data_15125_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15125
_Entry.PDB_ID 2JNS
_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 1 . 1 1 1 A 4 4 GLY C C 4 174.318 171.571 2.747 1
1 2 . 1 1 1 A 4 4 GLY CA C 4 45.318 45.740 -0.422 1
1 3 . 1 1 1 A 5 5 SER H H 5 8.211 8.813 -0.602 1
1 4 . 1 1 1 A 5 5 SER HA H 5 4.460 5.180 -0.720 1
1 7 . 1 1 1 A 5 5 SER C C 5 174.891 172.518 2.373 1
1 8 . 1 1 1 A 5 5 SER CA C 5 58.299 57.570 0.729 1
1 9 . 1 1 1 A 5 5 SER CB C 5 64.052 67.446 -3.394 1
1 10 . 1 1 1 A 5 5 SER N N 5 115.510 116.317 -0.807 1
1 11 . 1 1 1 A 6 6 SER H H 6 8.444 8.568 -0.124 1
1 12 . 1 1 1 A 6 6 SER HA H 6 4.428 5.024 -0.596 1
1 15 . 1 1 1 A 6 6 SER C C 6 175.096 174.423 0.673 1
1 16 . 1 1 1 A 6 6 SER CA C 6 58.706 57.068 1.638 1
1 17 . 1 1 1 A 6 6 SER CB C 6 63.920 66.618 -2.698 1
1 18 . 1 1 1 A 6 6 SER N N 6 117.613 118.017 -0.404 1
1 19 . 1 1 1 A 7 7 GLY H H 7 8.359 8.682 -0.323 1
1 20 . 1 1 1 A 7 7 GLY HA2 H 7 3.916 4.025 -0.109 1
1 21 . 1 1 1 A 7 7 GLY HA3 H 7 3.916 4.025 -0.109 1
1 22 . 1 1 1 A 7 7 GLY C C 7 174.309 174.521 -0.212 1
1 23 . 1 1 1 A 7 7 GLY CA C 7 45.399 44.945 0.454 1
1 24 . 1 1 1 A 7 7 GLY N N 7 110.468 111.050 -0.582 1
1 25 . 1 1 1 A 8 8 GLU H H 8 8.235 7.978 0.257 1
1 26 . 1 1 1 A 8 8 GLU HA H 8 4.248 4.294 -0.046 1
1 31 . 1 1 1 A 8 8 GLU C C 8 176.732 177.701 -0.969 1
1 32 . 1 1 1 A 8 8 GLU CA C 8 56.630 56.660 -0.030 1
1 33 . 1 1 1 A 8 8 GLU CB C 8 30.243 30.954 -0.711 1
1 35 . 1 1 1 A 8 8 GLU N N 8 120.254 121.731 -1.477 1
1 36 . 1 1 1 A 9 9 SER H H 9 8.327 9.201 -0.874 1
1 37 . 1 1 1 A 9 9 SER HA H 9 4.385 4.334 0.051 1
1 40 . 1 1 1 A 9 9 SER C C 9 174.682 175.936 -1.254 1
1 41 . 1 1 1 A 9 9 SER CA C 9 58.470 59.974 -1.504 1
1 42 . 1 1 1 A 9 9 SER CB C 9 63.742 62.733 1.009 1
1 43 . 1 1 1 A 9 9 SER N N 9 116.213 122.154 -5.941 1
1 44 . 1 1 1 A 10 10 GLU H H 10 8.428 8.117 0.311 1
1 45 . 1 1 1 A 10 10 GLU HA H 10 4.232 3.983 0.249 1
1 50 . 1 1 1 A 10 10 GLU C C 10 176.769 178.914 -2.145 1
1 51 . 1 1 1 A 10 10 GLU CA C 10 56.887 59.704 -2.817 1
1 52 . 1 1 1 A 10 10 GLU CB C 10 30.267 29.261 1.006 1
1 54 . 1 1 1 A 10 10 GLU N N 10 122.618 121.177 1.441 1
1 55 . 1 1 1 A 11 11 GLU H H 11 8.315 8.021 0.294 1
1 56 . 1 1 1 A 11 11 GLU HA H 11 4.179 4.093 0.086 1
1 61 . 1 1 1 A 11 11 GLU C C 11 177.182 178.390 -1.208 1
1 62 . 1 1 1 A 11 11 GLU CA C 11 56.896 59.206 -2.310 1
1 63 . 1 1 1 A 11 11 GLU CB C 11 30.317 29.370 0.947 1
1 65 . 1 1 1 A 11 11 GLU N N 11 120.909 119.311 1.598 1
1 66 . 1 1 1 A 12 12 GLU H H 12 8.333 8.383 -0.050 1
1 67 . 1 1 1 A 12 12 GLU HA H 12 4.100 4.160 -0.060 1
1 72 . 1 1 1 A 12 12 GLU C C 12 176.860 176.337 0.523 1
1 73 . 1 1 1 A 12 12 GLU CA C 12 57.495 57.536 -0.041 1
1 74 . 1 1 1 A 12 12 GLU CB C 12 30.221 29.004 1.217 1
1 76 . 1 1 1 A 12 12 GLU N N 12 121.578 115.716 5.862 1
1 77 . 1 1 1 A 13 13 ASP H H 13 8.332 7.535 0.797 1
1 78 . 1 1 1 A 13 13 ASP HA H 13 4.468 4.956 -0.488 1
1 81 . 1 1 1 A 13 13 ASP C C 13 176.833 176.803 0.030 1
1 82 . 1 1 1 A 13 13 ASP CA C 13 54.921 52.594 2.327 1
1 83 . 1 1 1 A 13 13 ASP CB C 13 40.912 41.646 -0.734 1
1 84 . 1 1 1 A 13 13 ASP N N 13 120.147 120.185 -0.038 1
1 85 . 1 1 1 A 14 14 LYS H H 14 8.014 7.885 0.129 1
1 86 . 1 1 1 A 14 14 LYS HA H 14 4.204 4.097 0.107 1
1 95 . 1 1 1 A 14 14 LYS C C 14 176.568 176.645 -0.077 1
1 96 . 1 1 1 A 14 14 LYS CA C 14 56.558 59.150 -2.592 1
1 97 . 1 1 1 A 14 14 LYS CB C 14 32.598 32.350 0.248 1
1 101 . 1 1 1 A 14 14 LYS N N 14 120.485 120.531 -0.046 1
1 102 . 1 1 1 A 15 15 CYS H H 15 8.013 7.587 0.426 1
1 103 . 1 1 1 A 15 15 CYS HA H 15 4.304 4.774 -0.470 1
1 106 . 1 1 1 A 15 15 CYS C C 15 173.801 173.431 0.370 1
1 107 . 1 1 1 A 15 15 CYS CA C 15 58.337 59.018 -0.681 1
1 108 . 1 1 1 A 15 15 CYS CB C 15 28.061 30.442 -2.381 1
