1 A 92 92 PRO C C 170 177.481 178.256 -0.775 1
1 1148 . 9 1 1 A 92 92 PRO CA C 170 66.599 66.033 0.566 1
1 1149 . 9 1 1 A 92 92 PRO CB C 170 31.740 31.450 0.290 1
1 1151 . 9 1 1 A 93 93 ALA H H 171 7.833 8.365 -0.532 1
1 1152 . 9 1 1 A 93 93 ALA HA H 171 4.135 3.976 0.159 1
1 1156 . 9 1 1 A 93 93 ALA C C 171 180.982 180.500 0.482 1
1 1157 . 9 1 1 A 93 93 ALA CA C 171 54.982 55.396 -0.414 1
1 1158 . 9 1 1 A 93 93 ALA CB C 171 18.373 18.514 -0.141 1
1 1159 . 9 1 1 A 93 93 ALA N N 171 115.945 118.174 -2.229 1
1 1160 . 9 1 1 A 94 94 GLN H H 172 7.868 7.865 0.003 1
1 1161 . 9 1 1 A 94 94 GLN HA H 172 3.911 3.970 -0.059 1
1 1168 . 9 1 1 A 94 94 GLN C C 172 178.279 178.296 -0.017 1
1 1169 . 9 1 1 A 94 94 GLN CA C 172 58.547 58.644 -0.097 1
1 1170 . 9 1 1 A 94 94 GLN CB C 172 28.318 28.332 -0.014 1
1 1172 . 9 1 1 A 94 94 GLN N N 172 118.910 117.838 1.072 1
1 1174 . 9 1 1 A 95 95 ALA H H 173 8.459 7.728 0.731 1
1 1175 . 9 1 1 A 95 95 ALA HA H 173 4.066 3.808 0.258 1
1 1179 . 9 1 1 A 95 95 ALA C C 173 179.362 179.807 -0.445 1
1 1180 . 9 1 1 A 95 95 ALA CA C 173 55.413 55.294 0.119 1
1 1181 . 9 1 1 A 95 95 ALA CB C 173 17.730 18.251 -0.521 1
1 1182 . 9 1 1 A 95 95 ALA N N 173 123.672 122.566 1.106 1
1 1183 . 9 1 1 A 96 96 ASP H H 174 8.541 8.193 0.348 1
1 1184 . 9 1 1 A 96 96 ASP HA H 174 4.317 4.388 -0.071 1
1 1187 . 9 1 1 A 96 96 ASP C C 174 178.340 178.502 -0.162 1
1 1188 . 9 1 1 A 96 96 ASP CA C 174 57.230 57.398 -0.168 1
1 1189 . 9 1 1 A 96 96 ASP CB C 174 40.024 40.328 -0.304 1
1 1190 . 9 1 1 A 96 96 ASP N N 174 119.397 119.477 -0.080 1
1 1191 . 9 1 1 A 97 97 LEU H H 175 7.798 8.139 -0.341 1
1 1192 . 9 1 1 A 97 97 LEU HA H 175 3.968 4.129 -0.161 1
1 1202 . 9 1 1 A 97 97 LEU C C 175 179.822 178.540 1.282 1
1 1203 . 9 1 1 A 97 97 LEU CA C 175 58.737 57.305 1.432 1
1 1204 . 9 1 1 A 97 97 LEU CB C 175 41.661 41.999 -0.338 1
1 1208 . 9 1 1 A 97 97 LEU N N 175 120.724 120.221 0.503 1
1 1209 . 9 1 1 A 98 98 GLU H H 176 8.172 8.450 -0.278 1
1 1210 . 9 1 1 A 98 98 GLU HA H 176 3.885 3.713 0.172 1
1 1215 . 9 1 1 A 98 98 GLU C C 176 180.447 179.064 1.383 1
1 1216 . 9 1 1 A 98 98 GLU CA C 176 58.870 59.450 -0.580 1
1 1217 . 9 1 1 A 98 98 GLU CB C 176 27.413 28.452 -1.039 1
1 1219 . 9 1 1 A 98 98 GLU N N 176 119.724 119.071 0.653 1
1 1220 . 9 1 1 A 99 99 PHE H H 177 8.542 7.739 0.803 1
1 1221 . 9 1 1 A 99 99 PHE HA H 177 3.819 4.180 -0.361 1
1 1229 . 9 1 1 A 99 99 PHE C C 177 176.805 177.103 -0.298 1
1 1230 . 9 1 1 A 99 99 PHE CA C 177 62.277 61.302 0.975 1
1 1231 . 9 1 1 A 99 99 PHE CB C 177 38.948 39.305 -0.357 1
1 1237 . 9 1 1 A 99 99 PHE N N 177 123.837 121.320 2.517 1
1 1238 . 9 1 1 A 100 100 LEU H H 178 8.532 8.485 0.047 1
1 1239 . 9 1 1 A 100 100 LEU HA H 178 4.028 4.111 -0.083 1
1 1249 . 9 1 1 A 100 100 LEU C C 178 179.884 179.487 0.397 1
1 1250 . 9 1 1 A 100 100 LEU CA C 178 58.046 58.132 -0.086 1
1 1251 . 9 1 1 A 100 100 LEU CB C 178 41.419 41.480 -0.061 1
1 1255 . 9 1 1 A 100 100 LEU N N 178 119.496 119.181 0.315 1
1 1256 . 9 1 1 A 101 101 GLU H H 179 8.769 8.563 0.206 1
1 1257 . 9 1 1 A 101 101 GLU HA H 179 4.043 3.959 0.084 1
1 1262 . 9 1 1 A 101 101 GLU C C 179 179.881 178.905 0.976 1
1 1263 . 9 1 1 A 101 101 GLU CA C 179 59.465 59.255 0.210 1
1 1264 . 9 1 1 A 101 101 GLU CB C 179 29.478 29.258 0.220 1
1 1266 . 9 1 1 A 101 101 GLU N N 179 120.825 121.048 -0.223 1
1 1267 . 9 1 1 A 102 102 ASN H H 180 7.865 7.698 0.167 1
1 1268 . 9 1 1 A 102 102 ASN HA H 180 4.329 4.394 -0.065 1
1 1273 . 9 1 1 A 102 102 ASN C C 180 176.692 177.445 -0.753 1
1 1274 . 9 1 1 A 102 102 ASN CA C 180 57.537 55.781 1.756 1
1 1275 . 9 1 1 A 102 102 ASN CB C 180 40.085 38.329 1.756 1
1 1276 . 9 1 1 A 102 102 ASN N N 180 116.591 117.508 -0.917 1
1 1278 . 9 1 1 A 103 103 ALA H H 181 8.744 8.311 0.433 1
1 1279 . 9 1 1 A 103 103 ALA HA H 181 4.130 3.810 0.320 1
1 1283 . 9 1 1 A 103 103 ALA C C 181 179.546 179.774 -0.228 1
1 1284 . 9 1 1 A 103 103 ALA CA C 181 55.148 54.826 0.322 1
1 1285 . 9 1 1 A 103 103 ALA CB C 181 18.154 18.246 -0.092 1
1 1286 . 9 1 1 A 103 103 ALA N N 181 122.431 122.026 0.405 1
1 1287 . 9 1 1 A 104 104 LYS H H 182 8.493 8.086 0.407 1
1 1288 . 9 1 1 A 104 104 LYS HA H 182 3.786 4.302 -0.516 1
1 1297 . 9 1 1 A 104 104 LYS C C 182 180.012 179.399 0.613 1
1 1298 . 9 1 1 A 104 104 LYS CA C 182 58.547 59.509 -0.962 1
1 1299 . 9 1 1 A 104 104 LYS CB C 182 31.194 32.295 -1.101 1
1 1303 . 9 1 1 A 104 104 LYS N N 182 119.195 117.931 1.264 1
1 1304 . 9 1 1 A 105 105 LYS H H 183 7.661 7.804 -0.143 1
1 1305 . 9 1 1 A 105 105 LYS HA H 183 4.111 4.154 -0.043 1
1 1314 . 9 1 1 A 105 105 LYS C C 183 178.010 178.044 -0.034 1
1 1315 . 9 1 1 A 105 105 LYS CA C 183 58.823 58.425 0.398 1
1 1316 . 9 1 1 A 105 105 LYS CB C 183 32.287 32.462 -0.175 1
1 1320 . 9 1 1 A 105 105 LYS N N 183 120.301 118.920 1.381 1
1 1321 . 9 1 1 A 106 106 LEU H H 184 7.403 7.673 -0.270 1
1 1322 . 9 1 1 A 106 106 LEU HA H 184 4.385 4.315 0.070 1
1 1331 . 9 1 1 A 106 106 LEU C C 184 176.332 176.022 0.310 1
1 1332 . 9 1 1 A 106 106 LEU CA C 184 54.857 54.725 0.132 1
1 1333 . 9 1 1 A 106 106 LEU CB C 184 42.054 42.087 -0.033 1
1 1336 . 9 1 1 A 106 106 LEU N N 184 118.606 118.509 0.097 1
1 1337 . 9 1 1 A 107 107 SER H H 185 8.123 7.839 0.284 1
1 1338 . 9 1 1 A 107 107 SER HA H 185 4.202 4.281 -0.079 1
1 1341 . 9 1 1 A 107 107 SER C C 185 174.826 174.443 0.383 1
1 1342 . 9 1 1 A 107 107 SER CA C 185 58.894 58.865 0.029 1
1 1343 . 9 1 1 A 107 107 SER CB C 185 61.684 61.272 0.412 1
1 1344 . 9 1 1 A 107 107 SER N N 185 113.023 113.391 -0.368 1
1 1345 . 9 1 1 A 108 108 MET H H 186 8.212 7.797 0.415 1
1 1346 . 9 1 1 A 108 108 MET HA H 186 4.188 4.566 -0.378 1
1 1354 . 9 1 1 A 108 108 MET C C 186 174.495 175.913 -1.418 1
1 1355 . 9 1 1 A 108 108 MET CA C 186 57.328 55.764 1.564 1
1 1356 . 9 1 1 A 108 108 MET CB C 186 33.414 33.793 -0.379 1
1 1359 . 9 1 1 A 108 108 MET N N 186 117.267 116.978 0.289 1
1 4 . 10 1 1 A 2 2 SER HA H 80 4.477 4.653 -0.176 1
1 7 . 10 1 1 A 2 2 SER CA C 80 58.344 57.068 1.276 1
1 8 . 10 1 1 A 2 2 SER CB C 80 64.002 63.534 0.468 1
1 9 . 10 1 1 A 3 3 HIS HA H 81 4.614 4.185 0.429 1
1 13 . 10 1 1 A 3 3 HIS C C 81 174.681 173.870 0.811 1
1 14 . 10 1 1 A 3 3 HIS CA C 81 56.231 56.972 -0.741 1
1 15 . 10 1 1 A 3 3 HIS CB C 81 29.839 26.855 2.984 1
1 17 . 10 1 1 A 4 4 MET H H 82 8.285 7.674 0.611 1
1 18 . 10 1 1 A 4 4 MET HA H 82 4.416 4.659 -0.243 1
1 26 . 10 1 1 A 4 4 MET C C 82 175.286 173.313 1.973 1
1 27 . 10 1 1 A 4 4 MET CA C 82 55.165 54.850 0.315 1
1 28 . 10 1 1 A 4 4 MET CB C 82 32.988 36.770 -3.782 1
1 31 . 10 1 1 A 4 4 MET N N 82 121.559 116.918 4.641 1
1 32 . 10 1 1 A 5 5 ASP H H 83 8.362 8.884 -0.522 1
1 33 . 10 1 1 A 5 5 ASP HA H 83 4.844 5.244 -0.400 1
1 36 . 10 1 1 A 5 5 ASP C C 83 175.239 175.766 -0.527 1
1 37 . 10 1 1 A 5 5 ASP CA C 83 52.238 50.213 2.025 1
1 38 . 10 1 1 A 5 5 ASP CB C 83 41.471 42.914 -1.443 1
1 39 . 10 1 1 A 5 5 ASP N N 83 124.060 121.790 2.270 1
1 40 . 10 1 1 A 6 6 PRO HA H 84 4.327 4.588 -0.261 1
1 47 . 10 1 1 A 6 6 PRO C C 84 177.388 176.551 0.837 1
1 48 . 10 1 1 A 6 6 PRO CA C 84 64.084 63.909 0.175 1
1 49 . 10 1 1 A 6 6 PRO CB C 84 32.022 31.915 0.107 1
1 52 . 10 1 1 A 7 7 ALA H H 85 8.406 8.204 0.202 1
1 53 . 10 1 1 A 7 7 ALA HA H 85 4.239 4.563 -0.324 1
1 57 . 10 1 1 A 7 7 ALA C C 85 178.462 177.914 0.548 1
1 58 . 10 1 1 A 7 7 ALA CA C 85 53.223 51.520 1.703 1
1 59 . 10 1 1 A 7 7 ALA CB C 85 18.801 19.533 -0.732 1
1 60 . 10 1 1 A 7 7 ALA N N 85 121.868 121.516 0.352 1
1 61 . 10 1 1 A 8 8 GLN H H 86 7.985 7.928 0.057 1
1 62 . 10 1 1 A 8 8 GLN HA H 86 4.264 4.714 -0.450 1
1 69 . 10 1 1 A 8 8 GLN C C 86 176.124 176.416 -0.292 1
1 70 . 10 1 1 A 8 8 GLN CA C 86 56.101 55.634 0.467 1
1 71 . 10 1 1 A 8 8 GLN CB C 86 29.456 29.072 0.384 1
1 73 . 10 1 1 A 8 8 GLN N N 86 117.727 118.493 -0.766 1
1 75 . 10 1 1 A 9 9 LEU H H 87 8.102 7.946 0.156 1
1 76 . 10 1 1 A 9 9 LEU HA H 87 4.394 3.990 0.404 1
1 86 . 10 1 1 A 9 9 LEU C C 87 177.923 178.696 -0.773 1
1 87 . 10 1 1 A 9 9 LEU CA C 87 55.454 57.910 -2.456 1
1 88 . 10 1 1 A 9 9 LEU CB C 87 42.188 40.969 1.219 1
1 92 . 10 1 1 A 9 9 LEU N N 87 122.045 119.629 2.416 1
1 93 . 10 1 1 A 10 10 THR H H 88 7.902 8.279 -0.377 1
1 94 . 10 1 1 A 10 10 THR HA H 88 4.258 4.021 0.237 1
1 99 . 10 1 1 A 10 10 THR C C 88 175.742 177.002 -1.260 1
1 100 . 10 1 1 A 10 10 THR CA C 88 62.974 65.773 -2.799 1
1 101 . 10 1 1 A 10 10 THR CB C 88 69.759 68.424 1.335 1
1 103 . 10 1 1 A 10 10 THR N N 88 113.859 111.765 2.094 1
1 104 . 10 1 1 A 11 11 GLU H H 89 8.594 8.547 0.047 1
1 105 . 10 1 1 A 11 11 GLU HA H 89 4.213 3.984 0.229 1
1 110 . 10 1 1 A 11 11 GLU C C 89 177.577 179.503 -1.926 1
1 111 . 10 1 1 A 11 11 GLU CA C 89 58.496 60.222 -1.726 1
1 112 . 10 1 1 A 11 11 GLU CB C 89 29.751 29.027 0.724 1
1 114 . 10 1 1 A 11 11 GLU N N 89 122.144 122.385 -0.241 1
1 115 . 10 1 1 A 12 12 ASP H H 90 8.244 7.494 0.750 1
1 116 . 10 1 1 A 12 12 ASP HA H 90 4.419 4.449 -0.030 1
1 119 . 10 1 1 A 12 12 ASP C C 90 178.623 178.751 -0.128 1
1 120 . 10 1 1 A 12 12 ASP CA C 90 56.589 57.099 -0.510 1
1 121 . 10 1 1 A 12 12 ASP CB C 90 40.332 40.957 -0.625 1
1 122 . 10 1 1 A 12 12 ASP N N 90 119.922 120.130 -0.208 1
1 123 . 10 1 1 A 13 13 ILE H H 91 8.092 7.822 0.270 1
1 124 . 10 1 1 A 13 13 ILE HA H 91 3.987 3.614 0.373 1
1 134 . 10 1 1 A 13 13 ILE C C 91 177.124 178.317 -1.193 1
1 135 . 10 1 1 A 13 13 ILE CA C 91 63.562 64.944 -1.382 1
1 136 . 10 1 1 A 13 13 ILE CB C 91 37.830 37.603 0.227 1
1 140 . 10 1 1 A 13 13 ILE N N 91 122.909 120.142 2.767 1
1 141 . 10 1 1 A 14 14 THR H H 92 8.045 8.854 -0.809 1
1 142 . 10 1 1 A 14 14 THR HA H 92 4.040 3.936 0.104 1
1 147 . 10 1 1 A 14 14 THR C C 92 177.358 176.695 0.663 1
1 148 . 10 1 1 A 14 14 THR CA C 92 66.244 65.774 0.470 1
1 149 . 10 1 1 A 14 14 THR CB C 92 68.629 69.063 -0.434 1
1 151 . 10 1 1 A 14 14 THR N N 92 116.529 114.463 2.066 1
1 152 . 10 1 1 A 15 15 ARG H H 93 7.984 8.118 -0.134 1
1 153 . 10 1 1 A 15 15 ARG HA H 93 3.974 3.854 0.120 1
1 161 . 10 1 1 A 15 15 ARG C C 93 177.719 178.094 -0.375 1
1 162 . 10 1 1 A 15 15 ARG CA C 93 60.312 59.876 0.436 1
1 163 . 10 1 1 A 15 15 ARG CB C 93 30.591 29.679 0.912 1
1 166 . 10 1 1 A 15 15 ARG N N 93 121.521 120.035 1.486 1
1 167 . 10 1 1 A 16 16 TYR H H 94 7.948 7.746 0.202 1
1 168 . 10 1 1 A 16 16 TYR HA H 94 4.045 4.159 -0.114 1
1 175 . 10 1 1 A 16 16 TYR C C 94 177.690 177.045 0.645 1
1 176 . 10 1 1 A 16 16 TYR CA C 94 61.568 61.339 0.229 1
1 177 . 10 1 1 A 16 16 TYR CB C 94 37.543 38.361 -0.818 1
1 182 . 10 1 1 A 16 16 TYR N N 94 120.911 120.436 0.475 1
1 183 . 10 1 1 A 17 17 TYR H H 95 8.143 7.882 0.261 1
1 184 . 10 1 1 A 17 17 TYR HA H 95 4.049 4.033 0.016 1
1 191 . 10 1 1 A 17 17 TYR C C 95 179.000 178.206 0.794 1
1 192 . 10 1 1 A 17 17 TYR CA C 95 61.454 61.109 0.345 1
1 193 . 10 1 1 A 17 17 TYR CB C 95 37.483 37.325 0.158 1
1 198 . 10 1 1 A 17 17 TYR N N 95 117.066 117.573 -0.507 1
1 199 . 10 1 1 A 18 18 LEU H H 96 7.976 8.473 -0.497 1
1 200 . 10 1 1 A 18 18 LEU HA H 96 4.203 4.053 0.150 1
1 210 . 10 1 1 A 18 18 LEU C C 96 178.998 178.379 0.619 1
1 211 . 10 1 1 A 18 18 LEU CA C 96 58.097 57.797 0.300 1
1 212 . 10 1 1 A 18 18 LEU CB C 96 41.814 41.687 0.127 1
1 216 . 10 1 1 A 18 18 LEU N N 96 123.012 121.574 1.438 1
1 217 . 10 1 1 A 19 19 CYS H H 97 8.163 8.664 -0.501 1
1 218 . 10 1 1 A 19 19 CYS HA H 97 3.783 3.949 -0.166 1
1 221 . 10 1 1 A 19 19 CYS C C 97 176.663 177.181 -0.518 1
1 222 . 10 1 1 A 19 19 CYS CA C 97 64.973 63.306 1.667 1
1 223 . 10 1 1 A 19 19 CYS CB C 97 25.966 27.014 -1.048 1
1 224 . 10 1 1 A 19 19 CYS N N 97 117.202 117.238 -0.036 1
1 225 . 10 1 1 A 20 20 LEU H H 98 7.863 8.062 -0.199 1
1 226 . 10 1 1 A 20 20 LEU HA H 98 3.681 3.842 -0.161 1
1 236 . 10 1 1 A 20 20 LEU C C 98 179.392 179.441 -0.049 1
1 237 . 10 1 1 A 20 20 LEU CA C 98 58.319 58.079 0.240 1
1 238 . 10 1 1 A 20 20 LEU CB C 98 41.944 41.337 0.607 1
1 242 . 10 1 1 A 20 20 LEU N N 98 118.833 120.136 -1.303 1
1 243 . 10 1 1 A 21 21 GLN H H 99 7.658 7.779 -0.121 1
1 244 . 10 1 1 A 21 21 GLN HA H 99 3.909 4.007 -0.098 1
1 251 . 10 1 1 A 21 21 GLN C C 99 178.326 178.937 -0.611 1
1 252 . 10 1 1 A 21 21 GLN CA C 99 58.704 58.322 0.382 1
1 253 . 10 1 1 A 21 21 GLN CB C 99 28.630 28.366 0.264 1
1 255 . 10 1 1 A 21 21 GLN N N 99 118.958 118.192 0.766 1
1 257 . 10 1 1 A 22 22 LEU H H 100 8.214 8.579 -0.365 1
1 258 . 10 1 1 A 22 22 LEU HA H 100 4.150 4.036 0.114 1
1 268 . 10 1 1 A 22 22 LEU C C 100 179.438 179.463 -0.025 1
1 269 . 10 1 1 A 22 22 LEU CA C 100 58.320 57.976 0.344 1
1 270 . 10 1 1 A 22 22 LEU CB C 100 42.816 41.588 1.228 1
1 274 . 10 1 1 A 22 22 LEU N N 100 119.829 119.712 0.117 1
1 275 . 10 1 1 A 23 23 ARG H H 101 8.722 8.508 0.214 1
1 276 . 10 1 1 A 23 23 ARG HA H 101 3.946 4.104 -0.158 1
1 284 . 10 1 1 A 23 23 ARG C C 101 179.448 178.992 0.456 1
1 285 . 10 1 1 A 23 23 ARG CA C 101 60.910 59.414 1.496 1
1 286 . 10 1 1 A 23 23 ARG CB C 101 29.853 29.656 0.197 1
1 288 . 10 1 1 A 23 23 ARG N N 101 117.690 118.922 -1.232 1
1 289 . 10 1 1 A 24 24 GLN H H 102 7.804 7.690 0.114 1
1 290 . 10 1 1 A 24 24 GLN HA H 102 4.015 4.076 -0.061 1
1 297 . 10 1 1 A 24 24 GLN C C 102 178.951 178.706 0.245 1
1 298 . 10 1 1 A 24 24 GLN CA C 102 58.785 58.523 0.262 1
1 299 . 10 1 1 A 24 24 GLN CB C 102 28.263 28.198 0.065 1
1 301 . 10 1 1 A 24 24 GLN N N 102 117.686 118.443 -0.757 1
1 303 . 10 1 1 A 25 25 ASP H H 103 8.393 7.837 0.556 1
1 304 . 10 1 1 A 25 25 ASP HA H 103 4.414 4.515 -0.101 1
1 307 . 10 1 1 A 25 25 ASP C C 103 179.476 178.853 0.623 1
1 308 . 10 1 1 A 25 25 ASP CA C 103 57.753 57.578 0.175 1
1 309 . 10 1 1 A 25 25 ASP CB C 103 40.432 40.715 -0.283 1
1 310 . 10 1 1 A 25 25 ASP N N 103 122.118 120.430 1.688 1
1 311 . 10 1 1 A 26 26 ILE H H 104 8.737 7.552 1.185 1
1 312 . 10 1 1 A 26 26 ILE HA H 104 3.761 3.675 0.086 1
1 320 . 10 1 1 A 26 26 ILE C C 104 180.320 178.039 2.281 1
1 321 . 10 1 1 A 26 26 ILE CA C 104 65.902 64.741 1.161 1
1 322 . 10 1 1 A 26 26 ILE CB C 104 38.826 37.721 1.105 1
1 325 . 10 1 1 A 26 26 ILE N N 104 122.668 120.149 2.519 1
1 326 . 10 1 1 A 27 27 VAL H H 105 7.923 7.779 0.144 1
1 327 . 10 1 1 A 27 27 VAL HA H 105 3.077 3.927 -0.850 1
1 335 . 10 1 1 A 27 27 VAL C C 105 176.073 177.862 -1.789 1
1 336 . 10 1 1 A 27 27 VAL CA C 105 67.080 64.682 2.398 1
1 337 . 10 1 1 A 27 27 VAL CB C 105 31.450 31.526 -0.076 1
1 340 . 10 1 1 A 27 27 VAL N N 105 121.194 116.716 4.478 1
1 341 . 10 1 1 A 28 28 ALA H H 106 7.892 7.196 0.696 1
1 342 . 10 1 1 A 28 28 ALA HA H 106 4.286 4.346 -0.060 1
1 346 . 10 1 1 A 28 28 ALA C C 106 178.366 177.767 0.599 1
1 347 . 10 1 1 A 28 28 ALA CA C 106 52.572 52.034 0.538 1
1 348 . 10 1 1 A 28 28 ALA CB C 106 19.616 19.514 0.102 1
1 349 . 10 1 1 A 28 28 ALA N N 106 117.103 121.839 -4.736 1
1 350 . 10 1 1 A 29 29 GLY H H 107 7.670 7.959 -0.289 1
1 351 . 10 1 1 A 29 29 GLY HA2 H 107 4.181 3.929 0.252 1
1 352 . 10 1 1 A 29 29 GLY HA3 H 107 3.924 3.933 -0.009 1
1 353 . 10 1 1 A 29 29 GLY C C 107 174.596 175.202 -0.606 1
1 354 . 10 1 1 A 29 29 GLY CA C 107 45.157 46.516 -1.359 1
1 355 . 10 1 1 A 29 29 GLY N N 107 105.038 107.077 -2.039 1
1 356 . 10 1 1 A 30 30 ARG H H 108 7.972 8.416 -0.444 1
1 357 . 10 1 1 A 30 30 ARG HA H 108 4.185 4.336 -0.151 1
1 365 . 10 1 1 A 30 30 ARG C C 108 175.874 175.344 0.530 1
1 366 . 10 1 1 A 30 30 ARG CA C 108 57.987 56.403 1.584 1
1 367 . 10 1 1 A 30 30 ARG CB C 108 31.218 30.744 0.474 1
1 370 . 10 1 1 A 30 30 ARG N N 108 118.333 118.377 -0.044 1
1 371 . 10 1 1 A 31 31 LEU H H 109 6.696 7.552 -0.856 1
1 372 . 10 1 1 A 31 31 LEU HA H 109 4.939 4.770 0.169 1
1 382 . 10 1 1 A 31 31 LEU C C 109 173.324 174.710 -1.386 1
1 383 . 10 1 1 A 31 31 LEU CA C 109 50.930 51.619 -0.689 1
1 384 . 10 1 1 A 31 31 LEU CB C 109 43.480 44.942 -1.462 1
1 388 . 10 1 1 A 31 31 LEU N N 109 118.681 119.876 -1.195 1
1 389 . 10 1 1 A 32 32 PRO HA H 110 4.411 4.505 -0.094 1
1 396 . 10 1 1 A 32 32 PRO C C 110 176.694 176.090 0.604 1
1 397 . 10 1 1 A 32 32 PRO CA C 110 63.123 63.256 -0.133 1
1 398 . 10 1 1 A 32 32 PRO CB C 110 32.022 32.102 -0.080 1
1 401 . 10 1 1 A 33 33 CYS H H 111 8.273 8.636 -0.363 1
1 402 . 10 1 1 A 33 33 CYS HA H 111 4.834 5.085 -0.251 1
1 405 . 10 1 1 A 33 33 CYS C C 111 173.523 173.133 0.390 1
1 406 . 10 1 1 A 33 33 CYS CA C 111 57.890 58.050 -0.160 1
1 407 . 10 1 1 A 33 33 CYS CB C 111 32.282 33.108 -0.826 1
1 408 . 10 1 1 A 33 33 CYS N N 111 119.113 122.563 -3.450 1
1 409 . 10 1 1 A 34 34 SER H H 112 8.738 8.350 0.388 1
1 410 . 10 1 1 A 34 34 SER HA H 112 4.527 4.975 -0.448 1
1 413 . 10 1 1 A 34 34 SER C C 112 173.709 175.227 -1.518 1
1 414 . 10 1 1 A 34 34 SER CA C 112 57.256 56.236 1.020 1
1 415 . 10 1 1 A 34 34 SER CB C 112 65.433 66.277 -0.844 1
1 416 . 10 1 1 A 34 34 SER N N 112 118.212 114.887 3.325 1
1 417 . 10 1 1 A 35 35 PHE H H 113 9.027 9.345 -0.318 1
1 418 . 10 1 1 A 35 35 PHE HA H 113 4.047 4.075 -0.028 1
1 426 . 10 1 1 A 35 35 PHE C C 113 176.433 177.159 -0.726 1
1 427 . 10 1 1 A 35 35 PHE CA C 113 62.623 62.719 -0.096 1
1 428 . 10 1 1 A 35 35 PHE CB C 113 39.128 39.770 -0.642 1
1 434 . 10 1 1 A 35 35 PHE N N 113 122.209 122.358 -0.149 1
1 435 . 10 1 1 A 36 36 ALA H H 114 8.631 8.395 0.236 1
1 436 . 10 1 1 A 36 36 ALA HA H 114 3.926 3.974 -0.048 1
1 440 . 10 1 1 A 36 36 ALA C C 114 181.064 179.800 1.264 1
1 441 . 10 1 1 A 36 36 ALA CA C 114 55.300 55.115 0.185 1
1 442 . 10 1 1 A 36 36 ALA CB C 114 18.423 18.090 0.333 1
1 443 . 10 1 1 A 36 36 ALA N N 114 118.977 121.102 -2.125 1
1 444 . 10 1 1 A 37 37 THR H H 115 7.886 7.782 0.104 1
1 445 . 10 1 1 A 37 37 THR HA H 115 3.859 3.962 -0.103 1
1 450 . 10 1 1 A 37 37 THR C C 115 175.630 176.784 -1.154 1
1 451 . 10 1 1 A 37 37 THR CA C 115 66.294 66.654 -0.360 1
1 452 . 10 1 1 A 37 37 THR CB C 115 68.298 68.126 0.172 1
1 454 . 10 1 1 A 37 37 THR N N 115 117.602 114.421 3.181 1
1 455 . 10 1 1 A 38 38 LEU H H 116 8.740 8.103 0.637 1
1 456 . 10 1 1 A 38 38 LEU HA H 116 3.904 3.917 -0.013 1
1 466 . 10 1 1 A 38 38 LEU C C 116 180.666 179.025 1.641 1
1 467 . 10 1 1 A 38 38 LEU CA C 116 58.166 57.850 0.316 1
1 468 . 10 1 1 A 38 38 LEU CB C 116 43.034 41.325 1.709 1
1 472 . 10 1 1 A 38 38 LEU N N 116 122.945 121.254 1.691 1
1 473 . 10 1 1 A 39 39 ALA H H 117 8.151 8.105 0.046 1
1 474 . 10 1 1 A 39 39 ALA HA H 117 3.776 3.886 -0.110 1
1 478 . 10 1 1 A 39 39 ALA C C 117 178.461 179.748 -1.287 1
1 479 . 10 1 1 A 39 39 ALA CA C 117 53.839 54.842 -1.003 1
1 480 . 10 1 1 A 39 39 ALA CB C 117 17.406 18.045 -0.639 1
1 481 . 10 1 1 A 39 39 ALA N N 117 120.752 121.621 -0.869 1
1 482 . 10 1 1 A 40 40 LEU H H 118 7.801 7.991 -0.190 1
1 483 . 10 1 1 A 40 40 LEU HA H 118 3.892 4.015 -0.123 1
1 492 . 10 1 1 A 40 40 LEU C C 118 180.428 178.566 1.862 1
1 493 . 10 1 1 A 40 40 LEU CA C 118 57.978 57.883 0.095 1
1 494 . 10 1 1 A 40 40 LEU CB C 118 42.699 41.923 0.776 1
1 497 . 10 1 1 A 40 40 LEU N N 118 119.699 120.147 -0.448 1
1 498 . 10 1 1 A 41 41 LEU H H 119 9.153 8.870 0.283 1
1 499 . 10 1 1 A 41 41 LEU HA H 119 4.181 4.436 -0.255 1
1 509 . 10 1 1 A 41 41 LEU C C 119 179.132 179.436 -0.304 1
1 510 . 10 1 1 A 41 41 LEU CA C 119 58.696 58.324 0.372 1
1 511 . 10 1 1 A 41 41 LEU CB C 119 39.102 41.895 -2.793 1
1 515 . 10 1 1 A 41 41 LEU N N 119 118.687 119.336 -0.649 1
1 516 . 10 1 1 A 42 42 GLY H H 120 8.253 8.168 0.085 1
1 517 . 10 1 1 A 42 42 GLY HA2 H 120 4.016 3.866 0.150 1
1 518 . 10 1 1 A 42 42 GLY HA3 H 120 3.610 3.883 -0.273 1
1 519 . 10 1 1 A 42 42 GLY C C 120 175.046 176.502 -1.456 1
1 520 . 10 1 1 A 42 42 GLY CA C 120 48.060 47.497 0.563 1
1 521 . 10 1 1 A 42 42 GLY N N 120 106.562 106.943 -0.381 1
1 522 . 10 1 1 A 43 43 SER H H 121 8.456 8.318 0.138 1
1 523 . 10 1 1 A 43 43 SER HA H 121 3.928 4.144 -0.216 1
1 526 . 10 1 1 A 43 43 SER C C 121 175.318 176.215 -0.897 1
1 527 . 10 1 1 A 43 43 SER CA C 121 62.651 62.906 -0.255 1
1 528 . 10 1 1 A 43 43 SER CB C 121 62.722 63.296 -0.574 1
1 529 . 10 1 1 A 43 43 SER N N 121 117.787 118.772 -0.985 1
1 530 . 10 1 1 A 44 44 TYR H H 122 7.311 7.594 -0.283 1
1 531 . 10 1 1 A 44 44 TYR HA H 122 4.635 4.263 0.372 1
1 538 . 10 1 1 A 44 44 TYR C C 122 178.731 178.211 0.520 1
1 539 . 10 1 1 A 44 44 TYR CA C 122 61.704 60.604 1.100 1
1 540 . 10 1 1 A 44 44 TYR CB C 122 38.809 37.938 0.871 1
1 545 . 10 1 1 A 44 44 TYR N N 122 123.923 120.291 3.632 1
1 546 . 10 1 1 A 45 45 THR H H 123 8.748 8.101 0.647 1
1 547 . 10 1 1 A 45 45 THR HA H 123 3.747 3.892 -0.145 1
1 552 . 10 1 1 A 45 45 THR C C 123 175.781 176.698 -0.917 1
1 553 . 10 1 1 A 45 45 THR CA C 123 67.015 67.108 -0.093 1
1 554 . 10 1 1 A 45 45 THR CB C 123 67.670 68.100 -0.430 1
1 556 . 10 1 1 A 45 45 THR N N 123 121.374 115.077 6.297 1
1 557 . 10 1 1 A 46 46 ILE H H 124 8.131 8.043 0.088 1
1 558 . 10 1 1 A 46 46 ILE HA H 124 3.161 2.996 0.165 1
1 568 . 10 1 1 A 46 46 ILE C C 124 177.130 177.801 -0.671 1
1 569 . 10 1 1 A 46 46 ILE CA C 124 62.478 65.426 -2.948 1
1 570 . 10 1 1 A 46 46 ILE CB C 124 35.268 37.632 -2.364 1
1 574 . 10 1 1 A 46 46 ILE N N 124 119.593 121.459 -1.866 1
1 575 . 10 1 1 A 47 47 GLN H H 125 7.871 7.912 -0.041 1
1 576 . 10 1 1 A 47 47 GLN HA H 125 4.110 3.667 0.443 1
1 583 . 10 1 1 A 47 47 GLN C C 125 178.150 177.835 0.315 1
1 584 . 10 1 1 A 47 47 GLN CA C 125 58.333 58.236 0.097 1
1 585 . 10 1 1 A 47 47 GLN CB C 125 27.448 28.031 -0.583 1
1 587 . 10 1 1 A 47 47 GLN N N 125 121.155 120.206 0.949 1
1 589 . 10 1 1 A 48 48 SER H H 126 8.194 7.873 0.321 1
1 590 . 10 1 1 A 48 48 SER HA H 126 4.055 4.127 -0.072 1
1 593 . 10 1 1 A 48 48 SER C C 126 176.209 176.665 -0.456 1
1 594 . 10 1 1 A 48 48 SER CA C 126 60.823 61.404 -0.581 1
1 595 . 10 1 1 A 48 48 SER CB C 126 63.592 63.123 0.469 1
1 596 . 10 1 1 A 48 48 SER N N 126 111.964 114.020 -2.056 1
1 597 . 10 1 1 A 49 49 GLU H H 127 8.009 7.982 0.027 1
1 598 . 10 1 1 A 49 49 GLU HA H 127 4.296 4.185 0.111 1
1 603 . 10 1 1 A 49 49 GLU C C 127 178.319 178.096 0.223 1
1 604 . 10 1 1 A 49 49 GLU CA C 127 58.376 58.677 -0.301 1
1 605 . 10 1 1 A 49 49 GLU CB C 127 30.928 30.094 0.834 1
1 607 . 10 1 1 A 49 49 GLU N N 127 116.052 121.578 -5.526 1
1 608 . 10 1 1 A 50 50 LEU H H 128 8.916 8.568 0.348 1
1 609 . 10 1 1 A 50 50 LEU HA H 128 4.549 4.500 0.049 1
1 619 . 10 1 1 A 50 50 LEU C C 128 178.447 177.175 1.272 1
1 620 . 10 1 1 A 50 50 LEU CA C 128 55.159 54.516 0.643 1
1 621 . 10 1 1 A 50 50 LEU CB C 128 43.500 42.798 0.702 1
1 625 . 10 1 1 A 50 50 LEU N N 128 117.044 116.727 0.317 1
1 626 . 10 1 1 A 51 51 GLY H H 129 7.710 7.869 -0.159 1
1 627 . 10 1 1 A 51 51 GLY HA2 H 129 4.261 4.149 0.112 1
1 628 . 10 1 1 A 51 51 GLY HA3 H 129 3.994 4.163 -0.169 1
1 629 . 10 1 1 A 51 51 GLY C C 129 172.406 173.148 -0.742 1
1 630 . 10 1 1 A 51 51 GLY CA C 129 44.162 44.498 -0.336 1
1 631 . 10 1 1 A 51 51 GLY N N 129 109.110 107.146 1.964 1
1 632 . 10 1 1 A 52 52 ASP H H 130 8.131 8.427 -0.296 1
1 633 . 10 1 1 A 52 52 ASP HA H 130 4.577 4.891 -0.314 1
1 636 . 10 1 1 A 52 52 ASP C C 130 176.862 175.407 1.455 1
1 637 . 10 1 1 A 52 52 ASP CA C 130 54.581 54.754 -0.173 1
1 638 . 10 1 1 A 52 52 ASP CB C 130 41.028 41.761 -0.733 1
1 639 . 10 1 1 A 52 52 ASP N N 130 118.844 120.906 -2.062 1
1 640 . 10 1 1 A 53 53 TYR H H 131 8.732 8.979 -0.247 1
1 641 . 10 1 1 A 53 53 TYR HA H 131 4.410 4.666 -0.256 1
1 648 . 10 1 1 A 53 53 TYR C C 131 174.929 174.454 0.475 1
1 649 . 10 1 1 A 53 53 TYR CA C 131 58.452 59.340 -0.888 1
1 650 . 10 1 1 A 53 53 TYR CB C 131 37.536 39.495 -1.959 1
1 655 . 10 1 1 A 53 53 TYR N N 131 121.518 124.501 -2.983 1
1 656 . 10 1 1 A 54 54 ASP H H 132 9.981 7.835 2.146 1
1 657 . 10 1 1 A 54 54 ASP HA H 132 4.652 5.167 -0.515 1
1 660 . 10 1 1 A 54 54 ASP CA C 132 49.843 50.656 -0.813 1
1 661 . 10 1 1 A 54 54 ASP CB C 132 42.737 42.032 0.705 1
1 662 . 10 1 1 A 54 54 ASP N N 132 132.995 127.630 5.365 1
1 663 . 10 1 1 A 55 55 PRO HA H 133 4.117 4.220 -0.103 1
1 670 . 10 1 1 A 55 55 PRO C C 133 178.353 177.720 0.633 1
1 671 . 10 1 1 A 55 55 PRO CA C 133 64.216 64.398 -0.182 1
1 672 . 10 1 1 A 55 55 PRO CB C 133 32.133 32.074 0.059 1
1 675 . 10 1 1 A 56 56 GLU H H 134 7.968 8.919 -0.951 1
1 676 . 10 1 1 A 56 56 GLU HA H 134 4.047 3.934 0.113 1
1 681 . 10 1 1 A 56 56 GLU C C 134 177.001 177.617 -0.616 1
1 682 . 10 1 1 A 56 56 GLU CA C 134 57.984 58.664 -0.680 1
1 683 . 10 1 1 A 56 56 GLU CB C 134 29.667 28.415 1.252 1
1 685 . 10 1 1 A 56 56 GLU N N 134 116.491 115.888 0.603 1
1 686 . 10 1 1 A 57 57 LEU H H 135 7.137 7.368 -0.231 1
1 687 . 10 1 1 A 57 57 LEU HA H 135 4.186 4.314 -0.128 1
1 697 . 10 1 1 A 57 57 LEU C C 135 177.695 176.944 0.751 1
1 698 . 10 1 1 A 57 57 LEU CA C 135 55.372 54.876 0.496 1
1 699 . 10 1 1 A 57 57 LEU CB C 135 43.889 42.629 1.260 1
1 703 . 10 1 1 A 57 57 LEU N N 135 118.254 117.888 0.366 1
1 704 . 10 1 1 A 58 58 HIS H H 136 8.121 7.448 0.673 1
1 705 . 10 1 1 A 58 58 HIS HA H 136 4.560 4.601 -0.041 1
1 709 . 10 1 1 A 58 58 HIS C C 136 176.135 174.025 2.110 1
1 710 . 10 1 1 A 58 58 HIS CA C 136 56.134 57.206 -1.072 1
1 711 . 10 1 1 A 58 58 HIS CB C 136 31.534 28.590 2.944 1
1 713 . 10 1 1 A 58 58 HIS N N 136 120.254 116.471 3.783 1
1 714 . 10 1 1 A 59 59 GLY H H 137 7.890 8.536 -0.646 1
1 715 . 10 1 1 A 59 59 GLY HA2 H 137 4.166 4.090 0.076 1
1 716 . 10 1 1 A 59 59 GLY HA3 H 137 3.990 4.187 -0.197 1
1 717 . 10 1 1 A 59 59 GLY C C 137 175.021 171.961 3.060 1
1 718 . 10 1 1 A 59 59 GLY CA C 137 45.431 45.834 -0.403 1
1 719 . 10 1 1 A 59 59 GLY N N 137 108.183 108.697 -0.514 1
1 720 . 10 1 1 A 60 60 VAL H H 138 8.519 8.446 0.073 1
1 721 . 10 1 1 A 60 60 VAL HA H 138 4.503 3.997 0.506 1
1 729 . 10 1 1 A 60 60 VAL C C 138 176.419 174.009 2.410 1
1 730 . 10 1 1 A 60 60 VAL CA C 138 62.905 59.504 3.401 1
1 731 . 10 1 1 A 60 60 VAL CB C 138 32.421 35.432 -3.011 1
1 734 . 10 1 1 A 60 60 VAL N N 138 116.738 120.256 -3.518 1
1 735 . 10 1 1 A 61 61 ASP H H 139 8.525 8.492 0.033 1
1 736 . 10 1 1 A 61 61 ASP HA H 139 4.959 4.191 0.768 1
1 739 . 10 1 1 A 61 61 ASP C C 139 177.816 176.112 1.704 1
1 740 . 10 1 1 A 61 61 ASP CA C 139 54.278 55.422 -1.144 1
1 741 . 10 1 1 A 61 61 ASP CB C 139 40.771 39.087 1.684 1
1 742 . 10 1 1 A 61 61 ASP N N 139 120.408 119.545 0.863 1
1 743 . 10 1 1 A 62 62 TYR H H 140 7.553 7.694 -0.141 1
1 744 . 10 1 1 A 62 62 TYR HA H 140 4.611 4.623 -0.012 1
1 751 . 10 1 1 A 62 62 TYR C C 140 176.791 177.284 -0.493 1
1 752 . 10 1 1 A 62 62 TYR CA C 140 59.811 58.716 1.095 1
1 753 . 10 1 1 A 62 62 TYR CB C 140 37.453 37.626 -0.173 1
1 758 . 10 1 1 A 62 62 TYR N N 140 118.187 117.688 0.499 1
1 759 . 10 1 1 A 63 63 VAL H H 141 7.645 8.067 -0.422 1
1 760 . 10 1 1 A 63 63 VAL HA H 141 3.861 3.960 -0.099 1
1 768 . 10 1 1 A 63 63 VAL C C 141 176.409 178.528 -2.119 1
1 769 . 10 1 1 A 63 63 VAL CA C 141 63.504 66.634 -3.130 1
1 770 . 10 1 1 A 63 63 VAL CB C 141 31.598 31.507 0.091 1
1 773 . 10 1 1 A 63 63 VAL N N 141 118.945 122.154 -3.209 1
1 774 . 10 1 1 A 64 64 SER H H 142 7.611 8.390 -0.779 1
1 775 . 10 1 1 A 64 64 SER HA H 142 4.234 4.333 -0.099 1
1 778 . 10 1 1 A 64 64 SER C C 142 175.035 174.514 0.521 1
1 779 . 10 1 1 A 64 64 SER CA C 142 60.628 61.536 -0.908 1
1 780 . 10 1 1 A 64 64 SER CB C 142 63.183 63.156 0.027 1
1 781 . 10 1 1 A 64 64 SER N N 142 113.661 117.174 -3.513 1
1 782 . 10 1 1 A 65 65 ASP H H 143 7.440 7.792 -0.352 1
1 783 . 10 1 1 A 65 65 ASP HA H 143 4.568 4.535 0.033 1
1 786 . 10 1 1 A 65 65 ASP C C 143 175.376 175.877 -0.501 1
1 787 . 10 1 1 A 65 65 ASP CA C 143 55.077 54.946 0.131 1
1 788 . 10 1 1 A 65 65 ASP CB C 143 40.913 41.608 -0.695 1
1 789 . 10 1 1 A 65 65 ASP N N 143 118.332 119.631 -1.299 1
1 790 . 10 1 1 A 66 66 PHE H H 144 8.115 7.783 0.332 1
1 791 . 10 1 1 A 66 66 PHE HA H 144 4.369 4.942 -0.573 1
1 798 . 10 1 1 A 66 66 PHE C C 144 174.524 175.148 -0.624 1
1 799 . 10 1 1 A 66 66 PHE CA C 144 57.705 57.408 0.297 1
1 800 . 10 1 1 A 66 66 PHE CB C 144 41.033 40.510 0.523 1
1 805 . 10 1 1 A 66 66 PHE N N 144 120.277 117.352 2.925 1
1 806 . 10 1 1 A 67 67 LYS H H 145 8.688 8.935 -0.247 1
1 807 . 10 1 1 A 67 67 LYS HA H 145 4.671 4.495 0.176 1
1 816 . 10 1 1 A 67 67 LYS C C 145 175.437 176.385 -0.948 1
1 817 . 10 1 1 A 67 67 LYS CA C 145 55.418 55.864 -0.446 1
1 818 . 10 1 1 A 67 67 LYS CB C 145 31.784 31.809 -0.025 1
1 822 . 10 1 1 A 67 67 LYS N N 145 122.931 125.213 -2.282 1
1 823 . 10 1 1 A 68 68 LEU H H 146 9.642 8.606 1.036 1
1 824 . 10 1 1 A 68 68 LEU HA H 146 4.484 4.512 -0.028 1
1 834 . 10 1 1 A 68 68 LEU C C 146 175.512 176.544 -1.032 1
1 835 . 10 1 1 A 68 68 LEU CA C 146 54.375 55.806 -1.431 1
1 836 . 10 1 1 A 68 68 LEU CB C 146 44.114 43.038 1.076 1
1 840 . 10 1 1 A 68 68 LEU N N 146 123.156 126.052 -2.896 1
1 841 . 10 1 1 A 69 69 ALA H H 147 7.586 7.570 0.016 1
1 842 . 10 1 1 A 69 69 ALA HA H 147 4.597 4.746 -0.149 1
1 846 . 10 1 1 A 69 69 ALA C C 147 173.720 176.781 -3.061 1
1 847 . 10 1 1 A 69 69 ALA CA C 147 49.637 50.545 -0.908 1
1 848 . 10 1 1 A 69 69 ALA CB C 147 22.691 21.407 1.284 1
1 849 . 10 1 1 A 69 69 ALA N N 147 117.486 117.705 -0.219 1
1 850 . 10 1 1 A 70 70 PRO HA H 148 4.578 4.410 0.168 1
1 857 . 10 1 1 A 70 70 PRO C C 148 176.996 177.127 -0.131 1
1 858 . 10 1 1 A 70 70 PRO CA C 148 64.435 65.705 -1.270 1
1 859 . 10 1 1 A 70 70 PRO CB C 148 31.448 31.582 -0.134 1
1 862 . 10 1 1 A 71 71 ASN H H 149 8.221 8.313 -0.092 1
1 863 . 10 1 1 A 71 71 ASN HA H 149 4.783 4.946 -0.163 1
1 868 . 10 1 1 A 71 71 ASN C C 149 173.865 174.224 -0.359 1
1 869 . 10 1 1 A 71 71 ASN CA C 149 52.308 52.279 0.029 1
1 870 . 10 1 1 A 71 71 ASN CB C 149 38.065 37.191 0.874 1
1 871 . 10 1 1 A 71 71 ASN N N 149 116.940 114.857 2.083 1
1 873 . 10 1 1 A 72 72 GLN H H 150 8.467 8.544 -0.077 1
1 874 . 10 1 1 A 72 72 GLN HA H 150 3.962 4.690 -0.728 1
1 881 . 10 1 1 A 72 72 GLN C C 150 174.832 175.913 -1.081 1
1 882 . 10 1 1 A 72 72 GLN CA C 150 57.793 55.929 1.864 1
1 883 . 10 1 1 A 72 72 GLN CB C 150 29.029 29.480 -0.451 1
1 885 . 10 1 1 A 72 72 GLN N N 150 123.793 124.662 -0.869 1
1 887 . 10 1 1 A 73 73 THR H H 151 7.040 8.627 -1.587 1
1 888 . 10 1 1 A 73 73 THR HA H 151 4.668 4.991 -0.323 1
1 893 . 10 1 1 A 73 73 THR C C 151 175.175 176.247 -1.072 1
1 894 . 10 1 1 A 73 73 THR CA C 151 59.504 59.368 0.136 1
1 895 . 10 1 1 A 73 73 THR CB C 151 72.544 72.067 0.477 1
1 897 . 10 1 1 A 73 73 THR N N 151 115.239 118.354 -3.115 1
1 898 . 10 1 1 A 74 74 LYS H H 152 8.949 9.124 -0.175 1
1 899 . 10 1 1 A 74 74 LYS HA H 152 4.109 4.106 0.003 1
1 908 . 10 1 1 A 74 74 LYS C C 152 178.758 179.086 -0.328 1
1 909 . 10 1 1 A 74 74 LYS CA C 152 58.521 60.196 -1.675 1
1 910 . 10 1 1 A 74 74 LYS CB C 152 31.372 32.087 -0.715 1
1 914 . 10 1 1 A 74 74 LYS N N 152 122.065 121.555 0.510 1
1 915 . 10 1 1 A 75 75 GLU H H 153 8.762 7.796 0.966 1
1 916 . 10 1 1 A 75 75 GLU HA H 153 4.098 4.139 -0.041 1
1 921 . 10 1 1 A 75 75 GLU C C 153 179.947 179.064 0.883 1
1 922 . 10 1 1 A 75 75 GLU CA C 153 60.405 59.111 1.294 1
1 923 . 10 1 1 A 75 75 GLU CB C 153 28.999 29.444 -0.445 1
1 925 . 10 1 1 A 75 75 GLU N N 153 118.335 119.675 -1.340 1
1 926 . 10 1 1 A 76 76 LEU H H 154 7.726 7.815 -0.089 1
1 927 . 10 1 1 A 76 76 LEU HA H 154 4.061 3.968 0.093 1
1 937 . 10 1 1 A 76 76 LEU C C 154 178.292 178.738 -0.446 1
1 938 . 10 1 1 A 76 76 LEU CA C 154 58.188 57.847 0.341 1
1 939 . 10 1 1 A 76 76 LEU CB C 154 41.061 41.612 -0.551 1
1 943 . 10 1 1 A 76 76 LEU N N 154 121.434 121.206 0.228 1
1 944 . 10 1 1 A 77 77 GLU H H 155 8.044 8.707 -0.663 1
1 945 . 10 1 1 A 77 77 GLU HA H 155 3.394 3.965 -0.571 1
1 950 . 10 1 1 A 77 77 GLU C C 155 178.363 179.538 -1.175 1
1 951 . 10 1 1 A 77 77 GLU CA C 155 60.409 59.952 0.457 1
1 952 . 10 1 1 A 77 77 GLU CB C 155 28.697 29.223 -0.526 1
1 954 . 10 1 1 A 77 77 GLU N N 155 118.172 118.959 -0.787 1
1 955 . 10 1 1 A 78 78 GLU H H 156 8.657 8.810 -0.153 1
1 956 . 10 1 1 A 78 78 GLU HA H 156 3.945 4.017 -0.072 1
1 961 . 10 1 1 A 78 78 GLU C C 156 179.197 179.152 0.045 1
1 962 . 10 1 1 A 78 78 GLU CA C 156 59.869 59.298 0.571 1
1 963 . 10 1 1 A 78 78 GLU CB C 156 29.466 29.137 0.329 1
1 965 . 10 1 1 A 78 78 GLU N N 156 117.944 120.326 -2.382 1
1 966 . 10 1 1 A 79 79 LYS H H 157 7.564 7.903 -0.339 1
1 967 . 10 1 1 A 79 79 LYS HA H 157 4.245 4.171 0.074 1
1 976 . 10 1 1 A 79 79 LYS C C 157 178.328 178.865 -0.537 1
1 977 . 10 1 1 A 79 79 LYS CA C 157 57.557 58.711 -1.154 1
1 978 . 10 1 1 A 79 79 LYS CB C 157 30.969 32.368 -1.399 1
1 982 . 10 1 1 A 79 79 LYS N N 157 121.118 121.318 -0.200 1
1 983 . 10 1 1 A 80 80 VAL H H 158 8.412 7.758 0.654 1
1 984 . 10 1 1 A 80 80 VAL HA H 158 3.314 3.923 -0.609 1
1 992 . 10 1 1 A 80 80 VAL C C 158 177.623 178.089 -0.466 1
1 993 . 10 1 1 A 80 80 VAL CA C 158 67.250 66.300 0.950 1
1 994 . 10 1 1 A 80 80 VAL CB C 158 30.867 31.879 -1.012 1
1 997 . 10 1 1 A 80 80 VAL N N 158 119.270 119.727 -0.457 1
1 998 . 10 1 1 A 81 81 MET H H 159 8.212 7.943 0.269 1
1 999 . 10 1 1 A 81 81 MET HA H 159 4.039 4.251 -0.212 1
1 1007 . 10 1 1 A 81 81 MET C C 159 177.305 178.811 -1.506 1
1 1008 . 10 1 1 A 81 81 MET CA C 159 59.998 59.145 0.853 1
1 1009 . 10 1 1 A 81 81 MET CB C 159 33.605 33.155 0.450 1
1 1012 . 10 1 1 A 81 81 MET N N 159 117.924 117.586 0.338 1
1 1013 . 10 1 1 A 82 82 GLU H H 160 7.780 8.366 -0.586 1
1 1014 . 10 1 1 A 82 82 GLU HA H 160 3.768 3.971 -0.203 1
1 1019 . 10 1 1 A 82 82 GLU C C 160 179.468 179.219 0.249 1
1 1020 . 10 1 1 A 82 82 GLU CA C 160 59.555 59.257 0.298 1
1 1021 . 10 1 1 A 82 82 GLU CB C 160 29.831 29.233 0.598 1
1 1023 . 10 1 1 A 82 82 GLU N N 160 119.282 119.189 0.093 1
1 1024 . 10 1 1 A 83 83 LEU H H 161 7.748 8.249 -0.501 1
1 1025 . 10 1 1 A 83 83 LEU HA H 161 3.756 3.586 0.170 1
1 1035 . 10 1 1 A 83 83 LEU C C 161 179.113 178.473 0.640 1
1 1036 . 10 1 1 A 83 83 LEU CA C 161 57.246 57.586 -0.340 1
1 1037 . 10 1 1 A 83 83 LEU CB C 161 41.824 41.414 0.410 1
1 1041 . 10 1 1 A 83 83 LEU N N 161 118.542 119.588 -1.046 1
1 1042 . 10 1 1 A 84 84 HIS H H 162 8.842 8.035 0.807 1
1 1043 . 10 1 1 A 84 84 HIS HA H 162 3.986 4.159 -0.173 1
1 1047 . 10 1 1 A 84 84 HIS C C 162 178.286 177.421 0.865 1
1 1048 . 10 1 1 A 84 84 HIS CA C 162 58.407 59.982 -1.575 1
1 1049 . 10 1 1 A 84 84 HIS CB C 162 32.405 30.014 2.391 1
1 1051 . 10 1 1 A 84 84 HIS N N 162 120.325 118.306 2.019 1
1 1052 . 10 1 1 A 85 85 LYS H H 163 7.951 7.907 0.044 1
1 1053 . 10 1 1 A 85 85 LYS HA H 163 3.383 3.920 -0.537 1
1 1062 . 10 1 1 A 85 85 LYS C C 163 177.303 179.530 -2.227 1
1 1063 . 10 1 1 A 85 85 LYS CA C 163 59.730 59.083 0.647 1
1 1064 . 10 1 1 A 85 85 LYS CB C 163 32.489 31.508 0.981 1
1 1068 . 10 1 1 A 85 85 LYS N N 163 116.598 118.360 -1.762 1
1 1069 . 10 1 1 A 86 86 SER H H 164 7.334 7.879 -0.545 1
1 1070 . 10 1 1 A 86 86 SER HA H 164 4.442 4.142 0.300 1
1 1073 . 10 1 1 A 86 86 SER C C 164 175.296 174.250 1.046 1
1 1074 . 10 1 1 A 86 86 SER CA C 164 59.708 60.705 -0.997 1
1 1075 . 10 1 1 A 86 86 SER CB C 164 64.669 62.876 1.793 1
1 1076 . 10 1 1 A 86 86 SER N N 164 113.922 113.724 0.198 1
1 1077 . 10 1 1 A 87 87 TYR H H 165 7.321 7.368 -0.047 1
1 1078 . 10 1 1 A 87 87 TYR HA H 165 5.037 4.673 0.364 1
1 1085 . 10 1 1 A 87 87 TYR C C 165 175.143 175.740 -0.597 1
1 1086 . 10 1 1 A 87 87 TYR CA C 165 54.570 58.571 -4.001 1
1 1087 . 10 1 1 A 87 87 TYR CB C 165 36.575 38.843 -2.268 1
1 1092 . 10 1 1 A 87 87 TYR N N 165 123.163 119.655 3.508 1
1 1093 . 10 1 1 A 88 88 ARG H H 166 7.263 8.550 -1.287 1
1 1094 . 10 1 1 A 88 88 ARG HA H 166 4.264 4.457 -0.193 1
1 1102 . 10 1 1 A 88 88 ARG C C 166 177.455 175.924 1.531 1
1 1103 . 10 1 1 A 88 88 ARG CA C 166 58.086 55.198 2.888 1
1 1104 . 10 1 1 A 88 88 ARG CB C 166 30.702 31.017 -0.315 1
1 1107 . 10 1 1 A 88 88 ARG N N 166 119.334 124.292 -4.958 1
1 1108 . 10 1 1 A 89 89 SER H H 167 10.206 8.738 1.468 1
1 1109 . 10 1 1 A 89 89 SER HA H 167 4.265 4.536 -0.271 1
1 1112 . 10 1 1 A 89 89 SER C C 167 174.371 173.868 0.503 1
1 1113 . 10 1 1 A 89 89 SER CA C 167 60.818 58.178 2.640 1
1 1114 . 10 1 1 A 89 89 SER CB C 167 62.576 61.530 1.046 1
1 1115 . 10 1 1 A 89 89 SER N N 167 121.486 114.378 7.108 1
1 1116 . 10 1 1 A 90 90 MET H H 168 8.409 9.458 -1.049 1
1 1117 . 10 1 1 A 90 90 MET HA H 168 4.531 4.765 -0.234 1
1 1125 . 10 1 1 A 90 90 MET C C 168 177.396 175.680 1.716 1
1 1126 . 10 1 1 A 90 90 MET CA C 168 56.283 54.803 1.480 1
1 1127 . 10 1 1 A 90 90 MET CB C 168 35.048 33.984 1.064 1
1 1130 . 10 1 1 A 90 90 MET N N 168 124.849 123.952 0.897 1
1 1131 . 10 1 1 A 91 91 THR H H 169 8.981 9.267 -0.286 1
1 1132 . 10 1 1 A 91 91 THR HA H 169 4.589 5.040 -0.451 1
1 1137 . 10 1 1 A 91 91 THR C C 169 173.532 174.831 -1.299 1
1 1138 . 10 1 1 A 91 91 THR CA C 169 61.052 59.381 1.671 1
1 1139 . 10 1 1 A 91 91 THR CB C 169 68.249 69.404 -1.155 1
1 1141 . 10 1 1 A 91 91 THR N N 169 122.910 113.946 8.964 1
1 1142 . 10 1 1 A 92 92 PRO HA H 170 4.151 4.187 -0.036 1
1 1147 . 10 1 1 A 92 92 PRO C C 170 177.481 178.280 -0.799 1
1 1148 . 10 1 1 A 92 92 PRO CA C 170 66.599 66.033 0.566 1
1 1149 . 10 1 1 A 92 92 PRO CB C 170 31.740 31.448 0.292 1
1 1151 . 10 1 1 A 93 93 ALA H H 171 7.833 8.349 -0.516 1
1 1152 . 10 1 1 A 93 93 ALA HA H 171 4.135 3.989 0.146 1
1 1156 . 10 1 1 A 93 93 ALA C C 171 180.982 180.499 0.483 1
1 1157 . 10 1 1 A 93 93 ALA CA C 171 54.982 55.396 -0.414 1
1 1158 . 10 1 1 A 93 93 ALA CB C 171 18.373 18.542 -0.169 1
1 1159 . 10 1 1 A 93 93 ALA N N 171 115.945 118.256 -2.311 1
1 1160 . 10 1 1 A 94 94 GLN H H 172 7.868 8.185 -0.317 1
1 1161 . 10 1 1 A 94 94 GLN HA H 172 3.911 3.953 -0.042 1
1 1168 . 10 1 1 A 94 94 GLN C C 172 178.279 178.238 0.041 1
1 1169 . 10 1 1 A 94 94 GLN CA C 172 58.547 58.644 -0.097 1
1 1170 . 10 1 1 A 94 94 GLN CB C 172 28.318 28.270 0.048 1
1 1172 . 10 1 1 A 94 94 GLN N N 172 118.910 117.679 1.231 1
1 1174 . 10 1 1 A 95 95 ALA H H 173 8.459 7.769 0.690 1
1 1175 . 10 1 1 A 95 95 ALA HA H 173 4.066 3.831 0.235 1
1 1179 . 10 1 1 A 95 95 ALA C C 173 179.362 180.111 -0.749 1
1 1180 . 10 1 1 A 95 95 ALA CA C 173 55.413 55.225 0.188 1
1 1181 . 10 1 1 A 95 95 ALA CB C 173 17.730 18.212 -0.482 1
1 1182 . 10 1 1 A 95 95 ALA N N 173 123.672 122.367 1.305 1
1 1183 . 10 1 1 A 96 96 ASP H H 174 8.541 8.188 0.353 1
1 1184 . 10 1 1 A 96 96 ASP HA H 174 4.317 4.360 -0.043 1
1 1187 . 10 1 1 A 96 96 ASP C C 174 178.340 178.569 -0.229 1
1 1188 . 10 1 1 A 96 96 ASP CA C 174 57.230 57.429 -0.199 1
1 1189 . 10 1 1 A 96 96 ASP CB C 174 40.024 40.416 -0.392 1
1 1190 . 10 1 1 A 96 96 ASP N N 174 119.397 119.621 -0.224 1
1 1191 . 10 1 1 A 97 97 LEU H H 175 7.798 7.904 -0.106 1
1 1192 . 10 1 1 A 97 97 LEU HA H 175 3.968 4.110 -0.142 1
1 1202 . 10 1 1 A 97 97 LEU C C 175 179.822 178.557 1.265 1
1 1203 . 10 1 1 A 97 97 LEU CA C 175 58.737 57.129 1.608 1
1 1204 . 10 1 1 A 97 97 LEU CB C 175 41.661 41.523 0.138 1
1 1208 . 10 1 1 A 97 97 LEU N N 175 120.724 119.848 0.876 1
1 1209 . 10 1 1 A 98 98 GLU H H 176 8.172 8.373 -0.201 1
1 1210 . 10 1 1 A 98 98 GLU HA H 176 3.885 3.701 0.184 1
1 1215 . 10 1 1 A 98 98 GLU C C 176 180.447 179.013 1.434 1
1 1216 . 10 1 1 A 98 98 GLU CA C 176 58.870 59.477 -0.607 1
1 1217 . 10 1 1 A 98 98 GLU CB C 176 27.413 28.395 -0.982 1
1 1219 . 10 1 1 A 98 98 GLU N N 176 119.724 118.981 0.743 1
1 1220 . 10 1 1 A 99 99 PHE H H 177 8.542 7.620 0.922 1
1 1221 . 10 1 1 A 99 99 PHE HA H 177 3.819 4.135 -0.316 1
1 1229 . 10 1 1 A 99 99 PHE C C 177 176.805 177.051 -0.246 1
1 1230 . 10 1 1 A 99 99 PHE CA C 177 62.277 61.311 0.966 1
1 1231 . 10 1 1 A 99 99 PHE CB C 177 38.948 39.187 -0.239 1
1 1237 . 10 1 1 A 99 99 PHE N N 177 123.837 121.275 2.562 1
1 1238 . 10 1 1 A 100 100 LEU H H 178 8.532 8.401 0.131 1
1 1239 . 10 1 1 A 100 100 LEU HA H 178 4.028 3.914 0.114 1
1 1249 . 10 1 1 A 100 100 LEU C C 178 179.884 179.378 0.506 1
1 1250 . 10 1 1 A 100 100 LEU CA C 178 58.046 58.133 -0.087 1
1 1251 . 10 1 1 A 100 100 LEU CB C 178 41.419 41.486 -0.067 1
1 1255 . 10 1 1 A 100 100 LEU N N 178 119.496 119.116 0.380 1
1 1256 . 10 1 1 A 101 101 GLU H H 179 8.769 8.557 0.212 1
1 1257 . 10 1 1 A 101 101 GLU HA H 179 4.043 3.979 0.064 1
1 1262 . 10 1 1 A 101 101 GLU C C 179 179.881 179.418 0.463 1
1 1263 . 10 1 1 A 101 101 GLU CA C 179 59.465 59.735 -0.270 1
1 1264 . 10 1 1 A 101 101 GLU CB C 179 29.478 29.050 0.428 1
1 1266 . 10 1 1 A 101 101 GLU N N 179 120.825 118.598 2.227 1
1 1267 . 10 1 1 A 102 102 ASN H H 180 7.865 7.759 0.106 1
1 1268 . 10 1 1 A 102 102 ASN HA H 180 4.329 4.395 -0.066 1
1 1273 . 10 1 1 A 102 102 ASN C C 180 176.692 177.469 -0.777 1
1 1274 . 10 1 1 A 102 102 ASN CA C 180 57.537 55.786 1.751 1
1 1275 . 10 1 1 A 102 102 ASN CB C 180 40.085 38.272 1.813 1
1 1276 . 10 1 1 A 102 102 ASN N N 180 116.591 118.390 -1.799 1
1 1278 . 10 1 1 A 103 103 ALA H H 181 8.744 8.314 0.430 1
1 1279 . 10 1 1 A 103 103 ALA HA H 181 4.130 3.901 0.229 1
1 1283 . 10 1 1 A 103 103 ALA C C 181 179.546 179.429 0.117 1
1 1284 . 10 1 1 A 103 103 ALA CA C 181 55.148 54.926 0.222 1
1 1285 . 10 1 1 A 103 103 ALA CB C 181 18.154 18.317 -0.163 1
1 1286 . 10 1 1 A 103 103 ALA N N 181 122.431 122.244 0.187 1
1 1287 . 10 1 1 A 104 104 LYS H H 182 8.493 7.833 0.660 1
1 1288 . 10 1 1 A 104 104 LYS HA H 182 3.786 3.906 -0.120 1
1 1297 . 10 1 1 A 104 104 LYS C C 182 180.012 178.904 1.108 1
1 1298 . 10 1 1 A 104 104 LYS CA C 182 58.547 59.207 -0.660 1
1 1299 . 10 1 1 A 104 104 LYS CB C 182 31.194 31.947 -0.753 1
1 1303 . 10 1 1 A 104 104 LYS N N 182 119.195 117.977 1.218 1
1 1304 . 10 1 1 A 105 105 LYS H H 183 7.661 7.613 0.048 1
1 1305 . 10 1 1 A 105 105 LYS HA H 183 4.111 4.067 0.044 1
1 1314 . 10 1 1 A 105 105 LYS C C 183 178.010 177.981 0.029 1
1 1315 . 10 1 1 A 105 105 LYS CA C 183 58.823 58.520 0.303 1
1 1316 . 10 1 1 A 105 105 LYS CB C 183 32.287 32.445 -0.158 1
1 1320 . 10 1 1 A 105 105 LYS N N 183 120.301 118.457 1.844 1
1 1321 . 10 1 1 A 106 106 LEU H H 184 7.403 7.124 0.279 1
1 1322 . 10 1 1 A 106 106 LEU HA H 184 4.385 4.373 0.012 1
1 1331 . 10 1 1 A 106 106 LEU C C 184 176.332 176.081 0.251 1
1 1332 . 10 1 1 A 106 106 LEU CA C 184 54.857 54.656 0.201 1
1 1333 . 10 1 1 A 106 106 LEU CB C 184 42.054 42.513 -0.459 1
1 1336 . 10 1 1 A 106 106 LEU N N 184 118.606 118.868 -0.262 1
1 1337 . 10 1 1 A 107 107 SER H H 185 8.123 7.820 0.303 1
1 1338 . 10 1 1 A 107 107 SER HA H 185 4.202 4.101 0.101 1
1 1341 . 10 1 1 A 107 107 SER C C 185 174.826 174.387 0.439 1
1 1342 . 10 1 1 A 107 107 SER CA C 185 58.894 58.828 0.066 1
1 1343 . 10 1 1 A 107 107 SER CB C 185 61.684 61.130 0.554 1
1 1344 . 10 1 1 A 107 107 SER N N 185 113.023 113.202 -0.179 1
1 1345 . 10 1 1 A 108 108 MET H H 186 8.212 8.193 0.019 1
1 1346 . 10 1 1 A 108 108 MET HA H 186 4.188 4.724 -0.536 1
1 1354 . 10 1 1 A 108 108 MET C C 186 174.495 176.183 -1.688 1
1 1355 . 10 1 1 A 108 108 MET CA C 186 57.328 56.550 0.778 1
1 1356 . 10 1 1 A 108 108 MET CB C 186 33.414 34.674 -1.260 1
1 1359 . 10 1 1 A 108 108 MET N N 186 117.267 117.666 -0.399 1
1 4 . 11 1 1 A 2 2 SER HA H 80 4.477 5.061 -0.584 1
1 7 . 11 1 1 A 2 2 SER CA C 80 58.344 57.324 1.020 1
1 8 . 11 1 1 A 2 2 SER CB C 80 64.002 64.560 -0.558 1
1 9 . 11 1 1 A 3 3 HIS HA H 81 4.614 4.815 -0.201 1
1 13 . 11 1 1 A 3 3 HIS C C 81 174.681 175.117 -0.436 1
1 14 . 11 1 1 A 3 3 HIS CA C 81 56.231 57.348 -1.117 1
1 15 . 11 1 1 A 3 3 HIS CB C 81 29.839 32.047 -2.208 1
1 17 . 11 1 1 A 4 4 MET H H 82 8.285 8.258 0.027 1
1 18 . 11 1 1 A 4 4 MET HA H 82 4.416 4.821 -0.405 1
1 26 . 11 1 1 A 4 4 MET C C 82 175.286 174.289 0.997 1
1 27 . 11 1 1 A 4 4 MET CA C 82 55.165 53.634 1.531 1
1 28 . 11 1 1 A 4 4 MET CB C 82 32.988 34.875 -1.887 1
1 31 . 11 1 1 A 4 4 MET N N 82 121.559 116.835 4.724 1
1 32 . 11 1 1 A 5 5 ASP H H 83 8.362 8.674 -0.312 1
1 33 . 11 1 1 A 5 5 ASP HA H 83 4.844 5.214 -0.370 1
1 36 . 11 1 1 A 5 5 ASP C C 83 175.239 175.264 -0.025 1
1 37 . 11 1 1 A 5 5 ASP CA C 83 52.238 50.237 2.001 1
1 38 . 11 1 1 A 5 5 ASP CB C 83 41.471 42.759 -1.288 1
1 39 . 11 1 1 A 5 5 ASP N N 83 124.060 119.464 4.596 1
1 40 . 11 1 1 A 6 6 PRO HA H 84 4.327 4.429 -0.102 1
1 47 . 11 1 1 A 6 6 PRO C C 84 177.388 177.806 -0.418 1
1 48 . 11 1 1 A 6 6 PRO CA C 84 64.084 64.551 -0.467 1
1 49 . 11 1 1 A 6 6 PRO CB C 84 32.022 31.980 0.042 1
1 52 . 11 1 1 A 7 7 ALA H H 85 8.406 7.668 0.738 1
1 53 . 11 1 1 A 7 7 ALA HA H 85 4.239 4.171 0.068 1
1 57 . 11 1 1 A 7 7 ALA C C 85 178.462 177.531 0.931 1
1 58 . 11 1 1 A 7 7 ALA CA C 85 53.223 54.997 -1.774 1
1 59 . 11 1 1 A 7 7 ALA CB C 85 18.801 19.507 -0.706 1
1 60 . 11 1 1 A 7 7 ALA N N 85 121.868 118.468 3.400 1
1 61 . 11 1 1 A 8 8 GLN H H 86 7.985 7.858 0.127 1
1 62 . 11 1 1 A 8 8 GLN HA H 86 4.264 4.013 0.251 1
1 69 . 11 1 1 A 8 8 GLN C C 86 176.124 175.503 0.621 1
1 70 . 11 1 1 A 8 8 GLN CA C 86 56.101 56.782 -0.681 1
1 71 . 11 1 1 A 8 8 GLN CB C 86 29.456 26.158 3.298 1
1 73 . 11 1 1 A 8 8 GLN N N 86 117.727 113.095 4.632 1
1 75 . 11 1 1 A 9 9 LEU H H 87 8.102 7.919 0.183 1
1 76 . 11 1 1 A 9 9 LEU HA H 87 4.394 3.993 0.401 1
1 86 . 11 1 1 A 9 9 LEU C C 87 177.923 178.866 -0.943 1
1 87 . 11 1 1 A 9 9 LEU CA C 87 55.454 57.712 -2.258 1
1 88 . 11 1 1 A 9 9 LEU CB C 87 42.188 41.856 0.332 1
1 92 . 11 1 1 A 9 9 LEU N N 87 122.045 118.725 3.320 1
1 93 . 11 1 1 A 10 10 THR H H 88 7.902 8.117 -0.215 1
1 94 . 11 1 1 A 10 10 THR HA H 88 4.258 3.799 0.459 1
1 99 . 11 1 1 A 10 10 THR C C 88 175.742 176.485 -0.743 1
1 100 . 11 1 1 A 10 10 THR CA C 88 62.974 66.961 -3.987 1
1 101 . 11 1 1 A 10 10 THR CB C 88 69.759 68.768 0.991 1
1 103 . 11 1 1 A 10 10 THR N N 88 113.859 113.883 -0.024 1
1 104 . 11 1 1 A 11 11 GLU H H 89 8.594 8.597 -0.003 1
1 105 . 11 1 1 A 11 11 GLU HA H 89 4.213 3.968 0.245 1
1 110 . 11 1 1 A 11 11 GLU C C 89 177.577 178.925 -1.348 1
1 111 . 11 1 1 A 11 11 GLU CA C 89 58.496 60.294 -1.798 1
1 112 . 11 1 1 A 11 11 GLU CB C 89 29.751 29.057 0.694 1
1 114 . 11 1 1 A 11 11 GLU N N 89 122.144 119.339 2.805 1
1 115 . 11 1 1 A 12 12 ASP H H 90 8.244 7.873 0.371 1
1 116 . 11 1 1 A 12 12 ASP HA H 90 4.419 4.446 -0.027 1
1 119 . 11 1 1 A 12 12 ASP C C 90 178.623 178.476 0.147 1
1 120 . 11 1 1 A 12 12 ASP CA C 90 56.589 57.327 -0.738 1
1 121 . 11 1 1 A 12 12 ASP CB C 90 40.332 41.005 -0.673 1
1 122 . 11 1 1 A 12 12 ASP N N 90 119.922 119.398 0.524 1
1 123 . 11 1 1 A 13 13 ILE H H 91 8.092 7.957 0.135 1
1 124 . 11 1 1 A 13 13 ILE HA H 91 3.987 3.739 0.248 1
1 134 . 11 1 1 A 13 13 ILE C C 91 177.124 178.427 -1.303 1
1 135 . 11 1 1 A 13 13 ILE CA C 91 63.562 65.198 -1.636 1
1 136 . 11 1 1 A 13 13 ILE CB C 91 37.830 37.531 0.299 1
1 140 . 11 1 1 A 13 13 ILE N N 91 122.909 119.106 3.803 1
1 141 . 11 1 1 A 14 14 THR H H 92 8.045 8.586 -0.541 1
1 142 . 11 1 1 A 14 14 THR HA H 92 4.040 3.902 0.138 1
1 147 . 11 1 1 A 14 14 THR C C 92 177.358 177.048 0.310 1
1 148 . 11 1 1 A 14 14 THR CA C 92 66.244 65.502 0.742 1
1 149 . 11 1 1 A 14 14 THR CB C 92 68.629 69.009 -0.380 1
1 151 . 11 1 1 A 14 14 THR N N 92 116.529 114.712 1.817 1
1 152 . 11 1 1 A 15 15 ARG H H 93 7.984 8.133 -0.149 1
1 153 . 11 1 1 A 15 15 ARG HA H 93 3.974 3.998 -0.024 1
1 161 . 11 1 1 A 15 15 ARG C C 93 177.719 178.128 -0.409 1
1 162 . 11 1 1 A 15 15 ARG CA C 93 60.312 59.598 0.714 1
1 163 . 11 1 1 A 15 15 ARG CB C 93 30.591 29.773 0.818 1
1 166 . 11 1 1 A 15 15 ARG N N 93 121.521 121.156 0.365 1
1 167 . 11 1 1 A 16 16 TYR H H 94 7.948 7.972 -0.024 1
1 168 . 11 1 1 A 16 16 TYR HA H 94 4.045 4.359 -0.314 1
1 175 . 11 1 1 A 16 16 TYR C C 94 177.690 177.357 0.333 1
1 176 . 11 1 1 A 16 16 TYR CA C 94 61.568 61.431 0.137 1
1 177 . 11 1 1 A 16 16 TYR CB C 94 37.543 38.536 -0.993 1
1 182 . 11 1 1 A 16 16 TYR N N 94 120.911 120.392 0.519 1
1 183 . 11 1 1 A 17 17 TYR H H 95 8.143 8.321 -0.178 1
1 184 . 11 1 1 A 17 17 TYR HA H 95 4.049 4.159 -0.110 1
1 191 . 11 1 1 A 17 17 TYR C C 95 179.000 178.472 0.528 1
1 192 . 11 1 1 A 17 17 TYR CA C 95 61.454 61.172 0.282 1
1 193 . 11 1 1 A 17 17 TYR CB C 95 37.483 37.462 0.021 1
1 198 . 11 1 1 A 17 17 TYR N N 95 117.066 117.969 -0.903 1
1 199 . 11 1 1 A 18 18 LEU H H 96 7.976 8.532 -0.556 1
1 200 . 11 1 1 A 18 18 LEU HA H 96 4.203 4.210 -0.007 1
1 210 . 11 1 1 A 18 18 LEU C C 96 178.998 178.328 0.670 1
1 211 . 11 1 1 A 18 18 LEU CA C 96 58.097 57.943 0.154 1
1 212 . 11 1 1 A 18 18 LEU CB C 96 41.814 41.959 -0.145 1
1 216 . 11 1 1 A 18 18 LEU N N 96 123.012 121.329 1.683 1
1 217 . 11 1 1 A 19 19 CYS H H 97 8.163 8.743 -0.580 1
1 218 . 11 1 1 A 19 19 CYS HA H 97 3.783 4.125 -0.342 1
1 221 . 11 1 1 A 19 19 CYS C C 97 176.663 177.186 -0.523 1
1 222 . 11 1 1 A 19 19 CYS CA C 97 64.973 63.413 1.560 1
1 223 . 11 1 1 A 19 19 CYS CB C 97 25.966 27.330 -1.364 1
1 224 . 11 1 1 A 19 19 CYS N N 97 117.202 117.260 -0.058 1
1 225 . 11 1 1 A 20 20 LEU H H 98 7.863 7.997 -0.134 1
1 226 . 11 1 1 A 20 20 LEU HA H 98 3.681 3.787 -0.106 1
1 236 . 11 1 1 A 20 20 LEU C C 98 179.392 179.244 0.148 1
1 237 . 11 1 1 A 20 20 LEU CA C 98 58.319 58.020 0.299 1
1 238 . 11 1 1 A 20 20 LEU CB C 98 41.944 41.063 0.881 1
1 242 . 11 1 1 A 20 20 LEU N N 98 118.833 120.631 -1.798 1
1 243 . 11 1 1 A 21 21 GLN H H 99 7.658 8.060 -0.402 1
1 244 . 11 1 1 A 21 21 GLN HA H 99 3.909 3.942 -0.033 1
1 251 . 11 1 1 A 21 21 GLN C C 99 178.326 178.620 -0.294 1
1 252 . 11 1 1 A 21 21 GLN CA C 99 58.704 59.032 -0.328 1
1 253 . 11 1 1 A 21 21 GLN CB C 99 28.630 28.297 0.333 1
1 255 . 11 1 1 A 21 21 GLN N N 99 118.958 118.450 0.508 1
1 257 . 11 1 1 A 22 22 LEU H H 100 8.214 8.773 -0.559 1
1 258 . 11 1 1 A 22 22 LEU HA H 100 4.150 3.948 0.202 1
1 268 . 11 1 1 A 22 22 LEU C C 100 179.438 179.071 0.367 1
1 269 . 11 1 1 A 22 22 LEU CA C 100 58.320 57.796 0.524 1
1 270 . 11 1 1 A 22 22 LEU CB C 100 42.816 41.536 1.280 1
1 274 . 11 1 1 A 22 22 LEU N N 100 119.829 120.496 -0.667 1
1 275 . 11 1 1 A 23 23 ARG H H 101 8.722 8.388 0.334 1
1 276 . 11 1 1 A 23 23 ARG HA H 101 3.946 3.987 -0.041 1
1 284 . 11 1 1 A 23 23 ARG C C 101 179.448 178.738 0.710 1
1 285 . 11 1 1 A 23 23 ARG CA C 101 60.910 59.143 1.767 1
1 286 . 11 1 1 A 23 23 ARG CB C 101 29.853 29.701 0.152 1
1 288 . 11 1 1 A 23 23 ARG N N 101 117.690 119.191 -1.501 1
1 289 . 11 1 1 A 24 24 GLN H H 102 7.804 7.689 0.115 1
1 290 . 11 1 1 A 24 24 GLN HA H 102 4.015 4.047 -0.032 1
1 297 . 11 1 1 A 24 24 GLN C C 102 178.951 178.614 0.337 1
1 298 . 11 1 1 A 24 24 GLN CA C 102 58.785 58.564 0.221 1
1 299 . 11 1 1 A 24 24 GLN CB C 102 28.263 28.147 0.116 1
1 301 . 11 1 1 A 24 24 GLN N N 102 117.686 118.724 -1.038 1
1 303 . 11 1 1 A 25 25 ASP H H 103 8.393 7.865 0.528 1
1 304 . 11 1 1 A 25 25 ASP HA H 103 4.414 4.477 -0.063 1
1 307 . 11 1 1 A 25 25 ASP C C 103 179.476 179.009 0.467 1
1 308 . 11 1 1 A 25 25 ASP CA C 103 57.753 57.421 0.332 1
1 309 . 11 1 1 A 25 25 ASP CB C 103 40.432 40.717 -0.285 1
1 310 . 11 1 1 A 25 25 ASP N N 103 122.118 119.492 2.626 1
1 311 . 11 1 1 A 26 26 ILE H H 104 8.737 7.655 1.082 1
1 312 . 11 1 1 A 26 26 ILE HA H 104 3.761 3.618 0.143 1
1 320 . 11 1 1 A 26 26 ILE C C 104 180.320 178.011 2.309 1
1 321 . 11 1 1 A 26 26 ILE CA C 104 65.902 65.043 0.859 1
1 322 . 11 1 1 A 26 26 ILE CB C 104 38.826 37.978 0.848 1
1 325 . 11 1 1 A 26 26 ILE N N 104 122.668 120.835 1.833 1
1 326 . 11 1 1 A 27 27 VAL H H 105 7.923 7.738 0.185 1
1 327 . 11 1 1 A 27 27 VAL HA H 105 3.077 3.901 -0.824 1
1 335 . 11 1 1 A 27 27 VAL C C 105 176.073 177.810 -1.737 1
1 336 . 11 1 1 A 27 27 VAL CA C 105 67.080 64.654 2.426 1
1 337 . 11 1 1 A 27 27 VAL CB C 105 31.450 31.483 -0.033 1
1 340 . 11 1 1 A 27 27 VAL N N 105 121.194 116.575 4.619 1
1 341 . 11 1 1 A 28 28 ALA H H 106 7.892 7.181 0.711 1
1 342 . 11 1 1 A 28 28 ALA HA H 106 4.286 4.305 -0.019 1
1 346 . 11 1 1 A 28 28 ALA C C 106 178.366 177.856 0.510 1
1 347 . 11 1 1 A 28 28 ALA CA C 106 52.572 52.002 0.570 1
1 348 . 11 1 1 A 28 28 ALA CB C 106 19.616 19.406 0.210 1
1 349 . 11 1 1 A 28 28 ALA N N 106 117.103 121.804 -4.701 1
1 350 . 11 1 1 A 29 29 GLY H H 107 7.670 8.026 -0.356 1
1 351 . 11 1 1 A 29 29 GLY HA2 H 107 4.181 3.908 0.273 1
1 352 . 11 1 1 A 29 29 GLY HA3 H 107 3.924 3.909 0.015 1
1 353 . 11 1 1 A 29 29 GLY C C 107 174.596 175.264 -0.668 1
1 354 . 11 1 1 A 29 29 GLY CA C 107 45.157 46.633 -1.476 1
1 355 . 11 1 1 A 29 29 GLY N N 107 105.038 107.318 -2.280 1
1 356 . 11 1 1 A 30 30 ARG H H 108 7.972 8.283 -0.311 1
1 357 . 11 1 1 A 30 30 ARG HA H 108 4.185 4.354 -0.169 1
1 365 . 11 1 1 A 30 30 ARG C C 108 175.874 175.217 0.657 1
1 366 . 11 1 1 A 30 30 ARG CA C 108 57.987 56.447 1.540 1
1 367 . 11 1 1 A 30 30 ARG CB C 108 31.218 30.914 0.304 1
1 370 . 11 1 1 A 30 30 ARG N N 108 118.333 118.181 0.152 1
1 371 . 11 1 1 A 31 31 LEU H H 109 6.696 7.449 -0.753 1
1 372 . 11 1 1 A 31 31 LEU HA H 109 4.939 4.760 0.179 1
1 382 . 11 1 1 A 31 31 LEU C C 109 173.324 173.910 -0.586 1
1 383 . 11 1 1 A 31 31 LEU CA C 109 50.930 51.712 -0.782 1
1 384 . 11 1 1 A 31 31 LEU CB C 109 43.480 45.596 -2.116 1
1 388 . 11 1 1 A 31 31 LEU N N 109 118.681 119.458 -0.777 1
1 389 . 11 1 1 A 32 32 PRO HA H 110 4.411 4.802 -0.391 1
1 396 . 11 1 1 A 32 32 PRO C C 110 176.694 176.098 0.596 1
1 397 . 11 1 1 A 32 32 PRO CA C 110 63.123 62.777 0.346 1
1 398 . 11 1 1 A 32 32 PRO CB C 110 32.022 31.694 0.328 1
1 401 . 11 1 1 A 33 33 CYS H H 111 8.273 8.496 -0.223 1
1 402 . 11 1 1 A 33 33 CYS HA H 111 4.834 5.084 -0.250 1
1 405 . 11 1 1 A 33 33 CYS C C 111 173.523 173.040 0.483 1
1 406 . 11 1 1 A 33 33 CYS CA C 111 57.890 57.914 -0.024 1
1 407 . 11 1 1 A 33 33 CYS CB C 111 32.282 32.889 -0.607 1
1 408 . 11 1 1 A 33 33 CYS N N 111 119.113 122.853 -3.740 1
1 409 . 11 1 1 A 34 34 SER H H 112 8.738 8.367 0.371 1
1 410 . 11 1 1 A 34 34 SER HA H 112 4.527 5.025 -0.498 1
1 413 . 11 1 1 A 34 34 SER C C 112 173.709 175.215 -1.506 1
1 414 . 11 1 1 A 34 34 SER CA C 112 57.256 55.935 1.321 1
1 415 . 11 1 1 A 34 34 SER CB C 112 65.433 66.407 -0.974 1
1 416 . 11 1 1 A 34 34 SER N N 112 118.212 114.836 3.376 1
1 417 . 11 1 1 A 35 35 PHE H H 113 9.027 9.359 -0.332 1
1 418 . 11 1 1 A 35 35 PHE HA H 113 4.047 4.061 -0.014 1
1 426 . 11 1 1 A 35 35 PHE C C 113 176.433 177.157 -0.724 1
1 427 . 11 1 1 A 35 35 PHE CA C 113 62.623 62.713 -0.090 1
1 428 . 11 1 1 A 35 35 PHE CB C 113 39.128 39.694 -0.566 1
1 434 . 11 1 1 A 35 35 PHE N N 113 122.209 122.363 -0.154 1
1 435 . 11 1 1 A 36 36 ALA H H 114 8.631 8.314 0.317 1
1 436 . 11 1 1 A 36 36 ALA HA H 114 3.926 3.959 -0.033 1
1 440 . 11 1 1 A 36 36 ALA C C 114 181.064 179.850 1.214 1
1 441 . 11 1 1 A 36 36 ALA CA C 114 55.300 55.137 0.163 1
1 442 . 11 1 1 A 36 36 ALA CB C 114 18.423 18.402 0.021 1
1 443 . 11 1 1 A 36 36 ALA N N 114 118.977 121.194 -2.217 1
1 444 . 11 1 1 A 37 37 THR H H 115 7.886 7.508 0.378 1
1 445 . 11 1 1 A 37 37 THR HA H 115 3.859 3.963 -0.104 1
1 450 . 11 1 1 A 37 37 THR C C 115 175.630 176.600 -0.970 1
1 451 . 11 1 1 A 37 37 THR CA C 115 66.294 66.799 -0.505 1
1 452 . 11 1 1 A 37 37 THR CB C 115 68.298 67.819 0.479 1
1 454 . 11 1 1 A 37 37 THR N N 115 117.602 114.851 2.751 1
1 455 . 11 1 1 A 38 38 LEU H H 116 8.740 8.134 0.606 1
1 456 . 11 1 1 A 38 38 LEU HA H 116 3.904 3.897 0.007 1
1 466 . 11 1 1 A 38 38 LEU C C 116 180.666 179.169 1.497 1
1 467 . 11 1 1 A 38 38 LEU CA C 116 58.166 57.916 0.250 1
1 468 . 11 1 1 A 38 38 LEU CB C 116 43.034 41.297 1.737 1
1 472 . 11 1 1 A 38 38 LEU N N 116 122.945 121.322 1.623 1
1 473 . 11 1 1 A 39 39 ALA H H 117 8.151 8.200 -0.049 1
1 474 . 11 1 1 A 39 39 ALA HA H 117 3.776 3.865 -0.089 1
1 478 . 11 1 1 A 39 39 ALA C C 117 178.461 179.726 -1.265 1
1 479 . 11 1 1 A 39 39 ALA CA C 117 53.839 54.901 -1.062 1
1 480 . 11 1 1 A 39 39 ALA CB C 117 17.406 18.075 -0.669 1
1 481 . 11 1 1 A 39 39 ALA N N 117 120.752 121.567 -0.815 1
1 482 . 11 1 1 A 40 40 LEU H H 118 7.801 7.980 -0.179 1
1 483 . 11 1 1 A 40 40 LEU HA H 118 3.892 3.982 -0.090 1
1 492 . 11 1 1 A 40 40 LEU C C 118 180.428 178.519 1.909 1
1 493 . 11 1 1 A 40 40 LEU CA C 118 57.978 57.852 0.126 1
1 494 . 11 1 1 A 40 40 LEU CB C 118 42.699 41.909 0.790 1
1 497 . 11 1 1 A 40 40 LEU N N 118 119.699 120.139 -0.440 1
1 498 . 11 1 1 A 41 41 LEU H H 119 9.153 8.867 0.286 1
1 499 . 11 1 1 A 41 41 LEU HA H 119 4.181 4.421 -0.240 1
1 509 . 11 1 1 A 41 41 LEU C C 119 179.132 179.395 -0.263 1
1 510 . 11 1 1 A 41 41 LEU CA C 119 58.696 58.327 0.369 1
1 511 . 11 1 1 A 41 41 LEU CB C 119 39.102 41.859 -2.757 1
1 515 . 11 1 1 A 41 41 LEU N N 119 118.687 119.330 -0.643 1
1 516 . 11 1 1 A 42 42 GLY H H 120 8.253 8.086 0.167 1
1 517 . 11 1 1 A 42 42 GLY HA2 H 120 4.016 3.817 0.199 1
1 518 . 11 1 1 A 42 42 GLY HA3 H 120 3.610 3.831 -0.221 1
1 519 . 11 1 1 A 42 42 GLY C C 120 175.046 176.472 -1.426 1
1 520 . 11 1 1 A 42 42 GLY CA C 120 48.060 47.452 0.608 1