1 109 . 1 1 1 A 15 15 CYS N N 15 118.099 112.903 5.196 1
1 110 . 1 1 1 A 16 16 LYS H H 16 8.287 8.648 -0.361 1
1 111 . 1 1 1 A 16 16 LYS HA H 16 4.491 4.577 -0.086 1
1 120 . 1 1 1 A 16 16 LYS C C 16 175.117 174.435 0.682 1
1 121 . 1 1 1 A 16 16 LYS CA C 16 54.512 54.627 -0.115 1
1 122 . 1 1 1 A 16 16 LYS CB C 16 32.697 31.427 1.270 1
1 124 . 1 1 1 A 16 16 LYS N N 16 125.369 125.410 -0.041 1
1 125 . 1 1 1 A 17 17 PRO HA H 17 4.247 4.641 -0.394 1
1 132 . 1 1 1 A 17 17 PRO C C 17 176.956 175.451 1.505 1
1 133 . 1 1 1 A 17 17 PRO CA C 17 63.088 62.722 0.366 1
1 134 . 1 1 1 A 17 17 PRO CB C 17 32.244 32.374 -0.130 1
1 137 . 1 1 1 A 18 18 MET H H 18 8.516 8.300 0.216 1
1 138 . 1 1 1 A 18 18 MET HA H 18 4.488 4.959 -0.471 1
1 146 . 1 1 1 A 18 18 MET C C 18 176.759 175.681 1.078 1
1 147 . 1 1 1 A 18 18 MET CA C 18 56.169 54.855 1.314 1
1 148 . 1 1 1 A 18 18 MET CB C 18 35.531 35.310 0.221 1
1 151 . 1 1 1 A 18 18 MET N N 18 121.801 120.470 1.331 1
1 152 . 1 1 1 A 19 19 SER H H 19 9.100 9.006 0.094 1
1 153 . 1 1 1 A 19 19 SER HA H 19 4.459 4.585 -0.126 1
1 156 . 1 1 1 A 19 19 SER C C 19 175.018 175.351 -0.333 1
1 157 . 1 1 1 A 19 19 SER CA C 19 56.894 58.752 -1.858 1
1 158 . 1 1 1 A 19 19 SER CB C 19 65.854 64.373 1.481 1
1 159 . 1 1 1 A 19 19 SER N N 19 119.212 120.214 -1.002 1
1 160 . 1 1 1 A 20 20 TYR H H 20 8.959 9.266 -0.307 1
1 161 . 1 1 1 A 20 20 TYR HA H 20 4.029 4.130 -0.101 1
1 168 . 1 1 1 A 20 20 TYR C C 20 177.960 177.388 0.572 1
1 169 . 1 1 1 A 20 20 TYR CA C 20 62.463 62.502 -0.039 1
1 170 . 1 1 1 A 20 20 TYR CB C 20 38.009 38.552 -0.543 1
1 175 . 1 1 1 A 20 20 TYR N N 20 121.218 124.361 -3.143 1
1 176 . 1 1 1 A 21 21 GLU H H 21 8.825 8.288 0.537 1
1 177 . 1 1 1 A 21 21 GLU HA H 21 3.811 3.682 0.129 1
1 182 . 1 1 1 A 21 21 GLU C C 21 179.481 179.066 0.415 1
1 183 . 1 1 1 A 21 21 GLU CA C 21 59.951 60.071 -0.120 1
1 184 . 1 1 1 A 21 21 GLU CB C 21 28.823 29.076 -0.253 1
1 186 . 1 1 1 A 21 21 GLU N N 21 118.696 117.912 0.784 1
1 187 . 1 1 1 A 22 22 GLU H H 22 7.771 8.119 -0.348 1
1 188 . 1 1 1 A 22 22 GLU HA H 22 3.899 4.028 -0.129 1
1 193 . 1 1 1 A 22 22 GLU C C 22 179.680 179.237 0.443 1
1 194 . 1 1 1 A 22 22 GLU CA C 22 59.498 59.031 0.467 1
1 195 . 1 1 1 A 22 22 GLU CB C 22 30.385 29.359 1.026 1
1 197 . 1 1 1 A 22 22 GLU N N 22 120.141 120.900 -0.759 1
1 198 . 1 1 1 A 23 23 LYS H H 23 8.101 7.654 0.447 1
1 199 . 1 1 1 A 23 23 LYS HA H 23 3.662 3.713 -0.051 1
1 208 . 1 1 1 A 23 23 LYS C C 23 178.250 179.230 -0.980 1
1 209 . 1 1 1 A 23 23 LYS CA C 23 60.345 59.676 0.669 1
1 210 . 1 1 1 A 23 23 LYS CB C 23 32.611 32.133 0.478 1
1 214 . 1 1 1 A 23 23 LYS N N 23 120.594 119.238 1.356 1
1 215 . 1 1 1 A 24 24 ARG H H 24 8.030 7.804 0.226 1
1 216 . 1 1 1 A 24 24 ARG HA H 24 3.721 3.949 -0.228 1
1 223 . 1 1 1 A 24 24 ARG C C 24 178.992 178.707 0.285 1
1 224 . 1 1 1 A 24 24 ARG CA C 24 59.055 59.234 -0.179 1
1 225 . 1 1 1 A 24 24 ARG CB C 24 29.623 29.926 -0.303 1
1 228 . 1 1 1 A 24 24 ARG N N 24 120.100 118.834 1.266 1
1 229 . 1 1 1 A 25 25 GLN H H 25 7.940 7.967 -0.027 1
1 230 . 1 1 1 A 25 25 GLN HA H 25 3.706 3.973 -0.267 1
1 237 . 1 1 1 A 25 25 GLN C C 25 177.078 177.775 -0.697 1
1 238 . 1 1 1 A 25 25 GLN CA C 25 58.104 58.648 -0.544 1
1 239 . 1 1 1 A 25 25 GLN CB C 25 28.294 28.104 0.190 1
1 241 . 1 1 1 A 25 25 GLN N N 25 118.586 119.713 -1.127 1
1 243 . 1 1 1 A 26 26 LEU H H 26 7.843 8.015 -0.172 1
1 244 . 1 1 1 A 26 26 LEU HA H 26 4.182 3.964 0.218 1
1 254 . 1 1 1 A 26 26 LEU C C 26 178.116 178.622 -0.506 1
1 255 . 1 1 1 A 26 26 LEU CA C 26 57.867 57.682 0.185 1
1 256 . 1 1 1 A 26 26 LEU CB C 26 41.167 41.298 -0.131 1
1 259 . 1 1 1 A 26 26 LEU N N 26 119.570 121.384 -1.814 1
1 260 . 1 1 1 A 27 27 SER H H 27 7.710 7.649 0.061 1
1 261 . 1 1 1 A 27 27 SER HA H 27 3.869 4.265 -0.396 1
1 264 . 1 1 1 A 27 27 SER C C 27 176.845 177.513 -0.668 1
1 265 . 1 1 1 A 27 27 SER CA C 27 61.478 61.424 0.054 1
1 266 . 1 1 1 A 27 27 SER CB C 27 62.828 62.953 -0.125 1
1 267 . 1 1 1 A 27 27 SER N N 27 112.126 114.573 -2.447 1
1 268 . 1 1 1 A 28 28 LEU H H 28 7.613 7.979 -0.366 1
1 269 . 1 1 1 A 28 28 LEU HA H 28 3.954 3.904 0.050 1
1 279 . 1 1 1 A 28 28 LEU C C 28 180.044 179.008 1.036 1
1 280 . 1 1 1 A 28 28 LEU CA C 28 57.862 58.054 -0.192 1
1 281 . 1 1 1 A 28 28 LEU CB C 28 41.703 41.826 -0.123 1
1 285 . 1 1 1 A 28 28 LEU N N 28 120.774 122.023 -1.249 1
1 286 . 1 1 1 A 29 29 ASP H H 29 8.476 8.172 0.304 1
1 287 . 1 1 1 A 29 29 ASP HA H 29 4.236 4.532 -0.296 1
1 290 . 1 1 1 A 29 29 ASP C C 29 179.532 179.096 0.436 1
1 291 . 1 1 1 A 29 29 ASP CA C 29 57.618 57.523 0.095 1
1 292 . 1 1 1 A 29 29 ASP CB C 29 40.447 40.602 -0.155 1
1 293 . 1 1 1 A 29 29 ASP N N 29 120.971 118.316 2.655 1
1 294 . 1 1 1 A 30 30 ILE H H 30 8.558 7.817 0.741 1
1 295 . 1 1 1 A 30 30 ILE HA H 30 3.564 3.641 -0.077 1
1 305 . 1 1 1 A 30 30 ILE C C 30 178.098 178.316 -0.218 1
1 306 . 1 1 1 A 30 30 ILE CA C 30 65.616 65.184 0.432 1
1 307 . 1 1 1 A 30 30 ILE CB C 30 37.697 37.712 -0.015 1
1 311 . 1 1 1 A 30 30 ILE N N 30 120.240 121.264 -1.024 1
1 312 . 1 1 1 A 31 31 ASN H H 31 7.350 8.413 -1.063 1
1 313 . 1 1 1 A 31 31 ASN HA H 31 4.560 4.568 -0.008 1
1 318 . 1 1 1 A 31 31 ASN C C 31 175.952 176.807 -0.855 1
1 319 . 1 1 1 A 31 31 ASN CA C 31 54.997 56.255 -1.258 1
1 320 . 1 1 1 A 31 31 ASN CB C 31 38.769 38.407 0.362 1
1 321 . 1 1 1 A 31 31 ASN N N 31 115.285 117.514 -2.229 1
1 323 . 1 1 1 A 32 32 LYS H H 32 7.509 7.347 0.162 1
1 324 . 1 1 1 A 32 32 LYS HA H 32 4.286 4.329 -0.043 1
1 333 . 1 1 1 A 32 32 LYS C C 32 177.232 176.577 0.655 1
1 334 . 1 1 1 A 32 32 LYS CA C 32 56.330 56.834 -0.504 1
1 335 . 1 1 1 A 32 32 LYS CB C 32 33.570 32.800 0.770 1
1 339 . 1 1 1 A 32 32 LYS N N 32 117.496 117.031 0.465 1
1 340 . 1 1 1 A 33 33 LEU H H 33 7.455 7.386 0.069 1
1 341 . 1 1 1 A 33 33 LEU HA H 33 4.265 4.402 -0.137 1
1 351 . 1 1 1 A 33 33 LEU CA C 33 53.436 53.283 0.153 1
1 352 . 1 1 1 A 33 33 LEU CB C 33 41.464 41.841 -0.377 1
1 356 . 1 1 1 A 33 33 LEU N N 33 120.501 121.296 -0.795 1
1 357 . 1 1 1 A 34 34 PRO HA H 34 4.561 4.579 -0.018 1
1 364 . 1 1 1 A 34 34 PRO C C 34 178.359 178.235 0.124 1
1 365 . 1 1 1 A 34 34 PRO CA C 34 62.251 62.496 -0.245 1
1 366 . 1 1 1 A 34 34 PRO CB C 34 32.489 32.681 -0.192 1
1 369 . 1 1 1 A 35 35 GLY H H 35 8.865 8.757 0.108 1
1 370 . 1 1 1 A 35 35 GLY HA2 H 35 3.709 3.811 -0.102 1
1 371 . 1 1 1 A 35 35 GLY HA3 H 35 4.005 3.816 0.189 1
1 372 . 1 1 1 A 35 35 GLY C C 35 176.845 175.694 1.151 1
1 373 . 1 1 1 A 35 35 GLY CA C 35 48.165 47.400 0.765 1
1 374 . 1 1 1 A 35 35 GLY N N 35 109.986 110.243 -0.257 1
1 375 . 1 1 1 A 36 36 GLU H H 36 9.360 8.986 0.374 1
1 376 . 1 1 1 A 36 36 GLU HA H 36 4.233 4.066 0.167 1
1 381 . 1 1 1 A 36 36 GLU C C 36 178.326 177.882 0.444 1
1 382 . 1 1 1 A 36 36 GLU CA C 36 58.964 58.607 0.357 1
1 383 . 1 1 1 A 36 36 GLU CB C 36 28.689 28.140 0.549 1
1 385 . 1 1 1 A 36 36 GLU N N 36 119.485 121.232 -1.747 1
1 386 . 1 1 1 A 37 37 LYS H H 37 7.734 7.839 -0.105 1
1 387 . 1 1 1 A 37 37 LYS HA H 37 4.516 4.432 0.084 1
1 396 . 1 1 1 A 37 37 LYS C C 37 178.698 178.713 -0.015 1
1 397 . 1 1 1 A 37 37 LYS CA C 37 55.977 56.996 -1.019 1
1 398 . 1 1 1 A 37 37 LYS CB C 37 32.981 33.010 -0.029 1
1 402 . 1 1 1 A 37 37 LYS N N 37 116.668 119.058 -2.390 1
1 403 . 1 1 1 A 38 38 LEU H H 38 7.882 8.061 -0.179 1
1 404 . 1 1 1 A 38 38 LEU HA H 38 4.103 4.029 0.074 1
1 414 . 1 1 1 A 38 38 LEU C C 38 179.042 178.729 0.313 1
1 415 . 1 1 1 A 38 38 LEU CA C 38 57.832 57.814 0.018 1
1 416 . 1 1 1 A 38 38 LEU CB C 38 41.753 41.874 -0.121 1