1 521 . 11 1 1 A 42 42 GLY N N 120 106.562 106.887 -0.325 1
1 522 . 11 1 1 A 43 43 SER H H 121 8.456 8.198 0.258 1
1 523 . 11 1 1 A 43 43 SER HA H 121 3.928 4.065 -0.137 1
1 526 . 11 1 1 A 43 43 SER C C 121 175.318 176.162 -0.844 1
1 527 . 11 1 1 A 43 43 SER CA C 121 62.651 62.884 -0.233 1
1 528 . 11 1 1 A 43 43 SER CB C 121 62.722 63.269 -0.547 1
1 529 . 11 1 1 A 43 43 SER N N 121 117.787 118.727 -0.940 1
1 530 . 11 1 1 A 44 44 TYR H H 122 7.311 7.562 -0.251 1
1 531 . 11 1 1 A 44 44 TYR HA H 122 4.635 4.268 0.367 1
1 538 . 11 1 1 A 44 44 TYR C C 122 178.731 178.205 0.526 1
1 539 . 11 1 1 A 44 44 TYR CA C 122 61.704 60.656 1.048 1
1 540 . 11 1 1 A 44 44 TYR CB C 122 38.809 38.000 0.809 1
1 545 . 11 1 1 A 44 44 TYR N N 122 123.923 120.356 3.567 1
1 546 . 11 1 1 A 45 45 THR H H 123 8.748 8.152 0.596 1
1 547 . 11 1 1 A 45 45 THR HA H 123 3.747 3.902 -0.155 1
1 552 . 11 1 1 A 45 45 THR C C 123 175.781 176.521 -0.740 1
1 553 . 11 1 1 A 45 45 THR CA C 123 67.015 67.086 -0.071 1
1 554 . 11 1 1 A 45 45 THR CB C 123 67.670 68.342 -0.672 1
1 556 . 11 1 1 A 45 45 THR N N 123 121.374 114.952 6.422 1
1 557 . 11 1 1 A 46 46 ILE H H 124 8.131 8.163 -0.032 1
1 558 . 11 1 1 A 46 46 ILE HA H 124 3.161 3.308 -0.147 1
1 568 . 11 1 1 A 46 46 ILE C C 124 177.130 177.936 -0.806 1
1 569 . 11 1 1 A 46 46 ILE CA C 124 62.478 65.528 -3.050 1
1 570 . 11 1 1 A 46 46 ILE CB C 124 35.268 37.709 -2.441 1
1 574 . 11 1 1 A 46 46 ILE N N 124 119.593 121.618 -2.025 1
1 575 . 11 1 1 A 47 47 GLN H H 125 7.871 7.882 -0.011 1
1 576 . 11 1 1 A 47 47 GLN HA H 125 4.110 3.680 0.430 1
1 583 . 11 1 1 A 47 47 GLN C C 125 178.150 177.952 0.198 1
1 584 . 11 1 1 A 47 47 GLN CA C 125 58.333 58.415 -0.082 1
1 585 . 11 1 1 A 47 47 GLN CB C 125 27.448 27.805 -0.357 1
1 587 . 11 1 1 A 47 47 GLN N N 125 121.155 120.376 0.779 1
1 589 . 11 1 1 A 48 48 SER H H 126 8.194 8.019 0.175 1
1 590 . 11 1 1 A 48 48 SER HA H 126 4.055 4.331 -0.276 1
1 593 . 11 1 1 A 48 48 SER C C 126 176.209 176.320 -0.111 1
1 594 . 11 1 1 A 48 48 SER CA C 126 60.823 61.178 -0.355 1
1 595 . 11 1 1 A 48 48 SER CB C 126 63.592 63.427 0.165 1
1 596 . 11 1 1 A 48 48 SER N N 126 111.964 116.991 -5.027 1
1 597 . 11 1 1 A 49 49 GLU H H 127 8.009 8.213 -0.204 1
1 598 . 11 1 1 A 49 49 GLU HA H 127 4.296 4.261 0.035 1
1 603 . 11 1 1 A 49 49 GLU C C 127 178.319 178.044 0.275 1
1 604 . 11 1 1 A 49 49 GLU CA C 127 58.376 58.700 -0.324 1
1 605 . 11 1 1 A 49 49 GLU CB C 127 30.928 30.274 0.654 1
1 607 . 11 1 1 A 49 49 GLU N N 127 116.052 121.346 -5.294 1
1 608 . 11 1 1 A 50 50 LEU H H 128 8.916 8.332 0.584 1
1 609 . 11 1 1 A 50 50 LEU HA H 128 4.549 4.604 -0.055 1
1 619 . 11 1 1 A 50 50 LEU C C 128 178.447 177.339 1.108 1
1 620 . 11 1 1 A 50 50 LEU CA C 128 55.159 54.603 0.556 1
1 621 . 11 1 1 A 50 50 LEU CB C 128 43.500 42.587 0.913 1
1 625 . 11 1 1 A 50 50 LEU N N 128 117.044 117.112 -0.068 1
1 626 . 11 1 1 A 51 51 GLY H H 129 7.710 8.345 -0.635 1
1 627 . 11 1 1 A 51 51 GLY HA2 H 129 4.261 3.938 0.323 1
1 628 . 11 1 1 A 51 51 GLY HA3 H 129 3.994 3.951 0.043 1
1 629 . 11 1 1 A 51 51 GLY C C 129 172.406 173.506 -1.100 1
1 630 . 11 1 1 A 51 51 GLY CA C 129 44.162 47.256 -3.094 1
1 631 . 11 1 1 A 51 51 GLY N N 129 109.110 106.371 2.739 1
1 632 . 11 1 1 A 52 52 ASP H H 130 8.131 8.054 0.077 1
1 633 . 11 1 1 A 52 52 ASP HA H 130 4.577 5.484 -0.907 1
1 636 . 11 1 1 A 52 52 ASP C C 130 176.862 174.605 2.257 1
1 637 . 11 1 1 A 52 52 ASP CA C 130 54.581 52.633 1.948 1
1 638 . 11 1 1 A 52 52 ASP CB C 130 41.028 44.481 -3.453 1
1 639 . 11 1 1 A 52 52 ASP N N 130 118.844 124.008 -5.164 1
1 640 . 11 1 1 A 53 53 TYR H H 131 8.732 8.980 -0.248 1
1 641 . 11 1 1 A 53 53 TYR HA H 131 4.410 4.244 0.166 1
1 648 . 11 1 1 A 53 53 TYR C C 131 174.929 174.007 0.922 1
1 649 . 11 1 1 A 53 53 TYR CA C 131 58.452 57.964 0.488 1
1 650 . 11 1 1 A 53 53 TYR CB C 131 37.536 38.334 -0.798 1
1 655 . 11 1 1 A 53 53 TYR N N 131 121.518 122.497 -0.979 1
1 656 . 11 1 1 A 54 54 ASP H H 132 9.981 8.086 1.895 1
1 657 . 11 1 1 A 54 54 ASP HA H 132 4.652 5.304 -0.652 1
1 660 . 11 1 1 A 54 54 ASP CA C 132 49.843 51.476 -1.633 1
1 661 . 11 1 1 A 54 54 ASP CB C 132 42.737 41.745 0.992 1
1 662 . 11 1 1 A 54 54 ASP N N 132 132.995 127.578 5.417 1
1 663 . 11 1 1 A 55 55 PRO HA H 133 4.117 4.582 -0.465 1
1 670 . 11 1 1 A 55 55 PRO C C 133 178.353 178.249 0.104 1
1 671 . 11 1 1 A 55 55 PRO CA C 133 64.216 64.498 -0.282 1
1 672 . 11 1 1 A 55 55 PRO CB C 133 32.133 32.225 -0.092 1
1 675 . 11 1 1 A 56 56 GLU H H 134 7.968 9.069 -1.101 1
1 676 . 11 1 1 A 56 56 GLU HA H 134 4.047 4.056 -0.009 1
1 681 . 11 1 1 A 56 56 GLU C C 134 177.001 178.649 -1.648 1
1 682 . 11 1 1 A 56 56 GLU CA C 134 57.984 58.930 -0.946 1
1 683 . 11 1 1 A 56 56 GLU CB C 134 29.667 28.395 1.272 1
1 685 . 11 1 1 A 56 56 GLU N N 134 116.491 116.442 0.049 1
1 686 . 11 1 1 A 57 57 LEU H H 135 7.137 7.294 -0.157 1
1 687 . 11 1 1 A 57 57 LEU HA H 135 4.186 4.012 0.174 1
1 697 . 11 1 1 A 57 57 LEU C C 135 177.695 176.365 1.330 1
1 698 . 11 1 1 A 57 57 LEU CA C 135 55.372 56.333 -0.961 1
1 699 . 11 1 1 A 57 57 LEU CB C 135 43.889 43.270 0.619 1
1 703 . 11 1 1 A 57 57 LEU N N 135 118.254 119.202 -0.948 1
1 704 . 11 1 1 A 58 58 HIS H H 136 8.121 7.132 0.989 1
1 705 . 11 1 1 A 58 58 HIS HA H 136 4.560 5.101 -0.541 1
1 709 . 11 1 1 A 58 58 HIS C C 136 176.135 173.884 2.251 1
1 710 . 11 1 1 A 58 58 HIS CA C 136 56.134 54.560 1.574 1
1 711 . 11 1 1 A 58 58 HIS CB C 136 31.534 34.493 -2.959 1
1 713 . 11 1 1 A 58 58 HIS N N 136 120.254 114.476 5.778 1
1 714 . 11 1 1 A 59 59 GLY H H 137 7.890 8.451 -0.561 1
1 715 . 11 1 1 A 59 59 GLY HA2 H 137 4.166 4.115 0.051 1
1 716 . 11 1 1 A 59 59 GLY HA3 H 137 3.990 4.141 -0.151 1
1 717 . 11 1 1 A 59 59 GLY C C 137 175.021 173.518 1.503 1
1 718 . 11 1 1 A 59 59 GLY CA C 137 45.431 45.983 -0.552 1
1 719 . 11 1 1 A 59 59 GLY N N 137 108.183 108.158 0.025 1
1 720 . 11 1 1 A 60 60 VAL H H 138 8.519 9.462 -0.943 1
1 721 . 11 1 1 A 60 60 VAL HA H 138 4.503 3.956 0.547 1
1 729 . 11 1 1 A 60 60 VAL C C 138 176.419 174.876 1.543 1
1 730 . 11 1 1 A 60 60 VAL CA C 138 62.905 63.419 -0.514 1
1 731 . 11 1 1 A 60 60 VAL CB C 138 32.421 30.557 1.864 1
1 734 . 11 1 1 A 60 60 VAL N N 138 116.738 125.003 -8.265 1
1 735 . 11 1 1 A 61 61 ASP H H 139 8.525 8.483 0.042 1
1 736 . 11 1 1 A 61 61 ASP HA H 139 4.959 4.165 0.794 1
1 739 . 11 1 1 A 61 61 ASP C C 139 177.816 176.257 1.559 1
1 740 . 11 1 1 A 61 61 ASP CA C 139 54.278 55.666 -1.388 1
1 741 . 11 1 1 A 61 61 ASP CB C 139 40.771 39.134 1.637 1
1 742 . 11 1 1 A 61 61 ASP N N 139 120.408 124.151 -3.743 1
1 743 . 11 1 1 A 62 62 TYR H H 140 7.553 8.225 -0.672 1
1 744 . 11 1 1 A 62 62 TYR HA H 140 4.611 4.466 0.145 1
1 751 . 11 1 1 A 62 62 TYR C C 140 176.791 176.832 -0.041 1
1 752 . 11 1 1 A 62 62 TYR CA C 140 59.811 59.607 0.204 1
1 753 . 11 1 1 A 62 62 TYR CB C 140 37.453 37.076 0.377 1
1 758 . 11 1 1 A 62 62 TYR N N 140 118.187 118.122 0.065 1
1 759 . 11 1 1 A 63 63 VAL H H 141 7.645 7.592 0.053 1
1 760 . 11 1 1 A 63 63 VAL HA H 141 3.861 3.912 -0.051 1
1 768 . 11 1 1 A 63 63 VAL C C 141 176.409 177.449 -1.040 1
1 769 . 11 1 1 A 63 63 VAL CA C 141 63.504 65.245 -1.741 1
1 770 . 11 1 1 A 63 63 VAL CB C 141 31.598 30.913 0.685 1
1 773 . 11 1 1 A 63 63 VAL N N 141 118.945 121.532 -2.587 1
1 774 . 11 1 1 A 64 64 SER H H 142 7.611 7.823 -0.212 1
1 775 . 11 1 1 A 64 64 SER HA H 142 4.234 4.253 -0.019 1
1 778 . 11 1 1 A 64 64 SER C C 142 175.035 175.946 -0.911 1
1 779 . 11 1 1 A 64 64 SER CA C 142 60.628 60.971 -0.343 1
1 780 . 11 1 1 A 64 64 SER CB C 142 63.183 62.983 0.200 1
1 781 . 11 1 1 A 64 64 SER N N 142 113.661 117.193 -3.532 1
1 782 . 11 1 1 A 65 65 ASP H H 143 7.440 7.749 -0.309 1
1 783 . 11 1 1 A 65 65 ASP HA H 143 4.568 4.478 0.090 1
1 786 . 11 1 1 A 65 65 ASP C C 143 175.376 176.233 -0.857 1
1 787 . 11 1 1 A 65 65 ASP CA C 143 55.077 55.705 -0.628 1
1 788 . 11 1 1 A 65 65 ASP CB C 143 40.913 41.470 -0.557 1
1 789 . 11 1 1 A 65 65 ASP N N 143 118.332 120.079 -1.747 1
1 790 . 11 1 1 A 66 66 PHE H H 144 8.115 7.745 0.370 1
1 791 . 11 1 1 A 66 66 PHE HA H 144 4.369 4.788 -0.419 1
1 798 . 11 1 1 A 66 66 PHE C C 144 174.524 175.376 -0.852 1
1 799 . 11 1 1 A 66 66 PHE CA C 144 57.705 57.587 0.118 1
1 800 . 11 1 1 A 66 66 PHE CB C 144 41.033 40.551 0.482 1
1 805 . 11 1 1 A 66 66 PHE N N 144 120.277 117.002 3.275 1
1 806 . 11 1 1 A 67 67 LYS H H 145 8.688 8.779 -0.091 1
1 807 . 11 1 1 A 67 67 LYS HA H 145 4.671 4.467 0.204 1
1 816 . 11 1 1 A 67 67 LYS C C 145 175.437 176.229 -0.792 1
1 817 . 11 1 1 A 67 67 LYS CA C 145 55.418 55.421 -0.003 1
1 818 . 11 1 1 A 67 67 LYS CB C 145 31.784 31.642 0.142 1
1 822 . 11 1 1 A 67 67 LYS N N 145 122.931 124.290 -1.359 1
1 823 . 11 1 1 A 68 68 LEU H H 146 9.642 8.535 1.107 1
1 824 . 11 1 1 A 68 68 LEU HA H 146 4.484 4.418 0.066 1
1 834 . 11 1 1 A 68 68 LEU C C 146 175.512 176.599 -1.087 1
1 835 . 11 1 1 A 68 68 LEU CA C 146 54.375 55.723 -1.348 1
1 836 . 11 1 1 A 68 68 LEU CB C 146 44.114 42.661 1.453 1
1 840 . 11 1 1 A 68 68 LEU N N 146 123.156 126.134 -2.978 1
1 841 . 11 1 1 A 69 69 ALA H H 147 7.586 7.488 0.098 1
1 842 . 11 1 1 A 69 69 ALA HA H 147 4.597 4.610 -0.013 1
1 846 . 11 1 1 A 69 69 ALA C C 147 173.720 176.656 -2.936 1
1 847 . 11 1 1 A 69 69 ALA CA C 147 49.637 50.603 -0.966 1
1 848 . 11 1 1 A 69 69 ALA CB C 147 22.691 21.615 1.076 1
1 849 . 11 1 1 A 69 69 ALA N N 147 117.486 117.458 0.028 1
1 850 . 11 1 1 A 70 70 PRO HA H 148 4.578 4.383 0.195 1
1 857 . 11 1 1 A 70 70 PRO C C 148 176.996 176.756 0.240 1
1 858 . 11 1 1 A 70 70 PRO CA C 148 64.435 64.920 -0.485 1
1 859 . 11 1 1 A 70 70 PRO CB C 148 31.448 32.128 -0.680 1
1 862 . 11 1 1 A 71 71 ASN H H 149 8.221 8.326 -0.105 1
1 863 . 11 1 1 A 71 71 ASN HA H 149 4.783 4.899 -0.116 1
1 868 . 11 1 1 A 71 71 ASN C C 149 173.865 174.062 -0.197 1
1 869 . 11 1 1 A 71 71 ASN CA C 149 52.308 52.195 0.113 1
1 870 . 11 1 1 A 71 71 ASN CB C 149 38.065 37.459 0.606 1
1 871 . 11 1 1 A 71 71 ASN N N 149 116.940 116.555 0.385 1
1 873 . 11 1 1 A 72 72 GLN H H 150 8.467 8.845 -0.378 1
1 874 . 11 1 1 A 72 72 GLN HA H 150 3.962 4.750 -0.788 1
1 881 . 11 1 1 A 72 72 GLN C C 150 174.832 175.906 -1.074 1
1 882 . 11 1 1 A 72 72 GLN CA C 150 57.793 55.700 2.093 1
1 883 . 11 1 1 A 72 72 GLN CB C 150 29.029 29.485 -0.456 1
1 885 . 11 1 1 A 72 72 GLN N N 150 123.793 123.578 0.215 1
1 887 . 11 1 1 A 73 73 THR H H 151 7.040 8.614 -1.574 1
1 888 . 11 1 1 A 73 73 THR HA H 151 4.668 4.959 -0.291 1
1 893 . 11 1 1 A 73 73 THR C C 151 175.175 175.868 -0.693 1
1 894 . 11 1 1 A 73 73 THR CA C 151 59.504 59.412 0.092 1
1 895 . 11 1 1 A 73 73 THR CB C 151 72.544 71.891 0.653 1
1 897 . 11 1 1 A 73 73 THR N N 151 115.239 117.665 -2.426 1
1 898 . 11 1 1 A 74 74 LYS H H 152 8.949 8.940 0.009 1
1 899 . 11 1 1 A 74 74 LYS HA H 152 4.109 4.015 0.094 1
1 908 . 11 1 1 A 74 74 LYS C C 152 178.758 178.430 0.328 1
1 909 . 11 1 1 A 74 74 LYS CA C 152 58.521 58.992 -0.471 1
1 910 . 11 1 1 A 74 74 LYS CB C 152 31.372 31.894 -0.522 1
1 914 . 11 1 1 A 74 74 LYS N N 152 122.065 119.396 2.669 1
1 915 . 11 1 1 A 75 75 GLU H H 153 8.762 7.718 1.044 1
1 916 . 11 1 1 A 75 75 GLU HA H 153 4.098 4.154 -0.056 1
1 921 . 11 1 1 A 75 75 GLU C C 153 179.947 179.179 0.768 1
1 922 . 11 1 1 A 75 75 GLU CA C 153 60.405 59.087 1.318 1
1 923 . 11 1 1 A 75 75 GLU CB C 153 28.999 29.472 -0.473 1
1 925 . 11 1 1 A 75 75 GLU N N 153 118.335 119.718 -1.383 1
1 926 . 11 1 1 A 76 76 LEU H H 154 7.726 7.788 -0.062 1
1 927 . 11 1 1 A 76 76 LEU HA H 154 4.061 3.905 0.156 1
1 937 . 11 1 1 A 76 76 LEU C C 154 178.292 178.725 -0.433 1
1 938 . 11 1 1 A 76 76 LEU CA C 154 58.188 57.814 0.374 1
1 939 . 11 1 1 A 76 76 LEU CB C 154 41.061 41.833 -0.772 1
1 943 . 11 1 1 A 76 76 LEU N N 154 121.434 121.717 -0.283 1
1 944 . 11 1 1 A 77 77 GLU H H 155 8.044 8.564 -0.520 1
1 945 . 11 1 1 A 77 77 GLU HA H 155 3.394 3.883 -0.489 1
1 950 . 11 1 1 A 77 77 GLU C C 155 178.363 179.523 -1.160 1
1 951 . 11 1 1 A 77 77 GLU CA C 155 60.409 59.870 0.539 1
1 952 . 11 1 1 A 77 77 GLU CB C 155 28.697 29.075 -0.378 1
1 954 . 11 1 1 A 77 77 GLU N N 155 118.172 119.093 -0.921 1
1 955 . 11 1 1 A 78 78 GLU H H 156 8.657 8.788 -0.131 1
1 956 . 11 1 1 A 78 78 GLU HA H 156 3.945 4.008 -0.063 1
1 961 . 11 1 1 A 78 78 GLU C C 156 179.197 178.984 0.213 1
1 962 . 11 1 1 A 78 78 GLU CA C 156 59.869 59.290 0.579 1
1 963 . 11 1 1 A 78 78 GLU CB C 156 29.466 29.163 0.303 1
1 965 . 11 1 1 A 78 78 GLU N N 156 117.944 120.314 -2.370 1
1 966 . 11 1 1 A 79 79 LYS H H 157 7.564 7.787 -0.223 1
1 967 . 11 1 1 A 79 79 LYS HA H 157 4.245 4.165 0.080 1
1 976 . 11 1 1 A 79 79 LYS C C 157 178.328 178.845 -0.517 1
1 977 . 11 1 1 A 79 79 LYS CA C 157 57.557 58.723 -1.166 1
1 978 . 11 1 1 A 79 79 LYS CB C 157 30.969 32.429 -1.460 1
1 982 . 11 1 1 A 79 79 LYS N N 157 121.118 121.254 -0.136 1
1 983 . 11 1 1 A 80 80 VAL H H 158 8.412 7.674 0.738 1
1 984 . 11 1 1 A 80 80 VAL HA H 158 3.314 3.853 -0.539 1
1 992 . 11 1 1 A 80 80 VAL C C 158 177.623 178.027 -0.404 1
1 993 . 11 1 1 A 80 80 VAL CA C 158 67.250 66.339 0.911 1
1 994 . 11 1 1 A 80 80 VAL CB C 158 30.867 31.660 -0.793 1
1 997 . 11 1 1 A 80 80 VAL N N 158 119.270 119.771 -0.501 1
1 998 . 11 1 1 A 81 81 MET H H 159 8.212 8.077 0.135 1
1 999 . 11 1 1 A 81 81 MET HA H 159 4.039 4.620 -0.581 1
1 1007 . 11 1 1 A 81 81 MET C C 159 177.305 178.802 -1.497 1
1 1008 . 11 1 1 A 81 81 MET CA C 159 59.998 59.277 0.721 1
1 1009 . 11 1 1 A 81 81 MET CB C 159 33.605 33.290 0.315 1
1 1012 . 11 1 1 A 81 81 MET N N 159 117.924 117.665 0.259 1
1 1013 . 11 1 1 A 82 82 GLU H H 160 7.780 8.624 -0.844 1
1 1014 . 11 1 1 A 82 82 GLU HA H 160 3.768 4.090 -0.322 1
1 1019 . 11 1 1 A 82 82 GLU C C 160 179.468 178.914 0.554 1
1 1020 . 11 1 1 A 82 82 GLU CA C 160 59.555 59.064 0.491 1
1 1021 . 11 1 1 A 82 82 GLU CB C 160 29.831 29.504 0.327 1
1 1023 . 11 1 1 A 82 82 GLU N N 160 119.282 120.577 -1.295 1
1 1024 . 11 1 1 A 83 83 LEU H H 161 7.748 8.274 -0.526 1
1 1025 . 11 1 1 A 83 83 LEU HA H 161 3.756 3.737 0.019 1
1 1035 . 11 1 1 A 83 83 LEU C C 161 179.113 178.690 0.423 1
1 1036 . 11 1 1 A 83 83 LEU CA C 161 57.246 57.727 -0.481 1
1 1037 . 11 1 1 A 83 83 LEU CB C 161 41.824 41.582 0.242 1
1 1041 . 11 1 1 A 83 83 LEU N N 161 118.542 120.073 -1.531 1
1 1042 . 11 1 1 A 84 84 HIS H H 162 8.842 8.217 0.625 1
1 1043 . 11 1 1 A 84 84 HIS HA H 162 3.986 4.249 -0.263 1
1 1047 . 11 1 1 A 84 84 HIS C C 162 178.286 177.350 0.936 1
1 1048 . 11 1 1 A 84 84 HIS CA C 162 58.407 60.511 -2.104 1
1 1049 . 11 1 1 A 84 84 HIS CB C 162 32.405 29.966 2.439 1
1 1051 . 11 1 1 A 84 84 HIS N N 162 120.325 118.224 2.101 1
1 1052 . 11 1 1 A 85 85 LYS H H 163 7.951 7.899 0.052 1
1 1053 . 11 1 1 A 85 85 LYS HA H 163 3.383 4.067 -0.684 1
1 1062 . 11 1 1 A 85 85 LYS C C 163 177.303 179.654 -2.351 1
1 1063 . 11 1 1 A 85 85 LYS CA C 163 59.730 59.161 0.569 1
1 1064 . 11 1 1 A 85 85 LYS CB C 163 32.489 31.791 0.698 1
1 1068 . 11 1 1 A 85 85 LYS N N 163 116.598 118.368 -1.770 1
1 1069 . 11 1 1 A 86 86 SER H H 164 7.334 8.280 -0.946 1
1 1070 . 11 1 1 A 86 86 SER HA H 164 4.442 4.137 0.305 1
1 1073 . 11 1 1 A 86 86 SER C C 164 175.296 175.531 -0.235 1
1 1074 . 11 1 1 A 86 86 SER CA C 164 59.708 61.092 -1.384 1
1 1075 . 11 1 1 A 86 86 SER CB C 164 64.669 62.843 1.826 1
1 1076 . 11 1 1 A 86 86 SER N N 164 113.922 114.943 -1.021 1
1 1077 . 11 1 1 A 87 87 TYR H H 165 7.321 7.318 0.003 1
1 1078 . 11 1 1 A 87 87 TYR HA H 165 5.037 4.416 0.621 1
1 1085 . 11 1 1 A 87 87 TYR C C 165 175.143 175.855 -0.712 1
1 1086 . 11 1 1 A 87 87 TYR CA C 165 54.570 60.416 -5.846 1
1 1087 . 11 1 1 A 87 87 TYR CB C 165 36.575 39.564 -2.989 1
1 1092 . 11 1 1 A 87 87 TYR N N 165 123.163 119.106 4.057 1
1 1093 . 11 1 1 A 88 88 ARG H H 166 7.263 8.058 -0.795 1
1 1094 . 11 1 1 A 88 88 ARG HA H 166 4.264 4.305 -0.041 1
1 1102 . 11 1 1 A 88 88 ARG C C 166 177.455 176.162 1.293 1
1 1103 . 11 1 1 A 88 88 ARG CA C 166 58.086 57.694 0.392 1
1 1104 . 11 1 1 A 88 88 ARG CB C 166 30.702 27.831 2.871 1
1 1107 . 11 1 1 A 88 88 ARG N N 166 119.334 117.569 1.765 1
1 1108 . 11 1 1 A 89 89 SER H H 167 10.206 8.008 2.198 1
1 1109 . 11 1 1 A 89 89 SER HA H 167 4.265 4.690 -0.425 1
1 1112 . 11 1 1 A 89 89 SER C C 167 174.371 173.140 1.231 1
1 1113 . 11 1 1 A 89 89 SER CA C 167 60.818 57.908 2.910 1
1 1114 . 11 1 1 A 89 89 SER CB C 167 62.576 64.662 -2.086 1
1 1115 . 11 1 1 A 89 89 SER N N 167 121.486 112.906 8.580 1
1 1116 . 11 1 1 A 90 90 MET H H 168 8.409 7.674 0.735 1
1 1117 . 11 1 1 A 90 90 MET HA H 168 4.531 5.030 -0.499 1
1 1125 . 11 1 1 A 90 90 MET C C 168 177.396 175.458 1.938 1
1 1126 . 11 1 1 A 90 90 MET CA C 168 56.283 53.975 2.308 1
1 1127 . 11 1 1 A 90 90 MET CB C 168 35.048 35.333 -0.285 1
1 1130 . 11 1 1 A 90 90 MET N N 168 124.849 121.466 3.383 1
1 1131 . 11 1 1 A 91 91 THR H H 169 8.981 8.762 0.219 1
1 1132 . 11 1 1 A 91 91 THR HA H 169 4.589 5.007 -0.418 1
1 1137 . 11 1 1 A 91 91 THR C C 169 173.532 174.899 -1.367 1
1 1138 . 11 1 1 A 91 91 THR CA C 169 61.052 59.229 1.823 1
1 1139 . 11 1 1 A 91 91 THR CB C 169 68.249 69.628 -1.379 1
1 1141 . 11 1 1 A 91 91 THR N N 169 122.910 113.236 9.674 1
1 1142 . 11 1 1 A 92 92 PRO HA H 170 4.151 4.245 -0.094 1
1 1147 . 11 1 1 A 92 92 PRO C C 170 177.481 178.270 -0.789 1
1 1148 . 11 1 1 A 92 92 PRO CA C 170 66.599 66.133 0.466 1
1 1149 . 11 1 1 A 92 92 PRO CB C 170 31.740 31.451 0.289 1
1 1151 . 11 1 1 A 93 93 ALA H H 171 7.833 8.360 -0.527 1
1 1152 . 11 1 1 A 93 93 ALA HA H 171 4.135 4.012 0.123 1
1 1156 . 11 1 1 A 93 93 ALA C C 171 180.982 180.671 0.311 1
1 1157 . 11 1 1 A 93 93 ALA CA C 171 54.982 55.401 -0.419 1
1 1158 . 11 1 1 A 93 93 ALA CB C 171 18.373 18.568 -0.195 1
1 1159 . 11 1 1 A 93 93 ALA N N 171 115.945 118.275 -2.330 1
1 1160 . 11 1 1 A 94 94 GLN H H 172 7.868 7.833 0.035 1
1 1161 . 11 1 1 A 94 94 GLN HA H 172 3.911 3.999 -0.088 1
1 1168 . 11 1 1 A 94 94 GLN C C 172 178.279 178.345 -0.066 1
1 1169 . 11 1 1 A 94 94 GLN CA C 172 58.547 58.709 -0.162 1
1 1170 . 11 1 1 A 94 94 GLN CB C 172 28.318 28.413 -0.095 1
1 1172 . 11 1 1 A 94 94 GLN N N 172 118.910 117.828 1.082 1
1 1174 . 11 1 1 A 95 95 ALA H H 173 8.459 7.788 0.671 1
1 1175 . 11 1 1 A 95 95 ALA HA H 173 4.066 3.861 0.205 1
1 1179 . 11 1 1 A 95 95 ALA C C 173 179.362 179.734 -0.372 1
1 1180 . 11 1 1 A 95 95 ALA CA C 173 55.413 55.258 0.155 1
1 1181 . 11 1 1 A 95 95 ALA CB C 173 17.730 18.491 -0.761 1
1 1182 . 11 1 1 A 95 95 ALA N N 173 123.672 122.196 1.476 1
1 1183 . 11 1 1 A 96 96 ASP H H 174 8.541 8.401 0.140 1
1 1184 . 11 1 1 A 96 96 ASP HA H 174 4.317 4.409 -0.092 1
1 1187 . 11 1 1 A 96 96 ASP C C 174 178.340 178.512 -0.172 1
1 1188 . 11 1 1 A 96 96 ASP CA C 174 57.230 57.468 -0.238 1
1 1189 . 11 1 1 A 96 96 ASP CB C 174 40.024 40.493 -0.469 1
1 1190 . 11 1 1 A 96 96 ASP N N 174 119.397 119.681 -0.284 1
1 1191 . 11 1 1 A 97 97 LEU H H 175 7.798 8.112 -0.314 1
1 1192 . 11 1 1 A 97 97 LEU HA H 175 3.968 4.122 -0.154 1
1 1202 . 11 1 1 A 97 97 LEU C C 175 179.822 178.545 1.277 1
1 1203 . 11 1 1 A 97 97 LEU CA C 175 58.737 57.193 1.544 1
1 1204 . 11 1 1 A 97 97 LEU CB C 175 41.661 41.560 0.101 1
1 1208 . 11 1 1 A 97 97 LEU N N 175 120.724 120.187 0.537 1
1 1209 . 11 1 1 A 98 98 GLU H H 176 8.172 8.275 -0.103 1
1 1210 . 11 1 1 A 98 98 GLU HA H 176 3.885 3.691 0.194 1
1 1215 . 11 1 1 A 98 98 GLU C C 176 180.447 178.989 1.458 1
1 1216 . 11 1 1 A 98 98 GLU CA C 176 58.870 59.463 -0.593 1
1 1217 . 11 1 1 A 98 98 GLU CB C 176 27.413 28.411 -0.998 1
1 1219 . 11 1 1 A 98 98 GLU N N 176 119.724 119.125 0.599 1
1 1220 . 11 1 1 A 99 99 PHE H H 177 8.542 7.757 0.785 1
1 1221 . 11 1 1 A 99 99 PHE HA H 177 3.819 4.168 -0.349 1
1 1229 . 11 1 1 A 99 99 PHE C C 177 176.805 177.020 -0.215 1
1 1230 . 11 1 1 A 99 99 PHE CA C 177 62.277 61.379 0.898 1
1 1231 . 11 1 1 A 99 99 PHE CB C 177 38.948 39.138 -0.190 1
1 1237 . 11 1 1 A 99 99 PHE N N 177 123.837 121.381 2.456 1
1 1238 . 11 1 1 A 100 100 LEU H H 178 8.532 8.422 0.110 1
1 1239 . 11 1 1 A 100 100 LEU HA H 178 4.028 3.909 0.119 1
1 1249 . 11 1 1 A 100 100 LEU C C 178 179.884 179.383 0.501 1
1 1250 . 11 1 1 A 100 100 LEU CA C 178 58.046 58.048 -0.002 1
1 1251 . 11 1 1 A 100 100 LEU CB C 178 41.419 41.400 0.019 1
1 1255 . 11 1 1 A 100 100 LEU N N 178 119.496 119.123 0.373 1
1 1256 . 11 1 1 A 101 101 GLU H H 179 8.769 8.533 0.236 1
1 1257 . 11 1 1 A 101 101 GLU HA H 179 4.043 3.962 0.081 1
1 1262 . 11 1 1 A 101 101 GLU C C 179 179.881 179.433 0.448 1
1 1263 . 11 1 1 A 101 101 GLU CA C 179 59.465 59.691 -0.226 1
1 1264 . 11 1 1 A 101 101 GLU CB C 179 29.478 29.082 0.396 1
1 1266 . 11 1 1 A 101 101 GLU N N 179 120.825 118.440 2.385 1
1 1267 . 11 1 1 A 102 102 ASN H H 180 7.865 7.758 0.107 1
1 1268 . 11 1 1 A 102 102 ASN HA H 180 4.329 4.404 -0.075 1
1 1273 . 11 1 1 A 102 102 ASN C C 180 176.692 177.468 -0.776 1
1 1274 . 11 1 1 A 102 102 ASN CA C 180 57.537 55.800 1.737 1
1 1275 . 11 1 1 A 102 102 ASN CB C 180 40.085 38.351 1.734 1
1 1276 . 11 1 1 A 102 102 ASN N N 180 116.591 118.540 -1.949 1
1 1278 . 11 1 1 A 103 103 ALA H H 181 8.744 8.327 0.417 1
1 1279 . 11 1 1 A 103 103 ALA HA H 181 4.130 3.848 0.282 1
1 1283 . 11 1 1 A 103 103 ALA C C 181 179.546 179.782 -0.236 1
1 1284 . 11 1 1 A 103 103 ALA CA C 181 55.148 54.883 0.265 1
1 1285 . 11 1 1 A 103 103 ALA CB C 181 18.154 18.151 0.003 1
1 1286 . 11 1 1 A 103 103 ALA N N 181 122.431 122.220 0.211 1
1 1287 . 11 1 1 A 104 104 LYS H H 182 8.493 8.034 0.459 1
1 1288 . 11 1 1 A 104 104 LYS HA H 182 3.786 4.237 -0.451 1
1 1297 . 11 1 1 A 104 104 LYS C C 182 180.012 179.081 0.931 1
1 1298 . 11 1 1 A 104 104 LYS CA C 182 58.547 59.407 -0.860 1
1 1299 . 11 1 1 A 104 104 LYS CB C 182 31.194 32.187 -0.993 1
1 1303 . 11 1 1 A 104 104 LYS N N 182 119.195 117.857 1.338 1
1 1304 . 11 1 1 A 105 105 LYS H H 183 7.661 7.873 -0.212 1
1 1305 . 11 1 1 A 105 105 LYS HA H 183 4.111 4.170 -0.059 1
1 1314 . 11 1 1 A 105 105 LYS C C 183 178.010 177.949 0.061 1
1 1315 . 11 1 1 A 105 105 LYS CA C 183 58.823 58.271 0.552 1
1 1316 . 11 1 1 A 105 105 LYS CB C 183 32.287 32.470 -0.183 1
1 1320 . 11 1 1 A 105 105 LYS N N 183 120.301 118.517 1.784 1
1 1321 . 11 1 1 A 106 106 LEU H H 184 7.403 7.473 -0.070 1
1 1322 . 11 1 1 A 106 106 LEU HA H 184 4.385 4.355 0.030 1
1 1331 . 11 1 1 A 106 106 LEU C C 184 176.332 176.185 0.147 1
1 1332 . 11 1 1 A 106 106 LEU CA C 184 54.857 54.710 0.147 1
1 1333 . 11 1 1 A 106 106 LEU CB C 184 42.054 42.046 0.008 1
1 1336 . 11 1 1 A 106 106 LEU N N 184 118.606 118.436 0.170 1
1 1337 . 11 1 1 A 107 107 SER H H 185 8.123 7.991 0.132 1
1 1338 . 11 1 1 A 107 107 SER HA H 185 4.202 4.232 -0.030 1
1 1341 . 11 1 1 A 107 107 SER C C 185 174.826 174.449 0.377 1
1 1342 . 11 1 1 A 107 107 SER CA C 185 58.894 59.128 -0.234 1
1 1343 . 11 1 1 A 107 107 SER CB C 185 61.684 62.042 -0.358 1
1 1344 . 11 1 1 A 107 107 SER N N 185 113.023 113.504 -0.481 1
1 1345 . 11 1 1 A 108 108 MET H H 186 8.212 8.003 0.209 1
1 1346 . 11 1 1 A 108 108 MET HA H 186 4.188 4.186 0.002 1
1 1354 . 11 1 1 A 108 108 MET C C 186 174.495 177.908 -3.413 1
1 1355 . 11 1 1 A 108 108 MET CA C 186 57.328 58.034 -0.706 1
1 1356 . 11 1 1 A 108 108 MET CB C 186 33.414 31.646 1.768 1
1 1359 . 11 1 1 A 108 108 MET N N 186 117.267 117.827 -0.560 1
1 4 . 12 1 1 A 2 2 SER HA H 80 4.477 4.079 0.398 1
1 7 . 12 1 1 A 2 2 SER CA C 80 58.344 58.842 -0.498 1
1 8 . 12 1 1 A 2 2 SER CB C 80 64.002 61.591 2.411 1
1 9 . 12 1 1 A 3 3 HIS HA H 81 4.614 5.175 -0.561 1
1 13 . 12 1 1 A 3 3 HIS C C 81 174.681 174.382 0.299 1
1 14 . 12 1 1 A 3 3 HIS CA C 81 56.231 54.823 1.408 1
1 15 . 12 1 1 A 3 3 HIS CB C 81 29.839 33.006 -3.167 1
1 17 . 12 1 1 A 4 4 MET H H 82 8.285 8.959 -0.674 1
1 18 . 12 1 1 A 4 4 MET HA H 82 4.416 5.050 -0.634 1
1 26 . 12 1 1 A 4 4 MET C C 82 175.286 174.940 0.346 1
1 27 . 12 1 1 A 4 4 MET CA C 82 55.165 54.010 1.155 1
1 28 . 12 1 1 A 4 4 MET CB C 82 32.988 34.866 -1.878 1
1 31 . 12 1 1 A 4 4 MET N N 82 121.559 122.922 -1.363 1
1 32 . 12 1 1 A 5 5 ASP H H 83 8.362 8.903 -0.541 1
1 33 . 12 1 1 A 5 5 ASP HA H 83 4.844 5.176 -0.332 1
1 36 . 12 1 1 A 5 5 ASP C C 83 175.239 175.361 -0.122 1
1 37 . 12 1 1 A 5 5 ASP CA C 83 52.238 50.754 1.484 1
1 38 . 12 1 1 A 5 5 ASP CB C 83 41.471 41.659 -0.188 1
1 39 . 12 1 1 A 5 5 ASP N N 83 124.060 121.761 2.299 1
1 40 . 12 1 1 A 6 6 PRO HA H 84 4.327 4.499 -0.172 1
1 47 . 12 1 1 A 6 6 PRO C C 84 177.388 177.009 0.379 1
1 48 . 12 1 1 A 6 6 PRO CA C 84 64.084 64.111 -0.027 1
1 49 . 12 1 1 A 6 6 PRO CB C 84 32.022 31.780 0.242 1
1 52 . 12 1 1 A 7 7 ALA H H 85 8.406 8.268 0.138 1
1 53 . 12 1 1 A 7 7 ALA HA H 85 4.239 4.549 -0.310 1
1 57 . 12 1 1 A 7 7 ALA C C 85 178.462 177.432 1.030 1
1 58 . 12 1 1 A 7 7 ALA CA C 85 53.223 51.648 1.575 1
1 59 . 12 1 1 A 7 7 ALA CB C 85 18.801 19.415 -0.614 1
1 60 . 12 1 1 A 7 7 ALA N N 85 121.868 120.741 1.127 1
1 61 . 12 1 1 A 8 8 GLN H H 86 7.985 7.922 0.063 1
1 62 . 12 1 1 A 8 8 GLN HA H 86 4.264 4.228 0.036 1
1 69 . 12 1 1 A 8 8 GLN C C 86 176.124 177.158 -1.034 1
1 70 . 12 1 1 A 8 8 GLN CA C 86 56.101 56.975 -0.874 1
1 71 . 12 1 1 A 8 8 GLN CB C 86 29.456 28.844 0.612 1
1 73 . 12 1 1 A 8 8 GLN N N 86 117.727 118.513 -0.786 1
1 75 . 12 1 1 A 9 9 LEU H H 87 8.102 7.754 0.348 1
1 76 . 12 1 1 A 9 9 LEU HA H 87 4.394 4.319 0.075 1
1 86 . 12 1 1 A 9 9 LEU C C 87 177.923 178.621 -0.698 1
1 87 . 12 1 1 A 9 9 LEU CA C 87 55.454 55.859 -0.405 1
1 88 . 12 1 1 A 9 9 LEU CB C 87 42.188 42.570 -0.382 1
1 92 . 12 1 1 A 9 9 LEU N N 87 122.045 114.438 7.607 1
1 93 . 12 1 1 A 10 10 THR H H 88 7.902 8.250 -0.348 1
1 94 . 12 1 1 A 10 10 THR HA H 88 4.258 3.986 0.272 1
1 99 . 12 1 1 A 10 10 THR C C 88 175.742 177.183 -1.441 1
1 100 . 12 1 1 A 10 10 THR CA C 88 62.974 65.736 -2.762 1
1 101 . 12 1 1 A 10 10 THR CB C 88 69.759 68.249 1.510 1
1 103 . 12 1 1 A 10 10 THR N N 88 113.859 113.420 0.439 1
1 104 . 12 1 1 A 11 11 GLU H H 89 8.594 8.593 0.001 1
1 105 . 12 1 1 A 11 11 GLU HA H 89 4.213 3.976 0.237 1
1 110 . 12 1 1 A 11 11 GLU C C 89 177.577 179.409 -1.832 1
1 111 . 12 1 1 A 11 11 GLU CA C 89 58.496 60.300 -1.804 1
1 112 . 12 1 1 A 11 11 GLU CB C 89 29.751 29.059 0.692 1
1 114 . 12 1 1 A 11 11 GLU N N 89 122.144 122.248 -0.104 1
1 115 . 12 1 1 A 12 12 ASP H H 90 8.244 7.661 0.583 1
1 116 . 12 1 1 A 12 12 ASP HA H 90 4.419 4.476 -0.057 1
1 119 . 12 1 1 A 12 12 ASP C C 90 178.623 178.666 -0.043 1
1 120 . 12 1 1 A 12 12 ASP CA C 90 56.589 57.149 -0.560 1
1 121 . 12 1 1 A 12 12 ASP CB C 90 40.332 41.001 -0.669 1
1 122 . 12 1 1 A 12 12 ASP N N 90 119.922 120.179 -0.257 1
1 123 . 12 1 1 A 13 13 ILE H H 91 8.092 7.935 0.157 1
1 124 . 12 1 1 A 13 13 ILE HA H 91 3.987 3.532 0.455 1
1 134 . 12 1 1 A 13 13 ILE C C 91 177.124 178.316 -1.192 1
1 135 . 12 1 1 A 13 13 ILE CA C 91 63.562 65.252 -1.690 1
1 136 . 12 1 1 A 13 13 ILE CB C 91 37.830 37.482 0.348 1
1 140 . 12 1 1 A 13 13 ILE N N 91 122.909 119.689 3.220 1
1 141 . 12 1 1 A 14 14 THR H H 92 8.045 8.585 -0.540 1
1 142 . 12 1 1 A 14 14 THR HA H 92 4.040 4.009 0.031 1
1 147 . 12 1 1 A 14 14 THR C C 92 177.358 176.915 0.443 1
1 148 . 12 1 1 A 14 14 THR CA C 92 66.244 65.533 0.711 1
1 149 . 12 1 1 A 14 14 THR CB C 92 68.629 69.040 -0.411 1
1 151 . 12 1 1 A 14 14 THR N N 92 116.529 114.535 1.994 1
1 152 . 12 1 1 A 15 15 ARG H H 93 7.984 8.125 -0.141 1
1 153 . 12 1 1 A 15 15 ARG HA H 93 3.974 3.931 0.043 1
1 161 . 12 1 1 A 15 15 ARG C C 93 177.719 177.797 -0.078 1
1 162 . 12 1 1 A 15 15 ARG CA C 93 60.312 59.390 0.922 1
1 163 . 12 1 1 A 15 15 ARG CB C 93 30.591 29.655 0.936 1
1 166 . 12 1 1 A 15 15 ARG N N 93 121.521 121.277 0.244 1
1 167 . 12 1 1 A 16 16 TYR H H 94 7.948 7.938 0.010 1
1 168 . 12 1 1 A 16 16 TYR HA H 94 4.045 4.191 -0.146 1
1 175 . 12 1 1 A 16 16 TYR C C 94 177.690 177.172 0.518 1
1 176 . 12 1 1 A 16 16 TYR CA C 94 61.568 61.230 0.338 1
1 177 . 12 1 1 A 16 16 TYR CB C 94 37.543 38.245 -0.702 1
1 182 . 12 1 1 A 16 16 TYR N N 94 120.911 120.483 0.428 1
1 183 . 12 1 1 A 17 17 TYR H H 95 8.143 7.835 0.308 1
1 184 . 12 1 1 A 17 17 TYR HA H 95 4.049 4.112 -0.063 1
1 191 . 12 1 1 A 17 17 TYR C C 95 179.000 178.307 0.693 1
1 192 . 12 1 1 A 17 17 TYR CA C 95 61.454 61.133 0.321 1
1 193 . 12 1 1 A 17 17 TYR CB C 95 37.483 37.479 0.004 1
1 198 . 12 1 1 A 17 17 TYR N N 95 117.066 118.044 -0.978 1
1 199 . 12 1 1 A 18 18 LEU H H 96 7.976 8.366 -0.390 1
1 200 . 12 1 1 A 18 18 LEU HA H 96 4.203 4.033 0.170 1
1 210 . 12 1 1 A 18 18 LEU C C 96 178.998 178.278 0.720 1
1 211 . 12 1 1 A 18 18 LEU CA C 96 58.097 57.807 0.290 1
1 212 . 12 1 1 A 18 18 LEU CB C 96 41.814 41.778 0.036 1
1 216 . 12 1 1 A 18 18 LEU N N 96 123.012 121.269 1.743 1
1 217 . 12 1 1 A 19 19 CYS H H 97 8.163 8.536 -0.373 1
1 218 . 12 1 1 A 19 19 CYS HA H 97 3.783 3.920 -0.137 1
1 221 . 12 1 1 A 19 19 CYS C C 97 176.663 177.160 -0.497 1
1 222 . 12 1 1 A 19 19 CYS CA C 97 64.973 63.409 1.564 1
1 223 . 12 1 1 A 19 19 CYS CB C 97 25.966 27.229 -1.263 1
1 224 . 12 1 1 A 19 19 CYS N N 97 117.202 117.189 0.013 1
1 225 . 12 1 1 A 20 20 LEU H H 98 7.863 8.024 -0.161 1
1 226 . 12 1 1 A 20 20 LEU HA H 98 3.681 3.820 -0.139 1
1 236 . 12 1 1 A 20 20 LEU C C 98 179.392 179.356 0.036 1
1 237 . 12 1 1 A 20 20 LEU CA C 98 58.319 57.921 0.398 1
1 238 . 12 1 1 A 20 20 LEU CB C 98 41.944 41.274 0.670 1
1 242 . 12 1 1 A 20 20 LEU N N 98 118.833 120.124 -1.291 1
1 243 . 12 1 1 A 21 21 GLN H H 99 7.658 8.001 -0.343 1
1 244 . 12 1 1 A 21 21 GLN HA H 99 3.909 3.927 -0.018 1
1 251 . 12 1 1 A 21 21 GLN C C 99 178.326 178.467 -0.141 1
1 252 . 12 1 1 A 21 21 GLN CA C 99 58.704 59.123 -0.419 1
1 253 . 12 1 1 A 21 21 GLN CB C 99 28.630 27.995 0.635 1
1 255 . 12 1 1 A 21 21 GLN N N 99 118.958 119.343 -0.385 1
1 257 . 12 1 1 A 22 22 LEU H H 100 8.214 8.438 -0.224 1
1 258 . 12 1 1 A 22 22 LEU HA H 100 4.150 4.086 0.064 1
1 268 . 12 1 1 A 22 22 LEU C C 100 179.438 179.538 -0.100 1
1 269 . 12 1 1 A 22 22 LEU CA C 100 58.320 57.707 0.613 1
1 270 . 12 1 1 A 22 22 LEU CB C 100 42.816 41.505 1.311 1
1 274 . 12 1 1 A 22 22 LEU N N 100 119.829 119.114 0.715 1
1 275 . 12 1 1 A 23 23 ARG H H 101 8.722 8.456 0.266 1
1 276 . 12 1 1 A 23 23 ARG HA H 101 3.946 4.107 -0.161 1
1 284 . 12 1 1 A 23 23 ARG C C 101 179.448 179.043 0.405 1
1 285 . 12 1 1 A 23 23 ARG CA C 101 60.910 59.418 1.492 1
1 286 . 12 1 1 A 23 23 ARG CB C 101 29.853 29.732 0.121 1
1 288 . 12 1 1 A 23 23 ARG N N 101 117.690 119.480 -1.790 1
1 289 . 12 1 1 A 24 24 GLN H H 102 7.804 8.274 -0.470 1
1 290 . 12 1 1 A 24 24 GLN HA H 102 4.015 4.072 -0.057 1
1 297 . 12 1 1 A 24 24 GLN C C 102 178.951 177.756 1.195 1
1 298 . 12 1 1 A 24 24 GLN CA C 102 58.785 58.934 -0.149 1
1 299 . 12 1 1 A 24 24 GLN CB C 102 28.263 28.060 0.203 1
1 301 . 12 1 1 A 24 24 GLN N N 102 117.686 118.452 -0.766 1
1 303 . 12 1 1 A 25 25 ASP H H 103 8.393 7.783 0.610 1
1 304 . 12 1 1 A 25 25 ASP HA H 103 4.414 4.504 -0.090 1
1 307 . 12 1 1 A 25 25 ASP C C 103 179.476 178.849 0.627 1
1 308 . 12 1 1 A 25 25 ASP CA C 103 57.753 57.447 0.306 1
1 309 . 12 1 1 A 25 25 ASP CB C 103 40.432 41.358 -0.926 1
1 310 . 12 1 1 A 25 25 ASP N N 103 122.118 119.920 2.198 1
1 311 . 12 1 1 A 26 26 ILE H H 104 8.737 7.681 1.056 1
1 312 . 12 1 1 A 26 26 ILE HA H 104 3.761 3.671 0.090 1
1 320 . 12 1 1 A 26 26 ILE C C 104 180.320 177.984 2.336 1
1 321 . 12 1 1 A 26 26 ILE CA C 104 65.902 65.261 0.641 1
1 322 . 12 1 1 A 26 26 ILE CB C 104 38.826 37.983 0.843 1
1 325 . 12 1 1 A 26 26 ILE N N 104 122.668 120.419 2.249 1
1 326 . 12 1 1 A 27 27 VAL H H 105 7.923 7.812 0.111 1
1 327 . 12 1 1 A 27 27 VAL HA H 105 3.077 3.911 -0.834 1
1 335 . 12 1 1 A 27 27 VAL C C 105 176.073 177.406 -1.333 1
1 336 . 12 1 1 A 27 27 VAL CA C 105 67.080 64.765 2.315 1
1 337 . 12 1 1 A 27 27 VAL CB C 105 31.450 31.567 -0.117 1
1 340 . 12 1 1 A 27 27 VAL N N 105 121.194 116.746 4.448 1
1 341 . 12 1 1 A 28 28 ALA H H 106 7.892 7.155 0.737 1
1 342 . 12 1 1 A 28 28 ALA HA H 106 4.286 4.363 -0.077 1
1 346 . 12 1 1 A 28 28 ALA C C 106 178.366 177.821 0.545 1
1 347 . 12 1 1 A 28 28 ALA CA C 106 52.572 52.076 0.496 1
1 348 . 12 1 1 A 28 28 ALA CB C 106 19.616 19.574 0.042 1
1 349 . 12 1 1 A 28 28 ALA N N 106 117.103 121.639 -4.536 1
1 350 . 12 1 1 A 29 29 GLY H H 107 7.670 8.250 -0.580 1
1 351 . 12 1 1 A 29 29 GLY HA2 H 107 4.181 3.929 0.252 1
1 352 . 12 1 1 A 29 29 GLY HA3 H 107 3.924 3.932 -0.008 1
1 353 . 12 1 1 A 29 29 GLY C C 107 174.596 174.949 -0.353 1
1 354 . 12 1 1 A 29 29 GLY CA C 107 45.157 46.606 -1.449 1
1 355 . 12 1 1 A 29 29 GLY N N 107 105.038 107.303 -2.265 1
1 356 . 12 1 1 A 30 30 ARG H H 108 7.972 8.020 -0.048 1
1 357 . 12 1 1 A 30 30 ARG HA H 108 4.185 4.425 -0.240 1
1 365 . 12 1 1 A 30 30 ARG C C 108 175.874 174.913 0.961 1
1 366 . 12 1 1 A 30 30 ARG CA C 108 57.987 56.868 1.119 1
1 367 . 12 1 1 A 30 30 ARG CB C 108 31.218 31.146 0.072 1
1 370 . 12 1 1 A 30 30 ARG N N 108 118.333 121.485 -3.152 1
1 371 . 12 1 1 A 31 31 LEU H H 109 6.696 7.482 -0.786 1
1 372 . 12 1 1 A 31 31 LEU HA H 109 4.939 4.853 0.086 1
1 382 . 12 1 1 A 31 31 LEU C C 109 173.324 174.420 -1.096 1
1 383 . 12 1 1 A 31 31 LEU CA C 109 50.930 51.450 -0.520 1
1 384 . 12 1 1 A 31 31 LEU CB C 109 43.480 45.596 -2.116 1
1 388 . 12 1 1 A 31 31 LEU N N 109 118.681 120.053 -1.372 1
1 389 . 12 1 1 A 32 32 PRO HA H 110 4.411 4.930 -0.519 1
1 396 . 12 1 1 A 32 32 PRO C C 110 176.694 175.984 0.710 1
1 397 . 12 1 1 A 32 32 PRO CA C 110 63.123 62.662 0.461 1
1 398 . 12 1 1 A 32 32 PRO CB C 110 32.022 31.706 0.316 1
1 401 . 12 1 1 A 33 33 CYS H H 111 8.273 8.525 -0.252 1
1 402 . 12 1 1 A 33 33 CYS HA H 111 4.834 5.040 -0.206 1
1 405 . 12 1 1 A 33 33 CYS C C 111 173.523 172.840 0.683 1
1 406 . 12 1 1 A 33 33 CYS CA C 111 57.890 58.031 -0.141 1
1 407 . 12 1 1 A 33 33 CYS CB C 111 32.282 32.895 -0.613 1
1 408 . 12 1 1 A 33 33 CYS N N 111 119.113 122.852 -3.739 1
1 409 . 12 1 1 A 34 34 SER H H 112 8.738 8.839 -0.101 1
1 410 . 12 1 1 A 34 34 SER HA H 112 4.527 4.948 -0.421 1
1 413 . 12 1 1 A 34 34 SER C C 112 173.709 175.178 -1.469 1
1 414 . 12 1 1 A 34 34 SER CA C 112 57.256 56.203 1.053 1
1 415 . 12 1 1 A 34 34 SER CB C 112 65.433 65.542 -0.109 1
1 416 . 12 1 1 A 34 34 SER N N 112 118.212 117.203 1.009 1
1 417 . 12 1 1 A 35 35 PHE H H 113 9.027 9.341 -0.314 1
1 418 . 12 1 1 A 35 35 PHE HA H 113 4.047 4.074 -0.027 1
1 426 . 12 1 1 A 35 35 PHE C C 113 176.433 177.195 -0.762 1
1 427 . 12 1 1 A 35 35 PHE CA C 113 62.623 62.721 -0.098 1
1 428 . 12 1 1 A 35 35 PHE CB C 113 39.128 39.772 -0.644 1
1 434 . 12 1 1 A 35 35 PHE N N 113 122.209 126.287 -4.078 1
1 435 . 12 1 1 A 36 36 ALA H H 114 8.631 8.336 0.295 1
1 436 . 12 1 1 A 36 36 ALA HA H 114 3.926 4.086 -0.160 1
1 440 . 12 1 1 A 36 36 ALA C C 114 181.064 179.966 1.098 1
1 441 . 12 1 1 A 36 36 ALA CA C 114 55.300 55.323 -0.023 1
1 442 . 12 1 1 A 36 36 ALA CB C 114 18.423 18.613 -0.190 1
1 443 . 12 1 1 A 36 36 ALA N N 114 118.977 121.293 -2.316 1
1 444 . 12 1 1 A 37 37 THR H H 115 7.886 8.010 -0.124 1
1 445 . 12 1 1 A 37 37 THR HA H 115 3.859 3.939 -0.080 1
1 450 . 12 1 1 A 37 37 THR C C 115 175.630 176.468 -0.838 1
1 451 . 12 1 1 A 37 37 THR CA C 115 66.294 67.028 -0.734 1
1 452 . 12 1 1 A 37 37 THR CB C 115 68.298 67.836 0.462 1
1 454 . 12 1 1 A 37 37 THR N N 115 117.602 114.839 2.763 1
1 455 . 12 1 1 A 38 38 LEU H H 116 8.740 8.262 0.478 1
1 456 . 12 1 1 A 38 38 LEU HA H 116 3.904 3.910 -0.006 1
1 466 . 12 1 1 A 38 38 LEU C C 116 180.666 179.199 1.467 1
1 467 . 12 1 1 A 38 38 LEU CA C 116 58.166 57.889 0.277 1
1 468 . 12 1 1 A 38 38 LEU CB C 116 43.034 41.430 1.604 1
1 472 . 12 1 1 A 38 38 LEU N N 116 122.945 121.222 1.723 1
1 473 . 12 1 1 A 39 39 ALA H H 117 8.151 8.186 -0.035 1
1 474 . 12 1 1 A 39 39 ALA HA H 117 3.776 3.907 -0.131 1
1 478 . 12 1 1 A 39 39 ALA C C 117 178.461 179.831 -1.370 1
1 479 . 12 1 1 A 39 39 ALA CA C 117 53.839 54.899 -1.060 1
1 480 . 12 1 1 A 39 39 ALA CB C 117 17.406 18.067 -0.661 1
1 481 . 12 1 1 A 39 39 ALA N N 117 120.752 121.587 -0.835 1
1 482 . 12 1 1 A 40 40 LEU H H 118 7.801 8.112 -0.311 1
1 483 . 12 1 1 A 40 40 LEU HA H 118 3.892 4.032 -0.140 1
1 492 . 12 1 1 A 40 40 LEU C C 118 180.428 178.581 1.847 1
1 493 . 12 1 1 A 40 40 LEU CA C 118 57.978 57.922 0.056 1
1 494 . 12 1 1 A 40 40 LEU CB C 118 42.699 41.869 0.830 1
1 497 . 12 1 1 A 40 40 LEU N N 118 119.699 120.231 -0.532 1
1 498 . 12 1 1 A 41 41 LEU H H 119 9.153 8.865 0.288 1
1 499 . 12 1 1 A 41 41 LEU HA H 119 4.181 4.397 -0.216 1
1 509 . 12 1 1 A 41 41 LEU C C 119 179.132 179.339 -0.207 1
1 510 . 12 1 1 A 41 41 LEU CA C 119 58.696 58.301 0.395 1
1 511 . 12 1 1 A 41 41 LEU CB C 119 39.102 41.827 -2.725 1
1 515 . 12 1 1 A 41 41 LEU N N 119 118.687 119.329 -0.642 1
1 516 . 12 1 1 A 42 42 GLY H H 120 8.253 8.205 0.048 1
1 517 . 12 1 1 A 42 42 GLY HA2 H 120 4.016 3.748 0.268 1
1 518 . 12 1 1 A 42 42 GLY HA3 H 120 3.610 3.767 -0.157 1
1 519 . 12 1 1 A 42 42 GLY C C 120 175.046 176.035 -0.989 1
1 520 . 12 1 1 A 42 42 GLY CA C 120 48.060 47.454 0.606 1
1 521 . 12 1 1 A 42 42 GLY N N 120 106.562 106.960 -0.398 1
1 522 . 12 1 1 A 43 43 SER H H 121 8.456 8.388 0.068 1
1 523 . 12 1 1 A 43 43 SER HA H 121 3.928 4.190 -0.262 1
1 526 . 12 1 1 A 43 43 SER C C 121 175.318 176.792 -1.474 1
1 527 . 12 1 1 A 43 43 SER CA C 121 62.651 61.648 1.003 1
1 528 . 12 1 1 A 43 43 SER CB C 121 62.722 62.337 0.385 1
1 529 . 12 1 1 A 43 43 SER N N 121 117.787 117.631 0.156 1
1 530 . 12 1 1 A 44 44 TYR H H 122 7.311 7.583 -0.272 1
1 531 . 12 1 1 A 44 44 TYR HA H 122 4.635 4.284 0.351 1
1 538 . 12 1 1 A 44 44 TYR C C 122 178.731 178.222 0.509 1
1 539 . 12 1 1 A 44 44 TYR CA C 122 61.704 60.636 1.068 1
1 540 . 12 1 1 A 44 44 TYR CB C 122 38.809 38.020 0.789 1
1 545 . 12 1 1 A 44 44 TYR N N 122 123.923 119.690 4.233 1
1 546 . 12 1 1 A 45 45 THR H H 123 8.748 8.143 0.605 1
1 547 . 12 1 1 A 45 45 THR HA H 123 3.747 3.868 -0.121 1
1 552 . 12 1 1 A 45 45 THR C C 123 175.781 176.707 -0.926 1
1 553 . 12 1 1 A 45 45 THR CA C 123 67.015 67.075 -0.060 1
1 554 . 12 1 1 A 45 45 THR CB C 123 67.670 68.104 -0.434 1
1 556 . 12 1 1 A 45 45 THR N N 123 121.374 115.121 6.253 1
1 557 . 12 1 1 A 46 46 ILE H H 124 8.131 7.975 0.156 1
1 558 . 12 1 1 A 46 46 ILE HA H 124 3.161 3.014 0.147 1
1 568 . 12 1 1 A 46 46 ILE C C 124 177.130 177.715 -0.585 1
1 569 . 12 1 1 A 46 46 ILE CA C 124 62.478 65.288 -2.810 1
1 570 . 12 1 1 A 46 46 ILE CB C 124 35.268 37.486 -2.218 1
1 574 . 12 1 1 A 46 46 ILE N N 124 119.593 121.476 -1.883 1
1 575 . 12 1 1 A 47 47 GLN H H 125 7.871 7.837 0.034 1
1 576 . 12 1 1 A 47 47 GLN HA H 125 4.110 3.550 0.560 1
1 583 . 12 1 1 A 47 47 GLN C C 125 178.150 177.746 0.404 1
1 584 . 12 1 1 A 47 47 GLN CA C 125 58.333 58.209 0.124 1
1 585 . 12 1 1 A 47 47 GLN CB C 125 27.448 27.918 -0.470 1
1 587 . 12 1 1 A 47 47 GLN N N 125 121.155 120.239 0.916 1
1 589 . 12 1 1 A 48 48 SER H H 126 8.194 7.956 0.238 1
1 590 . 12 1 1 A 48 48 SER HA H 126 4.055 4.144 -0.089 1
1 593 . 12 1 1 A 48 48 SER C C 126 176.209 176.758 -0.549 1
1 594 . 12 1 1 A 48 48 SER CA C 126 60.823 61.439 -0.616 1
1 595 . 12 1 1 A 48 48 SER CB C 126 63.592 63.042 0.550 1
1 596 . 12 1 1 A 48 48 SER N N 126 111.964 114.479 -2.515 1
1 597 . 12 1 1 A 49 49 GLU H H 127 8.009 8.089 -0.080 1
1 598 . 12 1 1 A 49 49 GLU HA H 127 4.296 4.170 0.126 1
1 603 . 12 1 1 A 49 49 GLU C C 127 178.319 177.913 0.406 1
1 604 . 12 1 1 A 49 49 GLU CA C 127 58.376 58.681 -0.305 1
1 605 . 12 1 1 A 49 49 GLU CB C 127 30.928 30.091 0.837 1
1 607 . 12 1 1 A 49 49 GLU N N 127 116.052 121.068 -5.016 1
1 608 . 12 1 1 A 50 50 LEU H H 128 8.916 8.515 0.401 1
1 609 . 12 1 1 A 50 50 LEU HA H 128 4.549 4.499 0.050 1
1 619 . 12 1 1 A 50 50 LEU C C 128 178.447 177.265 1.182 1
1 620 . 12 1 1 A 50 50 LEU CA C 128 55.159 54.470 0.689 1
1 621 . 12 1 1 A 50 50 LEU CB C 128 43.500 42.735 0.765 1
1 625 . 12 1 1 A 50 50 LEU N N 128 117.044 116.653 0.391 1
1 626 . 12 1 1 A 51 51 GLY H H 129 7.710 7.842 -0.132 1
1 627 . 12 1 1 A 51 51 GLY HA2 H 129 4.261 4.172 0.089 1
1 628 . 12 1 1 A 51 51 GLY HA3 H 129 3.994 4.181 -0.187 1
1 629 . 12 1 1 A 51 51 GLY C C 129 172.406 173.498 -1.092 1
1 630 . 12 1 1 A 51 51 GLY CA C 129 44.162 44.521 -0.359 1
1 631 . 12 1 1 A 51 51 GLY N N 129 109.110 107.174 1.936 1
1 632 . 12 1 1 A 52 52 ASP H H 130 8.131 8.598 -0.467 1
1 633 . 12 1 1 A 52 52 ASP HA H 130 4.577 4.827 -0.250 1
1 636 . 12 1 1 A 52 52 ASP C C 130 176.862 175.811 1.051 1
1 637 . 12 1 1 A 52 52 ASP CA C 130 54.581 55.080 -0.499 1
1 638 . 12 1 1 A 52 52 ASP CB C 130 41.028 41.766 -0.738 1
1 639 . 12 1 1 A 52 52 ASP N N 130 118.844 120.885 -2.041 1
1 640 . 12 1 1 A 53 53 TYR H H 131 8.732 8.866 -0.134 1
1 641 . 12 1 1 A 53 53 TYR HA H 131 4.410 4.563 -0.153 1
1 648 . 12 1 1 A 53 53 TYR C C 131 174.929 174.168 0.761 1
1 649 . 12 1 1 A 53 53 TYR CA C 131 58.452 58.963 -0.511 1
1 650 . 12 1 1 A 53 53 TYR CB C 131 37.536 39.452 -1.916 1
1 655 . 12 1 1 A 53 53 TYR N N 131 121.518 122.725 -1.207 1
1 656 . 12 1 1 A 54 54 ASP H H 132 9.981 7.856 2.125 1
1 657 . 12 1 1 A 54 54 ASP HA H 132 4.652 5.268 -0.616 1
1 660 . 12 1 1 A 54 54 ASP CA C 132 49.843 51.318 -1.475 1
1 661 . 12 1 1 A 54 54 ASP CB C 132 42.737 41.714 1.023 1
1 662 . 12 1 1 A 54 54 ASP N N 132 132.995 127.803 5.192 1
1 663 . 12 1 1 A 55 55 PRO HA H 133 4.117 4.320 -0.203 1
1 670 . 12 1 1 A 55 55 PRO C C 133 178.353 178.273 0.080 1
1 671 . 12 1 1 A 55 55 PRO CA C 133 64.216 64.882 -0.666 1
1 672 . 12 1 1 A 55 55 PRO CB C 133 32.133 32.050 0.083 1
1 675 . 12 1 1 A 56 56 GLU H H 134 7.968 9.122 -1.154 1
1 676 . 12 1 1 A 56 56 GLU HA H 134 4.047 3.836 0.211 1
1 681 . 12 1 1 A 56 56 GLU C C 134 177.001 177.466 -0.465 1
1 682 . 12 1 1 A 56 56 GLU CA C 134 57.984 58.753 -0.769 1
1 683 . 12 1 1 A 56 56 GLU CB C 134 29.667 28.336 1.331 1
1 685 . 12 1 1 A 56 56 GLU N N 134 116.491 117.030 -0.539 1
1 686 . 12 1 1 A 57 57 LEU H H 135 7.137 7.325 -0.188 1
1 687 . 12 1 1 A 57 57 LEU HA H 135 4.186 4.092 0.094 1
1 697 . 12 1 1 A 57 57 LEU C C 135 177.695 176.052 1.643 1
1 698 . 12 1 1 A 57 57 LEU CA C 135 55.372 55.252 0.120 1
1 699 . 12 1 1 A 57 57 LEU CB C 135 43.889 42.111 1.778 1
1 703 . 12 1 1 A 57 57 LEU N N 135 118.254 118.337 -0.083 1
1 704 . 12 1 1 A 58 58 HIS H H 136 8.121 7.622 0.499 1
1 705 . 12 1 1 A 58 58 HIS HA H 136 4.560 4.159 0.401 1
1 709 . 12 1 1 A 58 58 HIS C C 136 176.135 174.141 1.994 1
1 710 . 12 1 1 A 58 58 HIS CA C 136 56.134 56.239 -0.105 1
1 711 . 12 1 1 A 58 58 HIS CB C 136 31.534 27.488 4.046 1
1 713 . 12 1 1 A 58 58 HIS N N 136 120.254 115.314 4.940 1
1 714 . 12 1 1 A 59 59 GLY H H 137 7.890 8.187 -0.297 1
1 715 . 12 1 1 A 59 59 GLY HA2 H 137 4.166 4.141 0.025 1
1 716 . 12 1 1 A 59 59 GLY HA3 H 137 3.990 4.290 -0.300 1
1 717 . 12 1 1 A 59 59 GLY C C 137 175.021 173.291 1.730 1
1 718 . 12 1 1 A 59 59 GLY CA C 137 45.431 44.760 0.671 1
1 719 . 12 1 1 A 59 59 GLY N N 137 108.183 108.224 -0.041 1
1 720 . 12 1 1 A 60 60 VAL H H 138 8.519 8.097 0.422 1
1 721 . 12 1 1 A 60 60 VAL HA H 138 4.503 3.955 0.548 1
1 729 . 12 1 1 A 60 60 VAL C C 138 176.419 176.123 0.296 1
1 730 . 12 1 1 A 60 60 VAL CA C 138 62.905 61.694 1.211 1
1 731 . 12 1 1 A 60 60 VAL CB C 138 32.421 33.662 -1.241 1
1 734 . 12 1 1 A 60 60 VAL N N 138 116.738 118.641 -1.903 1
1 735 . 12 1 1 A 61 61 ASP H H 139 8.525 7.914 0.611 1
1 736 . 12 1 1 A 61 61 ASP HA H 139 4.959 4.712 0.247 1
1 739 . 12 1 1 A 61 61 ASP C C 139 177.816 176.913 0.903 1
1 740 . 12 1 1 A 61 61 ASP CA C 139 54.278 53.922 0.356 1
1 741 . 12 1 1 A 61 61 ASP CB C 139 40.771 41.089 -0.318 1
1 742 . 12 1 1 A 61 61 ASP N N 139 120.408 121.083 -0.675 1
1 743 . 12 1 1 A 62 62 TYR H H 140 7.553 7.724 -0.171 1
1 744 . 12 1 1 A 62 62 TYR HA H 140 4.611 4.597 0.014 1
1 751 . 12 1 1 A 62 62 TYR C C 140 176.791 177.025 -0.234 1
1 752 . 12 1 1 A 62 62 TYR CA C 140 59.811 58.633 1.178 1
1 753 . 12 1 1 A 62 62 TYR CB C 140 37.453 37.923 -0.470 1
1 758 . 12 1 1 A 62 62 TYR N N 140 118.187 120.420 -2.233 1
1 759 . 12 1 1 A 63 63 VAL H H 141 7.645 8.133 -0.488 1
1 760 . 12 1 1 A 63 63 VAL HA H 141 3.861 3.894 -0.033 1
1 768 . 12 1 1 A 63 63 VAL C C 141 176.409 178.191 -1.782 1
1 769 . 12 1 1 A 63 63 VAL CA C 141 63.504 66.573 -3.069 1
1 770 . 12 1 1 A 63 63 VAL CB C 141 31.598 31.363 0.235 1
1 773 . 12 1 1 A 63 63 VAL N N 141 118.945 121.935 -2.990 1
1 774 . 12 1 1 A 64 64 SER H H 142 7.611 8.131 -0.520 1
1 775 . 12 1 1 A 64 64 SER HA H 142 4.234 4.361 -0.127 1
1 778 . 12 1 1 A 64 64 SER C C 142 175.035 175.441 -0.406 1
1 779 . 12 1 1 A 64 64 SER CA C 142 60.628 61.027 -0.399 1
1 780 . 12 1 1 A 64 64 SER CB C 142 63.183 63.044 0.139 1
1 781 . 12 1 1 A 64 64 SER N N 142 113.661 115.840 -2.179 1
1 782 . 12 1 1 A 65 65 ASP H H 143 7.440 7.548 -0.108 1
1 783 . 12 1 1 A 65 65 ASP HA H 143 4.568 4.508 0.060 1
1 786 . 12 1 1 A 65 65 ASP C C 143 175.376 175.930 -0.554 1
1 787 . 12 1 1 A 65 65 ASP CA C 143 55.077 55.677 -0.600 1
1 788 . 12 1 1 A 65 65 ASP CB C 143 40.913 41.463 -0.550 1
1 789 . 12 1 1 A 65 65 ASP N N 143 118.332 119.269 -0.937 1
1 790 . 12 1 1 A 66 66 PHE H H 144 8.115 7.769 0.346 1
1 791 . 12 1 1 A 66 66 PHE HA H 144 4.369 4.944 -0.575 1
1 798 . 12 1 1 A 66 66 PHE C C 144 174.524 175.150 -0.626 1
1 799 . 12 1 1 A 66 66 PHE CA C 144 57.705 57.208 0.497 1
1 800 . 12 1 1 A 66 66 PHE CB C 144 41.033 40.406 0.627 1
1 805 . 12 1 1 A 66 66 PHE N N 144 120.277 116.409 3.868 1
1 806 . 12 1 1 A 67 67 LYS H H 145 8.688 8.903 -0.215 1
1 807 . 12 1 1 A 67 67 LYS HA H 145 4.671 4.466 0.205 1
1 816 . 12 1 1 A 67 67 LYS C C 145 175.437 176.448 -1.011 1
1 817 . 12 1 1 A 67 67 LYS CA C 145 55.418 56.297 -0.879 1
1 818 . 12 1 1 A 67 67 LYS CB C 145 31.784 31.909 -0.125 1
1 822 . 12 1 1 A 67 67 LYS N N 145 122.931 125.182 -2.251 1
1 823 . 12 1 1 A 68 68 LEU H H 146 9.642 9.027 0.615 1
1 824 . 12 1 1 A 68 68 LEU HA H 146 4.484 4.474 0.010 1
1 834 . 12 1 1 A 68 68 LEU C C 146 175.512 176.597 -1.085 1
1 835 . 12 1 1 A 68 68 LEU CA C 146 54.375 55.816 -1.441 1
1 836 . 12 1 1 A 68 68 LEU CB C 146 44.114 42.720 1.394 1
1 840 . 12 1 1 A 68 68 LEU N N 146 123.156 126.671 -3.515 1
1 841 . 12 1 1 A 69 69 ALA H H 147 7.586 7.531 0.055 1
1 842 . 12 1 1 A 69 69 ALA HA H 147 4.597 4.638 -0.041 1
1 846 . 12 1 1 A 69 69 ALA C C 147 173.720 176.642 -2.922 1
1 847 . 12 1 1 A 69 69 ALA CA C 147 49.637 50.627 -0.990 1
1 848 . 12 1 1 A 69 69 ALA CB C 147 22.691 21.506 1.185 1
1 849 . 12 1 1 A 69 69 ALA N N 147 117.486 117.507 -0.021 1
1 850 . 12 1 1 A 70 70 PRO HA H 148 4.578 4.404 0.174 1
1 857 . 12 1 1 A 70 70 PRO C C 148 176.996 177.271 -0.275 1
1 858 . 12 1 1 A 70 70 PRO CA C 148 64.435 64.967 -0.532 1
1 859 . 12 1 1 A 70 70 PRO CB C 148 31.448 32.054 -0.606 1
1 862 . 12 1 1 A 71 71 ASN H H 149 8.221 8.261 -0.040 1
1 863 . 12 1 1 A 71 71 ASN HA H 149 4.783 4.929 -0.146 1
1 868 . 12 1 1 A 71 71 ASN C C 149 173.865 173.929 -0.064 1
1 869 . 12 1 1 A 71 71 ASN CA C 149 52.308 51.887 0.421 1
1 870 . 12 1 1 A 71 71 ASN CB C 149 38.065 37.920 0.145 1
1 871 . 12 1 1 A 71 71 ASN N N 149 116.940 115.470 1.470 1
1 873 . 12 1 1 A 72 72 GLN H H 150 8.467 8.861 -0.394 1
1 874 . 12 1 1 A 72 72 GLN HA H 150 3.962 4.759 -0.797 1
1 881 . 12 1 1 A 72 72 GLN C C 150 174.832 175.866 -1.034 1
1 882 . 12 1 1 A 72 72 GLN CA C 150 57.793 55.733 2.060 1
1 883 . 12 1 1 A 72 72 GLN CB C 150 29.029 29.507 -0.478 1
1 885 . 12 1 1 A 72 72 GLN N N 150 123.793 125.961 -2.168 1
1 887 . 12 1 1 A 73 73 THR H H 151 7.040 8.613 -1.573 1
1 888 . 12 1 1 A 73 73 THR HA H 151 4.668 4.974 -0.306 1
1 893 . 12 1 1 A 73 73 THR C C 151 175.175 176.183 -1.008 1
1 894 . 12 1 1 A 73 73 THR CA C 151 59.504 59.430 0.074 1
1 895 . 12 1 1 A 73 73 THR CB C 151 72.544 72.035 0.509 1
1 897 . 12 1 1 A 73 73 THR N N 151 115.239 117.683 -2.444 1
1 898 . 12 1 1 A 74 74 LYS H H 152 8.949 9.158 -0.209 1
1 899 . 12 1 1 A 74 74 LYS HA H 152 4.109 3.990 0.119 1
1 908 . 12 1 1 A 74 74 LYS C C 152 178.758 178.772 -0.014 1
1 909 . 12 1 1 A 74 74 LYS CA C 152 58.521 60.208 -1.687 1
1 910 . 12 1 1 A 74 74 LYS CB C 152 31.372 32.093 -0.721 1
1 914 . 12 1 1 A 74 74 LYS N N 152 122.065 121.511 0.554 1
1 915 . 12 1 1 A 75 75 GLU H H 153 8.762 7.889 0.873 1
1 916 . 12 1 1 A 75 75 GLU HA H 153 4.098 4.180 -0.082 1
1 921 . 12 1 1 A 75 75 GLU C C 153 179.947 179.153 0.794 1
1 922 . 12 1 1 A 75 75 GLU CA C 153 60.405 59.011 1.394 1
1 923 . 12 1 1 A 75 75 GLU CB C 153 28.999 29.600 -0.601 1
1 925 . 12 1 1 A 75 75 GLU N N 153 118.335 120.533 -2.198 1
1 926 . 12 1 1 A 76 76 LEU H H 154 7.726 7.793 -0.067 1
1 927 . 12 1 1 A 76 76 LEU HA H 154 4.061 3.804 0.257 1
1 937 . 12 1 1 A 76 76 LEU C C 154 178.292 178.655 -0.363 1
1 938 . 12 1 1 A 76 76 LEU CA C 154 58.188 57.777 0.411 1
1 939 . 12 1 1 A 76 76 LEU CB C 154 41.061 41.629 -0.568 1
1 943 . 12 1 1 A 76 76 LEU N N 154 121.434 121.974 -0.540 1
1 944 . 12 1 1 A 77 77 GLU H H 155 8.044 8.717 -0.673 1
1 945 . 12 1 1 A 77 77 GLU HA H 155 3.394 3.970 -0.576 1
1 950 . 12 1 1 A 77 77 GLU C C 155 178.363 179.443 -1.080 1
1 951 . 12 1 1 A 77 77 GLU CA C 155 60.409 59.982 0.427 1
1 952 . 12 1 1 A 77 77 GLU CB C 155 28.697 29.184 -0.487 1
1 954 . 12 1 1 A 77 77 GLU N N 155 118.172 118.969 -0.797 1
1 955 . 12 1 1 A 78 78 GLU H H 156 8.657 8.794 -0.137 1
1 956 . 12 1 1 A 78 78 GLU HA H 156 3.945 4.042 -0.097 1
1 961 . 12 1 1 A 78 78 GLU C C 156 179.197 179.302 -0.105 1
1 962 . 12 1 1 A 78 78 GLU CA C 156 59.869 59.377 0.492 1
1 963 . 12 1 1 A 78 78 GLU CB C 156 29.466 29.253 0.213 1
1 965 . 12 1 1 A 78 78 GLU N N 156 117.944 120.284 -2.340 1
1 966 . 12 1 1 A 79 79 LYS H H 157 7.564 7.913 -0.349 1
1 967 . 12 1 1 A 79 79 LYS HA H 157 4.245 4.160 0.085 1
1 976 . 12 1 1 A 79 79 LYS C C 157 178.328 179.115 -0.787 1
1 977 . 12 1 1 A 79 79 LYS CA C 157 57.557 59.133 -1.576 1
1 978 . 12 1 1 A 79 79 LYS CB C 157 30.969 32.628 -1.659 1
1 982 . 12 1 1 A 79 79 LYS N N 157 121.118 121.304 -0.186 1
1 983 . 12 1 1 A 80 80 VAL H H 158 8.412 7.722 0.690 1
1 984 . 12 1 1 A 80 80 VAL HA H 158 3.314 3.566 -0.252 1
1 992 . 12 1 1 A 80 80 VAL C C 158 177.623 177.991 -0.368 1
1 993 . 12 1 1 A 80 80 VAL CA C 158 67.250 66.311 0.939 1
1 994 . 12 1 1 A 80 80 VAL CB C 158 30.867 31.908 -1.041 1
1 997 . 12 1 1 A 80 80 VAL N N 158 119.270 119.549 -0.279 1
1 998 . 12 1 1 A 81 81 MET H H 159 8.212 7.935 0.277 1
1 999 . 12 1 1 A 81 81 MET HA H 159 4.039 4.309 -0.270 1
1 1007 . 12 1 1 A 81 81 MET C C 159 177.305 178.742 -1.437 1
1 1008 . 12 1 1 A 81 81 MET CA C 159 59.998 59.242 0.756 1
1 1009 . 12 1 1 A 81 81 MET CB C 159 33.605 33.169 0.436 1
1 1012 . 12 1 1 A 81 81 MET N N 159 117.924 117.432 0.492 1
1 1013 . 12 1 1 A 82 82 GLU H H 160 7.780 8.498 -0.718 1
1 1014 . 12 1 1 A 82 82 GLU HA H 160 3.768 4.032 -0.264 1
1 1019 . 12 1 1 A 82 82 GLU C C 160 179.468 178.974 0.494 1
1 1020 . 12 1 1 A 82 82 GLU CA C 160 59.555 59.241 0.314 1
1 1021 . 12 1 1 A 82 82 GLU CB C 160 29.831 29.349 0.482 1
1 1023 . 12 1 1 A 82 82 GLU N N 160 119.282 119.663 -0.381 1
1 1024 . 12 1 1 A 83 83 LEU H H 161 7.748 8.320 -0.572 1
1 1025 . 12 1 1 A 83 83 LEU HA H 161 3.756 3.591 0.165 1
1 1035 . 12 1 1 A 83 83 LEU C C 161 179.113 178.730 0.383 1
1 1036 . 12 1 1 A 83 83 LEU CA C 161 57.246 57.602 -0.356 1
1 1037 . 12 1 1 A 83 83 LEU CB C 161 41.824 41.688 0.136 1
1 1041 . 12 1 1 A 83 83 LEU N N 161 118.542 119.729 -1.187 1
1 1042 . 12 1 1 A 84 84 HIS H H 162 8.842 8.201 0.641 1
1 1043 . 12 1 1 A 84 84 HIS HA H 162 3.986 4.155 -0.169 1
1 1047 . 12 1 1 A 84 84 HIS C C 162 178.286 176.957 1.329 1
1 1048 . 12 1 1 A 84 84 HIS CA C 162 58.407 60.306 -1.899 1
1 1049 . 12 1 1 A 84 84 HIS CB C 162 32.405 30.145 2.260 1
1 1051 . 12 1 1 A 84 84 HIS N N 162 120.325 118.219 2.106 1
1 1052 . 12 1 1 A 85 85 LYS H H 163 7.951 7.625 0.326 1
1 1053 . 12 1 1 A 85 85 LYS HA H 163 3.383 3.814 -0.431 1
1 1062 . 12 1 1 A 85 85 LYS C C 163 177.303 179.477 -2.174 1
1 1063 . 12 1 1 A 85 85 LYS CA C 163 59.730 58.882 0.848 1
1 1064 . 12 1 1 A 85 85 LYS CB C 163 32.489 31.310 1.179 1
1 1068 . 12 1 1 A 85 85 LYS N N 163 116.598 119.891 -3.293 1
1 1069 . 12 1 1 A 86 86 SER H H 164 7.334 8.081 -0.747 1
1 1070 . 12 1 1 A 86 86 SER HA H 164 4.442 4.095 0.347 1
1 1073 . 12 1 1 A 86 86 SER C C 164 175.296 175.478 -0.182 1
1 1074 . 12 1 1 A 86 86 SER CA C 164 59.708 62.152 -2.444 1
1 1075 . 12 1 1 A 86 86 SER CB C 164 64.669 62.929 1.740 1
1 1076 . 12 1 1 A 86 86 SER N N 164 113.922 116.612 -2.690 1
1 1077 . 12 1 1 A 87 87 TYR H H 165 7.321 7.305 0.016 1
1 1078 . 12 1 1 A 87 87 TYR HA H 165 5.037 4.422 0.615 1
1 1085 . 12 1 1 A 87 87 TYR C C 165 175.143 176.060 -0.917 1
1 1086 . 12 1 1 A 87 87 TYR CA C 165 54.570 60.535 -5.965 1
1 1087 . 12 1 1 A 87 87 TYR CB C 165 36.575 39.312 -2.737 1
1 1092 . 12 1 1 A 87 87 TYR N N 165 123.163 118.480 4.683 1
1 1093 . 12 1 1 A 88 88 ARG H H 166 7.263 8.243 -0.980 1
1 1094 . 12 1 1 A 88 88 ARG HA H 166 4.264 4.651 -0.387 1
1 1102 . 12 1 1 A 88 88 ARG C C 166 177.455 176.092 1.363 1
1 1103 . 12 1 1 A 88 88 ARG CA C 166 58.086 57.709 0.377 1
1 1104 . 12 1 1 A 88 88 ARG CB C 166 30.702 29.917 0.785 1
1 1107 . 12 1 1 A 88 88 ARG N N 166 119.334 119.133 0.201 1
1 1108 . 12 1 1 A 89 89 SER H H 167 10.206 8.811 1.395 1
1 1109 . 12 1 1 A 89 89 SER HA H 167 4.265 4.087 0.178 1
1 1112 . 12 1 1 A 89 89 SER C C 167 174.371 173.535 0.836 1
1 1113 . 12 1 1 A 89 89 SER CA C 167 60.818 59.732 1.086 1
1 1114 . 12 1 1 A 89 89 SER CB C 167 62.576 62.411 0.165 1
1 1115 . 12 1 1 A 89 89 SER N N 167 121.486 116.641 4.845 1
1 1116 . 12 1 1 A 90 90 MET H H 168 8.409 7.475 0.934 1
1 1117 . 12 1 1 A 90 90 MET HA H 168 4.531 4.909 -0.378 1
1 1125 . 12 1 1 A 90 90 MET C C 168 177.396 175.881 1.515 1
1 1126 . 12 1 1 A 90 90 MET CA C 168 56.283 54.014 2.269 1
1 1127 . 12 1 1 A 90 90 MET CB C 168 35.048 35.431 -0.383 1
1 1130 . 12 1 1 A 90 90 MET N N 168 124.849 119.192 5.657 1
1 1131 . 12 1 1 A 91 91 THR H H 169 8.981 8.720 0.261 1
1 1132 . 12 1 1 A 91 91 THR HA H 169 4.589 4.929 -0.340 1
1 1137 . 12 1 1 A 91 91 THR C C 169 173.532 174.277 -0.745 1
1 1138 . 12 1 1 A 91 91 THR CA C 169 61.052 58.871 2.181 1
1 1139 . 12 1 1 A 91 91 THR CB C 169 68.249 69.969 -1.720 1
1 1141 . 12 1 1 A 91 91 THR N N 169 122.910 113.749 9.161 1
1 1142 . 12 1 1 A 92 92 PRO HA H 170 4.151 4.212 -0.061 1
1 1147 . 12 1 1 A 92 92 PRO C C 170 177.481 178.288 -0.807 1
1 1148 . 12 1 1 A 92 92 PRO CA C 170 66.599 65.978 0.621 1
1 1149 . 12 1 1 A 92 92 PRO CB C 170 31.740 31.468 0.272 1
1 1151 . 12 1 1 A 93 93 ALA H H 171 7.833 8.377 -0.544 1
1 1152 . 12 1 1 A 93 93 ALA HA H 171 4.135 4.048 0.087 1
1 1156 . 12 1 1 A 93 93 ALA C C 171 180.982 180.369 0.613 1
1 1157 . 12 1 1 A 93 93 ALA CA C 171 54.982 55.385 -0.403 1
1 1158 . 12 1 1 A 93 93 ALA CB C 171 18.373 18.453 -0.080 1
1 1159 . 12 1 1 A 93 93 ALA N N 171 115.945 118.379 -2.434 1
1 1160 . 12 1 1 A 94 94 GLN H H 172 7.868 8.205 -0.337 1
1 1161 . 12 1 1 A 94 94 GLN HA H 172 3.911 3.998 -0.087 1
1 1168 . 12 1 1 A 94 94 GLN C C 172 178.279 178.278 0.001 1
1 1169 . 12 1 1 A 94 94 GLN CA C 172 58.547 58.785 -0.238 1
1 1170 . 12 1 1 A 94 94 GLN CB C 172 28.318 28.402 -0.084 1
1 1172 . 12 1 1 A 94 94 GLN N N 172 118.910 117.386 1.524 1
1 1174 . 12 1 1 A 95 95 ALA H H 173 8.459 7.785 0.674 1
1 1175 . 12 1 1 A 95 95 ALA HA H 173 4.066 3.907 0.159 1
1 1179 . 12 1 1 A 95 95 ALA C C 173 179.362 178.246 1.116 1
1 1180 . 12 1 1 A 95 95 ALA CA C 173 55.413 55.043 0.370 1
1 1181 . 12 1 1 A 95 95 ALA CB C 173 17.730 18.258 -0.528 1
1 1182 . 12 1 1 A 95 95 ALA N N 173 123.672 122.320 1.352 1
1 1183 . 12 1 1 A 96 96 ASP H H 174 8.541 8.428 0.113 1
1 1184 . 12 1 1 A 96 96 ASP HA H 174 4.317 4.329 -0.012 1
1 1187 . 12 1 1 A 96 96 ASP C C 174 178.340 178.581 -0.241 1
1 1188 . 12 1 1 A 96 96 ASP CA C 174 57.230 57.507 -0.277 1
1 1189 . 12 1 1 A 96 96 ASP CB C 174 40.024 42.475 -2.451 1
1 1190 . 12 1 1 A 96 96 ASP N N 174 119.397 118.174 1.223 1
1 1191 . 12 1 1 A 97 97 LEU H H 175 7.798 8.071 -0.273 1
1 1192 . 12 1 1 A 97 97 LEU HA H 175 3.968 4.060 -0.092 1
1 1202 . 12 1 1 A 97 97 LEU C C 175 179.822 178.938 0.884 1
1 1203 . 12 1 1 A 97 97 LEU CA C 175 58.737 57.518 1.219 1
1 1204 . 12 1 1 A 97 97 LEU CB C 175 41.661 41.258 0.403 1
1 1208 . 12 1 1 A 97 97 LEU N N 175 120.724 119.857 0.867 1
1 1209 . 12 1 1 A 98 98 GLU H H 176 8.172 8.295 -0.123 1
1 1210 . 12 1 1 A 98 98 GLU HA H 176 3.885 3.683 0.202 1
1 1215 . 12 1 1 A 98 98 GLU C C 176 180.447 178.957 1.490 1
1 1216 . 12 1 1 A 98 98 GLU CA C 176 58.870 59.417 -0.547 1
1 1217 . 12 1 1 A 98 98 GLU CB C 176 27.413 28.415 -1.002 1
1 1219 . 12 1 1 A 98 98 GLU N N 176 119.724 119.259 0.465 1
1 1220 . 12 1 1 A 99 99 PHE H H 177 8.542 7.646 0.896 1