1 420 . 1 1 1 A 38 38 LEU N N 38 121.898 121.963 -0.065 1
1 421 . 1 1 1 A 39 39 GLY H H 39 8.212 7.910 0.302 1
1 422 . 1 1 1 A 39 39 GLY HA2 H 39 3.720 3.957 -0.237 1
1 423 . 1 1 1 A 39 39 GLY HA3 H 39 3.853 3.975 -0.122 1
1 424 . 1 1 1 A 39 39 GLY C C 39 176.507 174.979 1.528 1
1 425 . 1 1 1 A 39 39 GLY CA C 39 47.218 46.531 0.687 1
1 426 . 1 1 1 A 39 39 GLY N N 39 106.042 106.111 -0.069 1
1 427 . 1 1 1 A 40 40 ARG H H 40 7.416 7.628 -0.212 1
1 428 . 1 1 1 A 40 40 ARG HA H 40 4.031 3.928 0.103 1
1 435 . 1 1 1 A 40 40 ARG C C 40 177.974 178.634 -0.660 1
1 436 . 1 1 1 A 40 40 ARG CA C 40 57.460 58.239 -0.779 1
1 437 . 1 1 1 A 40 40 ARG CB C 40 29.051 29.689 -0.638 1
1 440 . 1 1 1 A 40 40 ARG N N 40 120.046 120.776 -0.730 1
1 441 . 1 1 1 A 41 41 VAL H H 41 7.417 8.169 -0.752 1
1 442 . 1 1 1 A 41 41 VAL HA H 41 3.285 3.415 -0.130 1
1 450 . 1 1 1 A 41 41 VAL C C 41 177.090 177.716 -0.626 1
1 451 . 1 1 1 A 41 41 VAL CA C 41 66.979 66.387 0.592 1
1 452 . 1 1 1 A 41 41 VAL CB C 41 31.059 31.587 -0.528 1
1 455 . 1 1 1 A 41 41 VAL N N 41 119.285 119.612 -0.327 1
1 456 . 1 1 1 A 42 42 VAL H H 42 7.493 8.244 -0.751 1
1 457 . 1 1 1 A 42 42 VAL HA H 42 3.395 3.682 -0.287 1
1 465 . 1 1 1 A 42 42 VAL C C 42 177.200 177.859 -0.659 1
1 466 . 1 1 1 A 42 42 VAL CA C 42 66.764 65.406 1.358 1
1 467 . 1 1 1 A 42 42 VAL CB C 42 31.296 31.191 0.105 1
1 470 . 1 1 1 A 42 42 VAL N N 42 116.606 120.207 -3.601 1
1 471 . 1 1 1 A 43 43 HIS H H 43 7.602 7.946 -0.344 1
1 472 . 1 1 1 A 43 43 HIS HA H 43 4.264 4.305 -0.041 1
1 477 . 1 1 1 A 43 43 HIS C C 43 178.854 177.956 0.898 1
1 478 . 1 1 1 A 43 43 HIS CA C 43 59.824 59.715 0.109 1
1 479 . 1 1 1 A 43 43 HIS CB C 43 30.605 29.875 0.730 1
1 482 . 1 1 1 A 43 43 HIS N N 43 118.867 119.663 -0.796 1
1 483 . 1 1 1 A 44 44 ILE H H 44 8.344 8.136 0.208 1
1 484 . 1 1 1 A 44 44 ILE HA H 44 3.375 3.648 -0.273 1
1 494 . 1 1 1 A 44 44 ILE C C 44 178.054 178.208 -0.154 1
1 495 . 1 1 1 A 44 44 ILE CA C 44 65.922 64.159 1.763 1
1 496 . 1 1 1 A 44 44 ILE CB C 44 37.950 37.615 0.335 1
1 500 . 1 1 1 A 44 44 ILE N N 44 121.530 119.959 1.571 1
1 501 . 1 1 1 A 45 45 ILE H H 45 7.604 7.618 -0.014 1
1 502 . 1 1 1 A 45 45 ILE HA H 45 3.311 3.516 -0.205 1
1 512 . 1 1 1 A 45 45 ILE C C 45 177.378 177.964 -0.586 1
1 513 . 1 1 1 A 45 45 ILE CA C 45 66.577 65.051 1.526 1
1 514 . 1 1 1 A 45 45 ILE CB C 45 38.168 37.269 0.899 1
1 518 . 1 1 1 A 45 45 ILE N N 45 117.572 121.135 -3.563 1
1 519 . 1 1 1 A 46 46 GLN H H 46 8.626 8.083 0.543 1
1 520 . 1 1 1 A 46 46 GLN HA H 46 3.719 4.023 -0.304 1
1 527 . 1 1 1 A 46 46 GLN C C 46 177.483 178.104 -0.621 1
1 528 . 1 1 1 A 46 46 GLN CA C 46 59.443 58.848 0.595 1
1 529 . 1 1 1 A 46 46 GLN CB C 46 28.832 28.281 0.551 1
1 531 . 1 1 1 A 46 46 GLN N N 46 115.916 119.009 -3.093 1
1 533 . 1 1 1 A 47 47 SER H H 47 7.862 7.625 0.237 1
1 534 . 1 1 1 A 47 47 SER HA H 47 4.064 4.226 -0.162 1
1 537 . 1 1 1 A 47 47 SER C C 47 175.615 175.279 0.336 1
1 538 . 1 1 1 A 47 47 SER CA C 47 60.602 60.716 -0.114 1
1 539 . 1 1 1 A 47 47 SER CB C 47 63.313 62.715 0.598 1
1 540 . 1 1 1 A 47 47 SER N N 47 110.902 115.445 -4.543 1
1 541 . 1 1 1 A 48 48 ARG H H 48 7.362 8.103 -0.741 1
1 542 . 1 1 1 A 48 48 ARG HA H 48 4.306 4.453 -0.147 1
1 549 . 1 1 1 A 48 48 ARG C C 48 176.365 176.011 0.354 1
1 550 . 1 1 1 A 48 48 ARG CA C 48 55.992 56.392 -0.400 1
1 551 . 1 1 1 A 48 48 ARG CB C 48 33.000 32.263 0.737 1
1 554 . 1 1 1 A 48 48 ARG N N 48 118.403 118.172 0.231 1
1 555 . 1 1 1 A 49 49 GLU H H 49 7.714 7.859 -0.145 1
1 556 . 1 1 1 A 49 49 GLU HA H 49 4.806 4.736 0.070 1
1 561 . 1 1 1 A 49 49 GLU C C 49 174.213 174.763 -0.550 1
1 562 . 1 1 1 A 49 49 GLU CA C 49 52.903 53.375 -0.472 1
1 563 . 1 1 1 A 49 49 GLU CB C 49 28.835 30.280 -1.445 1
1 565 . 1 1 1 A 49 49 GLU N N 49 118.387 119.388 -1.001 1
1 566 . 1 1 1 A 50 50 PRO HA H 50 4.273 4.286 -0.013 1
1 573 . 1 1 1 A 50 50 PRO C C 50 178.412 177.758 0.654 1
1 574 . 1 1 1 A 50 50 PRO CA C 50 64.641 64.824 -0.183 1
1 575 . 1 1 1 A 50 50 PRO CB C 50 32.045 32.066 -0.021 1
1 578 . 1 1 1 A 51 51 SER H H 51 8.290 8.213 0.077 1
1 579 . 1 1 1 A 51 51 SER HA H 51 4.271 4.287 -0.016 1
1 582 . 1 1 1 A 51 51 SER C C 51 175.130 174.922 0.208 1
1 583 . 1 1 1 A 51 51 SER CA C 51 59.824 60.602 -0.778 1
1 584 . 1 1 1 A 51 51 SER CB C 51 63.071 63.072 -0.001 1
1 585 . 1 1 1 A 51 51 SER N N 51 112.214 113.051 -0.837 1
1 586 . 1 1 1 A 52 52 LEU H H 52 7.882 7.638 0.244 1
1 587 . 1 1 1 A 52 52 LEU HA H 52 4.479 4.391 0.088 1
1 597 . 1 1 1 A 52 52 LEU C C 52 177.843 177.894 -0.051 1
1 598 . 1 1 1 A 52 52 LEU CA C 52 54.734 54.701 0.033 1
1 599 . 1 1 1 A 52 52 LEU CB C 52 42.500 42.278 0.222 1
1 603 . 1 1 1 A 52 52 LEU N N 52 121.800 118.260 3.540 1
1 604 . 1 1 1 A 53 53 LYS H H 53 7.638 8.580 -0.942 1
1 605 . 1 1 1 A 53 53 LYS HA H 53 4.022 4.066 -0.044 1
1 614 . 1 1 1 A 53 53 LYS C C 53 176.270 176.907 -0.637 1
1 615 . 1 1 1 A 53 53 LYS CA C 53 58.288 58.240 0.048 1
1 616 . 1 1 1 A 53 53 LYS CB C 53 32.924 31.271 1.653 1
1 620 . 1 1 1 A 53 53 LYS N N 53 121.559 118.786 2.773 1
1 621 . 1 1 1 A 54 54 ASN H H 54 8.266 7.815 0.451 1
1 622 . 1 1 1 A 54 54 ASN HA H 54 4.732 5.035 -0.303 1
1 627 . 1 1 1 A 54 54 ASN C C 54 175.097 174.305 0.792 1
1 628 . 1 1 1 A 54 54 ASN CA C 54 53.020 53.041 -0.021 1
1 629 . 1 1 1 A 54 54 ASN CB C 54 38.863 40.490 -1.627 1
1 630 . 1 1 1 A 54 54 ASN N N 54 116.053 117.296 -1.243 1
1 632 . 1 1 1 A 55 55 SER H H 55 7.692 7.304 0.388 1
1 633 . 1 1 1 A 55 55 SER HA H 55 4.288 4.827 -0.539 1
1 636 . 1 1 1 A 55 55 SER C C 55 173.418 173.565 -0.147 1
1 637 . 1 1 1 A 55 55 SER CA C 55 58.900 57.706 1.194 1
1 638 . 1 1 1 A 55 55 SER CB C 55 63.914 65.333 -1.419 1
1 639 . 1 1 1 A 55 55 SER N N 55 115.901 117.453 -1.552 1
1 640 . 1 1 1 A 56 56 ASN H H 56 8.574 8.498 0.076 1
1 641 . 1 1 1 A 56 56 ASN HA H 56 4.857 4.896 -0.039 1
1 646 . 1 1 1 A 56 56 ASN C C 56 174.843 175.693 -0.850 1
1 647 . 1 1 1 A 56 56 ASN CA C 56 50.974 51.233 -0.259 1
1 648 . 1 1 1 A 56 56 ASN CB C 56 38.744 39.242 -0.498 1
1 649 . 1 1 1 A 56 56 ASN N N 56 122.245 122.215 0.030 1
1 651 . 1 1 1 A 57 57 PRO HA H 57 4.079 4.491 -0.412 1
1 658 . 1 1 1 A 57 57 PRO C C 57 176.856 177.214 -0.358 1
1 659 . 1 1 1 A 57 57 PRO CA C 57 64.733 64.464 0.269 1
1 660 . 1 1 1 A 57 57 PRO CB C 57 31.968 31.952 0.016 1
1 663 . 1 1 1 A 58 58 ASP H H 58 8.024 8.505 -0.481 1
1 664 . 1 1 1 A 58 58 ASP HA H 58 4.445 4.734 -0.289 1
1 667 . 1 1 1 A 58 58 ASP C C 58 176.369 177.204 -0.835 1
1 668 . 1 1 1 A 58 58 ASP CA C 58 55.247 54.390 0.857 1
1 669 . 1 1 1 A 58 58 ASP CB C 58 40.828 41.273 -0.445 1
1 670 . 1 1 1 A 58 58 ASP N N 58 114.883 117.683 -2.800 1
1 671 . 1 1 1 A 59 59 GLU H H 59 7.663 7.819 -0.156 1
1 672 . 1 1 1 A 59 59 GLU HA H 59 4.341 4.509 -0.168 1
1 677 . 1 1 1 A 59 59 GLU C C 59 175.690 174.741 0.949 1
1 678 . 1 1 1 A 59 59 GLU CA C 59 55.425 55.818 -0.393 1
1 679 . 1 1 1 A 59 59 GLU CB C 59 31.140 31.152 -0.012 1
1 681 . 1 1 1 A 59 59 GLU N N 59 117.763 117.774 -0.011 1
1 682 . 1 1 1 A 60 60 ILE H H 60 7.457 7.537 -0.080 1
1 683 . 1 1 1 A 60 60 ILE HA H 60 3.962 4.349 -0.387 1
1 693 . 1 1 1 A 60 60 ILE C C 60 174.951 174.663 0.288 1
1 694 . 1 1 1 A 60 60 ILE CA C 60 61.416 60.792 0.624 1
1 695 . 1 1 1 A 60 60 ILE CB C 60 38.693 38.653 0.040 1
1 699 . 1 1 1 A 60 60 ILE N N 60 120.600 121.206 -0.606 1
1 700 . 1 1 1 A 61 61 GLU H H 61 8.267 8.995 -0.728 1
1 701 . 1 1 1 A 61 61 GLU HA H 61 4.333 4.660 -0.327 1
1 706 . 1 1 1 A 61 61 GLU C C 61 175.576 176.150 -0.574 1
1 707 . 1 1 1 A 61 61 GLU CA C 61 55.085 56.004 -0.919 1
1 708 . 1 1 1 A 61 61 GLU CB C 61 30.717 31.461 -0.744 1