1 1221 . 12 1 1 A 99 99 PHE HA H 177 3.819 4.133 -0.314 1
1 1229 . 12 1 1 A 99 99 PHE C C 177 176.805 177.015 -0.210 1
1 1230 . 12 1 1 A 99 99 PHE CA C 177 62.277 61.317 0.960 1
1 1231 . 12 1 1 A 99 99 PHE CB C 177 38.948 39.123 -0.175 1
1 1237 . 12 1 1 A 99 99 PHE N N 177 123.837 121.285 2.552 1
1 1238 . 12 1 1 A 100 100 LEU H H 178 8.532 8.435 0.097 1
1 1239 . 12 1 1 A 100 100 LEU HA H 178 4.028 3.928 0.100 1
1 1249 . 12 1 1 A 100 100 LEU C C 178 179.884 179.476 0.408 1
1 1250 . 12 1 1 A 100 100 LEU CA C 178 58.046 58.200 -0.154 1
1 1251 . 12 1 1 A 100 100 LEU CB C 178 41.419 41.522 -0.103 1
1 1255 . 12 1 1 A 100 100 LEU N N 178 119.496 119.178 0.318 1
1 1256 . 12 1 1 A 101 101 GLU H H 179 8.769 8.483 0.286 1
1 1257 . 12 1 1 A 101 101 GLU HA H 179 4.043 3.968 0.075 1
1 1262 . 12 1 1 A 101 101 GLU C C 179 179.881 178.908 0.973 1
1 1263 . 12 1 1 A 101 101 GLU CA C 179 59.465 59.231 0.234 1
1 1264 . 12 1 1 A 101 101 GLU CB C 179 29.478 29.182 0.296 1
1 1266 . 12 1 1 A 101 101 GLU N N 179 120.825 120.958 -0.133 1
1 1267 . 12 1 1 A 102 102 ASN H H 180 7.865 7.702 0.163 1
1 1268 . 12 1 1 A 102 102 ASN HA H 180 4.329 4.382 -0.053 1
1 1273 . 12 1 1 A 102 102 ASN C C 180 176.692 177.446 -0.754 1
1 1274 . 12 1 1 A 102 102 ASN CA C 180 57.537 55.777 1.760 1
1 1275 . 12 1 1 A 102 102 ASN CB C 180 40.085 38.402 1.683 1
1 1276 . 12 1 1 A 102 102 ASN N N 180 116.591 117.336 -0.745 1
1 1278 . 12 1 1 A 103 103 ALA H H 181 8.744 8.322 0.422 1
1 1279 . 12 1 1 A 103 103 ALA HA H 181 4.130 3.929 0.201 1
1 1283 . 12 1 1 A 103 103 ALA C C 181 179.546 179.545 0.001 1
1 1284 . 12 1 1 A 103 103 ALA CA C 181 55.148 54.956 0.192 1
1 1285 . 12 1 1 A 103 103 ALA CB C 181 18.154 18.251 -0.097 1
1 1286 . 12 1 1 A 103 103 ALA N N 181 122.431 122.245 0.186 1
1 1287 . 12 1 1 A 104 104 LYS H H 182 8.493 7.767 0.726 1
1 1288 . 12 1 1 A 104 104 LYS HA H 182 3.786 3.808 -0.022 1
1 1297 . 12 1 1 A 104 104 LYS C C 182 180.012 179.012 1.000 1
1 1298 . 12 1 1 A 104 104 LYS CA C 182 58.547 59.066 -0.519 1
1 1299 . 12 1 1 A 104 104 LYS CB C 182 31.194 31.835 -0.641 1
1 1303 . 12 1 1 A 104 104 LYS N N 182 119.195 117.888 1.307 1
1 1304 . 12 1 1 A 105 105 LYS H H 183 7.661 7.668 -0.007 1
1 1305 . 12 1 1 A 105 105 LYS HA H 183 4.111 4.110 0.001 1
1 1314 . 12 1 1 A 105 105 LYS C C 183 178.010 177.859 0.151 1
1 1315 . 12 1 1 A 105 105 LYS CA C 183 58.823 58.277 0.546 1
1 1316 . 12 1 1 A 105 105 LYS CB C 183 32.287 32.575 -0.288 1
1 1320 . 12 1 1 A 105 105 LYS N N 183 120.301 118.538 1.763 1
1 1321 . 12 1 1 A 106 106 LEU H H 184 7.403 7.311 0.092 1
1 1322 . 12 1 1 A 106 106 LEU HA H 184 4.385 4.278 0.107 1
1 1331 . 12 1 1 A 106 106 LEU C C 184 176.332 176.051 0.281 1
1 1332 . 12 1 1 A 106 106 LEU CA C 184 54.857 54.899 -0.042 1
1 1333 . 12 1 1 A 106 106 LEU CB C 184 42.054 42.134 -0.080 1
1 1336 . 12 1 1 A 106 106 LEU N N 184 118.606 118.072 0.534 1
1 1337 . 12 1 1 A 107 107 SER H H 185 8.123 7.626 0.497 1
1 1338 . 12 1 1 A 107 107 SER HA H 185 4.202 4.122 0.080 1
1 1341 . 12 1 1 A 107 107 SER C C 185 174.826 174.097 0.729 1
1 1342 . 12 1 1 A 107 107 SER CA C 185 58.894 59.212 -0.318 1
1 1343 . 12 1 1 A 107 107 SER CB C 185 61.684 60.938 0.746 1
1 1344 . 12 1 1 A 107 107 SER N N 185 113.023 112.798 0.225 1
1 1345 . 12 1 1 A 108 108 MET H H 186 8.212 7.536 0.676 1
1 1346 . 12 1 1 A 108 108 MET HA H 186 4.188 4.255 -0.067 1
1 1354 . 12 1 1 A 108 108 MET C C 186 174.495 177.047 -2.552 1
1 1355 . 12 1 1 A 108 108 MET CA C 186 57.328 57.991 -0.663 1
1 1356 . 12 1 1 A 108 108 MET CB C 186 33.414 33.031 0.383 1
1 1359 . 12 1 1 A 108 108 MET N N 186 117.267 117.527 -0.260 1
1 4 . 13 1 1 A 2 2 SER HA H 80 4.477 5.167 -0.690 1
1 7 . 13 1 1 A 2 2 SER CA C 80 58.344 56.851 1.493 1
1 8 . 13 1 1 A 2 2 SER CB C 80 64.002 63.596 0.406 1
1 9 . 13 1 1 A 3 3 HIS HA H 81 4.614 4.765 -0.151 1
1 13 . 13 1 1 A 3 3 HIS C C 81 174.681 174.423 0.258 1
1 14 . 13 1 1 A 3 3 HIS CA C 81 56.231 55.159 1.072 1
1 15 . 13 1 1 A 3 3 HIS CB C 81 29.839 29.041 0.798 1
1 17 . 13 1 1 A 4 4 MET H H 82 8.285 7.708 0.577 1
1 18 . 13 1 1 A 4 4 MET HA H 82 4.416 4.746 -0.330 1
1 26 . 13 1 1 A 4 4 MET C C 82 175.286 173.256 2.030 1
1 27 . 13 1 1 A 4 4 MET CA C 82 55.165 54.906 0.259 1
1 28 . 13 1 1 A 4 4 MET CB C 82 32.988 36.046 -3.058 1
1 31 . 13 1 1 A 4 4 MET N N 82 121.559 118.828 2.731 1
1 32 . 13 1 1 A 5 5 ASP H H 83 8.362 8.873 -0.511 1
1 33 . 13 1 1 A 5 5 ASP HA H 83 4.844 5.081 -0.237 1
1 36 . 13 1 1 A 5 5 ASP C C 83 175.239 175.336 -0.097 1
1 37 . 13 1 1 A 5 5 ASP CA C 83 52.238 50.989 1.249 1
1 38 . 13 1 1 A 5 5 ASP CB C 83 41.471 42.348 -0.877 1
1 39 . 13 1 1 A 5 5 ASP N N 83 124.060 125.897 -1.837 1
1 40 . 13 1 1 A 6 6 PRO HA H 84 4.327 4.576 -0.249 1
1 47 . 13 1 1 A 6 6 PRO C C 84 177.388 176.871 0.517 1
1 48 . 13 1 1 A 6 6 PRO CA C 84 64.084 64.096 -0.012 1
1 49 . 13 1 1 A 6 6 PRO CB C 84 32.022 31.772 0.250 1
1 52 . 13 1 1 A 7 7 ALA H H 85 8.406 8.254 0.152 1
1 53 . 13 1 1 A 7 7 ALA HA H 85 4.239 4.567 -0.328 1
1 57 . 13 1 1 A 7 7 ALA C C 85 178.462 177.885 0.577 1
1 58 . 13 1 1 A 7 7 ALA CA C 85 53.223 51.521 1.702 1
1 59 . 13 1 1 A 7 7 ALA CB C 85 18.801 19.549 -0.748 1
1 60 . 13 1 1 A 7 7 ALA N N 85 121.868 120.375 1.493 1
1 61 . 13 1 1 A 8 8 GLN H H 86 7.985 7.867 0.118 1
1 62 . 13 1 1 A 8 8 GLN HA H 86 4.264 4.395 -0.131 1
1 69 . 13 1 1 A 8 8 GLN C C 86 176.124 176.914 -0.790 1
1 70 . 13 1 1 A 8 8 GLN CA C 86 56.101 55.656 0.445 1
1 71 . 13 1 1 A 8 8 GLN CB C 86 29.456 28.935 0.521 1
1 73 . 13 1 1 A 8 8 GLN N N 86 117.727 118.479 -0.752 1
1 75 . 13 1 1 A 9 9 LEU H H 87 8.102 7.900 0.202 1
1 76 . 13 1 1 A 9 9 LEU HA H 87 4.394 4.172 0.222 1
1 86 . 13 1 1 A 9 9 LEU C C 87 177.923 178.936 -1.013 1
1 87 . 13 1 1 A 9 9 LEU CA C 87 55.454 57.137 -1.683 1
1 88 . 13 1 1 A 9 9 LEU CB C 87 42.188 42.141 0.047 1
1 92 . 13 1 1 A 9 9 LEU N N 87 122.045 117.226 4.819 1
1 93 . 13 1 1 A 10 10 THR H H 88 7.902 8.353 -0.451 1
1 94 . 13 1 1 A 10 10 THR HA H 88 4.258 3.998 0.260 1
1 99 . 13 1 1 A 10 10 THR C C 88 175.742 176.428 -0.686 1
1 100 . 13 1 1 A 10 10 THR CA C 88 62.974 65.708 -2.734 1
1 101 . 13 1 1 A 10 10 THR CB C 88 69.759 68.272 1.487 1
1 103 . 13 1 1 A 10 10 THR N N 88 113.859 112.018 1.841 1
1 104 . 13 1 1 A 11 11 GLU H H 89 8.594 8.363 0.231 1
1 105 . 13 1 1 A 11 11 GLU HA H 89 4.213 3.915 0.298 1
1 110 . 13 1 1 A 11 11 GLU C C 89 177.577 178.298 -0.721 1
1 111 . 13 1 1 A 11 11 GLU CA C 89 58.496 59.222 -0.726 1
1 112 . 13 1 1 A 11 11 GLU CB C 89 29.751 29.112 0.639 1
1 114 . 13 1 1 A 11 11 GLU N N 89 122.144 121.900 0.244 1
1 115 . 13 1 1 A 12 12 ASP H H 90 8.244 8.012 0.232 1
1 116 . 13 1 1 A 12 12 ASP HA H 90 4.419 4.402 0.017 1
1 119 . 13 1 1 A 12 12 ASP C C 90 178.623 178.424 0.199 1
1 120 . 13 1 1 A 12 12 ASP CA C 90 56.589 57.464 -0.875 1
1 121 . 13 1 1 A 12 12 ASP CB C 90 40.332 41.031 -0.699 1
1 122 . 13 1 1 A 12 12 ASP N N 90 119.922 120.178 -0.256 1
1 123 . 13 1 1 A 13 13 ILE H H 91 8.092 8.305 -0.213 1
1 124 . 13 1 1 A 13 13 ILE HA H 91 3.987 3.638 0.349 1
1 134 . 13 1 1 A 13 13 ILE C C 91 177.124 178.365 -1.241 1
1 135 . 13 1 1 A 13 13 ILE CA C 91 63.562 65.080 -1.518 1
1 136 . 13 1 1 A 13 13 ILE CB C 91 37.830 37.802 0.028 1
1 140 . 13 1 1 A 13 13 ILE N N 91 122.909 119.329 3.580 1
1 141 . 13 1 1 A 14 14 THR H H 92 8.045 8.992 -0.947 1
1 142 . 13 1 1 A 14 14 THR HA H 92 4.040 4.003 0.037 1
1 147 . 13 1 1 A 14 14 THR C C 92 177.358 176.881 0.477 1
1 148 . 13 1 1 A 14 14 THR CA C 92 66.244 65.554 0.690 1
1 149 . 13 1 1 A 14 14 THR CB C 92 68.629 69.051 -0.422 1
1 151 . 13 1 1 A 14 14 THR N N 92 116.529 115.262 1.267 1
1 152 . 13 1 1 A 15 15 ARG H H 93 7.984 8.056 -0.072 1
1 153 . 13 1 1 A 15 15 ARG HA H 93 3.974 3.941 0.033 1
1 161 . 13 1 1 A 15 15 ARG C C 93 177.719 177.786 -0.067 1
1 162 . 13 1 1 A 15 15 ARG CA C 93 60.312 59.493 0.819 1
1 163 . 13 1 1 A 15 15 ARG CB C 93 30.591 29.646 0.945 1
1 166 . 13 1 1 A 15 15 ARG N N 93 121.521 121.319 0.202 1
1 167 . 13 1 1 A 16 16 TYR H H 94 7.948 7.898 0.050 1
1 168 . 13 1 1 A 16 16 TYR HA H 94 4.045 4.176 -0.131 1
1 175 . 13 1 1 A 16 16 TYR C C 94 177.690 177.079 0.611 1
1 176 . 13 1 1 A 16 16 TYR CA C 94 61.568 61.454 0.114 1
1 177 . 13 1 1 A 16 16 TYR CB C 94 37.543 38.628 -1.085 1
1 182 . 13 1 1 A 16 16 TYR N N 94 120.911 120.657 0.254 1
1 183 . 13 1 1 A 17 17 TYR H H 95 8.143 7.667 0.476 1
1 184 . 13 1 1 A 17 17 TYR HA H 95 4.049 3.870 0.179 1
1 191 . 13 1 1 A 17 17 TYR C C 95 179.000 178.045 0.955 1
1 192 . 13 1 1 A 17 17 TYR CA C 95 61.454 61.795 -0.341 1
1 193 . 13 1 1 A 17 17 TYR CB C 95 37.483 38.062 -0.579 1
1 198 . 13 1 1 A 17 17 TYR N N 95 117.066 118.057 -0.991 1
1 199 . 13 1 1 A 18 18 LEU H H 96 7.976 8.767 -0.791 1
1 200 . 13 1 1 A 18 18 LEU HA H 96 4.203 3.928 0.275 1
1 210 . 13 1 1 A 18 18 LEU C C 96 178.998 178.588 0.410 1
1 211 . 13 1 1 A 18 18 LEU CA C 96 58.097 58.180 -0.083 1
1 212 . 13 1 1 A 18 18 LEU CB C 96 41.814 41.561 0.253 1
1 216 . 13 1 1 A 18 18 LEU N N 96 123.012 120.757 2.255 1
1 217 . 13 1 1 A 19 19 CYS H H 97 8.163 8.691 -0.528 1
1 218 . 13 1 1 A 19 19 CYS HA H 97 3.783 4.258 -0.475 1
1 221 . 13 1 1 A 19 19 CYS C C 97 176.663 177.245 -0.582 1
1 222 . 13 1 1 A 19 19 CYS CA C 97 64.973 63.610 1.363 1
1 223 . 13 1 1 A 19 19 CYS CB C 97 25.966 27.505 -1.539 1
1 224 . 13 1 1 A 19 19 CYS N N 97 117.202 117.301 -0.099 1
1 225 . 13 1 1 A 20 20 LEU H H 98 7.863 8.119 -0.256 1
1 226 . 13 1 1 A 20 20 LEU HA H 98 3.681 3.869 -0.188 1
1 236 . 13 1 1 A 20 20 LEU C C 98 179.392 179.119 0.273 1
1 237 . 13 1 1 A 20 20 LEU CA C 98 58.319 58.143 0.176 1
1 238 . 13 1 1 A 20 20 LEU CB C 98 41.944 41.282 0.662 1
1 242 . 13 1 1 A 20 20 LEU N N 98 118.833 120.802 -1.969 1
1 243 . 13 1 1 A 21 21 GLN H H 99 7.658 8.341 -0.683 1
1 244 . 13 1 1 A 21 21 GLN HA H 99 3.909 3.984 -0.075 1
1 251 . 13 1 1 A 21 21 GLN C C 99 178.326 178.424 -0.098 1
1 252 . 13 1 1 A 21 21 GLN CA C 99 58.704 58.358 0.346 1
1 253 . 13 1 1 A 21 21 GLN CB C 99 28.630 28.335 0.295 1
1 255 . 13 1 1 A 21 21 GLN N N 99 118.958 117.395 1.563 1
1 257 . 13 1 1 A 22 22 LEU H H 100 8.214 8.647 -0.433 1
1 258 . 13 1 1 A 22 22 LEU HA H 100 4.150 3.947 0.203 1
1 268 . 13 1 1 A 22 22 LEU C C 100 179.438 179.216 0.222 1
1 269 . 13 1 1 A 22 22 LEU CA C 100 58.320 57.583 0.737 1
1 270 . 13 1 1 A 22 22 LEU CB C 100 42.816 41.806 1.010 1
1 274 . 13 1 1 A 22 22 LEU N N 100 119.829 120.218 -0.389 1
1 275 . 13 1 1 A 23 23 ARG H H 101 8.722 8.267 0.455 1
1 276 . 13 1 1 A 23 23 ARG HA H 101 3.946 3.991 -0.045 1
1 284 . 13 1 1 A 23 23 ARG C C 101 179.448 178.535 0.913 1
1 285 . 13 1 1 A 23 23 ARG CA C 101 60.910 59.233 1.677 1
1 286 . 13 1 1 A 23 23 ARG CB C 101 29.853 29.744 0.109 1
1 288 . 13 1 1 A 23 23 ARG N N 101 117.690 119.213 -1.523 1
1 289 . 13 1 1 A 24 24 GLN H H 102 7.804 7.718 0.086 1
1 290 . 13 1 1 A 24 24 GLN HA H 102 4.015 4.063 -0.048 1
1 297 . 13 1 1 A 24 24 GLN C C 102 178.951 178.653 0.298 1
1 298 . 13 1 1 A 24 24 GLN CA C 102 58.785 58.488 0.297 1
1 299 . 13 1 1 A 24 24 GLN CB C 102 28.263 28.242 0.021 1
1 301 . 13 1 1 A 24 24 GLN N N 102 117.686 118.201 -0.515 1
1 303 . 13 1 1 A 25 25 ASP H H 103 8.393 7.999 0.394 1
1 304 . 13 1 1 A 25 25 ASP HA H 103 4.414 4.495 -0.081 1
1 307 . 13 1 1 A 25 25 ASP C C 103 179.476 178.887 0.589 1
1 308 . 13 1 1 A 25 25 ASP CA C 103 57.753 57.279 0.474 1
1 309 . 13 1 1 A 25 25 ASP CB C 103 40.432 40.869 -0.437 1
1 310 . 13 1 1 A 25 25 ASP N N 103 122.118 120.281 1.837 1
1 311 . 13 1 1 A 26 26 ILE H H 104 8.737 7.700 1.037 1
1 312 . 13 1 1 A 26 26 ILE HA H 104 3.761 3.660 0.101 1
1 320 . 13 1 1 A 26 26 ILE C C 104 180.320 178.008 2.312 1
1 321 . 13 1 1 A 26 26 ILE CA C 104 65.902 65.100 0.802 1
1 322 . 13 1 1 A 26 26 ILE CB C 104 38.826 37.984 0.842 1
1 325 . 13 1 1 A 26 26 ILE N N 104 122.668 120.755 1.913 1
1 326 . 13 1 1 A 27 27 VAL H H 105 7.923 7.770 0.153 1
1 327 . 13 1 1 A 27 27 VAL HA H 105 3.077 3.901 -0.824 1
1 335 . 13 1 1 A 27 27 VAL C C 105 176.073 177.378 -1.305 1
1 336 . 13 1 1 A 27 27 VAL CA C 105 67.080 64.732 2.348 1
1 337 . 13 1 1 A 27 27 VAL CB C 105 31.450 31.483 -0.033 1
1 340 . 13 1 1 A 27 27 VAL N N 105 121.194 116.684 4.510 1
1 341 . 13 1 1 A 28 28 ALA H H 106 7.892 7.162 0.730 1
1 342 . 13 1 1 A 28 28 ALA HA H 106 4.286 4.354 -0.068 1
1 346 . 13 1 1 A 28 28 ALA C C 106 178.366 177.761 0.605 1
1 347 . 13 1 1 A 28 28 ALA CA C 106 52.572 52.025 0.547 1
1 348 . 13 1 1 A 28 28 ALA CB C 106 19.616 19.526 0.090 1
1 349 . 13 1 1 A 28 28 ALA N N 106 117.103 121.843 -4.740 1
1 350 . 13 1 1 A 29 29 GLY H H 107 7.670 8.058 -0.388 1
1 351 . 13 1 1 A 29 29 GLY HA2 H 107 4.181 3.931 0.250 1
1 352 . 13 1 1 A 29 29 GLY HA3 H 107 3.924 3.934 -0.010 1
1 353 . 13 1 1 A 29 29 GLY C C 107 174.596 175.096 -0.500 1
1 354 . 13 1 1 A 29 29 GLY CA C 107 45.157 46.531 -1.374 1
1 355 . 13 1 1 A 29 29 GLY N N 107 105.038 107.065 -2.027 1
1 356 . 13 1 1 A 30 30 ARG H H 108 7.972 8.491 -0.519 1
1 357 . 13 1 1 A 30 30 ARG HA H 108 4.185 4.321 -0.136 1
1 365 . 13 1 1 A 30 30 ARG C C 108 175.874 175.452 0.422 1
1 366 . 13 1 1 A 30 30 ARG CA C 108 57.987 56.653 1.334 1
1 367 . 13 1 1 A 30 30 ARG CB C 108 31.218 30.845 0.373 1
1 370 . 13 1 1 A 30 30 ARG N N 108 118.333 118.364 -0.031 1
1 371 . 13 1 1 A 31 31 LEU H H 109 6.696 7.496 -0.800 1
1 372 . 13 1 1 A 31 31 LEU HA H 109 4.939 4.818 0.121 1
1 382 . 13 1 1 A 31 31 LEU C C 109 173.324 173.815 -0.491 1
1 383 . 13 1 1 A 31 31 LEU CA C 109 50.930 51.734 -0.804 1
1 384 . 13 1 1 A 31 31 LEU CB C 109 43.480 45.702 -2.222 1
1 388 . 13 1 1 A 31 31 LEU N N 109 118.681 119.503 -0.822 1
1 389 . 13 1 1 A 32 32 PRO HA H 110 4.411 4.802 -0.391 1
1 396 . 13 1 1 A 32 32 PRO C C 110 176.694 176.113 0.581 1
1 397 . 13 1 1 A 32 32 PRO CA C 110 63.123 62.787 0.336 1
1 398 . 13 1 1 A 32 32 PRO CB C 110 32.022 31.769 0.253 1
1 401 . 13 1 1 A 33 33 CYS H H 111 8.273 8.524 -0.251 1
1 402 . 13 1 1 A 33 33 CYS HA H 111 4.834 4.912 -0.078 1
1 405 . 13 1 1 A 33 33 CYS C C 111 173.523 173.430 0.093 1
1 406 . 13 1 1 A 33 33 CYS CA C 111 57.890 58.276 -0.386 1
1 407 . 13 1 1 A 33 33 CYS CB C 111 32.282 32.291 -0.009 1
1 408 . 13 1 1 A 33 33 CYS N N 111 119.113 123.300 -4.187 1
1 409 . 13 1 1 A 34 34 SER H H 112 8.738 8.924 -0.186 1
1 410 . 13 1 1 A 34 34 SER HA H 112 4.527 4.642 -0.115 1
1 413 . 13 1 1 A 34 34 SER C C 112 173.709 175.712 -2.003 1
1 414 . 13 1 1 A 34 34 SER CA C 112 57.256 58.534 -1.278 1
1 415 . 13 1 1 A 34 34 SER CB C 112 65.433 64.209 1.224 1
1 416 . 13 1 1 A 34 34 SER N N 112 118.212 119.856 -1.644 1
1 417 . 13 1 1 A 35 35 PHE H H 113 9.027 9.236 -0.209 1
1 418 . 13 1 1 A 35 35 PHE HA H 113 4.047 4.097 -0.050 1
1 426 . 13 1 1 A 35 35 PHE C C 113 176.433 177.234 -0.801 1
1 427 . 13 1 1 A 35 35 PHE CA C 113 62.623 62.612 0.011 1
1 428 . 13 1 1 A 35 35 PHE CB C 113 39.128 39.701 -0.573 1
1 434 . 13 1 1 A 35 35 PHE N N 113 122.209 124.036 -1.827 1
1 435 . 13 1 1 A 36 36 ALA H H 114 8.631 8.253 0.378 1
1 436 . 13 1 1 A 36 36 ALA HA H 114 3.926 4.050 -0.124 1
1 440 . 13 1 1 A 36 36 ALA C C 114 181.064 180.063 1.001 1
1 441 . 13 1 1 A 36 36 ALA CA C 114 55.300 55.301 -0.001 1
1 442 . 13 1 1 A 36 36 ALA CB C 114 18.423 18.563 -0.140 1
1 443 . 13 1 1 A 36 36 ALA N N 114 118.977 121.105 -2.128 1
1 444 . 13 1 1 A 37 37 THR H H 115 7.886 8.092 -0.206 1
1 445 . 13 1 1 A 37 37 THR HA H 115 3.859 3.870 -0.011 1
1 450 . 13 1 1 A 37 37 THR C C 115 175.630 176.196 -0.566 1
1 451 . 13 1 1 A 37 37 THR CA C 115 66.294 67.384 -1.090 1
1 452 . 13 1 1 A 37 37 THR CB C 115 68.298 68.715 -0.417 1
1 454 . 13 1 1 A 37 37 THR N N 115 117.602 113.957 3.645 1
1 455 . 13 1 1 A 38 38 LEU H H 116 8.740 8.337 0.403 1
1 456 . 13 1 1 A 38 38 LEU HA H 116 3.904 3.861 0.043 1
1 466 . 13 1 1 A 38 38 LEU C C 116 180.666 179.321 1.345 1
1 467 . 13 1 1 A 38 38 LEU CA C 116 58.166 57.887 0.279 1
1 468 . 13 1 1 A 38 38 LEU CB C 116 43.034 41.579 1.455 1
1 472 . 13 1 1 A 38 38 LEU N N 116 122.945 120.848 2.097 1
1 473 . 13 1 1 A 39 39 ALA H H 117 8.151 8.259 -0.108 1
1 474 . 13 1 1 A 39 39 ALA HA H 117 3.776 3.840 -0.064 1
1 478 . 13 1 1 A 39 39 ALA C C 117 178.461 179.734 -1.273 1
1 479 . 13 1 1 A 39 39 ALA CA C 117 53.839 54.911 -1.072 1
1 480 . 13 1 1 A 39 39 ALA CB C 117 17.406 18.021 -0.615 1
1 481 . 13 1 1 A 39 39 ALA N N 117 120.752 121.264 -0.512 1
1 482 . 13 1 1 A 40 40 LEU H H 118 7.801 8.083 -0.282 1
1 483 . 13 1 1 A 40 40 LEU HA H 118 3.892 3.978 -0.086 1
1 492 . 13 1 1 A 40 40 LEU C C 118 180.428 178.526 1.902 1
1 493 . 13 1 1 A 40 40 LEU CA C 118 57.978 57.877 0.101 1
1 494 . 13 1 1 A 40 40 LEU CB C 118 42.699 41.940 0.759 1
1 497 . 13 1 1 A 40 40 LEU N N 118 119.699 120.182 -0.483 1
1 498 . 13 1 1 A 41 41 LEU H H 119 9.153 8.865 0.288 1
1 499 . 13 1 1 A 41 41 LEU HA H 119 4.181 4.406 -0.225 1
1 509 . 13 1 1 A 41 41 LEU C C 119 179.132 179.327 -0.195 1
1 510 . 13 1 1 A 41 41 LEU CA C 119 58.696 58.319 0.377 1
1 511 . 13 1 1 A 41 41 LEU CB C 119 39.102 41.850 -2.748 1
1 515 . 13 1 1 A 41 41 LEU N N 119 118.687 119.336 -0.649 1
1 516 . 13 1 1 A 42 42 GLY H H 120 8.253 8.051 0.202 1
1 517 . 13 1 1 A 42 42 GLY HA2 H 120 4.016 3.661 0.355 1
1 518 . 13 1 1 A 42 42 GLY HA3 H 120 3.610 3.683 -0.073 1
1 519 . 13 1 1 A 42 42 GLY C C 120 175.046 176.427 -1.381 1
1 520 . 13 1 1 A 42 42 GLY CA C 120 48.060 47.338 0.722 1
1 521 . 13 1 1 A 42 42 GLY N N 120 106.562 106.814 -0.252 1
1 522 . 13 1 1 A 43 43 SER H H 121 8.456 8.195 0.261 1
1 523 . 13 1 1 A 43 43 SER HA H 121 3.928 3.995 -0.067 1
1 526 . 13 1 1 A 43 43 SER C C 121 175.318 176.085 -0.767 1
1 527 . 13 1 1 A 43 43 SER CA C 121 62.651 62.827 -0.176 1
1 528 . 13 1 1 A 43 43 SER CB C 121 62.722 63.247 -0.525 1
1 529 . 13 1 1 A 43 43 SER N N 121 117.787 118.642 -0.855 1
1 530 . 13 1 1 A 44 44 TYR H H 122 7.311 7.529 -0.218 1
1 531 . 13 1 1 A 44 44 TYR HA H 122 4.635 4.298 0.337 1
1 538 . 13 1 1 A 44 44 TYR C C 122 178.731 178.157 0.574 1
1 539 . 13 1 1 A 44 44 TYR CA C 122 61.704 60.450 1.254 1
1 540 . 13 1 1 A 44 44 TYR CB C 122 38.809 38.414 0.395 1
1 545 . 13 1 1 A 44 44 TYR N N 122 123.923 120.179 3.744 1
1 546 . 13 1 1 A 45 45 THR H H 123 8.748 7.939 0.809 1
1 547 . 13 1 1 A 45 45 THR HA H 123 3.747 3.995 -0.248 1
1 552 . 13 1 1 A 45 45 THR C C 123 175.781 176.610 -0.829 1
1 553 . 13 1 1 A 45 45 THR CA C 123 67.015 67.163 -0.148 1
1 554 . 13 1 1 A 45 45 THR CB C 123 67.670 67.632 0.038 1
1 556 . 13 1 1 A 45 45 THR N N 123 121.374 115.328 6.046 1
1 557 . 13 1 1 A 46 46 ILE H H 124 8.131 8.121 0.010 1
1 558 . 13 1 1 A 46 46 ILE HA H 124 3.161 2.926 0.235 1
1 568 . 13 1 1 A 46 46 ILE C C 124 177.130 177.679 -0.549 1
1 569 . 13 1 1 A 46 46 ILE CA C 124 62.478 65.198 -2.720 1
1 570 . 13 1 1 A 46 46 ILE CB C 124 35.268 37.447 -2.179 1
1 574 . 13 1 1 A 46 46 ILE N N 124 119.593 121.427 -1.834 1
1 575 . 13 1 1 A 47 47 GLN H H 125 7.871 7.805 0.066 1
1 576 . 13 1 1 A 47 47 GLN HA H 125 4.110 3.493 0.617 1
1 583 . 13 1 1 A 47 47 GLN C C 125 178.150 177.811 0.339 1
1 584 . 13 1 1 A 47 47 GLN CA C 125 58.333 58.055 0.278 1
1 585 . 13 1 1 A 47 47 GLN CB C 125 27.448 28.139 -0.691 1
1 587 . 13 1 1 A 47 47 GLN N N 125 121.155 120.036 1.119 1
1 589 . 13 1 1 A 48 48 SER H H 126 8.194 7.751 0.443 1
1 590 . 13 1 1 A 48 48 SER HA H 126 4.055 4.143 -0.088 1
1 593 . 13 1 1 A 48 48 SER C C 126 176.209 176.634 -0.425 1
1 594 . 13 1 1 A 48 48 SER CA C 126 60.823 61.305 -0.482 1
1 595 . 13 1 1 A 48 48 SER CB C 126 63.592 63.007 0.585 1
1 596 . 13 1 1 A 48 48 SER N N 126 111.964 114.097 -2.133 1
1 597 . 13 1 1 A 49 49 GLU H H 127 8.009 7.873 0.136 1
1 598 . 13 1 1 A 49 49 GLU HA H 127 4.296 4.173 0.123 1
1 603 . 13 1 1 A 49 49 GLU C C 127 178.319 178.095 0.224 1
1 604 . 13 1 1 A 49 49 GLU CA C 127 58.376 58.514 -0.138 1
1 605 . 13 1 1 A 49 49 GLU CB C 127 30.928 30.029 0.899 1
1 607 . 13 1 1 A 49 49 GLU N N 127 116.052 121.446 -5.394 1
1 608 . 13 1 1 A 50 50 LEU H H 128 8.916 8.514 0.402 1
1 609 . 13 1 1 A 50 50 LEU HA H 128 4.549 4.482 0.067 1
1 619 . 13 1 1 A 50 50 LEU C C 128 178.447 177.251 1.196 1
1 620 . 13 1 1 A 50 50 LEU CA C 128 55.159 54.524 0.635 1
1 621 . 13 1 1 A 50 50 LEU CB C 128 43.500 42.760 0.740 1
1 625 . 13 1 1 A 50 50 LEU N N 128 117.044 116.504 0.540 1
1 626 . 13 1 1 A 51 51 GLY H H 129 7.710 7.930 -0.220 1
1 627 . 13 1 1 A 51 51 GLY HA2 H 129 4.261 4.194 0.067 1
1 628 . 13 1 1 A 51 51 GLY HA3 H 129 3.994 4.201 -0.207 1
1 629 . 13 1 1 A 51 51 GLY C C 129 172.406 173.617 -1.211 1
1 630 . 13 1 1 A 51 51 GLY CA C 129 44.162 44.582 -0.420 1
1 631 . 13 1 1 A 51 51 GLY N N 129 109.110 107.218 1.892 1
1 632 . 13 1 1 A 52 52 ASP H H 130 8.131 8.639 -0.508 1
1 633 . 13 1 1 A 52 52 ASP HA H 130 4.577 4.691 -0.114 1
1 636 . 13 1 1 A 52 52 ASP C C 130 176.862 176.191 0.671 1
1 637 . 13 1 1 A 52 52 ASP CA C 130 54.581 55.230 -0.649 1
1 638 . 13 1 1 A 52 52 ASP CB C 130 41.028 41.588 -0.560 1
1 639 . 13 1 1 A 52 52 ASP N N 130 118.844 121.012 -2.168 1
1 640 . 13 1 1 A 53 53 TYR H H 131 8.732 8.785 -0.053 1
1 641 . 13 1 1 A 53 53 TYR HA H 131 4.410 4.380 0.030 1
1 648 . 13 1 1 A 53 53 TYR C C 131 174.929 174.234 0.695 1
1 649 . 13 1 1 A 53 53 TYR CA C 131 58.452 58.675 -0.223 1
1 650 . 13 1 1 A 53 53 TYR CB C 131 37.536 38.511 -0.975 1
1 655 . 13 1 1 A 53 53 TYR N N 131 121.518 123.387 -1.869 1
1 656 . 13 1 1 A 54 54 ASP H H 132 9.981 8.375 1.606 1
1 657 . 13 1 1 A 54 54 ASP HA H 132 4.652 5.153 -0.501 1
1 660 . 13 1 1 A 54 54 ASP CA C 132 49.843 50.941 -1.098 1
1 661 . 13 1 1 A 54 54 ASP CB C 132 42.737 41.808 0.929 1
1 662 . 13 1 1 A 54 54 ASP N N 132 132.995 128.023 4.972 1
1 663 . 13 1 1 A 55 55 PRO HA H 133 4.117 4.514 -0.397 1
1 670 . 13 1 1 A 55 55 PRO C C 133 178.353 177.612 0.741 1
1 671 . 13 1 1 A 55 55 PRO CA C 133 64.216 64.289 -0.073 1
1 672 . 13 1 1 A 55 55 PRO CB C 133 32.133 31.855 0.278 1
1 675 . 13 1 1 A 56 56 GLU H H 134 7.968 8.903 -0.935 1
1 676 . 13 1 1 A 56 56 GLU HA H 134 4.047 4.084 -0.037 1
1 681 . 13 1 1 A 56 56 GLU C C 134 177.001 178.550 -1.549 1
1 682 . 13 1 1 A 56 56 GLU CA C 134 57.984 58.673 -0.689 1
1 683 . 13 1 1 A 56 56 GLU CB C 134 29.667 28.539 1.128 1
1 685 . 13 1 1 A 56 56 GLU N N 134 116.491 115.785 0.706 1
1 686 . 13 1 1 A 57 57 LEU H H 135 7.137 7.225 -0.088 1
1 687 . 13 1 1 A 57 57 LEU HA H 135 4.186 4.167 0.019 1
1 697 . 13 1 1 A 57 57 LEU C C 135 177.695 176.559 1.136 1
1 698 . 13 1 1 A 57 57 LEU CA C 135 55.372 55.992 -0.620 1
1 699 . 13 1 1 A 57 57 LEU CB C 135 43.889 43.833 0.056 1
1 703 . 13 1 1 A 57 57 LEU N N 135 118.254 118.173 0.081 1
1 704 . 13 1 1 A 58 58 HIS H H 136 8.121 7.661 0.460 1
1 705 . 13 1 1 A 58 58 HIS HA H 136 4.560 5.128 -0.568 1
1 709 . 13 1 1 A 58 58 HIS C C 136 176.135 174.802 1.333 1
1 710 . 13 1 1 A 58 58 HIS CA C 136 56.134 54.372 1.762 1
1 711 . 13 1 1 A 58 58 HIS CB C 136 31.534 34.115 -2.581 1
1 713 . 13 1 1 A 58 58 HIS N N 136 120.254 114.798 5.456 1
1 714 . 13 1 1 A 59 59 GLY H H 137 7.890 8.474 -0.584 1
1 715 . 13 1 1 A 59 59 GLY HA2 H 137 4.166 4.032 0.134 1
1 716 . 13 1 1 A 59 59 GLY HA3 H 137 3.990 4.036 -0.046 1
1 717 . 13 1 1 A 59 59 GLY C C 137 175.021 173.642 1.379 1
1 718 . 13 1 1 A 59 59 GLY CA C 137 45.431 45.834 -0.403 1
1 719 . 13 1 1 A 59 59 GLY N N 137 108.183 108.191 -0.008 1
1 720 . 13 1 1 A 60 60 VAL H H 138 8.519 8.504 0.015 1
1 721 . 13 1 1 A 60 60 VAL HA H 138 4.503 3.956 0.547 1
1 729 . 13 1 1 A 60 60 VAL C C 138 176.419 174.398 2.021 1
1 730 . 13 1 1 A 60 60 VAL CA C 138 62.905 59.577 3.328 1
1 731 . 13 1 1 A 60 60 VAL CB C 138 32.421 35.122 -2.701 1
1 734 . 13 1 1 A 60 60 VAL N N 138 116.738 118.546 -1.808 1
1 735 . 13 1 1 A 61 61 ASP H H 139 8.525 8.238 0.287 1
1 736 . 13 1 1 A 61 61 ASP HA H 139 4.959 4.343 0.616 1
1 739 . 13 1 1 A 61 61 ASP C C 139 177.816 176.497 1.319 1
1 740 . 13 1 1 A 61 61 ASP CA C 139 54.278 55.371 -1.093 1
1 741 . 13 1 1 A 61 61 ASP CB C 139 40.771 40.377 0.394 1
1 742 . 13 1 1 A 61 61 ASP N N 139 120.408 120.562 -0.154 1
1 743 . 13 1 1 A 62 62 TYR H H 140 7.553 7.658 -0.105 1
1 744 . 13 1 1 A 62 62 TYR HA H 140 4.611 4.576 0.035 1
1 751 . 13 1 1 A 62 62 TYR C C 140 176.791 177.116 -0.325 1
1 752 . 13 1 1 A 62 62 TYR CA C 140 59.811 58.802 1.009 1
1 753 . 13 1 1 A 62 62 TYR CB C 140 37.453 37.583 -0.130 1
1 758 . 13 1 1 A 62 62 TYR N N 140 118.187 118.938 -0.751 1
1 759 . 13 1 1 A 63 63 VAL H H 141 7.645 7.992 -0.347 1
1 760 . 13 1 1 A 63 63 VAL HA H 141 3.861 3.950 -0.089 1
1 768 . 13 1 1 A 63 63 VAL C C 141 176.409 178.535 -2.126 1
1 769 . 13 1 1 A 63 63 VAL CA C 141 63.504 66.480 -2.976 1
1 770 . 13 1 1 A 63 63 VAL CB C 141 31.598 31.408 0.190 1
1 773 . 13 1 1 A 63 63 VAL N N 141 118.945 122.027 -3.082 1
1 774 . 13 1 1 A 64 64 SER H H 142 7.611 8.324 -0.713 1
1 775 . 13 1 1 A 64 64 SER HA H 142 4.234 4.377 -0.143 1
1 778 . 13 1 1 A 64 64 SER C C 142 175.035 174.857 0.178 1
1 779 . 13 1 1 A 64 64 SER CA C 142 60.628 61.673 -1.045 1
1 780 . 13 1 1 A 64 64 SER CB C 142 63.183 63.157 0.026 1
1 781 . 13 1 1 A 64 64 SER N N 142 113.661 116.688 -3.027 1
1 782 . 13 1 1 A 65 65 ASP H H 143 7.440 7.677 -0.237 1
1 783 . 13 1 1 A 65 65 ASP HA H 143 4.568 4.555 0.013 1
1 786 . 13 1 1 A 65 65 ASP C C 143 175.376 176.147 -0.771 1
1 787 . 13 1 1 A 65 65 ASP CA C 143 55.077 55.259 -0.182 1
1 788 . 13 1 1 A 65 65 ASP CB C 143 40.913 41.429 -0.516 1
1 789 . 13 1 1 A 65 65 ASP N N 143 118.332 119.515 -1.183 1
1 790 . 13 1 1 A 66 66 PHE H H 144 8.115 7.797 0.318 1
1 791 . 13 1 1 A 66 66 PHE HA H 144 4.369 4.900 -0.531 1
1 798 . 13 1 1 A 66 66 PHE C C 144 174.524 175.209 -0.685 1
1 799 . 13 1 1 A 66 66 PHE CA C 144 57.705 57.415 0.290 1
1 800 . 13 1 1 A 66 66 PHE CB C 144 41.033 40.385 0.648 1
1 805 . 13 1 1 A 66 66 PHE N N 144 120.277 116.651 3.626 1
1 806 . 13 1 1 A 67 67 LYS H H 145 8.688 8.561 0.127 1
1 807 . 13 1 1 A 67 67 LYS HA H 145 4.671 4.339 0.332 1
1 816 . 13 1 1 A 67 67 LYS C C 145 175.437 176.304 -0.867 1
1 817 . 13 1 1 A 67 67 LYS CA C 145 55.418 55.951 -0.533 1
1 818 . 13 1 1 A 67 67 LYS CB C 145 31.784 31.655 0.129 1
1 822 . 13 1 1 A 67 67 LYS N N 145 122.931 123.361 -0.430 1
1 823 . 13 1 1 A 68 68 LEU H H 146 9.642 8.573 1.069 1
1 824 . 13 1 1 A 68 68 LEU HA H 146 4.484 4.368 0.116 1
1 834 . 13 1 1 A 68 68 LEU C C 146 175.512 176.459 -0.947 1
1 835 . 13 1 1 A 68 68 LEU CA C 146 54.375 55.993 -1.618 1
1 836 . 13 1 1 A 68 68 LEU CB C 146 44.114 42.651 1.463 1
1 840 . 13 1 1 A 68 68 LEU N N 146 123.156 125.130 -1.974 1
1 841 . 13 1 1 A 69 69 ALA H H 147 7.586 7.554 0.032 1
1 842 . 13 1 1 A 69 69 ALA HA H 147 4.597 4.486 0.111 1
1 846 . 13 1 1 A 69 69 ALA C C 147 173.720 176.827 -3.107 1
1 847 . 13 1 1 A 69 69 ALA CA C 147 49.637 50.675 -1.038 1
1 848 . 13 1 1 A 69 69 ALA CB C 147 22.691 21.364 1.327 1
1 849 . 13 1 1 A 69 69 ALA N N 147 117.486 117.279 0.207 1
1 850 . 13 1 1 A 70 70 PRO HA H 148 4.578 4.421 0.157 1
1 857 . 13 1 1 A 70 70 PRO C C 148 176.996 176.770 0.226 1
1 858 . 13 1 1 A 70 70 PRO CA C 148 64.435 64.884 -0.449 1
1 859 . 13 1 1 A 70 70 PRO CB C 148 31.448 32.143 -0.695 1
1 862 . 13 1 1 A 71 71 ASN H H 149 8.221 8.371 -0.150 1
1 863 . 13 1 1 A 71 71 ASN HA H 149 4.783 4.875 -0.092 1
1 868 . 13 1 1 A 71 71 ASN C C 149 173.865 174.183 -0.318 1
1 869 . 13 1 1 A 71 71 ASN CA C 149 52.308 52.233 0.075 1
1 870 . 13 1 1 A 71 71 ASN CB C 149 38.065 38.400 -0.335 1
1 871 . 13 1 1 A 71 71 ASN N N 149 116.940 115.922 1.018 1
1 873 . 13 1 1 A 72 72 GLN H H 150 8.467 8.831 -0.364 1
1 874 . 13 1 1 A 72 72 GLN HA H 150 3.962 4.670 -0.708 1
1 881 . 13 1 1 A 72 72 GLN C C 150 174.832 174.635 0.197 1
1 882 . 13 1 1 A 72 72 GLN CA C 150 57.793 55.869 1.924 1
1 883 . 13 1 1 A 72 72 GLN CB C 150 29.029 29.697 -0.668 1
1 885 . 13 1 1 A 72 72 GLN N N 150 123.793 123.483 0.310 1
1 887 . 13 1 1 A 73 73 THR H H 151 7.040 8.406 -1.366 1
1 888 . 13 1 1 A 73 73 THR HA H 151 4.668 4.902 -0.234 1
1 893 . 13 1 1 A 73 73 THR C C 151 175.175 175.219 -0.044 1
1 894 . 13 1 1 A 73 73 THR CA C 151 59.504 59.660 -0.156 1
1 895 . 13 1 1 A 73 73 THR CB C 151 72.544 71.050 1.494 1
1 897 . 13 1 1 A 73 73 THR N N 151 115.239 121.378 -6.139 1
1 898 . 13 1 1 A 74 74 LYS H H 152 8.949 9.139 -0.190 1
1 899 . 13 1 1 A 74 74 LYS HA H 152 4.109 3.966 0.143 1
1 908 . 13 1 1 A 74 74 LYS C C 152 178.758 178.687 0.071 1
1 909 . 13 1 1 A 74 74 LYS CA C 152 58.521 59.975 -1.454 1
1 910 . 13 1 1 A 74 74 LYS CB C 152 31.372 32.083 -0.711 1
1 914 . 13 1 1 A 74 74 LYS N N 152 122.065 127.542 -5.477 1
1 915 . 13 1 1 A 75 75 GLU H H 153 8.762 8.359 0.403 1
1 916 . 13 1 1 A 75 75 GLU HA H 153 4.098 4.156 -0.058 1
1 921 . 13 1 1 A 75 75 GLU C C 153 179.947 179.293 0.654 1
1 922 . 13 1 1 A 75 75 GLU CA C 153 60.405 59.129 1.276 1
1 923 . 13 1 1 A 75 75 GLU CB C 153 28.999 29.377 -0.378 1
1 925 . 13 1 1 A 75 75 GLU N N 153 118.335 120.585 -2.250 1
1 926 . 13 1 1 A 76 76 LEU H H 154 7.726 8.280 -0.554 1
1 927 . 13 1 1 A 76 76 LEU HA H 154 4.061 3.924 0.137 1
1 937 . 13 1 1 A 76 76 LEU C C 154 178.292 178.770 -0.478 1
1 938 . 13 1 1 A 76 76 LEU CA C 154 58.188 58.029 0.159 1
1 939 . 13 1 1 A 76 76 LEU CB C 154 41.061 41.786 -0.725 1
1 943 . 13 1 1 A 76 76 LEU N N 154 121.434 121.825 -0.391 1
1 944 . 13 1 1 A 77 77 GLU H H 155 8.044 8.484 -0.440 1
1 945 . 13 1 1 A 77 77 GLU HA H 155 3.394 3.933 -0.539 1
1 950 . 13 1 1 A 77 77 GLU C C 155 178.363 179.542 -1.179 1
1 951 . 13 1 1 A 77 77 GLU CA C 155 60.409 59.935 0.474 1
1 952 . 13 1 1 A 77 77 GLU CB C 155 28.697 29.247 -0.550 1
1 954 . 13 1 1 A 77 77 GLU N N 155 118.172 118.631 -0.459 1
1 955 . 13 1 1 A 78 78 GLU H H 156 8.657 8.768 -0.111 1
1 956 . 13 1 1 A 78 78 GLU HA H 156 3.945 3.984 -0.039 1
1 961 . 13 1 1 A 78 78 GLU C C 156 179.197 179.009 0.188 1
1 962 . 13 1 1 A 78 78 GLU CA C 156 59.869 59.375 0.494 1
1 963 . 13 1 1 A 78 78 GLU CB C 156 29.466 29.182 0.284 1
1 965 . 13 1 1 A 78 78 GLU N N 156 117.944 120.239 -2.295 1
1 966 . 13 1 1 A 79 79 LYS H H 157 7.564 7.845 -0.281 1
1 967 . 13 1 1 A 79 79 LYS HA H 157 4.245 4.166 0.079 1
1 976 . 13 1 1 A 79 79 LYS C C 157 178.328 179.007 -0.679 1
1 977 . 13 1 1 A 79 79 LYS CA C 157 57.557 58.855 -1.298 1
1 978 . 13 1 1 A 79 79 LYS CB C 157 30.969 32.212 -1.243 1
1 982 . 13 1 1 A 79 79 LYS N N 157 121.118 121.056 0.062 1
1 983 . 13 1 1 A 80 80 VAL H H 158 8.412 7.732 0.680 1
1 984 . 13 1 1 A 80 80 VAL HA H 158 3.314 3.844 -0.530 1
1 992 . 13 1 1 A 80 80 VAL C C 158 177.623 178.098 -0.475 1
1 993 . 13 1 1 A 80 80 VAL CA C 158 67.250 66.370 0.880 1
1 994 . 13 1 1 A 80 80 VAL CB C 158 30.867 31.739 -0.872 1
1 997 . 13 1 1 A 80 80 VAL N N 158 119.270 119.869 -0.599 1
1 998 . 13 1 1 A 81 81 MET H H 159 8.212 8.054 0.158 1
1 999 . 13 1 1 A 81 81 MET HA H 159 4.039 4.282 -0.243 1
1 1007 . 13 1 1 A 81 81 MET C C 159 177.305 178.343 -1.038 1
1 1008 . 13 1 1 A 81 81 MET CA C 159 59.998 59.124 0.874 1
1 1009 . 13 1 1 A 81 81 MET CB C 159 33.605 33.011 0.594 1
1 1012 . 13 1 1 A 81 81 MET N N 159 117.924 117.699 0.225 1
1 1013 . 13 1 1 A 82 82 GLU H H 160 7.780 8.548 -0.768 1
1 1014 . 13 1 1 A 82 82 GLU HA H 160 3.768 3.980 -0.212 1
1 1019 . 13 1 1 A 82 82 GLU C C 160 179.468 179.172 0.296 1
1 1020 . 13 1 1 A 82 82 GLU CA C 160 59.555 59.157 0.398 1
1 1021 . 13 1 1 A 82 82 GLU CB C 160 29.831 29.446 0.385 1
1 1023 . 13 1 1 A 82 82 GLU N N 160 119.282 120.549 -1.267 1
1 1024 . 13 1 1 A 83 83 LEU H H 161 7.748 7.956 -0.208 1
1 1025 . 13 1 1 A 83 83 LEU HA H 161 3.756 3.639 0.117 1
1 1035 . 13 1 1 A 83 83 LEU C C 161 179.113 178.797 0.316 1
1 1036 . 13 1 1 A 83 83 LEU CA C 161 57.246 57.389 -0.143 1
1 1037 . 13 1 1 A 83 83 LEU CB C 161 41.824 41.050 0.774 1
1 1041 . 13 1 1 A 83 83 LEU N N 161 118.542 120.005 -1.463 1
1 1042 . 13 1 1 A 84 84 HIS H H 162 8.842 8.011 0.831 1
1 1043 . 13 1 1 A 84 84 HIS HA H 162 3.986 4.125 -0.139 1
1 1047 . 13 1 1 A 84 84 HIS C C 162 178.286 176.923 1.363 1
1 1048 . 13 1 1 A 84 84 HIS CA C 162 58.407 60.198 -1.791 1
1 1049 . 13 1 1 A 84 84 HIS CB C 162 32.405 30.011 2.394 1
1 1051 . 13 1 1 A 84 84 HIS N N 162 120.325 118.256 2.069 1
1 1052 . 13 1 1 A 85 85 LYS H H 163 7.951 7.723 0.228 1
1 1053 . 13 1 1 A 85 85 LYS HA H 163 3.383 3.840 -0.457 1
1 1062 . 13 1 1 A 85 85 LYS C C 163 177.303 178.980 -1.677 1
1 1063 . 13 1 1 A 85 85 LYS CA C 163 59.730 58.910 0.820 1
1 1064 . 13 1 1 A 85 85 LYS CB C 163 32.489 31.200 1.289 1
1 1068 . 13 1 1 A 85 85 LYS N N 163 116.598 119.995 -3.397 1
1 1069 . 13 1 1 A 86 86 SER H H 164 7.334 7.904 -0.570 1
1 1070 . 13 1 1 A 86 86 SER HA H 164 4.442 4.085 0.357 1
1 1073 . 13 1 1 A 86 86 SER C C 164 175.296 175.960 -0.664 1
1 1074 . 13 1 1 A 86 86 SER CA C 164 59.708 60.516 -0.808 1
1 1075 . 13 1 1 A 86 86 SER CB C 164 64.669 62.870 1.799 1
1 1076 . 13 1 1 A 86 86 SER N N 164 113.922 114.445 -0.523 1
1 1077 . 13 1 1 A 87 87 TYR H H 165 7.321 7.466 -0.145 1
1 1078 . 13 1 1 A 87 87 TYR HA H 165 5.037 4.484 0.553 1
1 1085 . 13 1 1 A 87 87 TYR C C 165 175.143 175.852 -0.709 1
1 1086 . 13 1 1 A 87 87 TYR CA C 165 54.570 60.530 -5.960 1
1 1087 . 13 1 1 A 87 87 TYR CB C 165 36.575 39.305 -2.730 1
1 1092 . 13 1 1 A 87 87 TYR N N 165 123.163 119.081 4.082 1
1 1093 . 13 1 1 A 88 88 ARG H H 166 7.263 8.054 -0.791 1
1 1094 . 13 1 1 A 88 88 ARG HA H 166 4.264 4.203 0.061 1
1 1102 . 13 1 1 A 88 88 ARG C C 166 177.455 174.811 2.644 1
1 1103 . 13 1 1 A 88 88 ARG CA C 166 58.086 57.717 0.369 1
1 1104 . 13 1 1 A 88 88 ARG CB C 166 30.702 27.839 2.863 1
1 1107 . 13 1 1 A 88 88 ARG N N 166 119.334 117.444 1.890 1
1 1108 . 13 1 1 A 89 89 SER H H 167 10.206 8.034 2.172 1
1 1109 . 13 1 1 A 89 89 SER HA H 167 4.265 4.702 -0.437 1
1 1112 . 13 1 1 A 89 89 SER C C 167 174.371 173.480 0.891 1
1 1113 . 13 1 1 A 89 89 SER CA C 167 60.818 57.337 3.481 1
1 1114 . 13 1 1 A 89 89 SER CB C 167 62.576 64.186 -1.610 1
1 1115 . 13 1 1 A 89 89 SER N N 167 121.486 114.527 6.959 1
1 1116 . 13 1 1 A 90 90 MET H H 168 8.409 7.715 0.694 1
1 1117 . 13 1 1 A 90 90 MET HA H 168 4.531 5.049 -0.518 1
1 1125 . 13 1 1 A 90 90 MET C C 168 177.396 175.547 1.849 1
1 1126 . 13 1 1 A 90 90 MET CA C 168 56.283 53.964 2.319 1
1 1127 . 13 1 1 A 90 90 MET CB C 168 35.048 35.769 -0.721 1
1 1130 . 13 1 1 A 90 90 MET N N 168 124.849 123.180 1.669 1
1 1131 . 13 1 1 A 91 91 THR H H 169 8.981 9.127 -0.146 1
1 1132 . 13 1 1 A 91 91 THR HA H 169 4.589 5.061 -0.472 1
1 1137 . 13 1 1 A 91 91 THR C C 169 173.532 174.869 -1.337 1
1 1138 . 13 1 1 A 91 91 THR CA C 169 61.052 59.566 1.486 1
1 1139 . 13 1 1 A 91 91 THR CB C 169 68.249 69.234 -0.985 1
1 1141 . 13 1 1 A 91 91 THR N N 169 122.910 114.188 8.722 1
1 1142 . 13 1 1 A 92 92 PRO HA H 170 4.151 4.229 -0.078 1
1 1147 . 13 1 1 A 92 92 PRO C C 170 177.481 178.283 -0.802 1
1 1148 . 13 1 1 A 92 92 PRO CA C 170 66.599 66.118 0.481 1
1 1149 . 13 1 1 A 92 92 PRO CB C 170 31.740 31.446 0.294 1
1 1151 . 13 1 1 A 93 93 ALA H H 171 7.833 8.358 -0.525 1
1 1152 . 13 1 1 A 93 93 ALA HA H 171 4.135 3.962 0.173 1
1 1156 . 13 1 1 A 93 93 ALA C C 171 180.982 179.960 1.022 1
1 1157 . 13 1 1 A 93 93 ALA CA C 171 54.982 55.423 -0.441 1
1 1158 . 13 1 1 A 93 93 ALA CB C 171 18.373 18.597 -0.224 1
1 1159 . 13 1 1 A 93 93 ALA N N 171 115.945 118.201 -2.256 1
1 1160 . 13 1 1 A 94 94 GLN H H 172 7.868 8.185 -0.317 1
1 1161 . 13 1 1 A 94 94 GLN HA H 172 3.911 3.970 -0.059 1
1 1168 . 13 1 1 A 94 94 GLN C C 172 178.279 178.282 -0.003 1
1 1169 . 13 1 1 A 94 94 GLN CA C 172 58.547 58.641 -0.094 1
1 1170 . 13 1 1 A 94 94 GLN CB C 172 28.318 28.673 -0.355 1
1 1172 . 13 1 1 A 94 94 GLN N N 172 118.910 118.156 0.754 1
1 1174 . 13 1 1 A 95 95 ALA H H 173 8.459 7.727 0.732 1
1 1175 . 13 1 1 A 95 95 ALA HA H 173 4.066 3.948 0.118 1
1 1179 . 13 1 1 A 95 95 ALA C C 173 179.362 179.690 -0.328 1
1 1180 . 13 1 1 A 95 95 ALA CA C 173 55.413 55.171 0.242 1
1 1181 . 13 1 1 A 95 95 ALA CB C 173 17.730 18.194 -0.464 1
1 1182 . 13 1 1 A 95 95 ALA N N 173 123.672 122.224 1.448 1
1 1183 . 13 1 1 A 96 96 ASP H H 174 8.541 8.183 0.358 1
1 1184 . 13 1 1 A 96 96 ASP HA H 174 4.317 4.400 -0.083 1
1 1187 . 13 1 1 A 96 96 ASP C C 174 178.340 178.484 -0.144 1
1 1188 . 13 1 1 A 96 96 ASP CA C 174 57.230 57.442 -0.212 1
1 1189 . 13 1 1 A 96 96 ASP CB C 174 40.024 40.450 -0.426 1
1 1190 . 13 1 1 A 96 96 ASP N N 174 119.397 119.670 -0.273 1
1 1191 . 13 1 1 A 97 97 LEU H H 175 7.798 8.027 -0.229 1
1 1192 . 13 1 1 A 97 97 LEU HA H 175 3.968 4.106 -0.138 1
1 1202 . 13 1 1 A 97 97 LEU C C 175 179.822 178.589 1.233 1
1 1203 . 13 1 1 A 97 97 LEU CA C 175 58.737 57.182 1.555 1
1 1204 . 13 1 1 A 97 97 LEU CB C 175 41.661 41.572 0.089 1
1 1208 . 13 1 1 A 97 97 LEU N N 175 120.724 120.146 0.578 1
1 1209 . 13 1 1 A 98 98 GLU H H 176 8.172 8.266 -0.094 1
1 1210 . 13 1 1 A 98 98 GLU HA H 176 3.885 3.648 0.237 1
1 1215 . 13 1 1 A 98 98 GLU C C 176 180.447 178.885 1.562 1
1 1216 . 13 1 1 A 98 98 GLU CA C 176 58.870 59.406 -0.536 1
1 1217 . 13 1 1 A 98 98 GLU CB C 176 27.413 28.343 -0.930 1
1 1219 . 13 1 1 A 98 98 GLU N N 176 119.724 119.292 0.432 1
1 1220 . 13 1 1 A 99 99 PHE H H 177 8.542 7.791 0.751 1
1 1221 . 13 1 1 A 99 99 PHE HA H 177 3.819 4.151 -0.332 1
1 1229 . 13 1 1 A 99 99 PHE C C 177 176.805 177.093 -0.288 1
1 1230 . 13 1 1 A 99 99 PHE CA C 177 62.277 61.287 0.990 1
1 1231 . 13 1 1 A 99 99 PHE CB C 177 38.948 39.330 -0.382 1
1 1237 . 13 1 1 A 99 99 PHE N N 177 123.837 121.453 2.384 1
1 1238 . 13 1 1 A 100 100 LEU H H 178 8.532 8.224 0.308 1
1 1239 . 13 1 1 A 100 100 LEU HA H 178 4.028 3.710 0.318 1
1 1249 . 13 1 1 A 100 100 LEU C C 178 179.884 179.240 0.644 1
1 1250 . 13 1 1 A 100 100 LEU CA C 178 58.046 57.874 0.172 1
1 1251 . 13 1 1 A 100 100 LEU CB C 178 41.419 41.380 0.039 1
1 1255 . 13 1 1 A 100 100 LEU N N 178 119.496 119.123 0.373 1
1 1256 . 13 1 1 A 101 101 GLU H H 179 8.769 8.478 0.291 1
1 1257 . 13 1 1 A 101 101 GLU HA H 179 4.043 3.940 0.103 1
1 1262 . 13 1 1 A 101 101 GLU C C 179 179.881 179.366 0.515 1
1 1263 . 13 1 1 A 101 101 GLU CA C 179 59.465 59.667 -0.202 1
1 1264 . 13 1 1 A 101 101 GLU CB C 179 29.478 29.004 0.474 1
1 1266 . 13 1 1 A 101 101 GLU N N 179 120.825 118.341 2.484 1
1 1267 . 13 1 1 A 102 102 ASN H H 180 7.865 7.709 0.156 1
1 1268 . 13 1 1 A 102 102 ASN HA H 180 4.329 4.398 -0.069 1
1 1273 . 13 1 1 A 102 102 ASN C C 180 176.692 177.363 -0.671 1
1 1274 . 13 1 1 A 102 102 ASN CA C 180 57.537 55.817 1.720 1
1 1275 . 13 1 1 A 102 102 ASN CB C 180 40.085 38.551 1.534 1
1 1276 . 13 1 1 A 102 102 ASN N N 180 116.591 118.674 -2.083 1
1 1278 . 13 1 1 A 103 103 ALA H H 181 8.744 8.057 0.687 1
1 1279 . 13 1 1 A 103 103 ALA HA H 181 4.130 3.965 0.165 1
1 1283 . 13 1 1 A 103 103 ALA C C 181 179.546 179.283 0.263 1
1 1284 . 13 1 1 A 103 103 ALA CA C 181 55.148 54.954 0.194 1
1 1285 . 13 1 1 A 103 103 ALA CB C 181 18.154 17.850 0.304 1
1 1286 . 13 1 1 A 103 103 ALA N N 181 122.431 122.129 0.302 1
1 1287 . 13 1 1 A 104 104 LYS H H 182 8.493 7.928 0.565 1
1 1288 . 13 1 1 A 104 104 LYS HA H 182 3.786 3.751 0.035 1
1 1297 . 13 1 1 A 104 104 LYS C C 182 180.012 179.069 0.943 1
1 1298 . 13 1 1 A 104 104 LYS CA C 182 58.547 59.559 -1.012 1
1 1299 . 13 1 1 A 104 104 LYS CB C 182 31.194 32.444 -1.250 1
1 1303 . 13 1 1 A 104 104 LYS N N 182 119.195 117.941 1.254 1
1 1304 . 13 1 1 A 105 105 LYS H H 183 7.661 7.539 0.122 1
1 1305 . 13 1 1 A 105 105 LYS HA H 183 4.111 4.109 0.002 1
1 1314 . 13 1 1 A 105 105 LYS C C 183 178.010 178.464 -0.454 1
1 1315 . 13 1 1 A 105 105 LYS CA C 183 58.823 58.226 0.597 1
1 1316 . 13 1 1 A 105 105 LYS CB C 183 32.287 32.218 0.069 1
1 1320 . 13 1 1 A 105 105 LYS N N 183 120.301 118.996 1.305 1
1 1321 . 13 1 1 A 106 106 LEU H H 184 7.403 7.551 -0.148 1
1 1322 . 13 1 1 A 106 106 LEU HA H 184 4.385 4.194 0.191 1
1 1331 . 13 1 1 A 106 106 LEU C C 184 176.332 176.572 -0.240 1
1 1332 . 13 1 1 A 106 106 LEU CA C 184 54.857 55.334 -0.477 1
1 1333 . 13 1 1 A 106 106 LEU CB C 184 42.054 42.249 -0.195 1
1 1336 . 13 1 1 A 106 106 LEU N N 184 118.606 117.675 0.931 1
1 1337 . 13 1 1 A 107 107 SER H H 185 8.123 8.119 0.004 1
1 1338 . 13 1 1 A 107 107 SER HA H 185 4.202 4.078 0.124 1
1 1341 . 13 1 1 A 107 107 SER C C 185 174.826 174.193 0.633 1
1 1342 . 13 1 1 A 107 107 SER CA C 185 58.894 59.241 -0.347 1
1 1343 . 13 1 1 A 107 107 SER CB C 185 61.684 60.790 0.894 1
1 1344 . 13 1 1 A 107 107 SER N N 185 113.023 114.221 -1.198 1
1 1345 . 13 1 1 A 108 108 MET H H 186 8.212 7.585 0.627 1
1 1346 . 13 1 1 A 108 108 MET HA H 186 4.188 4.433 -0.245 1
1 1354 . 13 1 1 A 108 108 MET C C 186 174.495 176.337 -1.842 1
1 1355 . 13 1 1 A 108 108 MET CA C 186 57.328 57.789 -0.461 1
1 1356 . 13 1 1 A 108 108 MET CB C 186 33.414 33.938 -0.524 1
1 1359 . 13 1 1 A 108 108 MET N N 186 117.267 118.356 -1.089 1
1 4 . 14 1 1 A 2 2 SER HA H 80 4.477 4.799 -0.322 1
1 7 . 14 1 1 A 2 2 SER CA C 80 58.344 59.321 -0.977 1
1 8 . 14 1 1 A 2 2 SER CB C 80 64.002 65.799 -1.797 1
1 9 . 14 1 1 A 3 3 HIS HA H 81 4.614 4.756 -0.142 1
1 13 . 14 1 1 A 3 3 HIS C C 81 174.681 174.109 0.572 1
1 14 . 14 1 1 A 3 3 HIS CA C 81 56.231 54.996 1.235 1
1 15 . 14 1 1 A 3 3 HIS CB C 81 29.839 30.395 -0.556 1
1 17 . 14 1 1 A 4 4 MET H H 82 8.285 7.761 0.524 1
1 18 . 14 1 1 A 4 4 MET HA H 82 4.416 4.617 -0.201 1
1 26 . 14 1 1 A 4 4 MET C C 82 175.286 173.546 1.740 1
1 27 . 14 1 1 A 4 4 MET CA C 82 55.165 54.754 0.411 1
1 28 . 14 1 1 A 4 4 MET CB C 82 32.988 35.666 -2.678 1
1 31 . 14 1 1 A 4 4 MET N N 82 121.559 119.915 1.644 1
1 32 . 14 1 1 A 5 5 ASP H H 83 8.362 8.838 -0.476 1
1 33 . 14 1 1 A 5 5 ASP HA H 83 4.844 5.252 -0.408 1
1 36 . 14 1 1 A 5 5 ASP C C 83 175.239 175.659 -0.420 1
1 37 . 14 1 1 A 5 5 ASP CA C 83 52.238 50.105 2.133 1
1 38 . 14 1 1 A 5 5 ASP CB C 83 41.471 42.469 -0.998 1
1 39 . 14 1 1 A 5 5 ASP N N 83 124.060 125.410 -1.350 1
1 40 . 14 1 1 A 6 6 PRO HA H 84 4.327 4.432 -0.105 1
1 47 . 14 1 1 A 6 6 PRO C C 84 177.388 177.517 -0.129 1
1 48 . 14 1 1 A 6 6 PRO CA C 84 64.084 64.557 -0.473 1
1 49 . 14 1 1 A 6 6 PRO CB C 84 32.022 32.043 -0.021 1
1 52 . 14 1 1 A 7 7 ALA H H 85 8.406 7.591 0.815 1
1 53 . 14 1 1 A 7 7 ALA HA H 85 4.239 4.281 -0.042 1
1 57 . 14 1 1 A 7 7 ALA C C 85 178.462 177.135 1.327 1
1 58 . 14 1 1 A 7 7 ALA CA C 85 53.223 53.533 -0.310 1
1 59 . 14 1 1 A 7 7 ALA CB C 85 18.801 19.947 -1.146 1
1 60 . 14 1 1 A 7 7 ALA N N 85 121.868 117.896 3.972 1
1 61 . 14 1 1 A 8 8 GLN H H 86 7.985 7.848 0.137 1
1 62 . 14 1 1 A 8 8 GLN HA H 86 4.264 4.028 0.236 1
1 69 . 14 1 1 A 8 8 GLN C C 86 176.124 176.229 -0.105 1
1 70 . 14 1 1 A 8 8 GLN CA C 86 56.101 56.604 -0.503 1
1 71 . 14 1 1 A 8 8 GLN CB C 86 29.456 26.208 3.248 1
1 73 . 14 1 1 A 8 8 GLN N N 86 117.727 113.589 4.138 1
1 75 . 14 1 1 A 9 9 LEU H H 87 8.102 7.831 0.271 1
1 76 . 14 1 1 A 9 9 LEU HA H 87 4.394 3.912 0.482 1
1 86 . 14 1 1 A 9 9 LEU C C 87 177.923 178.632 -0.709 1
1 87 . 14 1 1 A 9 9 LEU CA C 87 55.454 58.075 -2.621 1
1 88 . 14 1 1 A 9 9 LEU CB C 87 42.188 41.260 0.928 1
1 92 . 14 1 1 A 9 9 LEU N N 87 122.045 119.664 2.381 1
1 93 . 14 1 1 A 10 10 THR H H 88 7.902 7.999 -0.097 1
1 94 . 14 1 1 A 10 10 THR HA H 88 4.258 3.843 0.415 1
1 99 . 14 1 1 A 10 10 THR C C 88 175.742 176.472 -0.730 1
1 100 . 14 1 1 A 10 10 THR CA C 88 62.974 66.928 -3.954 1
1 101 . 14 1 1 A 10 10 THR CB C 88 69.759 68.778 0.981 1
1 103 . 14 1 1 A 10 10 THR N N 88 113.859 115.493 -1.634 1
1 104 . 14 1 1 A 11 11 GLU H H 89 8.594 8.386 0.208 1
1 105 . 14 1 1 A 11 11 GLU HA H 89 4.213 3.957 0.256 1
1 110 . 14 1 1 A 11 11 GLU C C 89 177.577 178.350 -0.773 1
1 111 . 14 1 1 A 11 11 GLU CA C 89 58.496 59.335 -0.839 1
1 112 . 14 1 1 A 11 11 GLU CB C 89 29.751 29.525 0.226 1
1 114 . 14 1 1 A 11 11 GLU N N 89 122.144 121.720 0.424 1
1 115 . 14 1 1 A 12 12 ASP H H 90 8.244 7.676 0.568 1
1 116 . 14 1 1 A 12 12 ASP HA H 90 4.419 4.447 -0.028 1
1 119 . 14 1 1 A 12 12 ASP C C 90 178.623 178.746 -0.123 1
1 120 . 14 1 1 A 12 12 ASP CA C 90 56.589 57.099 -0.510 1
1 121 . 14 1 1 A 12 12 ASP CB C 90 40.332 40.824 -0.492 1
1 122 . 14 1 1 A 12 12 ASP N N 90 119.922 118.125 1.797 1
1 123 . 14 1 1 A 13 13 ILE H H 91 8.092 7.895 0.197 1
1 124 . 14 1 1 A 13 13 ILE HA H 91 3.987 3.509 0.478 1
1 134 . 14 1 1 A 13 13 ILE C C 91 177.124 178.245 -1.121 1
1 135 . 14 1 1 A 13 13 ILE CA C 91 63.562 65.070 -1.508 1
1 136 . 14 1 1 A 13 13 ILE CB C 91 37.830 37.327 0.503 1
1 140 . 14 1 1 A 13 13 ILE N N 91 122.909 120.137 2.772 1
1 141 . 14 1 1 A 14 14 THR H H 92 8.045 8.827 -0.782 1
1 142 . 14 1 1 A 14 14 THR HA H 92 4.040 3.940 0.100 1
1 147 . 14 1 1 A 14 14 THR C C 92 177.358 176.890 0.468 1
1 148 . 14 1 1 A 14 14 THR CA C 92 66.244 65.665 0.579 1
1 149 . 14 1 1 A 14 14 THR CB C 92 68.629 69.057 -0.428 1
1 151 . 14 1 1 A 14 14 THR N N 92 116.529 114.383 2.146 1
1 152 . 14 1 1 A 15 15 ARG H H 93 7.984 8.069 -0.085 1
1 153 . 14 1 1 A 15 15 ARG HA H 93 3.974 3.863 0.111 1
1 161 . 14 1 1 A 15 15 ARG C C 93 177.719 178.063 -0.344 1
1 162 . 14 1 1 A 15 15 ARG CA C 93 60.312 59.801 0.511 1
1 163 . 14 1 1 A 15 15 ARG CB C 93 30.591 29.640 0.951 1
1 166 . 14 1 1 A 15 15 ARG N N 93 121.521 120.092 1.429 1
1 167 . 14 1 1 A 16 16 TYR H H 94 7.948 7.696 0.252 1
1 168 . 14 1 1 A 16 16 TYR HA H 94 4.045 4.183 -0.138 1
1 175 . 14 1 1 A 16 16 TYR C C 94 177.690 177.096 0.594 1
1 176 . 14 1 1 A 16 16 TYR CA C 94 61.568 61.271 0.297 1
1 177 . 14 1 1 A 16 16 TYR CB C 94 37.543 38.332 -0.789 1
1 182 . 14 1 1 A 16 16 TYR N N 94 120.911 120.256 0.655 1
1 183 . 14 1 1 A 17 17 TYR H H 95 8.143 7.820 0.323 1
1 184 . 14 1 1 A 17 17 TYR HA H 95 4.049 4.118 -0.069 1
1 191 . 14 1 1 A 17 17 TYR C C 95 179.000 178.295 0.705 1
1 192 . 14 1 1 A 17 17 TYR CA C 95 61.454 61.138 0.316 1
1 193 . 14 1 1 A 17 17 TYR CB C 95 37.483 37.422 0.061 1
1 198 . 14 1 1 A 17 17 TYR N N 95 117.066 117.851 -0.785 1
1 199 . 14 1 1 A 18 18 LEU H H 96 7.976 8.501 -0.525 1
1 200 . 14 1 1 A 18 18 LEU HA H 96 4.203 4.040 0.163 1
1 210 . 14 1 1 A 18 18 LEU C C 96 178.998 178.286 0.712 1
1 211 . 14 1 1 A 18 18 LEU CA C 96 58.097 57.875 0.222 1
1 212 . 14 1 1 A 18 18 LEU CB C 96 41.814 41.794 0.020 1
1 216 . 14 1 1 A 18 18 LEU N N 96 123.012 121.506 1.506 1
1 217 . 14 1 1 A 19 19 CYS H H 97 8.163 8.562 -0.399 1
1 218 . 14 1 1 A 19 19 CYS HA H 97 3.783 3.923 -0.140 1
1 221 . 14 1 1 A 19 19 CYS C C 97 176.663 177.190 -0.527 1
1 222 . 14 1 1 A 19 19 CYS CA C 97 64.973 63.342 1.631 1
1 223 . 14 1 1 A 19 19 CYS CB C 97 25.966 27.088 -1.122 1
1 224 . 14 1 1 A 19 19 CYS N N 97 117.202 117.159 0.043 1
1 225 . 14 1 1 A 20 20 LEU H H 98 7.863 8.060 -0.197 1
1 226 . 14 1 1 A 20 20 LEU HA H 98 3.681 3.791 -0.110 1
1 236 . 14 1 1 A 20 20 LEU C C 98 179.392 179.276 0.116 1
1 237 . 14 1 1 A 20 20 LEU CA C 98 58.319 58.046 0.273 1
1 238 . 14 1 1 A 20 20 LEU CB C 98 41.944 41.283 0.661 1
1 242 . 14 1 1 A 20 20 LEU N N 98 118.833 120.106 -1.273 1
1 243 . 14 1 1 A 21 21 GLN H H 99 7.658 7.750 -0.092 1
1 244 . 14 1 1 A 21 21 GLN HA H 99 3.909 4.087 -0.178 1
1 251 . 14 1 1 A 21 21 GLN C C 99 178.326 179.050 -0.724 1
1 252 . 14 1 1 A 21 21 GLN CA C 99 58.704 58.679 0.025 1
1 253 . 14 1 1 A 21 21 GLN CB C 99 28.630 28.171 0.459 1
1 255 . 14 1 1 A 21 21 GLN N N 99 118.958 117.818 1.140 1
1 257 . 14 1 1 A 22 22 LEU H H 100 8.214 8.182 0.032 1
1 258 . 14 1 1 A 22 22 LEU HA H 100 4.150 4.087 0.063 1
1 268 . 14 1 1 A 22 22 LEU C C 100 179.438 179.132 0.306 1
1 269 . 14 1 1 A 22 22 LEU CA C 100 58.320 57.798 0.522 1
1 270 . 14 1 1 A 22 22 LEU CB C 100 42.816 41.432 1.384 1
1 274 . 14 1 1 A 22 22 LEU N N 100 119.829 119.440 0.389 1
1 275 . 14 1 1 A 23 23 ARG H H 101 8.722 8.540 0.182 1
1 276 . 14 1 1 A 23 23 ARG HA H 101 3.946 3.999 -0.053 1
1 284 . 14 1 1 A 23 23 ARG C C 101 179.448 178.996 0.452 1
1 285 . 14 1 1 A 23 23 ARG CA C 101 60.910 59.365 1.545 1
1 286 . 14 1 1 A 23 23 ARG CB C 101 29.853 29.650 0.203 1
1 288 . 14 1 1 A 23 23 ARG N N 101 117.690 119.726 -2.036 1
1 289 . 14 1 1 A 24 24 GLN H H 102 7.804 8.360 -0.556 1
1 290 . 14 1 1 A 24 24 GLN HA H 102 4.015 4.072 -0.057 1
1 297 . 14 1 1 A 24 24 GLN C C 102 178.951 177.865 1.086 1
1 298 . 14 1 1 A 24 24 GLN CA C 102 58.785 58.960 -0.175 1
1 299 . 14 1 1 A 24 24 GLN CB C 102 28.263 28.049 0.214 1
1 301 . 14 1 1 A 24 24 GLN N N 102 117.686 118.123 -0.437 1
1 303 . 14 1 1 A 25 25 ASP H H 103 8.393 7.769 0.624 1
1 304 . 14 1 1 A 25 25 ASP HA H 103 4.414 4.473 -0.059 1
1 307 . 14 1 1 A 25 25 ASP C C 103 179.476 178.838 0.638 1
1 308 . 14 1 1 A 25 25 ASP CA C 103 57.753 57.344 0.409 1
1 309 . 14 1 1 A 25 25 ASP CB C 103 40.432 41.086 -0.654 1
1 310 . 14 1 1 A 25 25 ASP N N 103 122.118 119.921 2.197 1
1 311 . 14 1 1 A 26 26 ILE H H 104 8.737 7.837 0.900 1
1 312 . 14 1 1 A 26 26 ILE HA H 104 3.761 3.659 0.102 1
1 320 . 14 1 1 A 26 26 ILE C C 104 180.320 178.059 2.261 1
1 321 . 14 1 1 A 26 26 ILE CA C 104 65.902 65.350 0.552 1
1 322 . 14 1 1 A 26 26 ILE CB C 104 38.826 37.986 0.840 1
1 325 . 14 1 1 A 26 26 ILE N N 104 122.668 120.624 2.044 1
1 326 . 14 1 1 A 27 27 VAL H H 105 7.923 7.799 0.124 1
1 327 . 14 1 1 A 27 27 VAL HA H 105 3.077 3.887 -0.810 1
1 335 . 14 1 1 A 27 27 VAL C C 105 176.073 177.893 -1.820 1
1 336 . 14 1 1 A 27 27 VAL CA C 105 67.080 64.741 2.339 1
1 337 . 14 1 1 A 27 27 VAL CB C 105 31.450 31.559 -0.109 1
1 340 . 14 1 1 A 27 27 VAL N N 105 121.194 116.637 4.557 1
1 341 . 14 1 1 A 28 28 ALA H H 106 7.892 7.171 0.721 1
1 342 . 14 1 1 A 28 28 ALA HA H 106 4.286 4.310 -0.024 1
1 346 . 14 1 1 A 28 28 ALA C C 106 178.366 177.798 0.568 1
1 347 . 14 1 1 A 28 28 ALA CA C 106 52.572 51.998 0.574 1
1 348 . 14 1 1 A 28 28 ALA CB C 106 19.616 19.417 0.199 1
1 349 . 14 1 1 A 28 28 ALA N N 106 117.103 121.788 -4.685 1
1 350 . 14 1 1 A 29 29 GLY H H 107 7.670 8.003 -0.333 1
1 351 . 14 1 1 A 29 29 GLY HA2 H 107 4.181 3.949 0.232 1
1 352 . 14 1 1 A 29 29 GLY HA3 H 107 3.924 3.952 -0.028 1
1 353 . 14 1 1 A 29 29 GLY C C 107 174.596 174.857 -0.261 1
1 354 . 14 1 1 A 29 29 GLY CA C 107 45.157 46.516 -1.359 1
1 355 . 14 1 1 A 29 29 GLY N N 107 105.038 106.869 -1.831 1
1 356 . 14 1 1 A 30 30 ARG H H 108 7.972 7.995 -0.023 1
1 357 . 14 1 1 A 30 30 ARG HA H 108 4.185 4.372 -0.187 1
1 365 . 14 1 1 A 30 30 ARG C C 108 175.874 175.576 0.298 1
1 366 . 14 1 1 A 30 30 ARG CA C 108 57.987 57.457 0.530 1
1 367 . 14 1 1 A 30 30 ARG CB C 108 31.218 30.805 0.413 1
1 370 . 14 1 1 A 30 30 ARG N N 108 118.333 121.563 -3.230 1
1 371 . 14 1 1 A 31 31 LEU H H 109 6.696 7.549 -0.853 1
1 372 . 14 1 1 A 31 31 LEU HA H 109 4.939 4.761 0.178 1
1 382 . 14 1 1 A 31 31 LEU C C 109 173.324 174.672 -1.348 1
1 383 . 14 1 1 A 31 31 LEU CA C 109 50.930 51.613 -0.683 1
1 384 . 14 1 1 A 31 31 LEU CB C 109 43.480 44.825 -1.345 1
1 388 . 14 1 1 A 31 31 LEU N N 109 118.681 120.031 -1.350 1
1 389 . 14 1 1 A 32 32 PRO HA H 110 4.411 4.503 -0.092 1
1 396 . 14 1 1 A 32 32 PRO C C 110 176.694 176.044 0.650 1
1 397 . 14 1 1 A 32 32 PRO CA C 110 63.123 63.189 -0.066 1
1 398 . 14 1 1 A 32 32 PRO CB C 110 32.022 32.057 -0.035 1
1 401 . 14 1 1 A 33 33 CYS H H 111 8.273 8.477 -0.204 1
1 402 . 14 1 1 A 33 33 CYS HA H 111 4.834 5.016 -0.182 1
1 405 . 14 1 1 A 33 33 CYS C C 111 173.523 172.790 0.733 1
1 406 . 14 1 1 A 33 33 CYS CA C 111 57.890 58.125 -0.235 1
1 407 . 14 1 1 A 33 33 CYS CB C 111 32.282 32.902 -0.620 1
1 408 . 14 1 1 A 33 33 CYS N N 111 119.113 122.257 -3.144 1
1 409 . 14 1 1 A 34 34 SER H H 112 8.738 8.796 -0.058 1
1 410 . 14 1 1 A 34 34 SER HA H 112 4.527 4.948 -0.421 1
1 413 . 14 1 1 A 34 34 SER C C 112 173.709 175.196 -1.487 1
1 414 . 14 1 1 A 34 34 SER CA C 112 57.256 56.181 1.075 1
1 415 . 14 1 1 A 34 34 SER CB C 112 65.433 65.593 -0.160 1
1 416 . 14 1 1 A 34 34 SER N N 112 118.212 117.423 0.789 1
1 417 . 14 1 1 A 35 35 PHE H H 113 9.027 9.231 -0.204 1
1 418 . 14 1 1 A 35 35 PHE HA H 113 4.047 4.060 -0.013 1
1 426 . 14 1 1 A 35 35 PHE C C 113 176.433 177.236 -0.803 1
1 427 . 14 1 1 A 35 35 PHE CA C 113 62.623 62.736 -0.113 1
1 428 . 14 1 1 A 35 35 PHE CB C 113 39.128 39.765 -0.637 1
1 434 . 14 1 1 A 35 35 PHE N N 113 122.209 126.090 -3.881 1
1 435 . 14 1 1 A 36 36 ALA H H 114 8.631 8.404 0.227 1
1 436 . 14 1 1 A 36 36 ALA HA H 114 3.926 4.024 -0.098 1
1 440 . 14 1 1 A 36 36 ALA C C 114 181.064 179.833 1.231 1
1 441 . 14 1 1 A 36 36 ALA CA C 114 55.300 55.100 0.200 1
1 442 . 14 1 1 A 36 36 ALA CB C 114 18.423 18.264 0.159 1
1 443 . 14 1 1 A 36 36 ALA N N 114 118.977 121.196 -2.219 1
1 444 . 14 1 1 A 37 37 THR H H 115 7.886 7.850 0.036 1
1 445 . 14 1 1 A 37 37 THR HA H 115 3.859 3.975 -0.116 1
1 450 . 14 1 1 A 37 37 THR C C 115 175.630 176.785 -1.155 1
1 451 . 14 1 1 A 37 37 THR CA C 115 66.294 66.678 -0.384 1
1 452 . 14 1 1 A 37 37 THR CB C 115 68.298 68.171 0.127 1
1 454 . 14 1 1 A 37 37 THR N N 115 117.602 114.566 3.036 1
1 455 . 14 1 1 A 38 38 LEU H H 116 8.740 8.199 0.541 1
1 456 . 14 1 1 A 38 38 LEU HA H 116 3.904 3.928 -0.024 1
1 466 . 14 1 1 A 38 38 LEU C C 116 180.666 179.247 1.419 1
1 467 . 14 1 1 A 38 38 LEU CA C 116 58.166 57.740 0.426 1
1 468 . 14 1 1 A 38 38 LEU CB C 116 43.034 41.233 1.801 1
1 472 . 14 1 1 A 38 38 LEU N N 116 122.945 121.232 1.713 1
1 473 . 14 1 1 A 39 39 ALA H H 117 8.151 8.012 0.139 1
1 474 . 14 1 1 A 39 39 ALA HA H 117 3.776 3.918 -0.142 1
1 478 . 14 1 1 A 39 39 ALA C C 117 178.461 179.634 -1.173 1
1 479 . 14 1 1 A 39 39 ALA CA C 117 53.839 54.860 -1.021 1
1 480 . 14 1 1 A 39 39 ALA CB C 117 17.406 18.165 -0.759 1
1 481 . 14 1 1 A 39 39 ALA N N 117 120.752 121.594 -0.842 1
1 482 . 14 1 1 A 40 40 LEU H H 118 7.801 8.068 -0.267 1
1 483 . 14 1 1 A 40 40 LEU HA H 118 3.892 4.043 -0.151 1
1 492 . 14 1 1 A 40 40 LEU C C 118 180.428 178.456 1.972 1
1 493 . 14 1 1 A 40 40 LEU CA C 118 57.978 57.891 0.087 1
1 494 . 14 1 1 A 40 40 LEU CB C 118 42.699 41.940 0.759 1
1 497 . 14 1 1 A 40 40 LEU N N 118 119.699 120.115 -0.416 1
1 498 . 14 1 1 A 41 41 LEU H H 119 9.153 8.883 0.270 1
1 499 . 14 1 1 A 41 41 LEU HA H 119 4.181 4.440 -0.259 1
1 509 . 14 1 1 A 41 41 LEU C C 119 179.132 179.291 -0.159 1
1 510 . 14 1 1 A 41 41 LEU CA C 119 58.696 58.309 0.387 1
1 511 . 14 1 1 A 41 41 LEU CB C 119 39.102 41.926 -2.824 1
1 515 . 14 1 1 A 41 41 LEU N N 119 118.687 119.079 -0.392 1
1 516 . 14 1 1 A 42 42 GLY H H 120 8.253 8.198 0.055 1
1 517 . 14 1 1 A 42 42 GLY HA2 H 120 4.016 3.788 0.228 1
1 518 . 14 1 1 A 42 42 GLY HA3 H 120 3.610 3.808 -0.198 1
1 519 . 14 1 1 A 42 42 GLY C C 120 175.046 176.385 -1.339 1
1 520 . 14 1 1 A 42 42 GLY CA C 120 48.060 47.480 0.580 1
1 521 . 14 1 1 A 42 42 GLY N N 120 106.562 106.976 -0.414 1
1 522 . 14 1 1 A 43 43 SER H H 121 8.456 8.369 0.087 1
1 523 . 14 1 1 A 43 43 SER HA H 121 3.928 4.072 -0.144 1
1 526 . 14 1 1 A 43 43 SER C C 121 175.318 176.193 -0.875 1
1 527 . 14 1 1 A 43 43 SER CA C 121 62.651 62.964 -0.313 1
1 528 . 14 1 1 A 43 43 SER CB C 121 62.722 63.231 -0.509 1
1 529 . 14 1 1 A 43 43 SER N N 121 117.787 118.697 -0.910 1
1 530 . 14 1 1 A 44 44 TYR H H 122 7.311 7.648 -0.337 1
1 531 . 14 1 1 A 44 44 TYR HA H 122 4.635 4.328 0.307 1
1 538 . 14 1 1 A 44 44 TYR C C 122 178.731 178.263 0.468 1
1 539 . 14 1 1 A 44 44 TYR CA C 122 61.704 60.453 1.251 1
1 540 . 14 1 1 A 44 44 TYR CB C 122 38.809 37.887 0.922 1
1 545 . 14 1 1 A 44 44 TYR N N 122 123.923 120.425 3.498 1
1 546 . 14 1 1 A 45 45 THR H H 123 8.748 8.082 0.666 1
1 547 . 14 1 1 A 45 45 THR HA H 123 3.747 3.924 -0.177 1
1 552 . 14 1 1 A 45 45 THR C C 123 175.781 176.732 -0.951 1
1 553 . 14 1 1 A 45 45 THR CA C 123 67.015 66.989 0.026 1
1 554 . 14 1 1 A 45 45 THR CB C 123 67.670 67.825 -0.155 1
1 556 . 14 1 1 A 45 45 THR N N 123 121.374 115.085 6.289 1
1 557 . 14 1 1 A 46 46 ILE H H 124 8.131 7.841 0.290 1
1 558 . 14 1 1 A 46 46 ILE HA H 124 3.161 3.126 0.035 1
1 568 . 14 1 1 A 46 46 ILE C C 124 177.130 177.805 -0.675 1
1 569 . 14 1 1 A 46 46 ILE CA C 124 62.478 65.390 -2.912 1
1 570 . 14 1 1 A 46 46 ILE CB C 124 35.268 37.397 -2.129 1
1 574 . 14 1 1 A 46 46 ILE N N 124 119.593 121.450 -1.857 1
1 575 . 14 1 1 A 47 47 GLN H H 125 7.871 7.968 -0.097 1
1 576 . 14 1 1 A 47 47 GLN HA H 125 4.110 3.917 0.193 1
1 583 . 14 1 1 A 47 47 GLN C C 125 178.150 178.107 0.043 1
1 584 . 14 1 1 A 47 47 GLN CA C 125 58.333 58.614 -0.281 1
1 585 . 14 1 1 A 47 47 GLN CB C 125 27.448 28.185 -0.737 1
1 587 . 14 1 1 A 47 47 GLN N N 125 121.155 120.234 0.921 1
1 589 . 14 1 1 A 48 48 SER H H 126 8.194 7.910 0.284 1
1 590 . 14 1 1 A 48 48 SER HA H 126 4.055 4.158 -0.103 1
1 593 . 14 1 1 A 48 48 SER C C 126 176.209 176.543 -0.334 1
1 594 . 14 1 1 A 48 48 SER CA C 126 60.823 61.292 -0.469 1
1 595 . 14 1 1 A 48 48 SER CB C 126 63.592 62.921 0.671 1
1 596 . 14 1 1 A 48 48 SER N N 126 111.964 114.639 -2.675 1
1 597 . 14 1 1 A 49 49 GLU H H 127 8.009 8.021 -0.012 1
1 598 . 14 1 1 A 49 49 GLU HA H 127 4.296 4.195 0.101 1
1 603 . 14 1 1 A 49 49 GLU C C 127 178.319 177.948 0.371 1
1 604 . 14 1 1 A 49 49 GLU CA C 127 58.376 58.571 -0.195 1
1 605 . 14 1 1 A 49 49 GLU CB C 127 30.928 30.042 0.886 1
1 607 . 14 1 1 A 49 49 GLU N N 127 116.052 121.354 -5.302 1
1 608 . 14 1 1 A 50 50 LEU H H 128 8.916 8.523 0.393 1
1 609 . 14 1 1 A 50 50 LEU HA H 128 4.549 4.584 -0.035 1
1 619 . 14 1 1 A 50 50 LEU C C 128 178.447 177.443 1.004 1
1 620 . 14 1 1 A 50 50 LEU CA C 128 55.159 54.538 0.621 1
1 621 . 14 1 1 A 50 50 LEU CB C 128 43.500 42.923 0.577 1
1 625 . 14 1 1 A 50 50 LEU N N 128 117.044 116.444 0.600 1
1 626 . 14 1 1 A 51 51 GLY H H 129 7.710 8.028 -0.318 1
1 627 . 14 1 1 A 51 51 GLY HA2 H 129 4.261 4.172 0.089 1
1 628 . 14 1 1 A 51 51 GLY HA3 H 129 3.994 4.178 -0.184 1
1 629 . 14 1 1 A 51 51 GLY C C 129 172.406 173.737 -1.331 1
1 630 . 14 1 1 A 51 51 GLY CA C 129 44.162 44.930 -0.768 1
1 631 . 14 1 1 A 51 51 GLY N N 129 109.110 107.179 1.931 1
1 632 . 14 1 1 A 52 52 ASP H H 130 8.131 8.629 -0.498 1
1 633 . 14 1 1 A 52 52 ASP HA H 130 4.577 4.659 -0.082 1
1 636 . 14 1 1 A 52 52 ASP C C 130 176.862 176.209 0.653 1
1 637 . 14 1 1 A 52 52 ASP CA C 130 54.581 55.238 -0.657 1
1 638 . 14 1 1 A 52 52 ASP CB C 130 41.028 41.468 -0.440 1
1 639 . 14 1 1 A 52 52 ASP N N 130 118.844 121.757 -2.913 1
1 640 . 14 1 1 A 53 53 TYR H H 131 8.732 8.698 0.034 1
1 641 . 14 1 1 A 53 53 TYR HA H 131 4.410 4.417 -0.007 1
1 648 . 14 1 1 A 53 53 TYR C C 131 174.929 174.534 0.395 1
1 649 . 14 1 1 A 53 53 TYR CA C 131 58.452 59.553 -1.101 1
1 650 . 14 1 1 A 53 53 TYR CB C 131 37.536 39.011 -1.475 1
1 655 . 14 1 1 A 53 53 TYR N N 131 121.518 123.524 -2.006 1
1 656 . 14 1 1 A 54 54 ASP H H 132 9.981 8.209 1.772 1
1 657 . 14 1 1 A 54 54 ASP HA H 132 4.652 4.810 -0.158 1
1 660 . 14 1 1 A 54 54 ASP CA C 132 49.843 51.648 -1.805 1
1 661 . 14 1 1 A 54 54 ASP CB C 132 42.737 41.505 1.232 1
1 662 . 14 1 1 A 54 54 ASP N N 132 132.995 127.123 5.872 1
1 663 . 14 1 1 A 55 55 PRO HA H 133 4.117 4.122 -0.005 1
1 670 . 14 1 1 A 55 55 PRO C C 133 178.353 178.197 0.156 1
1 671 . 14 1 1 A 55 55 PRO CA C 133 64.216 64.397 -0.181 1
1 672 . 14 1 1 A 55 55 PRO CB C 133 32.133 32.081 0.052 1
1 675 . 14 1 1 A 56 56 GLU H H 134 7.968 8.966 -0.998 1
1 676 . 14 1 1 A 56 56 GLU HA H 134 4.047 4.063 -0.016 1
1 681 . 14 1 1 A 56 56 GLU C C 134 177.001 178.236 -1.235 1
1 682 . 14 1 1 A 56 56 GLU CA C 134 57.984 58.775 -0.791 1
1 683 . 14 1 1 A 56 56 GLU CB C 134 29.667 28.436 1.231 1
1 685 . 14 1 1 A 56 56 GLU N N 134 116.491 116.367 0.124 1
1 686 . 14 1 1 A 57 57 LEU H H 135 7.137 7.399 -0.262 1
1 687 . 14 1 1 A 57 57 LEU HA H 135 4.186 4.210 -0.024 1
1 697 . 14 1 1 A 57 57 LEU C C 135 177.695 176.667 1.028 1
1 698 . 14 1 1 A 57 57 LEU CA C 135 55.372 55.891 -0.519 1
1 699 . 14 1 1 A 57 57 LEU CB C 135 43.889 43.123 0.766 1
1 703 . 14 1 1 A 57 57 LEU N N 135 118.254 118.243 0.011 1
1 704 . 14 1 1 A 58 58 HIS H H 136 8.121 7.878 0.243 1
1 705 . 14 1 1 A 58 58 HIS HA H 136 4.560 4.513 0.047 1
1 709 . 14 1 1 A 58 58 HIS C C 136 176.135 175.020 1.115 1
1 710 . 14 1 1 A 58 58 HIS CA C 136 56.134 55.740 0.394 1
1 711 . 14 1 1 A 58 58 HIS CB C 136 31.534 30.753 0.781 1
1 713 . 14 1 1 A 58 58 HIS N N 136 120.254 116.196 4.058 1
1 714 . 14 1 1 A 59 59 GLY H H 137 7.890 8.485 -0.595 1
1 715 . 14 1 1 A 59 59 GLY HA2 H 137 4.166 4.081 0.085 1
1 716 . 14 1 1 A 59 59 GLY HA3 H 137 3.990 4.118 -0.128 1
1 717 . 14 1 1 A 59 59 GLY C C 137 175.021 174.657 0.364 1
1 718 . 14 1 1 A 59 59 GLY CA C 137 45.431 45.714 -0.283 1
1 719 . 14 1 1 A 59 59 GLY N N 137 108.183 107.801 0.382 1
1 720 . 14 1 1 A 60 60 VAL H H 138 8.519 8.344 0.175 1
1 721 . 14 1 1 A 60 60 VAL HA H 138 4.503 4.514 -0.011 1
1 729 . 14 1 1 A 60 60 VAL C C 138 176.419 176.099 0.320 1
1 730 . 14 1 1 A 60 60 VAL CA C 138 62.905 62.587 0.318 1
1 731 . 14 1 1 A 60 60 VAL CB C 138 32.421 33.658 -1.237 1
1 734 . 14 1 1 A 60 60 VAL N N 138 116.738 118.099 -1.361 1
1 735 . 14 1 1 A 61 61 ASP H H 139 8.525 8.206 0.319 1
1 736 . 14 1 1 A 61 61 ASP HA H 139 4.959 4.827 0.132 1
1 739 . 14 1 1 A 61 61 ASP C C 139 177.816 176.567 1.249 1
1 740 . 14 1 1 A 61 61 ASP CA C 139 54.278 53.447 0.831 1
1 741 . 14 1 1 A 61 61 ASP CB C 139 40.771 41.308 -0.537 1
1 742 . 14 1 1 A 61 61 ASP N N 139 120.408 121.577 -1.169 1
1 743 . 14 1 1 A 62 62 TYR H H 140 7.553 8.033 -0.480 1
1 744 . 14 1 1 A 62 62 TYR HA H 140 4.611 4.408 0.203 1
1 751 . 14 1 1 A 62 62 TYR C C 140 176.791 178.035 -1.244 1
1 752 . 14 1 1 A 62 62 TYR CA C 140 59.811 60.184 -0.373 1
1 753 . 14 1 1 A 62 62 TYR CB C 140 37.453 37.640 -0.187 1
1 758 . 14 1 1 A 62 62 TYR N N 140 118.187 119.986 -1.799 1
1 759 . 14 1 1 A 63 63 VAL H H 141 7.645 7.906 -0.261 1
1 760 . 14 1 1 A 63 63 VAL HA H 141 3.861 3.712 0.149 1
1 768 . 14 1 1 A 63 63 VAL C C 141 176.409 178.415 -2.006 1
1 769 . 14 1 1 A 63 63 VAL CA C 141 63.504 66.537 -3.033 1
1 770 . 14 1 1 A 63 63 VAL CB C 141 31.598 31.393 0.205 1
1 773 . 14 1 1 A 63 63 VAL N N 141 118.945 121.952 -3.007 1
1 774 . 14 1 1 A 64 64 SER H H 142 7.611 8.100 -0.489 1
1 775 . 14 1 1 A 64 64 SER HA H 142 4.234 4.321 -0.087 1
1 778 . 14 1 1 A 64 64 SER C C 142 175.035 175.209 -0.174 1
1 779 . 14 1 1 A 64 64 SER CA C 142 60.628 61.597 -0.969 1
1 780 . 14 1 1 A 64 64 SER CB C 142 63.183 63.188 -0.005 1
1 781 . 14 1 1 A 64 64 SER N N 142 113.661 116.890 -3.229 1
1 782 . 14 1 1 A 65 65 ASP H H 143 7.440 8.129 -0.689 1
1 783 . 14 1 1 A 65 65 ASP HA H 143 4.568 4.355 0.213 1
1 786 . 14 1 1 A 65 65 ASP C C 143 175.376 175.759 -0.383 1
1 787 . 14 1 1 A 65 65 ASP CA C 143 55.077 55.923 -0.846 1
1 788 . 14 1 1 A 65 65 ASP CB C 143 40.913 41.298 -0.385 1
1 789 . 14 1 1 A 65 65 ASP N N 143 118.332 120.469 -2.137 1
1 790 . 14 1 1 A 66 66 PHE H H 144 8.115 7.717 0.398 1
1 791 . 14 1 1 A 66 66 PHE HA H 144 4.369 4.986 -0.617 1
1 798 . 14 1 1 A 66 66 PHE C C 144 174.524 175.144 -0.620 1
1 799 . 14 1 1 A 66 66 PHE CA C 144 57.705 57.260 0.445 1
1 800 . 14 1 1 A 66 66 PHE CB C 144 41.033 41.035 -0.002 1
1 805 . 14 1 1 A 66 66 PHE N N 144 120.277 116.647 3.630 1
1 806 . 14 1 1 A 67 67 LYS H H 145 8.688 8.950 -0.262 1
1 807 . 14 1 1 A 67 67 LYS HA H 145 4.671 4.477 0.194 1
1 816 . 14 1 1 A 67 67 LYS C C 145 175.437 176.345 -0.908 1
1 817 . 14 1 1 A 67 67 LYS CA C 145 55.418 55.632 -0.214 1
1 818 . 14 1 1 A 67 67 LYS CB C 145 31.784 31.934 -0.150 1
1 822 . 14 1 1 A 67 67 LYS N N 145 122.931 124.686 -1.755 1
1 823 . 14 1 1 A 68 68 LEU H H 146 9.642 8.560 1.082 1
1 824 . 14 1 1 A 68 68 LEU HA H 146 4.484 4.424 0.060 1
1 834 . 14 1 1 A 68 68 LEU C C 146 175.512 176.608 -1.096 1
1 835 . 14 1 1 A 68 68 LEU CA C 146 54.375 55.838 -1.463 1
1 836 . 14 1 1 A 68 68 LEU CB C 146 44.114 42.618 1.496 1
1 840 . 14 1 1 A 68 68 LEU N N 146 123.156 126.379 -3.223 1
1 841 . 14 1 1 A 69 69 ALA H H 147 7.586 7.472 0.114 1
1 842 . 14 1 1 A 69 69 ALA HA H 147 4.597 4.700 -0.103 1
1 846 . 14 1 1 A 69 69 ALA C C 147 173.720 176.907 -3.187 1
1 847 . 14 1 1 A 69 69 ALA CA C 147 49.637 50.559 -0.922 1
1 848 . 14 1 1 A 69 69 ALA CB C 147 22.691 21.552 1.139 1
1 849 . 14 1 1 A 69 69 ALA N N 147 117.486 117.501 -0.015 1
1 850 . 14 1 1 A 70 70 PRO HA H 148 4.578 4.397 0.181 1
1 857 . 14 1 1 A 70 70 PRO C C 148 176.996 176.877 0.119 1
1 858 . 14 1 1 A 70 70 PRO CA C 148 64.435 65.293 -0.858 1
1 859 . 14 1 1 A 70 70 PRO CB C 148 31.448 32.029 -0.581 1
1 862 . 14 1 1 A 71 71 ASN H H 149 8.221 8.329 -0.108 1
1 863 . 14 1 1 A 71 71 ASN HA H 149 4.783 4.884 -0.101 1
1 868 . 14 1 1 A 71 71 ASN C C 149 173.865 173.992 -0.127 1
1 869 . 14 1 1 A 71 71 ASN CA C 149 52.308 52.159 0.149 1
1 870 . 14 1 1 A 71 71 ASN CB C 149 38.065 37.150 0.915 1
1 871 . 14 1 1 A 71 71 ASN N N 149 116.940 114.881 2.059 1
1 873 . 14 1 1 A 72 72 GLN H H 150 8.467 8.857 -0.390 1
1 874 . 14 1 1 A 72 72 GLN HA H 150 3.962 4.622 -0.660 1
1 881 . 14 1 1 A 72 72 GLN C C 150 174.832 174.712 0.120 1
1 882 . 14 1 1 A 72 72 GLN CA C 150 57.793 56.092 1.701 1
1 883 . 14 1 1 A 72 72 GLN CB C 150 29.029 29.321 -0.292 1
1 885 . 14 1 1 A 72 72 GLN N N 150 123.793 124.074 -0.281 1
1 887 . 14 1 1 A 73 73 THR H H 151 7.040 8.386 -1.346 1
1 888 . 14 1 1 A 73 73 THR HA H 151 4.668 4.870 -0.202 1
1 893 . 14 1 1 A 73 73 THR C C 151 175.175 176.041 -0.866 1
1 894 . 14 1 1 A 73 73 THR CA C 151 59.504 59.631 -0.127 1
1 895 . 14 1 1 A 73 73 THR CB C 151 72.544 71.151 1.393 1
1 897 . 14 1 1 A 73 73 THR N N 151 115.239 121.377 -6.138 1
1 898 . 14 1 1 A 74 74 LYS H H 152 8.949 8.922 0.027 1
1 899 . 14 1 1 A 74 74 LYS HA H 152 4.109 3.991 0.118 1
1 908 . 14 1 1 A 74 74 LYS C C 152 178.758 178.255 0.503 1
1 909 . 14 1 1 A 74 74 LYS CA C 152 58.521 59.153 -0.632 1
1 910 . 14 1 1 A 74 74 LYS CB C 152 31.372 32.003 -0.631 1
1 914 . 14 1 1 A 74 74 LYS N N 152 122.065 124.490 -2.425 1
1 915 . 14 1 1 A 75 75 GLU H H 153 8.762 8.561 0.201 1
1 916 . 14 1 1 A 75 75 GLU HA H 153 4.098 4.099 -0.001 1
1 921 . 14 1 1 A 75 75 GLU C C 153 179.947 179.710 0.237 1
1 922 . 14 1 1 A 75 75 GLU CA C 153 60.405 59.311 1.094 1
1 923 . 14 1 1 A 75 75 GLU CB C 153 28.999 29.374 -0.375 1
1 925 . 14 1 1 A 75 75 GLU N N 153 118.335 119.757 -1.422 1
1 926 . 14 1 1 A 76 76 LEU H H 154 7.726 8.034 -0.308 1
1 927 . 14 1 1 A 76 76 LEU HA H 154 4.061 3.889 0.172 1
1 937 . 14 1 1 A 76 76 LEU C C 154 178.292 178.731 -0.439 1
1 938 . 14 1 1 A 76 76 LEU CA C 154 58.188 57.626 0.562 1
1 939 . 14 1 1 A 76 76 LEU CB C 154 41.061 41.754 -0.693 1
1 943 . 14 1 1 A 76 76 LEU N N 154 121.434 121.302 0.132 1
1 944 . 14 1 1 A 77 77 GLU H H 155 8.044 8.553 -0.509 1
1 945 . 14 1 1 A 77 77 GLU HA H 155 3.394 3.920 -0.526 1
1 950 . 14 1 1 A 77 77 GLU C C 155 178.363 179.466 -1.103 1
1 951 . 14 1 1 A 77 77 GLU CA C 155 60.409 59.877 0.532 1
1 952 . 14 1 1 A 77 77 GLU CB C 155 28.697 29.052 -0.355 1
1 954 . 14 1 1 A 77 77 GLU N N 155 118.172 119.982 -1.810 1
1 955 . 14 1 1 A 78 78 GLU H H 156 8.657 8.627 0.030 1
1 956 . 14 1 1 A 78 78 GLU HA H 156 3.945 3.996 -0.051 1
1 961 . 14 1 1 A 78 78 GLU C C 156 179.197 179.265 -0.068 1
1 962 . 14 1 1 A 78 78 GLU CA C 156 59.869 59.241 0.628 1
1 963 . 14 1 1 A 78 78 GLU CB C 156 29.466 29.202 0.264 1
1 965 . 14 1 1 A 78 78 GLU N N 156 117.944 120.300 -2.356 1
1 966 . 14 1 1 A 79 79 LYS H H 157 7.564 7.742 -0.178 1
1 967 . 14 1 1 A 79 79 LYS HA H 157 4.245 4.156 0.089 1
1 976 . 14 1 1 A 79 79 LYS C C 157 178.328 178.830 -0.502 1
1 977 . 14 1 1 A 79 79 LYS CA C 157 57.557 58.715 -1.158 1
1 978 . 14 1 1 A 79 79 LYS CB C 157 30.969 32.389 -1.420 1
1 982 . 14 1 1 A 79 79 LYS N N 157 121.118 121.337 -0.219 1
1 983 . 14 1 1 A 80 80 VAL H H 158 8.412 7.630 0.782 1
1 984 . 14 1 1 A 80 80 VAL HA H 158 3.314 3.891 -0.577 1
1 992 . 14 1 1 A 80 80 VAL C C 158 177.623 177.924 -0.301 1
1 993 . 14 1 1 A 80 80 VAL CA C 158 67.250 66.253 0.997 1
1 994 . 14 1 1 A 80 80 VAL CB C 158 30.867 31.823 -0.956 1
1 997 . 14 1 1 A 80 80 VAL N N 158 119.270 119.877 -0.607 1
1 998 . 14 1 1 A 81 81 MET H H 159 8.212 7.862 0.350 1
1 999 . 14 1 1 A 81 81 MET HA H 159 4.039 4.229 -0.190 1
1 1007 . 14 1 1 A 81 81 MET C C 159 177.305 178.801 -1.496 1
1 1008 . 14 1 1 A 81 81 MET CA C 159 59.998 59.095 0.903 1
1 1009 . 14 1 1 A 81 81 MET CB C 159 33.605 33.144 0.461 1
1 1012 . 14 1 1 A 81 81 MET N N 159 117.924 117.477 0.447 1
1 1013 . 14 1 1 A 82 82 GLU H H 160 7.780 8.532 -0.752 1
1 1014 . 14 1 1 A 82 82 GLU HA H 160 3.768 3.958 -0.190 1
1 1019 . 14 1 1 A 82 82 GLU C C 160 179.468 178.867 0.601 1
1 1020 . 14 1 1 A 82 82 GLU CA C 160 59.555 59.172 0.383 1
1 1021 . 14 1 1 A 82 82 GLU CB C 160 29.831 29.459 0.372 1
1 1023 . 14 1 1 A 82 82 GLU N N 160 119.282 120.056 -0.774 1
1 1024 . 14 1 1 A 83 83 LEU H H 161 7.748 8.054 -0.306 1
1 1025 . 14 1 1 A 83 83 LEU HA H 161 3.756 3.650 0.106 1
1 1035 . 14 1 1 A 83 83 LEU C C 161 179.113 178.821 0.292 1
1 1036 . 14 1 1 A 83 83 LEU CA C 161 57.246 57.524 -0.278 1
1 1037 . 14 1 1 A 83 83 LEU CB C 161 41.824 41.413 0.411 1
1 1041 . 14 1 1 A 83 83 LEU N N 161 118.542 120.168 -1.626 1
1 1042 . 14 1 1 A 84 84 HIS H H 162 8.842 8.156 0.686 1
1 1043 . 14 1 1 A 84 84 HIS HA H 162 3.986 4.108 -0.122 1
1 1047 . 14 1 1 A 84 84 HIS C C 162 178.286 176.970 1.316 1
1 1048 . 14 1 1 A 84 84 HIS CA C 162 58.407 60.271 -1.864 1
1 1049 . 14 1 1 A 84 84 HIS CB C 162 32.405 29.716 2.689 1
1 1051 . 14 1 1 A 84 84 HIS N N 162 120.325 118.274 2.051 1
1 1052 . 14 1 1 A 85 85 LYS H H 163 7.951 7.587 0.364 1
1 1053 . 14 1 1 A 85 85 LYS HA H 163 3.383 3.653 -0.270 1
1 1062 . 14 1 1 A 85 85 LYS C C 163 177.303 179.537 -2.234 1
1 1063 . 14 1 1 A 85 85 LYS CA C 163 59.730 58.724 1.006 1
1 1064 . 14 1 1 A 85 85 LYS CB C 163 32.489 31.166 1.323 1
1 1068 . 14 1 1 A 85 85 LYS N N 163 116.598 119.322 -2.724 1
1 1069 . 14 1 1 A 86 86 SER H H 164 7.334 7.877 -0.543 1
1 1070 . 14 1 1 A 86 86 SER HA H 164 4.442 4.178 0.264 1
1 1073 . 14 1 1 A 86 86 SER C C 164 175.296 174.452 0.844 1
1 1074 . 14 1 1 A 86 86 SER CA C 164 59.708 61.522 -1.814 1
1 1075 . 14 1 1 A 86 86 SER CB C 164 64.669 62.658 2.011 1
1 1076 . 14 1 1 A 86 86 SER N N 164 113.922 114.107 -0.185 1
1 1077 . 14 1 1 A 87 87 TYR H H 165 7.321 7.166 0.155 1
1 1078 . 14 1 1 A 87 87 TYR HA H 165 5.037 5.041 -0.004 1
1 1085 . 14 1 1 A 87 87 TYR C C 165 175.143 175.465 -0.322 1
1 1086 . 14 1 1 A 87 87 TYR CA C 165 54.570 57.660 -3.090 1
1 1087 . 14 1 1 A 87 87 TYR CB C 165 36.575 40.088 -3.513 1
1 1092 . 14 1 1 A 87 87 TYR N N 165 123.163 118.915 4.248 1
1 1093 . 14 1 1 A 88 88 ARG H H 166 7.263 8.883 -1.620 1
1 1094 . 14 1 1 A 88 88 ARG HA H 166 4.264 4.857 -0.593 1
1 1102 . 14 1 1 A 88 88 ARG C C 166 177.455 176.222 1.233 1
1 1103 . 14 1 1 A 88 88 ARG CA C 166 58.086 54.463 3.623 1
1 1104 . 14 1 1 A 88 88 ARG CB C 166 30.702 33.557 -2.855 1
1 1107 . 14 1 1 A 88 88 ARG N N 166 119.334 122.696 -3.362 1
1 1108 . 14 1 1 A 89 89 SER H H 167 10.206 8.892 1.314 1
1 1109 . 14 1 1 A 89 89 SER HA H 167 4.265 4.059 0.206 1
1 1112 . 14 1 1 A 89 89 SER C C 167 174.371 173.410 0.961 1
1 1113 . 14 1 1 A 89 89 SER CA C 167 60.818 59.389 1.429 1
1 1114 . 14 1 1 A 89 89 SER CB C 167 62.576 62.014 0.562 1
1 1115 . 14 1 1 A 89 89 SER N N 167 121.486 117.044 4.442 1
1 1116 . 14 1 1 A 90 90 MET H H 168 8.409 7.797 0.612 1
1 1117 . 14 1 1 A 90 90 MET HA H 168 4.531 5.110 -0.579 1
1 1125 . 14 1 1 A 90 90 MET C C 168 177.396 175.770 1.626 1
1 1126 . 14 1 1 A 90 90 MET CA C 168 56.283 54.173 2.110 1
1 1127 . 14 1 1 A 90 90 MET CB C 168 35.048 35.514 -0.466 1
1 1130 . 14 1 1 A 90 90 MET N N 168 124.849 119.655 5.194 1
1 1131 . 14 1 1 A 91 91 THR H H 169 8.981 9.003 -0.022 1
1 1132 . 14 1 1 A 91 91 THR HA H 169 4.589 5.014 -0.425 1
1 1137 . 14 1 1 A 91 91 THR C C 169 173.532 174.624 -1.092 1
1 1138 . 14 1 1 A 91 91 THR CA C 169 61.052 59.245 1.807 1
1 1139 . 14 1 1 A 91 91 THR CB C 169 68.249 69.506 -1.257 1
1 1141 . 14 1 1 A 91 91 THR N N 169 122.910 113.337 9.573 1
1 1142 . 14 1 1 A 92 92 PRO HA H 170 4.151 4.236 -0.085 1
1 1147 . 14 1 1 A 92 92 PRO C C 170 177.481 178.050 -0.569 1
1 1148 . 14 1 1 A 92 92 PRO CA C 170 66.599 65.821 0.778 1
1 1149 . 14 1 1 A 92 92 PRO CB C 170 31.740 31.502 0.238 1
1 1151 . 14 1 1 A 93 93 ALA H H 171 7.833 8.419 -0.586 1
1 1152 . 14 1 1 A 93 93 ALA HA H 171 4.135 3.971 0.164 1
1 1156 . 14 1 1 A 93 93 ALA C C 171 180.982 180.237 0.745 1
1 1157 . 14 1 1 A 93 93 ALA CA C 171 54.982 55.403 -0.421 1
1 1158 . 14 1 1 A 93 93 ALA CB C 171 18.373 18.471 -0.098 1
1 1159 . 14 1 1 A 93 93 ALA N N 171 115.945 118.140 -2.195 1
1 1160 . 14 1 1 A 94 94 GLN H H 172 7.868 7.962 -0.094 1
1 1161 . 14 1 1 A 94 94 GLN HA H 172 3.911 4.024 -0.113 1
1 1168 . 14 1 1 A 94 94 GLN C C 172 178.279 178.457 -0.178 1
1 1169 . 14 1 1 A 94 94 GLN CA C 172 58.547 58.553 -0.006 1
1 1170 . 14 1 1 A 94 94 GLN CB C 172 28.318 28.632 -0.314 1
1 1172 . 14 1 1 A 94 94 GLN N N 172 118.910 117.753 1.157 1
1 1174 . 14 1 1 A 95 95 ALA H H 173 8.459 7.831 0.628 1
1 1175 . 14 1 1 A 95 95 ALA HA H 173 4.066 3.950 0.116 1
1 1179 . 14 1 1 A 95 95 ALA C C 173 179.362 179.797 -0.435 1
1 1180 . 14 1 1 A 95 95 ALA CA C 173 55.413 55.302 0.111 1
1 1181 . 14 1 1 A 95 95 ALA CB C 173 17.730 18.535 -0.805 1
1 1182 . 14 1 1 A 95 95 ALA N N 173 123.672 122.426 1.246 1
1 1183 . 14 1 1 A 96 96 ASP H H 174 8.541 8.407 0.134 1
1 1184 . 14 1 1 A 96 96 ASP HA H 174 4.317 4.372 -0.055 1
1 1187 . 14 1 1 A 96 96 ASP C C 174 178.340 178.479 -0.139 1
1 1188 . 14 1 1 A 96 96 ASP CA C 174 57.230 57.470 -0.240 1
1 1189 . 14 1 1 A 96 96 ASP CB C 174 40.024 40.419 -0.395 1
1 1190 . 14 1 1 A 96 96 ASP N N 174 119.397 119.658 -0.261 1
1 1191 . 14 1 1 A 97 97 LEU H H 175 7.798 7.926 -0.128 1
1 1192 . 14 1 1 A 97 97 LEU HA H 175 3.968 4.141 -0.173 1
1 1202 . 14 1 1 A 97 97 LEU C C 175 179.822 178.490 1.332 1
1 1203 . 14 1 1 A 97 97 LEU CA C 175 58.737 57.327 1.410 1
1 1204 . 14 1 1 A 97 97 LEU CB C 175 41.661 41.938 -0.277 1
1 1208 . 14 1 1 A 97 97 LEU N N 175 120.724 120.325 0.399 1
1 1209 . 14 1 1 A 98 98 GLU H H 176 8.172 8.288 -0.116 1
1 1210 . 14 1 1 A 98 98 GLU HA H 176 3.885 3.711 0.174 1
1 1215 . 14 1 1 A 98 98 GLU C C 176 180.447 178.944 1.503 1
1 1216 . 14 1 1 A 98 98 GLU CA C 176 58.870 59.519 -0.649 1
1 1217 . 14 1 1 A 98 98 GLU CB C 176 27.413 28.560 -1.147 1
1 1219 . 14 1 1 A 98 98 GLU N N 176 119.724 118.907 0.817 1
1 1220 . 14 1 1 A 99 99 PHE H H 177 8.542 7.652 0.890 1
1 1221 . 14 1 1 A 99 99 PHE HA H 177 3.819 4.059 -0.240 1
1 1229 . 14 1 1 A 99 99 PHE C C 177 176.805 177.035 -0.230 1
1 1230 . 14 1 1 A 99 99 PHE CA C 177 62.277 61.292 0.985 1
1 1231 . 14 1 1 A 99 99 PHE CB C 177 38.948 39.057 -0.109 1
1 1237 . 14 1 1 A 99 99 PHE N N 177 123.837 121.262 2.575 1
1 1238 . 14 1 1 A 100 100 LEU H H 178 8.532 8.418 0.114 1
1 1239 . 14 1 1 A 100 100 LEU HA H 178 4.028 3.956 0.072 1
1 1249 . 14 1 1 A 100 100 LEU C C 178 179.884 179.373 0.511 1
1 1250 . 14 1 1 A 100 100 LEU CA C 178 58.046 58.027 0.019 1
1 1251 . 14 1 1 A 100 100 LEU CB C 178 41.419 41.349 0.070 1
1 1255 . 14 1 1 A 100 100 LEU N N 178 119.496 119.098 0.398 1
1 1256 . 14 1 1 A 101 101 GLU H H 179 8.769 8.529 0.240 1
1 1257 . 14 1 1 A 101 101 GLU HA H 179 4.043 3.983 0.060 1
1 1262 . 14 1 1 A 101 101 GLU C C 179 179.881 179.420 0.461 1
1 1263 . 14 1 1 A 101 101 GLU CA C 179 59.465 59.698 -0.233 1
1 1264 . 14 1 1 A 101 101 GLU CB C 179 29.478 29.010 0.468 1
1 1266 . 14 1 1 A 101 101 GLU N N 179 120.825 118.155 2.670 1
1 1267 . 14 1 1 A 102 102 ASN H H 180 7.865 7.716 0.149 1
1 1268 . 14 1 1 A 102 102 ASN HA H 180 4.329 4.372 -0.043 1
1 1273 . 14 1 1 A 102 102 ASN C C 180 176.692 177.525 -0.833 1
1 1274 . 14 1 1 A 102 102 ASN CA C 180 57.537 55.736 1.801 1
1 1275 . 14 1 1 A 102 102 ASN CB C 180 40.085 38.318 1.767 1
1 1276 . 14 1 1 A 102 102 ASN N N 180 116.591 118.589 -1.998 1
1 1278 . 14 1 1 A 103 103 ALA H H 181 8.744 8.172 0.572 1
1 1279 . 14 1 1 A 103 103 ALA HA H 181 4.130 3.899 0.231 1
1 1283 . 14 1 1 A 103 103 ALA C C 181 179.546 179.398 0.148 1
1 1284 . 14 1 1 A 103 103 ALA CA C 181 55.148 54.890 0.258 1
1 1285 . 14 1 1 A 103 103 ALA CB C 181 18.154 18.311 -0.157 1
1 1286 . 14 1 1 A 103 103 ALA N N 181 122.431 122.299 0.132 1
1 1287 . 14 1 1 A 104 104 LYS H H 182 8.493 7.853 0.640 1
1 1288 . 14 1 1 A 104 104 LYS HA H 182 3.786 3.860 -0.074 1
1 1297 . 14 1 1 A 104 104 LYS C C 182 180.012 179.176 0.836 1
1 1298 . 14 1 1 A 104 104 LYS CA C 182 58.547 59.296 -0.749 1
1 1299 . 14 1 1 A 104 104 LYS CB C 182 31.194 31.936 -0.742 1
1 1303 . 14 1 1 A 104 104 LYS N N 182 119.195 117.970 1.225 1
1 1304 . 14 1 1 A 105 105 LYS H H 183 7.661 7.538 0.123 1
1 1305 . 14 1 1 A 105 105 LYS HA H 183 4.111 4.128 -0.017 1
1 1314 . 14 1 1 A 105 105 LYS C C 183 178.010 177.914 0.096 1
1 1315 . 14 1 1 A 105 105 LYS CA C 183 58.823 58.522 0.301 1
1 1316 . 14 1 1 A 105 105 LYS CB C 183 32.287 32.594 -0.307 1
1 1320 . 14 1 1 A 105 105 LYS N N 183 120.301 118.790 1.511 1
1 1321 . 14 1 1 A 106 106 LEU H H 184 7.403 7.285 0.118 1
1 1322 . 14 1 1 A 106 106 LEU HA H 184 4.385 4.388 -0.003 1
1 1331 . 14 1 1 A 106 106 LEU C C 184 176.332 175.916 0.416 1
1 1332 . 14 1 1 A 106 106 LEU CA C 184 54.857 54.396 0.461 1
1 1333 . 14 1 1 A 106 106 LEU CB C 184 42.054 42.560 -0.506 1
1 1336 . 14 1 1 A 106 106 LEU N N 184 118.606 119.228 -0.622 1
1 1337 . 14 1 1 A 107 107 SER H H 185 8.123 7.740 0.383 1
1 1338 . 14 1 1 A 107 107 SER HA H 185 4.202 4.050 0.152 1
1 1341 . 14 1 1 A 107 107 SER C C 185 174.826 174.223 0.603 1
1 1342 . 14 1 1 A 107 107 SER CA C 185 58.894 59.187 -0.293 1
1 1343 . 14 1 1 A 107 107 SER CB C 185 61.684 61.315 0.369 1
1 1344 . 14 1 1 A 107 107 SER N N 185 113.023 113.500 -0.477 1
1 1345 . 14 1 1 A 108 108 MET H H 186 8.212 8.185 0.027 1
1 1346 . 14 1 1 A 108 108 MET HA H 186 4.188 4.774 -0.586 1
1 1354 . 14 1 1 A 108 108 MET C C 186 174.495 176.191 -1.696 1
1 1355 . 14 1 1 A 108 108 MET CA C 186 57.328 56.275 1.053 1
1 1356 . 14 1 1 A 108 108 MET CB C 186 33.414 34.917 -1.503 1
1 1359 . 14 1 1 A 108 108 MET N N 186 117.267 117.399 -0.132 1
1 4 . 15 1 1 A 2 2 SER HA H 80 4.477 4.978 -0.501 1
1 7 . 15 1 1 A 2 2 SER CA C 80 58.344 57.825 0.519 1
1 8 . 15 1 1 A 2 2 SER CB C 80 64.002 66.332 -2.330 1
1 9 . 15 1 1 A 3 3 HIS HA H 81 4.614 4.734 -0.120 1
1 13 . 15 1 1 A 3 3 HIS C C 81 174.681 173.751 0.930 1
1 14 . 15 1 1 A 3 3 HIS CA C 81 56.231 56.969 -0.738 1
1 15 . 15 1 1 A 3 3 HIS CB C 81 29.839 32.357 -2.518 1
1 17 . 15 1 1 A 4 4 MET H H 82 8.285 8.006 0.279 1
1 18 . 15 1 1 A 4 4 MET HA H 82 4.416 4.783 -0.367 1
1 26 . 15 1 1 A 4 4 MET C C 82 175.286 173.647 1.639 1
1 27 . 15 1 1 A 4 4 MET CA C 82 55.165 54.050 1.115 1
1 28 . 15 1 1 A 4 4 MET CB C 82 32.988 38.169 -5.181 1
1 31 . 15 1 1 A 4 4 MET N N 82 121.559 116.111 5.448 1
1 32 . 15 1 1 A 5 5 ASP H H 83 8.362 8.792 -0.430 1
1 33 . 15 1 1 A 5 5 ASP HA H 83 4.844 5.076 -0.232 1
1 36 . 15 1 1 A 5 5 ASP C C 83 175.239 175.335 -0.096 1
1 37 . 15 1 1 A 5 5 ASP CA C 83 52.238 50.948 1.290 1
1 38 . 15 1 1 A 5 5 ASP CB C 83 41.471 42.214 -0.743 1
1 39 . 15 1 1 A 5 5 ASP N N 83 124.060 121.567 2.493 1
1 40 . 15 1 1 A 6 6 PRO HA H 84 4.327 4.404 -0.077 1
1 47 . 15 1 1 A 6 6 PRO C C 84 177.388 177.295 0.093 1
1 48 . 15 1 1 A 6 6 PRO CA C 84 64.084 64.064 0.020 1
1 49 . 15 1 1 A 6 6 PRO CB C 84 32.022 31.893 0.129 1
1 52 . 15 1 1 A 7 7 ALA H H 85 8.406 7.836 0.570 1
1 53 . 15 1 1 A 7 7 ALA HA H 85 4.239 4.020 0.219 1
1 57 . 15 1 1 A 7 7 ALA C C 85 178.462 177.738 0.724 1
1 58 . 15 1 1 A 7 7 ALA CA C 85 53.223 55.310 -2.087 1
1 59 . 15 1 1 A 7 7 ALA CB C 85 18.801 18.924 -0.123 1
1 60 . 15 1 1 A 7 7 ALA N N 85 121.868 120.213 1.655 1
1 61 . 15 1 1 A 8 8 GLN H H 86 7.985 7.367 0.618 1
1 62 . 15 1 1 A 8 8 GLN HA H 86 4.264 4.037 0.227 1
1 69 . 15 1 1 A 8 8 GLN C C 86 176.124 176.235 -0.111 1
1 70 . 15 1 1 A 8 8 GLN CA C 86 56.101 57.058 -0.957 1
1 71 . 15 1 1 A 8 8 GLN CB C 86 29.456 26.061 3.395 1
1 73 . 15 1 1 A 8 8 GLN N N 86 117.727 113.195 4.532 1
1 75 . 15 1 1 A 9 9 LEU H H 87 8.102 7.828 0.274 1
1 76 . 15 1 1 A 9 9 LEU HA H 87 4.394 3.963 0.431 1
1 86 . 15 1 1 A 9 9 LEU C C 87 177.923 178.788 -0.865 1
1 87 . 15 1 1 A 9 9 LEU CA C 87 55.454 57.760 -2.306 1
1 88 . 15 1 1 A 9 9 LEU CB C 87 42.188 41.190 0.998 1
1 92 . 15 1 1 A 9 9 LEU N N 87 122.045 119.137 2.908 1
1 93 . 15 1 1 A 10 10 THR H H 88 7.902 8.036 -0.134 1
1 94 . 15 1 1 A 10 10 THR HA H 88 4.258 3.859 0.399 1
1 99 . 15 1 1 A 10 10 THR C C 88 175.742 176.386 -0.644 1
1 100 . 15 1 1 A 10 10 THR CA C 88 62.974 67.059 -4.085 1
1 101 . 15 1 1 A 10 10 THR CB C 88 69.759 68.708 1.051 1
1 103 . 15 1 1 A 10 10 THR N N 88 113.859 114.927 -1.068 1
1 104 . 15 1 1 A 11 11 GLU H H 89 8.594 8.595 -0.001 1
1 105 . 15 1 1 A 11 11 GLU HA H 89 4.213 3.980 0.233 1
1 110 . 15 1 1 A 11 11 GLU C C 89 177.577 178.752 -1.175 1
1 111 . 15 1 1 A 11 11 GLU CA C 89 58.496 60.210 -1.714 1
1 112 . 15 1 1 A 11 11 GLU CB C 89 29.751 29.056 0.695 1
1 114 . 15 1 1 A 11 11 GLU N N 89 122.144 119.395 2.749 1
1 115 . 15 1 1 A 12 12 ASP H H 90 8.244 8.086 0.158 1
1 116 . 15 1 1 A 12 12 ASP HA H 90 4.419 4.428 -0.009 1
1 119 . 15 1 1 A 12 12 ASP C C 90 178.623 178.612 0.011 1
1 120 . 15 1 1 A 12 12 ASP CA C 90 56.589 57.487 -0.898 1
1 121 . 15 1 1 A 12 12 ASP CB C 90 40.332 41.304 -0.972 1
1 122 . 15 1 1 A 12 12 ASP N N 90 119.922 119.029 0.893 1
1 123 . 15 1 1 A 13 13 ILE H H 91 8.092 8.064 0.028 1
1 124 . 15 1 1 A 13 13 ILE HA H 91 3.987 3.852 0.135 1
1 134 . 15 1 1 A 13 13 ILE C C 91 177.124 178.420 -1.296 1
1 135 . 15 1 1 A 13 13 ILE CA C 91 63.562 65.096 -1.534 1
1 136 . 15 1 1 A 13 13 ILE CB C 91 37.830 37.734 0.096 1
1 140 . 15 1 1 A 13 13 ILE N N 91 122.909 119.490 3.419 1
1 141 . 15 1 1 A 14 14 THR H H 92 8.045 8.873 -0.828 1
1 142 . 15 1 1 A 14 14 THR HA H 92 4.040 3.851 0.189 1
1 147 . 15 1 1 A 14 14 THR C C 92 177.358 176.893 0.465 1
1 148 . 15 1 1 A 14 14 THR CA C 92 66.244 65.668 0.576 1
1 149 . 15 1 1 A 14 14 THR CB C 92 68.629 68.931 -0.302 1
1 151 . 15 1 1 A 14 14 THR N N 92 116.529 114.462 2.067 1
1 152 . 15 1 1 A 15 15 ARG H H 93 7.984 8.086 -0.102 1
1 153 . 15 1 1 A 15 15 ARG HA H 93 3.974 3.934 0.040 1
1 161 . 15 1 1 A 15 15 ARG C C 93 177.719 177.964 -0.245 1
1 162 . 15 1 1 A 15 15 ARG CA C 93 60.312 59.567 0.745 1
1 163 . 15 1 1 A 15 15 ARG CB C 93 30.591 29.644 0.947 1
1 166 . 15 1 1 A 15 15 ARG N N 93 121.521 121.290 0.231 1
1 167 . 15 1 1 A 16 16 TYR H H 94 7.948 7.938 0.010 1
1 168 . 15 1 1 A 16 16 TYR HA H 94 4.045 4.268 -0.223 1
1 175 . 15 1 1 A 16 16 TYR C C 94 177.690 177.192 0.498 1
1 176 . 15 1 1 A 16 16 TYR CA C 94 61.568 61.587 -0.019 1
1 177 . 15 1 1 A 16 16 TYR CB C 94 37.543 38.952 -1.409 1
1 182 . 15 1 1 A 16 16 TYR N N 94 120.911 120.681 0.230 1
1 183 . 15 1 1 A 17 17 TYR H H 95 8.143 8.151 -0.008 1
1 184 . 15 1 1 A 17 17 TYR HA H 95 4.049 3.907 0.142 1
1 191 . 15 1 1 A 17 17 TYR C C 95 179.000 178.049 0.951 1
1 192 . 15 1 1 A 17 17 TYR CA C 95 61.454 61.805 -0.351 1
1 193 . 15 1 1 A 17 17 TYR CB C 95 37.483 38.024 -0.541 1
1 198 . 15 1 1 A 17 17 TYR N N 95 117.066 118.062 -0.996 1
1 199 . 15 1 1 A 18 18 LEU H H 96 7.976 8.884 -0.908 1
1 200 . 15 1 1 A 18 18 LEU HA H 96 4.203 4.052 0.151 1
1 210 . 15 1 1 A 18 18 LEU C C 96 178.998 178.554 0.444 1
1 211 . 15 1 1 A 18 18 LEU CA C 96 58.097 58.312 -0.215 1
1 212 . 15 1 1 A 18 18 LEU CB C 96 41.814 41.762 0.052 1
1 216 . 15 1 1 A 18 18 LEU N N 96 123.012 120.821 2.191 1
1 217 . 15 1 1 A 19 19 CYS H H 97 8.163 8.582 -0.419 1
1 218 . 15 1 1 A 19 19 CYS HA H 97 3.783 4.143 -0.360 1
1 221 . 15 1 1 A 19 19 CYS C C 97 176.663 176.959 -0.296 1
1 222 . 15 1 1 A 19 19 CYS CA C 97 64.973 62.489 2.484 1
1 223 . 15 1 1 A 19 19 CYS CB C 97 25.966 27.137 -1.171 1
1 224 . 15 1 1 A 19 19 CYS N N 97 117.202 118.067 -0.865 1
1 225 . 15 1 1 A 20 20 LEU H H 98 7.863 8.033 -0.170 1
1 226 . 15 1 1 A 20 20 LEU HA H 98 3.681 3.856 -0.175 1
1 236 . 15 1 1 A 20 20 LEU C C 98 179.392 179.541 -0.149 1
1 237 . 15 1 1 A 20 20 LEU CA C 98 58.319 57.876 0.443 1
1 238 . 15 1 1 A 20 20 LEU CB C 98 41.944 40.698 1.246 1
1 242 . 15 1 1 A 20 20 LEU N N 98 118.833 121.021 -2.188 1
1 243 . 15 1 1 A 21 21 GLN H H 99 7.658 7.912 -0.254 1
1 244 . 15 1 1 A 21 21 GLN HA H 99 3.909 4.004 -0.095 1
1 251 . 15 1 1 A 21 21 GLN C C 99 178.326 178.962 -0.636 1
1 252 . 15 1 1 A 21 21 GLN CA C 99 58.704 58.445 0.259 1
1 253 . 15 1 1 A 21 21 GLN CB C 99 28.630 28.526 0.104 1
1 255 . 15 1 1 A 21 21 GLN N N 99 118.958 119.991 -1.033 1
1 257 . 15 1 1 A 22 22 LEU H H 100 8.214 8.220 -0.006 1
1 258 . 15 1 1 A 22 22 LEU HA H 100 4.150 4.032 0.118 1
1 268 . 15 1 1 A 22 22 LEU C C 100 179.438 179.018 0.420 1
1 269 . 15 1 1 A 22 22 LEU CA C 100 58.320 57.762 0.558 1
1 270 . 15 1 1 A 22 22 LEU CB C 100 42.816 41.430 1.386 1
1 274 . 15 1 1 A 22 22 LEU N N 100 119.829 119.976 -0.147 1
1 275 . 15 1 1 A 23 23 ARG H H 101 8.722 8.236 0.486 1
1 276 . 15 1 1 A 23 23 ARG HA H 101 3.946 4.047 -0.101 1
1 284 . 15 1 1 A 23 23 ARG C C 101 179.448 179.071 0.377 1
1 285 . 15 1 1 A 23 23 ARG CA C 101 60.910 59.572 1.338 1
1 286 . 15 1 1 A 23 23 ARG CB C 101 29.853 29.777 0.076 1
1 288 . 15 1 1 A 23 23 ARG N N 101 117.690 120.326 -2.636 1
1 289 . 15 1 1 A 24 24 GLN H H 102 7.804 8.052 -0.248 1
1 290 . 15 1 1 A 24 24 GLN HA H 102 4.015 4.064 -0.049 1
1 297 . 15 1 1 A 24 24 GLN C C 102 178.951 177.793 1.158 1
1 298 . 15 1 1 A 24 24 GLN CA C 102 58.785 58.961 -0.176 1
1 299 . 15 1 1 A 24 24 GLN CB C 102 28.263 27.894 0.369 1
1 301 . 15 1 1 A 24 24 GLN N N 102 117.686 117.988 -0.302 1
1 303 . 15 1 1 A 25 25 ASP H H 103 8.393 7.765 0.628 1
1 304 . 15 1 1 A 25 25 ASP HA H 103 4.414 4.478 -0.064 1
1 307 . 15 1 1 A 25 25 ASP C C 103 179.476 178.794 0.682 1
1 308 . 15 1 1 A 25 25 ASP CA C 103 57.753 57.381 0.372 1
1 309 . 15 1 1 A 25 25 ASP CB C 103 40.432 41.220 -0.788 1
1 310 . 15 1 1 A 25 25 ASP N N 103 122.118 119.910 2.208 1
1 311 . 15 1 1 A 26 26 ILE H H 104 8.737 7.746 0.991 1
1 312 . 15 1 1 A 26 26 ILE HA H 104 3.761 3.641 0.120 1
1 320 . 15 1 1 A 26 26 ILE C C 104 180.320 177.956 2.364 1
1 321 . 15 1 1 A 26 26 ILE CA C 104 65.902 65.305 0.597 1
1 322 . 15 1 1 A 26 26 ILE CB C 104 38.826 37.955 0.871 1
1 325 . 15 1 1 A 26 26 ILE N N 104 122.668 120.391 2.277 1
1 326 . 15 1 1 A 27 27 VAL H H 105 7.923 7.787 0.136 1
1 327 . 15 1 1 A 27 27 VAL HA H 105 3.077 3.886 -0.809 1
1 335 . 15 1 1 A 27 27 VAL C C 105 176.073 177.583 -1.510 1
1 336 . 15 1 1 A 27 27 VAL CA C 105 67.080 64.746 2.334 1
1 337 . 15 1 1 A 27 27 VAL CB C 105 31.450 31.551 -0.101 1
1 340 . 15 1 1 A 27 27 VAL N N 105 121.194 116.678 4.516 1
1 341 . 15 1 1 A 28 28 ALA H H 106 7.892 7.153 0.739 1
1 342 . 15 1 1 A 28 28 ALA HA H 106 4.286 4.330 -0.044 1
1 346 . 15 1 1 A 28 28 ALA C C 106 178.366 177.709 0.657 1
1 347 . 15 1 1 A 28 28 ALA CA C 106 52.572 52.013 0.559 1
1 348 . 15 1 1 A 28 28 ALA CB C 106 19.616 19.431 0.185 1
1 349 . 15 1 1 A 28 28 ALA N N 106 117.103 121.818 -4.715 1
1 350 . 15 1 1 A 29 29 GLY H H 107 7.670 8.041 -0.371 1
1 351 . 15 1 1 A 29 29 GLY HA2 H 107 4.181 3.939 0.242 1
1 352 . 15 1 1 A 29 29 GLY HA3 H 107 3.924 3.939 -0.015 1
1 353 . 15 1 1 A 29 29 GLY C C 107 174.596 175.151 -0.555 1
1 354 . 15 1 1 A 29 29 GLY CA C 107 45.157 46.519 -1.362 1
1 355 . 15 1 1 A 29 29 GLY N N 107 105.038 106.911 -1.873 1
1 356 . 15 1 1 A 30 30 ARG H H 108 7.972 8.402 -0.430 1
1 357 . 15 1 1 A 30 30 ARG HA H 108 4.185 4.300 -0.115 1
1 365 . 15 1 1 A 30 30 ARG C C 108 175.874 175.305 0.569 1
1 366 . 15 1 1 A 30 30 ARG CA C 108 57.987 56.443 1.544 1
1 367 . 15 1 1 A 30 30 ARG CB C 108 31.218 30.469 0.749 1
1 370 . 15 1 1 A 30 30 ARG N N 108 118.333 118.672 -0.339 1
1 371 . 15 1 1 A 31 31 LEU H H 109 6.696 7.497 -0.801 1
1 372 . 15 1 1 A 31 31 LEU HA H 109 4.939 4.780 0.159 1
1 382 . 15 1 1 A 31 31 LEU C C 109 173.324 173.785 -0.461 1
1 383 . 15 1 1 A 31 31 LEU CA C 109 50.930 51.564 -0.634 1
1 384 . 15 1 1 A 31 31 LEU CB C 109 43.480 45.666 -2.186 1
1 388 . 15 1 1 A 31 31 LEU N N 109 118.681 119.108 -0.427 1
1 389 . 15 1 1 A 32 32 PRO HA H 110 4.411 4.806 -0.395 1
1 396 . 15 1 1 A 32 32 PRO C C 110 176.694 176.120 0.574 1
1 397 . 15 1 1 A 32 32 PRO CA C 110 63.123 62.782 0.341 1
1 398 . 15 1 1 A 32 32 PRO CB C 110 32.022 31.742 0.280 1
1 401 . 15 1 1 A 33 33 CYS H H 111 8.273 8.587 -0.314 1
1 402 . 15 1 1 A 33 33 CYS HA H 111 4.834 5.068 -0.234 1
1 405 . 15 1 1 A 33 33 CYS C C 111 173.523 172.837 0.686 1
1 406 . 15 1 1 A 33 33 CYS CA C 111 57.890 58.029 -0.139 1
1 407 . 15 1 1 A 33 33 CYS CB C 111 32.282 33.273 -0.991 1
1 408 . 15 1 1 A 33 33 CYS N N 111 119.113 123.123 -4.010 1
1 409 . 15 1 1 A 34 34 SER H H 112 8.738 8.773 -0.035 1
1 410 . 15 1 1 A 34 34 SER HA H 112 4.527 4.939 -0.412 1
1 413 . 15 1 1 A 34 34 SER C C 112 173.709 175.228 -1.519 1
1 414 . 15 1 1 A 34 34 SER CA C 112 57.256 56.325 0.931 1
1 415 . 15 1 1 A 34 34 SER CB C 112 65.433 65.659 -0.226 1
1 416 . 15 1 1 A 34 34 SER N N 112 118.212 117.218 0.994 1
1 417 . 15 1 1 A 35 35 PHE H H 113 9.027 9.330 -0.303 1
1 418 . 15 1 1 A 35 35 PHE HA H 113 4.047 4.084 -0.037 1
1 426 . 15 1 1 A 35 35 PHE C C 113 176.433 177.253 -0.820 1
1 427 . 15 1 1 A 35 35 PHE CA C 113 62.623 62.659 -0.036 1
1 428 . 15 1 1 A 35 35 PHE CB C 113 39.128 39.671 -0.543 1
1 434 . 15 1 1 A 35 35 PHE N N 113 122.209 125.638 -3.429 1
1 435 . 15 1 1 A 36 36 ALA H H 114 8.631 8.345 0.286 1
1 436 . 15 1 1 A 36 36 ALA HA H 114 3.926 4.015 -0.089 1
1 440 . 15 1 1 A 36 36 ALA C C 114 181.064 179.788 1.276 1
1 441 . 15 1 1 A 36 36 ALA CA C 114 55.300 55.122 0.178 1
1 442 . 15 1 1 A 36 36 ALA CB C 114 18.423 18.358 0.065 1
1 443 . 15 1 1 A 36 36 ALA N N 114 118.977 121.175 -2.198 1
1 444 . 15 1 1 A 37 37 THR H H 115 7.886 7.852 0.034 1
1 445 . 15 1 1 A 37 37 THR HA H 115 3.859 3.965 -0.106 1
1 450 . 15 1 1 A 37 37 THR C C 115 175.630 176.667 -1.037 1
1 451 . 15 1 1 A 37 37 THR CA C 115 66.294 66.657 -0.363 1
1 452 . 15 1 1 A 37 37 THR CB C 115 68.298 68.162 0.136 1
1 454 . 15 1 1 A 37 37 THR N N 115 117.602 114.724 2.878 1
1 455 . 15 1 1 A 38 38 LEU H H 116 8.740 8.074 0.666 1
1 456 . 15 1 1 A 38 38 LEU HA H 116 3.904 3.913 -0.009 1
1 466 . 15 1 1 A 38 38 LEU C C 116 180.666 179.184 1.482 1
1 467 . 15 1 1 A 38 38 LEU CA C 116 58.166 57.749 0.417 1
1 468 . 15 1 1 A 38 38 LEU CB C 116 43.034 41.207 1.827 1
1 472 . 15 1 1 A 38 38 LEU N N 116 122.945 121.364 1.581 1
1 473 . 15 1 1 A 39 39 ALA H H 117 8.151 8.034 0.117 1
1 474 . 15 1 1 A 39 39 ALA HA H 117 3.776 3.900 -0.124 1
1 478 . 15 1 1 A 39 39 ALA C C 117 178.461 179.632 -1.171 1
1 479 . 15 1 1 A 39 39 ALA CA C 117 53.839 54.847 -1.008 1
1 480 . 15 1 1 A 39 39 ALA CB C 117 17.406 18.203 -0.797 1
1 481 . 15 1 1 A 39 39 ALA N N 117 120.752 121.634 -0.882 1
1 482 . 15 1 1 A 40 40 LEU H H 118 7.801 8.047 -0.246 1
1 483 . 15 1 1 A 40 40 LEU HA H 118 3.892 4.006 -0.114 1
1 492 . 15 1 1 A 40 40 LEU C C 118 180.428 178.428 2.000 1
1 493 . 15 1 1 A 40 40 LEU CA C 118 57.978 57.861 0.117 1
1 494 . 15 1 1 A 40 40 LEU CB C 118 42.699 41.906 0.793 1
1 497 . 15 1 1 A 40 40 LEU N N 118 119.699 120.299 -0.600 1
1 498 . 15 1 1 A 41 41 LEU H H 119 9.153 8.840 0.313 1
1 499 . 15 1 1 A 41 41 LEU HA H 119 4.181 4.397 -0.216 1
1 509 . 15 1 1 A 41 41 LEU C C 119 179.132 179.321 -0.189 1
1 510 . 15 1 1 A 41 41 LEU CA C 119 58.696 58.307 0.389 1
1 511 . 15 1 1 A 41 41 LEU CB C 119 39.102 41.884 -2.782 1
1 515 . 15 1 1 A 41 41 LEU N N 119 118.687 119.122 -0.435 1
1 516 . 15 1 1 A 42 42 GLY H H 120 8.253 8.167 0.086 1
1 517 . 15 1 1 A 42 42 GLY HA2 H 120 4.016 3.734 0.282 1
1 518 . 15 1 1 A 42 42 GLY HA3 H 120 3.610 3.753 -0.143 1
1 519 . 15 1 1 A 42 42 GLY C C 120 175.046 176.486 -1.440 1
1 520 . 15 1 1 A 42 42 GLY CA C 120 48.060 47.417 0.643 1
1 521 . 15 1 1 A 42 42 GLY N N 120 106.562 106.923 -0.361 1
1 522 . 15 1 1 A 43 43 SER H H 121 8.456 8.339 0.117 1
1 523 . 15 1 1 A 43 43 SER HA H 121 3.928 4.089 -0.161 1
1 526 . 15 1 1 A 43 43 SER C C 121 175.318 176.262 -0.944 1
1 527 . 15 1 1 A 43 43 SER CA C 121 62.651 62.915 -0.264 1
1 528 . 15 1 1 A 43 43 SER CB C 121 62.722 63.339 -0.617 1
1 529 . 15 1 1 A 43 43 SER N N 121 117.787 118.694 -0.907 1
1 530 . 15 1 1 A 44 44 TYR H H 122 7.311 7.581 -0.270 1
1 531 . 15 1 1 A 44 44 TYR HA H 122 4.635 4.297 0.338 1
1 538 . 15 1 1 A 44 44 TYR C C 122 178.731 178.241 0.490 1
1 539 . 15 1 1 A 44 44 TYR CA C 122 61.704 60.636 1.068 1
1 540 . 15 1 1 A 44 44 TYR CB C 122 38.809 37.963 0.846 1
1 545 . 15 1 1 A 44 44 TYR N N 122 123.923 120.361 3.562 1
1 546 . 15 1 1 A 45 45 THR H H 123 8.748 8.076 0.672 1
1 547 . 15 1 1 A 45 45 THR HA H 123 3.747 3.940 -0.193 1
1 552 . 15 1 1 A 45 45 THR C C 123 175.781 176.702 -0.921 1
1 553 . 15 1 1 A 45 45 THR CA C 123 67.015 67.105 -0.090 1
1 554 . 15 1 1 A 45 45 THR CB C 123 67.670 67.627 0.043 1
1 556 . 15 1 1 A 45 45 THR N N 123 121.374 115.234 6.140 1
1 557 . 15 1 1 A 46 46 ILE H H 124 8.131 8.012 0.119 1
1 558 . 15 1 1 A 46 46 ILE HA H 124 3.161 3.104 0.057 1
1 568 . 15 1 1 A 46 46 ILE C C 124 177.130 177.678 -0.548 1
1 569 . 15 1 1 A 46 46 ILE CA C 124 62.478 65.287 -2.809 1
1 570 . 15 1 1 A 46 46 ILE CB C 124 35.268 37.398 -2.130 1
1 574 . 15 1 1 A 46 46 ILE N N 124 119.593 121.512 -1.919 1
1 575 . 15 1 1 A 47 47 GLN H H 125 7.871 7.913 -0.042 1
1 576 . 15 1 1 A 47 47 GLN HA H 125 4.110 3.669 0.441 1
1 583 . 15 1 1 A 47 47 GLN C C 125 178.150 177.679 0.471 1
1 584 . 15 1 1 A 47 47 GLN CA C 125 58.333 58.320 0.013 1
1 585 . 15 1 1 A 47 47 GLN CB C 125 27.448 28.220 -0.772 1
1 587 . 15 1 1 A 47 47 GLN N N 125 121.155 120.258 0.897 1
1 589 . 15 1 1 A 48 48 SER H H 126 8.194 7.927 0.267 1
1 590 . 15 1 1 A 48 48 SER HA H 126 4.055 4.195 -0.140 1
1 593 . 15 1 1 A 48 48 SER C C 126 176.209 176.413 -0.204 1
1 594 . 15 1 1 A 48 48 SER CA C 126 60.823 61.049 -0.226 1
1 595 . 15 1 1 A 48 48 SER CB C 126 63.592 63.239 0.353 1
1 596 . 15 1 1 A 48 48 SER N N 126 111.964 115.474 -3.510 1
1 597 . 15 1 1 A 49 49 GLU H H 127 8.009 8.124 -0.115 1
1 598 . 15 1 1 A 49 49 GLU HA H 127 4.296 4.115 0.181 1
1 603 . 15 1 1 A 49 49 GLU C C 127 178.319 177.832 0.487 1
1 604 . 15 1 1 A 49 49 GLU CA C 127 58.376 58.665 -0.289 1
1 605 . 15 1 1 A 49 49 GLU CB C 127 30.928 29.948 0.980 1
1 607 . 15 1 1 A 49 49 GLU N N 127 116.052 121.396 -5.344 1
1 608 . 15 1 1 A 50 50 LEU H H 128 8.916 8.446 0.470 1
1 609 . 15 1 1 A 50 50 LEU HA H 128 4.549 4.490 0.059 1
1 619 . 15 1 1 A 50 50 LEU C C 128 178.447 177.293 1.154 1
1 620 . 15 1 1 A 50 50 LEU CA C 128 55.159 54.449 0.710 1
1 621 . 15 1 1 A 50 50 LEU CB C 128 43.500 42.808 0.692 1
1 625 . 15 1 1 A 50 50 LEU N N 128 117.044 116.537 0.507 1
1 626 . 15 1 1 A 51 51 GLY H H 129 7.710 7.945 -0.235 1
1 627 . 15 1 1 A 51 51 GLY HA2 H 129 4.261 4.150 0.111 1
1 628 . 15 1 1 A 51 51 GLY HA3 H 129 3.994 4.156 -0.162 1
1 629 . 15 1 1 A 51 51 GLY C C 129 172.406 173.373 -0.967 1
1 630 . 15 1 1 A 51 51 GLY CA C 129 44.162 44.857 -0.695 1
1 631 . 15 1 1 A 51 51 GLY N N 129 109.110 107.127 1.983 1
1 632 . 15 1 1 A 52 52 ASP H H 130 8.131 8.612 -0.481 1
1 633 . 15 1 1 A 52 52 ASP HA H 130 4.577 4.736 -0.159 1
1 636 . 15 1 1 A 52 52 ASP C C 130 176.862 176.038 0.824 1
1 637 . 15 1 1 A 52 52 ASP CA C 130 54.581 55.149 -0.568 1
1 638 . 15 1 1 A 52 52 ASP CB C 130 41.028 41.555 -0.527 1
1 639 . 15 1 1 A 52 52 ASP N N 130 118.844 121.731 -2.887 1
1 640 . 15 1 1 A 53 53 TYR H H 131 8.732 8.765 -0.033 1
1 641 . 15 1 1 A 53 53 TYR HA H 131 4.410 4.520 -0.110 1
1 648 . 15 1 1 A 53 53 TYR C C 131 174.929 174.356 0.573 1
1 649 . 15 1 1 A 53 53 TYR CA C 131 58.452 59.315 -0.863 1
1 650 . 15 1 1 A 53 53 TYR CB C 131 37.536 39.397 -1.861 1
1 655 . 15 1 1 A 53 53 TYR N N 131 121.518 123.087 -1.569 1
1 656 . 15 1 1 A 54 54 ASP H H 132 9.981 7.777 2.204 1
1 657 . 15 1 1 A 54 54 ASP HA H 132 4.652 5.225 -0.573 1
1 660 . 15 1 1 A 54 54 ASP CA C 132 49.843 51.349 -1.506 1
1 661 . 15 1 1 A 54 54 ASP CB C 132 42.737 40.940 1.797 1
1 662 . 15 1 1 A 54 54 ASP N N 132 132.995 124.419 8.576 1
1 663 . 15 1 1 A 55 55 PRO HA H 133 4.117 4.476 -0.359 1
1 670 . 15 1 1 A 55 55 PRO C C 133 178.353 178.657 -0.304 1
1 671 . 15 1 1 A 55 55 PRO CA C 133 64.216 64.843 -0.627 1
1 672 . 15 1 1 A 55 55 PRO CB C 133 32.133 32.202 -0.069 1
1 675 . 15 1 1 A 56 56 GLU H H 134 7.968 9.019 -1.051 1
1 676 . 15 1 1 A 56 56 GLU HA H 134 4.047 4.248 -0.201 1
1 681 . 15 1 1 A 56 56 GLU C C 134 177.001 178.147 -1.146 1
1 682 . 15 1 1 A 56 56 GLU CA C 134 57.984 58.916 -0.932 1
1 683 . 15 1 1 A 56 56 GLU CB C 134 29.667 29.106 0.561 1
1 685 . 15 1 1 A 56 56 GLU N N 134 116.491 116.126 0.365 1
1 686 . 15 1 1 A 57 57 LEU H H 135 7.137 7.811 -0.674 1
1 687 . 15 1 1 A 57 57 LEU HA H 135 4.186 4.083 0.103 1
1 697 . 15 1 1 A 57 57 LEU C C 135 177.695 177.031 0.664 1
1 698 . 15 1 1 A 57 57 LEU CA C 135 55.372 55.282 0.090 1
1 699 . 15 1 1 A 57 57 LEU CB C 135 43.889 42.087 1.802 1
1 703 . 15 1 1 A 57 57 LEU N N 135 118.254 118.253 0.001 1
1 704 . 15 1 1 A 58 58 HIS H H 136 8.121 7.864 0.257 1
1 705 . 15 1 1 A 58 58 HIS HA H 136 4.560 4.611 -0.051 1
1 709 . 15 1 1 A 58 58 HIS C C 136 176.135 174.084 2.051 1
1 710 . 15 1 1 A 58 58 HIS CA C 136 56.134 56.896 -0.762 1
1 711 . 15 1 1 A 58 58 HIS CB C 136 31.534 28.618 2.916 1
1 713 . 15 1 1 A 58 58 HIS N N 136 120.254 115.770 4.484 1
1 714 . 15 1 1 A 59 59 GLY H H 137 7.890 8.537 -0.647 1
1 715 . 15 1 1 A 59 59 GLY HA2 H 137 4.166 4.138 0.028 1
1 716 . 15 1 1 A 59 59 GLY HA3 H 137 3.990 4.263 -0.273 1
1 717 . 15 1 1 A 59 59 GLY C C 137 175.021 173.414 1.607 1
1 718 . 15 1 1 A 59 59 GLY CA C 137 45.431 45.692 -0.261 1
1 719 . 15 1 1 A 59 59 GLY N N 137 108.183 109.448 -1.265 1
1 720 . 15 1 1 A 60 60 VAL H H 138 8.519 8.581 -0.062 1
1 721 . 15 1 1 A 60 60 VAL HA H 138 4.503 3.976 0.527 1
1 729 . 15 1 1 A 60 60 VAL C C 138 176.419 175.924 0.495 1
1 730 . 15 1 1 A 60 60 VAL CA C 138 62.905 61.437 1.468 1
1 731 . 15 1 1 A 60 60 VAL CB C 138 32.421 33.862 -1.441 1
1 734 . 15 1 1 A 60 60 VAL N N 138 116.738 120.215 -3.477 1
1 735 . 15 1 1 A 61 61 ASP H H 139 8.525 8.004 0.521 1
1 736 . 15 1 1 A 61 61 ASP HA H 139 4.959 4.508 0.451 1
1 739 . 15 1 1 A 61 61 ASP C C 139 177.816 176.458 1.358 1
1 740 . 15 1 1 A 61 61 ASP CA C 139 54.278 53.193 1.085 1
1 741 . 15 1 1 A 61 61 ASP CB C 139 40.771 39.958 0.813 1
1 742 . 15 1 1 A 61 61 ASP N N 139 120.408 120.284 0.124 1
1 743 . 15 1 1 A 62 62 TYR H H 140 7.553 7.653 -0.100 1
1 744 . 15 1 1 A 62 62 TYR HA H 140 4.611 4.554 0.057 1
1 751 . 15 1 1 A 62 62 TYR C C 140 176.791 177.458 -0.667 1
1 752 . 15 1 1 A 62 62 TYR CA C 140 59.811 58.532 1.279 1
1 753 . 15 1 1 A 62 62 TYR CB C 140 37.453 37.814 -0.361 1
1 758 . 15 1 1 A 62 62 TYR N N 140 118.187 119.293 -1.106 1
1 759 . 15 1 1 A 63 63 VAL H H 141 7.645 8.119 -0.474 1
1 760 . 15 1 1 A 63 63 VAL HA H 141 3.861 3.951 -0.090 1
1 768 . 15 1 1 A 63 63 VAL C C 141 176.409 178.406 -1.997 1
1 769 . 15 1 1 A 63 63 VAL CA C 141 63.504 66.658 -3.154 1
1 770 . 15 1 1 A 63 63 VAL CB C 141 31.598 31.483 0.115 1
1 773 . 15 1 1 A 63 63 VAL N N 141 118.945 122.111 -3.166 1
1 774 . 15 1 1 A 64 64 SER H H 142 7.611 8.077 -0.466 1
1 775 . 15 1 1 A 64 64 SER HA H 142 4.234 4.295 -0.061 1
1 778 . 15 1 1 A 64 64 SER C C 142 175.035 175.962 -0.927 1
1 779 . 15 1 1 A 64 64 SER CA C 142 60.628 61.042 -0.414 1
1 780 . 15 1 1 A 64 64 SER CB C 142 63.183 63.034 0.149 1
1 781 . 15 1 1 A 64 64 SER N N 142 113.661 116.102 -2.441 1
1 782 . 15 1 1 A 65 65 ASP H H 143 7.440 7.893 -0.453 1
1 783 . 15 1 1 A 65 65 ASP HA H 143 4.568 4.414 0.154 1
1 786 . 15 1 1 A 65 65 ASP C C 143 175.376 176.030 -0.654 1
1 787 . 15 1 1 A 65 65 ASP CA C 143 55.077 56.019 -0.942 1
1 788 . 15 1 1 A 65 65 ASP CB C 143 40.913 41.372 -0.459 1
1 789 . 15 1 1 A 65 65 ASP N N 143 118.332 120.296 -1.964 1
1 790 . 15 1 1 A 66 66 PHE H H 144 8.115 7.652 0.463 1
1 791 . 15 1 1 A 66 66 PHE HA H 144 4.369 4.910 -0.541 1
1 798 . 15 1 1 A 66 66 PHE C C 144 174.524 175.228 -0.704 1
1 799 . 15 1 1 A 66 66 PHE CA C 144 57.705 57.581 0.124 1
1 800 . 15 1 1 A 66 66 PHE CB C 144 41.033 40.615 0.418 1
1 805 . 15 1 1 A 66 66 PHE N N 144 120.277 116.553 3.724 1
1 806 . 15 1 1 A 67 67 LYS H H 145 8.688 8.924 -0.236 1
1 807 . 15 1 1 A 67 67 LYS HA H 145 4.671 4.476 0.195 1
1 816 . 15 1 1 A 67 67 LYS C C 145 175.437 176.378 -0.941 1
1 817 . 15 1 1 A 67 67 LYS CA C 145 55.418 56.114 -0.696 1
1 818 . 15 1 1 A 67 67 LYS CB C 145 31.784 31.824 -0.040 1
1 822 . 15 1 1 A 67 67 LYS N N 145 122.931 124.935 -2.004 1
1 823 . 15 1 1 A 68 68 LEU H H 146 9.642 8.599 1.043 1
1 824 . 15 1 1 A 68 68 LEU HA H 146 4.484 4.513 -0.029 1
1 834 . 15 1 1 A 68 68 LEU C C 146 175.512 176.852 -1.340 1
1 835 . 15 1 1 A 68 68 LEU CA C 146 54.375 55.665 -1.290 1
1 836 . 15 1 1 A 68 68 LEU CB C 146 44.114 42.945 1.169 1
1 840 . 15 1 1 A 68 68 LEU N N 146 123.156 126.353 -3.197 1
1 841 . 15 1 1 A 69 69 ALA H H 147 7.586 7.530 0.056 1
1 842 . 15 1 1 A 69 69 ALA HA H 147 4.597 4.719 -0.122 1
1 846 . 15 1 1 A 69 69 ALA C C 147 173.720 176.750 -3.030 1
1 847 . 15 1 1 A 69 69 ALA CA C 147 49.637 50.019 -0.382 1
1 848 . 15 1 1 A 69 69 ALA CB C 147 22.691 21.661 1.030 1
1 849 . 15 1 1 A 69 69 ALA N N 147 117.486 117.568 -0.082 1
1 850 . 15 1 1 A 70 70 PRO HA H 148 4.578 4.396 0.182 1
1 857 . 15 1 1 A 70 70 PRO C C 148 176.996 177.237 -0.241 1
1 858 . 15 1 1 A 70 70 PRO CA C 148 64.435 65.286 -0.851 1
1 859 . 15 1 1 A 70 70 PRO CB C 148 31.448 31.893 -0.445 1
1 862 . 15 1 1 A 71 71 ASN H H 149 8.221 8.013 0.208 1
1 863 . 15 1 1 A 71 71 ASN HA H 149 4.783 4.894 -0.111 1
1 868 . 15 1 1 A 71 71 ASN C C 149 173.865 173.838 0.027 1
1 869 . 15 1 1 A 71 71 ASN CA C 149 52.308 51.624 0.684 1
1 870 . 15 1 1 A 71 71 ASN CB C 149 38.065 37.534 0.531 1
1 871 . 15 1 1 A 71 71 ASN N N 149 116.940 114.366 2.574 1
1 873 . 15 1 1 A 72 72 GLN H H 150 8.467 8.598 -0.131 1
1 874 . 15 1 1 A 72 72 GLN HA H 150 3.962 4.423 -0.461 1
1 881 . 15 1 1 A 72 72 GLN C C 150 174.832 175.759 -0.927 1
1 882 . 15 1 1 A 72 72 GLN CA C 150 57.793 56.780 1.013 1
1 883 . 15 1 1 A 72 72 GLN CB C 150 29.029 29.447 -0.418 1
1 885 . 15 1 1 A 72 72 GLN N N 150 123.793 125.839 -2.046 1
1 887 . 15 1 1 A 73 73 THR H H 151 7.040 8.426 -1.386 1
1 888 . 15 1 1 A 73 73 THR HA H 151 4.668 4.974 -0.306 1
1 893 . 15 1 1 A 73 73 THR C C 151 175.175 175.905 -0.730 1
1 894 . 15 1 1 A 73 73 THR CA C 151 59.504 59.156 0.348 1
1 895 . 15 1 1 A 73 73 THR CB C 151 72.544 71.884 0.660 1
1 897 . 15 1 1 A 73 73 THR N N 151 115.239 117.557 -2.318 1
1 898 . 15 1 1 A 74 74 LYS H H 152 8.949 8.858 0.091 1
1 899 . 15 1 1 A 74 74 LYS HA H 152 4.109 4.047 0.062 1
1 908 . 15 1 1 A 74 74 LYS C C 152 178.758 178.754 0.004 1
1 909 . 15 1 1 A 74 74 LYS CA C 152 58.521 59.295 -0.774 1
1 910 . 15 1 1 A 74 74 LYS CB C 152 31.372 31.961 -0.589 1
1 914 . 15 1 1 A 74 74 LYS N N 152 122.065 121.043 1.022 1
1 915 . 15 1 1 A 75 75 GLU H H 153 8.762 8.384 0.378 1
1 916 . 15 1 1 A 75 75 GLU HA H 153 4.098 4.144 -0.046 1
1 921 . 15 1 1 A 75 75 GLU C C 153 179.947 179.111 0.836 1
1 922 . 15 1 1 A 75 75 GLU CA C 153 60.405 59.293 1.112 1
1 923 . 15 1 1 A 75 75 GLU CB C 153 28.999 29.339 -0.340 1
1 925 . 15 1 1 A 75 75 GLU N N 153 118.335 119.641 -1.306 1
1 926 . 15 1 1 A 76 76 LEU H H 154 7.726 8.518 -0.792 1
1 927 . 15 1 1 A 76 76 LEU HA H 154 4.061 4.061 0.000 1
1 937 . 15 1 1 A 76 76 LEU C C 154 178.292 178.459 -0.167 1
1 938 . 15 1 1 A 76 76 LEU CA C 154 58.188 57.864 0.324 1
1 939 . 15 1 1 A 76 76 LEU CB C 154 41.061 41.461 -0.400 1
1 943 . 15 1 1 A 76 76 LEU N N 154 121.434 122.913 -1.479 1
1 944 . 15 1 1 A 77 77 GLU H H 155 8.044 8.785 -0.741 1
1 945 . 15 1 1 A 77 77 GLU HA H 155 3.394 3.890 -0.496 1
1 950 . 15 1 1 A 77 77 GLU C C 155 178.363 179.145 -0.782 1
1 951 . 15 1 1 A 77 77 GLU CA C 155 60.409 60.233 0.176 1
1 952 . 15 1 1 A 77 77 GLU CB C 155 28.697 28.840 -0.143 1
1 954 . 15 1 1 A 77 77 GLU N N 155 118.172 119.232 -1.060 1
1 955 . 15 1 1 A 78 78 GLU H H 156 8.657 8.809 -0.152 1
1 956 . 15 1 1 A 78 78 GLU HA H 156 3.945 4.021 -0.076 1
1 961 . 15 1 1 A 78 78 GLU C C 156 179.197 179.029 0.168 1
1 962 . 15 1 1 A 78 78 GLU CA C 156 59.869 59.307 0.562 1
1 963 . 15 1 1 A 78 78 GLU CB C 156 29.466 29.188 0.278 1
1 965 . 15 1 1 A 78 78 GLU N N 156 117.944 118.609 -0.665 1
1 966 . 15 1 1 A 79 79 LYS H H 157 7.564 7.747 -0.183 1
1 967 . 15 1 1 A 79 79 LYS HA H 157 4.245 4.197 0.048 1
1 976 . 15 1 1 A 79 79 LYS C C 157 178.328 178.863 -0.535 1
1 977 . 15 1 1 A 79 79 LYS CA C 157 57.557 58.850 -1.293 1
1 978 . 15 1 1 A 79 79 LYS CB C 157 30.969 32.331 -1.362 1
1 982 . 15 1 1 A 79 79 LYS N N 157 121.118 121.074 0.044 1
1 983 . 15 1 1 A 80 80 VAL H H 158 8.412 7.773 0.639 1
1 984 . 15 1 1 A 80 80 VAL HA H 158 3.314 3.921 -0.607 1
1 992 . 15 1 1 A 80 80 VAL C C 158 177.623 178.131 -0.508 1
1 993 . 15 1 1 A 80 80 VAL CA C 158 67.250 66.342 0.908 1
1 994 . 15 1 1 A 80 80 VAL CB C 158 30.867 31.830 -0.963 1
1 997 . 15 1 1 A 80 80 VAL N N 158 119.270 119.874 -0.604 1
1 998 . 15 1 1 A 81 81 MET H H 159 8.212 8.043 0.169 1
1 999 . 15 1 1 A 81 81 MET HA H 159 4.039 4.343 -0.304 1
1 1007 . 15 1 1 A 81 81 MET C C 159 177.305 178.405 -1.100 1
1 1008 . 15 1 1 A 81 81 MET CA C 159 59.998 59.208 0.790 1
1 1009 . 15 1 1 A 81 81 MET CB C 159 33.605 33.188 0.417 1
1 1012 . 15 1 1 A 81 81 MET N N 159 117.924 117.655 0.269 1
1 1013 . 15 1 1 A 82 82 GLU H H 160 7.780 8.555 -0.775 1
1 1014 . 15 1 1 A 82 82 GLU HA H 160 3.768 4.012 -0.244 1
1 1019 . 15 1 1 A 82 82 GLU C C 160 179.468 179.133 0.335 1
1 1020 . 15 1 1 A 82 82 GLU CA C 160 59.555 59.244 0.311 1
1 1021 . 15 1 1 A 82 82 GLU CB C 160 29.831 29.511 0.320 1
1 1023 . 15 1 1 A 82 82 GLU N N 160 119.282 120.508 -1.226 1
1 1024 . 15 1 1 A 83 83 LEU H H 161 7.748 8.035 -0.287 1
1 1025 . 15 1 1 A 83 83 LEU HA H 161 3.756 3.972 -0.216 1
1 1035 . 15 1 1 A 83 83 LEU C C 161 179.113 178.834 0.279 1
1 1036 . 15 1 1 A 83 83 LEU CA C 161 57.246 57.505 -0.259 1
1 1037 . 15 1 1 A 83 83 LEU CB C 161 41.824 41.237 0.587 1
1 1041 . 15 1 1 A 83 83 LEU N N 161 118.542 120.234 -1.692 1
1 1042 . 15 1 1 A 84 84 HIS H H 162 8.842 8.051 0.791 1
1 1043 . 15 1 1 A 84 84 HIS HA H 162 3.986 4.166 -0.180 1
1 1047 . 15 1 1 A 84 84 HIS C C 162 178.286 177.402 0.884 1
1 1048 . 15 1 1 A 84 84 HIS CA C 162 58.407 60.300 -1.893 1
1 1049 . 15 1 1 A 84 84 HIS CB C 162 32.405 30.117 2.288 1
1 1051 . 15 1 1 A 84 84 HIS N N 162 120.325 118.395 1.930 1
1 1052 . 15 1 1 A 85 85 LYS H H 163 7.951 8.074 -0.123 1
1 1053 . 15 1 1 A 85 85 LYS HA H 163 3.383 3.903 -0.520 1
1 1062 . 15 1 1 A 85 85 LYS C C 163 177.303 179.534 -2.231 1
1 1063 . 15 1 1 A 85 85 LYS CA C 163 59.730 59.154 0.576 1
1 1064 . 15 1 1 A 85 85 LYS CB C 163 32.489 31.534 0.955 1
1 1068 . 15 1 1 A 85 85 LYS N N 163 116.598 118.306 -1.708 1
1 1069 . 15 1 1 A 86 86 SER H H 164 7.334 7.658 -0.324 1
1 1070 . 15 1 1 A 86 86 SER HA H 164 4.442 4.253 0.189 1
1 1073 . 15 1 1 A 86 86 SER C C 164 175.296 174.336 0.960 1
1 1074 . 15 1 1 A 86 86 SER CA C 164 59.708 60.830 -1.122 1
1 1075 . 15 1 1 A 86 86 SER CB C 164 64.669 62.734 1.935 1
1 1076 . 15 1 1 A 86 86 SER N N 164 113.922 112.997 0.925 1
1 1077 . 15 1 1 A 87 87 TYR H H 165 7.321 7.300 0.021 1
1 1078 . 15 1 1 A 87 87 TYR HA H 165 5.037 5.095 -0.058 1
1 1085 . 15 1 1 A 87 87 TYR C C 165 175.143 175.421 -0.278 1
1 1086 . 15 1 1 A 87 87 TYR CA C 165 54.570 57.666 -3.096 1
1 1087 . 15 1 1 A 87 87 TYR CB C 165 36.575 40.304 -3.729 1
1 1092 . 15 1 1 A 87 87 TYR N N 165 123.163 121.669 1.494 1
1 1093 . 15 1 1 A 88 88 ARG H H 166 7.263 8.753 -1.490 1
1 1094 . 15 1 1 A 88 88 ARG HA H 166 4.264 4.940 -0.676 1
1 1102 . 15 1 1 A 88 88 ARG C C 166 177.455 175.290 2.165 1
1 1103 . 15 1 1 A 88 88 ARG CA C 166 58.086 54.858 3.228 1
1 1104 . 15 1 1 A 88 88 ARG CB C 166 30.702 33.162 -2.460 1
1 1107 . 15 1 1 A 88 88 ARG N N 166 119.334 120.890 -1.556 1
1 1108 . 15 1 1 A 89 89 SER H H 167 10.206 8.866 1.340 1
1 1109 . 15 1 1 A 89 89 SER HA H 167 4.265 4.045 0.220 1
1 1112 . 15 1 1 A 89 89 SER C C 167 174.371 173.521 0.850 1
1 1113 . 15 1 1 A 89 89 SER CA C 167 60.818 59.344 1.474 1
1 1114 . 15 1 1 A 89 89 SER CB C 167 62.576 61.968 0.608 1
1 1115 . 15 1 1 A 89 89 SER N N 167 121.486 114.597 6.889 1
1 1116 . 15 1 1 A 90 90 MET H H 168 8.409 7.793 0.616 1
1 1117 . 15 1 1 A 90 90 MET HA H 168 4.531 5.088 -0.557 1
1 1125 . 15 1 1 A 90 90 MET C C 168 177.396 175.649 1.747 1
1 1126 . 15 1 1 A 90 90 MET CA C 168 56.283 54.132 2.151 1
1 1127 . 15 1 1 A 90 90 MET CB C 168 35.048 35.511 -0.463 1
1 1130 . 15 1 1 A 90 90 MET N N 168 124.849 118.985 5.864 1
1 1131 . 15 1 1 A 91 91 THR H H 169 8.981 8.922 0.059 1
1 1132 . 15 1 1 A 91 91 THR HA H 169 4.589 5.016 -0.427 1
1 1137 . 15 1 1 A 91 91 THR C C 169 173.532 174.659 -1.127 1
1 1138 . 15 1 1 A 91 91 THR CA C 169 61.052 59.275 1.777 1
1 1139 . 15 1 1 A 91 91 THR CB C 169 68.249 69.625 -1.376 1
1 1141 . 15 1 1 A 91 91 THR N N 169 122.910 113.526 9.384 1
1 1142 . 15 1 1 A 92 92 PRO HA H 170 4.151 4.188 -0.037 1
1 1147 . 15 1 1 A 92 92 PRO C C 170 177.481 178.450 -0.969 1
1 1148 . 15 1 1 A 92 92 PRO CA C 170 66.599 65.788 0.811 1
1 1149 . 15 1 1 A 92 92 PRO CB C 170 31.740 31.620 0.120 1
1 1151 . 15 1 1 A 93 93 ALA H H 171 7.833 8.427 -0.594 1
1 1152 . 15 1 1 A 93 93 ALA HA H 171 4.135 3.999 0.136 1
1 1156 . 15 1 1 A 93 93 ALA C C 171 180.982 180.598 0.384 1
1 1157 . 15 1 1 A 93 93 ALA CA C 171 54.982 55.390 -0.408 1
1 1158 . 15 1 1 A 93 93 ALA CB C 171 18.373 18.597 -0.224 1
1 1159 . 15 1 1 A 93 93 ALA N N 171 115.945 118.484 -2.539 1
1 1160 . 15 1 1 A 94 94 GLN H H 172 7.868 8.217 -0.349 1
1 1161 . 15 1 1 A 94 94 GLN HA H 172 3.911 3.977 -0.066 1
1 1168 . 15 1 1 A 94 94 GLN C C 172 178.279 178.200 0.079 1
1 1169 . 15 1 1 A 94 94 GLN CA C 172 58.547 58.639 -0.092 1
1 1170 . 15 1 1 A 94 94 GLN CB C 172 28.318 28.320 -0.002 1
1 1172 . 15 1 1 A 94 94 GLN N N 172 118.910 117.972 0.938 1
1 1174 . 15 1 1 A 95 95 ALA H H 173 8.459 7.552 0.907 1
1 1175 . 15 1 1 A 95 95 ALA HA H 173 4.066 3.832 0.234 1
1 1179 . 15 1 1 A 95 95 ALA C C 173 179.362 179.787 -0.425 1
1 1180 . 15 1 1 A 95 95 ALA CA C 173 55.413 55.338 0.075 1
1 1181 . 15 1 1 A 95 95 ALA CB C 173 17.730 18.248 -0.518 1
1 1182 . 15 1 1 A 95 95 ALA N N 173 123.672 122.743 0.929 1
1 1183 . 15 1 1 A 96 96 ASP H H 174 8.541 8.421 0.120 1
1 1184 . 15 1 1 A 96 96 ASP HA H 174 4.317 4.386 -0.069 1
1 1187 . 15 1 1 A 96 96 ASP C C 174 178.340 178.444 -0.104 1
1 1188 . 15 1 1 A 96 96 ASP CA C 174 57.230 57.456 -0.226 1
1 1189 . 15 1 1 A 96 96 ASP CB C 174 40.024 40.570 -0.546 1
1 1190 . 15 1 1 A 96 96 ASP N N 174 119.397 119.716 -0.319 1
1 1191 . 15 1 1 A 97 97 LEU H H 175 7.798 7.963 -0.165 1
1 1192 . 15 1 1 A 97 97 LEU HA H 175 3.968 4.113 -0.145 1
1 1202 . 15 1 1 A 97 97 LEU C C 175 179.822 178.576 1.246 1
1 1203 . 15 1 1 A 97 97 LEU CA C 175 58.737 57.182 1.555 1
1 1204 . 15 1 1 A 97 97 LEU CB C 175 41.661 41.560 0.101 1
1 1208 . 15 1 1 A 97 97 LEU N N 175 120.724 120.497 0.227 1
1 1209 . 15 1 1 A 98 98 GLU H H 176 8.172 8.165 0.007 1
1 1210 . 15 1 1 A 98 98 GLU HA H 176 3.885 3.698 0.187 1
1 1215 . 15 1 1 A 98 98 GLU C C 176 180.447 178.992 1.455 1
1 1216 . 15 1 1 A 98 98 GLU CA C 176 58.870 59.464 -0.594 1
1 1217 . 15 1 1 A 98 98 GLU CB C 176 27.413 28.426 -1.013 1
1 1219 . 15 1 1 A 98 98 GLU N N 176 119.724 119.226 0.498 1
1 1220 . 15 1 1 A 99 99 PHE H H 177 8.542 7.685 0.857 1
1 1221 . 15 1 1 A 99 99 PHE HA H 177 3.819 4.187 -0.368 1
1 1229 . 15 1 1 A 99 99 PHE C C 177 176.805 177.054 -0.249 1
1 1230 . 15 1 1 A 99 99 PHE CA C 177 62.277 61.320 0.957 1
1 1231 . 15 1 1 A 99 99 PHE CB C 177 38.948 39.243 -0.295 1
1 1237 . 15 1 1 A 99 99 PHE N N 177 123.837 121.317 2.520 1
1 1238 . 15 1 1 A 100 100 LEU H H 178 8.532 8.454 0.078 1
1 1239 . 15 1 1 A 100 100 LEU HA H 178 4.028 4.126 -0.098 1
1 1249 . 15 1 1 A 100 100 LEU C C 178 179.884 179.470 0.414 1
1 1250 . 15 1 1 A 100 100 LEU CA C 178 58.046 58.206 -0.160 1
1 1251 . 15 1 1 A 100 100 LEU CB C 178 41.419 41.510 -0.091 1
1 1255 . 15 1 1 A 100 100 LEU N N 178 119.496 119.162 0.334 1
1 1256 . 15 1 1 A 101 101 GLU H H 179 8.769 8.526 0.243 1
1 1257 . 15 1 1 A 101 101 GLU HA H 179 4.043 3.949 0.094 1
1 1262 . 15 1 1 A 101 101 GLU C C 179 179.881 178.974 0.907 1
1 1263 . 15 1 1 A 101 101 GLU CA C 179 59.465 59.254 0.211 1
1 1264 . 15 1 1 A 101 101 GLU CB C 179 29.478 29.215 0.263 1
1 1266 . 15 1 1 A 101 101 GLU N N 179 120.825 120.816 0.009 1
1 1267 . 15 1 1 A 102 102 ASN H H 180 7.865 7.762 0.103 1
1 1268 . 15 1 1 A 102 102 ASN HA H 180 4.329 4.383 -0.054 1
1 1273 . 15 1 1 A 102 102 ASN C C 180 176.692 177.497 -0.805 1
1 1274 . 15 1 1 A 102 102 ASN CA C 180 57.537 55.728 1.809 1
1 1275 . 15 1 1 A 102 102 ASN CB C 180 40.085 38.209 1.876 1
1 1276 . 15 1 1 A 102 102 ASN N N 180 116.591 117.777 -1.186 1
1 1278 . 15 1 1 A 103 103 ALA H H 181 8.744 8.140 0.604 1
1 1279 . 15 1 1 A 103 103 ALA HA H 181 4.130 3.866 0.264 1
1 1283 . 15 1 1 A 103 103 ALA C C 181 179.546 179.636 -0.090 1
1 1284 . 15 1 1 A 103 103 ALA CA C 181 55.148 54.878 0.270 1
1 1285 . 15 1 1 A 103 103 ALA CB C 181 18.154 18.316 -0.162 1
1 1286 . 15 1 1 A 103 103 ALA N N 181 122.431 122.272 0.159 1
1 1287 . 15 1 1 A 104 104 LYS H H 182 8.493 8.065 0.428 1
1 1288 . 15 1 1 A 104 104 LYS HA H 182 3.786 4.291 -0.505 1
1 1297 . 15 1 1 A 104 104 LYS C C 182 180.012 179.159 0.853 1
1 1298 . 15 1 1 A 104 104 LYS CA C 182 58.547 59.561 -1.014 1
1 1299 . 15 1 1 A 104 104 LYS CB C 182 31.194 32.195 -1.001 1
1 1303 . 15 1 1 A 104 104 LYS N N 182 119.195 118.134 1.061 1
1 1304 . 15 1 1 A 105 105 LYS H H 183 7.661 7.614 0.047 1
1 1305 . 15 1 1 A 105 105 LYS HA H 183 4.111 4.139 -0.028 1