1 710 . 1 1 1 A 61 61 GLU N N 61 126.935 127.013 -0.078 1
1 711 . 1 1 1 A 62 62 ILE H H 62 8.425 8.796 -0.371 1
1 712 . 1 1 1 A 62 62 ILE HA H 62 3.570 4.492 -0.922 1
1 722 . 1 1 1 A 62 62 ILE C C 62 174.594 173.842 0.752 1
1 723 . 1 1 1 A 62 62 ILE CA C 62 61.570 60.302 1.268 1
1 724 . 1 1 1 A 62 62 ILE CB C 62 38.187 37.793 0.394 1
1 728 . 1 1 1 A 62 62 ILE N N 62 124.857 123.680 1.177 1
1 729 . 1 1 1 A 63 63 ASP H H 63 8.459 8.403 0.056 1
1 730 . 1 1 1 A 63 63 ASP HA H 63 4.691 5.020 -0.329 1
1 733 . 1 1 1 A 63 63 ASP C C 63 177.284 176.306 0.978 1
1 734 . 1 1 1 A 63 63 ASP CA C 63 52.272 52.702 -0.430 1
1 735 . 1 1 1 A 63 63 ASP CB C 63 41.160 41.218 -0.058 1
1 736 . 1 1 1 A 63 63 ASP N N 63 126.597 128.228 -1.631 1
1 737 . 1 1 1 A 64 64 PHE H H 64 8.609 7.907 0.702 1
1 738 . 1 1 1 A 64 64 PHE HA H 64 4.016 4.152 -0.136 1
1 746 . 1 1 1 A 64 64 PHE C C 64 177.010 177.732 -0.722 1
1 747 . 1 1 1 A 64 64 PHE CA C 64 59.795 60.834 -1.039 1
1 748 . 1 1 1 A 64 64 PHE CB C 64 38.084 38.676 -0.592 1
1 754 . 1 1 1 A 64 64 PHE N N 64 123.270 124.889 -1.619 1
1 755 . 1 1 1 A 65 65 GLU H H 65 8.317 8.822 -0.505 1
1 756 . 1 1 1 A 65 65 GLU HA H 65 4.171 4.302 -0.131 1
1 761 . 1 1 1 A 65 65 GLU C C 65 177.913 177.643 0.270 1
1 762 . 1 1 1 A 65 65 GLU CA C 65 57.524 58.561 -1.037 1
1 763 . 1 1 1 A 65 65 GLU CB C 65 29.440 28.083 1.357 1
1 765 . 1 1 1 A 65 65 GLU N N 65 114.355 116.848 -2.493 1
1 766 . 1 1 1 A 66 66 THR H H 66 7.388 7.433 -0.045 1
1 767 . 1 1 1 A 66 66 THR HA H 66 4.396 4.587 -0.191 1
1 772 . 1 1 1 A 66 66 THR C C 66 174.662 174.712 -0.050 1
1 773 . 1 1 1 A 66 66 THR CA C 66 61.316 61.843 -0.527 1
1 774 . 1 1 1 A 66 66 THR CB C 66 69.711 70.789 -1.078 1
1 776 . 1 1 1 A 66 66 THR N N 66 106.424 107.062 -0.638 1
1 777 . 1 1 1 A 67 67 LEU H H 67 6.677 7.238 -0.561 1
1 778 . 1 1 1 A 67 67 LEU HA H 67 4.350 4.253 0.097 1
1 788 . 1 1 1 A 67 67 LEU C C 67 176.647 177.255 -0.608 1
1 789 . 1 1 1 A 67 67 LEU CA C 67 54.104 55.087 -0.983 1
1 790 . 1 1 1 A 67 67 LEU CB C 67 43.365 42.207 1.158 1
1 794 . 1 1 1 A 67 67 LEU N N 67 120.589 124.287 -3.698 1
1 795 . 1 1 1 A 68 68 LYS H H 68 9.947 8.815 1.132 1
1 796 . 1 1 1 A 68 68 LYS HA H 68 4.387 4.513 -0.126 1
1 805 . 1 1 1 A 68 68 LYS C C 68 176.786 176.746 0.040 1
1 806 . 1 1 1 A 68 68 LYS CA C 68 55.574 54.245 1.329 1
1 807 . 1 1 1 A 68 68 LYS CB C 68 31.897 31.869 0.028 1
1 811 . 1 1 1 A 68 68 LYS N N 68 123.363 121.710 1.653 1
1 812 . 1 1 1 A 69 69 PRO HA H 69 4.091 4.337 -0.246 1
1 819 . 1 1 1 A 69 69 PRO C C 69 178.646 177.977 0.669 1
1 820 . 1 1 1 A 69 69 PRO CA C 69 66.153 65.054 1.099 1
1 821 . 1 1 1 A 69 69 PRO CB C 69 31.985 32.009 -0.024 1
1 824 . 1 1 1 A 70 70 SER H H 70 8.490 8.273 0.217 1
1 825 . 1 1 1 A 70 70 SER HA H 70 4.231 4.195 0.036 1
1 828 . 1 1 1 A 70 70 SER C C 70 177.784 177.265 0.519 1
1 829 . 1 1 1 A 70 70 SER CA C 70 60.787 61.369 -0.582 1
1 830 . 1 1 1 A 70 70 SER CB C 70 61.797 62.224 -0.427 1
1 831 . 1 1 1 A 70 70 SER N N 70 109.802 113.217 -3.415 1
1 832 . 1 1 1 A 71 71 THR H H 71 7.340 7.782 -0.442 1
1 833 . 1 1 1 A 71 71 THR HA H 71 3.735 4.017 -0.282 1
1 838 . 1 1 1 A 71 71 THR C C 71 176.072 176.257 -0.185 1
1 839 . 1 1 1 A 71 71 THR CA C 71 65.913 66.944 -1.031 1
1 840 . 1 1 1 A 71 71 THR CB C 71 67.239 68.508 -1.269 1
1 842 . 1 1 1 A 71 71 THR N N 71 122.295 117.242 5.053 1
1 843 . 1 1 1 A 72 72 LEU H H 72 7.839 8.164 -0.325 1
1 844 . 1 1 1 A 72 72 LEU HA H 72 3.713 3.898 -0.185 1
1 854 . 1 1 1 A 72 72 LEU C C 72 178.998 179.447 -0.449 1
1 855 . 1 1 1 A 72 72 LEU CA C 72 58.622 58.036 0.586 1
1 856 . 1 1 1 A 72 72 LEU CB C 72 40.911 41.183 -0.272 1
1 859 . 1 1 1 A 72 72 LEU N N 72 120.539 120.874 -0.335 1
1 860 . 1 1 1 A 73 73 ARG H H 73 8.244 8.180 0.064 1