1 1314 . 15 1 1 A 105 105 LYS C C 183 178.010 177.957 0.053 1
1 1315 . 15 1 1 A 105 105 LYS CA C 183 58.823 58.657 0.166 1
1 1316 . 15 1 1 A 105 105 LYS CB C 183 32.287 32.347 -0.060 1
1 1320 . 15 1 1 A 105 105 LYS N N 183 120.301 119.878 0.423 1
1 1321 . 15 1 1 A 106 106 LEU H H 184 7.403 7.378 0.025 1
1 1322 . 15 1 1 A 106 106 LEU HA H 184 4.385 4.396 -0.011 1
1 1331 . 15 1 1 A 106 106 LEU C C 184 176.332 176.013 0.319 1
1 1332 . 15 1 1 A 106 106 LEU CA C 184 54.857 54.383 0.474 1
1 1333 . 15 1 1 A 106 106 LEU CB C 184 42.054 41.826 0.228 1
1 1336 . 15 1 1 A 106 106 LEU N N 184 118.606 119.529 -0.923 1
1 1337 . 15 1 1 A 107 107 SER H H 185 8.123 8.164 -0.041 1
1 1338 . 15 1 1 A 107 107 SER HA H 185 4.202 4.298 -0.096 1
1 1341 . 15 1 1 A 107 107 SER C C 185 174.826 174.100 0.726 1
1 1342 . 15 1 1 A 107 107 SER CA C 185 58.894 59.316 -0.422 1
1 1343 . 15 1 1 A 107 107 SER CB C 185 61.684 61.558 0.126 1
1 1344 . 15 1 1 A 107 107 SER N N 185 113.023 113.261 -0.238 1
1 1345 . 15 1 1 A 108 108 MET H H 186 8.212 7.820 0.392 1
1 1346 . 15 1 1 A 108 108 MET HA H 186 4.188 4.050 0.138 1
1 1354 . 15 1 1 A 108 108 MET C C 186 174.495 177.971 -3.476 1
1 1355 . 15 1 1 A 108 108 MET CA C 186 57.328 58.244 -0.916 1
1 1356 . 15 1 1 A 108 108 MET CB C 186 33.414 31.899 1.515 1
1 1359 . 15 1 1 A 108 108 MET N N 186 117.267 118.162 -0.895 1
1 4 . 16 1 1 A 2 2 SER HA H 80 4.477 3.986 0.491 1
1 7 . 16 1 1 A 2 2 SER CA C 80 58.344 58.872 -0.528 1
1 8 . 16 1 1 A 2 2 SER CB C 80 64.002 61.755 2.247 1
1 9 . 16 1 1 A 3 3 HIS HA H 81 4.614 4.894 -0.280 1
1 13 . 16 1 1 A 3 3 HIS C C 81 174.681 174.550 0.131 1
1 14 . 16 1 1 A 3 3 HIS CA C 81 56.231 55.332 0.899 1
1 15 . 16 1 1 A 3 3 HIS CB C 81 29.839 30.543 -0.704 1
1 17 . 16 1 1 A 4 4 MET H H 82 8.285 8.031 0.254 1
1 18 . 16 1 1 A 4 4 MET HA H 82 4.416 4.240 0.176 1
1 26 . 16 1 1 A 4 4 MET C C 82 175.286 175.176 0.110 1
1 27 . 16 1 1 A 4 4 MET CA C 82 55.165 56.400 -1.235 1
1 28 . 16 1 1 A 4 4 MET CB C 82 32.988 31.644 1.344 1
1 31 . 16 1 1 A 4 4 MET N N 82 121.559 114.751 6.808 1
1 32 . 16 1 1 A 5 5 ASP H H 83 8.362 8.847 -0.485 1
1 33 . 16 1 1 A 5 5 ASP HA H 83 4.844 4.716 0.128 1
1 36 . 16 1 1 A 5 5 ASP C C 83 175.239 176.002 -0.763 1
1 37 . 16 1 1 A 5 5 ASP CA C 83 52.238 52.092 0.146 1
1 38 . 16 1 1 A 5 5 ASP CB C 83 41.471 40.879 0.592 1
1 39 . 16 1 1 A 5 5 ASP N N 83 124.060 124.446 -0.386 1
1 40 . 16 1 1 A 6 6 PRO HA H 84 4.327 4.578 -0.251 1
1 47 . 16 1 1 A 6 6 PRO C C 84 177.388 177.119 0.269 1
1 48 . 16 1 1 A 6 6 PRO CA C 84 64.084 64.061 0.023 1
1 49 . 16 1 1 A 6 6 PRO CB C 84 32.022 31.764 0.258 1
1 52 . 16 1 1 A 7 7 ALA H H 85 8.406 8.355 0.051 1
1 53 . 16 1 1 A 7 7 ALA HA H 85 4.239 4.401 -0.162 1
1 57 . 16 1 1 A 7 7 ALA C C 85 178.462 177.621 0.841 1
1 58 . 16 1 1 A 7 7 ALA CA C 85 53.223 52.543 0.680 1
1 59 . 16 1 1 A 7 7 ALA CB C 85 18.801 19.224 -0.423 1
1 60 . 16 1 1 A 7 7 ALA N N 85 121.868 121.219 0.649 1
1 61 . 16 1 1 A 8 8 GLN H H 86 7.985 7.634 0.351 1
1 62 . 16 1 1 A 8 8 GLN HA H 86 4.264 4.169 0.095 1
1 69 . 16 1 1 A 8 8 GLN C C 86 176.124 177.421 -1.297 1
1 70 . 16 1 1 A 8 8 GLN CA C 86 56.101 58.035 -1.934 1
1 71 . 16 1 1 A 8 8 GLN CB C 86 29.456 28.943 0.513 1
1 73 . 16 1 1 A 8 8 GLN N N 86 117.727 118.718 -0.991 1
1 75 . 16 1 1 A 9 9 LEU H H 87 8.102 7.859 0.243 1
1 76 . 16 1 1 A 9 9 LEU HA H 87 4.394 4.541 -0.147 1
1 86 . 16 1 1 A 9 9 LEU C C 87 177.923 177.810 0.113 1
1 87 . 16 1 1 A 9 9 LEU CA C 87 55.454 54.409 1.045 1
1 88 . 16 1 1 A 9 9 LEU CB C 87 42.188 41.903 0.285 1
1 92 . 16 1 1 A 9 9 LEU N N 87 122.045 113.547 8.498 1
1 93 . 16 1 1 A 10 10 THR H H 88 7.902 8.011 -0.109 1
1 94 . 16 1 1 A 10 10 THR HA H 88 4.258 3.965 0.293 1
1 99 . 16 1 1 A 10 10 THR C C 88 175.742 176.075 -0.333 1
1 100 . 16 1 1 A 10 10 THR CA C 88 62.974 65.829 -2.855 1
1 101 . 16 1 1 A 10 10 THR CB C 88 69.759 68.323 1.436 1
1 103 . 16 1 1 A 10 10 THR N N 88 113.859 114.953 -1.094 1
1 104 . 16 1 1 A 11 11 GLU H H 89 8.594 8.462 0.132 1
1 105 . 16 1 1 A 11 11 GLU HA H 89 4.213 4.116 0.097 1
1 110 . 16 1 1 A 11 11 GLU C C 89 177.577 178.418 -0.841 1
1 111 . 16 1 1 A 11 11 GLU CA C 89 58.496 59.144 -0.648 1
1 112 . 16 1 1 A 11 11 GLU CB C 89 29.751 29.420 0.331 1
1 114 . 16 1 1 A 11 11 GLU N N 89 122.144 120.704 1.440 1
1 115 . 16 1 1 A 12 12 ASP H H 90 8.244 8.029 0.215 1
1 116 . 16 1 1 A 12 12 ASP HA H 90 4.419 4.406 0.013 1
1 119 . 16 1 1 A 12 12 ASP C C 90 178.623 178.832 -0.209 1
1 120 . 16 1 1 A 12 12 ASP CA C 90 56.589 57.246 -0.657 1
1 121 . 16 1 1 A 12 12 ASP CB C 90 40.332 40.894 -0.562 1
1 122 . 16 1 1 A 12 12 ASP N N 90 119.922 120.188 -0.266 1
1 123 . 16 1 1 A 13 13 ILE H H 91 8.092 7.823 0.269 1
1 124 . 16 1 1 A 13 13 ILE HA H 91 3.987 3.520 0.467 1
1 134 . 16 1 1 A 13 13 ILE C C 91 177.124 178.330 -1.206 1
1 135 . 16 1 1 A 13 13 ILE CA C 91 63.562 65.222 -1.660 1
1 136 . 16 1 1 A 13 13 ILE CB C 91 37.830 37.496 0.334 1
1 140 . 16 1 1 A 13 13 ILE N N 91 122.909 119.799 3.110 1
1 141 . 16 1 1 A 14 14 THR H H 92 8.045 8.413 -0.368 1
1 142 . 16 1 1 A 14 14 THR HA H 92 4.040 4.087 -0.047 1
1 147 . 16 1 1 A 14 14 THR C C 92 177.358 177.129 0.229 1
1 148 . 16 1 1 A 14 14 THR CA C 92 66.244 65.506 0.738 1
1 149 . 16 1 1 A 14 14 THR CB C 92 68.629 69.001 -0.372 1
1 151 . 16 1 1 A 14 14 THR N N 92 116.529 114.641 1.888 1
1 152 . 16 1 1 A 15 15 ARG H H 93 7.984 8.645 -0.661 1
1 153 . 16 1 1 A 15 15 ARG HA H 93 3.974 3.910 0.064 1
1 161 . 16 1 1 A 15 15 ARG C C 93 177.719 178.124 -0.405 1
1 162 . 16 1 1 A 15 15 ARG CA C 93 60.312 59.767 0.545 1
1 163 . 16 1 1 A 15 15 ARG CB C 93 30.591 29.738 0.853 1
1 166 . 16 1 1 A 15 15 ARG N N 93 121.521 120.311 1.210 1
1 167 . 16 1 1 A 16 16 TYR H H 94 7.948 7.929 0.019 1
1 168 . 16 1 1 A 16 16 TYR HA H 94 4.045 4.227 -0.182 1
1 175 . 16 1 1 A 16 16 TYR C C 94 177.690 177.121 0.569 1
1 176 . 16 1 1 A 16 16 TYR CA C 94 61.568 61.234 0.334 1
1 177 . 16 1 1 A 16 16 TYR CB C 94 37.543 38.268 -0.725 1
1 182 . 16 1 1 A 16 16 TYR N N 94 120.911 120.364 0.547 1
1 183 . 16 1 1 A 17 17 TYR H H 95 8.143 7.793 0.350 1
1 184 . 16 1 1 A 17 17 TYR HA H 95 4.049 4.025 0.024 1
1 191 . 16 1 1 A 17 17 TYR C C 95 179.000 178.274 0.726 1
1 192 . 16 1 1 A 17 17 TYR CA C 95 61.454 61.208 0.246 1
1 193 . 16 1 1 A 17 17 TYR CB C 95 37.483 37.437 0.046 1
1 198 . 16 1 1 A 17 17 TYR N N 95 117.066 117.904 -0.838 1
1 199 . 16 1 1 A 18 18 LEU H H 96 7.976 8.417 -0.441 1
1 200 . 16 1 1 A 18 18 LEU HA H 96 4.203 4.019 0.184 1
1 210 . 16 1 1 A 18 18 LEU C C 96 178.998 178.330 0.668 1
1 211 . 16 1 1 A 18 18 LEU CA C 96 58.097 57.968 0.129 1
1 212 . 16 1 1 A 18 18 LEU CB C 96 41.814 41.766 0.048 1
1 216 . 16 1 1 A 18 18 LEU N N 96 123.012 121.245 1.767 1
1 217 . 16 1 1 A 19 19 CYS H H 97 8.163 8.329 -0.166 1
1 218 . 16 1 1 A 19 19 CYS HA H 97 3.783 4.014 -0.231 1
1 221 . 16 1 1 A 19 19 CYS C C 97 176.663 177.125 -0.462 1
1 222 . 16 1 1 A 19 19 CYS CA C 97 64.973 63.449 1.524 1
1 223 . 16 1 1 A 19 19 CYS CB C 97 25.966 27.309 -1.343 1
1 224 . 16 1 1 A 19 19 CYS N N 97 117.202 117.191 0.011 1
1 225 . 16 1 1 A 20 20 LEU H H 98 7.863 7.968 -0.105 1
1 226 . 16 1 1 A 20 20 LEU HA H 98 3.681 3.786 -0.105 1
1 236 . 16 1 1 A 20 20 LEU C C 98 179.392 179.188 0.204 1
1 237 . 16 1 1 A 20 20 LEU CA C 98 58.319 58.152 0.167 1
1 238 . 16 1 1 A 20 20 LEU CB C 98 41.944 41.453 0.491 1
1 242 . 16 1 1 A 20 20 LEU N N 98 118.833 120.693 -1.860 1
1 243 . 16 1 1 A 21 21 GLN H H 99 7.658 7.775 -0.117 1
1 244 . 16 1 1 A 21 21 GLN HA H 99 3.909 4.051 -0.142 1
1 251 . 16 1 1 A 21 21 GLN C C 99 178.326 178.753 -0.427 1
1 252 . 16 1 1 A 21 21 GLN CA C 99 58.704 58.332 0.372 1
1 253 . 16 1 1 A 21 21 GLN CB C 99 28.630 28.362 0.268 1
1 255 . 16 1 1 A 21 21 GLN N N 99 118.958 117.083 1.875 1
1 257 . 16 1 1 A 22 22 LEU H H 100 8.214 8.706 -0.492 1
1 258 . 16 1 1 A 22 22 LEU HA H 100 4.150 3.953 0.197 1
1 268 . 16 1 1 A 22 22 LEU C C 100 179.438 179.149 0.289 1
1 269 . 16 1 1 A 22 22 LEU CA C 100 58.320 57.838 0.482 1
1 270 . 16 1 1 A 22 22 LEU CB C 100 42.816 41.643 1.173 1
1 274 . 16 1 1 A 22 22 LEU N N 100 119.829 120.022 -0.193 1
1 275 . 16 1 1 A 23 23 ARG H H 101 8.722 8.514 0.208 1
1 276 . 16 1 1 A 23 23 ARG HA H 101 3.946 3.982 -0.036 1
1 284 . 16 1 1 A 23 23 ARG C C 101 179.448 178.663 0.785 1
1 285 . 16 1 1 A 23 23 ARG CA C 101 60.910 59.234 1.676 1
1 286 . 16 1 1 A 23 23 ARG CB C 101 29.853 29.735 0.118 1
1 288 . 16 1 1 A 23 23 ARG N N 101 117.690 119.106 -1.416 1
1 289 . 16 1 1 A 24 24 GLN H H 102 7.804 7.727 0.077 1
1 290 . 16 1 1 A 24 24 GLN HA H 102 4.015 4.064 -0.049 1
1 297 . 16 1 1 A 24 24 GLN C C 102 178.951 178.590 0.361 1
1 298 . 16 1 1 A 24 24 GLN CA C 102 58.785 58.577 0.208 1
1 299 . 16 1 1 A 24 24 GLN CB C 102 28.263 28.167 0.096 1
1 301 . 16 1 1 A 24 24 GLN N N 102 117.686 118.689 -1.003 1
1 303 . 16 1 1 A 25 25 ASP H H 103 8.393 7.875 0.518 1
1 304 . 16 1 1 A 25 25 ASP HA H 103 4.414 4.497 -0.083 1
1 307 . 16 1 1 A 25 25 ASP C C 103 179.476 178.914 0.562 1
1 308 . 16 1 1 A 25 25 ASP CA C 103 57.753 57.591 0.162 1
1 309 . 16 1 1 A 25 25 ASP CB C 103 40.432 40.692 -0.260 1
1 310 . 16 1 1 A 25 25 ASP N N 103 122.118 119.653 2.465 1
1 311 . 16 1 1 A 26 26 ILE H H 104 8.737 7.537 1.200 1
1 312 . 16 1 1 A 26 26 ILE HA H 104 3.761 3.653 0.108 1
1 320 . 16 1 1 A 26 26 ILE C C 104 180.320 177.933 2.387 1
1 321 . 16 1 1 A 26 26 ILE CA C 104 65.902 65.099 0.803 1
1 322 . 16 1 1 A 26 26 ILE CB C 104 38.826 37.826 1.000 1
1 325 . 16 1 1 A 26 26 ILE N N 104 122.668 120.160 2.508 1
1 326 . 16 1 1 A 27 27 VAL H H 105 7.923 7.757 0.166 1
1 327 . 16 1 1 A 27 27 VAL HA H 105 3.077 3.894 -0.817 1
1 335 . 16 1 1 A 27 27 VAL C C 105 176.073 177.446 -1.373 1
1 336 . 16 1 1 A 27 27 VAL CA C 105 67.080 64.744 2.336 1
1 337 . 16 1 1 A 27 27 VAL CB C 105 31.450 31.600 -0.150 1
1 340 . 16 1 1 A 27 27 VAL N N 105 121.194 116.727 4.467 1
1 341 . 16 1 1 A 28 28 ALA H H 106 7.892 7.145 0.747 1
1 342 . 16 1 1 A 28 28 ALA HA H 106 4.286 4.358 -0.072 1
1 346 . 16 1 1 A 28 28 ALA C C 106 178.366 177.761 0.605 1
1 347 . 16 1 1 A 28 28 ALA CA C 106 52.572 52.069 0.503 1
1 348 . 16 1 1 A 28 28 ALA CB C 106 19.616 19.581 0.035 1
1 349 . 16 1 1 A 28 28 ALA N N 106 117.103 121.697 -4.594 1
1 350 . 16 1 1 A 29 29 GLY H H 107 7.670 8.102 -0.432 1
1 351 . 16 1 1 A 29 29 GLY HA2 H 107 4.181 3.926 0.255 1
1 352 . 16 1 1 A 29 29 GLY HA3 H 107 3.924 3.929 -0.005 1
1 353 . 16 1 1 A 29 29 GLY C C 107 174.596 175.209 -0.613 1
1 354 . 16 1 1 A 29 29 GLY CA C 107 45.157 46.516 -1.359 1
1 355 . 16 1 1 A 29 29 GLY N N 107 105.038 107.032 -1.994 1
1 356 . 16 1 1 A 30 30 ARG H H 108 7.972 8.464 -0.492 1
1 357 . 16 1 1 A 30 30 ARG HA H 108 4.185 4.308 -0.123 1
1 365 . 16 1 1 A 30 30 ARG C C 108 175.874 175.457 0.417 1
1 366 . 16 1 1 A 30 30 ARG CA C 108 57.987 56.586 1.401 1
1 367 . 16 1 1 A 30 30 ARG CB C 108 31.218 30.407 0.811 1
1 370 . 16 1 1 A 30 30 ARG N N 108 118.333 118.560 -0.227 1
1 371 . 16 1 1 A 31 31 LEU H H 109 6.696 7.544 -0.848 1
1 372 . 16 1 1 A 31 31 LEU HA H 109 4.939 4.756 0.183 1
1 382 . 16 1 1 A 31 31 LEU C C 109 173.324 174.705 -1.381 1
1 383 . 16 1 1 A 31 31 LEU CA C 109 50.930 51.498 -0.568 1
1 384 . 16 1 1 A 31 31 LEU CB C 109 43.480 44.998 -1.518 1
1 388 . 16 1 1 A 31 31 LEU N N 109 118.681 119.066 -0.385 1
1 389 . 16 1 1 A 32 32 PRO HA H 110 4.411 4.506 -0.095 1
1 396 . 16 1 1 A 32 32 PRO C C 110 176.694 176.103 0.591 1
1 397 . 16 1 1 A 32 32 PRO CA C 110 63.123 63.219 -0.096 1
1 398 . 16 1 1 A 32 32 PRO CB C 110 32.022 32.141 -0.119 1
1 401 . 16 1 1 A 33 33 CYS H H 111 8.273 8.503 -0.230 1
1 402 . 16 1 1 A 33 33 CYS HA H 111 4.834 4.973 -0.139 1
1 405 . 16 1 1 A 33 33 CYS C C 111 173.523 173.532 -0.009 1
1 406 . 16 1 1 A 33 33 CYS CA C 111 57.890 58.278 -0.388 1
1 407 . 16 1 1 A 33 33 CYS CB C 111 32.282 32.664 -0.382 1
1 408 . 16 1 1 A 33 33 CYS N N 111 119.113 122.306 -3.193 1
1 409 . 16 1 1 A 34 34 SER H H 112 8.738 8.716 0.022 1
1 410 . 16 1 1 A 34 34 SER HA H 112 4.527 4.879 -0.352 1
1 413 . 16 1 1 A 34 34 SER C C 112 173.709 175.388 -1.679 1
1 414 . 16 1 1 A 34 34 SER CA C 112 57.256 57.070 0.186 1
1 415 . 16 1 1 A 34 34 SER CB C 112 65.433 65.937 -0.504 1
1 416 . 16 1 1 A 34 34 SER N N 112 118.212 115.398 2.814 1
1 417 . 16 1 1 A 35 35 PHE H H 113 9.027 9.247 -0.220 1
1 418 . 16 1 1 A 35 35 PHE HA H 113 4.047 4.067 -0.020 1
1 426 . 16 1 1 A 35 35 PHE C C 113 176.433 177.187 -0.754 1
1 427 . 16 1 1 A 35 35 PHE CA C 113 62.623 62.704 -0.081 1
1 428 . 16 1 1 A 35 35 PHE CB C 113 39.128 39.790 -0.662 1
1 434 . 16 1 1 A 35 35 PHE N N 113 122.209 122.311 -0.102 1
1 435 . 16 1 1 A 36 36 ALA H H 114 8.631 8.413 0.218 1
1 436 . 16 1 1 A 36 36 ALA HA H 114 3.926 3.991 -0.065 1
1 440 . 16 1 1 A 36 36 ALA C C 114 181.064 179.886 1.178 1
1 441 . 16 1 1 A 36 36 ALA CA C 114 55.300 55.184 0.116 1
1 442 . 16 1 1 A 36 36 ALA CB C 114 18.423 18.018 0.405 1
1 443 . 16 1 1 A 36 36 ALA N N 114 118.977 121.132 -2.155 1
1 444 . 16 1 1 A 37 37 THR H H 115 7.886 7.789 0.097 1
1 445 . 16 1 1 A 37 37 THR HA H 115 3.859 3.970 -0.111 1
1 450 . 16 1 1 A 37 37 THR C C 115 175.630 176.664 -1.034 1
1 451 . 16 1 1 A 37 37 THR CA C 115 66.294 66.636 -0.342 1
1 452 . 16 1 1 A 37 37 THR CB C 115 68.298 68.058 0.240 1
1 454 . 16 1 1 A 37 37 THR N N 115 117.602 114.544 3.058 1
1 455 . 16 1 1 A 38 38 LEU H H 116 8.740 8.167 0.573 1
1 456 . 16 1 1 A 38 38 LEU HA H 116 3.904 3.939 -0.035 1
1 466 . 16 1 1 A 38 38 LEU C C 116 180.666 179.093 1.573 1
1 467 . 16 1 1 A 38 38 LEU CA C 116 58.166 57.869 0.297 1
1 468 . 16 1 1 A 38 38 LEU CB C 116 43.034 41.282 1.752 1
1 472 . 16 1 1 A 38 38 LEU N N 116 122.945 121.244 1.701 1
1 473 . 16 1 1 A 39 39 ALA H H 117 8.151 8.095 0.056 1
1 474 . 16 1 1 A 39 39 ALA HA H 117 3.776 3.879 -0.103 1
1 478 . 16 1 1 A 39 39 ALA C C 117 178.461 179.814 -1.353 1
1 479 . 16 1 1 A 39 39 ALA CA C 117 53.839 54.850 -1.011 1
1 480 . 16 1 1 A 39 39 ALA CB C 117 17.406 17.871 -0.465 1
1 481 . 16 1 1 A 39 39 ALA N N 117 120.752 121.582 -0.830 1
1 482 . 16 1 1 A 40 40 LEU H H 118 7.801 7.998 -0.197 1
1 483 . 16 1 1 A 40 40 LEU HA H 118 3.892 4.075 -0.183 1
1 492 . 16 1 1 A 40 40 LEU C C 118 180.428 178.624 1.804 1
1 493 . 16 1 1 A 40 40 LEU CA C 118 57.978 57.975 0.003 1
1 494 . 16 1 1 A 40 40 LEU CB C 118 42.699 41.919 0.780 1
1 497 . 16 1 1 A 40 40 LEU N N 118 119.699 120.200 -0.501 1
1 498 . 16 1 1 A 41 41 LEU H H 119 9.153 8.885 0.268 1
1 499 . 16 1 1 A 41 41 LEU HA H 119 4.181 4.406 -0.225 1
1 509 . 16 1 1 A 41 41 LEU C C 119 179.132 179.268 -0.136 1
1 510 . 16 1 1 A 41 41 LEU CA C 119 58.696 58.284 0.412 1
1 511 . 16 1 1 A 41 41 LEU CB C 119 39.102 41.872 -2.770 1
1 515 . 16 1 1 A 41 41 LEU N N 119 118.687 119.352 -0.665 1
1 516 . 16 1 1 A 42 42 GLY H H 120 8.253 8.181 0.072 1
1 517 . 16 1 1 A 42 42 GLY HA2 H 120 4.016 3.717 0.299 1
1 518 . 16 1 1 A 42 42 GLY HA3 H 120 3.610 3.731 -0.121 1
1 519 . 16 1 1 A 42 42 GLY C C 120 175.046 176.439 -1.393 1
1 520 . 16 1 1 A 42 42 GLY CA C 120 48.060 47.421 0.639 1
1 521 . 16 1 1 A 42 42 GLY N N 120 106.562 106.949 -0.387 1
1 522 . 16 1 1 A 43 43 SER H H 121 8.456 8.393 0.063 1
1 523 . 16 1 1 A 43 43 SER HA H 121 3.928 4.043 -0.115 1
1 526 . 16 1 1 A 43 43 SER C C 121 175.318 176.238 -0.920 1
1 527 . 16 1 1 A 43 43 SER CA C 121 62.651 62.895 -0.244 1
1 528 . 16 1 1 A 43 43 SER CB C 121 62.722 63.262 -0.540 1
1 529 . 16 1 1 A 43 43 SER N N 121 117.787 118.673 -0.886 1
1 530 . 16 1 1 A 44 44 TYR H H 122 7.311 7.625 -0.314 1
1 531 . 16 1 1 A 44 44 TYR HA H 122 4.635 4.290 0.345 1
1 538 . 16 1 1 A 44 44 TYR C C 122 178.731 178.169 0.562 1
1 539 . 16 1 1 A 44 44 TYR CA C 122 61.704 60.593 1.111 1
1 540 . 16 1 1 A 44 44 TYR CB C 122 38.809 37.974 0.835 1
1 545 . 16 1 1 A 44 44 TYR N N 122 123.923 120.381 3.542 1
1 546 . 16 1 1 A 45 45 THR H H 123 8.748 8.087 0.661 1
1 547 . 16 1 1 A 45 45 THR HA H 123 3.747 3.882 -0.135 1
1 552 . 16 1 1 A 45 45 THR C C 123 175.781 176.578 -0.797 1
1 553 . 16 1 1 A 45 45 THR CA C 123 67.015 67.001 0.014 1
1 554 . 16 1 1 A 45 45 THR CB C 123 67.670 68.201 -0.531 1
1 556 . 16 1 1 A 45 45 THR N N 123 121.374 115.263 6.111 1
1 557 . 16 1 1 A 46 46 ILE H H 124 8.131 7.971 0.160 1
1 558 . 16 1 1 A 46 46 ILE HA H 124 3.161 3.218 -0.057 1
1 568 . 16 1 1 A 46 46 ILE C C 124 177.130 177.735 -0.605 1
1 569 . 16 1 1 A 46 46 ILE CA C 124 62.478 65.360 -2.882 1
1 570 . 16 1 1 A 46 46 ILE CB C 124 35.268 37.438 -2.170 1
1 574 . 16 1 1 A 46 46 ILE N N 124 119.593 121.583 -1.990 1
1 575 . 16 1 1 A 47 47 GLN H H 125 7.871 7.817 0.054 1
1 576 . 16 1 1 A 47 47 GLN HA H 125 4.110 3.638 0.472 1
1 583 . 16 1 1 A 47 47 GLN C C 125 178.150 177.804 0.346 1
1 584 . 16 1 1 A 47 47 GLN CA C 125 58.333 58.393 -0.060 1
1 585 . 16 1 1 A 47 47 GLN CB C 125 27.448 27.954 -0.506 1
1 587 . 16 1 1 A 47 47 GLN N N 125 121.155 120.360 0.795 1
1 589 . 16 1 1 A 48 48 SER H H 126 8.194 7.893 0.301 1
1 590 . 16 1 1 A 48 48 SER HA H 126 4.055 4.134 -0.079 1
1 593 . 16 1 1 A 48 48 SER C C 126 176.209 176.499 -0.290 1
1 594 . 16 1 1 A 48 48 SER CA C 126 60.823 61.138 -0.315 1
1 595 . 16 1 1 A 48 48 SER CB C 126 63.592 62.889 0.703 1
1 596 . 16 1 1 A 48 48 SER N N 126 111.964 114.095 -2.131 1
1 597 . 16 1 1 A 49 49 GLU H H 127 8.009 8.023 -0.014 1
1 598 . 16 1 1 A 49 49 GLU HA H 127 4.296 4.198 0.098 1
1 603 . 16 1 1 A 49 49 GLU C C 127 178.319 178.012 0.307 1
1 604 . 16 1 1 A 49 49 GLU CA C 127 58.376 58.593 -0.217 1
1 605 . 16 1 1 A 49 49 GLU CB C 127 30.928 30.056 0.872 1
1 607 . 16 1 1 A 49 49 GLU N N 127 116.052 121.243 -5.191 1
1 608 . 16 1 1 A 50 50 LEU H H 128 8.916 8.284 0.632 1
1 609 . 16 1 1 A 50 50 LEU HA H 128 4.549 4.570 -0.021 1
1 619 . 16 1 1 A 50 50 LEU C C 128 178.447 177.366 1.081 1
1 620 . 16 1 1 A 50 50 LEU CA C 128 55.159 54.512 0.647 1
1 621 . 16 1 1 A 50 50 LEU CB C 128 43.500 42.637 0.863 1
1 625 . 16 1 1 A 50 50 LEU N N 128 117.044 117.117 -0.073 1
1 626 . 16 1 1 A 51 51 GLY H H 129 7.710 8.190 -0.480 1
1 627 . 16 1 1 A 51 51 GLY HA2 H 129 4.261 3.969 0.292 1
1 628 . 16 1 1 A 51 51 GLY HA3 H 129 3.994 3.976 0.018 1
1 629 . 16 1 1 A 51 51 GLY C C 129 172.406 173.398 -0.992 1
1 630 . 16 1 1 A 51 51 GLY CA C 129 44.162 46.986 -2.824 1
1 631 . 16 1 1 A 51 51 GLY N N 129 109.110 106.468 2.642 1
1 632 . 16 1 1 A 52 52 ASP H H 130 8.131 8.448 -0.317 1
1 633 . 16 1 1 A 52 52 ASP HA H 130 4.577 5.261 -0.684 1
1 636 . 16 1 1 A 52 52 ASP C C 130 176.862 174.506 2.356 1
1 637 . 16 1 1 A 52 52 ASP CA C 130 54.581 53.245 1.336 1
1 638 . 16 1 1 A 52 52 ASP CB C 130 41.028 43.474 -2.446 1
1 639 . 16 1 1 A 52 52 ASP N N 130 118.844 123.444 -4.600 1
1 640 . 16 1 1 A 53 53 TYR H H 131 8.732 8.823 -0.091 1
1 641 . 16 1 1 A 53 53 TYR HA H 131 4.410 4.092 0.318 1
1 648 . 16 1 1 A 53 53 TYR C C 131 174.929 173.653 1.276 1
1 649 . 16 1 1 A 53 53 TYR CA C 131 58.452 57.920 0.532 1
1 650 . 16 1 1 A 53 53 TYR CB C 131 37.536 38.526 -0.990 1
1 655 . 16 1 1 A 53 53 TYR N N 131 121.518 122.259 -0.741 1
1 656 . 16 1 1 A 54 54 ASP H H 132 9.981 7.901 2.080 1
1 657 . 16 1 1 A 54 54 ASP HA H 132 4.652 5.141 -0.489 1
1 660 . 16 1 1 A 54 54 ASP CA C 132 49.843 51.191 -1.348 1
1 661 . 16 1 1 A 54 54 ASP CB C 132 42.737 42.180 0.557 1
1 662 . 16 1 1 A 54 54 ASP N N 132 132.995 128.443 4.552 1
1 663 . 16 1 1 A 55 55 PRO HA H 133 4.117 4.500 -0.383 1
1 670 . 16 1 1 A 55 55 PRO C C 133 178.353 177.594 0.759 1
1 671 . 16 1 1 A 55 55 PRO CA C 133 64.216 64.368 -0.152 1
1 672 . 16 1 1 A 55 55 PRO CB C 133 32.133 31.983 0.150 1
1 675 . 16 1 1 A 56 56 GLU H H 134 7.968 8.853 -0.885 1
1 676 . 16 1 1 A 56 56 GLU HA H 134 4.047 4.035 0.012 1
1 681 . 16 1 1 A 56 56 GLU C C 134 177.001 178.853 -1.852 1
1 682 . 16 1 1 A 56 56 GLU CA C 134 57.984 59.124 -1.140 1
1 683 . 16 1 1 A 56 56 GLU CB C 134 29.667 28.871 0.796 1
1 685 . 16 1 1 A 56 56 GLU N N 134 116.491 116.452 0.039 1
1 686 . 16 1 1 A 57 57 LEU H H 135 7.137 7.407 -0.270 1
1 687 . 16 1 1 A 57 57 LEU HA H 135 4.186 4.090 0.096 1
1 697 . 16 1 1 A 57 57 LEU C C 135 177.695 176.594 1.101 1
1 698 . 16 1 1 A 57 57 LEU CA C 135 55.372 56.362 -0.990 1
1 699 . 16 1 1 A 57 57 LEU CB C 135 43.889 43.316 0.573 1
1 703 . 16 1 1 A 57 57 LEU N N 135 118.254 118.841 -0.587 1
1 704 . 16 1 1 A 58 58 HIS H H 136 8.121 7.193 0.928 1
1 705 . 16 1 1 A 58 58 HIS HA H 136 4.560 4.975 -0.415 1
1 709 . 16 1 1 A 58 58 HIS C C 136 176.135 173.822 2.313 1
1 710 . 16 1 1 A 58 58 HIS CA C 136 56.134 54.868 1.266 1
1 711 . 16 1 1 A 58 58 HIS CB C 136 31.534 35.170 -3.636 1
1 713 . 16 1 1 A 58 58 HIS N N 136 120.254 114.300 5.954 1
1 714 . 16 1 1 A 59 59 GLY H H 137 7.890 8.761 -0.871 1
1 715 . 16 1 1 A 59 59 GLY HA2 H 137 4.166 4.198 -0.032 1
1 716 . 16 1 1 A 59 59 GLY HA3 H 137 3.990 4.393 -0.403 1
1 717 . 16 1 1 A 59 59 GLY C C 137 175.021 174.642 0.379 1
1 718 . 16 1 1 A 59 59 GLY CA C 137 45.431 45.790 -0.359 1
1 719 . 16 1 1 A 59 59 GLY N N 137 108.183 108.542 -0.359 1
1 720 . 16 1 1 A 60 60 VAL H H 138 8.519 7.934 0.585 1
1 721 . 16 1 1 A 60 60 VAL HA H 138 4.503 4.405 0.098 1
1 729 . 16 1 1 A 60 60 VAL C C 138 176.419 175.166 1.253 1
1 730 . 16 1 1 A 60 60 VAL CA C 138 62.905 62.546 0.359 1
1 731 . 16 1 1 A 60 60 VAL CB C 138 32.421 33.573 -1.152 1
1 734 . 16 1 1 A 60 60 VAL N N 138 116.738 115.878 0.860 1
1 735 . 16 1 1 A 61 61 ASP H H 139 8.525 8.109 0.416 1
1 736 . 16 1 1 A 61 61 ASP HA H 139 4.959 4.825 0.134 1
1 739 . 16 1 1 A 61 61 ASP C C 139 177.816 175.481 2.335 1
1 740 . 16 1 1 A 61 61 ASP CA C 139 54.278 53.377 0.901 1
1 741 . 16 1 1 A 61 61 ASP CB C 139 40.771 41.939 -1.168 1
1 742 . 16 1 1 A 61 61 ASP N N 139 120.408 121.724 -1.316 1
1 743 . 16 1 1 A 62 62 TYR H H 140 7.553 8.206 -0.653 1
1 744 . 16 1 1 A 62 62 TYR HA H 140 4.611 4.235 0.376 1
1 751 . 16 1 1 A 62 62 TYR C C 140 176.791 178.018 -1.227 1
1 752 . 16 1 1 A 62 62 TYR CA C 140 59.811 60.102 -0.291 1
1 753 . 16 1 1 A 62 62 TYR CB C 140 37.453 37.577 -0.124 1
1 758 . 16 1 1 A 62 62 TYR N N 140 118.187 119.564 -1.377 1
1 759 . 16 1 1 A 63 63 VAL H H 141 7.645 7.849 -0.204 1
1 760 . 16 1 1 A 63 63 VAL HA H 141 3.861 3.638 0.223 1
1 768 . 16 1 1 A 63 63 VAL C C 141 176.409 178.351 -1.942 1
1 769 . 16 1 1 A 63 63 VAL CA C 141 63.504 66.239 -2.735 1
1 770 . 16 1 1 A 63 63 VAL CB C 141 31.598 31.208 0.390 1
1 773 . 16 1 1 A 63 63 VAL N N 141 118.945 121.909 -2.964 1
1 774 . 16 1 1 A 64 64 SER H H 142 7.611 8.182 -0.571 1
1 775 . 16 1 1 A 64 64 SER HA H 142 4.234 4.327 -0.093 1
1 778 . 16 1 1 A 64 64 SER C C 142 175.035 174.840 0.195 1
1 779 . 16 1 1 A 64 64 SER CA C 142 60.628 61.609 -0.981 1
1 780 . 16 1 1 A 64 64 SER CB C 142 63.183 63.128 0.055 1
1 781 . 16 1 1 A 64 64 SER N N 142 113.661 116.582 -2.921 1
1 782 . 16 1 1 A 65 65 ASP H H 143 7.440 7.759 -0.319 1
1 783 . 16 1 1 A 65 65 ASP HA H 143 4.568 4.527 0.041 1
1 786 . 16 1 1 A 65 65 ASP C C 143 175.376 176.432 -1.056 1
1 787 . 16 1 1 A 65 65 ASP CA C 143 55.077 55.664 -0.587 1
1 788 . 16 1 1 A 65 65 ASP CB C 143 40.913 41.708 -0.795 1
1 789 . 16 1 1 A 65 65 ASP N N 143 118.332 119.864 -1.532 1
1 790 . 16 1 1 A 66 66 PHE H H 144 8.115 7.839 0.276 1
1 791 . 16 1 1 A 66 66 PHE HA H 144 4.369 4.812 -0.443 1
1 798 . 16 1 1 A 66 66 PHE C C 144 174.524 175.375 -0.851 1
1 799 . 16 1 1 A 66 66 PHE CA C 144 57.705 57.630 0.075 1
1 800 . 16 1 1 A 66 66 PHE CB C 144 41.033 40.595 0.438 1
1 805 . 16 1 1 A 66 66 PHE N N 144 120.277 116.910 3.367 1
1 806 . 16 1 1 A 67 67 LYS H H 145 8.688 8.831 -0.143 1
1 807 . 16 1 1 A 67 67 LYS HA H 145 4.671 4.464 0.207 1
1 816 . 16 1 1 A 67 67 LYS C C 145 175.437 176.264 -0.827 1
1 817 . 16 1 1 A 67 67 LYS CA C 145 55.418 55.536 -0.118 1
1 818 . 16 1 1 A 67 67 LYS CB C 145 31.784 31.860 -0.076 1
1 822 . 16 1 1 A 67 67 LYS N N 145 122.931 124.343 -1.412 1
1 823 . 16 1 1 A 68 68 LEU H H 146 9.642 8.533 1.109 1
1 824 . 16 1 1 A 68 68 LEU HA H 146 4.484 4.432 0.052 1
1 834 . 16 1 1 A 68 68 LEU C C 146 175.512 176.563 -1.051 1
1 835 . 16 1 1 A 68 68 LEU CA C 146 54.375 55.871 -1.496 1
1 836 . 16 1 1 A 68 68 LEU CB C 146 44.114 42.718 1.396 1
1 840 . 16 1 1 A 68 68 LEU N N 146 123.156 126.573 -3.417 1
1 841 . 16 1 1 A 69 69 ALA H H 147 7.586 7.480 0.106 1
1 842 . 16 1 1 A 69 69 ALA HA H 147 4.597 4.617 -0.020 1
1 846 . 16 1 1 A 69 69 ALA C C 147 173.720 176.765 -3.045 1
1 847 . 16 1 1 A 69 69 ALA CA C 147 49.637 50.594 -0.957 1
1 848 . 16 1 1 A 69 69 ALA CB C 147 22.691 21.463 1.228 1
1 849 . 16 1 1 A 69 69 ALA N N 147 117.486 117.466 0.020 1
1 850 . 16 1 1 A 70 70 PRO HA H 148 4.578 4.399 0.179 1
1 857 . 16 1 1 A 70 70 PRO C C 148 176.996 176.873 0.123 1
1 858 . 16 1 1 A 70 70 PRO CA C 148 64.435 65.171 -0.736 1
1 859 . 16 1 1 A 70 70 PRO CB C 148 31.448 31.998 -0.550 1
1 862 . 16 1 1 A 71 71 ASN H H 149 8.221 8.312 -0.091 1
1 863 . 16 1 1 A 71 71 ASN HA H 149 4.783 4.878 -0.095 1
1 868 . 16 1 1 A 71 71 ASN C C 149 173.865 173.976 -0.111 1
1 869 . 16 1 1 A 71 71 ASN CA C 149 52.308 52.169 0.139 1
1 870 . 16 1 1 A 71 71 ASN CB C 149 38.065 37.158 0.907 1
1 871 . 16 1 1 A 71 71 ASN N N 149 116.940 115.182 1.758 1
1 873 . 16 1 1 A 72 72 GLN H H 150 8.467 8.914 -0.447 1
1 874 . 16 1 1 A 72 72 GLN HA H 150 3.962 4.660 -0.698 1
1 881 . 16 1 1 A 72 72 GLN C C 150 174.832 174.647 0.185 1
1 882 . 16 1 1 A 72 72 GLN CA C 150 57.793 55.968 1.825 1
1 883 . 16 1 1 A 72 72 GLN CB C 150 29.029 29.371 -0.342 1
1 885 . 16 1 1 A 72 72 GLN N N 150 123.793 124.072 -0.279 1
1 887 . 16 1 1 A 73 73 THR H H 151 7.040 8.463 -1.423 1
1 888 . 16 1 1 A 73 73 THR HA H 151 4.668 4.879 -0.211 1
1 893 . 16 1 1 A 73 73 THR C C 151 175.175 176.088 -0.913 1
1 894 . 16 1 1 A 73 73 THR CA C 151 59.504 59.689 -0.185 1
1 895 . 16 1 1 A 73 73 THR CB C 151 72.544 71.141 1.403 1
1 897 . 16 1 1 A 73 73 THR N N 151 115.239 121.393 -6.154 1
1 898 . 16 1 1 A 74 74 LYS H H 152 8.949 8.897 0.052 1
1 899 . 16 1 1 A 74 74 LYS HA H 152 4.109 4.003 0.106 1
1 908 . 16 1 1 A 74 74 LYS C C 152 178.758 178.191 0.567 1
1 909 . 16 1 1 A 74 74 LYS CA C 152 58.521 59.185 -0.664 1
1 910 . 16 1 1 A 74 74 LYS CB C 152 31.372 31.964 -0.592 1
1 914 . 16 1 1 A 74 74 LYS N N 152 122.065 124.400 -2.335 1
1 915 . 16 1 1 A 75 75 GLU H H 153 8.762 8.427 0.335 1
1 916 . 16 1 1 A 75 75 GLU HA H 153 4.098 4.173 -0.075 1
1 921 . 16 1 1 A 75 75 GLU C C 153 179.947 179.549 0.398 1
1 922 . 16 1 1 A 75 75 GLU CA C 153 60.405 59.213 1.192 1
1 923 . 16 1 1 A 75 75 GLU CB C 153 28.999 29.471 -0.472 1
1 925 . 16 1 1 A 75 75 GLU N N 153 118.335 119.671 -1.336 1
1 926 . 16 1 1 A 76 76 LEU H H 154 7.726 8.138 -0.412 1
1 927 . 16 1 1 A 76 76 LEU HA H 154 4.061 3.898 0.163 1
1 937 . 16 1 1 A 76 76 LEU C C 154 178.292 178.767 -0.475 1
1 938 . 16 1 1 A 76 76 LEU CA C 154 58.188 57.825 0.363 1
1 939 . 16 1 1 A 76 76 LEU CB C 154 41.061 41.604 -0.543 1
1 943 . 16 1 1 A 76 76 LEU N N 154 121.434 121.481 -0.047 1
1 944 . 16 1 1 A 77 77 GLU H H 155 8.044 8.458 -0.414 1
1 945 . 16 1 1 A 77 77 GLU HA H 155 3.394 3.872 -0.478 1
1 950 . 16 1 1 A 77 77 GLU C C 155 178.363 179.401 -1.038 1
1 951 . 16 1 1 A 77 77 GLU CA C 155 60.409 59.923 0.486 1
1 952 . 16 1 1 A 77 77 GLU CB C 155 28.697 29.173 -0.476 1
1 954 . 16 1 1 A 77 77 GLU N N 155 118.172 118.752 -0.580 1
1 955 . 16 1 1 A 78 78 GLU H H 156 8.657 8.821 -0.164 1
1 956 . 16 1 1 A 78 78 GLU HA H 156 3.945 3.985 -0.040 1
1 961 . 16 1 1 A 78 78 GLU C C 156 179.197 178.928 0.269 1
1 962 . 16 1 1 A 78 78 GLU CA C 156 59.869 59.374 0.495 1
1 963 . 16 1 1 A 78 78 GLU CB C 156 29.466 29.190 0.276 1
1 965 . 16 1 1 A 78 78 GLU N N 156 117.944 120.143 -2.199 1
1 966 . 16 1 1 A 79 79 LYS H H 157 7.564 7.771 -0.207 1
1 967 . 16 1 1 A 79 79 LYS HA H 157 4.245 4.150 0.095 1
1 976 . 16 1 1 A 79 79 LYS C C 157 178.328 179.087 -0.759 1
1 977 . 16 1 1 A 79 79 LYS CA C 157 57.557 58.913 -1.356 1
1 978 . 16 1 1 A 79 79 LYS CB C 157 30.969 32.380 -1.411 1
1 982 . 16 1 1 A 79 79 LYS N N 157 121.118 121.055 0.063 1
1 983 . 16 1 1 A 80 80 VAL H H 158 8.412 7.715 0.697 1
1 984 . 16 1 1 A 80 80 VAL HA H 158 3.314 3.904 -0.590 1
1 992 . 16 1 1 A 80 80 VAL C C 158 177.623 178.029 -0.406 1
1 993 . 16 1 1 A 80 80 VAL CA C 158 67.250 66.340 0.910 1
1 994 . 16 1 1 A 80 80 VAL CB C 158 30.867 31.686 -0.819 1
1 997 . 16 1 1 A 80 80 VAL N N 158 119.270 119.259 0.011 1
1 998 . 16 1 1 A 81 81 MET H H 159 8.212 8.031 0.181 1
1 999 . 16 1 1 A 81 81 MET HA H 159 4.039 4.619 -0.580 1
1 1007 . 16 1 1 A 81 81 MET C C 159 177.305 178.470 -1.165 1
1 1008 . 16 1 1 A 81 81 MET CA C 159 59.998 59.284 0.714 1
1 1009 . 16 1 1 A 81 81 MET CB C 159 33.605 33.239 0.366 1
1 1012 . 16 1 1 A 81 81 MET N N 159 117.924 117.663 0.261 1
1 1013 . 16 1 1 A 82 82 GLU H H 160 7.780 8.563 -0.783 1
1 1014 . 16 1 1 A 82 82 GLU HA H 160 3.768 3.983 -0.215 1
1 1019 . 16 1 1 A 82 82 GLU C C 160 179.468 178.946 0.522 1
1 1020 . 16 1 1 A 82 82 GLU CA C 160 59.555 59.092 0.463 1
1 1021 . 16 1 1 A 82 82 GLU CB C 160 29.831 29.418 0.413 1
1 1023 . 16 1 1 A 82 82 GLU N N 160 119.282 120.461 -1.179 1
1 1024 . 16 1 1 A 83 83 LEU H H 161 7.748 8.157 -0.409 1
1 1025 . 16 1 1 A 83 83 LEU HA H 161 3.756 3.627 0.129 1
1 1035 . 16 1 1 A 83 83 LEU C C 161 179.113 178.867 0.246 1
1 1036 . 16 1 1 A 83 83 LEU CA C 161 57.246 57.572 -0.326 1
1 1037 . 16 1 1 A 83 83 LEU CB C 161 41.824 41.515 0.309 1
1 1041 . 16 1 1 A 83 83 LEU N N 161 118.542 120.245 -1.703 1
1 1042 . 16 1 1 A 84 84 HIS H H 162 8.842 8.197 0.645 1
1 1043 . 16 1 1 A 84 84 HIS HA H 162 3.986 4.191 -0.205 1
1 1047 . 16 1 1 A 84 84 HIS C C 162 178.286 177.018 1.268 1
1 1048 . 16 1 1 A 84 84 HIS CA C 162 58.407 60.356 -1.949 1
1 1049 . 16 1 1 A 84 84 HIS CB C 162 32.405 30.221 2.184 1
1 1051 . 16 1 1 A 84 84 HIS N N 162 120.325 118.232 2.093 1
1 1052 . 16 1 1 A 85 85 LYS H H 163 7.951 7.699 0.252 1
1 1053 . 16 1 1 A 85 85 LYS HA H 163 3.383 3.870 -0.487 1
1 1062 . 16 1 1 A 85 85 LYS C C 163 177.303 178.899 -1.596 1
1 1063 . 16 1 1 A 85 85 LYS CA C 163 59.730 58.922 0.808 1
1 1064 . 16 1 1 A 85 85 LYS CB C 163 32.489 31.367 1.122 1
1 1068 . 16 1 1 A 85 85 LYS N N 163 116.598 119.930 -3.332 1
1 1069 . 16 1 1 A 86 86 SER H H 164 7.334 7.987 -0.653 1
1 1070 . 16 1 1 A 86 86 SER HA H 164 4.442 4.138 0.304 1
1 1073 . 16 1 1 A 86 86 SER C C 164 175.296 173.985 1.311 1
1 1074 . 16 1 1 A 86 86 SER CA C 164 59.708 60.581 -0.873 1
1 1075 . 16 1 1 A 86 86 SER CB C 164 64.669 62.732 1.937 1
1 1076 . 16 1 1 A 86 86 SER N N 164 113.922 114.391 -0.469 1
1 1077 . 16 1 1 A 87 87 TYR H H 165 7.321 7.293 0.028 1
1 1078 . 16 1 1 A 87 87 TYR HA H 165 5.037 5.088 -0.051 1
1 1085 . 16 1 1 A 87 87 TYR C C 165 175.143 175.439 -0.296 1
1 1086 . 16 1 1 A 87 87 TYR CA C 165 54.570 57.503 -2.933 1
1 1087 . 16 1 1 A 87 87 TYR CB C 165 36.575 40.486 -3.911 1
1 1092 . 16 1 1 A 87 87 TYR N N 165 123.163 118.326 4.837 1
1 1093 . 16 1 1 A 88 88 ARG H H 166 7.263 8.753 -1.490 1
1 1094 . 16 1 1 A 88 88 ARG HA H 166 4.264 4.930 -0.666 1
1 1102 . 16 1 1 A 88 88 ARG C C 166 177.455 175.355 2.100 1
1 1103 . 16 1 1 A 88 88 ARG CA C 166 58.086 54.847 3.239 1
1 1104 . 16 1 1 A 88 88 ARG CB C 166 30.702 33.148 -2.446 1
1 1107 . 16 1 1 A 88 88 ARG N N 166 119.334 120.862 -1.528 1
1 1108 . 16 1 1 A 89 89 SER H H 167 10.206 8.819 1.387 1
1 1109 . 16 1 1 A 89 89 SER HA H 167 4.265 4.042 0.223 1
1 1112 . 16 1 1 A 89 89 SER C C 167 174.371 173.589 0.782 1
1 1113 . 16 1 1 A 89 89 SER CA C 167 60.818 59.310 1.508 1
1 1114 . 16 1 1 A 89 89 SER CB C 167 62.576 61.961 0.615 1
1 1115 . 16 1 1 A 89 89 SER N N 167 121.486 114.218 7.268 1
1 1116 . 16 1 1 A 90 90 MET H H 168 8.409 7.792 0.617 1
1 1117 . 16 1 1 A 90 90 MET HA H 168 4.531 5.126 -0.595 1
1 1125 . 16 1 1 A 90 90 MET C C 168 177.396 175.791 1.605 1
1 1126 . 16 1 1 A 90 90 MET CA C 168 56.283 54.144 2.139 1
1 1127 . 16 1 1 A 90 90 MET CB C 168 35.048 35.519 -0.471 1
1 1130 . 16 1 1 A 90 90 MET N N 168 124.849 119.171 5.678 1
1 1131 . 16 1 1 A 91 91 THR H H 169 8.981 8.935 0.046 1
1 1132 . 16 1 1 A 91 91 THR HA H 169 4.589 4.985 -0.396 1
1 1137 . 16 1 1 A 91 91 THR C C 169 173.532 174.584 -1.052 1
1 1138 . 16 1 1 A 91 91 THR CA C 169 61.052 59.222 1.830 1
1 1139 . 16 1 1 A 91 91 THR CB C 169 68.249 69.494 -1.245 1
1 1141 . 16 1 1 A 91 91 THR N N 169 122.910 113.674 9.236 1
1 1142 . 16 1 1 A 92 92 PRO HA H 170 4.151 4.223 -0.072 1
1 1147 . 16 1 1 A 92 92 PRO C C 170 177.481 178.288 -0.807 1
1 1148 . 16 1 1 A 92 92 PRO CA C 170 66.599 65.804 0.795 1
1 1149 . 16 1 1 A 92 92 PRO CB C 170 31.740 31.500 0.240 1
1 1151 . 16 1 1 A 93 93 ALA H H 171 7.833 8.423 -0.590 1
1 1152 . 16 1 1 A 93 93 ALA HA H 171 4.135 3.998 0.137 1
1 1156 . 16 1 1 A 93 93 ALA C C 171 180.982 180.709 0.273 1
1 1157 . 16 1 1 A 93 93 ALA CA C 171 54.982 55.421 -0.439 1
1 1158 . 16 1 1 A 93 93 ALA CB C 171 18.373 18.543 -0.170 1
1 1159 . 16 1 1 A 93 93 ALA N N 171 115.945 118.244 -2.299 1
1 1160 . 16 1 1 A 94 94 GLN H H 172 7.868 7.979 -0.111 1
1 1161 . 16 1 1 A 94 94 GLN HA H 172 3.911 4.038 -0.127 1
1 1168 . 16 1 1 A 94 94 GLN C C 172 178.279 178.584 -0.305 1
1 1169 . 16 1 1 A 94 94 GLN CA C 172 58.547 58.839 -0.292 1
1 1170 . 16 1 1 A 94 94 GLN CB C 172 28.318 28.339 -0.021 1
1 1172 . 16 1 1 A 94 94 GLN N N 172 118.910 117.724 1.186 1
1 1174 . 16 1 1 A 95 95 ALA H H 173 8.459 7.785 0.674 1
1 1175 . 16 1 1 A 95 95 ALA HA H 173 4.066 3.915 0.151 1
1 1179 . 16 1 1 A 95 95 ALA C C 173 179.362 179.610 -0.248 1
1 1180 . 16 1 1 A 95 95 ALA CA C 173 55.413 54.969 0.444 1
1 1181 . 16 1 1 A 95 95 ALA CB C 173 17.730 18.456 -0.726 1
1 1182 . 16 1 1 A 95 95 ALA N N 173 123.672 122.460 1.212 1
1 1183 . 16 1 1 A 96 96 ASP H H 174 8.541 8.297 0.244 1
1 1184 . 16 1 1 A 96 96 ASP HA H 174 4.317 4.387 -0.070 1
1 1187 . 16 1 1 A 96 96 ASP C C 174 178.340 178.593 -0.253 1
1 1188 . 16 1 1 A 96 96 ASP CA C 174 57.230 57.182 0.048 1
1 1189 . 16 1 1 A 96 96 ASP CB C 174 40.024 40.599 -0.575 1
1 1190 . 16 1 1 A 96 96 ASP N N 174 119.397 118.817 0.580 1
1 1191 . 16 1 1 A 97 97 LEU H H 175 7.798 8.325 -0.527 1
1 1192 . 16 1 1 A 97 97 LEU HA H 175 3.968 4.140 -0.172 1
1 1202 . 16 1 1 A 97 97 LEU C C 175 179.822 178.302 1.520 1
1 1203 . 16 1 1 A 97 97 LEU CA C 175 58.737 57.739 0.998 1
1 1204 . 16 1 1 A 97 97 LEU CB C 175 41.661 41.545 0.116 1
1 1208 . 16 1 1 A 97 97 LEU N N 175 120.724 119.899 0.825 1
1 1209 . 16 1 1 A 98 98 GLU H H 176 8.172 8.473 -0.301 1
1 1210 . 16 1 1 A 98 98 GLU HA H 176 3.885 3.965 -0.080 1
1 1215 . 16 1 1 A 98 98 GLU C C 176 180.447 178.603 1.844 1
1 1216 . 16 1 1 A 98 98 GLU CA C 176 58.870 58.956 -0.086 1
1 1217 . 16 1 1 A 98 98 GLU CB C 176 27.413 28.951 -1.538 1
1 1219 . 16 1 1 A 98 98 GLU N N 176 119.724 117.101 2.623 1
1 1220 . 16 1 1 A 99 99 PHE H H 177 8.542 7.756 0.786 1
1 1221 . 16 1 1 A 99 99 PHE HA H 177 3.819 4.064 -0.245 1
1 1229 . 16 1 1 A 99 99 PHE C C 177 176.805 177.031 -0.226 1
1 1230 . 16 1 1 A 99 99 PHE CA C 177 62.277 61.332 0.945 1
1 1231 . 16 1 1 A 99 99 PHE CB C 177 38.948 38.971 -0.023 1
1 1237 . 16 1 1 A 99 99 PHE N N 177 123.837 121.245 2.592 1
1 1238 . 16 1 1 A 100 100 LEU H H 178 8.532 8.448 0.084 1
1 1239 . 16 1 1 A 100 100 LEU HA H 178 4.028 3.889 0.139 1
1 1249 . 16 1 1 A 100 100 LEU C C 178 179.884 179.464 0.420 1
1 1250 . 16 1 1 A 100 100 LEU CA C 178 58.046 58.126 -0.080 1
1 1251 . 16 1 1 A 100 100 LEU CB C 178 41.419 41.507 -0.088 1
1 1255 . 16 1 1 A 100 100 LEU N N 178 119.496 119.126 0.370 1
1 1256 . 16 1 1 A 101 101 GLU H H 179 8.769 8.538 0.231 1
1 1257 . 16 1 1 A 101 101 GLU HA H 179 4.043 3.955 0.088 1
1 1262 . 16 1 1 A 101 101 GLU C C 179 179.881 178.985 0.896 1
1 1263 . 16 1 1 A 101 101 GLU CA C 179 59.465 59.234 0.231 1
1 1264 . 16 1 1 A 101 101 GLU CB C 179 29.478 29.190 0.288 1
1 1266 . 16 1 1 A 101 101 GLU N N 179 120.825 121.060 -0.235 1
1 1267 . 16 1 1 A 102 102 ASN H H 180 7.865 7.753 0.112 1
1 1268 . 16 1 1 A 102 102 ASN HA H 180 4.329 4.369 -0.040 1
1 1273 . 16 1 1 A 102 102 ASN C C 180 176.692 177.439 -0.747 1
1 1274 . 16 1 1 A 102 102 ASN CA C 180 57.537 55.723 1.814 1
1 1275 . 16 1 1 A 102 102 ASN CB C 180 40.085 38.184 1.901 1
1 1276 . 16 1 1 A 102 102 ASN N N 180 116.591 117.617 -1.026 1
1 1278 . 16 1 1 A 103 103 ALA H H 181 8.744 8.159 0.585 1
1 1279 . 16 1 1 A 103 103 ALA HA H 181 4.130 3.920 0.210 1
1 1283 . 16 1 1 A 103 103 ALA C C 181 179.546 179.675 -0.129 1
1 1284 . 16 1 1 A 103 103 ALA CA C 181 55.148 54.931 0.217 1
1 1285 . 16 1 1 A 103 103 ALA CB C 181 18.154 18.478 -0.324 1
1 1286 . 16 1 1 A 103 103 ALA N N 181 122.431 122.166 0.265 1
1 1287 . 16 1 1 A 104 104 LYS H H 182 8.493 7.910 0.583 1
1 1288 . 16 1 1 A 104 104 LYS HA H 182 3.786 3.824 -0.038 1
1 1297 . 16 1 1 A 104 104 LYS C C 182 180.012 178.962 1.050 1
1 1298 . 16 1 1 A 104 104 LYS CA C 182 58.547 59.409 -0.862 1
1 1299 . 16 1 1 A 104 104 LYS CB C 182 31.194 32.239 -1.045 1
1 1303 . 16 1 1 A 104 104 LYS N N 182 119.195 117.954 1.241 1
1 1304 . 16 1 1 A 105 105 LYS H H 183 7.661 7.718 -0.057 1
1 1305 . 16 1 1 A 105 105 LYS HA H 183 4.111 4.100 0.011 1
1 1314 . 16 1 1 A 105 105 LYS C C 183 178.010 178.005 0.005 1
1 1315 . 16 1 1 A 105 105 LYS CA C 183 58.823 58.201 0.622 1
1 1316 . 16 1 1 A 105 105 LYS CB C 183 32.287 32.334 -0.047 1
1 1320 . 16 1 1 A 105 105 LYS N N 183 120.301 118.553 1.748 1
1 1321 . 16 1 1 A 106 106 LEU H H 184 7.403 7.461 -0.058 1
1 1322 . 16 1 1 A 106 106 LEU HA H 184 4.385 4.292 0.093 1
1 1331 . 16 1 1 A 106 106 LEU C C 184 176.332 176.381 -0.049 1
1 1332 . 16 1 1 A 106 106 LEU CA C 184 54.857 54.772 0.085 1
1 1333 . 16 1 1 A 106 106 LEU CB C 184 42.054 42.189 -0.135 1
1 1336 . 16 1 1 A 106 106 LEU N N 184 118.606 118.149 0.457 1
1 1337 . 16 1 1 A 107 107 SER H H 185 8.123 7.919 0.204 1
1 1338 . 16 1 1 A 107 107 SER HA H 185 4.202 4.060 0.142 1
1 1341 . 16 1 1 A 107 107 SER C C 185 174.826 174.319 0.507 1
1 1342 . 16 1 1 A 107 107 SER CA C 185 58.894 59.123 -0.229 1
1 1343 . 16 1 1 A 107 107 SER CB C 185 61.684 62.494 -0.810 1
1 1344 . 16 1 1 A 107 107 SER N N 185 113.023 113.875 -0.852 1
1 1345 . 16 1 1 A 108 108 MET H H 186 8.212 7.844 0.368 1
1 1346 . 16 1 1 A 108 108 MET HA H 186 4.188 4.192 -0.004 1
1 1354 . 16 1 1 A 108 108 MET C C 186 174.495 176.681 -2.186 1
1 1355 . 16 1 1 A 108 108 MET CA C 186 57.328 58.527 -1.199 1
1 1356 . 16 1 1 A 108 108 MET CB C 186 33.414 33.422 -0.008 1
1 1359 . 16 1 1 A 108 108 MET N N 186 117.267 118.934 -1.667 1
1 4 . 17 1 1 A 2 2 SER HA H 80 4.477 4.424 0.053 1
1 7 . 17 1 1 A 2 2 SER CA C 80 58.344 60.842 -2.498 1
1 8 . 17 1 1 A 2 2 SER CB C 80 64.002 61.980 2.022 1
1 9 . 17 1 1 A 3 3 HIS HA H 81 4.614 4.215 0.399 1
1 13 . 17 1 1 A 3 3 HIS C C 81 174.681 174.754 -0.073 1
1 14 . 17 1 1 A 3 3 HIS CA C 81 56.231 56.988 -0.757 1
1 15 . 17 1 1 A 3 3 HIS CB C 81 29.839 28.385 1.454 1
1 17 . 17 1 1 A 4 4 MET H H 82 8.285 7.791 0.494 1
1 18 . 17 1 1 A 4 4 MET HA H 82 4.416 4.445 -0.029 1
1 26 . 17 1 1 A 4 4 MET C C 82 175.286 175.609 -0.323 1
1 27 . 17 1 1 A 4 4 MET CA C 82 55.165 55.367 -0.202 1
1 28 . 17 1 1 A 4 4 MET CB C 82 32.988 33.378 -0.390 1
1 31 . 17 1 1 A 4 4 MET N N 82 121.559 118.011 3.548 1
1 32 . 17 1 1 A 5 5 ASP H H 83 8.362 8.911 -0.549 1
1 33 . 17 1 1 A 5 5 ASP HA H 83 4.844 4.857 -0.013 1
1 36 . 17 1 1 A 5 5 ASP C C 83 175.239 176.187 -0.948 1
1 37 . 17 1 1 A 5 5 ASP CA C 83 52.238 52.735 -0.497 1
1 38 . 17 1 1 A 5 5 ASP CB C 83 41.471 40.358 1.113 1
1 39 . 17 1 1 A 5 5 ASP N N 83 124.060 121.782 2.278 1
1 40 . 17 1 1 A 6 6 PRO HA H 84 4.327 4.411 -0.084 1
1 47 . 17 1 1 A 6 6 PRO C C 84 177.388 178.222 -0.834 1
1 48 . 17 1 1 A 6 6 PRO CA C 84 64.084 64.656 -0.572 1
1 49 . 17 1 1 A 6 6 PRO CB C 84 32.022 31.948 0.074 1
1 52 . 17 1 1 A 7 7 ALA H H 85 8.406 7.676 0.730 1
1 53 . 17 1 1 A 7 7 ALA HA H 85 4.239 4.111 0.128 1
1 57 . 17 1 1 A 7 7 ALA C C 85 178.462 177.650 0.812 1
1 58 . 17 1 1 A 7 7 ALA CA C 85 53.223 55.205 -1.982 1
1 59 . 17 1 1 A 7 7 ALA CB C 85 18.801 19.229 -0.428 1
1 60 . 17 1 1 A 7 7 ALA N N 85 121.868 118.933 2.935 1
1 61 . 17 1 1 A 8 8 GLN H H 86 7.985 7.840 0.145 1
1 62 . 17 1 1 A 8 8 GLN HA H 86 4.264 4.009 0.255 1
1 69 . 17 1 1 A 8 8 GLN C C 86 176.124 176.237 -0.113 1
1 70 . 17 1 1 A 8 8 GLN CA C 86 56.101 56.851 -0.750 1
1 71 . 17 1 1 A 8 8 GLN CB C 86 29.456 26.383 3.073 1
1 73 . 17 1 1 A 8 8 GLN N N 86 117.727 112.855 4.872 1
1 75 . 17 1 1 A 9 9 LEU H H 87 8.102 7.810 0.292 1
1 76 . 17 1 1 A 9 9 LEU HA H 87 4.394 3.935 0.459 1
1 86 . 17 1 1 A 9 9 LEU C C 87 177.923 178.016 -0.093 1
1 87 . 17 1 1 A 9 9 LEU CA C 87 55.454 57.975 -2.521 1
1 88 . 17 1 1 A 9 9 LEU CB C 87 42.188 41.090 1.098 1
1 92 . 17 1 1 A 9 9 LEU N N 87 122.045 119.721 2.324 1
1 93 . 17 1 1 A 10 10 THR H H 88 7.902 8.193 -0.291 1
1 94 . 17 1 1 A 10 10 THR HA H 88 4.258 3.957 0.301 1
1 99 . 17 1 1 A 10 10 THR C C 88 175.742 176.526 -0.784 1
1 100 . 17 1 1 A 10 10 THR CA C 88 62.974 65.657 -2.683 1
1 101 . 17 1 1 A 10 10 THR CB C 88 69.759 68.169 1.590 1
1 103 . 17 1 1 A 10 10 THR N N 88 113.859 112.016 1.843 1
1 104 . 17 1 1 A 11 11 GLU H H 89 8.594 8.372 0.222 1
1 105 . 17 1 1 A 11 11 GLU HA H 89 4.213 3.961 0.252 1
1 110 . 17 1 1 A 11 11 GLU C C 89 177.577 178.421 -0.844 1
1 111 . 17 1 1 A 11 11 GLU CA C 89 58.496 59.315 -0.819 1
1 112 . 17 1 1 A 11 11 GLU CB C 89 29.751 29.535 0.216 1
1 114 . 17 1 1 A 11 11 GLU N N 89 122.144 122.149 -0.005 1
1 115 . 17 1 1 A 12 12 ASP H H 90 8.244 7.779 0.465 1
1 116 . 17 1 1 A 12 12 ASP HA H 90 4.419 4.495 -0.076 1
1 119 . 17 1 1 A 12 12 ASP C C 90 178.623 178.746 -0.123 1
1 120 . 17 1 1 A 12 12 ASP CA C 90 56.589 57.143 -0.554 1
1 121 . 17 1 1 A 12 12 ASP CB C 90 40.332 40.891 -0.559 1
1 122 . 17 1 1 A 12 12 ASP N N 90 119.922 118.693 1.229 1
1 123 . 17 1 1 A 13 13 ILE H H 91 8.092 8.122 -0.030 1
1 124 . 17 1 1 A 13 13 ILE HA H 91 3.987 3.725 0.262 1
1 134 . 17 1 1 A 13 13 ILE C C 91 177.124 178.290 -1.166 1
1 135 . 17 1 1 A 13 13 ILE CA C 91 63.562 65.266 -1.704 1
1 136 . 17 1 1 A 13 13 ILE CB C 91 37.830 37.379 0.451 1
1 140 . 17 1 1 A 13 13 ILE N N 91 122.909 119.493 3.416 1
1 141 . 17 1 1 A 14 14 THR H H 92 8.045 8.745 -0.700 1
1 142 . 17 1 1 A 14 14 THR HA H 92 4.040 3.846 0.194 1
1 147 . 17 1 1 A 14 14 THR C C 92 177.358 176.905 0.453 1
1 148 . 17 1 1 A 14 14 THR CA C 92 66.244 65.440 0.804 1
1 149 . 17 1 1 A 14 14 THR CB C 92 68.629 68.875 -0.246 1
1 151 . 17 1 1 A 14 14 THR N N 92 116.529 114.479 2.050 1
1 152 . 17 1 1 A 15 15 ARG H H 93 7.984 8.191 -0.207 1
1 153 . 17 1 1 A 15 15 ARG HA H 93 3.974 3.953 0.021 1
1 161 . 17 1 1 A 15 15 ARG C C 93 177.719 177.854 -0.135 1
1 162 . 17 1 1 A 15 15 ARG CA C 93 60.312 59.448 0.864 1
1 163 . 17 1 1 A 15 15 ARG CB C 93 30.591 29.721 0.870 1
1 166 . 17 1 1 A 15 15 ARG N N 93 121.521 121.303 0.218 1
1 167 . 17 1 1 A 16 16 TYR H H 94 7.948 8.144 -0.196 1
1 168 . 17 1 1 A 16 16 TYR HA H 94 4.045 4.255 -0.210 1
1 175 . 17 1 1 A 16 16 TYR C C 94 177.690 177.316 0.374 1
1 176 . 17 1 1 A 16 16 TYR CA C 94 61.568 61.530 0.038 1
1 177 . 17 1 1 A 16 16 TYR CB C 94 37.543 38.868 -1.325 1
1 182 . 17 1 1 A 16 16 TYR N N 94 120.911 120.706 0.205 1
1 183 . 17 1 1 A 17 17 TYR H H 95 8.143 8.150 -0.007 1
1 184 . 17 1 1 A 17 17 TYR HA H 95 4.049 3.974 0.075 1
1 191 . 17 1 1 A 17 17 TYR C C 95 179.000 177.999 1.001 1
1 192 . 17 1 1 A 17 17 TYR CA C 95 61.454 61.833 -0.379 1
1 193 . 17 1 1 A 17 17 TYR CB C 95 37.483 37.941 -0.458 1
1 198 . 17 1 1 A 17 17 TYR N N 95 117.066 118.148 -1.082 1
1 199 . 17 1 1 A 18 18 LEU H H 96 7.976 8.843 -0.867 1
1 200 . 17 1 1 A 18 18 LEU HA H 96 4.203 3.900 0.303 1
1 210 . 17 1 1 A 18 18 LEU C C 96 178.998 178.465 0.533 1
1 211 . 17 1 1 A 18 18 LEU CA C 96 58.097 58.157 -0.060 1
1 212 . 17 1 1 A 18 18 LEU CB C 96 41.814 41.544 0.270 1
1 216 . 17 1 1 A 18 18 LEU N N 96 123.012 120.757 2.255 1
1 217 . 17 1 1 A 19 19 CYS H H 97 8.163 8.419 -0.256 1
1 218 . 17 1 1 A 19 19 CYS HA H 97 3.783 3.890 -0.107 1
1 221 . 17 1 1 A 19 19 CYS C C 97 176.663 177.110 -0.447 1
1 222 . 17 1 1 A 19 19 CYS CA C 97 64.973 63.321 1.652 1
1 223 . 17 1 1 A 19 19 CYS CB C 97 25.966 26.975 -1.009 1
1 224 . 17 1 1 A 19 19 CYS N N 97 117.202 117.456 -0.254 1
1 225 . 17 1 1 A 20 20 LEU H H 98 7.863 8.013 -0.150 1
1 226 . 17 1 1 A 20 20 LEU HA H 98 3.681 3.723 -0.042 1
1 236 . 17 1 1 A 20 20 LEU C C 98 179.392 179.095 0.297 1
1 237 . 17 1 1 A 20 20 LEU CA C 98 58.319 58.013 0.306 1
1 238 . 17 1 1 A 20 20 LEU CB C 98 41.944 41.209 0.735 1
1 242 . 17 1 1 A 20 20 LEU N N 98 118.833 120.303 -1.470 1
1 243 . 17 1 1 A 21 21 GLN H H 99 7.658 8.450 -0.792 1
1 244 . 17 1 1 A 21 21 GLN HA H 99 3.909 3.959 -0.050 1
1 251 . 17 1 1 A 21 21 GLN C C 99 178.326 178.366 -0.040 1
1 252 . 17 1 1 A 21 21 GLN CA C 99 58.704 58.626 0.078 1
1 253 . 17 1 1 A 21 21 GLN CB C 99 28.630 28.379 0.251 1
1 255 . 17 1 1 A 21 21 GLN N N 99 118.958 117.571 1.387 1
1 257 . 17 1 1 A 22 22 LEU H H 100 8.214 8.730 -0.516 1
1 258 . 17 1 1 A 22 22 LEU HA H 100 4.150 3.984 0.166 1
1 268 . 17 1 1 A 22 22 LEU C C 100 179.438 179.397 0.041 1
1 269 . 17 1 1 A 22 22 LEU CA C 100 58.320 57.710 0.610 1
1 270 . 17 1 1 A 22 22 LEU CB C 100 42.816 41.680 1.136 1
1 274 . 17 1 1 A 22 22 LEU N N 100 119.829 120.189 -0.360 1
1 275 . 17 1 1 A 23 23 ARG H H 101 8.722 8.542 0.180 1
1 276 . 17 1 1 A 23 23 ARG HA H 101 3.946 4.088 -0.142 1
1 284 . 17 1 1 A 23 23 ARG C C 101 179.448 178.993 0.455 1
1 285 . 17 1 1 A 23 23 ARG CA C 101 60.910 59.396 1.514 1
1 286 . 17 1 1 A 23 23 ARG CB C 101 29.853 29.827 0.026 1
1 288 . 17 1 1 A 23 23 ARG N N 101 117.690 118.939 -1.249 1
1 289 . 17 1 1 A 24 24 GLN H H 102 7.804 7.697 0.107 1
1 290 . 17 1 1 A 24 24 GLN HA H 102 4.015 4.019 -0.004 1
1 297 . 17 1 1 A 24 24 GLN C C 102 178.951 178.610 0.341 1
1 298 . 17 1 1 A 24 24 GLN CA C 102 58.785 58.475 0.310 1
1 299 . 17 1 1 A 24 24 GLN CB C 102 28.263 28.302 -0.039 1
1 301 . 17 1 1 A 24 24 GLN N N 102 117.686 118.321 -0.635 1
1 303 . 17 1 1 A 25 25 ASP H H 103 8.393 7.935 0.458 1
1 304 . 17 1 1 A 25 25 ASP HA H 103 4.414 4.512 -0.098 1
1 307 . 17 1 1 A 25 25 ASP C C 103 179.476 178.952 0.524 1
1 308 . 17 1 1 A 25 25 ASP CA C 103 57.753 57.522 0.231 1
1 309 . 17 1 1 A 25 25 ASP CB C 103 40.432 40.691 -0.259 1
1 310 . 17 1 1 A 25 25 ASP N N 103 122.118 120.279 1.839 1
1 311 . 17 1 1 A 26 26 ILE H H 104 8.737 7.701 1.036 1
1 312 . 17 1 1 A 26 26 ILE HA H 104 3.761 3.642 0.119 1
1 320 . 17 1 1 A 26 26 ILE C C 104 180.320 177.990 2.330 1
1 321 . 17 1 1 A 26 26 ILE CA C 104 65.902 65.142 0.760 1
1 322 . 17 1 1 A 26 26 ILE CB C 104 38.826 37.998 0.828 1
1 325 . 17 1 1 A 26 26 ILE N N 104 122.668 120.155 2.513 1
1 326 . 17 1 1 A 27 27 VAL H H 105 7.923 7.810 0.113 1
1 327 . 17 1 1 A 27 27 VAL HA H 105 3.077 3.892 -0.815 1
1 335 . 17 1 1 A 27 27 VAL C C 105 176.073 177.186 -1.113 1
1 336 . 17 1 1 A 27 27 VAL CA C 105 67.080 64.733 2.347 1
1 337 . 17 1 1 A 27 27 VAL CB C 105 31.450 31.614 -0.164 1
1 340 . 17 1 1 A 27 27 VAL N N 105 121.194 116.684 4.510 1
1 341 . 17 1 1 A 28 28 ALA H H 106 7.892 7.211 0.681 1
1 342 . 17 1 1 A 28 28 ALA HA H 106 4.286 4.370 -0.084 1
1 346 . 17 1 1 A 28 28 ALA C C 106 178.366 177.719 0.647 1
1 347 . 17 1 1 A 28 28 ALA CA C 106 52.572 52.023 0.549 1
1 348 . 17 1 1 A 28 28 ALA CB C 106 19.616 19.605 0.011 1
1 349 . 17 1 1 A 28 28 ALA N N 106 117.103 121.704 -4.601 1
1 350 . 17 1 1 A 29 29 GLY H H 107 7.670 8.104 -0.434 1
1 351 . 17 1 1 A 29 29 GLY HA2 H 107 4.181 3.932 0.249 1
1 352 . 17 1 1 A 29 29 GLY HA3 H 107 3.924 3.935 -0.011 1
1 353 . 17 1 1 A 29 29 GLY C C 107 174.596 174.876 -0.280 1
1 354 . 17 1 1 A 29 29 GLY CA C 107 45.157 46.542 -1.385 1
1 355 . 17 1 1 A 29 29 GLY N N 107 105.038 107.023 -1.985 1
1 356 . 17 1 1 A 30 30 ARG H H 108 7.972 8.334 -0.362 1
1 357 . 17 1 1 A 30 30 ARG HA H 108 4.185 4.208 -0.023 1
1 365 . 17 1 1 A 30 30 ARG C C 108 175.874 175.319 0.555 1
1 366 . 17 1 1 A 30 30 ARG CA C 108 57.987 57.591 0.396 1
1 367 . 17 1 1 A 30 30 ARG CB C 108 31.218 31.137 0.081 1
1 370 . 17 1 1 A 30 30 ARG N N 108 118.333 121.400 -3.067 1
1 371 . 17 1 1 A 31 31 LEU H H 109 6.696 7.441 -0.745 1
1 372 . 17 1 1 A 31 31 LEU HA H 109 4.939 4.878 0.061 1
1 382 . 17 1 1 A 31 31 LEU C C 109 173.324 174.527 -1.203 1
1 383 . 17 1 1 A 31 31 LEU CA C 109 50.930 51.289 -0.359 1
1 384 . 17 1 1 A 31 31 LEU CB C 109 43.480 45.624 -2.144 1
1 388 . 17 1 1 A 31 31 LEU N N 109 118.681 119.190 -0.509 1
1 389 . 17 1 1 A 32 32 PRO HA H 110 4.411 4.843 -0.432 1
1 396 . 17 1 1 A 32 32 PRO C C 110 176.694 176.104 0.590 1
1 397 . 17 1 1 A 32 32 PRO CA C 110 63.123 62.633 0.490 1
1 398 . 17 1 1 A 32 32 PRO CB C 110 32.022 31.709 0.313 1
1 401 . 17 1 1 A 33 33 CYS H H 111 8.273 8.532 -0.259 1
1 402 . 17 1 1 A 33 33 CYS HA H 111 4.834 5.045 -0.211 1
1 405 . 17 1 1 A 33 33 CYS C C 111 173.523 173.280 0.243 1
1 406 . 17 1 1 A 33 33 CYS CA C 111 57.890 57.933 -0.043 1
1 407 . 17 1 1 A 33 33 CYS CB C 111 32.282 32.933 -0.651 1
1 408 . 17 1 1 A 33 33 CYS N N 111 119.113 122.932 -3.819 1
1 409 . 17 1 1 A 34 34 SER H H 112 8.738 8.881 -0.143 1
1 410 . 17 1 1 A 34 34 SER HA H 112 4.527 4.851 -0.324 1
1 413 . 17 1 1 A 34 34 SER C C 112 173.709 175.727 -2.018 1
1 414 . 17 1 1 A 34 34 SER CA C 112 57.256 57.358 -0.102 1
1 415 . 17 1 1 A 34 34 SER CB C 112 65.433 65.366 0.067 1
1 416 . 17 1 1 A 34 34 SER N N 112 118.212 118.088 0.124 1
1 417 . 17 1 1 A 35 35 PHE H H 113 9.027 9.387 -0.360 1
1 418 . 17 1 1 A 35 35 PHE HA H 113 4.047 4.086 -0.039 1
1 426 . 17 1 1 A 35 35 PHE C C 113 176.433 177.151 -0.718 1
1 427 . 17 1 1 A 35 35 PHE CA C 113 62.623 62.676 -0.053 1
1 428 . 17 1 1 A 35 35 PHE CB C 113 39.128 39.671 -0.543 1
1 434 . 17 1 1 A 35 35 PHE N N 113 122.209 124.232 -2.023 1
1 435 . 17 1 1 A 36 36 ALA H H 114 8.631 8.290 0.341 1
1 436 . 17 1 1 A 36 36 ALA HA H 114 3.926 4.091 -0.165 1
1 440 . 17 1 1 A 36 36 ALA C C 114 181.064 180.148 0.916 1
1 441 . 17 1 1 A 36 36 ALA CA C 114 55.300 55.347 -0.047 1
1 442 . 17 1 1 A 36 36 ALA CB C 114 18.423 18.729 -0.306 1
1 443 . 17 1 1 A 36 36 ALA N N 114 118.977 121.160 -2.183 1
1 444 . 17 1 1 A 37 37 THR H H 115 7.886 8.122 -0.236 1
1 445 . 17 1 1 A 37 37 THR HA H 115 3.859 3.930 -0.071 1
1 450 . 17 1 1 A 37 37 THR C C 115 175.630 176.432 -0.802 1
1 451 . 17 1 1 A 37 37 THR CA C 115 66.294 67.043 -0.749 1
1 452 . 17 1 1 A 37 37 THR CB C 115 68.298 67.899 0.399 1
1 454 . 17 1 1 A 37 37 THR N N 115 117.602 114.598 3.004 1
1 455 . 17 1 1 A 38 38 LEU H H 116 8.740 8.215 0.525 1
1 456 . 17 1 1 A 38 38 LEU HA H 116 3.904 3.902 0.002 1
1 466 . 17 1 1 A 38 38 LEU C C 116 180.666 179.237 1.429 1
1 467 . 17 1 1 A 38 38 LEU CA C 116 58.166 58.060 0.106 1
1 468 . 17 1 1 A 38 38 LEU CB C 116 43.034 41.525 1.509 1
1 472 . 17 1 1 A 38 38 LEU N N 116 122.945 121.345 1.600 1
1 473 . 17 1 1 A 39 39 ALA H H 117 8.151 8.342 -0.191 1
1 474 . 17 1 1 A 39 39 ALA HA H 117 3.776 3.863 -0.087 1
1 478 . 17 1 1 A 39 39 ALA C C 117 178.461 179.808 -1.347 1
1 479 . 17 1 1 A 39 39 ALA CA C 117 53.839 54.972 -1.133 1
1 480 . 17 1 1 A 39 39 ALA CB C 117 17.406 18.117 -0.711 1
1 481 . 17 1 1 A 39 39 ALA N N 117 120.752 121.374 -0.622 1
1 482 . 17 1 1 A 40 40 LEU H H 118 7.801 8.132 -0.331 1
1 483 . 17 1 1 A 40 40 LEU HA H 118 3.892 3.981 -0.089 1
1 492 . 17 1 1 A 40 40 LEU C C 118 180.428 178.513 1.915 1
1 493 . 17 1 1 A 40 40 LEU CA C 118 57.978 57.906 0.072 1
1 494 . 17 1 1 A 40 40 LEU CB C 118 42.699 42.029 0.670 1
1 497 . 17 1 1 A 40 40 LEU N N 118 119.699 120.161 -0.462 1
1 498 . 17 1 1 A 41 41 LEU H H 119 9.153 8.839 0.314 1
1 499 . 17 1 1 A 41 41 LEU HA H 119 4.181 4.387 -0.206 1
1 509 . 17 1 1 A 41 41 LEU C C 119 179.132 179.429 -0.297 1
1 510 . 17 1 1 A 41 41 LEU CA C 119 58.696 58.323 0.373 1
1 511 . 17 1 1 A 41 41 LEU CB C 119 39.102 41.806 -2.704 1
1 515 . 17 1 1 A 41 41 LEU N N 119 118.687 119.325 -0.638 1
1 516 . 17 1 1 A 42 42 GLY H H 120 8.253 8.177 0.076 1
1 517 . 17 1 1 A 42 42 GLY HA2 H 120 4.016 3.737 0.279 1
1 518 . 17 1 1 A 42 42 GLY HA3 H 120 3.610 3.751 -0.141 1
1 519 . 17 1 1 A 42 42 GLY C C 120 175.046 176.500 -1.454 1
1 520 . 17 1 1 A 42 42 GLY CA C 120 48.060 47.487 0.573 1
1 521 . 17 1 1 A 42 42 GLY N N 120 106.562 106.929 -0.367 1
1 522 . 17 1 1 A 43 43 SER H H 121 8.456 8.222 0.234 1
1 523 . 17 1 1 A 43 43 SER HA H 121 3.928 4.174 -0.246 1
1 526 . 17 1 1 A 43 43 SER C C 121 175.318 176.280 -0.962 1
1 527 . 17 1 1 A 43 43 SER CA C 121 62.651 62.918 -0.267 1
1 528 . 17 1 1 A 43 43 SER CB C 121 62.722 63.288 -0.566 1
1 529 . 17 1 1 A 43 43 SER N N 121 117.787 118.733 -0.946 1
1 530 . 17 1 1 A 44 44 TYR H H 122 7.311 7.593 -0.282 1
1 531 . 17 1 1 A 44 44 TYR HA H 122 4.635 4.325 0.310 1
1 538 . 17 1 1 A 44 44 TYR C C 122 178.731 178.149 0.582 1
1 539 . 17 1 1 A 44 44 TYR CA C 122 61.704 60.679 1.025 1
1 540 . 17 1 1 A 44 44 TYR CB C 122 38.809 38.047 0.762 1
1 545 . 17 1 1 A 44 44 TYR N N 122 123.923 120.186 3.737 1
1 546 . 17 1 1 A 45 45 THR H H 123 8.748 8.186 0.562 1
1 547 . 17 1 1 A 45 45 THR HA H 123 3.747 3.891 -0.144 1
1 552 . 17 1 1 A 45 45 THR C C 123 175.781 176.432 -0.651 1
1 553 . 17 1 1 A 45 45 THR CA C 123 67.015 67.109 -0.094 1
1 554 . 17 1 1 A 45 45 THR CB C 123 67.670 68.178 -0.508 1
1 556 . 17 1 1 A 45 45 THR N N 123 121.374 115.198 6.176 1
1 557 . 17 1 1 A 46 46 ILE H H 124 8.131 8.168 -0.037 1
1 558 . 17 1 1 A 46 46 ILE HA H 124 3.161 3.217 -0.056 1
1 568 . 17 1 1 A 46 46 ILE C C 124 177.130 177.873 -0.743 1
1 569 . 17 1 1 A 46 46 ILE CA C 124 62.478 65.504 -3.026 1
1 570 . 17 1 1 A 46 46 ILE CB C 124 35.268 37.789 -2.521 1
1 574 . 17 1 1 A 46 46 ILE N N 124 119.593 121.595 -2.002 1
1 575 . 17 1 1 A 47 47 GLN H H 125 7.871 7.928 -0.057 1
1 576 . 17 1 1 A 47 47 GLN HA H 125 4.110 3.585 0.525 1
1 583 . 17 1 1 A 47 47 GLN C C 125 178.150 177.826 0.324 1
1 584 . 17 1 1 A 47 47 GLN CA C 125 58.333 58.418 -0.085 1
1 585 . 17 1 1 A 47 47 GLN CB C 125 27.448 27.846 -0.398 1
1 587 . 17 1 1 A 47 47 GLN N N 125 121.155 120.269 0.886 1
1 589 . 17 1 1 A 48 48 SER H H 126 8.194 7.919 0.275 1
1 590 . 17 1 1 A 48 48 SER HA H 126 4.055 4.117 -0.062 1
1 593 . 17 1 1 A 48 48 SER C C 126 176.209 176.385 -0.176 1
1 594 . 17 1 1 A 48 48 SER CA C 126 60.823 61.129 -0.306 1
1 595 . 17 1 1 A 48 48 SER CB C 126 63.592 62.914 0.678 1
1 596 . 17 1 1 A 48 48 SER N N 126 111.964 113.919 -1.955 1
1 597 . 17 1 1 A 49 49 GLU H H 127 8.009 7.982 0.027 1
1 598 . 17 1 1 A 49 49 GLU HA H 127 4.296 4.186 0.110 1
1 603 . 17 1 1 A 49 49 GLU C C 127 178.319 178.019 0.300 1
1 604 . 17 1 1 A 49 49 GLU CA C 127 58.376 58.513 -0.137 1
1 605 . 17 1 1 A 49 49 GLU CB C 127 30.928 30.040 0.888 1
1 607 . 17 1 1 A 49 49 GLU N N 127 116.052 120.986 -4.934 1
1 608 . 17 1 1 A 50 50 LEU H H 128 8.916 8.337 0.579 1
1 609 . 17 1 1 A 50 50 LEU HA H 128 4.549 4.426 0.123 1
1 619 . 17 1 1 A 50 50 LEU C C 128 178.447 177.326 1.121 1
1 620 . 17 1 1 A 50 50 LEU CA C 128 55.159 54.553 0.606 1
1 621 . 17 1 1 A 50 50 LEU CB C 128 43.500 42.286 1.214 1
1 625 . 17 1 1 A 50 50 LEU N N 128 117.044 116.940 0.104 1
1 626 . 17 1 1 A 51 51 GLY H H 129 7.710 8.101 -0.391 1
1 627 . 17 1 1 A 51 51 GLY HA2 H 129 4.261 3.943 0.318 1
1 628 . 17 1 1 A 51 51 GLY HA3 H 129 3.994 3.952 0.042 1
1 629 . 17 1 1 A 51 51 GLY C C 129 172.406 173.512 -1.106 1
1 630 . 17 1 1 A 51 51 GLY CA C 129 44.162 47.066 -2.904 1
1 631 . 17 1 1 A 51 51 GLY N N 129 109.110 106.236 2.874 1
1 632 . 17 1 1 A 52 52 ASP H H 130 8.131 8.404 -0.273 1
1 633 . 17 1 1 A 52 52 ASP HA H 130 4.577 5.323 -0.746 1
1 636 . 17 1 1 A 52 52 ASP C C 130 176.862 174.407 2.455 1
1 637 . 17 1 1 A 52 52 ASP CA C 130 54.581 53.586 0.995 1
1 638 . 17 1 1 A 52 52 ASP CB C 130 41.028 43.471 -2.443 1
1 639 . 17 1 1 A 52 52 ASP N N 130 118.844 123.883 -5.039 1
1 640 . 17 1 1 A 53 53 TYR H H 131 8.732 9.062 -0.330 1
1 641 . 17 1 1 A 53 53 TYR HA H 131 4.410 4.773 -0.363 1
1 648 . 17 1 1 A 53 53 TYR C C 131 174.929 173.721 1.208 1
1 649 . 17 1 1 A 53 53 TYR CA C 131 58.452 56.419 2.033 1
1 650 . 17 1 1 A 53 53 TYR CB C 131 37.536 39.619 -2.083 1
1 655 . 17 1 1 A 53 53 TYR N N 131 121.518 122.849 -1.331 1
1 656 . 17 1 1 A 54 54 ASP H H 132 9.981 8.611 1.370 1
1 657 . 17 1 1 A 54 54 ASP HA H 132 4.652 5.326 -0.674 1
1 660 . 17 1 1 A 54 54 ASP CA C 132 49.843 50.632 -0.789 1
1 661 . 17 1 1 A 54 54 ASP CB C 132 42.737 42.346 0.391 1
1 662 . 17 1 1 A 54 54 ASP N N 132 132.995 128.461 4.534 1
1 663 . 17 1 1 A 55 55 PRO HA H 133 4.117 4.591 -0.474 1
1 670 . 17 1 1 A 55 55 PRO C C 133 178.353 178.373 -0.020 1
1 671 . 17 1 1 A 55 55 PRO CA C 133 64.216 64.897 -0.681 1
1 672 . 17 1 1 A 55 55 PRO CB C 133 32.133 32.162 -0.029 1
1 675 . 17 1 1 A 56 56 GLU H H 134 7.968 9.211 -1.243 1
1 676 . 17 1 1 A 56 56 GLU HA H 134 4.047 4.141 -0.094 1
1 681 . 17 1 1 A 56 56 GLU C C 134 177.001 178.810 -1.809 1
1 682 . 17 1 1 A 56 56 GLU CA C 134 57.984 59.146 -1.162 1
1 683 . 17 1 1 A 56 56 GLU CB C 134 29.667 28.487 1.180 1
1 685 . 17 1 1 A 56 56 GLU N N 134 116.491 117.028 -0.537 1
1 686 . 17 1 1 A 57 57 LEU H H 135 7.137 7.799 -0.662 1
1 687 . 17 1 1 A 57 57 LEU HA H 135 4.186 4.262 -0.076 1
1 697 . 17 1 1 A 57 57 LEU C C 135 177.695 178.180 -0.485 1
1 698 . 17 1 1 A 57 57 LEU CA C 135 55.372 57.404 -2.032 1
1 699 . 17 1 1 A 57 57 LEU CB C 135 43.889 43.019 0.870 1
1 703 . 17 1 1 A 57 57 LEU N N 135 118.254 121.645 -3.391 1
1 704 . 17 1 1 A 58 58 HIS H H 136 8.121 7.839 0.282 1
1 705 . 17 1 1 A 58 58 HIS HA H 136 4.560 4.665 -0.105 1
1 709 . 17 1 1 A 58 58 HIS C C 136 176.135 175.401 0.734 1
1 710 . 17 1 1 A 58 58 HIS CA C 136 56.134 57.845 -1.711 1
1 711 . 17 1 1 A 58 58 HIS CB C 136 31.534 30.924 0.610 1
1 713 . 17 1 1 A 58 58 HIS N N 136 120.254 112.603 7.651 1
1 714 . 17 1 1 A 59 59 GLY H H 137 7.890 7.833 0.057 1
1 715 . 17 1 1 A 59 59 GLY HA2 H 137 4.166 4.169 -0.003 1
1 716 . 17 1 1 A 59 59 GLY HA3 H 137 3.990 4.183 -0.193 1
1 717 . 17 1 1 A 59 59 GLY C C 137 175.021 171.794 3.227 1
1 718 . 17 1 1 A 59 59 GLY CA C 137 45.431 45.820 -0.389 1
1 719 . 17 1 1 A 59 59 GLY N N 137 108.183 103.907 4.276 1
1 720 . 17 1 1 A 60 60 VAL H H 138 8.519 8.397 0.122 1
1 721 . 17 1 1 A 60 60 VAL HA H 138 4.503 4.155 0.348 1
1 729 . 17 1 1 A 60 60 VAL C C 138 176.419 174.370 2.049 1
1 730 . 17 1 1 A 60 60 VAL CA C 138 62.905 59.996 2.909 1
1 731 . 17 1 1 A 60 60 VAL CB C 138 32.421 34.945 -2.524 1
1 734 . 17 1 1 A 60 60 VAL N N 138 116.738 118.837 -2.099 1
1 735 . 17 1 1 A 61 61 ASP H H 139 8.525 8.430 0.095 1
1 736 . 17 1 1 A 61 61 ASP HA H 139 4.959 4.435 0.524 1
1 739 . 17 1 1 A 61 61 ASP C C 139 177.816 176.659 1.157 1
1 740 . 17 1 1 A 61 61 ASP CA C 139 54.278 55.160 -0.882 1
1 741 . 17 1 1 A 61 61 ASP CB C 139 40.771 41.221 -0.450 1
1 742 . 17 1 1 A 61 61 ASP N N 139 120.408 121.503 -1.095 1
1 743 . 17 1 1 A 62 62 TYR H H 140 7.553 7.737 -0.184 1
1 744 . 17 1 1 A 62 62 TYR HA H 140 4.611 4.569 0.042 1
1 751 . 17 1 1 A 62 62 TYR C C 140 176.791 176.428 0.363 1
1 752 . 17 1 1 A 62 62 TYR CA C 140 59.811 58.199 1.612 1
1 753 . 17 1 1 A 62 62 TYR CB C 140 37.453 38.336 -0.883 1
1 758 . 17 1 1 A 62 62 TYR N N 140 118.187 117.390 0.797 1
1 759 . 17 1 1 A 63 63 VAL H H 141 7.645 8.047 -0.402 1
1 760 . 17 1 1 A 63 63 VAL HA H 141 3.861 4.271 -0.410 1
1 768 . 17 1 1 A 63 63 VAL C C 141 176.409 177.775 -1.366 1
1 769 . 17 1 1 A 63 63 VAL CA C 141 63.504 65.527 -2.023 1
1 770 . 17 1 1 A 63 63 VAL CB C 141 31.598 31.444 0.154 1
1 773 . 17 1 1 A 63 63 VAL N N 141 118.945 121.812 -2.867 1
1 774 . 17 1 1 A 64 64 SER H H 142 7.611 8.215 -0.604 1
1 775 . 17 1 1 A 64 64 SER HA H 142 4.234 4.357 -0.123 1
1 778 . 17 1 1 A 64 64 SER C C 142 175.035 174.852 0.183 1
1 779 . 17 1 1 A 64 64 SER CA C 142 60.628 61.122 -0.494 1
1 780 . 17 1 1 A 64 64 SER CB C 142 63.183 63.156 0.027 1
1 781 . 17 1 1 A 64 64 SER N N 142 113.661 117.254 -3.593 1
1 782 . 17 1 1 A 65 65 ASP H H 143 7.440 7.466 -0.026 1
1 783 . 17 1 1 A 65 65 ASP HA H 143 4.568 4.534 0.034 1
1 786 . 17 1 1 A 65 65 ASP C C 143 175.376 176.140 -0.764 1
1 787 . 17 1 1 A 65 65 ASP CA C 143 55.077 55.210 -0.133 1
1 788 . 17 1 1 A 65 65 ASP CB C 143 40.913 41.403 -0.490 1
1 789 . 17 1 1 A 65 65 ASP N N 143 118.332 119.559 -1.227 1
1 790 . 17 1 1 A 66 66 PHE H H 144 8.115 7.671 0.444 1
1 791 . 17 1 1 A 66 66 PHE HA H 144 4.369 4.848 -0.479 1
1 798 . 17 1 1 A 66 66 PHE C C 144 174.524 175.159 -0.635 1
1 799 . 17 1 1 A 66 66 PHE CA C 144 57.705 57.479 0.226 1
1 800 . 17 1 1 A 66 66 PHE CB C 144 41.033 40.190 0.843 1
1 805 . 17 1 1 A 66 66 PHE N N 144 120.277 117.076 3.201 1
1 806 . 17 1 1 A 67 67 LYS H H 145 8.688 8.925 -0.237 1
1 807 . 17 1 1 A 67 67 LYS HA H 145 4.671 4.421 0.250 1
1 816 . 17 1 1 A 67 67 LYS C C 145 175.437 176.371 -0.934 1
1 817 . 17 1 1 A 67 67 LYS CA C 145 55.418 55.954 -0.536 1
1 818 . 17 1 1 A 67 67 LYS CB C 145 31.784 31.651 0.133 1
1 822 . 17 1 1 A 67 67 LYS N N 145 122.931 125.337 -2.406 1
1 823 . 17 1 1 A 68 68 LEU H H 146 9.642 8.619 1.023 1
1 824 . 17 1 1 A 68 68 LEU HA H 146 4.484 4.370 0.114 1
1 834 . 17 1 1 A 68 68 LEU C C 146 175.512 176.448 -0.936 1
1 835 . 17 1 1 A 68 68 LEU CA C 146 54.375 56.060 -1.685 1
1 836 . 17 1 1 A 68 68 LEU CB C 146 44.114 42.722 1.392 1
1 840 . 17 1 1 A 68 68 LEU N N 146 123.156 127.137 -3.981 1
1 841 . 17 1 1 A 69 69 ALA H H 147 7.586 7.570 0.016 1
1 842 . 17 1 1 A 69 69 ALA HA H 147 4.597 4.519 0.078 1
1 846 . 17 1 1 A 69 69 ALA C C 147 173.720 176.792 -3.072 1
1 847 . 17 1 1 A 69 69 ALA CA C 147 49.637 50.635 -0.998 1
1 848 . 17 1 1 A 69 69 ALA CB C 147 22.691 21.327 1.364 1
1 849 . 17 1 1 A 69 69 ALA N N 147 117.486 117.287 0.199 1
1 850 . 17 1 1 A 70 70 PRO HA H 148 4.578 4.398 0.180 1
1 857 . 17 1 1 A 70 70 PRO C C 148 176.996 177.238 -0.242 1
1 858 . 17 1 1 A 70 70 PRO CA C 148 64.435 65.251 -0.816 1
1 859 . 17 1 1 A 70 70 PRO CB C 148 31.448 31.817 -0.369 1
1 862 . 17 1 1 A 71 71 ASN H H 149 8.221 8.097 0.124 1
1 863 . 17 1 1 A 71 71 ASN HA H 149 4.783 4.899 -0.116 1
1 868 . 17 1 1 A 71 71 ASN C C 149 173.865 173.889 -0.024 1
1 869 . 17 1 1 A 71 71 ASN CA C 149 52.308 51.877 0.431 1
1 870 . 17 1 1 A 71 71 ASN CB C 149 38.065 37.612 0.453 1
1 871 . 17 1 1 A 71 71 ASN N N 149 116.940 114.596 2.344 1
1 873 . 17 1 1 A 72 72 GLN H H 150 8.467 8.849 -0.382 1
1 874 . 17 1 1 A 72 72 GLN HA H 150 3.962 4.689 -0.727 1
1 881 . 17 1 1 A 72 72 GLN C C 150 174.832 175.945 -1.113 1
1 882 . 17 1 1 A 72 72 GLN CA C 150 57.793 55.841 1.952 1
1 883 . 17 1 1 A 72 72 GLN CB C 150 29.029 29.610 -0.581 1
1 885 . 17 1 1 A 72 72 GLN N N 150 123.793 126.342 -2.549 1
1 887 . 17 1 1 A 73 73 THR H H 151 7.040 8.583 -1.543 1
1 888 . 17 1 1 A 73 73 THR HA H 151 4.668 4.979 -0.311 1
1 893 . 17 1 1 A 73 73 THR C C 151 175.175 176.031 -0.856 1
1 894 . 17 1 1 A 73 73 THR CA C 151 59.504 59.426 0.078 1
1 895 . 17 1 1 A 73 73 THR CB C 151 72.544 71.873 0.671 1
1 897 . 17 1 1 A 73 73 THR N N 151 115.239 117.766 -2.527 1
1 898 . 17 1 1 A 74 74 LYS H H 152 8.949 9.166 -0.217 1
1 899 . 17 1 1 A 74 74 LYS HA H 152 4.109 3.977 0.132 1
1 908 . 17 1 1 A 74 74 LYS C C 152 178.758 178.718 0.040 1
1 909 . 17 1 1 A 74 74 LYS CA C 152 58.521 60.064 -1.543 1
1 910 . 17 1 1 A 74 74 LYS CB C 152 31.372 32.058 -0.686 1
1 914 . 17 1 1 A 74 74 LYS N N 152 122.065 121.457 0.608 1
1 915 . 17 1 1 A 75 75 GLU H H 153 8.762 7.741 1.021 1
1 916 . 17 1 1 A 75 75 GLU HA H 153 4.098 4.206 -0.108 1
1 921 . 17 1 1 A 75 75 GLU C C 153 179.947 179.211 0.736 1
1 922 . 17 1 1 A 75 75 GLU CA C 153 60.405 58.995 1.410 1
1 923 . 17 1 1 A 75 75 GLU CB C 153 28.999 29.465 -0.466 1
1 925 . 17 1 1 A 75 75 GLU N N 153 118.335 120.417 -2.082 1
1 926 . 17 1 1 A 76 76 LEU H H 154 7.726 7.804 -0.078 1
1 927 . 17 1 1 A 76 76 LEU HA H 154 4.061 3.858 0.203 1
1 937 . 17 1 1 A 76 76 LEU C C 154 178.292 178.737 -0.445 1
1 938 . 17 1 1 A 76 76 LEU CA C 154 58.188 57.900 0.288 1
1 939 . 17 1 1 A 76 76 LEU CB C 154 41.061 41.686 -0.625 1
1 943 . 17 1 1 A 76 76 LEU N N 154 121.434 121.969 -0.535 1
1 944 . 17 1 1 A 77 77 GLU H H 155 8.044 8.528 -0.484 1
1 945 . 17 1 1 A 77 77 GLU HA H 155 3.394 3.967 -0.573 1
1 950 . 17 1 1 A 77 77 GLU C C 155 178.363 179.593 -1.230 1
1 951 . 17 1 1 A 77 77 GLU CA C 155 60.409 59.883 0.526 1
1 952 . 17 1 1 A 77 77 GLU CB C 155 28.697 29.227 -0.530 1
1 954 . 17 1 1 A 77 77 GLU N N 155 118.172 118.565 -0.393 1
1 955 . 17 1 1 A 78 78 GLU H H 156 8.657 8.810 -0.153 1
1 956 . 17 1 1 A 78 78 GLU HA H 156 3.945 4.011 -0.066 1
1 961 . 17 1 1 A 78 78 GLU C C 156 179.197 179.108 0.089 1
1 962 . 17 1 1 A 78 78 GLU CA C 156 59.869 59.397 0.472 1
1 963 . 17 1 1 A 78 78 GLU CB C 156 29.466 29.213 0.253 1
1 965 . 17 1 1 A 78 78 GLU N N 156 117.944 120.299 -2.355 1
1 966 . 17 1 1 A 79 79 LYS H H 157 7.564 7.931 -0.367 1
1 967 . 17 1 1 A 79 79 LYS HA H 157 4.245 4.208 0.037 1
1 976 . 17 1 1 A 79 79 LYS C C 157 178.328 178.745 -0.417 1
1 977 . 17 1 1 A 79 79 LYS CA C 157 57.557 58.656 -1.099 1
1 978 . 17 1 1 A 79 79 LYS CB C 157 30.969 32.266 -1.297 1
1 982 . 17 1 1 A 79 79 LYS N N 157 121.118 121.185 -0.067 1
1 983 . 17 1 1 A 80 80 VAL H H 158 8.412 7.857 0.555 1
1 984 . 17 1 1 A 80 80 VAL HA H 158 3.314 3.941 -0.627 1
1 992 . 17 1 1 A 80 80 VAL C C 158 177.623 178.212 -0.589 1
1 993 . 17 1 1 A 80 80 VAL CA C 158 67.250 66.355 0.895 1
1 994 . 17 1 1 A 80 80 VAL CB C 158 30.867 31.830 -0.963 1
1 997 . 17 1 1 A 80 80 VAL N N 158 119.270 119.626 -0.356 1
1 998 . 17 1 1 A 81 81 MET H H 159 8.212 8.031 0.181 1
1 999 . 17 1 1 A 81 81 MET HA H 159 4.039 4.449 -0.410 1
1 1007 . 17 1 1 A 81 81 MET C C 159 177.305 178.733 -1.428 1
1 1008 . 17 1 1 A 81 81 MET CA C 159 59.998 59.162 0.836 1
1 1009 . 17 1 1 A 81 81 MET CB C 159 33.605 32.983 0.622 1
1 1012 . 17 1 1 A 81 81 MET N N 159 117.924 117.665 0.259 1
1 1013 . 17 1 1 A 82 82 GLU H H 160 7.780 8.363 -0.583 1
1 1014 . 17 1 1 A 82 82 GLU HA H 160 3.768 3.961 -0.193 1
1 1019 . 17 1 1 A 82 82 GLU C C 160 179.468 179.125 0.343 1
1 1020 . 17 1 1 A 82 82 GLU CA C 160 59.555 59.335 0.220 1
1 1021 . 17 1 1 A 82 82 GLU CB C 160 29.831 29.206 0.625 1
1 1023 . 17 1 1 A 82 82 GLU N N 160 119.282 119.468 -0.186 1
1 1024 . 17 1 1 A 83 83 LEU H H 161 7.748 8.126 -0.378 1
1 1025 . 17 1 1 A 83 83 LEU HA H 161 3.756 3.995 -0.239 1
1 1035 . 17 1 1 A 83 83 LEU C C 161 179.113 178.455 0.658 1
1 1036 . 17 1 1 A 83 83 LEU CA C 161 57.246 57.544 -0.298 1
1 1037 . 17 1 1 A 83 83 LEU CB C 161 41.824 41.423 0.401 1
1 1041 . 17 1 1 A 83 83 LEU N N 161 118.542 119.453 -0.911 1
1 1042 . 17 1 1 A 84 84 HIS H H 162 8.842 8.013 0.829 1
1 1043 . 17 1 1 A 84 84 HIS HA H 162 3.986 4.005 -0.019 1
1 1047 . 17 1 1 A 84 84 HIS C C 162 178.286 176.782 1.504 1
1 1048 . 17 1 1 A 84 84 HIS CA C 162 58.407 60.078 -1.671 1
1 1049 . 17 1 1 A 84 84 HIS CB C 162 32.405 29.683 2.722 1
1 1051 . 17 1 1 A 84 84 HIS N N 162 120.325 118.325 2.000 1
1 1052 . 17 1 1 A 85 85 LYS H H 163 7.951 7.714 0.237 1
1 1053 . 17 1 1 A 85 85 LYS HA H 163 3.383 4.104 -0.721 1
1 1062 . 17 1 1 A 85 85 LYS C C 163 177.303 179.572 -2.269 1
1 1063 . 17 1 1 A 85 85 LYS CA C 163 59.730 58.995 0.735 1
1 1064 . 17 1 1 A 85 85 LYS CB C 163 32.489 31.990 0.499 1
1 1068 . 17 1 1 A 85 85 LYS N N 163 116.598 118.985 -2.387 1
1 1069 . 17 1 1 A 86 86 SER H H 164 7.334 7.796 -0.462 1
1 1070 . 17 1 1 A 86 86 SER HA H 164 4.442 4.255 0.187 1
1 1073 . 17 1 1 A 86 86 SER C C 164 175.296 174.493 0.803 1
1 1074 . 17 1 1 A 86 86 SER CA C 164 59.708 60.961 -1.253 1
1 1075 . 17 1 1 A 86 86 SER CB C 164 64.669 62.785 1.884 1
1 1076 . 17 1 1 A 86 86 SER N N 164 113.922 113.139 0.783 1
1 1077 . 17 1 1 A 87 87 TYR H H 165 7.321 6.991 0.330 1
1 1078 . 17 1 1 A 87 87 TYR HA H 165 5.037 4.673 0.364 1
1 1085 . 17 1 1 A 87 87 TYR C C 165 175.143 175.966 -0.823 1
1 1086 . 17 1 1 A 87 87 TYR CA C 165 54.570 58.957 -4.387 1
1 1087 . 17 1 1 A 87 87 TYR CB C 165 36.575 38.542 -1.967 1
1 1092 . 17 1 1 A 87 87 TYR N N 165 123.163 122.664 0.499 1
1 1093 . 17 1 1 A 88 88 ARG H H 166 7.263 8.996 -1.733 1
1 1094 . 17 1 1 A 88 88 ARG HA H 166 4.264 4.421 -0.157 1
1 1102 . 17 1 1 A 88 88 ARG C C 166 177.455 175.967 1.488 1
1 1103 . 17 1 1 A 88 88 ARG CA C 166 58.086 55.772 2.314 1
1 1104 . 17 1 1 A 88 88 ARG CB C 166 30.702 28.967 1.735 1
1 1107 . 17 1 1 A 88 88 ARG N N 166 119.334 126.051 -6.717 1
1 1108 . 17 1 1 A 89 89 SER H H 167 10.206 8.479 1.727 1
1 1109 . 17 1 1 A 89 89 SER HA H 167 4.265 4.140 0.125 1
1 1112 . 17 1 1 A 89 89 SER C C 167 174.371 174.461 -0.090 1
1 1113 . 17 1 1 A 89 89 SER CA C 167 60.818 59.266 1.552 1
1 1114 . 17 1 1 A 89 89 SER CB C 167 62.576 61.724 0.852 1
1 1115 . 17 1 1 A 89 89 SER N N 167 121.486 112.973 8.513 1
1 1116 . 17 1 1 A 90 90 MET H H 168 8.409 8.115 0.294 1
1 1117 . 17 1 1 A 90 90 MET HA H 168 4.531 4.613 -0.082 1
1 1125 . 17 1 1 A 90 90 MET C C 168 177.396 175.903 1.493 1
1 1126 . 17 1 1 A 90 90 MET CA C 168 56.283 55.458 0.825 1
1 1127 . 17 1 1 A 90 90 MET CB C 168 35.048 33.867 1.181 1
1 1130 . 17 1 1 A 90 90 MET N N 168 124.849 122.253 2.596 1
1 1131 . 17 1 1 A 91 91 THR H H 169 8.981 8.729 0.252 1
1 1132 . 17 1 1 A 91 91 THR HA H 169 4.589 4.970 -0.381 1
1 1137 . 17 1 1 A 91 91 THR C C 169 173.532 174.376 -0.844 1
1 1138 . 17 1 1 A 91 91 THR CA C 169 61.052 59.094 1.958 1
1 1139 . 17 1 1 A 91 91 THR CB C 169 68.249 69.721 -1.472 1
1 1141 . 17 1 1 A 91 91 THR N N 169 122.910 113.987 8.923 1
1 1142 . 17 1 1 A 92 92 PRO HA H 170 4.151 4.210 -0.059 1
1 1147 . 17 1 1 A 92 92 PRO C C 170 177.481 178.282 -0.801 1
1 1148 . 17 1 1 A 92 92 PRO CA C 170 66.599 66.040 0.559 1
1 1149 . 17 1 1 A 92 92 PRO CB C 170 31.740 31.459 0.281 1
1 1151 . 17 1 1 A 93 93 ALA H H 171 7.833 8.353 -0.520 1
1 1152 . 17 1 1 A 93 93 ALA HA H 171 4.135 3.985 0.150 1
1 1156 . 17 1 1 A 93 93 ALA C C 171 180.982 180.609 0.373 1
1 1157 . 17 1 1 A 93 93 ALA CA C 171 54.982 55.376 -0.394 1
1 1158 . 17 1 1 A 93 93 ALA CB C 171 18.373 18.527 -0.154 1
1 1159 . 17 1 1 A 93 93 ALA N N 171 115.945 118.231 -2.286 1
1 1160 . 17 1 1 A 94 94 GLN H H 172 7.868 8.220 -0.352 1
1 1161 . 17 1 1 A 94 94 GLN HA H 172 3.911 3.936 -0.025 1
1 1168 . 17 1 1 A 94 94 GLN C C 172 178.279 178.616 -0.337 1
1 1169 . 17 1 1 A 94 94 GLN CA C 172 58.547 58.632 -0.085 1
1 1170 . 17 1 1 A 94 94 GLN CB C 172 28.318 28.278 0.040 1
1 1172 . 17 1 1 A 94 94 GLN N N 172 118.910 117.739 1.171 1
1 1174 . 17 1 1 A 95 95 ALA H H 173 8.459 7.673 0.786 1
1 1175 . 17 1 1 A 95 95 ALA HA H 173 4.066 3.807 0.259 1
1 1179 . 17 1 1 A 95 95 ALA C C 173 179.362 179.412 -0.050 1
1 1180 . 17 1 1 A 95 95 ALA CA C 173 55.413 55.056 0.357 1
1 1181 . 17 1 1 A 95 95 ALA CB C 173 17.730 18.079 -0.349 1
1 1182 . 17 1 1 A 95 95 ALA N N 173 123.672 122.573 1.099 1
1 1183 . 17 1 1 A 96 96 ASP H H 174 8.541 8.386 0.155 1
1 1184 . 17 1 1 A 96 96 ASP HA H 174 4.317 4.338 -0.021 1
1 1187 . 17 1 1 A 96 96 ASP C C 174 178.340 178.668 -0.328 1
1 1188 . 17 1 1 A 96 96 ASP CA C 174 57.230 57.240 -0.010 1
1 1189 . 17 1 1 A 96 96 ASP CB C 174 40.024 40.011 0.013 1
1 1190 . 17 1 1 A 96 96 ASP N N 174 119.397 119.632 -0.235 1
1 1191 . 17 1 1 A 97 97 LEU H H 175 7.798 8.255 -0.457 1
1 1192 . 17 1 1 A 97 97 LEU HA H 175 3.968 4.125 -0.157 1
1 1202 . 17 1 1 A 97 97 LEU C C 175 179.822 178.539 1.283 1
1 1203 . 17 1 1 A 97 97 LEU CA C 175 58.737 57.314 1.423 1
1 1204 . 17 1 1 A 97 97 LEU CB C 175 41.661 41.937 -0.276 1
1 1208 . 17 1 1 A 97 97 LEU N N 175 120.724 120.023 0.701 1
1 1209 . 17 1 1 A 98 98 GLU H H 176 8.172 8.479 -0.307 1
1 1210 . 17 1 1 A 98 98 GLU HA H 176 3.885 3.725 0.160 1
1 1215 . 17 1 1 A 98 98 GLU C C 176 180.447 179.052 1.395 1
1 1216 . 17 1 1 A 98 98 GLU CA C 176 58.870 59.531 -0.661 1
1 1217 . 17 1 1 A 98 98 GLU CB C 176 27.413 28.466 -1.053 1
1 1219 . 17 1 1 A 98 98 GLU N N 176 119.724 119.009 0.715 1
1 1220 . 17 1 1 A 99 99 PHE H H 177 8.542 7.722 0.820 1
1 1221 . 17 1 1 A 99 99 PHE HA H 177 3.819 4.175 -0.356 1
1 1229 . 17 1 1 A 99 99 PHE C C 177 176.805 177.103 -0.298 1
1 1230 . 17 1 1 A 99 99 PHE CA C 177 62.277 61.309 0.968 1
1 1231 . 17 1 1 A 99 99 PHE CB C 177 38.948 39.262 -0.314 1
1 1237 . 17 1 1 A 99 99 PHE N N 177 123.837 121.332 2.505 1
1 1238 . 17 1 1 A 100 100 LEU H H 178 8.532 8.456 0.076 1
1 1239 . 17 1 1 A 100 100 LEU HA H 178 4.028 4.008 0.020 1
1 1249 . 17 1 1 A 100 100 LEU C C 178 179.884 179.544 0.340 1
1 1250 . 17 1 1 A 100 100 LEU CA C 178 58.046 58.130 -0.084 1
1 1251 . 17 1 1 A 100 100 LEU CB C 178 41.419 41.484 -0.065 1
1 1255 . 17 1 1 A 100 100 LEU N N 178 119.496 119.225 0.271 1
1 1256 . 17 1 1 A 101 101 GLU H H 179 8.769 8.539 0.230 1
1 1257 . 17 1 1 A 101 101 GLU HA H 179 4.043 3.982 0.061 1
1 1262 . 17 1 1 A 101 101 GLU C C 179 179.881 178.920 0.961 1
1 1263 . 17 1 1 A 101 101 GLU CA C 179 59.465 59.253 0.212 1
1 1264 . 17 1 1 A 101 101 GLU CB C 179 29.478 29.222 0.256 1
1 1266 . 17 1 1 A 101 101 GLU N N 179 120.825 120.736 0.089 1
1 1267 . 17 1 1 A 102 102 ASN H H 180 7.865 7.703 0.162 1
1 1268 . 17 1 1 A 102 102 ASN HA H 180 4.329 4.397 -0.068 1
1 1273 . 17 1 1 A 102 102 ASN C C 180 176.692 177.467 -0.775 1
1 1274 . 17 1 1 A 102 102 ASN CA C 180 57.537 55.775 1.762 1
1 1275 . 17 1 1 A 102 102 ASN CB C 180 40.085 38.331 1.754 1
1 1276 . 17 1 1 A 102 102 ASN N N 180 116.591 117.498 -0.907 1
1 1278 . 17 1 1 A 103 103 ALA H H 181 8.744 8.356 0.388 1
1 1279 . 17 1 1 A 103 103 ALA HA H 181 4.130 3.930 0.200 1
1 1283 . 17 1 1 A 103 103 ALA C C 181 179.546 179.461 0.085 1
1 1284 . 17 1 1 A 103 103 ALA CA C 181 55.148 54.935 0.213 1
1 1285 . 17 1 1 A 103 103 ALA CB C 181 18.154 18.419 -0.265 1
1 1286 . 17 1 1 A 103 103 ALA N N 181 122.431 122.244 0.187 1
1 1287 . 17 1 1 A 104 104 LYS H H 182 8.493 7.864 0.629 1
1 1288 . 17 1 1 A 104 104 LYS HA H 182 3.786 3.855 -0.069 1
1 1297 . 17 1 1 A 104 104 LYS C C 182 180.012 179.139 0.873 1
1 1298 . 17 1 1 A 104 104 LYS CA C 182 58.547 59.189 -0.642 1
1 1299 . 17 1 1 A 104 104 LYS CB C 182 31.194 31.983 -0.789 1
1 1303 . 17 1 1 A 104 104 LYS N N 182 119.195 117.993 1.202 1
1 1304 . 17 1 1 A 105 105 LYS H H 183 7.661 7.648 0.013 1
1 1305 . 17 1 1 A 105 105 LYS HA H 183 4.111 4.087 0.024 1
1 1314 . 17 1 1 A 105 105 LYS C C 183 178.010 177.717 0.293 1
1 1315 . 17 1 1 A 105 105 LYS CA C 183 58.823 58.538 0.285 1
1 1316 . 17 1 1 A 105 105 LYS CB C 183 32.287 32.564 -0.277 1
1 1320 . 17 1 1 A 105 105 LYS N N 183 120.301 118.757 1.544 1
1 1321 . 17 1 1 A 106 106 LEU H H 184 7.403 7.174 0.229 1
1 1322 . 17 1 1 A 106 106 LEU HA H 184 4.385 4.379 0.006 1
1 1331 . 17 1 1 A 106 106 LEU C C 184 176.332 176.060 0.272 1
1 1332 . 17 1 1 A 106 106 LEU CA C 184 54.857 54.662 0.195 1
1 1333 . 17 1 1 A 106 106 LEU CB C 184 42.054 42.593 -0.539 1
1 1336 . 17 1 1 A 106 106 LEU N N 184 118.606 119.049 -0.443 1
1 1337 . 17 1 1 A 107 107 SER H H 185 8.123 7.814 0.309 1
1 1338 . 17 1 1 A 107 107 SER HA H 185 4.202 4.125 0.077 1
1 1341 . 17 1 1 A 107 107 SER C C 185 174.826 174.074 0.752 1
1 1342 . 17 1 1 A 107 107 SER CA C 185 58.894 59.233 -0.339 1
1 1343 . 17 1 1 A 107 107 SER CB C 185 61.684 61.146 0.538 1
1 1344 . 17 1 1 A 107 107 SER N N 185 113.023 112.832 0.191 1
1 1345 . 17 1 1 A 108 108 MET H H 186 8.212 7.720 0.492 1
1 1346 . 17 1 1 A 108 108 MET HA H 186 4.188 4.233 -0.045 1
1 1354 . 17 1 1 A 108 108 MET C C 186 174.495 176.741 -2.246 1
1 1355 . 17 1 1 A 108 108 MET CA C 186 57.328 58.332 -1.004 1
1 1356 . 17 1 1 A 108 108 MET CB C 186 33.414 32.332 1.082 1
1 1359 . 17 1 1 A 108 108 MET N N 186 117.267 117.996 -0.729 1
1 4 . 18 1 1 A 2 2 SER HA H 80 4.477 4.690 -0.213 1
1 7 . 18 1 1 A 2 2 SER CA C 80 58.344 57.799 0.545 1
1 8 . 18 1 1 A 2 2 SER CB C 80 64.002 64.313 -0.311 1
1 9 . 18 1 1 A 3 3 HIS HA H 81 4.614 4.815 -0.201 1
1 13 . 18 1 1 A 3 3 HIS C C 81 174.681 174.138 0.543 1
1 14 . 18 1 1 A 3 3 HIS CA C 81 56.231 55.032 1.199 1
1 15 . 18 1 1 A 3 3 HIS CB C 81 29.839 29.317 0.522 1
1 17 . 18 1 1 A 4 4 MET H H 82 8.285 7.750 0.535 1
1 18 . 18 1 1 A 4 4 MET HA H 82 4.416 4.632 -0.216 1
1 26 . 18 1 1 A 4 4 MET C C 82 175.286 173.540 1.746 1
1 27 . 18 1 1 A 4 4 MET CA C 82 55.165 54.861 0.304 1
1 28 . 18 1 1 A 4 4 MET CB C 82 32.988 35.609 -2.621 1
1 31 . 18 1 1 A 4 4 MET N N 82 121.559 121.156 0.403 1
1 32 . 18 1 1 A 5 5 ASP H H 83 8.362 8.849 -0.487 1
1 33 . 18 1 1 A 5 5 ASP HA H 83 4.844 5.243 -0.399 1
1 36 . 18 1 1 A 5 5 ASP C C 83 175.239 175.302 -0.063 1
1 37 . 18 1 1 A 5 5 ASP CA C 83 52.238 50.631 1.607 1
1 38 . 18 1 1 A 5 5 ASP CB C 83 41.471 42.313 -0.842 1
1 39 . 18 1 1 A 5 5 ASP N N 83 124.060 126.478 -2.418 1
1 40 . 18 1 1 A 6 6 PRO HA H 84 4.327 4.504 -0.177 1
1 47 . 18 1 1 A 6 6 PRO C C 84 177.388 177.299 0.089 1
1 48 . 18 1 1 A 6 6 PRO CA C 84 64.084 63.925 0.159 1
1 49 . 18 1 1 A 6 6 PRO CB C 84 32.022 31.909 0.113 1
1 52 . 18 1 1 A 7 7 ALA H H 85 8.406 7.969 0.437 1
1 53 . 18 1 1 A 7 7 ALA HA H 85 4.239 4.490 -0.251 1
1 57 . 18 1 1 A 7 7 ALA C C 85 178.462 179.412 -0.950 1
1 58 . 18 1 1 A 7 7 ALA CA C 85 53.223 54.731 -1.508 1
1 59 . 18 1 1 A 7 7 ALA CB C 85 18.801 18.746 0.055 1
1 60 . 18 1 1 A 7 7 ALA N N 85 121.868 120.911 0.957 1
1 61 . 18 1 1 A 8 8 GLN H H 86 7.985 8.062 -0.077 1
1 62 . 18 1 1 A 8 8 GLN HA H 86 4.264 4.112 0.152 1
1 69 . 18 1 1 A 8 8 GLN C C 86 176.124 177.626 -1.502 1
1 70 . 18 1 1 A 8 8 GLN CA C 86 56.101 58.271 -2.170 1
1 71 . 18 1 1 A 8 8 GLN CB C 86 29.456 28.759 0.697 1
1 73 . 18 1 1 A 8 8 GLN N N 86 117.727 118.005 -0.278 1
1 75 . 18 1 1 A 9 9 LEU H H 87 8.102 7.877 0.225 1
1 76 . 18 1 1 A 9 9 LEU HA H 87 4.394 4.340 0.054 1
1 86 . 18 1 1 A 9 9 LEU C C 87 177.923 178.655 -0.732 1
1 87 . 18 1 1 A 9 9 LEU CA C 87 55.454 55.628 -0.174 1
1 88 . 18 1 1 A 9 9 LEU CB C 87 42.188 42.291 -0.103 1
1 92 . 18 1 1 A 9 9 LEU N N 87 122.045 115.094 6.951 1
1 93 . 18 1 1 A 10 10 THR H H 88 7.902 7.788 0.114 1
1 94 . 18 1 1 A 10 10 THR HA H 88 4.258 3.835 0.423 1
1 99 . 18 1 1 A 10 10 THR C C 88 175.742 176.509 -0.767 1
1 100 . 18 1 1 A 10 10 THR CA C 88 62.974 66.957 -3.983 1
1 101 . 18 1 1 A 10 10 THR CB C 88 69.759 68.621 1.138 1
1 103 . 18 1 1 A 10 10 THR N N 88 113.859 115.186 -1.327 1
1 104 . 18 1 1 A 11 11 GLU H H 89 8.594 8.374 0.220 1
1 105 . 18 1 1 A 11 11 GLU HA H 89 4.213 3.938 0.275 1
1 110 . 18 1 1 A 11 11 GLU C C 89 177.577 178.275 -0.698 1
1 111 . 18 1 1 A 11 11 GLU CA C 89 58.496 59.276 -0.780 1
1 112 . 18 1 1 A 11 11 GLU CB C 89 29.751 29.437 0.314 1
1 114 . 18 1 1 A 11 11 GLU N N 89 122.144 121.696 0.448 1
1 115 . 18 1 1 A 12 12 ASP H H 90 8.244 7.877 0.367 1
1 116 . 18 1 1 A 12 12 ASP HA H 90 4.419 4.433 -0.014 1
1 119 . 18 1 1 A 12 12 ASP C C 90 178.623 178.541 0.082 1
1 120 . 18 1 1 A 12 12 ASP CA C 90 56.589 57.519 -0.930 1
1 121 . 18 1 1 A 12 12 ASP CB C 90 40.332 40.923 -0.591 1
1 122 . 18 1 1 A 12 12 ASP N N 90 119.922 120.107 -0.185 1
1 123 . 18 1 1 A 13 13 ILE H H 91 8.092 8.064 0.028 1
1 124 . 18 1 1 A 13 13 ILE HA H 91 3.987 3.747 0.240 1
1 134 . 18 1 1 A 13 13 ILE C C 91 177.124 178.570 -1.446 1
1 135 . 18 1 1 A 13 13 ILE CA C 91 63.562 65.299 -1.737 1
1 136 . 18 1 1 A 13 13 ILE CB C 91 37.830 37.822 0.008 1
1 140 . 18 1 1 A 13 13 ILE N N 91 122.909 119.093 3.816 1
1 141 . 18 1 1 A 14 14 THR H H 92 8.045 8.594 -0.549 1
1 142 . 18 1 1 A 14 14 THR HA H 92 4.040 3.913 0.127 1
1 147 . 18 1 1 A 14 14 THR C C 92 177.358 176.571 0.787 1
1 148 . 18 1 1 A 14 14 THR CA C 92 66.244 65.358 0.886 1
1 149 . 18 1 1 A 14 14 THR CB C 92 68.629 68.736 -0.107 1
1 151 . 18 1 1 A 14 14 THR N N 92 116.529 115.076 1.453 1
1 152 . 18 1 1 A 15 15 ARG H H 93 7.984 8.405 -0.421 1
1 153 . 18 1 1 A 15 15 ARG HA H 93 3.974 4.142 -0.168 1
1 161 . 18 1 1 A 15 15 ARG C C 93 177.719 178.052 -0.333 1
1 162 . 18 1 1 A 15 15 ARG CA C 93 60.312 58.822 1.490 1
1 163 . 18 1 1 A 15 15 ARG CB C 93 30.591 30.082 0.509 1
1 166 . 18 1 1 A 15 15 ARG N N 93 121.521 120.641 0.880 1
1 167 . 18 1 1 A 16 16 TYR H H 94 7.948 8.082 -0.134 1
1 168 . 18 1 1 A 16 16 TYR HA H 94 4.045 4.259 -0.214 1
1 175 . 18 1 1 A 16 16 TYR C C 94 177.690 177.206 0.484 1
1 176 . 18 1 1 A 16 16 TYR CA C 94 61.568 61.467 0.101 1
1 177 . 18 1 1 A 16 16 TYR CB C 94 37.543 38.660 -1.117 1
1 182 . 18 1 1 A 16 16 TYR N N 94 120.911 121.807 -0.896 1
1 183 . 18 1 1 A 17 17 TYR H H 95 8.143 8.239 -0.096 1
1 184 . 18 1 1 A 17 17 TYR HA H 95 4.049 4.014 0.035 1
1 191 . 18 1 1 A 17 17 TYR C C 95 179.000 178.286 0.714 1
1 192 . 18 1 1 A 17 17 TYR CA C 95 61.454 61.181 0.273 1
1 193 . 18 1 1 A 17 17 TYR CB C 95 37.483 37.427 0.056 1
1 198 . 18 1 1 A 17 17 TYR N N 95 117.066 118.255 -1.189 1
1 199 . 18 1 1 A 18 18 LEU H H 96 7.976 8.489 -0.513 1
1 200 . 18 1 1 A 18 18 LEU HA H 96 4.203 4.015 0.188 1
1 210 . 18 1 1 A 18 18 LEU C C 96 178.998 178.271 0.727 1
1 211 . 18 1 1 A 18 18 LEU CA C 96 58.097 57.876 0.221 1
1 212 . 18 1 1 A 18 18 LEU CB C 96 41.814 41.803 0.011 1
1 216 . 18 1 1 A 18 18 LEU N N 96 123.012 121.217 1.795 1
1 217 . 18 1 1 A 19 19 CYS H H 97 8.163 8.069 0.094 1
1 218 . 18 1 1 A 19 19 CYS HA H 97 3.783 4.013 -0.230 1
1 221 . 18 1 1 A 19 19 CYS C C 97 176.663 176.843 -0.180 1
1 222 . 18 1 1 A 19 19 CYS CA C 97 64.973 62.488 2.485 1
1 223 . 18 1 1 A 19 19 CYS CB C 97 25.966 27.196 -1.230 1
1 224 . 18 1 1 A 19 19 CYS N N 97 117.202 118.087 -0.885 1
1 225 . 18 1 1 A 20 20 LEU H H 98 7.863 7.941 -0.078 1
1 226 . 18 1 1 A 20 20 LEU HA H 98 3.681 3.722 -0.041 1
1 236 . 18 1 1 A 20 20 LEU C C 98 179.392 179.356 0.036 1
1 237 . 18 1 1 A 20 20 LEU CA C 98 58.319 58.001 0.318 1
1 238 . 18 1 1 A 20 20 LEU CB C 98 41.944 41.107 0.837 1
1 242 . 18 1 1 A 20 20 LEU N N 98 118.833 121.206 -2.373 1
1 243 . 18 1 1 A 21 21 GLN H H 99 7.658 8.023 -0.365 1
1 244 . 18 1 1 A 21 21 GLN HA H 99 3.909 3.902 0.007 1
1 251 . 18 1 1 A 21 21 GLN C C 99 178.326 178.709 -0.383 1
1 252 . 18 1 1 A 21 21 GLN CA C 99 58.704 59.120 -0.416 1
1 253 . 18 1 1 A 21 21 GLN CB C 99 28.630 28.178 0.452 1
1 255 . 18 1 1 A 21 21 GLN N N 99 118.958 118.274 0.684 1
1 257 . 18 1 1 A 22 22 LEU H H 100 8.214 8.623 -0.409 1
1 258 . 18 1 1 A 22 22 LEU HA H 100 4.150 3.990 0.160 1
1 268 . 18 1 1 A 22 22 LEU C C 100 179.438 179.188 0.250 1
1 269 . 18 1 1 A 22 22 LEU CA C 100 58.320 57.870 0.450 1
1 270 . 18 1 1 A 22 22 LEU CB C 100 42.816 41.822 0.994 1
1 274 . 18 1 1 A 22 22 LEU N N 100 119.829 120.251 -0.422 1
1 275 . 18 1 1 A 23 23 ARG H H 101 8.722 8.515 0.207 1
1 276 . 18 1 1 A 23 23 ARG HA H 101 3.946 3.999 -0.053 1
1 284 . 18 1 1 A 23 23 ARG C C 101 179.448 178.574 0.874 1
1 285 . 18 1 1 A 23 23 ARG CA C 101 60.910 59.222 1.688 1
1 286 . 18 1 1 A 23 23 ARG CB C 101 29.853 29.726 0.127 1
1 288 . 18 1 1 A 23 23 ARG N N 101 117.690 119.202 -1.512 1
1 289 . 18 1 1 A 24 24 GLN H H 102 7.804 7.672 0.132 1
1 290 . 18 1 1 A 24 24 GLN HA H 102 4.015 4.041 -0.026 1
1 297 . 18 1 1 A 24 24 GLN C C 102 178.951 178.601 0.350 1
1 298 . 18 1 1 A 24 24 GLN CA C 102 58.785 58.471 0.314 1
1 299 . 18 1 1 A 24 24 GLN CB C 102 28.263 28.137 0.126 1
1 301 . 18 1 1 A 24 24 GLN N N 102 117.686 118.143 -0.457 1
1 303 . 18 1 1 A 25 25 ASP H H 103 8.393 7.856 0.537 1
1 304 . 18 1 1 A 25 25 ASP HA H 103 4.414 4.497 -0.083 1
1 307 . 18 1 1 A 25 25 ASP C C 103 179.476 178.914 0.562 1
1 308 . 18 1 1 A 25 25 ASP CA C 103 57.753 57.197 0.556 1
1 309 . 18 1 1 A 25 25 ASP CB C 103 40.432 40.944 -0.512 1
1 310 . 18 1 1 A 25 25 ASP N N 103 122.118 120.088 2.030 1
1 311 . 18 1 1 A 26 26 ILE H H 104 8.737 7.733 1.004 1
1 312 . 18 1 1 A 26 26 ILE HA H 104 3.761 3.682 0.079 1
1 320 . 18 1 1 A 26 26 ILE C C 104 180.320 178.113 2.207 1
1 321 . 18 1 1 A 26 26 ILE CA C 104 65.902 64.992 0.910 1
1 322 . 18 1 1 A 26 26 ILE CB C 104 38.826 37.934 0.892 1
1 325 . 18 1 1 A 26 26 ILE N N 104 122.668 120.833 1.835 1
1 326 . 18 1 1 A 27 27 VAL H H 105 7.923 7.877 0.046 1
1 327 . 18 1 1 A 27 27 VAL HA H 105 3.077 3.884 -0.807 1
1 335 . 18 1 1 A 27 27 VAL C C 105 176.073 177.440 -1.367 1
1 336 . 18 1 1 A 27 27 VAL CA C 105 67.080 64.733 2.347 1
1 337 . 18 1 1 A 27 27 VAL CB C 105 31.450 31.599 -0.149 1
1 340 . 18 1 1 A 27 27 VAL N N 105 121.194 116.553 4.641 1
1 341 . 18 1 1 A 28 28 ALA H H 106 7.892 7.191 0.701 1
1 342 . 18 1 1 A 28 28 ALA HA H 106 4.286 4.350 -0.064 1
1 346 . 18 1 1 A 28 28 ALA C C 106 178.366 177.825 0.541 1
1 347 . 18 1 1 A 28 28 ALA CA C 106 52.572 52.066 0.506 1
1 348 . 18 1 1 A 28 28 ALA CB C 106 19.616 19.570 0.046 1
1 349 . 18 1 1 A 28 28 ALA N N 106 117.103 121.636 -4.533 1
1 350 . 18 1 1 A 29 29 GLY H H 107 7.670 8.141 -0.471 1
1 351 . 18 1 1 A 29 29 GLY HA2 H 107 4.181 3.921 0.260 1
1 352 . 18 1 1 A 29 29 GLY HA3 H 107 3.924 3.924 0.000 1
1 353 . 18 1 1 A 29 29 GLY C C 107 174.596 175.014 -0.418 1
1 354 . 18 1 1 A 29 29 GLY CA C 107 45.157 46.603 -1.446 1
1 355 . 18 1 1 A 29 29 GLY N N 107 105.038 107.326 -2.288 1
1 356 . 18 1 1 A 30 30 ARG H H 108 7.972 8.281 -0.309 1
1 357 . 18 1 1 A 30 30 ARG HA H 108 4.185 4.406 -0.221 1
1 365 . 18 1 1 A 30 30 ARG C C 108 175.874 175.421 0.453 1
1 366 . 18 1 1 A 30 30 ARG CA C 108 57.987 56.867 1.120 1
1 367 . 18 1 1 A 30 30 ARG CB C 108 31.218 31.090 0.128 1
1 370 . 18 1 1 A 30 30 ARG N N 108 118.333 121.265 -2.932 1
1 371 . 18 1 1 A 31 31 LEU H H 109 6.696 7.504 -0.808 1
1 372 . 18 1 1 A 31 31 LEU HA H 109 4.939 4.803 0.136 1
1 382 . 18 1 1 A 31 31 LEU C C 109 173.324 173.837 -0.513 1
1 383 . 18 1 1 A 31 31 LEU CA C 109 50.930 51.470 -0.540 1
1 384 . 18 1 1 A 31 31 LEU CB C 109 43.480 45.571 -2.091 1
1 388 . 18 1 1 A 31 31 LEU N N 109 118.681 120.242 -1.561 1
1 389 . 18 1 1 A 32 32 PRO HA H 110 4.411 4.781 -0.370 1
1 396 . 18 1 1 A 32 32 PRO C C 110 176.694 176.089 0.605 1
1 397 . 18 1 1 A 32 32 PRO CA C 110 63.123 62.812 0.311 1
1 398 . 18 1 1 A 32 32 PRO CB C 110 32.022 31.771 0.251 1
1 401 . 18 1 1 A 33 33 CYS H H 111 8.273 8.528 -0.255 1
1 402 . 18 1 1 A 33 33 CYS HA H 111 4.834 5.061 -0.227 1
1 405 . 18 1 1 A 33 33 CYS C C 111 173.523 172.539 0.984 1
1 406 . 18 1 1 A 33 33 CYS CA C 111 57.890 57.930 -0.040 1
1 407 . 18 1 1 A 33 33 CYS CB C 111 32.282 32.858 -0.576 1
1 408 . 18 1 1 A 33 33 CYS N N 111 119.113 122.328 -3.215 1
1 409 . 18 1 1 A 34 34 SER H H 112 8.738 8.754 -0.016 1
1 410 . 18 1 1 A 34 34 SER HA H 112 4.527 4.948 -0.421 1
1 413 . 18 1 1 A 34 34 SER C C 112 173.709 175.218 -1.509 1
1 414 . 18 1 1 A 34 34 SER CA C 112 57.256 56.097 1.159 1
1 415 . 18 1 1 A 34 34 SER CB C 112 65.433 65.495 -0.062 1
1 416 . 18 1 1 A 34 34 SER N N 112 118.212 117.605 0.607 1
1 417 . 18 1 1 A 35 35 PHE H H 113 9.027 9.347 -0.320 1
1 418 . 18 1 1 A 35 35 PHE HA H 113 4.047 4.071 -0.024 1
1 426 . 18 1 1 A 35 35 PHE C C 113 176.433 177.136 -0.703 1
1 427 . 18 1 1 A 35 35 PHE CA C 113 62.623 62.730 -0.107 1
1 428 . 18 1 1 A 35 35 PHE CB C 113 39.128 39.711 -0.583 1
1 434 . 18 1 1 A 35 35 PHE N N 113 122.209 126.536 -4.327 1
1 435 . 18 1 1 A 36 36 ALA H H 114 8.631 8.344 0.287 1
1 436 . 18 1 1 A 36 36 ALA HA H 114 3.926 4.080 -0.154 1
1 440 . 18 1 1 A 36 36 ALA C C 114 181.064 179.926 1.138 1
1 441 . 18 1 1 A 36 36 ALA CA C 114 55.300 55.252 0.048 1
1 442 . 18 1 1 A 36 36 ALA CB C 114 18.423 18.518 -0.095 1
1 443 . 18 1 1 A 36 36 ALA N N 114 118.977 121.255 -2.278 1
1 444 . 18 1 1 A 37 37 THR H H 115 7.886 8.055 -0.169 1
1 445 . 18 1 1 A 37 37 THR HA H 115 3.859 3.924 -0.065 1
1 450 . 18 1 1 A 37 37 THR C C 115 175.630 176.356 -0.726 1
1 451 . 18 1 1 A 37 37 THR CA C 115 66.294 67.143 -0.849 1
1 452 . 18 1 1 A 37 37 THR CB C 115 68.298 68.039 0.259 1
1 454 . 18 1 1 A 37 37 THR N N 115 117.602 115.198 2.404 1
1 455 . 18 1 1 A 38 38 LEU H H 116 8.740 8.278 0.462 1
1 456 . 18 1 1 A 38 38 LEU HA H 116 3.904 3.877 0.027 1
1 466 . 18 1 1 A 38 38 LEU C C 116 180.666 179.256 1.410 1
1 467 . 18 1 1 A 38 38 LEU CA C 116 58.166 57.973 0.193 1
1 468 . 18 1 1 A 38 38 LEU CB C 116 43.034 41.633 1.401 1
1 472 . 18 1 1 A 38 38 LEU N N 116 122.945 121.320 1.625 1
1 473 . 18 1 1 A 39 39 ALA H H 117 8.151 8.275 -0.124 1
1 474 . 18 1 1 A 39 39 ALA HA H 117 3.776 3.877 -0.101 1
1 478 . 18 1 1 A 39 39 ALA C C 117 178.461 179.822 -1.361 1
1 479 . 18 1 1 A 39 39 ALA CA C 117 53.839 55.006 -1.167 1
1 480 . 18 1 1 A 39 39 ALA CB C 117 17.406 18.097 -0.691 1
1 481 . 18 1 1 A 39 39 ALA N N 117 120.752 121.399 -0.647 1
1 482 . 18 1 1 A 40 40 LEU H H 118 7.801 8.126 -0.325 1
1 483 . 18 1 1 A 40 40 LEU HA H 118 3.892 3.959 -0.067 1
1 492 . 18 1 1 A 40 40 LEU C C 118 180.428 178.605 1.823 1
1 493 . 18 1 1 A 40 40 LEU CA C 118 57.978 57.855 0.123 1
1 494 . 18 1 1 A 40 40 LEU CB C 118 42.699 41.909 0.790 1
1 497 . 18 1 1 A 40 40 LEU N N 118 119.699 120.016 -0.317 1
1 498 . 18 1 1 A 41 41 LEU H H 119 9.153 8.838 0.315 1
1 499 . 18 1 1 A 41 41 LEU HA H 119 4.181 4.379 -0.198 1
1 509 . 18 1 1 A 41 41 LEU C C 119 179.132 179.324 -0.192 1
1 510 . 18 1 1 A 41 41 LEU CA C 119 58.696 58.314 0.382 1
1 511 . 18 1 1 A 41 41 LEU CB C 119 39.102 41.804 -2.702 1
1 515 . 18 1 1 A 41 41 LEU N N 119 118.687 119.317 -0.630 1
1 516 . 18 1 1 A 42 42 GLY H H 120 8.253 8.115 0.138 1
1 517 . 18 1 1 A 42 42 GLY HA2 H 120 4.016 3.726 0.290 1
1 518 . 18 1 1 A 42 42 GLY HA3 H 120 3.610 3.746 -0.136 1
1 519 . 18 1 1 A 42 42 GLY C C 120 175.046 176.462 -1.416 1
1 520 . 18 1 1 A 42 42 GLY CA C 120 48.060 47.432 0.628 1
1 521 . 18 1 1 A 42 42 GLY N N 120 106.562 106.920 -0.358 1
1 522 . 18 1 1 A 43 43 SER H H 121 8.456 8.256 0.200 1
1 523 . 18 1 1 A 43 43 SER HA H 121 3.928 4.120 -0.192 1
1 526 . 18 1 1 A 43 43 SER C C 121 175.318 176.284 -0.966 1
1 527 . 18 1 1 A 43 43 SER CA C 121 62.651 62.921 -0.270 1
1 528 . 18 1 1 A 43 43 SER CB C 121 62.722 63.295 -0.573 1
1 529 . 18 1 1 A 43 43 SER N N 121 117.787 118.669 -0.882 1
1 530 . 18 1 1 A 44 44 TYR H H 122 7.311 7.588 -0.277 1
1 531 . 18 1 1 A 44 44 TYR HA H 122 4.635 4.314 0.321 1
1 538 . 18 1 1 A 44 44 TYR C C 122 178.731 178.214 0.517 1
1 539 . 18 1 1 A 44 44 TYR CA C 122 61.704 60.675 1.029 1
1 540 . 18 1 1 A 44 44 TYR CB C 122 38.809 38.124 0.685 1
1 545 . 18 1 1 A 44 44 TYR N N 122 123.923 120.455 3.468 1
1 546 . 18 1 1 A 45 45 THR H H 123 8.748 8.168 0.580 1
1 547 . 18 1 1 A 45 45 THR HA H 123 3.747 4.038 -0.291 1
1 552 . 18 1 1 A 45 45 THR C C 123 175.781 176.548 -0.767 1
1 553 . 18 1 1 A 45 45 THR CA C 123 67.015 67.323 -0.308 1
1 554 . 18 1 1 A 45 45 THR CB C 123 67.670 67.956 -0.286 1
1 556 . 18 1 1 A 45 45 THR N N 123 121.374 115.183 6.191 1
1 557 . 18 1 1 A 46 46 ILE H H 124 8.131 8.136 -0.005 1
1 558 . 18 1 1 A 46 46 ILE HA H 124 3.161 2.945 0.216 1
1 568 . 18 1 1 A 46 46 ILE C C 124 177.130 177.961 -0.831 1
1 569 . 18 1 1 A 46 46 ILE CA C 124 62.478 65.461 -2.983 1
1 570 . 18 1 1 A 46 46 ILE CB C 124 35.268 37.927 -2.659 1
1 574 . 18 1 1 A 46 46 ILE N N 124 119.593 121.567 -1.974 1
1 575 . 18 1 1 A 47 47 GLN H H 125 7.871 8.009 -0.138 1
1 576 . 18 1 1 A 47 47 GLN HA H 125 4.110 3.909 0.201 1
1 583 . 18 1 1 A 47 47 GLN C C 125 178.150 177.885 0.265 1
1 584 . 18 1 1 A 47 47 GLN CA C 125 58.333 58.426 -0.093 1
1 585 . 18 1 1 A 47 47 GLN CB C 125 27.448 28.044 -0.596 1
1 587 . 18 1 1 A 47 47 GLN N N 125 121.155 120.410 0.745 1
1 589 . 18 1 1 A 48 48 SER H H 126 8.194 8.289 -0.095 1
1 590 . 18 1 1 A 48 48 SER HA H 126 4.055 4.231 -0.176 1
1 593 . 18 1 1 A 48 48 SER C C 126 176.209 177.271 -1.062 1
1 594 . 18 1 1 A 48 48 SER CA C 126 60.823 60.927 -0.104 1
1 595 . 18 1 1 A 48 48 SER CB C 126 63.592 62.607 0.985 1
1 596 . 18 1 1 A 48 48 SER N N 126 111.964 115.755 -3.791 1
1 597 . 18 1 1 A 49 49 GLU H H 127 8.009 8.022 -0.013 1
1 598 . 18 1 1 A 49 49 GLU HA H 127 4.296 4.233 0.063 1
1 603 . 18 1 1 A 49 49 GLU C C 127 178.319 178.195 0.124 1
1 604 . 18 1 1 A 49 49 GLU CA C 127 58.376 58.618 -0.242 1
1 605 . 18 1 1 A 49 49 GLU CB C 127 30.928 30.180 0.748 1
1 607 . 18 1 1 A 49 49 GLU N N 127 116.052 121.522 -5.470 1
1 608 . 18 1 1 A 50 50 LEU H H 128 8.916 8.388 0.528 1
1 609 . 18 1 1 A 50 50 LEU HA H 128 4.549 4.530 0.019 1
1 619 . 18 1 1 A 50 50 LEU C C 128 178.447 177.410 1.037 1
1 620 . 18 1 1 A 50 50 LEU CA C 128 55.159 54.700 0.459 1
1 621 . 18 1 1 A 50 50 LEU CB C 128 43.500 42.510 0.990 1
1 625 . 18 1 1 A 50 50 LEU N N 128 117.044 116.885 0.159 1
1 626 . 18 1 1 A 51 51 GLY H H 129 7.710 8.101 -0.391 1
1 627 . 18 1 1 A 51 51 GLY HA2 H 129 4.261 3.965 0.296 1
1 628 . 18 1 1 A 51 51 GLY HA3 H 129 3.994 3.987 0.007 1
1 629 . 18 1 1 A 51 51 GLY C C 129 172.406 173.639 -1.233 1
1 630 . 18 1 1 A 51 51 GLY CA C 129 44.162 47.088 -2.926 1
1 631 . 18 1 1 A 51 51 GLY N N 129 109.110 106.360 2.750 1
1 632 . 18 1 1 A 52 52 ASP H H 130 8.131 8.434 -0.303 1
1 633 . 18 1 1 A 52 52 ASP HA H 130 4.577 5.313 -0.736 1
1 636 . 18 1 1 A 52 52 ASP C C 130 176.862 174.554 2.308 1
1 637 . 18 1 1 A 52 52 ASP CA C 130 54.581 52.878 1.703 1
1 638 . 18 1 1 A 52 52 ASP CB C 130 41.028 43.258 -2.230 1
1 639 . 18 1 1 A 52 52 ASP N N 130 118.844 125.456 -6.612 1
1 640 . 18 1 1 A 53 53 TYR H H 131 8.732 9.088 -0.356 1
1 641 . 18 1 1 A 53 53 TYR HA H 131 4.410 4.657 -0.247 1
1 648 . 18 1 1 A 53 53 TYR C C 131 174.929 174.034 0.895 1
1 649 . 18 1 1 A 53 53 TYR CA C 131 58.452 57.428 1.024 1
1 650 . 18 1 1 A 53 53 TYR CB C 131 37.536 38.604 -1.068 1
1 655 . 18 1 1 A 53 53 TYR N N 131 121.518 122.235 -0.717 1
1 656 . 18 1 1 A 54 54 ASP H H 132 9.981 8.310 1.671 1
1 657 . 18 1 1 A 54 54 ASP HA H 132 4.652 5.318 -0.666 1
1 660 . 18 1 1 A 54 54 ASP CA C 132 49.843 51.647 -1.804 1
1 661 . 18 1 1 A 54 54 ASP CB C 132 42.737 42.214 0.523 1
1 662 . 18 1 1 A 54 54 ASP N N 132 132.995 127.470 5.525 1
1 663 . 18 1 1 A 55 55 PRO HA H 133 4.117 4.731 -0.614 1
1 670 . 18 1 1 A 55 55 PRO C C 133 178.353 177.025 1.328 1
1 671 . 18 1 1 A 55 55 PRO CA C 133 64.216 63.918 0.298 1
1 672 . 18 1 1 A 55 55 PRO CB C 133 32.133 32.223 -0.090 1
1 675 . 18 1 1 A 56 56 GLU H H 134 7.968 8.858 -0.890 1
1 676 . 18 1 1 A 56 56 GLU HA H 134 4.047 4.099 -0.052 1
1 681 . 18 1 1 A 56 56 GLU C C 134 177.001 178.736 -1.735 1
1 682 . 18 1 1 A 56 56 GLU CA C 134 57.984 58.916 -0.932 1
1 683 . 18 1 1 A 56 56 GLU CB C 134 29.667 28.896 0.771 1
1 685 . 18 1 1 A 56 56 GLU N N 134 116.491 117.653 -1.162 1
1 686 . 18 1 1 A 57 57 LEU H H 135 7.137 7.595 -0.458 1
1 687 . 18 1 1 A 57 57 LEU HA H 135 4.186 4.204 -0.018 1
1 697 . 18 1 1 A 57 57 LEU C C 135 177.695 176.651 1.044 1
1 698 . 18 1 1 A 57 57 LEU CA C 135 55.372 56.157 -0.785 1
1 699 . 18 1 1 A 57 57 LEU CB C 135 43.889 43.865 0.024 1
1 703 . 18 1 1 A 57 57 LEU N N 135 118.254 118.763 -0.509 1
1 704 . 18 1 1 A 58 58 HIS H H 136 8.121 7.406 0.715 1
1 705 . 18 1 1 A 58 58 HIS HA H 136 4.560 5.181 -0.621 1
1 709 . 18 1 1 A 58 58 HIS C C 136 176.135 174.288 1.847 1
1 710 . 18 1 1 A 58 58 HIS CA C 136 56.134 54.117 2.017 1
1 711 . 18 1 1 A 58 58 HIS CB C 136 31.534 33.869 -2.335 1
1 713 . 18 1 1 A 58 58 HIS N N 136 120.254 114.067 6.187 1
1 714 . 18 1 1 A 59 59 GLY H H 137 7.890 8.540 -0.650 1
1 715 . 18 1 1 A 59 59 GLY HA2 H 137 4.166 3.795 0.371 1
1 716 . 18 1 1 A 59 59 GLY HA3 H 137 3.990 3.991 -0.001 1
1 717 . 18 1 1 A 59 59 GLY C C 137 175.021 173.345 1.676 1
1 718 . 18 1 1 A 59 59 GLY CA C 137 45.431 45.753 -0.322 1
1 719 . 18 1 1 A 59 59 GLY N N 137 108.183 108.075 0.108 1
1 720 . 18 1 1 A 60 60 VAL H H 138 8.519 8.893 -0.374 1
1 721 . 18 1 1 A 60 60 VAL HA H 138 4.503 3.770 0.733 1
1 729 . 18 1 1 A 60 60 VAL C C 138 176.419 174.776 1.643 1
1 730 . 18 1 1 A 60 60 VAL CA C 138 62.905 63.171 -0.266 1
1 731 . 18 1 1 A 60 60 VAL CB C 138 32.421 30.483 1.938 1
1 734 . 18 1 1 A 60 60 VAL N N 138 116.738 124.663 -7.925 1
1 735 . 18 1 1 A 61 61 ASP H H 139 8.525 8.044 0.481 1
1 736 . 18 1 1 A 61 61 ASP HA H 139 4.959 4.297 0.662 1
1 739 . 18 1 1 A 61 61 ASP C C 139 177.816 176.386 1.430 1
1 740 . 18 1 1 A 61 61 ASP CA C 139 54.278 55.736 -1.458 1
1 741 . 18 1 1 A 61 61 ASP CB C 139 40.771 39.388 1.383 1
1 742 . 18 1 1 A 61 61 ASP N N 139 120.408 123.647 -3.239 1
1 743 . 18 1 1 A 62 62 TYR H H 140 7.553 8.420 -0.867 1
1 744 . 18 1 1 A 62 62 TYR HA H 140 4.611 4.528 0.083 1
1 751 . 18 1 1 A 62 62 TYR C C 140 176.791 176.320 0.471 1
1 752 . 18 1 1 A 62 62 TYR CA C 140 59.811 58.638 1.173 1
1 753 . 18 1 1 A 62 62 TYR CB C 140 37.453 37.349 0.104 1
1 758 . 18 1 1 A 62 62 TYR N N 140 118.187 117.818 0.369 1
1 759 . 18 1 1 A 63 63 VAL H H 141 7.645 8.156 -0.511 1
1 760 . 18 1 1 A 63 63 VAL HA H 141 3.861 4.241 -0.380 1
1 768 . 18 1 1 A 63 63 VAL C C 141 176.409 176.916 -0.507 1
1 769 . 18 1 1 A 63 63 VAL CA C 141 63.504 63.840 -0.336 1
1 770 . 18 1 1 A 63 63 VAL CB C 141 31.598 31.557 0.041 1
1 773 . 18 1 1 A 63 63 VAL N N 141 118.945 121.016 -2.071 1
1 774 . 18 1 1 A 64 64 SER H H 142 7.611 7.798 -0.187 1
1 775 . 18 1 1 A 64 64 SER HA H 142 4.234 4.276 -0.042 1
1 778 . 18 1 1 A 64 64 SER C C 142 175.035 176.555 -1.520 1
1 779 . 18 1 1 A 64 64 SER CA C 142 60.628 61.083 -0.455 1
1 780 . 18 1 1 A 64 64 SER CB C 142 63.183 62.948 0.235 1
1 781 . 18 1 1 A 64 64 SER N N 142 113.661 117.764 -4.103 1
1 782 . 18 1 1 A 65 65 ASP H H 143 7.440 7.920 -0.480 1
1 783 . 18 1 1 A 65 65 ASP HA H 143 4.568 4.378 0.190 1
1 786 . 18 1 1 A 65 65 ASP C C 143 175.376 175.623 -0.247 1
1 787 . 18 1 1 A 65 65 ASP CA C 143 55.077 55.515 -0.438 1
1 788 . 18 1 1 A 65 65 ASP CB C 143 40.913 41.605 -0.692 1
1 789 . 18 1 1 A 65 65 ASP N N 143 118.332 120.132 -1.800 1
1 790 . 18 1 1 A 66 66 PHE H H 144 8.115 7.750 0.365 1
1 791 . 18 1 1 A 66 66 PHE HA H 144 4.369 4.887 -0.518 1
1 798 . 18 1 1 A 66 66 PHE C C 144 174.524 175.040 -0.516 1
1 799 . 18 1 1 A 66 66 PHE CA C 144 57.705 56.904 0.801 1
1 800 . 18 1 1 A 66 66 PHE CB C 144 41.033 40.267 0.766 1
1 805 . 18 1 1 A 66 66 PHE N N 144 120.277 117.039 3.238 1
1 806 . 18 1 1 A 67 67 LYS H H 145 8.688 8.891 -0.203 1
1 807 . 18 1 1 A 67 67 LYS HA H 145 4.671 4.462 0.209 1
1 816 . 18 1 1 A 67 67 LYS C C 145 175.437 176.347 -0.910 1
1 817 . 18 1 1 A 67 67 LYS CA C 145 55.418 56.074 -0.656 1
1 818 . 18 1 1 A 67 67 LYS CB C 145 31.784 31.823 -0.039 1
1 822 . 18 1 1 A 67 67 LYS N N 145 122.931 125.460 -2.529 1
1 823 . 18 1 1 A 68 68 LEU H H 146 9.642 8.523 1.119 1
1 824 . 18 1 1 A 68 68 LEU HA H 146 4.484 4.397 0.087 1
1 834 . 18 1 1 A 68 68 LEU C C 146 175.512 176.583 -1.071 1
1 835 . 18 1 1 A 68 68 LEU CA C 146 54.375 55.935 -1.560 1
1 836 . 18 1 1 A 68 68 LEU CB C 146 44.114 42.564 1.550 1
1 840 . 18 1 1 A 68 68 LEU N N 146 123.156 126.606 -3.450 1
1 841 . 18 1 1 A 69 69 ALA H H 147 7.586 7.525 0.061 1
1 842 . 18 1 1 A 69 69 ALA HA H 147 4.597 4.603 -0.006 1
1 846 . 18 1 1 A 69 69 ALA C C 147 173.720 176.822 -3.102 1
1 847 . 18 1 1 A 69 69 ALA CA C 147 49.637 50.597 -0.960 1
1 848 . 18 1 1 A 69 69 ALA CB C 147 22.691 21.643 1.048 1
1 849 . 18 1 1 A 69 69 ALA N N 147 117.486 117.596 -0.110 1
1 850 . 18 1 1 A 70 70 PRO HA H 148 4.578 4.418 0.160 1
1 857 . 18 1 1 A 70 70 PRO C C 148 176.996 176.725 0.271 1
1 858 . 18 1 1 A 70 70 PRO CA C 148 64.435 64.646 -0.211 1
1 859 . 18 1 1 A 70 70 PRO CB C 148 31.448 32.130 -0.682 1
1 862 . 18 1 1 A 71 71 ASN H H 149 8.221 8.294 -0.073 1
1 863 . 18 1 1 A 71 71 ASN HA H 149 4.783 5.012 -0.229 1
1 868 . 18 1 1 A 71 71 ASN C C 149 173.865 174.242 -0.377 1
1 869 . 18 1 1 A 71 71 ASN CA C 149 52.308 52.308 0.000 1
1 870 . 18 1 1 A 71 71 ASN CB C 149 38.065 39.048 -0.983 1
1 871 . 18 1 1 A 71 71 ASN N N 149 116.940 115.801 1.139 1
1 873 . 18 1 1 A 72 72 GLN H H 150 8.467 8.603 -0.136 1
1 874 . 18 1 1 A 72 72 GLN HA H 150 3.962 4.536 -0.574 1
1 881 . 18 1 1 A 72 72 GLN C C 150 174.832 174.555 0.277 1
1 882 . 18 1 1 A 72 72 GLN CA C 150 57.793 56.232 1.561 1
1 883 . 18 1 1 A 72 72 GLN CB C 150 29.029 29.407 -0.378 1
1 885 . 18 1 1 A 72 72 GLN N N 150 123.793 122.621 1.172 1
1 887 . 18 1 1 A 73 73 THR H H 151 7.040 8.341 -1.301 1
1 888 . 18 1 1 A 73 73 THR HA H 151 4.668 4.887 -0.219 1
1 893 . 18 1 1 A 73 73 THR C C 151 175.175 175.274 -0.099 1
1 894 . 18 1 1 A 73 73 THR CA C 151 59.504 59.648 -0.144 1
1 895 . 18 1 1 A 73 73 THR CB C 151 72.544 71.158 1.386 1
1 897 . 18 1 1 A 73 73 THR N N 151 115.239 121.395 -6.156 1
1 898 . 18 1 1 A 74 74 LYS H H 152 8.949 9.141 -0.192 1
1 899 . 18 1 1 A 74 74 LYS HA H 152 4.109 3.999 0.110 1
1 908 . 18 1 1 A 74 74 LYS C C 152 178.758 178.620 0.138 1
1 909 . 18 1 1 A 74 74 LYS CA C 152 58.521 60.380 -1.859 1
1 910 . 18 1 1 A 74 74 LYS CB C 152 31.372 32.041 -0.669 1
1 914 . 18 1 1 A 74 74 LYS N N 152 122.065 127.306 -5.241 1
1 915 . 18 1 1 A 75 75 GLU H H 153 8.762 8.422 0.340 1
1 916 . 18 1 1 A 75 75 GLU HA H 153 4.098 4.121 -0.023 1
1 921 . 18 1 1 A 75 75 GLU C C 153 179.947 179.483 0.464 1
1 922 . 18 1 1 A 75 75 GLU CA C 153 60.405 59.357 1.048 1
1 923 . 18 1 1 A 75 75 GLU CB C 153 28.999 29.360 -0.361 1
1 925 . 18 1 1 A 75 75 GLU N N 153 118.335 120.534 -2.199 1
1 926 . 18 1 1 A 76 76 LEU H H 154 7.726 8.318 -0.592 1
1 927 . 18 1 1 A 76 76 LEU HA H 154 4.061 3.827 0.234 1
1 937 . 18 1 1 A 76 76 LEU C C 154 178.292 178.686 -0.394 1
1 938 . 18 1 1 A 76 76 LEU CA C 154 58.188 57.732 0.456 1
1 939 . 18 1 1 A 76 76 LEU CB C 154 41.061 41.541 -0.480 1
1 943 . 18 1 1 A 76 76 LEU N N 154 121.434 121.763 -0.329 1
1 944 . 18 1 1 A 77 77 GLU H H 155 8.044 8.572 -0.528 1
1 945 . 18 1 1 A 77 77 GLU HA H 155 3.394 3.963 -0.569 1
1 950 . 18 1 1 A 77 77 GLU C C 155 178.363 179.568 -1.205 1
1 951 . 18 1 1 A 77 77 GLU CA C 155 60.409 59.987 0.422 1
1 952 . 18 1 1 A 77 77 GLU CB C 155 28.697 29.248 -0.551 1
1 954 . 18 1 1 A 77 77 GLU N N 155 118.172 118.851 -0.679 1
1 955 . 18 1 1 A 78 78 GLU H H 156 8.657 8.805 -0.148 1
1 956 . 18 1 1 A 78 78 GLU HA H 156 3.945 4.044 -0.099 1
1 961 . 18 1 1 A 78 78 GLU C C 156 179.197 178.971 0.226 1
1 962 . 18 1 1 A 78 78 GLU CA C 156 59.869 59.323 0.546 1
1 963 . 18 1 1 A 78 78 GLU CB C 156 29.466 29.173 0.293 1
1 965 . 18 1 1 A 78 78 GLU N N 156 117.944 120.193 -2.249 1
1 966 . 18 1 1 A 79 79 LYS H H 157 7.564 7.821 -0.257 1
1 967 . 18 1 1 A 79 79 LYS HA H 157 4.245 4.212 0.033 1
1 976 . 18 1 1 A 79 79 LYS C C 157 178.328 178.811 -0.483 1
1 977 . 18 1 1 A 79 79 LYS CA C 157 57.557 58.607 -1.050 1
1 978 . 18 1 1 A 79 79 LYS CB C 157 30.969 32.300 -1.331 1
1 982 . 18 1 1 A 79 79 LYS N N 157 121.118 121.109 0.009 1
1 983 . 18 1 1 A 80 80 VAL H H 158 8.412 7.770 0.642 1
1 984 . 18 1 1 A 80 80 VAL HA H 158 3.314 3.924 -0.610 1
1 992 . 18 1 1 A 80 80 VAL C C 158 177.623 178.112 -0.489 1
1 993 . 18 1 1 A 80 80 VAL CA C 158 67.250 66.324 0.926 1
1 994 . 18 1 1 A 80 80 VAL CB C 158 30.867 31.879 -1.012 1
1 997 . 18 1 1 A 80 80 VAL N N 158 119.270 119.632 -0.362 1
1 998 . 18 1 1 A 81 81 MET H H 159 8.212 7.997 0.215 1
1 999 . 18 1 1 A 81 81 MET HA H 159 4.039 4.308 -0.269 1
1 1007 . 18 1 1 A 81 81 MET C C 159 177.305 178.891 -1.586 1
1 1008 . 18 1 1 A 81 81 MET CA C 159 59.998 59.258 0.740 1
1 1009 . 18 1 1 A 81 81 MET CB C 159 33.605 33.185 0.420 1
1 1012 . 18 1 1 A 81 81 MET N N 159 117.924 117.641 0.283 1
1 1013 . 18 1 1 A 82 82 GLU H H 160 7.780 8.511 -0.731 1
1 1014 . 18 1 1 A 82 82 GLU HA H 160 3.768 4.011 -0.243 1
1 1019 . 18 1 1 A 82 82 GLU C C 160 179.468 178.975 0.493 1
1 1020 . 18 1 1 A 82 82 GLU CA C 160 59.555 59.290 0.265 1
1 1021 . 18 1 1 A 82 82 GLU CB C 160 29.831 29.418 0.413 1
1 1023 . 18 1 1 A 82 82 GLU N N 160 119.282 120.246 -0.964 1
1 1024 . 18 1 1 A 83 83 LEU H H 161 7.748 8.130 -0.382 1
1 1025 . 18 1 1 A 83 83 LEU HA H 161 3.756 3.777 -0.021 1
1 1035 . 18 1 1 A 83 83 LEU C C 161 179.113 179.028 0.085 1
1 1036 . 18 1 1 A 83 83 LEU CA C 161 57.246 57.559 -0.313 1
1 1037 . 18 1 1 A 83 83 LEU CB C 161 41.824 41.560 0.264 1
1 1041 . 18 1 1 A 83 83 LEU N N 161 118.542 120.304 -1.762 1
1 1042 . 18 1 1 A 84 84 HIS H H 162 8.842 8.083 0.759 1
1 1043 . 18 1 1 A 84 84 HIS HA H 162 3.986 4.224 -0.238 1
1 1047 . 18 1 1 A 84 84 HIS C C 162 178.286 177.088 1.198 1
1 1048 . 18 1 1 A 84 84 HIS CA C 162 58.407 60.157 -1.750 1
1 1049 . 18 1 1 A 84 84 HIS CB C 162 32.405 30.127 2.278 1
1 1051 . 18 1 1 A 84 84 HIS N N 162 120.325 118.398 1.927 1
1 1052 . 18 1 1 A 85 85 LYS H H 163 7.951 8.348 -0.397 1
1 1053 . 18 1 1 A 85 85 LYS HA H 163 3.383 3.955 -0.572 1
1 1062 . 18 1 1 A 85 85 LYS C C 163 177.303 179.327 -2.024 1
1 1063 . 18 1 1 A 85 85 LYS CA C 163 59.730 59.298 0.432 1
1 1064 . 18 1 1 A 85 85 LYS CB C 163 32.489 31.784 0.705 1
1 1068 . 18 1 1 A 85 85 LYS N N 163 116.598 120.014 -3.416 1
1 1069 . 18 1 1 A 86 86 SER H H 164 7.334 7.768 -0.434 1
1 1070 . 18 1 1 A 86 86 SER HA H 164 4.442 4.178 0.264 1
1 1073 . 18 1 1 A 86 86 SER C C 164 175.296 174.234 1.062 1
1 1074 . 18 1 1 A 86 86 SER CA C 164 59.708 61.572 -1.864 1
1 1075 . 18 1 1 A 86 86 SER CB C 164 64.669 62.552 2.117 1
1 1076 . 18 1 1 A 86 86 SER N N 164 113.922 114.684 -0.762 1
1 1077 . 18 1 1 A 87 87 TYR H H 165 7.321 7.435 -0.114 1
1 1078 . 18 1 1 A 87 87 TYR HA H 165 5.037 4.871 0.166 1
1 1085 . 18 1 1 A 87 87 TYR C C 165 175.143 176.214 -1.071 1
1 1086 . 18 1 1 A 87 87 TYR CA C 165 54.570 57.801 -3.231 1
1 1087 . 18 1 1 A 87 87 TYR CB C 165 36.575 39.946 -3.371 1
1 1092 . 18 1 1 A 87 87 TYR N N 165 123.163 119.638 3.525 1
1 1093 . 18 1 1 A 88 88 ARG H H 166 7.263 8.792 -1.529 1
1 1094 . 18 1 1 A 88 88 ARG HA H 166 4.264 4.773 -0.509 1
1 1102 . 18 1 1 A 88 88 ARG C C 166 177.455 176.788 0.667 1
1 1103 . 18 1 1 A 88 88 ARG CA C 166 58.086 55.913 2.173 1
1 1104 . 18 1 1 A 88 88 ARG CB C 166 30.702 31.887 -1.185 1
1 1107 . 18 1 1 A 88 88 ARG N N 166 119.334 119.806 -0.472 1
1 1108 . 18 1 1 A 89 89 SER H H 167 10.206 7.958 2.248 1
1 1109 . 18 1 1 A 89 89 SER HA H 167 4.265 4.795 -0.530 1
1 1112 . 18 1 1 A 89 89 SER C C 167 174.371 173.780 0.591 1
1 1113 . 18 1 1 A 89 89 SER CA C 167 60.818 57.956 2.862 1
1 1114 . 18 1 1 A 89 89 SER CB C 167 62.576 64.998 -2.422 1
1 1115 . 18 1 1 A 89 89 SER N N 167 121.486 114.459 7.027 1
1 1116 . 18 1 1 A 90 90 MET H H 168 8.409 7.695 0.714 1
1 1117 . 18 1 1 A 90 90 MET HA H 168 4.531 4.372 0.159 1
1 1125 . 18 1 1 A 90 90 MET C C 168 177.396 175.502 1.894 1
1 1126 . 18 1 1 A 90 90 MET CA C 168 56.283 56.255 0.028 1
1 1127 . 18 1 1 A 90 90 MET CB C 168 35.048 33.459 1.589 1
1 1130 . 18 1 1 A 90 90 MET N N 168 124.849 122.199 2.650 1
1 1131 . 18 1 1 A 91 91 THR H H 169 8.981 8.946 0.035 1
1 1132 . 18 1 1 A 91 91 THR HA H 169 4.589 4.991 -0.402 1
1 1137 . 18 1 1 A 91 91 THR C C 169 173.532 174.597 -1.065 1
1 1138 . 18 1 1 A 91 91 THR CA C 169 61.052 59.345 1.707 1
1 1139 . 18 1 1 A 91 91 THR CB C 169 68.249 69.267 -1.018 1
1 1141 . 18 1 1 A 91 91 THR N N 169 122.910 114.248 8.662 1
1 1142 . 18 1 1 A 92 92 PRO HA H 170 4.151 4.220 -0.069 1
1 1147 . 18 1 1 A 92 92 PRO C C 170 177.481 178.464 -0.983 1
1 1148 . 18 1 1 A 92 92 PRO CA C 170 66.599 66.204 0.395 1
1 1149 . 18 1 1 A 92 92 PRO CB C 170 31.740 31.441 0.299 1
1 1151 . 18 1 1 A 93 93 ALA H H 171 7.833 8.332 -0.499 1
1 1152 . 18 1 1 A 93 93 ALA HA H 171 4.135 3.930 0.205 1
1 1156 . 18 1 1 A 93 93 ALA C C 171 180.982 179.893 1.089 1
1 1157 . 18 1 1 A 93 93 ALA CA C 171 54.982 55.396 -0.414 1
1 1158 . 18 1 1 A 93 93 ALA CB C 171 18.373 18.547 -0.174 1
1 1159 . 18 1 1 A 93 93 ALA N N 171 115.945 118.167 -2.222 1
1 1160 . 18 1 1 A 94 94 GLN H H 172 7.868 7.834 0.034 1
1 1161 . 18 1 1 A 94 94 GLN HA H 172 3.911 3.952 -0.041 1
1 1168 . 18 1 1 A 94 94 GLN C C 172 178.279 177.877 0.402 1
1 1169 . 18 1 1 A 94 94 GLN CA C 172 58.547 58.430 0.117 1
1 1170 . 18 1 1 A 94 94 GLN CB C 172 28.318 28.541 -0.223 1
1 1172 . 18 1 1 A 94 94 GLN N N 172 118.910 117.991 0.919 1
1 1174 . 18 1 1 A 95 95 ALA H H 173 8.459 7.822 0.637 1
1 1175 . 18 1 1 A 95 95 ALA HA H 173 4.066 3.841 0.225 1
1 1179 . 18 1 1 A 95 95 ALA C C 173 179.362 179.594 -0.232 1
1 1180 . 18 1 1 A 95 95 ALA CA C 173 55.413 55.273 0.140 1
1 1181 . 18 1 1 A 95 95 ALA CB C 173 17.730 18.495 -0.765 1
1 1182 . 18 1 1 A 95 95 ALA N N 173 123.672 121.855 1.817 1
1 1183 . 18 1 1 A 96 96 ASP H H 174 8.541 8.101 0.440 1
1 1184 . 18 1 1 A 96 96 ASP HA H 174 4.317 4.382 -0.065 1
1 1187 . 18 1 1 A 96 96 ASP C C 174 178.340 178.501 -0.161 1
1 1188 . 18 1 1 A 96 96 ASP CA C 174 57.230 57.489 -0.259 1
1 1189 . 18 1 1 A 96 96 ASP CB C 174 40.024 40.510 -0.486 1
1 1190 . 18 1 1 A 96 96 ASP N N 174 119.397 119.490 -0.093 1
1 1191 . 18 1 1 A 97 97 LEU H H 175 7.798 8.090 -0.292 1
1 1192 . 18 1 1 A 97 97 LEU HA H 175 3.968 4.130 -0.162 1
1 1202 . 18 1 1 A 97 97 LEU C C 175 179.822 178.566 1.256 1
1 1203 . 18 1 1 A 97 97 LEU CA C 175 58.737 57.362 1.375 1
1 1204 . 18 1 1 A 97 97 LEU CB C 175 41.661 41.383 0.278 1
1 1208 . 18 1 1 A 97 97 LEU N N 175 120.724 120.196 0.528 1
1 1209 . 18 1 1 A 98 98 GLU H H 176 8.172 8.108 0.064 1
1 1210 . 18 1 1 A 98 98 GLU HA H 176 3.885 3.690 0.195 1
1 1215 . 18 1 1 A 98 98 GLU C C 176 180.447 178.937 1.510 1
1 1216 . 18 1 1 A 98 98 GLU CA C 176 58.870 59.403 -0.533 1
1 1217 . 18 1 1 A 98 98 GLU CB C 176 27.413 28.452 -1.039 1
1 1219 . 18 1 1 A 98 98 GLU N N 176 119.724 119.366 0.358 1
1 1220 . 18 1 1 A 99 99 PHE H H 177 8.542 7.776 0.766 1
1 1221 . 18 1 1 A 99 99 PHE HA H 177 3.819 4.163 -0.344 1
1 1229 . 18 1 1 A 99 99 PHE C C 177 176.805 177.119 -0.314 1
1 1230 . 18 1 1 A 99 99 PHE CA C 177 62.277 61.373 0.904 1
1 1231 . 18 1 1 A 99 99 PHE CB C 177 38.948 39.047 -0.099 1
1 1237 . 18 1 1 A 99 99 PHE N N 177 123.837 121.512 2.325 1
1 1238 . 18 1 1 A 100 100 LEU H H 178 8.532 8.423 0.109 1
1 1239 . 18 1 1 A 100 100 LEU HA H 178 4.028 4.006 0.022 1
1 1249 . 18 1 1 A 100 100 LEU C C 178 179.884 179.485 0.399 1
1 1250 . 18 1 1 A 100 100 LEU CA C 178 58.046 58.033 0.013 1
1 1251 . 18 1 1 A 100 100 LEU CB C 178 41.419 41.500 -0.081 1
1 1255 . 18 1 1 A 100 100 LEU N N 178 119.496 119.241 0.255 1
1 1256 . 18 1 1 A 101 101 GLU H H 179 8.769 8.615 0.154 1
1 1257 . 18 1 1 A 101 101 GLU HA H 179 4.043 3.966 0.077 1
1 1262 . 18 1 1 A 101 101 GLU C C 179 179.881 178.791 1.090 1
1 1263 . 18 1 1 A 101 101 GLU CA C 179 59.465 59.253 0.212 1
1 1264 . 18 1 1 A 101 101 GLU CB C 179 29.478 29.208 0.270 1
1 1266 . 18 1 1 A 101 101 GLU N N 179 120.825 119.757 1.068 1
1 1267 . 18 1 1 A 102 102 ASN H H 180 7.865 7.725 0.140 1
1 1268 . 18 1 1 A 102 102 ASN HA H 180 4.329 4.388 -0.059 1
1 1273 . 18 1 1 A 102 102 ASN C C 180 176.692 177.445 -0.753 1
1 1274 . 18 1 1 A 102 102 ASN CA C 180 57.537 55.779 1.758 1
1 1275 . 18 1 1 A 102 102 ASN CB C 180 40.085 38.416 1.669 1
1 1276 . 18 1 1 A 102 102 ASN N N 180 116.591 117.256 -0.665 1
1 1278 . 18 1 1 A 103 103 ALA H H 181 8.744 8.393 0.351 1
1 1279 . 18 1 1 A 103 103 ALA HA H 181 4.130 3.899 0.231 1
1 1283 . 18 1 1 A 103 103 ALA C C 181 179.546 179.397 0.149 1
1 1284 . 18 1 1 A 103 103 ALA CA C 181 55.148 54.888 0.260 1
1 1285 . 18 1 1 A 103 103 ALA CB C 181 18.154 18.352 -0.198 1
1 1286 . 18 1 1 A 103 103 ALA N N 181 122.431 122.231 0.200 1
1 1287 . 18 1 1 A 104 104 LYS H H 182 8.493 7.689 0.804 1
1 1288 . 18 1 1 A 104 104 LYS HA H 182 3.786 3.688 0.098 1
1 1297 . 18 1 1 A 104 104 LYS C C 182 180.012 178.046 1.966 1
1 1298 . 18 1 1 A 104 104 LYS CA C 182 58.547 58.947 -0.400 1
1 1299 . 18 1 1 A 104 104 LYS CB C 182 31.194 31.783 -0.589 1
1 1303 . 18 1 1 A 104 104 LYS N N 182 119.195 117.826 1.369 1
1 1304 . 18 1 1 A 105 105 LYS H H 183 7.661 7.621 0.040 1
1 1305 . 18 1 1 A 105 105 LYS HA H 183 4.111 4.074 0.037 1
1 1314 . 18 1 1 A 105 105 LYS C C 183 178.010 178.219 -0.209 1
1 1315 . 18 1 1 A 105 105 LYS CA C 183 58.823 58.697 0.126 1
1 1316 . 18 1 1 A 105 105 LYS CB C 183 32.287 31.768 0.519 1
1 1320 . 18 1 1 A 105 105 LYS N N 183 120.301 118.908 1.393 1
1 1321 . 18 1 1 A 106 106 LEU H H 184 7.403 7.473 -0.070 1
1 1322 . 18 1 1 A 106 106 LEU HA H 184 4.385 4.303 0.082 1
1 1331 . 18 1 1 A 106 106 LEU C C 184 176.332 176.024 0.308 1
1 1332 . 18 1 1 A 106 106 LEU CA C 184 54.857 54.691 0.166 1
1 1333 . 18 1 1 A 106 106 LEU CB C 184 42.054 41.972 0.082 1
1 1336 . 18 1 1 A 106 106 LEU N N 184 118.606 118.314 0.292 1
1 1337 . 18 1 1 A 107 107 SER H H 185 8.123 8.097 0.026 1
1 1338 . 18 1 1 A 107 107 SER HA H 185 4.202 4.152 0.050 1
1 1341 . 18 1 1 A 107 107 SER C C 185 174.826 174.006 0.820 1
1 1342 . 18 1 1 A 107 107 SER CA C 185 58.894 59.280 -0.386 1
1 1343 . 18 1 1 A 107 107 SER CB C 185 61.684 61.188 0.496 1
1 1344 . 18 1 1 A 107 107 SER N N 185 113.023 112.531 0.492 1
1 1345 . 18 1 1 A 108 108 MET H H 186 8.212 7.849 0.363 1
1 1346 . 18 1 1 A 108 108 MET HA H 186 4.188 4.175 0.013 1
1 1354 . 18 1 1 A 108 108 MET C C 186 174.495 176.891 -2.396 1
1 1355 . 18 1 1 A 108 108 MET CA C 186 57.328 58.668 -1.340 1
1 1356 . 18 1 1 A 108 108 MET CB C 186 33.414 33.532 -0.118 1
1 1359 . 18 1 1 A 108 108 MET N N 186 117.267 118.079 -0.812 1
1 4 . 19 1 1 A 2 2 SER HA H 80 4.477 5.409 -0.932 1
1 7 . 19 1 1 A 2 2 SER CA C 80 58.344 56.940 1.404 1
1 8 . 19 1 1 A 2 2 SER CB C 80 64.002 65.256 -1.254 1
1 9 . 19 1 1 A 3 3 HIS HA H 81 4.614 5.117 -0.503 1
1 13 . 19 1 1 A 3 3 HIS C C 81 174.681 174.233 0.448 1
1 14 . 19 1 1 A 3 3 HIS CA C 81 56.231 54.795 1.436 1
1 15 . 19 1 1 A 3 3 HIS CB C 81 29.839 32.322 -2.483 1
1 17 . 19 1 1 A 4 4 MET H H 82 8.285 9.007 -0.722 1
1 18 . 19 1 1 A 4 4 MET HA H 82 4.416 4.954 -0.538 1
1 26 . 19 1 1 A 4 4 MET C C 82 175.286 173.548 1.738 1
1 27 . 19 1 1 A 4 4 MET CA C 82 55.165 54.215 0.950 1
1 28 . 19 1 1 A 4 4 MET CB C 82 32.988 35.676 -2.688 1
1 31 . 19 1 1 A 4 4 MET N N 82 121.559 126.845 -5.286 1
1 32 . 19 1 1 A 5 5 ASP H H 83 8.362 8.772 -0.410 1
1 33 . 19 1 1 A 5 5 ASP HA H 83 4.844 5.087 -0.243 1
1 36 . 19 1 1 A 5 5 ASP C C 83 175.239 176.028 -0.789 1
1 37 . 19 1 1 A 5 5 ASP CA C 83 52.238 51.351 0.887 1