1 861 . 1 1 1 A 73 73 ARG HA H 73 4.100 3.922 0.178 1
1 869 . 1 1 1 A 73 73 ARG C C 73 178.935 178.947 -0.012 1
1 870 . 1 1 1 A 73 73 ARG CA C 73 57.649 59.641 -1.992 1
1 871 . 1 1 1 A 73 73 ARG CB C 73 28.923 29.803 -0.880 1
1 874 . 1 1 1 A 73 73 ARG N N 73 115.473 119.071 -3.598 1
1 876 . 1 1 1 A 74 74 GLU H H 74 7.758 7.781 -0.023 1
1 877 . 1 1 1 A 74 74 GLU HA H 74 4.139 4.124 0.015 1
1 882 . 1 1 1 A 74 74 GLU C C 74 179.640 179.667 -0.027 1
1 883 . 1 1 1 A 74 74 GLU CA C 74 59.519 58.837 0.682 1
1 884 . 1 1 1 A 74 74 GLU CB C 74 28.670 30.244 -1.574 1
1 886 . 1 1 1 A 74 74 GLU N N 74 122.400 120.193 2.207 1
1 887 . 1 1 1 A 75 75 LEU H H 75 8.387 8.392 -0.005 1
1 888 . 1 1 1 A 75 75 LEU HA H 75 4.070 4.008 0.062 1
1 898 . 1 1 1 A 75 75 LEU C C 75 178.024 179.174 -1.150 1
1 899 . 1 1 1 A 75 75 LEU CA C 75 58.147 58.104 0.043 1
1 900 . 1 1 1 A 75 75 LEU CB C 75 42.673 41.183 1.490 1
1 904 . 1 1 1 A 75 75 LEU N N 75 119.699 120.758 -1.059 1
1 905 . 1 1 1 A 76 76 GLU H H 76 8.537 8.597 -0.060 1
1 906 . 1 1 1 A 76 76 GLU HA H 76 3.751 3.871 -0.120 1
1 911 . 1 1 1 A 76 76 GLU C C 76 178.799 178.609 0.190 1
1 912 . 1 1 1 A 76 76 GLU CA C 76 59.871 59.909 -0.038 1
1 913 . 1 1 1 A 76 76 GLU CB C 76 30.145 29.122 1.023 1
1 915 . 1 1 1 A 76 76 GLU N N 76 120.074 119.678 0.396 1
1 916 . 1 1 1 A 77 77 ARG H H 77 8.032 7.689 0.343 1
1 917 . 1 1 1 A 77 77 ARG HA H 77 3.934 4.030 -0.096 1
1 924 . 1 1 1 A 77 77 ARG C C 77 179.220 178.058 1.162 1
1 925 . 1 1 1 A 77 77 ARG CA C 77 59.974 58.834 1.140 1
1 926 . 1 1 1 A 77 77 ARG CB C 77 30.413 29.721 0.692 1
1 929 . 1 1 1 A 77 77 ARG N N 77 120.100 120.625 -0.525 1
1 930 . 1 1 1 A 78 78 TYR H H 78 8.084 7.806 0.278 1
1 931 . 1 1 1 A 78 78 TYR HA H 78 4.260 4.162 0.098 1
1 938 . 1 1 1 A 78 78 TYR C C 78 178.620 177.489 1.131 1
1 939 . 1 1 1 A 78 78 TYR CA C 78 61.507 61.286 0.221 1
1 940 . 1 1 1 A 78 78 TYR CB C 78 38.440 38.694 -0.254 1
1 945 . 1 1 1 A 78 78 TYR N N 78 120.327 120.959 -0.632 1
1 946 . 1 1 1 A 79 79 VAL H H 79 9.136 7.871 1.265 1
1 947 . 1 1 1 A 79 79 VAL HA H 79 3.161 3.672 -0.511 1
1 955 . 1 1 1 A 79 79 VAL C C 79 178.067 178.401 -0.334 1
1 956 . 1 1 1 A 79 79 VAL CA C 79 67.306 65.497 1.809 1
1 957 . 1 1 1 A 79 79 VAL CB C 79 31.505 31.623 -0.118 1
1 960 . 1 1 1 A 79 79 VAL N N 79 120.576 119.041 1.535 1
1 961 . 1 1 1 A 80 80 THR H H 80 8.297 8.065 0.232 1
1 962 . 1 1 1 A 80 80 THR HA H 80 3.721 3.973 -0.252 1
1 967 . 1 1 1 A 80 80 THR C C 80 176.623 175.197 1.426 1
1 968 . 1 1 1 A 80 80 THR CA C 80 66.823 65.954 0.869 1
1 969 . 1 1 1 A 80 80 THR CB C 80 68.508 68.633 -0.125 1
1 971 . 1 1 1 A 80 80 THR N N 80 115.107 117.150 -2.043 1
1 972 . 1 1 1 A 81 81 SER H H 81 7.537 7.838 -0.301 1
1 973 . 1 1 1 A 81 81 SER HA H 81 4.165 4.574 -0.409 1
1 976 . 1 1 1 A 81 81 SER C C 81 176.196 175.434 0.762 1
1 977 . 1 1 1 A 81 81 SER CA C 81 61.371 59.159 2.212 1
1 978 . 1 1 1 A 81 81 SER CB C 81 62.826 63.620 -0.794 1
1 979 . 1 1 1 A 81 81 SER N N 81 116.178 117.024 -0.846 1
1 980 . 1 1 1 A 82 82 CYS H H 82 7.523 7.519 0.004 1
1 981 . 1 1 1 A 82 82 CYS HA H 82 4.084 4.265 -0.181 1
1 984 . 1 1 1 A 82 82 CYS C C 82 176.363 177.145 -0.782 1
1 985 . 1 1 1 A 82 82 CYS CA C 82 62.173 61.523 0.650 1
1 986 . 1 1 1 A 82 82 CYS CB C 82 27.872 27.609 0.263 1
1 987 . 1 1 1 A 82 82 CYS N N 82 118.207 119.326 -1.119 1
1 988 . 1 1 1 A 83 83 LEU H H 83 7.652 7.633 0.019 1
1 989 . 1 1 1 A 83 83 LEU HA H 83 4.216 4.227 -0.011 1
1 999 . 1 1 1 A 83 83 LEU C C 83 177.349 176.311 1.038 1
1 1000 . 1 1 1 A 83 83 LEU CA C 83 55.521 56.026 -0.505 1
1 1001 . 1 1 1 A 83 83 LEU CB C 83 42.550 42.928 -0.378 1
1 1005 . 1 1 1 A 83 83 LEU N N 83 118.141 119.710 -1.569 1
1 1006 . 1 1 1 A 84 84 ARG H H 84 7.754 7.564 0.190 1
1 1007 . 1 1 1 A 84 84 ARG HA H 84 4.153 4.777 -0.624 1