1 38 . 19 1 1 A 5 5 ASP CB C 83 41.471 41.566 -0.095 1
1 39 . 19 1 1 A 5 5 ASP N N 83 124.060 123.947 0.113 1
1 40 . 19 1 1 A 6 6 PRO HA H 84 4.327 4.441 -0.114 1
1 47 . 19 1 1 A 6 6 PRO C C 84 177.388 177.797 -0.409 1
1 48 . 19 1 1 A 6 6 PRO CA C 84 64.084 64.326 -0.242 1
1 49 . 19 1 1 A 6 6 PRO CB C 84 32.022 31.797 0.225 1
1 52 . 19 1 1 A 7 7 ALA H H 85 8.406 8.118 0.288 1
1 53 . 19 1 1 A 7 7 ALA HA H 85 4.239 4.120 0.119 1
1 57 . 19 1 1 A 7 7 ALA C C 85 178.462 178.651 -0.189 1
1 58 . 19 1 1 A 7 7 ALA CA C 85 53.223 54.704 -1.481 1
1 59 . 19 1 1 A 7 7 ALA CB C 85 18.801 18.444 0.357 1
1 60 . 19 1 1 A 7 7 ALA N N 85 121.868 119.212 2.656 1
1 61 . 19 1 1 A 8 8 GLN H H 86 7.985 7.834 0.151 1
1 62 . 19 1 1 A 8 8 GLN HA H 86 4.264 4.630 -0.366 1
1 69 . 19 1 1 A 8 8 GLN C C 86 176.124 176.417 -0.293 1
1 70 . 19 1 1 A 8 8 GLN CA C 86 56.101 55.132 0.969 1
1 71 . 19 1 1 A 8 8 GLN CB C 86 29.456 28.961 0.495 1
1 73 . 19 1 1 A 8 8 GLN N N 86 117.727 114.860 2.867 1
1 75 . 19 1 1 A 9 9 LEU H H 87 8.102 7.895 0.207 1
1 76 . 19 1 1 A 9 9 LEU HA H 87 4.394 4.537 -0.143 1
1 86 . 19 1 1 A 9 9 LEU C C 87 177.923 177.294 0.629 1
1 87 . 19 1 1 A 9 9 LEU CA C 87 55.454 54.479 0.975 1
1 88 . 19 1 1 A 9 9 LEU CB C 87 42.188 41.114 1.074 1
1 92 . 19 1 1 A 9 9 LEU N N 87 122.045 120.813 1.232 1
1 93 . 19 1 1 A 10 10 THR H H 88 7.902 7.696 0.206 1
1 94 . 19 1 1 A 10 10 THR HA H 88 4.258 3.907 0.351 1
1 99 . 19 1 1 A 10 10 THR C C 88 175.742 176.487 -0.745 1
1 100 . 19 1 1 A 10 10 THR CA C 88 62.974 66.990 -4.016 1
1 101 . 19 1 1 A 10 10 THR CB C 88 69.759 68.648 1.111 1
1 103 . 19 1 1 A 10 10 THR N N 88 113.859 114.725 -0.866 1
1 104 . 19 1 1 A 11 11 GLU H H 89 8.594 8.403 0.191 1
1 105 . 19 1 1 A 11 11 GLU HA H 89 4.213 4.106 0.107 1
1 110 . 19 1 1 A 11 11 GLU C C 89 177.577 178.354 -0.777 1
1 111 . 19 1 1 A 11 11 GLU CA C 89 58.496 59.151 -0.655 1
1 112 . 19 1 1 A 11 11 GLU CB C 89 29.751 29.446 0.305 1
1 114 . 19 1 1 A 11 11 GLU N N 89 122.144 119.544 2.600 1
1 115 . 19 1 1 A 12 12 ASP H H 90 8.244 8.058 0.186 1
1 116 . 19 1 1 A 12 12 ASP HA H 90 4.419 4.317 0.102 1
1 119 . 19 1 1 A 12 12 ASP C C 90 178.623 178.866 -0.243 1
1 120 . 19 1 1 A 12 12 ASP CA C 90 56.589 57.332 -0.743 1
1 121 . 19 1 1 A 12 12 ASP CB C 90 40.332 40.384 -0.052 1
1 122 . 19 1 1 A 12 12 ASP N N 90 119.922 120.209 -0.287 1
1 123 . 19 1 1 A 13 13 ILE H H 91 8.092 7.676 0.416 1
1 124 . 19 1 1 A 13 13 ILE HA H 91 3.987 3.499 0.488 1
1 134 . 19 1 1 A 13 13 ILE C C 91 177.124 178.315 -1.191 1
1 135 . 19 1 1 A 13 13 ILE CA C 91 63.562 64.942 -1.380 1
1 136 . 19 1 1 A 13 13 ILE CB C 91 37.830 37.419 0.411 1
1 140 . 19 1 1 A 13 13 ILE N N 91 122.909 119.831 3.078 1
1 141 . 19 1 1 A 14 14 THR H H 92 8.045 8.444 -0.399 1
1 142 . 19 1 1 A 14 14 THR HA H 92 4.040 4.065 -0.025 1
1 147 . 19 1 1 A 14 14 THR C C 92 177.358 177.106 0.252 1
1 148 . 19 1 1 A 14 14 THR CA C 92 66.244 65.489 0.755 1
1 149 . 19 1 1 A 14 14 THR CB C 92 68.629 68.955 -0.326 1
1 151 . 19 1 1 A 14 14 THR N N 92 116.529 114.142 2.387 1
1 152 . 19 1 1 A 15 15 ARG H H 93 7.984 8.636 -0.652 1
1 153 . 19 1 1 A 15 15 ARG HA H 93 3.974 3.933 0.041 1
1 161 . 19 1 1 A 15 15 ARG C C 93 177.719 178.371 -0.652 1
1 162 . 19 1 1 A 15 15 ARG CA C 93 60.312 59.919 0.393 1
1 163 . 19 1 1 A 15 15 ARG CB C 93 30.591 29.714 0.877 1
1 166 . 19 1 1 A 15 15 ARG N N 93 121.521 120.611 0.910 1
1 167 . 19 1 1 A 16 16 TYR H H 94 7.948 7.813 0.135 1
1 168 . 19 1 1 A 16 16 TYR HA H 94 4.045 4.235 -0.190 1
1 175 . 19 1 1 A 16 16 TYR C C 94 177.690 177.079 0.611 1
1 176 . 19 1 1 A 16 16 TYR CA C 94 61.568 61.286 0.282 1
1 177 . 19 1 1 A 16 16 TYR CB C 94 37.543 38.458 -0.915 1
1 182 . 19 1 1 A 16 16 TYR N N 94 120.911 120.418 0.493 1
1 183 . 19 1 1 A 17 17 TYR H H 95 8.143 7.813 0.330 1
1 184 . 19 1 1 A 17 17 TYR HA H 95 4.049 4.067 -0.018 1
1 191 . 19 1 1 A 17 17 TYR C C 95 179.000 178.317 0.683 1
1 192 . 19 1 1 A 17 17 TYR CA C 95 61.454 61.245 0.209 1
1 193 . 19 1 1 A 17 17 TYR CB C 95 37.483 37.456 0.027 1
1 198 . 19 1 1 A 17 17 TYR N N 95 117.066 118.194 -1.128 1
1 199 . 19 1 1 A 18 18 LEU H H 96 7.976 8.494 -0.518 1
1 200 . 19 1 1 A 18 18 LEU HA H 96 4.203 4.122 0.081 1
1 210 . 19 1 1 A 18 18 LEU C C 96 178.998 178.425 0.573 1
1 211 . 19 1 1 A 18 18 LEU CA C 96 58.097 58.071 0.026 1
1 212 . 19 1 1 A 18 18 LEU CB C 96 41.814 41.917 -0.103 1
1 216 . 19 1 1 A 18 18 LEU N N 96 123.012 121.351 1.661 1
1 217 . 19 1 1 A 19 19 CYS H H 97 8.163 8.462 -0.299 1
1 218 . 19 1 1 A 19 19 CYS HA H 97 3.783 4.120 -0.337 1
1 221 . 19 1 1 A 19 19 CYS C C 97 176.663 177.156 -0.493 1
1 222 . 19 1 1 A 19 19 CYS CA C 97 64.973 63.572 1.401 1
1 223 . 19 1 1 A 19 19 CYS CB C 97 25.966 27.230 -1.264 1
1 224 . 19 1 1 A 19 19 CYS N N 97 117.202 117.273 -0.071 1
1 225 . 19 1 1 A 20 20 LEU H H 98 7.863 7.988 -0.125 1
1 226 . 19 1 1 A 20 20 LEU HA H 98 3.681 3.817 -0.136 1
1 236 . 19 1 1 A 20 20 LEU C C 98 179.392 179.220 0.172 1
1 237 . 19 1 1 A 20 20 LEU CA C 98 58.319 58.079 0.240 1
1 238 . 19 1 1 A 20 20 LEU CB C 98 41.944 41.327 0.617 1
1 242 . 19 1 1 A 20 20 LEU N N 98 118.833 120.466 -1.633 1
1 243 . 19 1 1 A 21 21 GLN H H 99 7.658 8.104 -0.446 1
1 244 . 19 1 1 A 21 21 GLN HA H 99 3.909 3.909 0.000 1
1 251 . 19 1 1 A 21 21 GLN C C 99 178.326 178.421 -0.095 1
1 252 . 19 1 1 A 21 21 GLN CA C 99 58.704 59.138 -0.434 1
1 253 . 19 1 1 A 21 21 GLN CB C 99 28.630 27.993 0.637 1
1 255 . 19 1 1 A 21 21 GLN N N 99 118.958 118.558 0.400 1
1 257 . 19 1 1 A 22 22 LEU H H 100 8.214 8.260 -0.046 1
1 258 . 19 1 1 A 22 22 LEU HA H 100 4.150 3.999 0.151 1
1 268 . 19 1 1 A 22 22 LEU C C 100 179.438 179.315 0.123 1
1 269 . 19 1 1 A 22 22 LEU CA C 100 58.320 57.789 0.531 1
1 270 . 19 1 1 A 22 22 LEU CB C 100 42.816 41.556 1.260 1
1 274 . 19 1 1 A 22 22 LEU N N 100 119.829 118.757 1.072 1
1 275 . 19 1 1 A 23 23 ARG H H 101 8.722 8.593 0.129 1
1 276 . 19 1 1 A 23 23 ARG HA H 101 3.946 4.073 -0.127 1
1 284 . 19 1 1 A 23 23 ARG C C 101 179.448 179.036 0.412 1
1 285 . 19 1 1 A 23 23 ARG CA C 101 60.910 59.473 1.437 1
1 286 . 19 1 1 A 23 23 ARG CB C 101 29.853 29.874 -0.021 1
1 288 . 19 1 1 A 23 23 ARG N N 101 117.690 119.645 -1.955 1
1 289 . 19 1 1 A 24 24 GLN H H 102 7.804 8.423 -0.619 1
1 290 . 19 1 1 A 24 24 GLN HA H 102 4.015 4.061 -0.046 1
1 297 . 19 1 1 A 24 24 GLN C C 102 178.951 177.853 1.098 1
1 298 . 19 1 1 A 24 24 GLN CA C 102 58.785 58.961 -0.176 1
1 299 . 19 1 1 A 24 24 GLN CB C 102 28.263 27.882 0.381 1
1 301 . 19 1 1 A 24 24 GLN N N 102 117.686 118.314 -0.628 1
1 303 . 19 1 1 A 25 25 ASP H H 103 8.393 7.769 0.624 1
1 304 . 19 1 1 A 25 25 ASP HA H 103 4.414 4.437 -0.023 1
1 307 . 19 1 1 A 25 25 ASP C C 103 179.476 178.887 0.589 1
1 308 . 19 1 1 A 25 25 ASP CA C 103 57.753 57.200 0.553 1
1 309 . 19 1 1 A 25 25 ASP CB C 103 40.432 40.815 -0.383 1
1 310 . 19 1 1 A 25 25 ASP N N 103 122.118 119.911 2.207 1
1 311 . 19 1 1 A 26 26 ILE H H 104 8.737 7.912 0.825 1
1 312 . 19 1 1 A 26 26 ILE HA H 104 3.761 3.644 0.117 1
1 320 . 19 1 1 A 26 26 ILE C C 104 180.320 178.140 2.180 1
1 321 . 19 1 1 A 26 26 ILE CA C 104 65.902 65.351 0.551 1
1 322 . 19 1 1 A 26 26 ILE CB C 104 38.826 38.009 0.817 1
1 325 . 19 1 1 A 26 26 ILE N N 104 122.668 120.679 1.989 1
1 326 . 19 1 1 A 27 27 VAL H H 105 7.923 7.724 0.199 1
1 327 . 19 1 1 A 27 27 VAL HA H 105 3.077 3.905 -0.828 1
1 335 . 19 1 1 A 27 27 VAL C C 105 176.073 177.895 -1.822 1
1 336 . 19 1 1 A 27 27 VAL CA C 105 67.080 64.692 2.388 1
1 337 . 19 1 1 A 27 27 VAL CB C 105 31.450 31.568 -0.118 1
1 340 . 19 1 1 A 27 27 VAL N N 105 121.194 116.699 4.495 1
1 341 . 19 1 1 A 28 28 ALA H H 106 7.892 7.137 0.755 1
1 342 . 19 1 1 A 28 28 ALA HA H 106 4.286 4.295 -0.009 1
1 346 . 19 1 1 A 28 28 ALA C C 106 178.366 177.747 0.619 1
1 347 . 19 1 1 A 28 28 ALA CA C 106 52.572 51.978 0.594 1
1 348 . 19 1 1 A 28 28 ALA CB C 106 19.616 19.390 0.226 1
1 349 . 19 1 1 A 28 28 ALA N N 106 117.103 121.781 -4.678 1
1 350 . 19 1 1 A 29 29 GLY H H 107 7.670 7.984 -0.314 1
1 351 . 19 1 1 A 29 29 GLY HA2 H 107 4.181 3.947 0.234 1
1 352 . 19 1 1 A 29 29 GLY HA3 H 107 3.924 3.949 -0.025 1
1 353 . 19 1 1 A 29 29 GLY C C 107 174.596 174.837 -0.241 1
1 354 . 19 1 1 A 29 29 GLY CA C 107 45.157 46.438 -1.281 1
1 355 . 19 1 1 A 29 29 GLY N N 107 105.038 106.878 -1.840 1
1 356 . 19 1 1 A 30 30 ARG H H 108 7.972 7.684 0.288 1
1 357 . 19 1 1 A 30 30 ARG HA H 108 4.185 4.244 -0.059 1
1 365 . 19 1 1 A 30 30 ARG C C 108 175.874 175.651 0.223 1
1 366 . 19 1 1 A 30 30 ARG CA C 108 57.987 57.306 0.681 1
1 367 . 19 1 1 A 30 30 ARG CB C 108 31.218 31.133 0.085 1
1 370 . 19 1 1 A 30 30 ARG N N 108 118.333 121.391 -3.058 1
1 371 . 19 1 1 A 31 31 LEU H H 109 6.696 7.456 -0.760 1
1 372 . 19 1 1 A 31 31 LEU HA H 109 4.939 4.761 0.178 1
1 382 . 19 1 1 A 31 31 LEU C C 109 173.324 173.828 -0.504 1
1 383 . 19 1 1 A 31 31 LEU CA C 109 50.930 51.744 -0.814 1
1 384 . 19 1 1 A 31 31 LEU CB C 109 43.480 45.577 -2.097 1
1 388 . 19 1 1 A 31 31 LEU N N 109 118.681 119.131 -0.450 1
1 389 . 19 1 1 A 32 32 PRO HA H 110 4.411 4.879 -0.468 1
1 396 . 19 1 1 A 32 32 PRO C C 110 176.694 176.456 0.238 1
1 397 . 19 1 1 A 32 32 PRO CA C 110 63.123 62.739 0.384 1
1 398 . 19 1 1 A 32 32 PRO CB C 110 32.022 31.745 0.277 1
1 401 . 19 1 1 A 33 33 CYS H H 111 8.273 8.516 -0.243 1
1 402 . 19 1 1 A 33 33 CYS HA H 111 4.834 5.117 -0.283 1
1 405 . 19 1 1 A 33 33 CYS C C 111 173.523 172.791 0.732 1
1 406 . 19 1 1 A 33 33 CYS CA C 111 57.890 56.819 1.071 1
1 407 . 19 1 1 A 33 33 CYS CB C 111 32.282 31.902 0.380 1
1 408 . 19 1 1 A 33 33 CYS N N 111 119.113 117.890 1.223 1
1 409 . 19 1 1 A 34 34 SER H H 112 8.738 8.897 -0.159 1
1 410 . 19 1 1 A 34 34 SER HA H 112 4.527 4.913 -0.386 1
1 413 . 19 1 1 A 34 34 SER C C 112 173.709 175.448 -1.739 1
1 414 . 19 1 1 A 34 34 SER CA C 112 57.256 56.702 0.554 1
1 415 . 19 1 1 A 34 34 SER CB C 112 65.433 65.918 -0.485 1
1 416 . 19 1 1 A 34 34 SER N N 112 118.212 117.624 0.588 1
1 417 . 19 1 1 A 35 35 PHE H H 113 9.027 9.347 -0.320 1
1 418 . 19 1 1 A 35 35 PHE HA H 113 4.047 4.068 -0.021 1
1 426 . 19 1 1 A 35 35 PHE C C 113 176.433 177.218 -0.785 1
1 427 . 19 1 1 A 35 35 PHE CA C 113 62.623 62.719 -0.096 1
1 428 . 19 1 1 A 35 35 PHE CB C 113 39.128 39.740 -0.612 1
1 434 . 19 1 1 A 35 35 PHE N N 113 122.209 124.889 -2.680 1
1 435 . 19 1 1 A 36 36 ALA H H 114 8.631 8.336 0.295 1
1 436 . 19 1 1 A 36 36 ALA HA H 114 3.926 4.155 -0.229 1
1 440 . 19 1 1 A 36 36 ALA C C 114 181.064 180.243 0.821 1
1 441 . 19 1 1 A 36 36 ALA CA C 114 55.300 55.384 -0.084 1
1 442 . 19 1 1 A 36 36 ALA CB C 114 18.423 18.596 -0.173 1
1 443 . 19 1 1 A 36 36 ALA N N 114 118.977 121.250 -2.273 1
1 444 . 19 1 1 A 37 37 THR H H 115 7.886 8.144 -0.258 1
1 445 . 19 1 1 A 37 37 THR HA H 115 3.859 3.957 -0.098 1
1 450 . 19 1 1 A 37 37 THR C C 115 175.630 176.624 -0.994 1
1 451 . 19 1 1 A 37 37 THR CA C 115 66.294 67.046 -0.752 1
1 452 . 19 1 1 A 37 37 THR CB C 115 68.298 67.923 0.375 1
1 454 . 19 1 1 A 37 37 THR N N 115 117.602 114.252 3.350 1
1 455 . 19 1 1 A 38 38 LEU H H 116 8.740 8.279 0.461 1
1 456 . 19 1 1 A 38 38 LEU HA H 116 3.904 3.936 -0.032 1
1 466 . 19 1 1 A 38 38 LEU C C 116 180.666 179.158 1.508 1
1 467 . 19 1 1 A 38 38 LEU CA C 116 58.166 57.906 0.260 1
1 468 . 19 1 1 A 38 38 LEU CB C 116 43.034 41.302 1.732 1
1 472 . 19 1 1 A 38 38 LEU N N 116 122.945 121.254 1.691 1
1 473 . 19 1 1 A 39 39 ALA H H 117 8.151 8.239 -0.088 1
1 474 . 19 1 1 A 39 39 ALA HA H 117 3.776 3.903 -0.127 1
1 478 . 19 1 1 A 39 39 ALA C C 117 178.461 179.782 -1.321 1
1 479 . 19 1 1 A 39 39 ALA CA C 117 53.839 54.909 -1.070 1
1 480 . 19 1 1 A 39 39 ALA CB C 117 17.406 17.949 -0.543 1
1 481 . 19 1 1 A 39 39 ALA N N 117 120.752 121.618 -0.866 1
1 482 . 19 1 1 A 40 40 LEU H H 118 7.801 8.155 -0.354 1
1 483 . 19 1 1 A 40 40 LEU HA H 118 3.892 4.046 -0.154 1
1 492 . 19 1 1 A 40 40 LEU C C 118 180.428 178.630 1.798 1
1 493 . 19 1 1 A 40 40 LEU CA C 118 57.978 57.952 0.026 1
1 494 . 19 1 1 A 40 40 LEU CB C 118 42.699 41.893 0.806 1
1 497 . 19 1 1 A 40 40 LEU N N 118 119.699 120.249 -0.550 1
1 498 . 19 1 1 A 41 41 LEU H H 119 9.153 8.875 0.278 1
1 499 . 19 1 1 A 41 41 LEU HA H 119 4.181 4.427 -0.246 1
1 509 . 19 1 1 A 41 41 LEU C C 119 179.132 179.379 -0.247 1
1 510 . 19 1 1 A 41 41 LEU CA C 119 58.696 58.388 0.308 1
1 511 . 19 1 1 A 41 41 LEU CB C 119 39.102 41.836 -2.734 1
1 515 . 19 1 1 A 41 41 LEU N N 119 118.687 119.372 -0.685 1
1 516 . 19 1 1 A 42 42 GLY H H 120 8.253 8.131 0.122 1
1 517 . 19 1 1 A 42 42 GLY HA2 H 120 4.016 3.738 0.278 1
1 518 . 19 1 1 A 42 42 GLY HA3 H 120 3.610 3.754 -0.144 1
1 519 . 19 1 1 A 42 42 GLY C C 120 175.046 175.885 -0.839 1
1 520 . 19 1 1 A 42 42 GLY CA C 120 48.060 47.445 0.615 1
1 521 . 19 1 1 A 42 42 GLY N N 120 106.562 106.859 -0.297 1
1 522 . 19 1 1 A 43 43 SER H H 121 8.456 8.513 -0.057 1
1 523 . 19 1 1 A 43 43 SER HA H 121 3.928 4.152 -0.224 1
1 526 . 19 1 1 A 43 43 SER C C 121 175.318 176.439 -1.121 1
1 527 . 19 1 1 A 43 43 SER CA C 121 62.651 61.230 1.421 1
1 528 . 19 1 1 A 43 43 SER CB C 121 62.722 62.984 -0.262 1
1 529 . 19 1 1 A 43 43 SER N N 121 117.787 116.896 0.891 1
1 530 . 19 1 1 A 44 44 TYR H H 122 7.311 7.662 -0.351 1
1 531 . 19 1 1 A 44 44 TYR HA H 122 4.635 4.292 0.343 1
1 538 . 19 1 1 A 44 44 TYR C C 122 178.731 178.779 -0.048 1
1 539 . 19 1 1 A 44 44 TYR CA C 122 61.704 60.698 1.006 1
1 540 . 19 1 1 A 44 44 TYR CB C 122 38.809 38.068 0.741 1
1 545 . 19 1 1 A 44 44 TYR N N 122 123.923 119.827 4.096 1
1 546 . 19 1 1 A 45 45 THR H H 123 8.748 8.243 0.505 1
1 547 . 19 1 1 A 45 45 THR HA H 123 3.747 4.148 -0.401 1
1 552 . 19 1 1 A 45 45 THR C C 123 175.781 176.704 -0.923 1
1 553 . 19 1 1 A 45 45 THR CA C 123 67.015 65.506 1.509 1
1 554 . 19 1 1 A 45 45 THR CB C 123 67.670 68.860 -1.190 1
1 556 . 19 1 1 A 45 45 THR N N 123 121.374 114.887 6.487 1
1 557 . 19 1 1 A 46 46 ILE H H 124 8.131 8.042 0.089 1
1 558 . 19 1 1 A 46 46 ILE HA H 124 3.161 3.275 -0.114 1
1 568 . 19 1 1 A 46 46 ILE C C 124 177.130 177.947 -0.817 1
1 569 . 19 1 1 A 46 46 ILE CA C 124 62.478 65.425 -2.947 1
1 570 . 19 1 1 A 46 46 ILE CB C 124 35.268 37.689 -2.421 1
1 574 . 19 1 1 A 46 46 ILE N N 124 119.593 121.832 -2.239 1
1 575 . 19 1 1 A 47 47 GLN H H 125 7.871 7.976 -0.105 1
1 576 . 19 1 1 A 47 47 GLN HA H 125 4.110 3.663 0.447 1
1 583 . 19 1 1 A 47 47 GLN C C 125 178.150 177.930 0.220 1
1 584 . 19 1 1 A 47 47 GLN CA C 125 58.333 58.398 -0.065 1
1 585 . 19 1 1 A 47 47 GLN CB C 125 27.448 27.767 -0.319 1
1 587 . 19 1 1 A 47 47 GLN N N 125 121.155 120.558 0.597 1
1 589 . 19 1 1 A 48 48 SER H H 126 8.194 8.287 -0.093 1
1 590 . 19 1 1 A 48 48 SER HA H 126 4.055 4.217 -0.162 1
1 593 . 19 1 1 A 48 48 SER C C 126 176.209 177.281 -1.072 1
1 594 . 19 1 1 A 48 48 SER CA C 126 60.823 60.919 -0.096 1
1 595 . 19 1 1 A 48 48 SER CB C 126 63.592 62.605 0.987 1
1 596 . 19 1 1 A 48 48 SER N N 126 111.964 115.761 -3.797 1
1 597 . 19 1 1 A 49 49 GLU H H 127 8.009 8.126 -0.117 1
1 598 . 19 1 1 A 49 49 GLU HA H 127 4.296 4.226 0.070 1
1 603 . 19 1 1 A 49 49 GLU C C 127 178.319 178.009 0.310 1
1 604 . 19 1 1 A 49 49 GLU CA C 127 58.376 58.550 -0.174 1
1 605 . 19 1 1 A 49 49 GLU CB C 127 30.928 30.179 0.749 1
1 607 . 19 1 1 A 49 49 GLU N N 127 116.052 121.639 -5.587 1
1 608 . 19 1 1 A 50 50 LEU H H 128 8.916 8.372 0.544 1
1 609 . 19 1 1 A 50 50 LEU HA H 128 4.549 4.470 0.079 1
1 619 . 19 1 1 A 50 50 LEU C C 128 178.447 177.331 1.116 1
1 620 . 19 1 1 A 50 50 LEU CA C 128 55.159 54.561 0.598 1
1 621 . 19 1 1 A 50 50 LEU CB C 128 43.500 42.316 1.184 1
1 625 . 19 1 1 A 50 50 LEU N N 128 117.044 116.962 0.082 1
1 626 . 19 1 1 A 51 51 GLY H H 129 7.710 8.093 -0.383 1
1 627 . 19 1 1 A 51 51 GLY HA2 H 129 4.261 3.878 0.383 1
1 628 . 19 1 1 A 51 51 GLY HA3 H 129 3.994 3.902 0.092 1
1 629 . 19 1 1 A 51 51 GLY C C 129 172.406 173.245 -0.839 1
1 630 . 19 1 1 A 51 51 GLY CA C 129 44.162 47.226 -3.064 1
1 631 . 19 1 1 A 51 51 GLY N N 129 109.110 106.271 2.839 1
1 632 . 19 1 1 A 52 52 ASP H H 130 8.131 7.917 0.214 1
1 633 . 19 1 1 A 52 52 ASP HA H 130 4.577 5.674 -1.097 1
1 636 . 19 1 1 A 52 52 ASP C C 130 176.862 174.817 2.045 1
1 637 . 19 1 1 A 52 52 ASP CA C 130 54.581 52.274 2.307 1
1 638 . 19 1 1 A 52 52 ASP CB C 130 41.028 44.685 -3.657 1
1 639 . 19 1 1 A 52 52 ASP N N 130 118.844 122.751 -3.907 1
1 640 . 19 1 1 A 53 53 TYR H H 131 8.732 9.047 -0.315 1
1 641 . 19 1 1 A 53 53 TYR HA H 131 4.410 4.466 -0.056 1
1 648 . 19 1 1 A 53 53 TYR C C 131 174.929 174.482 0.447 1
1 649 . 19 1 1 A 53 53 TYR CA C 131 58.452 59.637 -1.185 1
1 650 . 19 1 1 A 53 53 TYR CB C 131 37.536 39.175 -1.639 1
1 655 . 19 1 1 A 53 53 TYR N N 131 121.518 121.870 -0.352 1
1 656 . 19 1 1 A 54 54 ASP H H 132 9.981 7.946 2.035 1
1 657 . 19 1 1 A 54 54 ASP HA H 132 4.652 5.336 -0.684 1
1 660 . 19 1 1 A 54 54 ASP CA C 132 49.843 51.004 -1.161 1
1 661 . 19 1 1 A 54 54 ASP CB C 132 42.737 42.024 0.713 1
1 662 . 19 1 1 A 54 54 ASP N N 132 132.995 128.540 4.455 1
1 663 . 19 1 1 A 55 55 PRO HA H 133 4.117 4.379 -0.262 1
1 670 . 19 1 1 A 55 55 PRO C C 133 178.353 178.258 0.095 1
1 671 . 19 1 1 A 55 55 PRO CA C 133 64.216 64.525 -0.309 1
1 672 . 19 1 1 A 55 55 PRO CB C 133 32.133 32.136 -0.003 1
1 675 . 19 1 1 A 56 56 GLU H H 134 7.968 9.000 -1.032 1
1 676 . 19 1 1 A 56 56 GLU HA H 134 4.047 4.111 -0.064 1
1 681 . 19 1 1 A 56 56 GLU C C 134 177.001 178.560 -1.559 1
1 682 . 19 1 1 A 56 56 GLU CA C 134 57.984 58.719 -0.735 1
1 683 . 19 1 1 A 56 56 GLU CB C 134 29.667 28.599 1.068 1
1 685 . 19 1 1 A 56 56 GLU N N 134 116.491 115.981 0.510 1
1 686 . 19 1 1 A 57 57 LEU H H 135 7.137 7.518 -0.381 1
1 687 . 19 1 1 A 57 57 LEU HA H 135 4.186 4.172 0.014 1
1 697 . 19 1 1 A 57 57 LEU C C 135 177.695 176.308 1.387 1
1 698 . 19 1 1 A 57 57 LEU CA C 135 55.372 56.132 -0.760 1
1 699 . 19 1 1 A 57 57 LEU CB C 135 43.889 43.816 0.073 1
1 703 . 19 1 1 A 57 57 LEU N N 135 118.254 118.348 -0.094 1
1 704 . 19 1 1 A 58 58 HIS H H 136 8.121 8.575 -0.454 1
1 705 . 19 1 1 A 58 58 HIS HA H 136 4.560 4.949 -0.389 1
1 709 . 19 1 1 A 58 58 HIS C C 136 176.135 174.934 1.201 1
1 710 . 19 1 1 A 58 58 HIS CA C 136 56.134 54.187 1.947 1
1 711 . 19 1 1 A 58 58 HIS CB C 136 31.534 32.892 -1.358 1
1 713 . 19 1 1 A 58 58 HIS N N 136 120.254 114.970 5.284 1
1 714 . 19 1 1 A 59 59 GLY H H 137 7.890 8.598 -0.708 1
1 715 . 19 1 1 A 59 59 GLY HA2 H 137 4.166 4.050 0.116 1
1 716 . 19 1 1 A 59 59 GLY HA3 H 137 3.990 4.069 -0.079 1
1 717 . 19 1 1 A 59 59 GLY C C 137 175.021 173.343 1.678 1
1 718 . 19 1 1 A 59 59 GLY CA C 137 45.431 44.413 1.018 1
1 719 . 19 1 1 A 59 59 GLY N N 137 108.183 108.846 -0.663 1
1 720 . 19 1 1 A 60 60 VAL H H 138 8.519 8.460 0.059 1
1 721 . 19 1 1 A 60 60 VAL HA H 138 4.503 4.320 0.183 1
1 729 . 19 1 1 A 60 60 VAL C C 138 176.419 174.015 2.404 1
1 730 . 19 1 1 A 60 60 VAL CA C 138 62.905 59.401 3.504 1
1 731 . 19 1 1 A 60 60 VAL CB C 138 32.421 35.384 -2.963 1
1 734 . 19 1 1 A 60 60 VAL N N 138 116.738 119.547 -2.809 1
1 735 . 19 1 1 A 61 61 ASP H H 139 8.525 8.119 0.406 1
1 736 . 19 1 1 A 61 61 ASP HA H 139 4.959 4.334 0.625 1
1 739 . 19 1 1 A 61 61 ASP C C 139 177.816 176.098 1.718 1
1 740 . 19 1 1 A 61 61 ASP CA C 139 54.278 55.195 -0.917 1
1 741 . 19 1 1 A 61 61 ASP CB C 139 40.771 40.726 0.045 1
1 742 . 19 1 1 A 61 61 ASP N N 139 120.408 120.706 -0.298 1
1 743 . 19 1 1 A 62 62 TYR H H 140 7.553 7.648 -0.095 1
1 744 . 19 1 1 A 62 62 TYR HA H 140 4.611 4.602 0.009 1
1 751 . 19 1 1 A 62 62 TYR C C 140 176.791 176.725 0.066 1
1 752 . 19 1 1 A 62 62 TYR CA C 140 59.811 58.566 1.245 1
1 753 . 19 1 1 A 62 62 TYR CB C 140 37.453 38.010 -0.557 1
1 758 . 19 1 1 A 62 62 TYR N N 140 118.187 115.949 2.238 1
1 759 . 19 1 1 A 63 63 VAL H H 141 7.645 8.102 -0.457 1
1 760 . 19 1 1 A 63 63 VAL HA H 141 3.861 3.975 -0.114 1
1 768 . 19 1 1 A 63 63 VAL C C 141 176.409 177.763 -1.354 1
1 769 . 19 1 1 A 63 63 VAL CA C 141 63.504 66.236 -2.732 1
1 770 . 19 1 1 A 63 63 VAL CB C 141 31.598 31.331 0.267 1
1 773 . 19 1 1 A 63 63 VAL N N 141 118.945 121.940 -2.995 1
1 774 . 19 1 1 A 64 64 SER H H 142 7.611 8.095 -0.484 1
1 775 . 19 1 1 A 64 64 SER HA H 142 4.234 4.576 -0.342 1
1 778 . 19 1 1 A 64 64 SER C C 142 175.035 175.494 -0.459 1
1 779 . 19 1 1 A 64 64 SER CA C 142 60.628 60.919 -0.291 1
1 780 . 19 1 1 A 64 64 SER CB C 142 63.183 62.953 0.230 1
1 781 . 19 1 1 A 64 64 SER N N 142 113.661 116.526 -2.865 1
1 782 . 19 1 1 A 65 65 ASP H H 143 7.440 7.711 -0.271 1
1 783 . 19 1 1 A 65 65 ASP HA H 143 4.568 4.589 -0.021 1
1 786 . 19 1 1 A 65 65 ASP C C 143 175.376 177.017 -1.641 1
1 787 . 19 1 1 A 65 65 ASP CA C 143 55.077 55.545 -0.468 1
1 788 . 19 1 1 A 65 65 ASP CB C 143 40.913 41.569 -0.656 1
1 789 . 19 1 1 A 65 65 ASP N N 143 118.332 119.394 -1.062 1
1 790 . 19 1 1 A 66 66 PHE H H 144 8.115 7.821 0.294 1
1 791 . 19 1 1 A 66 66 PHE HA H 144 4.369 4.648 -0.279 1
1 798 . 19 1 1 A 66 66 PHE C C 144 174.524 176.078 -1.554 1
1 799 . 19 1 1 A 66 66 PHE CA C 144 57.705 58.182 -0.477 1
1 800 . 19 1 1 A 66 66 PHE CB C 144 41.033 40.252 0.781 1
1 805 . 19 1 1 A 66 66 PHE N N 144 120.277 117.682 2.595 1
1 806 . 19 1 1 A 67 67 LYS H H 145 8.688 8.827 -0.139 1
1 807 . 19 1 1 A 67 67 LYS HA H 145 4.671 4.501 0.170 1
1 816 . 19 1 1 A 67 67 LYS C C 145 175.437 176.127 -0.690 1
1 817 . 19 1 1 A 67 67 LYS CA C 145 55.418 55.208 0.210 1
1 818 . 19 1 1 A 67 67 LYS CB C 145 31.784 30.961 0.823 1
1 822 . 19 1 1 A 67 67 LYS N N 145 122.931 123.287 -0.356 1
1 823 . 19 1 1 A 68 68 LEU H H 146 9.642 8.562 1.080 1
1 824 . 19 1 1 A 68 68 LEU HA H 146 4.484 4.449 0.035 1
1 834 . 19 1 1 A 68 68 LEU C C 146 175.512 176.571 -1.059 1
1 835 . 19 1 1 A 68 68 LEU CA C 146 54.375 55.825 -1.450 1
1 836 . 19 1 1 A 68 68 LEU CB C 146 44.114 42.643 1.471 1
1 840 . 19 1 1 A 68 68 LEU N N 146 123.156 126.336 -3.180 1
1 841 . 19 1 1 A 69 69 ALA H H 147 7.586 7.503 0.083 1
1 842 . 19 1 1 A 69 69 ALA HA H 147 4.597 4.614 -0.017 1
1 846 . 19 1 1 A 69 69 ALA C C 147 173.720 176.708 -2.988 1
1 847 . 19 1 1 A 69 69 ALA CA C 147 49.637 50.612 -0.975 1
1 848 . 19 1 1 A 69 69 ALA CB C 147 22.691 21.428 1.263 1
1 849 . 19 1 1 A 69 69 ALA N N 147 117.486 117.110 0.376 1
1 850 . 19 1 1 A 70 70 PRO HA H 148 4.578 4.401 0.177 1
1 857 . 19 1 1 A 70 70 PRO C C 148 176.996 177.119 -0.123 1
1 858 . 19 1 1 A 70 70 PRO CA C 148 64.435 65.090 -0.655 1
1 859 . 19 1 1 A 70 70 PRO CB C 148 31.448 32.084 -0.636 1
1 862 . 19 1 1 A 71 71 ASN H H 149 8.221 8.002 0.219 1
1 863 . 19 1 1 A 71 71 ASN HA H 149 4.783 4.935 -0.152 1
1 868 . 19 1 1 A 71 71 ASN C C 149 173.865 173.989 -0.124 1
1 869 . 19 1 1 A 71 71 ASN CA C 149 52.308 51.844 0.464 1
1 870 . 19 1 1 A 71 71 ASN CB C 149 38.065 37.622 0.443 1
1 871 . 19 1 1 A 71 71 ASN N N 149 116.940 114.804 2.136 1
1 873 . 19 1 1 A 72 72 GLN H H 150 8.467 8.921 -0.454 1
1 874 . 19 1 1 A 72 72 GLN HA H 150 3.962 4.648 -0.686 1
1 881 . 19 1 1 A 72 72 GLN C C 150 174.832 175.895 -1.063 1
1 882 . 19 1 1 A 72 72 GLN CA C 150 57.793 55.980 1.813 1
1 883 . 19 1 1 A 72 72 GLN CB C 150 29.029 29.398 -0.369 1
1 885 . 19 1 1 A 72 72 GLN N N 150 123.793 125.938 -2.145 1
1 887 . 19 1 1 A 73 73 THR H H 151 7.040 8.555 -1.515 1
1 888 . 19 1 1 A 73 73 THR HA H 151 4.668 4.987 -0.319 1
1 893 . 19 1 1 A 73 73 THR C C 151 175.175 176.121 -0.946 1
1 894 . 19 1 1 A 73 73 THR CA C 151 59.504 59.289 0.215 1
1 895 . 19 1 1 A 73 73 THR CB C 151 72.544 72.185 0.359 1
1 897 . 19 1 1 A 73 73 THR N N 151 115.239 117.589 -2.350 1
1 898 . 19 1 1 A 74 74 LYS H H 152 8.949 8.966 -0.017 1
1 899 . 19 1 1 A 74 74 LYS HA H 152 4.109 4.027 0.082 1
1 908 . 19 1 1 A 74 74 LYS C C 152 178.758 178.369 0.389 1
1 909 . 19 1 1 A 74 74 LYS CA C 152 58.521 59.035 -0.514 1
1 910 . 19 1 1 A 74 74 LYS CB C 152 31.372 31.918 -0.546 1
1 914 . 19 1 1 A 74 74 LYS N N 152 122.065 119.664 2.401 1
1 915 . 19 1 1 A 75 75 GLU H H 153 8.762 8.230 0.532 1
1 916 . 19 1 1 A 75 75 GLU HA H 153 4.098 4.207 -0.109 1
1 921 . 19 1 1 A 75 75 GLU C C 153 179.947 179.187 0.760 1
1 922 . 19 1 1 A 75 75 GLU CA C 153 60.405 59.021 1.384 1
1 923 . 19 1 1 A 75 75 GLU CB C 153 28.999 29.556 -0.557 1
1 925 . 19 1 1 A 75 75 GLU N N 153 118.335 119.701 -1.366 1
1 926 . 19 1 1 A 76 76 LEU H H 154 7.726 7.766 -0.040 1
1 927 . 19 1 1 A 76 76 LEU HA H 154 4.061 3.751 0.310 1
1 937 . 19 1 1 A 76 76 LEU C C 154 178.292 178.721 -0.429 1
1 938 . 19 1 1 A 76 76 LEU CA C 154 58.188 57.884 0.304 1
1 939 . 19 1 1 A 76 76 LEU CB C 154 41.061 41.505 -0.444 1
1 943 . 19 1 1 A 76 76 LEU N N 154 121.434 121.877 -0.443 1
1 944 . 19 1 1 A 77 77 GLU H H 155 8.044 8.493 -0.449 1
1 945 . 19 1 1 A 77 77 GLU HA H 155 3.394 3.955 -0.561 1
1 950 . 19 1 1 A 77 77 GLU C C 155 178.363 179.443 -1.080 1
1 951 . 19 1 1 A 77 77 GLU CA C 155 60.409 59.919 0.490 1
1 952 . 19 1 1 A 77 77 GLU CB C 155 28.697 29.250 -0.553 1
1 954 . 19 1 1 A 77 77 GLU N N 155 118.172 118.449 -0.277 1
1 955 . 19 1 1 A 78 78 GLU H H 156 8.657 8.754 -0.097 1
1 956 . 19 1 1 A 78 78 GLU HA H 156 3.945 4.023 -0.078 1
1 961 . 19 1 1 A 78 78 GLU C C 156 179.197 179.127 0.070 1
1 962 . 19 1 1 A 78 78 GLU CA C 156 59.869 59.193 0.676 1
1 963 . 19 1 1 A 78 78 GLU CB C 156 29.466 29.173 0.293 1
1 965 . 19 1 1 A 78 78 GLU N N 156 117.944 120.250 -2.306 1
1 966 . 19 1 1 A 79 79 LYS H H 157 7.564 8.083 -0.519 1
1 967 . 19 1 1 A 79 79 LYS HA H 157 4.245 4.164 0.081 1
1 976 . 19 1 1 A 79 79 LYS C C 157 178.328 178.736 -0.408 1
1 977 . 19 1 1 A 79 79 LYS CA C 157 57.557 58.732 -1.175 1
1 978 . 19 1 1 A 79 79 LYS CB C 157 30.969 32.470 -1.501 1
1 982 . 19 1 1 A 79 79 LYS N N 157 121.118 121.327 -0.209 1
1 983 . 19 1 1 A 80 80 VAL H H 158 8.412 7.767 0.645 1
1 984 . 19 1 1 A 80 80 VAL HA H 158 3.314 3.555 -0.241 1
1 992 . 19 1 1 A 80 80 VAL C C 158 177.623 177.994 -0.371 1
1 993 . 19 1 1 A 80 80 VAL CA C 158 67.250 66.269 0.981 1
1 994 . 19 1 1 A 80 80 VAL CB C 158 30.867 31.784 -0.917 1
1 997 . 19 1 1 A 80 80 VAL N N 158 119.270 119.727 -0.457 1
1 998 . 19 1 1 A 81 81 MET H H 159 8.212 7.905 0.307 1
1 999 . 19 1 1 A 81 81 MET HA H 159 4.039 4.213 -0.174 1
1 1007 . 19 1 1 A 81 81 MET C C 159 177.305 178.762 -1.457 1
1 1008 . 19 1 1 A 81 81 MET CA C 159 59.998 59.128 0.870 1
1 1009 . 19 1 1 A 81 81 MET CB C 159 33.605 33.139 0.466 1
1 1012 . 19 1 1 A 81 81 MET N N 159 117.924 117.343 0.581 1
1 1013 . 19 1 1 A 82 82 GLU H H 160 7.780 8.322 -0.542 1
1 1014 . 19 1 1 A 82 82 GLU HA H 160 3.768 3.972 -0.204 1
1 1019 . 19 1 1 A 82 82 GLU C C 160 179.468 179.259 0.209 1
1 1020 . 19 1 1 A 82 82 GLU CA C 160 59.555 59.321 0.234 1
1 1021 . 19 1 1 A 82 82 GLU CB C 160 29.831 29.284 0.547 1
1 1023 . 19 1 1 A 82 82 GLU N N 160 119.282 119.201 0.081 1
1 1024 . 19 1 1 A 83 83 LEU H H 161 7.748 8.124 -0.376 1
1 1025 . 19 1 1 A 83 83 LEU HA H 161 3.756 3.868 -0.112 1
1 1035 . 19 1 1 A 83 83 LEU C C 161 179.113 178.711 0.402 1
1 1036 . 19 1 1 A 83 83 LEU CA C 161 57.246 57.554 -0.308 1
1 1037 . 19 1 1 A 83 83 LEU CB C 161 41.824 41.441 0.383 1
1 1041 . 19 1 1 A 83 83 LEU N N 161 118.542 119.424 -0.882 1
1 1042 . 19 1 1 A 84 84 HIS H H 162 8.842 8.066 0.776 1
1 1043 . 19 1 1 A 84 84 HIS HA H 162 3.986 4.282 -0.296 1
1 1047 . 19 1 1 A 84 84 HIS C C 162 178.286 177.186 1.100 1
1 1048 . 19 1 1 A 84 84 HIS CA C 162 58.407 60.330 -1.923 1
1 1049 . 19 1 1 A 84 84 HIS CB C 162 32.405 29.928 2.477 1
1 1051 . 19 1 1 A 84 84 HIS N N 162 120.325 118.372 1.953 1
1 1052 . 19 1 1 A 85 85 LYS H H 163 7.951 8.348 -0.397 1
1 1053 . 19 1 1 A 85 85 LYS HA H 163 3.383 4.032 -0.649 1
1 1062 . 19 1 1 A 85 85 LYS C C 163 177.303 179.630 -2.327 1
1 1063 . 19 1 1 A 85 85 LYS CA C 163 59.730 59.694 0.036 1
1 1064 . 19 1 1 A 85 85 LYS CB C 163 32.489 31.815 0.674 1
1 1068 . 19 1 1 A 85 85 LYS N N 163 116.598 118.316 -1.718 1
1 1069 . 19 1 1 A 86 86 SER H H 164 7.334 8.031 -0.697 1
1 1070 . 19 1 1 A 86 86 SER HA H 164 4.442 4.275 0.167 1
1 1073 . 19 1 1 A 86 86 SER C C 164 175.296 174.471 0.825 1
1 1074 . 19 1 1 A 86 86 SER CA C 164 59.708 60.338 -0.630 1
1 1075 . 19 1 1 A 86 86 SER CB C 164 64.669 62.974 1.695 1
1 1076 . 19 1 1 A 86 86 SER N N 164 113.922 113.359 0.563 1
1 1077 . 19 1 1 A 87 87 TYR H H 165 7.321 7.416 -0.095 1
1 1078 . 19 1 1 A 87 87 TYR HA H 165 5.037 4.608 0.429 1
1 1085 . 19 1 1 A 87 87 TYR C C 165 175.143 176.065 -0.922 1
1 1086 . 19 1 1 A 87 87 TYR CA C 165 54.570 58.766 -4.196 1
1 1087 . 19 1 1 A 87 87 TYR CB C 165 36.575 38.755 -2.180 1
1 1092 . 19 1 1 A 87 87 TYR N N 165 123.163 122.975 0.188 1
1 1093 . 19 1 1 A 88 88 ARG H H 166 7.263 8.453 -1.190 1
1 1094 . 19 1 1 A 88 88 ARG HA H 166 4.264 4.468 -0.204 1
1 1102 . 19 1 1 A 88 88 ARG C C 166 177.455 176.488 0.967 1
1 1103 . 19 1 1 A 88 88 ARG CA C 166 58.086 55.486 2.600 1
1 1104 . 19 1 1 A 88 88 ARG CB C 166 30.702 32.187 -1.485 1
1 1107 . 19 1 1 A 88 88 ARG N N 166 119.334 124.605 -5.271 1
1 1108 . 19 1 1 A 89 89 SER H H 167 10.206 8.502 1.704 1
1 1109 . 19 1 1 A 89 89 SER HA H 167 4.265 4.570 -0.305 1
1 1112 . 19 1 1 A 89 89 SER C C 167 174.371 173.612 0.759 1
1 1113 . 19 1 1 A 89 89 SER CA C 167 60.818 57.816 3.002 1
1 1114 . 19 1 1 A 89 89 SER CB C 167 62.576 62.315 0.261 1
1 1115 . 19 1 1 A 89 89 SER N N 167 121.486 116.463 5.023 1
1 1116 . 19 1 1 A 90 90 MET H H 168 8.409 9.398 -0.989 1
1 1117 . 19 1 1 A 90 90 MET HA H 168 4.531 4.627 -0.096 1
1 1125 . 19 1 1 A 90 90 MET C C 168 177.396 175.638 1.758 1
1 1126 . 19 1 1 A 90 90 MET CA C 168 56.283 55.267 1.016 1
1 1127 . 19 1 1 A 90 90 MET CB C 168 35.048 33.696 1.352 1
1 1130 . 19 1 1 A 90 90 MET N N 168 124.849 125.362 -0.513 1
1 1131 . 19 1 1 A 91 91 THR H H 169 8.981 8.569 0.412 1
1 1132 . 19 1 1 A 91 91 THR HA H 169 4.589 4.915 -0.326 1
1 1137 . 19 1 1 A 91 91 THR C C 169 173.532 174.182 -0.650 1
1 1138 . 19 1 1 A 91 91 THR CA C 169 61.052 58.601 2.451 1
1 1139 . 19 1 1 A 91 91 THR CB C 169 68.249 69.684 -1.435 1
1 1141 . 19 1 1 A 91 91 THR N N 169 122.910 114.150 8.760 1
1 1142 . 19 1 1 A 92 92 PRO HA H 170 4.151 4.197 -0.046 1
1 1147 . 19 1 1 A 92 92 PRO C C 170 177.481 178.267 -0.786 1
1 1148 . 19 1 1 A 92 92 PRO CA C 170 66.599 66.004 0.595 1
1 1149 . 19 1 1 A 92 92 PRO CB C 170 31.740 31.468 0.272 1
1 1151 . 19 1 1 A 93 93 ALA H H 171 7.833 8.346 -0.513 1
1 1152 . 19 1 1 A 93 93 ALA HA H 171 4.135 3.999 0.136 1
1 1156 . 19 1 1 A 93 93 ALA C C 171 180.982 180.595 0.387 1
1 1157 . 19 1 1 A 93 93 ALA CA C 171 54.982 55.390 -0.408 1
1 1158 . 19 1 1 A 93 93 ALA CB C 171 18.373 18.529 -0.156 1
1 1159 . 19 1 1 A 93 93 ALA N N 171 115.945 118.212 -2.267 1
1 1160 . 19 1 1 A 94 94 GLN H H 172 7.868 7.968 -0.100 1
1 1161 . 19 1 1 A 94 94 GLN HA H 172 3.911 3.987 -0.076 1
1 1168 . 19 1 1 A 94 94 GLN C C 172 178.279 178.245 0.034 1
1 1169 . 19 1 1 A 94 94 GLN CA C 172 58.547 58.699 -0.152 1
1 1170 . 19 1 1 A 94 94 GLN CB C 172 28.318 28.340 -0.022 1
1 1172 . 19 1 1 A 94 94 GLN N N 172 118.910 117.613 1.297 1
1 1174 . 19 1 1 A 95 95 ALA H H 173 8.459 7.714 0.745 1
1 1175 . 19 1 1 A 95 95 ALA HA H 173 4.066 3.813 0.253 1
1 1179 . 19 1 1 A 95 95 ALA C C 173 179.362 179.108 0.254 1
1 1180 . 19 1 1 A 95 95 ALA CA C 173 55.413 55.349 0.064 1
1 1181 . 19 1 1 A 95 95 ALA CB C 173 17.730 18.245 -0.515 1
1 1182 . 19 1 1 A 95 95 ALA N N 173 123.672 122.723 0.949 1
1 1183 . 19 1 1 A 96 96 ASP H H 174 8.541 8.425 0.116 1
1 1184 . 19 1 1 A 96 96 ASP HA H 174 4.317 4.365 -0.048 1
1 1187 . 19 1 1 A 96 96 ASP C C 174 178.340 178.423 -0.083 1
1 1188 . 19 1 1 A 96 96 ASP CA C 174 57.230 57.719 -0.489 1
1 1189 . 19 1 1 A 96 96 ASP CB C 174 40.024 41.010 -0.986 1
1 1190 . 19 1 1 A 96 96 ASP N N 174 119.397 119.374 0.023 1
1 1191 . 19 1 1 A 97 97 LEU H H 175 7.798 8.094 -0.296 1
1 1192 . 19 1 1 A 97 97 LEU HA H 175 3.968 4.111 -0.143 1
1 1202 . 19 1 1 A 97 97 LEU C C 175 179.822 178.612 1.210 1
1 1203 . 19 1 1 A 97 97 LEU CA C 175 58.737 57.167 1.570 1
1 1204 . 19 1 1 A 97 97 LEU CB C 175 41.661 41.567 0.094 1
1 1208 . 19 1 1 A 97 97 LEU N N 175 120.724 119.996 0.728 1
1 1209 . 19 1 1 A 98 98 GLU H H 176 8.172 8.437 -0.265 1
1 1210 . 19 1 1 A 98 98 GLU HA H 176 3.885 3.727 0.158 1
1 1215 . 19 1 1 A 98 98 GLU C C 176 180.447 179.037 1.410 1
1 1216 . 19 1 1 A 98 98 GLU CA C 176 58.870 59.535 -0.665 1
1 1217 . 19 1 1 A 98 98 GLU CB C 176 27.413 28.448 -1.035 1
1 1219 . 19 1 1 A 98 98 GLU N N 176 119.724 118.950 0.774 1
1 1220 . 19 1 1 A 99 99 PHE H H 177 8.542 7.673 0.869 1
1 1221 . 19 1 1 A 99 99 PHE HA H 177 3.819 4.143 -0.324 1
1 1229 . 19 1 1 A 99 99 PHE C C 177 176.805 177.006 -0.201 1
1 1230 . 19 1 1 A 99 99 PHE CA C 177 62.277 61.343 0.934 1
1 1231 . 19 1 1 A 99 99 PHE CB C 177 38.948 39.158 -0.210 1
1 1237 . 19 1 1 A 99 99 PHE N N 177 123.837 121.333 2.504 1
1 1238 . 19 1 1 A 100 100 LEU H H 178 8.532 8.439 0.093 1
1 1239 . 19 1 1 A 100 100 LEU HA H 178 4.028 3.957 0.071 1
1 1249 . 19 1 1 A 100 100 LEU C C 178 179.884 179.369 0.515 1
1 1250 . 19 1 1 A 100 100 LEU CA C 178 58.046 58.080 -0.034 1
1 1251 . 19 1 1 A 100 100 LEU CB C 178 41.419 41.387 0.032 1
1 1255 . 19 1 1 A 100 100 LEU N N 178 119.496 119.095 0.401 1
1 1256 . 19 1 1 A 101 101 GLU H H 179 8.769 8.581 0.188 1
1 1257 . 19 1 1 A 101 101 GLU HA H 179 4.043 3.950 0.093 1
1 1262 . 19 1 1 A 101 101 GLU C C 179 179.881 179.408 0.473 1
1 1263 . 19 1 1 A 101 101 GLU CA C 179 59.465 59.675 -0.210 1
1 1264 . 19 1 1 A 101 101 GLU CB C 179 29.478 29.024 0.454 1
1 1266 . 19 1 1 A 101 101 GLU N N 179 120.825 118.497 2.328 1
1 1267 . 19 1 1 A 102 102 ASN H H 180 7.865 7.744 0.121 1
1 1268 . 19 1 1 A 102 102 ASN HA H 180 4.329 4.393 -0.064 1
1 1273 . 19 1 1 A 102 102 ASN C C 180 176.692 177.461 -0.769 1
1 1274 . 19 1 1 A 102 102 ASN CA C 180 57.537 55.798 1.739 1
1 1275 . 19 1 1 A 102 102 ASN CB C 180 40.085 38.343 1.742 1
1 1276 . 19 1 1 A 102 102 ASN N N 180 116.591 118.370 -1.779 1
1 1278 . 19 1 1 A 103 103 ALA H H 181 8.744 8.327 0.417 1
1 1279 . 19 1 1 A 103 103 ALA HA H 181 4.130 3.906 0.224 1
1 1283 . 19 1 1 A 103 103 ALA C C 181 179.546 179.449 0.097 1
1 1284 . 19 1 1 A 103 103 ALA CA C 181 55.148 54.916 0.232 1
1 1285 . 19 1 1 A 103 103 ALA CB C 181 18.154 18.322 -0.168 1
1 1286 . 19 1 1 A 103 103 ALA N N 181 122.431 122.167 0.264 1
1 1287 . 19 1 1 A 104 104 LYS H H 182 8.493 7.791 0.702 1
1 1288 . 19 1 1 A 104 104 LYS HA H 182 3.786 3.887 -0.101 1
1 1297 . 19 1 1 A 104 104 LYS C C 182 180.012 179.038 0.974 1
1 1298 . 19 1 1 A 104 104 LYS CA C 182 58.547 59.313 -0.766 1
1 1299 . 19 1 1 A 104 104 LYS CB C 182 31.194 32.048 -0.854 1
1 1303 . 19 1 1 A 104 104 LYS N N 182 119.195 118.005 1.190 1
1 1304 . 19 1 1 A 105 105 LYS H H 183 7.661 7.768 -0.107 1
1 1305 . 19 1 1 A 105 105 LYS HA H 183 4.111 4.127 -0.016 1
1 1314 . 19 1 1 A 105 105 LYS C C 183 178.010 178.122 -0.112 1
1 1315 . 19 1 1 A 105 105 LYS CA C 183 58.823 58.233 0.590 1
1 1316 . 19 1 1 A 105 105 LYS CB C 183 32.287 32.417 -0.130 1
1 1320 . 19 1 1 A 105 105 LYS N N 183 120.301 118.402 1.899 1
1 1321 . 19 1 1 A 106 106 LEU H H 184 7.403 7.565 -0.162 1
1 1322 . 19 1 1 A 106 106 LEU HA H 184 4.385 4.330 0.055 1
1 1331 . 19 1 1 A 106 106 LEU C C 184 176.332 176.485 -0.153 1
1 1332 . 19 1 1 A 106 106 LEU CA C 184 54.857 54.731 0.126 1
1 1333 . 19 1 1 A 106 106 LEU CB C 184 42.054 41.991 0.063 1
1 1336 . 19 1 1 A 106 106 LEU N N 184 118.606 118.349 0.257 1
1 1337 . 19 1 1 A 107 107 SER H H 185 8.123 8.200 -0.077 1
1 1338 . 19 1 1 A 107 107 SER HA H 185 4.202 4.186 0.016 1
1 1341 . 19 1 1 A 107 107 SER C C 185 174.826 174.323 0.503 1
1 1342 . 19 1 1 A 107 107 SER CA C 185 58.894 59.328 -0.434 1
1 1343 . 19 1 1 A 107 107 SER CB C 185 61.684 60.882 0.802 1
1 1344 . 19 1 1 A 107 107 SER N N 185 113.023 114.207 -1.184 1
1 1345 . 19 1 1 A 108 108 MET H H 186 8.212 7.868 0.344 1
1 1346 . 19 1 1 A 108 108 MET HA H 186 4.188 4.426 -0.238 1
1 1354 . 19 1 1 A 108 108 MET C C 186 174.495 177.017 -2.522 1
1 1355 . 19 1 1 A 108 108 MET CA C 186 57.328 57.315 0.013 1
1 1356 . 19 1 1 A 108 108 MET CB C 186 33.414 31.602 1.812 1
1 1359 . 19 1 1 A 108 108 MET N N 186 117.267 118.934 -1.667 1
1 4 . 20 1 1 A 2 2 SER HA H 80 4.477 5.324 -0.847 1
1 7 . 20 1 1 A 2 2 SER CA C 80 58.344 57.836 0.508 1
1 8 . 20 1 1 A 2 2 SER CB C 80 64.002 65.332 -1.330 1
1 9 . 20 1 1 A 3 3 HIS HA H 81 4.614 5.154 -0.540 1
1 13 . 20 1 1 A 3 3 HIS C C 81 174.681 171.885 2.796 1
1 14 . 20 1 1 A 3 3 HIS CA C 81 56.231 54.823 1.408 1
1 15 . 20 1 1 A 3 3 HIS CB C 81 29.839 31.852 -2.013 1
1 17 . 20 1 1 A 4 4 MET H H 82 8.285 8.830 -0.545 1
1 18 . 20 1 1 A 4 4 MET HA H 82 4.416 4.773 -0.357 1
1 26 . 20 1 1 A 4 4 MET C C 82 175.286 175.671 -0.385 1
1 27 . 20 1 1 A 4 4 MET CA C 82 55.165 54.475 0.690 1
1 28 . 20 1 1 A 4 4 MET CB C 82 32.988 33.606 -0.618 1
1 31 . 20 1 1 A 4 4 MET N N 82 121.559 122.189 -0.630 1
1 32 . 20 1 1 A 5 5 ASP H H 83 8.362 8.663 -0.301 1
1 33 . 20 1 1 A 5 5 ASP HA H 83 4.844 4.672 0.172 1
1 36 . 20 1 1 A 5 5 ASP C C 83 175.239 176.031 -0.792 1
1 37 . 20 1 1 A 5 5 ASP CA C 83 52.238 51.854 0.384 1
1 38 . 20 1 1 A 5 5 ASP CB C 83 41.471 41.006 0.465 1
1 39 . 20 1 1 A 5 5 ASP N N 83 124.060 124.837 -0.777 1
1 40 . 20 1 1 A 6 6 PRO HA H 84 4.327 4.566 -0.239 1
1 47 . 20 1 1 A 6 6 PRO C C 84 177.388 177.028 0.360 1
1 48 . 20 1 1 A 6 6 PRO CA C 84 64.084 64.083 0.001 1
1 49 . 20 1 1 A 6 6 PRO CB C 84 32.022 31.799 0.223 1
1 52 . 20 1 1 A 7 7 ALA H H 85 8.406 8.251 0.155 1
1 53 . 20 1 1 A 7 7 ALA HA H 85 4.239 4.439 -0.200 1
1 57 . 20 1 1 A 7 7 ALA C C 85 178.462 177.869 0.593 1
1 58 . 20 1 1 A 7 7 ALA CA C 85 53.223 52.142 1.081 1
1 59 . 20 1 1 A 7 7 ALA CB C 85 18.801 19.564 -0.763 1
1 60 . 20 1 1 A 7 7 ALA N N 85 121.868 120.258 1.610 1
1 61 . 20 1 1 A 8 8 GLN H H 86 7.985 7.410 0.575 1
1 62 . 20 1 1 A 8 8 GLN HA H 86 4.264 4.596 -0.332 1
1 69 . 20 1 1 A 8 8 GLN C C 86 176.124 176.237 -0.113 1
1 70 . 20 1 1 A 8 8 GLN CA C 86 56.101 55.068 1.033 1
1 71 . 20 1 1 A 8 8 GLN CB C 86 29.456 28.993 0.463 1
1 73 . 20 1 1 A 8 8 GLN N N 86 117.727 118.461 -0.734 1
1 75 . 20 1 1 A 9 9 LEU H H 87 8.102 7.903 0.199 1
1 76 . 20 1 1 A 9 9 LEU HA H 87 4.394 4.105 0.289 1
1 86 . 20 1 1 A 9 9 LEU C C 87 177.923 178.980 -1.057 1
1 87 . 20 1 1 A 9 9 LEU CA C 87 55.454 57.525 -2.071 1
1 88 . 20 1 1 A 9 9 LEU CB C 87 42.188 42.211 -0.023 1
1 92 . 20 1 1 A 9 9 LEU N N 87 122.045 120.789 1.256 1
1 93 . 20 1 1 A 10 10 THR H H 88 7.902 8.289 -0.387 1
1 94 . 20 1 1 A 10 10 THR HA H 88 4.258 3.899 0.359 1
1 99 . 20 1 1 A 10 10 THR C C 88 175.742 176.910 -1.168 1
1 100 . 20 1 1 A 10 10 THR CA C 88 62.974 67.568 -4.594 1
1 101 . 20 1 1 A 10 10 THR CB C 88 69.759 68.175 1.584 1
1 103 . 20 1 1 A 10 10 THR N N 88 113.859 114.667 -0.808 1
1 104 . 20 1 1 A 11 11 GLU H H 89 8.594 8.577 0.017 1
1 105 . 20 1 1 A 11 11 GLU HA H 89 4.213 3.996 0.217 1
1 110 . 20 1 1 A 11 11 GLU C C 89 177.577 178.936 -1.359 1
1 111 . 20 1 1 A 11 11 GLU CA C 89 58.496 60.318 -1.822 1
1 112 . 20 1 1 A 11 11 GLU CB C 89 29.751 29.051 0.700 1
1 114 . 20 1 1 A 11 11 GLU N N 89 122.144 119.389 2.755 1
1 115 . 20 1 1 A 12 12 ASP H H 90 8.244 8.089 0.155 1
1 116 . 20 1 1 A 12 12 ASP HA H 90 4.419 4.404 0.015 1
1 119 . 20 1 1 A 12 12 ASP C C 90 178.623 178.406 0.217 1
1 120 . 20 1 1 A 12 12 ASP CA C 90 56.589 57.315 -0.726 1
1 121 . 20 1 1 A 12 12 ASP CB C 90 40.332 40.992 -0.660 1
1 122 . 20 1 1 A 12 12 ASP N N 90 119.922 119.351 0.571 1
1 123 . 20 1 1 A 13 13 ILE H H 91 8.092 7.705 0.387 1
1 124 . 20 1 1 A 13 13 ILE HA H 91 3.987 3.572 0.415 1
1 134 . 20 1 1 A 13 13 ILE C C 91 177.124 178.232 -1.108 1
1 135 . 20 1 1 A 13 13 ILE CA C 91 63.562 65.252 -1.690 1
1 136 . 20 1 1 A 13 13 ILE CB C 91 37.830 37.482 0.348 1
1 140 . 20 1 1 A 13 13 ILE N N 91 122.909 119.138 3.771 1
1 141 . 20 1 1 A 14 14 THR H H 92 8.045 8.472 -0.427 1
1 142 . 20 1 1 A 14 14 THR HA H 92 4.040 4.021 0.019 1
1 147 . 20 1 1 A 14 14 THR C C 92 177.358 177.030 0.328 1
1 148 . 20 1 1 A 14 14 THR CA C 92 66.244 65.582 0.662 1
1 149 . 20 1 1 A 14 14 THR CB C 92 68.629 69.073 -0.444 1
1 151 . 20 1 1 A 14 14 THR N N 92 116.529 114.381 2.148 1
1 152 . 20 1 1 A 15 15 ARG H H 93 7.984 8.120 -0.136 1
1 153 . 20 1 1 A 15 15 ARG HA H 93 3.974 3.959 0.015 1
1 161 . 20 1 1 A 15 15 ARG C C 93 177.719 178.030 -0.311 1
1 162 . 20 1 1 A 15 15 ARG CA C 93 60.312 59.586 0.726 1
1 163 . 20 1 1 A 15 15 ARG CB C 93 30.591 29.750 0.841 1
1 166 . 20 1 1 A 15 15 ARG N N 93 121.521 120.867 0.654 1
1 167 . 20 1 1 A 16 16 TYR H H 94 7.948 7.750 0.198 1
1 168 . 20 1 1 A 16 16 TYR HA H 94 4.045 4.222 -0.177 1
1 175 . 20 1 1 A 16 16 TYR C C 94 177.690 177.156 0.534 1
1 176 . 20 1 1 A 16 16 TYR CA C 94 61.568 61.266 0.302 1
1 177 . 20 1 1 A 16 16 TYR CB C 94 37.543 38.325 -0.782 1
1 182 . 20 1 1 A 16 16 TYR N N 94 120.911 120.172 0.739 1
1 183 . 20 1 1 A 17 17 TYR H H 95 8.143 7.840 0.303 1
1 184 . 20 1 1 A 17 17 TYR HA H 95 4.049 4.063 -0.014 1
1 191 . 20 1 1 A 17 17 TYR C C 95 179.000 178.311 0.689 1
1 192 . 20 1 1 A 17 17 TYR CA C 95 61.454 61.212 0.242 1
1 193 . 20 1 1 A 17 17 TYR CB C 95 37.483 37.478 0.005 1
1 198 . 20 1 1 A 17 17 TYR N N 95 117.066 118.014 -0.948 1
1 199 . 20 1 1 A 18 18 LEU H H 96 7.976 8.499 -0.523 1
1 200 . 20 1 1 A 18 18 LEU HA H 96 4.203 4.097 0.106 1
1 210 . 20 1 1 A 18 18 LEU C C 96 178.998 178.368 0.630 1
1 211 . 20 1 1 A 18 18 LEU CA C 96 58.097 57.936 0.161 1
1 212 . 20 1 1 A 18 18 LEU CB C 96 41.814 41.914 -0.100 1
1 216 . 20 1 1 A 18 18 LEU N N 96 123.012 121.309 1.703 1
1 217 . 20 1 1 A 19 19 CYS H H 97 8.163 8.489 -0.326 1
1 218 . 20 1 1 A 19 19 CYS HA H 97 3.783 4.028 -0.245 1
1 221 . 20 1 1 A 19 19 CYS C C 97 176.663 177.108 -0.445 1
1 222 . 20 1 1 A 19 19 CYS CA C 97 64.973 63.477 1.496 1
1 223 . 20 1 1 A 19 19 CYS CB C 97 25.966 27.329 -1.363 1
1 224 . 20 1 1 A 19 19 CYS N N 97 117.202 117.242 -0.040 1
1 225 . 20 1 1 A 20 20 LEU H H 98 7.863 8.092 -0.229 1
1 226 . 20 1 1 A 20 20 LEU HA H 98 3.681 3.833 -0.152 1
1 236 . 20 1 1 A 20 20 LEU C C 98 179.392 179.195 0.197 1
1 237 . 20 1 1 A 20 20 LEU CA C 98 58.319 58.090 0.229 1
1 238 . 20 1 1 A 20 20 LEU CB C 98 41.944 41.212 0.732 1
1 242 . 20 1 1 A 20 20 LEU N N 98 118.833 120.301 -1.468 1
1 243 . 20 1 1 A 21 21 GLN H H 99 7.658 8.128 -0.470 1
1 244 . 20 1 1 A 21 21 GLN HA H 99 3.909 3.945 -0.036 1
1 251 . 20 1 1 A 21 21 GLN C C 99 178.326 178.653 -0.327 1
1 252 . 20 1 1 A 21 21 GLN CA C 99 58.704 59.068 -0.364 1
1 253 . 20 1 1 A 21 21 GLN CB C 99 28.630 28.255 0.375 1
1 255 . 20 1 1 A 21 21 GLN N N 99 118.958 118.380 0.578 1
1 257 . 20 1 1 A 22 22 LEU H H 100 8.214 8.718 -0.504 1
1 258 . 20 1 1 A 22 22 LEU HA H 100 4.150 3.975 0.175 1
1 268 . 20 1 1 A 22 22 LEU C C 100 179.438 179.162 0.276 1
1 269 . 20 1 1 A 22 22 LEU CA C 100 58.320 57.926 0.394 1
1 270 . 20 1 1 A 22 22 LEU CB C 100 42.816 41.551 1.265 1
1 274 . 20 1 1 A 22 22 LEU N N 100 119.829 120.247 -0.418 1
1 275 . 20 1 1 A 23 23 ARG H H 101 8.722 8.422 0.300 1
1 276 . 20 1 1 A 23 23 ARG HA H 101 3.946 3.968 -0.022 1
1 284 . 20 1 1 A 23 23 ARG C C 101 179.448 178.716 0.732 1
1 285 . 20 1 1 A 23 23 ARG CA C 101 60.910 59.232 1.678 1
1 286 . 20 1 1 A 23 23 ARG CB C 101 29.853 29.694 0.159 1
1 288 . 20 1 1 A 23 23 ARG N N 101 117.690 119.046 -1.356 1
1 289 . 20 1 1 A 24 24 GLN H H 102 7.804 7.658 0.146 1
1 290 . 20 1 1 A 24 24 GLN HA H 102 4.015 4.047 -0.032 1
1 297 . 20 1 1 A 24 24 GLN C C 102 178.951 178.634 0.317 1
1 298 . 20 1 1 A 24 24 GLN CA C 102 58.785 58.510 0.275 1
1 299 . 20 1 1 A 24 24 GLN CB C 102 28.263 28.297 -0.034 1
1 301 . 20 1 1 A 24 24 GLN N N 102 117.686 118.305 -0.619 1
1 303 . 20 1 1 A 25 25 ASP H H 103 8.393 7.835 0.558 1
1 304 . 20 1 1 A 25 25 ASP HA H 103 4.414 4.505 -0.091 1
1 307 . 20 1 1 A 25 25 ASP C C 103 179.476 178.894 0.582 1
1 308 . 20 1 1 A 25 25 ASP CA C 103 57.753 57.501 0.252 1
1 309 . 20 1 1 A 25 25 ASP CB C 103 40.432 40.727 -0.295 1
1 310 . 20 1 1 A 25 25 ASP N N 103 122.118 120.170 1.948 1
1 311 . 20 1 1 A 26 26 ILE H H 104 8.737 7.601 1.136 1
1 312 . 20 1 1 A 26 26 ILE HA H 104 3.761 3.646 0.115 1
1 320 . 20 1 1 A 26 26 ILE C C 104 180.320 177.936 2.384 1
1 321 . 20 1 1 A 26 26 ILE CA C 104 65.902 65.140 0.762 1
1 322 . 20 1 1 A 26 26 ILE CB C 104 38.826 37.859 0.967 1
1 325 . 20 1 1 A 26 26 ILE N N 104 122.668 120.264 2.404 1
1 326 . 20 1 1 A 27 27 VAL H H 105 7.923 7.755 0.168 1
1 327 . 20 1 1 A 27 27 VAL HA H 105 3.077 3.896 -0.819 1
1 335 . 20 1 1 A 27 27 VAL C C 105 176.073 177.584 -1.511 1
1 336 . 20 1 1 A 27 27 VAL CA C 105 67.080 64.758 2.322 1
1 337 . 20 1 1 A 27 27 VAL CB C 105 31.450 31.548 -0.098 1
1 340 . 20 1 1 A 27 27 VAL N N 105 121.194 116.730 4.464 1
1 341 . 20 1 1 A 28 28 ALA H H 106 7.892 7.133 0.759 1
1 342 . 20 1 1 A 28 28 ALA HA H 106 4.286 4.337 -0.051 1
1 346 . 20 1 1 A 28 28 ALA C C 106 178.366 177.797 0.569 1
1 347 . 20 1 1 A 28 28 ALA CA C 106 52.572 52.020 0.552 1
1 348 . 20 1 1 A 28 28 ALA CB C 106 19.616 19.434 0.182 1
1 349 . 20 1 1 A 28 28 ALA N N 106 117.103 121.768 -4.665 1
1 350 . 20 1 1 A 29 29 GLY H H 107 7.670 8.190 -0.520 1
1 351 . 20 1 1 A 29 29 GLY HA2 H 107 4.181 3.925 0.256 1
1 352 . 20 1 1 A 29 29 GLY HA3 H 107 3.924 3.927 -0.003 1
1 353 . 20 1 1 A 29 29 GLY C C 107 174.596 174.767 -0.171 1
1 354 . 20 1 1 A 29 29 GLY CA C 107 45.157 46.562 -1.405 1
1 355 . 20 1 1 A 29 29 GLY N N 107 105.038 107.093 -2.055 1
1 356 . 20 1 1 A 30 30 ARG H H 108 7.972 7.871 0.101 1
1 357 . 20 1 1 A 30 30 ARG HA H 108 4.185 4.304 -0.119 1
1 365 . 20 1 1 A 30 30 ARG C C 108 175.874 175.669 0.205 1
1 366 . 20 1 1 A 30 30 ARG CA C 108 57.987 56.959 1.028 1
1 367 . 20 1 1 A 30 30 ARG CB C 108 31.218 31.173 0.045 1
1 370 . 20 1 1 A 30 30 ARG N N 108 118.333 121.392 -3.059 1
1 371 . 20 1 1 A 31 31 LEU H H 109 6.696 7.619 -0.923 1
1 372 . 20 1 1 A 31 31 LEU HA H 109 4.939 4.736 0.203 1
1 382 . 20 1 1 A 31 31 LEU C C 109 173.324 174.308 -0.984 1
1 383 . 20 1 1 A 31 31 LEU CA C 109 50.930 51.793 -0.863 1
1 384 . 20 1 1 A 31 31 LEU CB C 109 43.480 44.130 -0.650 1
1 388 . 20 1 1 A 31 31 LEU N N 109 118.681 119.326 -0.645 1
1 389 . 20 1 1 A 32 32 PRO HA H 110 4.411 4.491 -0.080 1
1 396 . 20 1 1 A 32 32 PRO C C 110 176.694 176.040 0.654 1
1 397 . 20 1 1 A 32 32 PRO CA C 110 63.123 63.220 -0.097 1
1 398 . 20 1 1 A 32 32 PRO CB C 110 32.022 32.072 -0.050 1
1 401 . 20 1 1 A 33 33 CYS H H 111 8.273 8.459 -0.186 1
1 402 . 20 1 1 A 33 33 CYS HA H 111 4.834 4.936 -0.102 1
1 405 . 20 1 1 A 33 33 CYS C C 111 173.523 172.771 0.752 1
1 406 . 20 1 1 A 33 33 CYS CA C 111 57.890 58.247 -0.357 1
1 407 . 20 1 1 A 33 33 CYS CB C 111 32.282 32.843 -0.561 1
1 408 . 20 1 1 A 33 33 CYS N N 111 119.113 122.299 -3.186 1
1 409 . 20 1 1 A 34 34 SER H H 112 8.738 8.824 -0.086 1
1 410 . 20 1 1 A 34 34 SER HA H 112 4.527 4.946 -0.419 1
1 413 . 20 1 1 A 34 34 SER C C 112 173.709 175.150 -1.441 1
1 414 . 20 1 1 A 34 34 SER CA C 112 57.256 56.422 0.834 1
1 415 . 20 1 1 A 34 34 SER CB C 112 65.433 65.442 -0.009 1
1 416 . 20 1 1 A 34 34 SER N N 112 118.212 117.491 0.721 1
1 417 . 20 1 1 A 35 35 PHE H H 113 9.027 9.324 -0.297 1
1 418 . 20 1 1 A 35 35 PHE HA H 113 4.047 4.083 -0.036 1
1 426 . 20 1 1 A 35 35 PHE C C 113 176.433 177.207 -0.774 1
1 427 . 20 1 1 A 35 35 PHE CA C 113 62.623 62.722 -0.099 1
1 428 . 20 1 1 A 35 35 PHE CB C 113 39.128 39.792 -0.664 1
1 434 . 20 1 1 A 35 35 PHE N N 113 122.209 126.604 -4.395 1
1 435 . 20 1 1 A 36 36 ALA H H 114 8.631 8.400 0.231 1
1 436 . 20 1 1 A 36 36 ALA HA H 114 3.926 4.035 -0.109 1
1 440 . 20 1 1 A 36 36 ALA C C 114 181.064 179.844 1.220 1
1 441 . 20 1 1 A 36 36 ALA CA C 114 55.300 55.119 0.181 1
1 442 . 20 1 1 A 36 36 ALA CB C 114 18.423 18.258 0.165 1
1 443 . 20 1 1 A 36 36 ALA N N 114 118.977 121.089 -2.112 1
1 444 . 20 1 1 A 37 37 THR H H 115 7.886 7.811 0.075 1
1 445 . 20 1 1 A 37 37 THR HA H 115 3.859 3.985 -0.126 1
1 450 . 20 1 1 A 37 37 THR C C 115 175.630 176.812 -1.182 1
1 451 . 20 1 1 A 37 37 THR CA C 115 66.294 66.654 -0.360 1
1 452 . 20 1 1 A 37 37 THR CB C 115 68.298 68.186 0.112 1
1 454 . 20 1 1 A 37 37 THR N N 115 117.602 114.569 3.033 1
1 455 . 20 1 1 A 38 38 LEU H H 116 8.740 8.136 0.604 1
1 456 . 20 1 1 A 38 38 LEU HA H 116 3.904 3.933 -0.029 1
1 466 . 20 1 1 A 38 38 LEU C C 116 180.666 179.182 1.484 1
1 467 . 20 1 1 A 38 38 LEU CA C 116 58.166 57.728 0.438 1
1 468 . 20 1 1 A 38 38 LEU CB C 116 43.034 41.298 1.736 1
1 472 . 20 1 1 A 38 38 LEU N N 116 122.945 121.438 1.507 1
1 473 . 20 1 1 A 39 39 ALA H H 117 8.151 8.059 0.092 1
1 474 . 20 1 1 A 39 39 ALA HA H 117 3.776 3.913 -0.137 1
1 478 . 20 1 1 A 39 39 ALA C C 117 178.461 179.755 -1.294 1
1 479 . 20 1 1 A 39 39 ALA CA C 117 53.839 54.881 -1.042 1
1 480 . 20 1 1 A 39 39 ALA CB C 117 17.406 18.155 -0.749 1
1 481 . 20 1 1 A 39 39 ALA N N 117 120.752 121.622 -0.870 1
1 482 . 20 1 1 A 40 40 LEU H H 118 7.801 8.042 -0.241 1
1 483 . 20 1 1 A 40 40 LEU HA H 118 3.892 4.067 -0.175 1
1 492 . 20 1 1 A 40 40 LEU C C 118 180.428 178.471 1.957 1
1 493 . 20 1 1 A 40 40 LEU CA C 118 57.978 57.935 0.043 1
1 494 . 20 1 1 A 40 40 LEU CB C 118 42.699 42.052 0.647 1
1 497 . 20 1 1 A 40 40 LEU N N 118 119.699 120.310 -0.611 1
1 498 . 20 1 1 A 41 41 LEU H H 119 9.153 8.893 0.260 1
1 499 . 20 1 1 A 41 41 LEU HA H 119 4.181 4.419 -0.238 1
1 509 . 20 1 1 A 41 41 LEU C C 119 179.132 179.252 -0.120 1
1 510 . 20 1 1 A 41 41 LEU CA C 119 58.696 58.291 0.405 1
1 511 . 20 1 1 A 41 41 LEU CB C 119 39.102 41.970 -2.868 1
1 515 . 20 1 1 A 41 41 LEU N N 119 118.687 119.090 -0.403 1
1 516 . 20 1 1 A 42 42 GLY H H 120 8.253 8.242 0.011 1
1 517 . 20 1 1 A 42 42 GLY HA2 H 120 4.016 3.854 0.162 1
1 518 . 20 1 1 A 42 42 GLY HA3 H 120 3.610 3.856 -0.246 1
1 519 . 20 1 1 A 42 42 GLY C C 120 175.046 175.890 -0.844 1
1 520 . 20 1 1 A 42 42 GLY CA C 120 48.060 47.483 0.577 1
1 521 . 20 1 1 A 42 42 GLY N N 120 106.562 106.928 -0.366 1
1 522 . 20 1 1 A 43 43 SER H H 121 8.456 8.626 -0.170 1
1 523 . 20 1 1 A 43 43 SER HA H 121 3.928 4.159 -0.231 1
1 526 . 20 1 1 A 43 43 SER C C 121 175.318 176.666 -1.348 1
1 527 . 20 1 1 A 43 43 SER CA C 121 62.651 61.207 1.444 1
1 528 . 20 1 1 A 43 43 SER CB C 121 62.722 62.967 -0.245 1
1 529 . 20 1 1 A 43 43 SER N N 121 117.787 116.872 0.915 1
1 530 . 20 1 1 A 44 44 TYR H H 122 7.311 7.574 -0.263 1
1 531 . 20 1 1 A 44 44 TYR HA H 122 4.635 4.266 0.369 1
1 538 . 20 1 1 A 44 44 TYR C C 122 178.731 178.128 0.603 1
1 539 . 20 1 1 A 44 44 TYR CA C 122 61.704 60.499 1.205 1
1 540 . 20 1 1 A 44 44 TYR CB C 122 38.809 38.031 0.778 1
1 545 . 20 1 1 A 44 44 TYR N N 122 123.923 119.787 4.136 1
1 546 . 20 1 1 A 45 45 THR H H 123 8.748 8.067 0.681 1
1 547 . 20 1 1 A 45 45 THR HA H 123 3.747 3.869 -0.122 1
1 552 . 20 1 1 A 45 45 THR C C 123 175.781 176.482 -0.701 1
1 553 . 20 1 1 A 45 45 THR CA C 123 67.015 67.036 -0.021 1
1 554 . 20 1 1 A 45 45 THR CB C 123 67.670 68.200 -0.530 1
1 556 . 20 1 1 A 45 45 THR N N 123 121.374 115.531 5.843 1
1 557 . 20 1 1 A 46 46 ILE H H 124 8.131 7.828 0.303 1
1 558 . 20 1 1 A 46 46 ILE HA H 124 3.161 3.106 0.055 1
1 568 . 20 1 1 A 46 46 ILE C C 124 177.130 177.814 -0.684 1
1 569 . 20 1 1 A 46 46 ILE CA C 124 62.478 65.216 -2.738 1
1 570 . 20 1 1 A 46 46 ILE CB C 124 35.268 37.401 -2.133 1
1 574 . 20 1 1 A 46 46 ILE N N 124 119.593 121.516 -1.923 1
1 575 . 20 1 1 A 47 47 GLN H H 125 7.871 7.812 0.059 1
1 576 . 20 1 1 A 47 47 GLN HA H 125 4.110 3.631 0.479 1
1 583 . 20 1 1 A 47 47 GLN C C 125 178.150 177.652 0.498 1
1 584 . 20 1 1 A 47 47 GLN CA C 125 58.333 58.222 0.111 1
1 585 . 20 1 1 A 47 47 GLN CB C 125 27.448 27.933 -0.485 1
1 587 . 20 1 1 A 47 47 GLN N N 125 121.155 120.427 0.728 1
1 589 . 20 1 1 A 48 48 SER H H 126 8.194 7.787 0.407 1
1 590 . 20 1 1 A 48 48 SER HA H 126 4.055 4.281 -0.226 1
1 593 . 20 1 1 A 48 48 SER C C 126 176.209 176.205 0.004 1
1 594 . 20 1 1 A 48 48 SER CA C 126 60.823 61.057 -0.234 1
1 595 . 20 1 1 A 48 48 SER CB C 126 63.592 63.252 0.340 1
1 596 . 20 1 1 A 48 48 SER N N 126 111.964 116.996 -5.032 1
1 597 . 20 1 1 A 49 49 GLU H H 127 8.009 7.882 0.127 1
1 598 . 20 1 1 A 49 49 GLU HA H 127 4.296 4.171 0.125 1
1 603 . 20 1 1 A 49 49 GLU C C 127 178.319 177.924 0.395 1
1 604 . 20 1 1 A 49 49 GLU CA C 127 58.376 58.508 -0.132 1
1 605 . 20 1 1 A 49 49 GLU CB C 127 30.928 29.932 0.996 1
1 607 . 20 1 1 A 49 49 GLU N N 127 116.052 121.182 -5.130 1
1 608 . 20 1 1 A 50 50 LEU H H 128 8.916 8.422 0.494 1
1 609 . 20 1 1 A 50 50 LEU HA H 128 4.549 4.506 0.043 1
1 619 . 20 1 1 A 50 50 LEU C C 128 178.447 177.254 1.193 1
1 620 . 20 1 1 A 50 50 LEU CA C 128 55.159 54.464 0.695 1
1 621 . 20 1 1 A 50 50 LEU CB C 128 43.500 42.671 0.829 1
1 625 . 20 1 1 A 50 50 LEU N N 128 117.044 116.728 0.316 1
1 626 . 20 1 1 A 51 51 GLY H H 129 7.710 7.866 -0.156 1
1 627 . 20 1 1 A 51 51 GLY HA2 H 129 4.261 3.967 0.294 1
1 628 . 20 1 1 A 51 51 GLY HA3 H 129 3.994 3.986 0.008 1
1 629 . 20 1 1 A 51 51 GLY C C 129 172.406 173.279 -0.873 1
1 630 . 20 1 1 A 51 51 GLY CA C 129 44.162 45.954 -1.792 1
1 631 . 20 1 1 A 51 51 GLY N N 129 109.110 106.555 2.555 1
1 632 . 20 1 1 A 52 52 ASP H H 130 8.131 8.436 -0.305 1
1 633 . 20 1 1 A 52 52 ASP HA H 130 4.577 5.246 -0.669 1
1 636 . 20 1 1 A 52 52 ASP C C 130 176.862 174.457 2.405 1
1 637 . 20 1 1 A 52 52 ASP CA C 130 54.581 53.361 1.220 1
1 638 . 20 1 1 A 52 52 ASP CB C 130 41.028 43.426 -2.398 1
1 639 . 20 1 1 A 52 52 ASP N N 130 118.844 122.998 -4.154 1
1 640 . 20 1 1 A 53 53 TYR H H 131 8.732 9.102 -0.370 1
1 641 . 20 1 1 A 53 53 TYR HA H 131 4.410 4.684 -0.274 1
1 648 . 20 1 1 A 53 53 TYR C C 131 174.929 173.875 1.054 1
1 649 . 20 1 1 A 53 53 TYR CA C 131 58.452 57.381 1.071 1
1 650 . 20 1 1 A 53 53 TYR CB C 131 37.536 39.649 -2.113 1
1 655 . 20 1 1 A 53 53 TYR N N 131 121.518 122.217 -0.699 1
1 656 . 20 1 1 A 54 54 ASP H H 132 9.981 8.190 1.791 1
1 657 . 20 1 1 A 54 54 ASP HA H 132 4.652 5.380 -0.728 1
1 660 . 20 1 1 A 54 54 ASP CA C 132 49.843 51.539 -1.696 1
1 661 . 20 1 1 A 54 54 ASP CB C 132 42.737 42.143 0.594 1
1 662 . 20 1 1 A 54 54 ASP N N 132 132.995 128.326 4.669 1
1 663 . 20 1 1 A 55 55 PRO HA H 133 4.117 4.504 -0.387 1
1 670 . 20 1 1 A 55 55 PRO C C 133 178.353 178.510 -0.157 1
1 671 . 20 1 1 A 55 55 PRO CA C 133 64.216 64.885 -0.669 1
1 672 . 20 1 1 A 55 55 PRO CB C 133 32.133 32.195 -0.062 1
1 675 . 20 1 1 A 56 56 GLU H H 134 7.968 9.194 -1.226 1
1 676 . 20 1 1 A 56 56 GLU HA H 134 4.047 4.001 0.046 1
1 681 . 20 1 1 A 56 56 GLU C C 134 177.001 177.764 -0.763 1
1 682 . 20 1 1 A 56 56 GLU CA C 134 57.984 58.778 -0.794 1
1 683 . 20 1 1 A 56 56 GLU CB C 134 29.667 28.443 1.224 1
1 685 . 20 1 1 A 56 56 GLU N N 134 116.491 116.535 -0.044 1
1 686 . 20 1 1 A 57 57 LEU H H 135 7.137 7.785 -0.648 1
1 687 . 20 1 1 A 57 57 LEU HA H 135 4.186 4.193 -0.007 1
1 697 . 20 1 1 A 57 57 LEU C C 135 177.695 176.125 1.570 1
1 698 . 20 1 1 A 57 57 LEU CA C 135 55.372 55.091 0.281 1
1 699 . 20 1 1 A 57 57 LEU CB C 135 43.889 42.153 1.736 1
1 703 . 20 1 1 A 57 57 LEU N N 135 118.254 118.379 -0.125 1
1 704 . 20 1 1 A 58 58 HIS H H 136 8.121 7.684 0.437 1
1 705 . 20 1 1 A 58 58 HIS HA H 136 4.560 4.150 0.410 1
1 709 . 20 1 1 A 58 58 HIS C C 136 176.135 174.053 2.082 1
1 710 . 20 1 1 A 58 58 HIS CA C 136 56.134 56.067 0.067 1
1 711 . 20 1 1 A 58 58 HIS CB C 136 31.534 27.611 3.923 1
1 713 . 20 1 1 A 58 58 HIS N N 136 120.254 115.330 4.924 1
1 714 . 20 1 1 A 59 59 GLY H H 137 7.890 8.072 -0.182 1
1 715 . 20 1 1 A 59 59 GLY HA2 H 137 4.166 4.170 -0.004 1
1 716 . 20 1 1 A 59 59 GLY HA3 H 137 3.990 4.189 -0.199 1
1 717 . 20 1 1 A 59 59 GLY C C 137 175.021 172.378 2.643 1
1 718 . 20 1 1 A 59 59 GLY CA C 137 45.431 44.781 0.650 1
1 719 . 20 1 1 A 59 59 GLY N N 137 108.183 109.783 -1.600 1
1 720 . 20 1 1 A 60 60 VAL H H 138 8.519 8.350 0.169 1
1 721 . 20 1 1 A 60 60 VAL HA H 138 4.503 3.835 0.668 1
1 729 . 20 1 1 A 60 60 VAL C C 138 176.419 173.842 2.577 1
1 730 . 20 1 1 A 60 60 VAL CA C 138 62.905 59.571 3.334 1
1 731 . 20 1 1 A 60 60 VAL CB C 138 32.421 35.221 -2.800 1
1 734 . 20 1 1 A 60 60 VAL N N 138 116.738 121.000 -4.262 1
1 735 . 20 1 1 A 61 61 ASP H H 139 8.525 8.493 0.032 1
1 736 . 20 1 1 A 61 61 ASP HA H 139 4.959 4.181 0.778 1
1 739 . 20 1 1 A 61 61 ASP C C 139 177.816 176.076 1.740 1
1 740 . 20 1 1 A 61 61 ASP CA C 139 54.278 55.574 -1.296 1
1 741 . 20 1 1 A 61 61 ASP CB C 139 40.771 39.285 1.486 1
1 742 . 20 1 1 A 61 61 ASP N N 139 120.408 119.742 0.666 1
1 743 . 20 1 1 A 62 62 TYR H H 140 7.553 7.645 -0.092 1
1 744 . 20 1 1 A 62 62 TYR HA H 140 4.611 4.595 0.016 1
1 751 . 20 1 1 A 62 62 TYR C C 140 176.791 177.332 -0.541 1
1 752 . 20 1 1 A 62 62 TYR CA C 140 59.811 58.573 1.238 1
1 753 . 20 1 1 A 62 62 TYR CB C 140 37.453 37.742 -0.289 1
1 758 . 20 1 1 A 62 62 TYR N N 140 118.187 117.530 0.657 1
1 759 . 20 1 1 A 63 63 VAL H H 141 7.645 8.185 -0.540 1
1 760 . 20 1 1 A 63 63 VAL HA H 141 3.861 3.974 -0.113 1
1 768 . 20 1 1 A 63 63 VAL C C 141 176.409 178.334 -1.925 1
1 769 . 20 1 1 A 63 63 VAL CA C 141 63.504 66.617 -3.113 1
1 770 . 20 1 1 A 63 63 VAL CB C 141 31.598 31.444 0.154 1
1 773 . 20 1 1 A 63 63 VAL N N 141 118.945 122.194 -3.249 1
1 774 . 20 1 1 A 64 64 SER H H 142 7.611 8.163 -0.552 1
1 775 . 20 1 1 A 64 64 SER HA H 142 4.234 4.327 -0.093 1
1 778 . 20 1 1 A 64 64 SER C C 142 175.035 176.179 -1.144 1
1 779 . 20 1 1 A 64 64 SER CA C 142 60.628 61.019 -0.391 1
1 780 . 20 1 1 A 64 64 SER CB C 142 63.183 62.952 0.231 1
1 781 . 20 1 1 A 64 64 SER N N 142 113.661 115.810 -2.149 1
1 782 . 20 1 1 A 65 65 ASP H H 143 7.440 7.897 -0.457 1
1 783 . 20 1 1 A 65 65 ASP HA H 143 4.568 4.573 -0.005 1
1 786 . 20 1 1 A 65 65 ASP C C 143 175.376 175.934 -0.558 1
1 787 . 20 1 1 A 65 65 ASP CA C 143 55.077 55.373 -0.296 1
1 788 . 20 1 1 A 65 65 ASP CB C 143 40.913 41.682 -0.769 1
1 789 . 20 1 1 A 65 65 ASP N N 143 118.332 119.836 -1.504 1
1 790 . 20 1 1 A 66 66 PHE H H 144 8.115 7.619 0.496 1
1 791 . 20 1 1 A 66 66 PHE HA H 144 4.369 4.878 -0.509 1
1 798 . 20 1 1 A 66 66 PHE C C 144 174.524 175.042 -0.518 1
1 799 . 20 1 1 A 66 66 PHE CA C 144 57.705 57.633 0.072 1
1 800 . 20 1 1 A 66 66 PHE CB C 144 41.033 40.572 0.461 1
1 805 . 20 1 1 A 66 66 PHE N N 144 120.277 117.529 2.748 1
1 806 . 20 1 1 A 67 67 LYS H H 145 8.688 8.659 0.029 1
1 807 . 20 1 1 A 67 67 LYS HA H 145 4.671 4.477 0.194 1
1 816 . 20 1 1 A 67 67 LYS C C 145 175.437 176.373 -0.936 1
1 817 . 20 1 1 A 67 67 LYS CA C 145 55.418 55.816 -0.398 1
1 818 . 20 1 1 A 67 67 LYS CB C 145 31.784 31.596 0.188 1
1 822 . 20 1 1 A 67 67 LYS N N 145 122.931 122.986 -0.055 1
1 823 . 20 1 1 A 68 68 LEU H H 146 9.642 8.599 1.043 1
1 824 . 20 1 1 A 68 68 LEU HA H 146 4.484 4.441 0.043 1
1 834 . 20 1 1 A 68 68 LEU C C 146 175.512 176.678 -1.166 1
1 835 . 20 1 1 A 68 68 LEU CA C 146 54.375 55.890 -1.515 1
1 836 . 20 1 1 A 68 68 LEU CB C 146 44.114 42.631 1.483 1
1 840 . 20 1 1 A 68 68 LEU N N 146 123.156 125.434 -2.278 1
1 841 . 20 1 1 A 69 69 ALA H H 147 7.586 7.534 0.052 1
1 842 . 20 1 1 A 69 69 ALA HA H 147 4.597 4.691 -0.094 1
1 846 . 20 1 1 A 69 69 ALA C C 147 173.720 176.922 -3.202 1
1 847 . 20 1 1 A 69 69 ALA CA C 147 49.637 50.459 -0.822 1
1 848 . 20 1 1 A 69 69 ALA CB C 147 22.691 21.578 1.113 1
1 849 . 20 1 1 A 69 69 ALA N N 147 117.486 117.536 -0.050 1
1 850 . 20 1 1 A 70 70 PRO HA H 148 4.578 4.399 0.179 1
1 857 . 20 1 1 A 70 70 PRO C C 148 176.996 177.647 -0.651 1
1 858 . 20 1 1 A 70 70 PRO CA C 148 64.435 65.285 -0.850 1
1 859 . 20 1 1 A 70 70 PRO CB C 148 31.448 31.918 -0.470 1
1 862 . 20 1 1 A 71 71 ASN H H 149 8.221 8.577 -0.356 1
1 863 . 20 1 1 A 71 71 ASN HA H 149 4.783 4.882 -0.099 1
1 868 . 20 1 1 A 71 71 ASN C C 149 173.865 174.865 -1.000 1
1 869 . 20 1 1 A 71 71 ASN CA C 149 52.308 52.437 -0.129 1
1 870 . 20 1 1 A 71 71 ASN CB C 149 38.065 37.963 0.102 1
1 871 . 20 1 1 A 71 71 ASN N N 149 116.940 114.038 2.902 1
1 873 . 20 1 1 A 72 72 GLN H H 150 8.467 8.799 -0.332 1
1 874 . 20 1 1 A 72 72 GLN HA H 150 3.962 4.543 -0.581 1
1 881 . 20 1 1 A 72 72 GLN C C 150 174.832 175.723 -0.891 1
1 882 . 20 1 1 A 72 72 GLN CA C 150 57.793 56.318 1.475 1
1 883 . 20 1 1 A 72 72 GLN CB C 150 29.029 29.062 -0.033 1
1 885 . 20 1 1 A 72 72 GLN N N 150 123.793 122.998 0.795 1
1 887 . 20 1 1 A 73 73 THR H H 151 7.040 8.508 -1.468 1
1 888 . 20 1 1 A 73 73 THR HA H 151 4.668 4.939 -0.271 1
1 893 . 20 1 1 A 73 73 THR C C 151 175.175 176.393 -1.218 1
1 894 . 20 1 1 A 73 73 THR CA C 151 59.504 59.509 -0.005 1
1 895 . 20 1 1 A 73 73 THR CB C 151 72.544 71.763 0.781 1
1 897 . 20 1 1 A 73 73 THR N N 151 115.239 117.890 -2.651 1
1 898 . 20 1 1 A 74 74 LYS H H 152 8.949 8.990 -0.041 1
1 899 . 20 1 1 A 74 74 LYS HA H 152 4.109 3.975 0.134 1
1 908 . 20 1 1 A 74 74 LYS C C 152 178.758 178.066 0.692 1
1 909 . 20 1 1 A 74 74 LYS CA C 152 58.521 60.216 -1.695 1
1 910 . 20 1 1 A 74 74 LYS CB C 152 31.372 32.058 -0.686 1
1 914 . 20 1 1 A 74 74 LYS N N 152 122.065 122.946 -0.881 1
1 915 . 20 1 1 A 75 75 GLU H H 153 8.762 8.396 0.366 1
1 916 . 20 1 1 A 75 75 GLU HA H 153 4.098 4.148 -0.050 1
1 921 . 20 1 1 A 75 75 GLU C C 153 179.947 179.035 0.912 1
1 922 . 20 1 1 A 75 75 GLU CA C 153 60.405 59.262 1.143 1
1 923 . 20 1 1 A 75 75 GLU CB C 153 28.999 29.458 -0.459 1
1 925 . 20 1 1 A 75 75 GLU N N 153 118.335 118.090 0.245 1
1 926 . 20 1 1 A 76 76 LEU H H 154 7.726 8.483 -0.757 1
1 927 . 20 1 1 A 76 76 LEU HA H 154 4.061 3.996 0.065 1
1 937 . 20 1 1 A 76 76 LEU C C 154 178.292 178.303 -0.011 1
1 938 . 20 1 1 A 76 76 LEU CA C 154 58.188 57.875 0.313 1
1 939 . 20 1 1 A 76 76 LEU CB C 154 41.061 41.476 -0.415 1
1 943 . 20 1 1 A 76 76 LEU N N 154 121.434 122.901 -1.467 1
1 944 . 20 1 1 A 77 77 GLU H H 155 8.044 8.589 -0.545 1
1 945 . 20 1 1 A 77 77 GLU HA H 155 3.394 3.911 -0.517 1
1 950 . 20 1 1 A 77 77 GLU C C 155 178.363 178.842 -0.479 1
1 951 . 20 1 1 A 77 77 GLU CA C 155 60.409 59.928 0.481 1
1 952 . 20 1 1 A 77 77 GLU CB C 155 28.697 29.150 -0.453 1
1 954 . 20 1 1 A 77 77 GLU N N 155 118.172 119.559 -1.387 1
1 955 . 20 1 1 A 78 78 GLU H H 156 8.657 8.837 -0.180 1
1 956 . 20 1 1 A 78 78 GLU HA H 156 3.945 4.008 -0.063 1
1 961 . 20 1 1 A 78 78 GLU C C 156 179.197 178.960 0.237 1
1 962 . 20 1 1 A 78 78 GLU CA C 156 59.869 59.396 0.473 1
1 963 . 20 1 1 A 78 78 GLU CB C 156 29.466 29.121 0.345 1
1 965 . 20 1 1 A 78 78 GLU N N 156 117.944 118.156 -0.212 1
1 966 . 20 1 1 A 79 79 LYS H H 157 7.564 7.665 -0.101 1
1 967 . 20 1 1 A 79 79 LYS HA H 157 4.245 4.165 0.080 1
1 976 . 20 1 1 A 79 79 LYS C C 157 178.328 178.841 -0.513 1
1 977 . 20 1 1 A 79 79 LYS CA C 157 57.557 58.640 -1.083 1
1 978 . 20 1 1 A 79 79 LYS CB C 157 30.969 32.304 -1.335 1
1 982 . 20 1 1 A 79 79 LYS N N 157 121.118 120.927 0.191 1
1 983 . 20 1 1 A 80 80 VAL H H 158 8.412 7.775 0.637 1
1 984 . 20 1 1 A 80 80 VAL HA H 158 3.314 3.559 -0.245 1
1 992 . 20 1 1 A 80 80 VAL C C 158 177.623 178.078 -0.455 1
1 993 . 20 1 1 A 80 80 VAL CA C 158 67.250 66.330 0.920 1
1 994 . 20 1 1 A 80 80 VAL CB C 158 30.867 31.912 -1.045 1
1 997 . 20 1 1 A 80 80 VAL N N 158 119.270 119.610 -0.340 1
1 998 . 20 1 1 A 81 81 MET H H 159 8.212 7.991 0.221 1
1 999 . 20 1 1 A 81 81 MET HA H 159 4.039 4.342 -0.303 1
1 1007 . 20 1 1 A 81 81 MET C C 159 177.305 178.872 -1.567 1
1 1008 . 20 1 1 A 81 81 MET CA C 159 59.998 59.169 0.829 1
1 1009 . 20 1 1 A 81 81 MET CB C 159 33.605 33.240 0.365 1
1 1012 . 20 1 1 A 81 81 MET N N 159 117.924 117.658 0.266 1
1 1013 . 20 1 1 A 82 82 GLU H H 160 7.780 8.531 -0.751 1
1 1014 . 20 1 1 A 82 82 GLU HA H 160 3.768 3.993 -0.225 1
1 1019 . 20 1 1 A 82 82 GLU C C 160 179.468 178.882 0.586 1
1 1020 . 20 1 1 A 82 82 GLU CA C 160 59.555 59.121 0.434 1
1 1021 . 20 1 1 A 82 82 GLU CB C 160 29.831 29.450 0.381 1
1 1023 . 20 1 1 A 82 82 GLU N N 160 119.282 120.260 -0.978 1
1 1024 . 20 1 1 A 83 83 LEU H H 161 7.748 8.362 -0.614 1
1 1025 . 20 1 1 A 83 83 LEU HA H 161 3.756 3.634 0.122 1
1 1035 . 20 1 1 A 83 83 LEU C C 161 179.113 178.692 0.421 1
1 1036 . 20 1 1 A 83 83 LEU CA C 161 57.246 57.538 -0.292 1
1 1037 . 20 1 1 A 83 83 LEU CB C 161 41.824 41.506 0.318 1
1 1041 . 20 1 1 A 83 83 LEU N N 161 118.542 120.045 -1.503 1
1 1042 . 20 1 1 A 84 84 HIS H H 162 8.842 8.120 0.722 1
1 1043 . 20 1 1 A 84 84 HIS HA H 162 3.986 4.150 -0.164 1
1 1047 . 20 1 1 A 84 84 HIS C C 162 178.286 176.909 1.377 1
1 1048 . 20 1 1 A 84 84 HIS CA C 162 58.407 60.446 -2.039 1
1 1049 . 20 1 1 A 84 84 HIS CB C 162 32.405 30.171 2.234 1
1 1051 . 20 1 1 A 84 84 HIS N N 162 120.325 118.228 2.097 1
1 1052 . 20 1 1 A 85 85 LYS H H 163 7.951 7.825 0.126 1
1 1053 . 20 1 1 A 85 85 LYS HA H 163 3.383 4.027 -0.644 1
1 1062 . 20 1 1 A 85 85 LYS C C 163 177.303 179.201 -1.898 1
1 1063 . 20 1 1 A 85 85 LYS CA C 163 59.730 59.048 0.682 1
1 1064 . 20 1 1 A 85 85 LYS CB C 163 32.489 31.474 1.015 1
1 1068 . 20 1 1 A 85 85 LYS N N 163 116.598 120.083 -3.485 1
1 1069 . 20 1 1 A 86 86 SER H H 164 7.334 7.714 -0.380 1
1 1070 . 20 1 1 A 86 86 SER HA H 164 4.442 4.275 0.167 1
1 1073 . 20 1 1 A 86 86 SER C C 164 175.296 174.364 0.932 1
1 1074 . 20 1 1 A 86 86 SER CA C 164 59.708 60.847 -1.139 1
1 1075 . 20 1 1 A 86 86 SER CB C 164 64.669 62.662 2.007 1
1 1076 . 20 1 1 A 86 86 SER N N 164 113.922 113.897 0.025 1
1 1077 . 20 1 1 A 87 87 TYR H H 165 7.321 7.446 -0.125 1
1 1078 . 20 1 1 A 87 87 TYR HA H 165 5.037 5.111 -0.074 1
1 1085 . 20 1 1 A 87 87 TYR C C 165 175.143 175.316 -0.173 1
1 1086 . 20 1 1 A 87 87 TYR CA C 165 54.570 57.477 -2.907 1
1 1087 . 20 1 1 A 87 87 TYR CB C 165 36.575 40.508 -3.933 1
1 1092 . 20 1 1 A 87 87 TYR N N 165 123.163 121.455 1.708 1
1 1093 . 20 1 1 A 88 88 ARG H H 166 7.263 8.665 -1.402 1
1 1094 . 20 1 1 A 88 88 ARG HA H 166 4.264 5.065 -0.801 1
1 1102 . 20 1 1 A 88 88 ARG C C 166 177.455 175.383 2.072 1
1 1103 . 20 1 1 A 88 88 ARG CA C 166 58.086 55.019 3.067 1
1 1104 . 20 1 1 A 88 88 ARG CB C 166 30.702 33.275 -2.573 1
1 1107 . 20 1 1 A 88 88 ARG N N 166 119.334 120.806 -1.472 1
1 1108 . 20 1 1 A 89 89 SER H H 167 10.206 8.800 1.406 1
1 1109 . 20 1 1 A 89 89 SER HA H 167 4.265 4.072 0.193 1
1 1112 . 20 1 1 A 89 89 SER C C 167 174.371 173.369 1.002 1
1 1113 . 20 1 1 A 89 89 SER CA C 167 60.818 59.418 1.400 1
1 1114 . 20 1 1 A 89 89 SER CB C 167 62.576 61.968 0.608 1
1 1115 . 20 1 1 A 89 89 SER N N 167 121.486 115.072 6.414 1
1 1116 . 20 1 1 A 90 90 MET H H 168 8.409 7.782 0.627 1
1 1117 . 20 1 1 A 90 90 MET HA H 168 4.531 5.076 -0.545 1
1 1125 . 20 1 1 A 90 90 MET C C 168 177.396 175.746 1.650 1
1 1126 . 20 1 1 A 90 90 MET CA C 168 56.283 54.156 2.127 1
1 1127 . 20 1 1 A 90 90 MET CB C 168 35.048 35.531 -0.483 1
1 1130 . 20 1 1 A 90 90 MET N N 168 124.849 118.935 5.914 1
1 1131 . 20 1 1 A 91 91 THR H H 169 8.981 8.845 0.136 1
1 1132 . 20 1 1 A 91 91 THR HA H 169 4.589 4.980 -0.391 1
1 1137 . 20 1 1 A 91 91 THR C C 169 173.532 174.759 -1.227 1
1 1138 . 20 1 1 A 91 91 THR CA C 169 61.052 59.187 1.865 1
1 1139 . 20 1 1 A 91 91 THR CB C 169 68.249 69.549 -1.300 1
1 1141 . 20 1 1 A 91 91 THR N N 169 122.910 113.345 9.565 1
1 1142 . 20 1 1 A 92 92 PRO HA H 170 4.151 4.209 -0.058 1
1 1147 . 20 1 1 A 92 92 PRO C C 170 177.481 178.486 -1.005 1
1 1148 . 20 1 1 A 92 92 PRO CA C 170 66.599 65.974 0.625 1
1 1149 . 20 1 1 A 92 92 PRO CB C 170 31.740 31.527 0.213 1
1 1151 . 20 1 1 A 93 93 ALA H H 171 7.833 8.362 -0.529 1
1 1152 . 20 1 1 A 93 93 ALA HA H 171 4.135 3.985 0.150 1
1 1156 . 20 1 1 A 93 93 ALA C C 171 180.982 180.715 0.267 1
1 1157 . 20 1 1 A 93 93 ALA CA C 171 54.982 55.398 -0.416 1
1 1158 . 20 1 1 A 93 93 ALA CB C 171 18.373 18.547 -0.174 1
1 1159 . 20 1 1 A 93 93 ALA N N 171 115.945 118.304 -2.359 1
1 1160 . 20 1 1 A 94 94 GLN H H 172 7.868 7.816 0.052 1
1 1161 . 20 1 1 A 94 94 GLN HA H 172 3.911 4.021 -0.110 1
1 1168 . 20 1 1 A 94 94 GLN C C 172 178.279 178.478 -0.199 1
1 1169 . 20 1 1 A 94 94 GLN CA C 172 58.547 58.757 -0.210 1
1 1170 . 20 1 1 A 94 94 GLN CB C 172 28.318 28.387 -0.069 1
1 1172 . 20 1 1 A 94 94 GLN N N 172 118.910 117.854 1.056 1
1 1174 . 20 1 1 A 95 95 ALA H H 173 8.459 7.764 0.695 1
1 1175 . 20 1 1 A 95 95 ALA HA H 173 4.066 3.864 0.202 1
1 1179 . 20 1 1 A 95 95 ALA C C 173 179.362 179.598 -0.236 1
1 1180 . 20 1 1 A 95 95 ALA CA C 173 55.413 55.141 0.272 1
1 1181 . 20 1 1 A 95 95 ALA CB C 173 17.730 18.076 -0.346 1
1 1182 . 20 1 1 A 95 95 ALA N N 173 123.672 122.329 1.343 1
1 1183 . 20 1 1 A 96 96 ASP H H 174 8.541 8.300 0.241 1
1 1184 . 20 1 1 A 96 96 ASP HA H 174 4.317 4.376 -0.059 1
1 1187 . 20 1 1 A 96 96 ASP C C 174 178.340 178.513 -0.173 1
1 1188 . 20 1 1 A 96 96 ASP CA C 174 57.230 57.419 -0.189 1
1 1189 . 20 1 1 A 96 96 ASP CB C 174 40.024 40.419 -0.395 1
1 1190 . 20 1 1 A 96 96 ASP N N 174 119.397 119.732 -0.335 1
1 1191 . 20 1 1 A 97 97 LEU H H 175 7.798 8.118 -0.320 1
1 1192 . 20 1 1 A 97 97 LEU HA H 175 3.968 4.126 -0.158 1
1 1202 . 20 1 1 A 97 97 LEU C C 175 179.822 178.406 1.416 1
1 1203 . 20 1 1 A 97 97 LEU CA C 175 58.737 57.303 1.434 1
1 1204 . 20 1 1 A 97 97 LEU CB C 175 41.661 41.118 0.543 1
1 1208 . 20 1 1 A 97 97 LEU N N 175 120.724 120.294 0.430 1
1 1209 . 20 1 1 A 98 98 GLU H H 176 8.172 8.009 0.163 1
1 1210 . 20 1 1 A 98 98 GLU HA H 176 3.885 3.875 0.010 1
1 1215 . 20 1 1 A 98 98 GLU C C 176 180.447 178.284 2.163 1
1 1216 . 20 1 1 A 98 98 GLU CA C 176 58.870 59.217 -0.347 1
1 1217 . 20 1 1 A 98 98 GLU CB C 176 27.413 29.229 -1.816 1
1 1219 . 20 1 1 A 98 98 GLU N N 176 119.724 117.887 1.837 1
1 1220 . 20 1 1 A 99 99 PHE H H 177 8.542 7.877 0.665 1
1 1221 . 20 1 1 A 99 99 PHE HA H 177 3.819 4.104 -0.285 1
1 1229 . 20 1 1 A 99 99 PHE C C 177 176.805 177.076 -0.271 1
1 1230 . 20 1 1 A 99 99 PHE CA C 177 62.277 61.209 1.068 1
1 1231 . 20 1 1 A 99 99 PHE CB C 177 38.948 39.215 -0.267 1
1 1237 . 20 1 1 A 99 99 PHE N N 177 123.837 120.823 3.014 1
1 1238 . 20 1 1 A 100 100 LEU H H 178 8.532 8.406 0.126 1
1 1239 . 20 1 1 A 100 100 LEU HA H 178 4.028 4.105 -0.077 1
1 1249 . 20 1 1 A 100 100 LEU C C 178 179.884 179.313 0.571 1
1 1250 . 20 1 1 A 100 100 LEU CA C 178 58.046 58.105 -0.059 1
1 1251 . 20 1 1 A 100 100 LEU CB C 178 41.419 41.452 -0.033 1
1 1255 . 20 1 1 A 100 100 LEU N N 178 119.496 119.066 0.430 1
1 1256 . 20 1 1 A 101 101 GLU H H 179 8.769 8.100 0.669 1
1 1257 . 20 1 1 A 101 101 GLU HA H 179 4.043 3.922 0.121 1
1 1262 . 20 1 1 A 101 101 GLU C C 179 179.881 178.983 0.898 1
1 1263 . 20 1 1 A 101 101 GLU CA C 179 59.465 59.207 0.258 1
1 1264 . 20 1 1 A 101 101 GLU CB C 179 29.478 29.162 0.316 1
1 1266 . 20 1 1 A 101 101 GLU N N 179 120.825 120.338 0.487 1
1 1267 . 20 1 1 A 102 102 ASN H H 180 7.865 7.727 0.138 1
1 1268 . 20 1 1 A 102 102 ASN HA H 180 4.329 4.374 -0.045 1
1 1273 . 20 1 1 A 102 102 ASN C C 180 176.692 177.476 -0.784 1
1 1274 . 20 1 1 A 102 102 ASN CA C 180 57.537 55.709 1.828 1
1 1275 . 20 1 1 A 102 102 ASN CB C 180 40.085 38.268 1.817 1
1 1276 . 20 1 1 A 102 102 ASN N N 180 116.591 117.846 -1.255 1
1 1278 . 20 1 1 A 103 103 ALA H H 181 8.744 8.234 0.510 1
1 1279 . 20 1 1 A 103 103 ALA HA H 181 4.130 3.899 0.231 1
1 1283 . 20 1 1 A 103 103 ALA C C 181 179.546 179.539 0.007 1
1 1284 . 20 1 1 A 103 103 ALA CA C 181 55.148 54.937 0.211 1
1 1285 . 20 1 1 A 103 103 ALA CB C 181 18.154 18.370 -0.216 1
1 1286 . 20 1 1 A 103 103 ALA N N 181 122.431 122.300 0.131 1
1 1287 . 20 1 1 A 104 104 LYS H H 182 8.493 7.854 0.639 1
1 1288 . 20 1 1 A 104 104 LYS HA H 182 3.786 3.769 0.017 1
1 1297 . 20 1 1 A 104 104 LYS C C 182 180.012 179.208 0.804 1
1 1298 . 20 1 1 A 104 104 LYS CA C 182 58.547 59.252 -0.705 1
1 1299 . 20 1 1 A 104 104 LYS CB C 182 31.194 31.755 -0.561 1
1 1303 . 20 1 1 A 104 104 LYS N N 182 119.195 118.261 0.934 1
1 1304 . 20 1 1 A 105 105 LYS H H 183 7.661 7.615 0.046 1
1 1305 . 20 1 1 A 105 105 LYS HA H 183 4.111 4.086 0.025 1
1 1314 . 20 1 1 A 105 105 LYS C C 183 178.010 177.840 0.170 1
1 1315 . 20 1 1 A 105 105 LYS CA C 183 58.823 58.297 0.526 1
1 1316 . 20 1 1 A 105 105 LYS CB C 183 32.287 32.428 -0.141 1
1 1320 . 20 1 1 A 105 105 LYS N N 183 120.301 118.454 1.847 1
1 1321 . 20 1 1 A 106 106 LEU H H 184 7.403 7.191 0.212 1
1 1322 . 20 1 1 A 106 106 LEU HA H 184 4.385 4.400 -0.015 1
1 1331 . 20 1 1 A 106 106 LEU C C 184 176.332 176.103 0.229 1
1 1332 . 20 1 1 A 106 106 LEU CA C 184 54.857 54.406 0.451 1
1 1333 . 20 1 1 A 106 106 LEU CB C 184 42.054 41.913 0.141 1
1 1336 . 20 1 1 A 106 106 LEU N N 184 118.606 119.224 -0.618 1
1 1337 . 20 1 1 A 107 107 SER H H 185 8.123 7.920 0.203 1
1 1338 . 20 1 1 A 107 107 SER HA H 185 4.202 4.269 -0.067 1
1 1341 . 20 1 1 A 107 107 SER C C 185 174.826 174.616 0.210 1
1 1342 . 20 1 1 A 107 107 SER CA C 185 58.894 58.990 -0.096 1
1 1343 . 20 1 1 A 107 107 SER CB C 185 61.684 60.691 0.993 1
1 1344 . 20 1 1 A 107 107 SER N N 185 113.023 112.994 0.029 1
1 1345 . 20 1 1 A 108 108 MET H H 186 8.212 8.397 -0.185 1
1 1346 . 20 1 1 A 108 108 MET HA H 186 4.188 4.755 -0.567 1
1 1354 . 20 1 1 A 108 108 MET C C 186 174.495 174.157 0.338 1
1 1355 . 20 1 1 A 108 108 MET CA C 186 57.328 54.687 2.641 1
1 1356 . 20 1 1 A 108 108 MET CB C 186 33.414 33.091 0.323 1
1 1359 . 20 1 1 A 108 108 MET N N 186 117.267 117.148 0.119 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 105 0.978 1
2 1 1 1 "RMS(OBS, PRED)" CA 107 1.180 1
3 1 1 1 "RMS(OBS, PRED)" CB 103 1.041 1
4 1 1 1 "RMS(OBS, PRED)" H 100 0.549 1
5 1 1 1 "RMS(OBS, PRED)" HA 111 0.266 1
6 1 1 1 "RMS(OBS, PRED)" N 100 2.418 1
7 1 2 1 "RMS(OBS, PRED)" C 105 1.002 1
8 1 2 1 "RMS(OBS, PRED)" CA 107 1.231 1
9 1 2 1 "RMS(OBS, PRED)" CB 103 1.036 1
10 1 2 1 "RMS(OBS, PRED)" H 100 0.521 1
11 1 2 1 "RMS(OBS, PRED)" HA 111 0.288 1
12 1 2 1 "RMS(OBS, PRED)" N 100 2.806 1
13 1 3 1 "RMS(OBS, PRED)" C 105 0.949 1
14 1 3 1 "RMS(OBS, PRED)" CA 107 1.223 1
15 1 3 1 "RMS(OBS, PRED)" CB 103 1.069 1
16 1 3 1 "RMS(OBS, PRED)" H 100 0.572 1
17 1 3 1 "RMS(OBS, PRED)" HA 111 0.252 1
18 1 3 1 "RMS(OBS, PRED)" N 100 2.813 1
19 1 4 1 "RMS(OBS, PRED)" C 105 0.988 1
20 1 4 1 "RMS(OBS, PRED)" CA 107 1.175 1
21 1 4 1 "RMS(OBS, PRED)" CB 103 1.082 1
22 1 4 1 "RMS(OBS, PRED)" H 100 0.566 1
23 1 4 1 "RMS(OBS, PRED)" HA 111 0.254 1
24 1 4 1 "RMS(OBS, PRED)" N 100 2.675 1
25 1 5 1 "RMS(OBS, PRED)" C 105 1.016 1
26 1 5 1 "RMS(OBS, PRED)" CA 107 1.311 1
27 1 5 1 "RMS(OBS, PRED)" CB 103 1.113 1
28 1 5 1 "RMS(OBS, PRED)" H 100 0.564 1
29 1 5 1 "RMS(OBS, PRED)" HA 111 0.255 1
30 1 5 1 "RMS(OBS, PRED)" N 100 2.601 1
31 1 6 1 "RMS(OBS, PRED)" C 105 0.980 1
32 1 6 1 "RMS(OBS, PRED)" CA 107 1.202 1
33 1 6 1 "RMS(OBS, PRED)" CB 103 1.149 1
34 1 6 1 "RMS(OBS, PRED)" H 100 0.553 1
35 1 6 1 "RMS(OBS, PRED)" HA 111 0.265 1
36 1 6 1 "RMS(OBS, PRED)" N 100 2.685 1
37 1 7 1 "RMS(OBS, PRED)" C 105 1.056 1
38 1 7 1 "RMS(OBS, PRED)" CA 107 1.317 1
39 1 7 1 "RMS(OBS, PRED)" CB 103 1.084 1
40 1 7 1 "RMS(OBS, PRED)" H 100 0.570 1
41 1 7 1 "RMS(OBS, PRED)" HA 111 0.278 1
42 1 7 1 "RMS(OBS, PRED)" N 100 2.943 1
43 1 8 1 "RMS(OBS, PRED)" C 105 1.018 1
44 1 8 1 "RMS(OBS, PRED)" CA 107 1.211 1
45 1 8 1 "RMS(OBS, PRED)" CB 103 1.191 1
46 1 8 1 "RMS(OBS, PRED)" H 100 0.546 1
47 1 8 1 "RMS(OBS, PRED)" HA 111 0.271 1
48 1 8 1 "RMS(OBS, PRED)" N 100 2.564 1
49 1 9 1 "RMS(OBS, PRED)" C 105 1.018 1
50 1 9 1 "RMS(OBS, PRED)" CA 107 1.169 1
51 1 9 1 "RMS(OBS, PRED)" CB 103 1.116 1
52 1 9 1 "RMS(OBS, PRED)" H 100 0.527 1
53 1 9 1 "RMS(OBS, PRED)" HA 111 0.272 1
54 1 9 1 "RMS(OBS, PRED)" N 100 2.531 1
55 1 10 1 "RMS(OBS, PRED)" C 105 1.098 1
56 1 10 1 "RMS(OBS, PRED)" CA 107 1.207 1
57 1 10 1 "RMS(OBS, PRED)" CB 103 1.112 1
58 1 10 1 "RMS(OBS, PRED)" H 100 0.556 1
59 1 10 1 "RMS(OBS, PRED)" HA 111 0.269 1
60 1 10 1 "RMS(OBS, PRED)" N 100 2.467 1
61 1 11 1 "RMS(OBS, PRED)" C 105 1.064 1
62 1 11 1 "RMS(OBS, PRED)" CA 107 1.307 1
63 1 11 1 "RMS(OBS, PRED)" CB 103 1.178 1
64 1 11 1 "RMS(OBS, PRED)" H 100 0.566 1
65 1 11 1 "RMS(OBS, PRED)" HA 111 0.310 1
66 1 11 1 "RMS(OBS, PRED)" N 100 2.891 1
67 1 12 1 "RMS(OBS, PRED)" C 105 1.014 1
68 1 12 1 "RMS(OBS, PRED)" CA 107 1.210 1
69 1 12 1 "RMS(OBS, PRED)" CB 103 1.117 1
70 1 12 1 "RMS(OBS, PRED)" H 100 0.539 1
71 1 12 1 "RMS(OBS, PRED)" HA 111 0.272 1
72 1 12 1 "RMS(OBS, PRED)" N 100 2.569 1
73 1 13 1 "RMS(OBS, PRED)" C 105 1.017 1
74 1 13 1 "RMS(OBS, PRED)" CA 107 1.261 1
75 1 13 1 "RMS(OBS, PRED)" CB 103 1.064 1
76 1 13 1 "RMS(OBS, PRED)" H 100 0.541 1
77 1 13 1 "RMS(OBS, PRED)" HA 111 0.279 1
78 1 13 1 "RMS(OBS, PRED)" N 100 2.558 1
79 1 14 1 "RMS(OBS, PRED)" C 105 0.975 1
80 1 14 1 "RMS(OBS, PRED)" CA 107 1.165 1
81 1 14 1 "RMS(OBS, PRED)" CB 103 1.087 1
82 1 14 1 "RMS(OBS, PRED)" H 100 0.521 1
83 1 14 1 "RMS(OBS, PRED)" HA 111 0.239 1
84 1 14 1 "RMS(OBS, PRED)" N 100 2.612 1
85 1 15 1 "RMS(OBS, PRED)" C 105 1.048 1
86 1 15 1 "RMS(OBS, PRED)" CA 107 1.180 1
87 1 15 1 "RMS(OBS, PRED)" CB 103 1.260 1
88 1 15 1 "RMS(OBS, PRED)" H 100 0.549 1
89 1 15 1 "RMS(OBS, PRED)" HA 111 0.265 1
90 1 15 1 "RMS(OBS, PRED)" N 100 2.682 1
91 1 16 1 "RMS(OBS, PRED)" C 105 1.059 1
92 1 16 1 "RMS(OBS, PRED)" CA 107 1.113 1
93 1 16 1 "RMS(OBS, PRED)" CB 103 1.080 1
94 1 16 1 "RMS(OBS, PRED)" H 100 0.543 1
95 1 16 1 "RMS(OBS, PRED)" HA 111 0.263 1
96 1 16 1 "RMS(OBS, PRED)" N 100 2.788 1
97 1 17 1 "RMS(OBS, PRED)" C 105 1.045 1
98 1 17 1 "RMS(OBS, PRED)" CA 107 1.228 1
99 1 17 1 "RMS(OBS, PRED)" CB 103 1.064 1
100 1 17 1 "RMS(OBS, PRED)" H 100 0.546 1
101 1 17 1 "RMS(OBS, PRED)" HA 111 0.271 1
102 1 17 1 "RMS(OBS, PRED)" N 100 2.746 1
103 1 18 1 "RMS(OBS, PRED)" C 105 1.065 1
104 1 18 1 "RMS(OBS, PRED)" CA 107 1.197 1
105 1 18 1 "RMS(OBS, PRED)" CB 103 1.046 1
106 1 18 1 "RMS(OBS, PRED)" H 100 0.547 1
107 1 18 1 "RMS(OBS, PRED)" HA 111 0.286 1
108 1 18 1 "RMS(OBS, PRED)" N 100 2.865 1
109 1 19 1 "RMS(OBS, PRED)" C 105 1.038 1
110 1 19 1 "RMS(OBS, PRED)" CA 107 1.284 1
111 1 19 1 "RMS(OBS, PRED)" CB 103 1.100 1
112 1 19 1 "RMS(OBS, PRED)" H 100 0.538 1
113 1 19 1 "RMS(OBS, PRED)" HA 111 0.295 1
114 1 19 1 "RMS(OBS, PRED)" N 100 2.472 1
115 1 20 1 "RMS(OBS, PRED)" C 105 1.127 1
116 1 20 1 "RMS(OBS, PRED)" CA 107 1.251 1
117 1 20 1 "RMS(OBS, PRED)" CB 103 1.138 1
118 1 20 1 "RMS(OBS, PRED)" H 100 0.531 1
119 1 20 1 "RMS(OBS, PRED)" HA 111 0.297 1
120 1 20 1 "RMS(OBS, PRED)" N 100 2.517 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 4 . 1 1 A 2 2 SER HA H 80 4.477 4.720 -0.243 2
1 7 . 1 1 A 2 2 SER CA C 80 58.344 58.572 -0.228 2
1 8 . 1 1 A 2 2 SER CB C 80 64.002 63.959 0.043 2
1 9 . 1 1 A 3 3 HIS HA H 81 4.614 4.740 -0.126 2
1 13 . 1 1 A 3 3 HIS C C 81 174.681 174.159 0.522 2
1 14 . 1 1 A 3 3 HIS CA C 81 56.231 56.074 0.157 2
1 15 . 1 1 A 3 3 HIS CB C 81 29.839 30.473 -0.634 2
1 17 . 1 1 A 4 4 MET H H 82 8.285 8.095 0.190 2
1 18 . 1 1 A 4 4 MET HA H 82 4.416 4.724 -0.308 2
1 26 . 1 1 A 4 4 MET C C 82 175.286 174.283 1.003 2
1 27 . 1 1 A 4 4 MET CA C 82 55.165 54.594 0.571 2
1 28 . 1 1 A 4 4 MET CB C 82 32.988 35.234 -2.246 2
1 31 . 1 1 A 4 4 MET N N 82 121.559 119.791 1.768 2
1 32 . 1 1 A 5 5 ASP H H 83 8.362 8.738 -0.376 2
1 33 . 1 1 A 5 5 ASP HA H 83 4.844 5.031 -0.187 2
1 36 . 1 1 A 5 5 ASP C C 83 175.239 175.694 -0.455 2
1 37 . 1 1 A 5 5 ASP CA C 83 52.238 51.139 1.099 2
1 38 . 1 1 A 5 5 ASP CB C 83 41.471 41.837 -0.366 2
1 39 . 1 1 A 5 5 ASP N N 83 124.060 123.005 1.055 2
1 40 . 1 1 A 6 6 PRO HA H 84 4.327 4.488 -0.161 2
1 47 . 1 1 A 6 6 PRO C C 84 177.388 177.379 0.009 2
1 48 . 1 1 A 6 6 PRO CA C 84 64.084 64.234 -0.150 2
1 49 . 1 1 A 6 6 PRO CB C 84 32.022 31.898 0.124 2
1 52 . 1 1 A 7 7 ALA H H 85 8.406 7.964 0.442 2
1 53 . 1 1 A 7 7 ALA HA H 85 4.239 4.323 -0.084 2
1 57 . 1 1 A 7 7 ALA C C 85 178.462 177.827 0.635 2
1 58 . 1 1 A 7 7 ALA CA C 85 53.223 53.545 -0.322 2
1 59 . 1 1 A 7 7 ALA CB C 85 18.801 19.361 -0.560 2
1 60 . 1 1 A 7 7 ALA N N 85 121.868 119.658 2.210 2
1 61 . 1 1 A 8 8 GLN H H 86 7.985 7.788 0.197 2
1 62 . 1 1 A 8 8 GLN HA H 86 4.264 4.224 0.040 2
1 69 . 1 1 A 8 8 GLN C C 86 176.124 176.488 -0.364 2
1 70 . 1 1 A 8 8 GLN CA C 86 56.101 56.537 -0.436 2
1 71 . 1 1 A 8 8 GLN CB C 86 29.456 27.634 1.822 2
1 73 . 1 1 A 8 8 GLN N N 86 117.727 115.576 2.151 2
1 75 . 1 1 A 9 9 LEU H H 87 8.102 7.893 0.209 2
1 76 . 1 1 A 9 9 LEU HA H 87 4.394 4.162 0.232 2
1 86 . 1 1 A 9 9 LEU C C 87 177.923 178.533 -0.610 2
1 87 . 1 1 A 9 9 LEU CA C 87 55.454 56.887 -1.433 2
1 88 . 1 1 A 9 9 LEU CB C 87 42.188 41.774 0.414 2
1 92 . 1 1 A 9 9 LEU N N 87 122.045 118.346 3.699 2
1 93 . 1 1 A 10 10 THR H H 88 7.902 8.134 -0.232 2
1 94 . 1 1 A 10 10 THR HA H 88 4.258 3.934 0.324 2
1 99 . 1 1 A 10 10 THR C C 88 175.742 176.709 -0.967 2
1 100 . 1 1 A 10 10 THR CA C 88 62.974 66.241 -3.267 2
1 101 . 1 1 A 10 10 THR CB C 88 69.759 68.390 1.369 2
1 103 . 1 1 A 10 10 THR N N 88 113.859 113.352 0.507 2
1 104 . 1 1 A 11 11 GLU H H 89 8.594 8.484 0.110 2
1 105 . 1 1 A 11 11 GLU HA H 89 4.213 3.978 0.235 2
1 110 . 1 1 A 11 11 GLU C C 89 177.577 178.677 -1.100 2
1 111 . 1 1 A 11 11 GLU CA C 89 58.496 59.771 -1.275 2
1 112 . 1 1 A 11 11 GLU CB C 89 29.751 29.233 0.517 2
1 114 . 1 1 A 11 11 GLU N N 89 122.144 121.473 0.671 2
1 115 . 1 1 A 12 12 ASP H H 90 8.244 7.883 0.361 2
1 116 . 1 1 A 12 12 ASP HA H 90 4.419 4.431 -0.012 2
1 119 . 1 1 A 12 12 ASP C C 90 178.623 178.615 0.008 2
1 120 . 1 1 A 12 12 ASP CA C 90 56.589 57.340 -0.752 2
1 121 . 1 1 A 12 12 ASP CB C 90 40.332 40.998 -0.666 2
1 122 . 1 1 A 12 12 ASP N N 90 119.922 119.745 0.177 2
1 123 . 1 1 A 13 13 ILE H H 91 8.092 7.939 0.153 2
1 124 . 1 1 A 13 13 ILE HA H 91 3.987 3.628 0.359 2
1 134 . 1 1 A 13 13 ILE C C 91 177.124 178.317 -1.193 2
1 135 . 1 1 A 13 13 ILE CA C 91 63.562 65.151 -1.589 2
1 136 . 1 1 A 13 13 ILE CB C 91 37.830 37.513 0.317 2
1 140 . 1 1 A 13 13 ILE N N 91 122.909 119.484 3.425 2
1 141 . 1 1 A 14 14 THR H H 92 8.045 8.668 -0.623 2
1 142 . 1 1 A 14 14 THR HA H 92 4.040 3.950 0.090 2
1 147 . 1 1 A 14 14 THR C C 92 177.358 176.927 0.431 2
1 148 . 1 1 A 14 14 THR CA C 92 66.244 65.571 0.673 2
1 149 . 1 1 A 14 14 THR CB C 92 68.629 69.002 -0.373 2
1 151 . 1 1 A 14 14 THR N N 92 116.529 114.537 1.992 2
1 152 . 1 1 A 15 15 ARG H H 93 7.984 8.188 -0.204 2
1 153 . 1 1 A 15 15 ARG HA H 93 3.974 3.942 0.032 2
1 161 . 1 1 A 15 15 ARG C C 93 177.719 177.998 -0.279 2
1 162 . 1 1 A 15 15 ARG CA C 93 60.312 59.563 0.749 2
1 163 . 1 1 A 15 15 ARG CB C 93 30.591 29.736 0.855 2
1 166 . 1 1 A 15 15 ARG N N 93 121.521 120.940 0.581 2
1 167 . 1 1 A 16 16 TYR H H 94 7.948 7.901 0.047 2
1 168 . 1 1 A 16 16 TYR HA H 94 4.045 4.246 -0.201 2
1 175 . 1 1 A 16 16 TYR C C 94 177.690 177.182 0.508 2
1 176 . 1 1 A 16 16 TYR CA C 94 61.568 61.376 0.192 2
1 177 . 1 1 A 16 16 TYR CB C 94 37.543 38.502 -0.959 2
1 182 . 1 1 A 16 16 TYR N N 94 120.911 120.504 0.407 2
1 183 . 1 1 A 17 17 TYR H H 95 8.143 7.986 0.157 2
1 184 . 1 1 A 17 17 TYR HA H 95 4.049 4.045 0.004 2
1 191 . 1 1 A 17 17 TYR C C 95 179.000 178.256 0.744 2
1 192 . 1 1 A 17 17 TYR CA C 95 61.454 61.347 0.107 2
1 193 . 1 1 A 17 17 TYR CB C 95 37.483 37.584 -0.101 2
1 198 . 1 1 A 17 17 TYR N N 95 117.066 118.000 -0.934 2
1 199 . 1 1 A 18 18 LEU H H 96 7.976 8.572 -0.596 2
1 200 . 1 1 A 18 18 LEU HA H 96 4.203 4.058 0.145 2
1 210 . 1 1 A 18 18 LEU C C 96 178.998 178.384 0.614 2
1 211 . 1 1 A 18 18 LEU CA C 96 58.097 58.002 0.095 2
1 212 . 1 1 A 18 18 LEU CB C 96 41.814 41.798 0.016 2
1 216 . 1 1 A 18 18 LEU N N 96 123.012 121.207 1.804 2
1 217 . 1 1 A 19 19 CYS H H 97 8.163 8.509 -0.346 2
1 218 . 1 1 A 19 19 CYS HA H 97 3.783 4.034 -0.251 2
1 221 . 1 1 A 19 19 CYS C C 97 176.663 177.068 -0.405 2
1 222 . 1 1 A 19 19 CYS CA C 97 64.973 63.077 1.896 2
1 223 . 1 1 A 19 19 CYS CB C 97 25.966 27.181 -1.215 2
1 224 . 1 1 A 19 19 CYS N N 97 117.202 117.576 -0.374 2
1 225 . 1 1 A 20 20 LEU H H 98 7.863 8.027 -0.164 2
1 226 . 1 1 A 20 20 LEU HA H 98 3.681 3.796 -0.115 2
1 236 . 1 1 A 20 20 LEU C C 98 179.392 179.305 0.087 2
1 237 . 1 1 A 20 20 LEU CA C 98 58.319 58.047 0.272 2
1 238 . 1 1 A 20 20 LEU CB C 98 41.944 41.243 0.701 2
1 242 . 1 1 A 20 20 LEU N N 98 118.833 120.697 -1.863 2
1 243 . 1 1 A 21 21 GLN H H 99 7.658 7.956 -0.298 2
1 244 . 1 1 A 21 21 GLN HA H 99 3.909 4.002 -0.093 2
1 251 . 1 1 A 21 21 GLN C C 99 178.326 178.726 -0.400 2
1 252 . 1 1 A 21 21 GLN CA C 99 58.704 58.570 0.134 2
1 253 . 1 1 A 21 21 GLN CB C 99 28.630 28.285 0.345 2
1 255 . 1 1 A 21 21 GLN N N 99 118.958 118.002 0.956 2
1 257 . 1 1 A 22 22 LEU H H 100 8.214 8.542 -0.328 2
1 258 . 1 1 A 22 22 LEU HA H 100 4.150 4.004 0.146 2
1 268 . 1 1 A 22 22 LEU C C 100 179.438 179.214 0.224 2
1 269 . 1 1 A 22 22 LEU CA C 100 58.320 57.825 0.495 2
1 270 . 1 1 A 22 22 LEU CB C 100 42.816 41.578 1.238 2
1 274 . 1 1 A 22 22 LEU N N 100 119.829 119.957 -0.128 2
1 275 . 1 1 A 23 23 ARG H H 101 8.722 8.454 0.268 2
1 276 . 1 1 A 23 23 ARG HA H 101 3.946 4.027 -0.081 2
1 284 . 1 1 A 23 23 ARG C C 101 179.448 178.843 0.605 2
1 285 . 1 1 A 23 23 ARG CA C 101 60.910 59.331 1.579 2
1 286 . 1 1 A 23 23 ARG CB C 101 29.853 29.731 0.122 2
1 288 . 1 1 A 23 23 ARG N N 101 117.690 119.271 -1.581 2
1 289 . 1 1 A 24 24 GLN H H 102 7.804 7.847 -0.043 2
1 290 . 1 1 A 24 24 GLN HA H 102 4.015 4.051 -0.036 2
1 297 . 1 1 A 24 24 GLN C C 102 178.951 178.406 0.545 2
1 298 . 1 1 A 24 24 GLN CA C 102 58.785 58.638 0.147 2
1 299 . 1 1 A 24 24 GLN CB C 102 28.263 28.155 0.108 2
1 301 . 1 1 A 24 24 GLN N N 102 117.686 118.310 -0.624 2
1 303 . 1 1 A 25 25 ASP H H 103 8.393 7.866 0.527 2
1 304 . 1 1 A 25 25 ASP HA H 103 4.414 4.489 -0.075 2
1 307 . 1 1 A 25 25 ASP C C 103 179.476 178.895 0.581 2
1 308 . 1 1 A 25 25 ASP CA C 103 57.753 57.415 0.338 2
1 309 . 1 1 A 25 25 ASP CB C 103 40.432 40.849 -0.417 2
1 310 . 1 1 A 25 25 ASP N N 103 122.118 120.076 2.042 2
1 311 . 1 1 A 26 26 ILE H H 104 8.737 7.697 1.040 2
1 312 . 1 1 A 26 26 ILE HA H 104 3.761 3.652 0.109 2
1 320 . 1 1 A 26 26 ILE C C 104 180.320 178.017 2.303 2
1 321 . 1 1 A 26 26 ILE CA C 104 65.902 65.121 0.781 2
1 322 . 1 1 A 26 26 ILE CB C 104 38.826 37.924 0.902 2
1 325 . 1 1 A 26 26 ILE N N 104 122.668 120.482 2.186 2
1 326 . 1 1 A 27 27 VAL H H 105 7.923 7.787 0.136 2
1 327 . 1 1 A 27 27 VAL HA H 105 3.077 3.899 -0.822 2
1 335 . 1 1 A 27 27 VAL C C 105 176.073 177.598 -1.525 2
1 336 . 1 1 A 27 27 VAL CA C 105 67.080 64.722 2.358 2
1 337 . 1 1 A 27 27 VAL CB C 105 31.450 31.549 -0.099 2
1 340 . 1 1 A 27 27 VAL N N 105 121.194 116.683 4.511 2
1 341 . 1 1 A 28 28 ALA H H 106 7.892 7.175 0.717 2
1 342 . 1 1 A 28 28 ALA HA H 106 4.286 4.335 -0.049 2
1 346 . 1 1 A 28 28 ALA C C 106 178.366 177.766 0.600 2
1 347 . 1 1 A 28 28 ALA CA C 106 52.572 52.020 0.552 2
1 348 . 1 1 A 28 28 ALA CB C 106 19.616 19.491 0.125 2
1 349 . 1 1 A 28 28 ALA N N 106 117.103 121.761 -4.658 2
1 350 . 1 1 A 29 29 GLY H H 107 7.670 8.074 -0.404 2
1 351 . 1 1 A 29 29 GLY HA2 H 107 4.181 3.930 0.251 2
1 352 . 1 1 A 29 29 GLY HA3 H 107 3.924 3.932 -0.008 2
1 353 . 1 1 A 29 29 GLY C C 107 174.596 175.042 -0.446 2
1 354 . 1 1 A 29 29 GLY CA C 107 45.157 46.536 -1.379 2
1 355 . 1 1 A 29 29 GLY N N 107 105.038 107.086 -2.048 2
1 356 . 1 1 A 30 30 ARG H H 108 7.972 8.250 -0.278 2
1 357 . 1 1 A 30 30 ARG HA H 108 4.185 4.316 -0.131 2
1 365 . 1 1 A 30 30 ARG C C 108 175.874 175.431 0.443 2
1 366 . 1 1 A 30 30 ARG CA C 108 57.987 56.738 1.249 2
1 367 . 1 1 A 30 30 ARG CB C 108 31.218 30.891 0.327 2
1 370 . 1 1 A 30 30 ARG N N 108 118.333 119.675 -1.342 2
1 371 . 1 1 A 31 31 LEU H H 109 6.696 7.511 -0.815 2
1 372 . 1 1 A 31 31 LEU HA H 109 4.939 4.780 0.159 2
1 382 . 1 1 A 31 31 LEU C C 109 173.324 174.193 -0.869 2
1 383 . 1 1 A 31 31 LEU CA C 109 50.930 51.576 -0.646 2
1 384 . 1 1 A 31 31 LEU CB C 109 43.480 45.311 -1.831 2
1 388 . 1 1 A 31 31 LEU N N 109 118.681 119.649 -0.968 2
1 389 . 1 1 A 32 32 PRO HA H 110 4.411 4.713 -0.302 2
1 396 . 1 1 A 32 32 PRO C C 110 176.694 176.079 0.615 2
1 397 . 1 1 A 32 32 PRO CA C 110 63.123 62.918 0.205 2
1 398 . 1 1 A 32 32 PRO CB C 110 32.022 31.868 0.154 2
1 401 . 1 1 A 33 33 CYS H H 111 8.273 8.533 -0.260 2
1 402 . 1 1 A 33 33 CYS HA H 111 4.834 5.025 -0.191 2
1 405 . 1 1 A 33 33 CYS C C 111 173.523 173.043 0.480 2
1 406 . 1 1 A 33 33 CYS CA C 111 57.890 58.012 -0.122 2
1 407 . 1 1 A 33 33 CYS CB C 111 32.282 32.776 -0.494 2
1 408 . 1 1 A 33 33 CYS N N 111 119.113 122.414 -3.301 2
1 409 . 1 1 A 34 34 SER H H 112 8.738 8.706 0.033 2
1 410 . 1 1 A 34 34 SER HA H 112 4.527 4.907 -0.380 2
1 413 . 1 1 A 34 34 SER C C 112 173.709 175.358 -1.649 2
1 414 . 1 1 A 34 34 SER CA C 112 57.256 56.715 0.541 2
1 415 . 1 1 A 34 34 SER CB C 112 65.433 65.588 -0.155 2
1 416 . 1 1 A 34 34 SER N N 112 118.212 117.025 1.187 2
1 417 . 1 1 A 35 35 PHE H H 113 9.027 9.304 -0.277 2
1 418 . 1 1 A 35 35 PHE HA H 113 4.047 4.070 -0.023 2
1 426 . 1 1 A 35 35 PHE C C 113 176.433 177.194 -0.761 2
1 427 . 1 1 A 35 35 PHE CA C 113 62.623 62.699 -0.076 2
1 428 . 1 1 A 35 35 PHE CB C 113 39.128 39.739 -0.611 2
1 434 . 1 1 A 35 35 PHE N N 113 122.209 124.508 -2.299 2
1 435 . 1 1 A 36 36 ALA H H 114 8.631 8.339 0.292 2
1 436 . 1 1 A 36 36 ALA HA H 114 3.926 4.022 -0.096 2
1 440 . 1 1 A 36 36 ALA C C 114 181.064 179.943 1.121 2
1 441 . 1 1 A 36 36 ALA CA C 114 55.300 55.205 0.095 2
1 442 . 1 1 A 36 36 ALA CB C 114 18.423 18.407 0.016 2
1 443 . 1 1 A 36 36 ALA N N 114 118.977 121.160 -2.183 2
1 444 . 1 1 A 37 37 THR H H 115 7.886 7.925 -0.038 2
1 445 . 1 1 A 37 37 THR HA H 115 3.859 3.951 -0.092 2
1 450 . 1 1 A 37 37 THR C C 115 175.630 176.580 -0.950 2
1 451 . 1 1 A 37 37 THR CA C 115 66.294 66.872 -0.578 2
1 452 . 1 1 A 37 37 THR CB C 115 68.298 68.016 0.282 2
1 454 . 1 1 A 37 37 THR N N 115 117.602 114.676 2.926 2
1 455 . 1 1 A 38 38 LEU H H 116 8.740 8.207 0.533 2
1 456 . 1 1 A 38 38 LEU HA H 116 3.904 3.911 -0.007 2
1 466 . 1 1 A 38 38 LEU C C 116 180.666 179.176 1.490 2
1 467 . 1 1 A 38 38 LEU CA C 116 58.166 57.875 0.291 2
1 468 . 1 1 A 38 38 LEU CB C 116 43.034 41.354 1.680 2
1 472 . 1 1 A 38 38 LEU N N 116 122.945 121.257 1.688 2
1 473 . 1 1 A 39 39 ALA H H 117 8.151 8.157 -0.006 2
1 474 . 1 1 A 39 39 ALA HA H 117 3.776 3.881 -0.105 2
1 478 . 1 1 A 39 39 ALA C C 117 178.461 179.763 -1.302 2
1 479 . 1 1 A 39 39 ALA CA C 117 53.839 54.890 -1.051 2
1 480 . 1 1 A 39 39 ALA CB C 117 17.406 18.055 -0.649 2
1 481 . 1 1 A 39 39 ALA N N 117 120.752 121.545 -0.793 2
1 482 . 1 1 A 40 40 LEU H H 118 7.801 8.058 -0.257 2
1 483 . 1 1 A 40 40 LEU HA H 118 3.892 4.014 -0.122 2
1 492 . 1 1 A 40 40 LEU C C 118 180.428 178.538 1.890 2
1 493 . 1 1 A 40 40 LEU CA C 118 57.978 57.897 0.081 2
1 494 . 1 1 A 40 40 LEU CB C 118 42.699 41.935 0.764 2
1 497 . 1 1 A 40 40 LEU N N 118 119.699 120.193 -0.494 2
1 498 . 1 1 A 41 41 LEU H H 119 9.153 8.855 0.298 2
1 499 . 1 1 A 41 41 LEU HA H 119 4.181 4.409 -0.228 2
1 509 . 1 1 A 41 41 LEU C C 119 179.132 179.335 -0.203 2
1 510 . 1 1 A 41 41 LEU CA C 119 58.696 58.316 0.380 2
1 511 . 1 1 A 41 41 LEU CB C 119 39.102 41.866 -2.764 2
1 515 . 1 1 A 41 41 LEU N N 119 118.687 119.285 -0.598 2
1 516 . 1 1 A 42 42 GLY H H 120 8.253 8.142 0.111 2
1 517 . 1 1 A 42 42 GLY HA2 H 120 4.016 3.748 0.268 2
1 518 . 1 1 A 42 42 GLY HA3 H 120 3.610 3.765 -0.155 2
1 519 . 1 1 A 42 42 GLY C C 120 175.046 176.271 -1.225 2
1 520 . 1 1 A 42 42 GLY CA C 120 48.060 47.441 0.620 2
1 521 . 1 1 A 42 42 GLY N N 120 106.562 106.912 -0.350 2
1 522 . 1 1 A 43 43 SER H H 121 8.456 8.358 0.098 2
1 523 . 1 1 A 43 43 SER HA H 121 3.928 4.107 -0.179 2
1 526 . 1 1 A 43 43 SER C C 121 175.318 176.372 -1.054 2
1 527 . 1 1 A 43 43 SER CA C 121 62.651 62.374 0.277 2
1 528 . 1 1 A 43 43 SER CB C 121 62.722 63.081 -0.359 2
1 529 . 1 1 A 43 43 SER N N 121 117.787 118.157 -0.370 2
1 530 . 1 1 A 44 44 TYR H H 122 7.311 7.593 -0.282 2
1 531 . 1 1 A 44 44 TYR HA H 122 4.635 4.286 0.349 2
1 538 . 1 1 A 44 44 TYR C C 122 178.731 178.235 0.496 2
1 539 . 1 1 A 44 44 TYR CA C 122 61.704 60.594 1.110 2
1 540 . 1 1 A 44 44 TYR CB C 122 38.809 38.034 0.775 2
1 545 . 1 1 A 44 44 TYR N N 122 123.923 120.116 3.807 2
1 546 . 1 1 A 45 45 THR H H 123 8.748 8.109 0.639 2
1 547 . 1 1 A 45 45 THR HA H 123 3.747 3.964 -0.217 2
1 552 . 1 1 A 45 45 THR C C 123 175.781 176.632 -0.851 2
1 553 . 1 1 A 45 45 THR CA C 123 67.015 67.036 -0.021 2
1 554 . 1 1 A 45 45 THR CB C 123 67.670 68.047 -0.377 2
1 556 . 1 1 A 45 45 THR N N 123 121.374 115.133 6.241 2
1 557 . 1 1 A 46 46 ILE H H 124 8.131 8.030 0.101 2
1 558 . 1 1 A 46 46 ILE HA H 124 3.161 3.136 0.025 2
1 568 . 1 1 A 46 46 ILE C C 124 177.130 177.828 -0.698 2
1 569 . 1 1 A 46 46 ILE CA C 124 62.478 65.404 -2.926 2
1 570 . 1 1 A 46 46 ILE CB C 124 35.268 37.589 -2.321 2
1 574 . 1 1 A 46 46 ILE N N 124 119.593 121.550 -1.957 2
1 575 . 1 1 A 47 47 GLN H H 125 7.871 7.905 -0.034 2
1 576 . 1 1 A 47 47 GLN HA H 125 4.110 3.661 0.449 2
1 583 . 1 1 A 47 47 GLN C C 125 178.150 177.832 0.318 2
1 584 . 1 1 A 47 47 GLN CA C 125 58.333 58.376 -0.043 2
1 585 . 1 1 A 47 47 GLN CB C 125 27.448 27.955 -0.507 2
1 587 . 1 1 A 47 47 GLN N N 125 121.155 120.272 0.883 2
1 589 . 1 1 A 48 48 SER H H 126 8.194 7.958 0.236 2
1 590 . 1 1 A 48 48 SER HA H 126 4.055 4.197 -0.142 2
1 593 . 1 1 A 48 48 SER C C 126 176.209 176.576 -0.367 2
1 594 . 1 1 A 48 48 SER CA C 126 60.823 61.142 -0.319 2
1 595 . 1 1 A 48 48 SER CB C 126 63.592 63.006 0.586 2
1 596 . 1 1 A 48 48 SER N N 126 111.964 115.177 -3.213 2
1 597 . 1 1 A 49 49 GLU H H 127 8.009 8.012 -0.003 2
1 598 . 1 1 A 49 49 GLU HA H 127 4.296 4.198 0.098 2
1 603 . 1 1 A 49 49 GLU C C 127 178.319 178.006 0.313 2
1 604 . 1 1 A 49 49 GLU CA C 127 58.376 58.599 -0.223 2
1 605 . 1 1 A 49 49 GLU CB C 127 30.928 30.088 0.840 2
1 607 . 1 1 A 49 49 GLU N N 127 116.052 121.285 -5.233 2
1 608 . 1 1 A 50 50 LEU H H 128 8.916 8.427 0.489 2
1 609 . 1 1 A 50 50 LEU HA H 128 4.549 4.523 0.026 2
1 619 . 1 1 A 50 50 LEU C C 128 178.447 177.343 1.104 2
1 620 . 1 1 A 50 50 LEU CA C 128 55.159 54.541 0.618 2
1 621 . 1 1 A 50 50 LEU CB C 128 43.500 42.665 0.835 2
1 625 . 1 1 A 50 50 LEU N N 128 117.044 116.780 0.264 2
1 626 . 1 1 A 51 51 GLY H H 129 7.710 8.033 -0.323 2
1 627 . 1 1 A 51 51 GLY HA2 H 129 4.261 4.040 0.221 2
1 628 . 1 1 A 51 51 GLY HA3 H 129 3.994 4.052 -0.058 2
1 629 . 1 1 A 51 51 GLY C C 129 172.406 173.501 -1.095 2
1 630 . 1 1 A 51 51 GLY CA C 129 44.162 46.030 -1.868 2
1 631 . 1 1 A 51 51 GLY N N 129 109.110 106.798 2.312 2
1 632 . 1 1 A 52 52 ASP H H 130 8.131 8.447 -0.316 2
1 633 . 1 1 A 52 52 ASP HA H 130 4.577 5.083 -0.506 2
1 636 . 1 1 A 52 52 ASP C C 130 176.862 175.166 1.696 2
1 637 . 1 1 A 52 52 ASP CA C 130 54.581 53.964 0.617 2
1 638 . 1 1 A 52 52 ASP CB C 130 41.028 42.746 -1.718 2
1 639 . 1 1 A 52 52 ASP N N 130 118.844 123.044 -4.200 2
1 640 . 1 1 A 53 53 TYR H H 131 8.732 8.888 -0.156 2
1 641 . 1 1 A 53 53 TYR HA H 131 4.410 4.428 -0.018 2
1 648 . 1 1 A 53 53 TYR C C 131 174.929 174.171 0.758 2
1 649 . 1 1 A 53 53 TYR CA C 131 58.452 58.453 -0.001 2
1 650 . 1 1 A 53 53 TYR CB C 131 37.536 39.092 -1.556 2
1 655 . 1 1 A 53 53 TYR N N 131 121.518 123.092 -1.574 2
1 656 . 1 1 A 54 54 ASP H H 132 9.981 8.040 1.941 2
1 657 . 1 1 A 54 54 ASP HA H 132 4.652 5.215 -0.563 2
1 660 . 1 1 A 54 54 ASP CA C 132 49.843 51.162 -1.319 2
1 661 . 1 1 A 54 54 ASP CB C 132 42.737 41.711 1.026 2
1 662 . 1 1 A 54 54 ASP N N 132 132.995 127.392 5.603 2
1 663 . 1 1 A 55 55 PRO HA H 133 4.117 4.386 -0.269 2
1 670 . 1 1 A 55 55 PRO C C 133 178.353 178.100 0.253 2
1 671 . 1 1 A 55 55 PRO CA C 133 64.216 64.612 -0.396 2
1 672 . 1 1 A 55 55 PRO CB C 133 32.133 32.062 0.071 2
1 675 . 1 1 A 56 56 GLU H H 134 7.968 8.998 -1.030 2
1 676 . 1 1 A 56 56 GLU HA H 134 4.047 4.056 -0.009 2
1 681 . 1 1 A 56 56 GLU C C 134 177.001 178.403 -1.402 2
1 682 . 1 1 A 56 56 GLU CA C 134 57.984 58.800 -0.816 2
1 683 . 1 1 A 56 56 GLU CB C 134 29.667 28.574 1.093 2
1 685 . 1 1 A 56 56 GLU N N 134 116.491 116.443 0.048 2
1 686 . 1 1 A 57 57 LEU H H 135 7.137 7.560 -0.423 2
1 687 . 1 1 A 57 57 LEU HA H 135 4.186 4.174 0.012 2
1 697 . 1 1 A 57 57 LEU C C 135 177.695 176.865 0.830 2
1 698 . 1 1 A 57 57 LEU CA C 135 55.372 56.143 -0.771 2
1 699 . 1 1 A 57 57 LEU CB C 135 43.889 43.054 0.835 2
1 703 . 1 1 A 57 57 LEU N N 135 118.254 119.090 -0.836 2
1 704 . 1 1 A 58 58 HIS H H 136 8.121 7.746 0.375 2
1 705 . 1 1 A 58 58 HIS HA H 136 4.560 4.726 -0.166 2
1 709 . 1 1 A 58 58 HIS C C 136 176.135 174.670 1.465 2
1 710 . 1 1 A 58 58 HIS CA C 136 56.134 55.948 0.186 2
1 711 . 1 1 A 58 58 HIS CB C 136 31.534 31.117 0.417 2
1 713 . 1 1 A 58 58 HIS N N 136 120.254 114.787 5.467 2
1 714 . 1 1 A 59 59 GLY H H 137 7.890 8.339 -0.449 2
1 715 . 1 1 A 59 59 GLY HA2 H 137 4.166 4.088 0.078 2
1 716 . 1 1 A 59 59 GLY HA3 H 137 3.990 4.149 -0.159 2
1 717 . 1 1 A 59 59 GLY C C 137 175.021 173.556 1.465 2
1 718 . 1 1 A 59 59 GLY CA C 137 45.431 45.512 -0.081 2
1 719 . 1 1 A 59 59 GLY N N 137 108.183 107.816 0.367 2
1 720 . 1 1 A 60 60 VAL H H 138 8.519 8.462 0.057 2
1 721 . 1 1 A 60 60 VAL HA H 138 4.503 4.162 0.341 2
1 729 . 1 1 A 60 60 VAL C C 138 176.419 175.048 1.371 2
1 730 . 1 1 A 60 60 VAL CA C 138 62.905 61.536 1.369 2
1 731 . 1 1 A 60 60 VAL CB C 138 32.421 33.741 -1.320 2
1 734 . 1 1 A 60 60 VAL N N 138 116.738 119.650 -2.912 2
1 735 . 1 1 A 61 61 ASP H H 139 8.525 8.266 0.259 2
1 736 . 1 1 A 61 61 ASP HA H 139 4.959 4.502 0.457 2
1 739 . 1 1 A 61 61 ASP C C 139 177.816 176.347 1.469 2
1 740 . 1 1 A 61 61 ASP CA C 139 54.278 54.550 -0.272 2
1 741 . 1 1 A 61 61 ASP CB C 139 40.771 40.546 0.225 2
1 742 . 1 1 A 61 61 ASP N N 139 120.408 120.957 -0.549 2
1 743 . 1 1 A 62 62 TYR H H 140 7.553 7.891 -0.338 2
1 744 . 1 1 A 62 62 TYR HA H 140 4.611 4.524 0.087 2
1 751 . 1 1 A 62 62 TYR C C 140 176.791 177.222 -0.431 2
1 752 . 1 1 A 62 62 TYR CA C 140 59.811 59.134 0.677 2
1 753 . 1 1 A 62 62 TYR CB C 140 37.453 37.617 -0.164 2
1 758 . 1 1 A 62 62 TYR N N 140 118.187 118.659 -0.472 2
1 759 . 1 1 A 63 63 VAL H H 141 7.645 7.928 -0.283 2
1 760 . 1 1 A 63 63 VAL HA H 141 3.861 3.954 -0.093 2
1 768 . 1 1 A 63 63 VAL C C 141 176.409 178.047 -1.638 2
1 769 . 1 1 A 63 63 VAL CA C 141 63.504 65.974 -2.470 2
1 770 . 1 1 A 63 63 VAL CB C 141 31.598 31.305 0.293 2
1 773 . 1 1 A 63 63 VAL N N 141 118.945 121.845 -2.900 2
1 774 . 1 1 A 64 64 SER H H 142 7.611 8.127 -0.516 2
1 775 . 1 1 A 64 64 SER HA H 142 4.234 4.330 -0.096 2
1 778 . 1 1 A 64 64 SER C C 142 175.035 175.371 -0.336 2
1 779 . 1 1 A 64 64 SER CA C 142 60.628 61.210 -0.582 2
1 780 . 1 1 A 64 64 SER CB C 142 63.183 63.030 0.153 2
1 781 . 1 1 A 64 64 SER N N 142 113.661 116.668 -3.007 2
1 782 . 1 1 A 65 65 ASP H H 143 7.440 7.791 -0.351 2
1 783 . 1 1 A 65 65 ASP HA H 143 4.568 4.512 0.056 2
1 786 . 1 1 A 65 65 ASP C C 143 175.376 176.081 -0.705 2
1 787 . 1 1 A 65 65 ASP CA C 143 55.077 55.428 -0.351 2
1 788 . 1 1 A 65 65 ASP CB C 143 40.913 41.531 -0.618 2
1 789 . 1 1 A 65 65 ASP N N 143 118.332 119.670 -1.338 2
1 790 . 1 1 A 66 66 PHE H H 144 8.115 7.759 0.356 2
1 791 . 1 1 A 66 66 PHE HA H 144 4.369 4.866 -0.497 2
1 798 . 1 1 A 66 66 PHE C C 144 174.524 175.223 -0.699 2
1 799 . 1 1 A 66 66 PHE CA C 144 57.705 57.465 0.240 2
1 800 . 1 1 A 66 66 PHE CB C 144 41.033 40.534 0.499 2
1 805 . 1 1 A 66 66 PHE N N 144 120.277 117.108 3.169 2
1 806 . 1 1 A 67 67 LYS H H 145 8.688 8.815 -0.127 2
1 807 . 1 1 A 67 67 LYS HA H 145 4.671 4.467 0.204 2
1 816 . 1 1 A 67 67 LYS C C 145 175.437 176.320 -0.883 2
1 817 . 1 1 A 67 67 LYS CA C 145 55.418 55.841 -0.423 2
1 818 . 1 1 A 67 67 LYS CB C 145 31.784 31.711 0.073 2
1 822 . 1 1 A 67 67 LYS N N 145 122.931 124.402 -1.471 2
1 823 . 1 1 A 68 68 LEU H H 146 9.642 8.640 1.002 2
1 824 . 1 1 A 68 68 LEU HA H 146 4.484 4.424 0.060 2
1 834 . 1 1 A 68 68 LEU C C 146 175.512 176.562 -1.050 2
1 835 . 1 1 A 68 68 LEU CA C 146 54.375 55.887 -1.512 2
1 836 . 1 1 A 68 68 LEU CB C 146 44.114 42.699 1.415 2
1 840 . 1 1 A 68 68 LEU N N 146 123.156 126.280 -3.124 2
1 841 . 1 1 A 69 69 ALA H H 147 7.586 7.518 0.068 2
1 842 . 1 1 A 69 69 ALA HA H 147 4.597 4.610 -0.013 2
1 846 . 1 1 A 69 69 ALA C C 147 173.720 176.790 -3.070 2
1 847 . 1 1 A 69 69 ALA CA C 147 49.637 50.553 -0.916 2
1 848 . 1 1 A 69 69 ALA CB C 147 22.691 21.462 1.229 2
1 849 . 1 1 A 69 69 ALA N N 147 117.486 117.388 0.098 2
1 850 . 1 1 A 70 70 PRO HA H 148 4.578 4.403 0.175 2
1 857 . 1 1 A 70 70 PRO C C 148 176.996 176.981 0.015 2
1 858 . 1 1 A 70 70 PRO CA C 148 64.435 65.085 -0.650 2
1 859 . 1 1 A 70 70 PRO CB C 148 31.448 32.021 -0.573 2
1 862 . 1 1 A 71 71 ASN H H 149 8.221 8.230 -0.009 2
1 863 . 1 1 A 71 71 ASN HA H 149 4.783 4.913 -0.130 2
1 868 . 1 1 A 71 71 ASN C C 149 173.865 174.063 -0.198 2
1 869 . 1 1 A 71 71 ASN CA C 149 52.308 52.053 0.255 2
1 870 . 1 1 A 71 71 ASN CB C 149 38.065 37.764 0.301 2
1 871 . 1 1 A 71 71 ASN N N 149 116.940 115.219 1.721 2
1 873 . 1 1 A 72 72 GLN H H 150 8.467 8.796 -0.329 2
1 874 . 1 1 A 72 72 GLN HA H 150 3.962 4.637 -0.675 2
1 881 . 1 1 A 72 72 GLN C C 150 174.832 175.268 -0.436 2
1 882 . 1 1 A 72 72 GLN CA C 150 57.793 56.015 1.778 2
1 883 . 1 1 A 72 72 GLN CB C 150 29.029 29.403 -0.374 2
1 885 . 1 1 A 72 72 GLN N N 150 123.793 124.483 -0.690 2
1 887 . 1 1 A 73 73 THR H H 151 7.040 8.486 -1.446 2
1 888 . 1 1 A 73 73 THR HA H 151 4.668 4.918 -0.250 2
1 893 . 1 1 A 73 73 THR C C 151 175.175 175.725 -0.550 2
1 894 . 1 1 A 73 73 THR CA C 151 59.504 59.525 -0.021 2
1 895 . 1 1 A 73 73 THR CB C 151 72.544 71.562 0.982 2
1 897 . 1 1 A 73 73 THR N N 151 115.239 119.657 -4.418 2
1 898 . 1 1 A 74 74 LYS H H 152 8.949 9.019 -0.070 2
1 899 . 1 1 A 74 74 LYS HA H 152 4.109 4.043 0.066 2
1 908 . 1 1 A 74 74 LYS C C 152 178.758 178.368 0.390 2
1 909 . 1 1 A 74 74 LYS CA C 152 58.521 59.854 -1.333 2
1 910 . 1 1 A 74 74 LYS CB C 152 31.372 32.040 -0.668 2
1 914 . 1 1 A 74 74 LYS N N 152 122.065 123.776 -1.711 2
1 915 . 1 1 A 75 75 GLU H H 153 8.762 8.172 0.590 2
1 916 . 1 1 A 75 75 GLU HA H 153 4.098 4.144 -0.046 2
1 921 . 1 1 A 75 75 GLU C C 153 179.947 179.317 0.630 2
1 922 . 1 1 A 75 75 GLU CA C 153 60.405 59.171 1.234 2
1 923 . 1 1 A 75 75 GLU CB C 153 28.999 29.424 -0.425 2
1 925 . 1 1 A 75 75 GLU N N 153 118.335 119.813 -1.478 2
1 926 . 1 1 A 76 76 LEU H H 154 7.726 8.073 -0.347 2
1 927 . 1 1 A 76 76 LEU HA H 154 4.061 3.893 0.168 2
1 937 . 1 1 A 76 76 LEU C C 154 178.292 178.680 -0.388 2
1 938 . 1 1 A 76 76 LEU CA C 154 58.188 57.843 0.345 2
1 939 . 1 1 A 76 76 LEU CB C 154 41.061 41.692 -0.631 2
1 943 . 1 1 A 76 76 LEU N N 154 121.434 121.802 -0.368 2
1 944 . 1 1 A 77 77 GLU H H 155 8.044 8.566 -0.522 2
1 945 . 1 1 A 77 77 GLU HA H 155 3.394 3.925 -0.531 2
1 950 . 1 1 A 77 77 GLU C C 155 178.363 179.445 -1.082 2
1 951 . 1 1 A 77 77 GLU CA C 155 60.409 59.934 0.475 2
1 952 . 1 1 A 77 77 GLU CB C 155 28.697 29.175 -0.478 2
1 954 . 1 1 A 77 77 GLU N N 155 118.172 118.976 -0.804 2
1 955 . 1 1 A 78 78 GLU H H 156 8.657 8.780 -0.123 2
1 956 . 1 1 A 78 78 GLU HA H 156 3.945 4.008 -0.063 2
1 961 . 1 1 A 78 78 GLU C C 156 179.197 179.051 0.146 2
1 962 . 1 1 A 78 78 GLU CA C 156 59.869 59.320 0.549 2
1 963 . 1 1 A 78 78 GLU CB C 156 29.466 29.172 0.294 2
1 965 . 1 1 A 78 78 GLU N N 156 117.944 120.037 -2.093 2
1 966 . 1 1 A 79 79 LYS H H 157 7.564 7.811 -0.247 2
1 967 . 1 1 A 79 79 LYS HA H 157 4.245 4.163 0.082 2
1 976 . 1 1 A 79 79 LYS C C 157 178.328 178.900 -0.572 2
1 977 . 1 1 A 79 79 LYS CA C 157 57.557 58.830 -1.273 2
1 978 . 1 1 A 79 79 LYS CB C 157 30.969 32.371 -1.402 2
1 982 . 1 1 A 79 79 LYS N N 157 121.118 121.103 0.015 2
1 983 . 1 1 A 80 80 VAL H H 158 8.412 7.737 0.675 2
1 984 . 1 1 A 80 80 VAL HA H 158 3.314 3.768 -0.454 2
1 992 . 1 1 A 80 80 VAL C C 158 177.623 178.064 -0.441 2
1 993 . 1 1 A 80 80 VAL CA C 158 67.250 66.326 0.924 2
1 994 . 1 1 A 80 80 VAL CB C 158 30.867 31.786 -0.919 2
1 997 . 1 1 A 80 80 VAL N N 158 119.270 119.654 -0.384 2
1 998 . 1 1 A 81 81 MET H H 159 8.212 7.996 0.216 2
1 999 . 1 1 A 81 81 MET HA H 159 4.039 4.359 -0.320 2
1 1007 . 1 1 A 81 81 MET C C 159 177.305 178.689 -1.384 2
1 1008 . 1 1 A 81 81 MET CA C 159 59.998 59.190 0.808 2
1 1009 . 1 1 A 81 81 MET CB C 159 33.605 33.154 0.451 2
1 1012 . 1 1 A 81 81 MET N N 159 117.924 117.610 0.314 2
1 1013 . 1 1 A 82 82 GLU H H 160 7.780 8.492 -0.712 2
1 1014 . 1 1 A 82 82 GLU HA H 160 3.768 3.992 -0.224 2
1 1019 . 1 1 A 82 82 GLU C C 160 179.468 179.013 0.455 2
1 1020 . 1 1 A 82 82 GLU CA C 160 59.555 59.181 0.374 2
1 1021 . 1 1 A 82 82 GLU CB C 160 29.831 29.371 0.460 2
1 1023 . 1 1 A 82 82 GLU N N 160 119.282 119.976 -0.694 2
1 1024 . 1 1 A 83 83 LEU H H 161 7.748 8.188 -0.440 2
1 1025 . 1 1 A 83 83 LEU HA H 161 3.756 3.720 0.036 2
1 1035 . 1 1 A 83 83 LEU C C 161 179.113 178.754 0.359 2
1 1036 . 1 1 A 83 83 LEU CA C 161 57.246 57.566 -0.320 2
1 1037 . 1 1 A 83 83 LEU CB C 161 41.824 41.459 0.365 2
1 1041 . 1 1 A 83 83 LEU N N 161 118.542 119.933 -1.391 2
1 1042 . 1 1 A 84 84 HIS H H 162 8.842 8.109 0.733 2
1 1043 . 1 1 A 84 84 HIS HA H 162 3.986 4.191 -0.205 2
1 1047 . 1 1 A 84 84 HIS C C 162 178.286 177.071 1.215 2
1 1048 . 1 1 A 84 84 HIS CA C 162 58.407 60.293 -1.886 2
1 1049 . 1 1 A 84 84 HIS CB C 162 32.405 30.012 2.393 2
1 1051 . 1 1 A 84 84 HIS N N 162 120.325 118.264 2.061 2
1 1052 . 1 1 A 85 85 LYS H H 163 7.951 7.872 0.079 2
1 1053 . 1 1 A 85 85 LYS HA H 163 3.383 3.910 -0.527 2
1 1062 . 1 1 A 85 85 LYS C C 163 177.303 179.277 -1.974 2
1 1063 . 1 1 A 85 85 LYS CA C 163 59.730 59.071 0.659 2
1 1064 . 1 1 A 85 85 LYS CB C 163 32.489 31.491 0.998 2
1 1068 . 1 1 A 85 85 LYS N N 163 116.598 119.317 -2.719 2
1 1069 . 1 1 A 86 86 SER H H 164 7.334 7.934 -0.600 2
1 1070 . 1 1 A 86 86 SER HA H 164 4.442 4.180 0.262 2
1 1073 . 1 1 A 86 86 SER C C 164 175.296 174.514 0.782 2
1 1074 . 1 1 A 86 86 SER CA C 164 59.708 60.908 -1.200 2
1 1075 . 1 1 A 86 86 SER CB C 164 64.669 62.801 1.868 2
1 1076 . 1 1 A 86 86 SER N N 164 113.922 114.115 -0.193 2
1 1077 . 1 1 A 87 87 TYR H H 165 7.321 7.351 -0.030 2
1 1078 . 1 1 A 87 87 TYR HA H 165 5.037 4.763 0.274 2
1 1085 . 1 1 A 87 87 TYR C C 165 175.143 175.693 -0.550 2
1 1086 . 1 1 A 87 87 TYR CA C 165 54.570 58.563 -3.993 2
1 1087 . 1 1 A 87 87 TYR CB C 165 36.575 39.484 -2.909 2
1 1092 . 1 1 A 87 87 TYR N N 165 123.163 120.311 2.852 2
1 1093 . 1 1 A 88 88 ARG H H 166 7.263 8.670 -1.407 2
1 1094 . 1 1 A 88 88 ARG HA H 166 4.264 4.617 -0.353 2
1 1102 . 1 1 A 88 88 ARG C C 166 177.455 176.108 1.347 2
1 1103 . 1 1 A 88 88 ARG CA C 166 58.086 55.736 2.350 2
1 1104 . 1 1 A 88 88 ARG CB C 166 30.702 31.474 -0.771 2
1 1107 . 1 1 A 88 88 ARG N N 166 119.334 122.566 -3.232 2
1 1108 . 1 1 A 89 89 SER H H 167 10.206 8.506 1.700 2
1 1109 . 1 1 A 89 89 SER HA H 167 4.265 4.440 -0.175 2
1 1112 . 1 1 A 89 89 SER C C 167 174.371 173.601 0.770 2
1 1113 . 1 1 A 89 89 SER CA C 167 60.818 58.421 2.397 2
1 1114 . 1 1 A 89 89 SER CB C 167 62.576 62.535 0.041 2
1 1115 . 1 1 A 89 89 SER N N 167 121.486 115.179 6.307 2
1 1116 . 1 1 A 90 90 MET H H 168 8.409 8.420 -0.011 2
1 1117 . 1 1 A 90 90 MET HA H 168 4.531 4.801 -0.270 2
1 1125 . 1 1 A 90 90 MET C C 168 177.396 175.694 1.702 2
1 1126 . 1 1 A 90 90 MET CA C 168 56.283 54.839 1.444 2
1 1127 . 1 1 A 90 90 MET CB C 168 35.048 34.470 0.578 2
1 1130 . 1 1 A 90 90 MET N N 168 124.849 122.499 2.350 2
1 1131 . 1 1 A 91 91 THR H H 169 8.981 8.966 0.015 2
1 1132 . 1 1 A 91 91 THR HA H 169 4.589 5.019 -0.430 2
1 1137 . 1 1 A 91 91 THR C C 169 173.532 174.643 -1.111 2
1 1138 . 1 1 A 91 91 THR CA C 169 61.052 59.273 1.779 2
1 1139 . 1 1 A 91 91 THR CB C 169 68.249 69.478 -1.229 2
1 1141 . 1 1 A 91 91 THR N N 169 122.910 113.918 8.992 2
1 1142 . 1 1 A 92 92 PRO HA H 170 4.151 4.215 -0.064 2
1 1147 . 1 1 A 92 92 PRO C C 170 177.481 178.306 -0.825 2
1 1148 . 1 1 A 92 92 PRO CA C 170 66.599 65.998 0.601 2
1 1149 . 1 1 A 92 92 PRO CB C 170 31.740 31.479 0.261 2
1 1151 . 1 1 A 93 93 ALA H H 171 7.833 8.376 -0.543 2
1 1152 . 1 1 A 93 93 ALA HA H 171 4.135 3.975 0.160 2
1 1156 . 1 1 A 93 93 ALA C C 171 180.982 180.493 0.489 2
1 1157 . 1 1 A 93 93 ALA CA C 171 54.982 55.404 -0.422 2
1 1158 . 1 1 A 93 93 ALA CB C 171 18.373 18.548 -0.175 2
1 1159 . 1 1 A 93 93 ALA N N 171 115.945 118.222 -2.277 2
1 1160 . 1 1 A 94 94 GLN H H 172 7.868 8.047 -0.179 2
1 1161 . 1 1 A 94 94 GLN HA H 172 3.911 3.987 -0.076 2
1 1168 . 1 1 A 94 94 GLN C C 172 178.279 178.346 -0.067 2
1 1169 . 1 1 A 94 94 GLN CA C 172 58.547 58.691 -0.144 2
1 1170 . 1 1 A 94 94 GLN CB C 172 28.318 28.381 -0.063 2
1 1172 . 1 1 A 94 94 GLN N N 172 118.910 117.895 1.015 2
1 1174 . 1 1 A 95 95 ALA H H 173 8.459 7.737 0.722 2
1 1175 . 1 1 A 95 95 ALA HA H 173 4.066 3.900 0.166 2
1 1179 . 1 1 A 95 95 ALA C C 173 179.362 179.567 -0.205 2
1 1180 . 1 1 A 95 95 ALA CA C 173 55.413 55.205 0.208 2
1 1181 . 1 1 A 95 95 ALA CB C 173 17.730 18.294 -0.564 2
1 1182 . 1 1 A 95 95 ALA N N 173 123.672 122.433 1.239 2
1 1183 . 1 1 A 96 96 ASP H H 174 8.541 8.275 0.266 2
1 1184 . 1 1 A 96 96 ASP HA H 174 4.317 4.375 -0.058 2
1 1187 . 1 1 A 96 96 ASP C C 174 178.340 178.527 -0.187 2
1 1188 . 1 1 A 96 96 ASP CA C 174 57.230 57.437 -0.207 2
1 1189 . 1 1 A 96 96 ASP CB C 174 40.024 40.547 -0.523 2
1 1190 . 1 1 A 96 96 ASP N N 174 119.397 119.502 -0.105 2
1 1191 . 1 1 A 97 97 LEU H H 175 7.798 8.098 -0.300 2
1 1192 . 1 1 A 97 97 LEU HA H 175 3.968 4.120 -0.152 2
1 1202 . 1 1 A 97 97 LEU C C 175 179.822 178.562 1.260 2
1 1203 . 1 1 A 97 97 LEU CA C 175 58.737 57.265 1.472 2
1 1204 . 1 1 A 97 97 LEU CB C 175 41.661 41.547 0.114 2
1 1208 . 1 1 A 97 97 LEU N N 175 120.724 120.151 0.573 2
1 1209 . 1 1 A 98 98 GLU H H 176 8.172 8.257 -0.085 2
1 1210 . 1 1 A 98 98 GLU HA H 176 3.885 3.720 0.165 2
1 1215 . 1 1 A 98 98 GLU C C 176 180.447 178.918 1.529 2
1 1216 . 1 1 A 98 98 GLU CA C 176 58.870 59.421 -0.551 2
1 1217 . 1 1 A 98 98 GLU CB C 176 27.413 28.518 -1.105 2
1 1219 . 1 1 A 98 98 GLU N N 176 119.724 119.042 0.682 2
1 1220 . 1 1 A 99 99 PHE H H 177 8.542 7.726 0.816 2
1 1221 . 1 1 A 99 99 PHE HA H 177 3.819 4.140 -0.321 2
1 1229 . 1 1 A 99 99 PHE C C 177 176.805 177.070 -0.265 2
1 1230 . 1 1 A 99 99 PHE CA C 177 62.277 61.310 0.967 2
1 1231 . 1 1 A 99 99 PHE CB C 177 38.948 39.180 -0.232 2
1 1237 . 1 1 A 99 99 PHE N N 177 123.837 121.316 2.521 2
1 1238 . 1 1 A 100 100 LEU H H 178 8.532 8.413 0.119 2
1 1239 . 1 1 A 100 100 LEU HA H 178 4.028 3.968 0.060 2
1 1249 . 1 1 A 100 100 LEU C C 178 179.884 179.420 0.464 2
1 1250 . 1 1 A 100 100 LEU CA C 178 58.046 58.073 -0.027 2
1 1251 . 1 1 A 100 100 LEU CB C 178 41.419 41.437 -0.018 2
1 1255 . 1 1 A 100 100 LEU N N 178 119.496 119.135 0.361 2
1 1256 . 1 1 A 101 101 GLU H H 179 8.769 8.492 0.277 2
1 1257 . 1 1 A 101 101 GLU HA H 179 4.043 3.963 0.080 2
1 1262 . 1 1 A 101 101 GLU C C 179 179.881 179.089 0.792 2
1 1263 . 1 1 A 101 101 GLU CA C 179 59.465 59.403 0.062 2
1 1264 . 1 1 A 101 101 GLU CB C 179 29.478 29.157 0.321 2
1 1266 . 1 1 A 101 101 GLU N N 179 120.825 119.736 1.089 2
1 1267 . 1 1 A 102 102 ASN H H 180 7.865 7.732 0.133 2
1 1268 . 1 1 A 102 102 ASN HA H 180 4.329 4.389 -0.060 2
1 1273 . 1 1 A 102 102 ASN C C 180 176.692 177.456 -0.764 2
1 1274 . 1 1 A 102 102 ASN CA C 180 57.537 55.771 1.766 2
1 1275 . 1 1 A 102 102 ASN CB C 180 40.085 38.334 1.751 2
1 1276 . 1 1 A 102 102 ASN N N 180 116.591 117.864 -1.273 2
1 1278 . 1 1 A 103 103 ALA H H 181 8.744 8.278 0.466 2
1 1279 . 1 1 A 103 103 ALA HA H 181 4.130 3.898 0.232 2
1 1283 . 1 1 A 103 103 ALA C C 181 179.546 179.553 -0.007 2
1 1284 . 1 1 A 103 103 ALA CA C 181 55.148 54.908 0.240 2
1 1285 . 1 1 A 103 103 ALA CB C 181 18.154 18.277 -0.123 2
1 1286 . 1 1 A 103 103 ALA N N 181 122.431 122.240 0.191 2
1 1287 . 1 1 A 104 104 LYS H H 182 8.493 7.906 0.587 2
1 1288 . 1 1 A 104 104 LYS HA H 182 3.786 3.947 -0.161 2
1 1297 . 1 1 A 104 104 LYS C C 182 180.012 179.040 0.972 2
1 1298 . 1 1 A 104 104 LYS CA C 182 58.547 59.300 -0.753 2
1 1299 . 1 1 A 104 104 LYS CB C 182 31.194 32.066 -0.872 2
1 1303 . 1 1 A 104 104 LYS N N 182 119.195 117.953 1.242 2
1 1304 . 1 1 A 105 105 LYS H H 183 7.661 7.639 0.022 2
1 1305 . 1 1 A 105 105 LYS HA H 183 4.111 4.110 0.001 2
1 1314 . 1 1 A 105 105 LYS C C 183 178.010 177.970 0.040 2
1 1315 . 1 1 A 105 105 LYS CA C 183 58.823 58.435 0.388 2
1 1316 . 1 1 A 105 105 LYS CB C 183 32.287 32.342 -0.055 2
1 1320 . 1 1 A 105 105 LYS N N 183 120.301 118.873 1.428 2
1 1321 . 1 1 A 106 106 LEU H H 184 7.403 7.379 0.024 2
1 1322 . 1 1 A 106 106 LEU HA H 184 4.385 4.344 0.041 2
1 1331 . 1 1 A 106 106 LEU C C 184 176.332 176.180 0.152 2
1 1332 . 1 1 A 106 106 LEU CA C 184 54.857 54.683 0.174 2
1 1333 . 1 1 A 106 106 LEU CB C 184 42.054 42.253 -0.199 2
1 1336 . 1 1 A 106 106 LEU N N 184 118.606 118.629 -0.023 2
1 1337 . 1 1 A 107 107 SER H H 185 8.123 7.925 0.198 2
1 1338 . 1 1 A 107 107 SER HA H 185 4.202 4.165 0.037 2
1 1341 . 1 1 A 107 107 SER C C 185 174.826 174.387 0.439 2
1 1342 . 1 1 A 107 107 SER CA C 185 58.894 59.131 -0.237 2
1 1343 . 1 1 A 107 107 SER CB C 185 61.684 61.365 0.319 2
1 1344 . 1 1 A 107 107 SER N N 185 113.023 113.406 -0.383 2
1 1345 . 1 1 A 108 108 MET H H 186 8.212 7.915 0.297 2
1 1346 . 1 1 A 108 108 MET HA H 186 4.188 4.419 -0.231 2
1 1354 . 1 1 A 108 108 MET C C 186 174.495 176.497 -2.002 2
1 1355 . 1 1 A 108 108 MET CA C 186 57.328 57.053 0.275 2
1 1356 . 1 1 A 108 108 MET CB C 186 33.414 33.069 0.345 2
1 1359 . 1 1 A 108 108 MET N N 186 117.267 118.104 -0.837 2
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