1 1014 . 1 1 1 A 84 84 ARG C C 84 176.300 174.044 2.256 1
1 1015 . 1 1 1 A 84 84 ARG CA C 84 56.829 55.179 1.650 1
1 1016 . 1 1 1 A 84 84 ARG CB C 84 29.926 33.751 -3.825 1
1 1019 . 1 1 1 A 84 84 ARG N N 84 118.881 117.994 0.887 1
1 1020 . 1 1 1 A 85 85 LYS H H 85 7.904 8.854 -0.950 1
1 1021 . 1 1 1 A 85 85 LYS HA H 85 4.178 5.099 -0.921 1
1 1030 . 1 1 1 A 85 85 LYS C C 85 176.549 174.111 2.438 1
1 1031 . 1 1 1 A 85 85 LYS CA C 85 56.514 54.856 1.658 1
1 1032 . 1 1 1 A 85 85 LYS CB C 85 32.931 36.525 -3.594 1
1 1036 . 1 1 1 A 85 85 LYS N N 85 120.528 120.360 0.168 1
1 1037 . 1 1 1 A 86 86 LYS H H 86 8.139 8.842 -0.703 1
1 1038 . 1 1 1 A 86 86 LYS HA H 86 4.194 4.940 -0.746 1
1 1047 . 1 1 1 A 86 86 LYS C C 86 176.395 174.868 1.527 1
1 1048 . 1 1 1 A 86 86 LYS CA C 86 56.244 55.015 1.229 1
1 1049 . 1 1 1 A 86 86 LYS CB C 86 32.971 34.004 -1.033 1
1 1053 . 1 1 1 A 86 86 LYS N N 86 121.979 121.138 0.841 1
1 1054 . 1 1 1 A 87 87 ARG H H 87 8.242 8.663 -0.421 1
1 1055 . 1 1 1 A 87 87 ARG HA H 87 4.223 4.977 -0.754 1
1 1062 . 1 1 1 A 87 87 ARG C C 87 175.989 174.067 1.922 1
1 1063 . 1 1 1 A 87 87 ARG CA C 87 55.953 54.943 1.010 1
1 1064 . 1 1 1 A 87 87 ARG CB C 87 31.019 33.940 -2.921 1
1 1067 . 1 1 1 A 87 87 ARG N N 87 122.606 126.510 -3.904 1
1 1068 . 1 1 1 A 88 88 LYS H H 88 8.318 8.629 -0.311 1
1 1069 . 1 1 1 A 88 88 LYS HA H 88 4.506 4.970 -0.464 1
1 1074 . 1 1 1 A 88 88 LYS C C 88 174.589 173.499 1.090 1
1 1075 . 1 1 1 A 88 88 LYS CA C 88 54.349 53.647 0.702 1
1 1076 . 1 1 1 A 88 88 LYS CB C 88 32.576 33.280 -0.704 1
1 1077 . 1 1 1 A 88 88 LYS N N 88 124.253 125.103 -0.850 1
1 1078 . 1 1 1 A 89 89 PRO HA H 89 4.327 4.807 -0.480 1
1 1085 . 1 1 1 A 89 89 PRO C C 89 176.044 175.362 0.682 1
1 1086 . 1 1 1 A 89 89 PRO CA C 89 63.489 62.493 0.996 1
1 1087 . 1 1 1 A 89 89 PRO CB C 89 31.921 33.240 -1.319 1
1 1 . 2 1 1 A 4 4 GLY C C 4 174.318 174.815 -0.497 1
1 2 . 2 1 1 A 4 4 GLY CA C 4 45.318 46.048 -0.730 1
1 3 . 2 1 1 A 5 5 SER H H 5 8.211 8.090 0.121 1
1 4 . 2 1 1 A 5 5 SER HA H 5 4.460 4.351 0.109 1
1 7 . 2 1 1 A 5 5 SER C C 5 174.891 174.288 0.603 1
1 8 . 2 1 1 A 5 5 SER CA C 5 58.299 59.712 -1.413 1
1 9 . 2 1 1 A 5 5 SER CB C 5 64.052 63.172 0.880 1
1 10 . 2 1 1 A 5 5 SER N N 5 115.510 119.112 -3.602 1
1 11 . 2 1 1 A 6 6 SER H H 6 8.444 8.287 0.157 1
1 12 . 2 1 1 A 6 6 SER HA H 6 4.428 4.894 -0.466 1
1 15 . 2 1 1 A 6 6 SER C C 6 175.096 173.266 1.830 1
1 16 . 2 1 1 A 6 6 SER CA C 6 58.706 57.496 1.210 1
1 17 . 2 1 1 A 6 6 SER CB C 6 63.920 67.142 -3.222 1
1 18 . 2 1 1 A 6 6 SER N N 6 117.613 119.890 -2.277 1
1 19 . 2 1 1 A 7 7 GLY H H 7 8.359 8.579 -0.220 1
1 20 . 2 1 1 A 7 7 GLY HA2 H 7 3.916 4.171 -0.255 1
1 21 . 2 1 1 A 7 7 GLY HA3 H 7 3.916 4.171 -0.255 1
1 22 . 2 1 1 A 7 7 GLY C C 7 174.309 172.731 1.578 1
1 23 . 2 1 1 A 7 7 GLY CA C 7 45.399 44.461 0.938 1
1 24 . 2 1 1 A 7 7 GLY N N 7 110.468 109.433 1.035 1
1 25 . 2 1 1 A 8 8 GLU H H 8 8.235 8.707 -0.472 1
1 26 . 2 1 1 A 8 8 GLU HA H 8 4.248 5.155 -0.907 1
1 31 . 2 1 1 A 8 8 GLU C C 8 176.732 175.782 0.950 1
1 32 . 2 1 1 A 8 8 GLU CA C 8 56.630 54.740 1.890 1
1 33 . 2 1 1 A 8 8 GLU CB C 8 30.243 34.001 -3.758 1
1 35 . 2 1 1 A 8 8 GLU N N 8 120.254 119.501 0.753 1
1 36 . 2 1 1 A 9 9 SER H H 9 8.327 8.852 -0.525 1
1 37 . 2 1 1 A 9 9 SER HA H 9 4.385 4.958 -0.573 1
1 40 . 2 1 1 A 9 9 SER C C 9 174.682 175.124 -0.442 1
1 41 . 2 1 1 A 9 9 SER CA C 9 58.470 57.390 1.080 1
1 42 . 2 1 1 A 9 9 SER CB C 9 63.742 64.654 -0.912 1
1 43 . 2 1 1 A 9 9 SER N N 9 116.213 117.636 -1.423 1
1 44 . 2 1 1 A 10 10 GLU H H 10 8.428 8.004 0.424 1
1 45 . 2 1 1 A 10 10 GLU HA H 10 4.232 3.895 0.337 1
1 50 . 2 1 1 A 10 10 GLU C C 10 176.769 178.749 -1.980 1
1 51 . 2 1 1 A 10 10 GLU CA C 10 56.887 59.871 -2.984 1
1 52 . 2 1 1 A 10 10 GLU CB C 10 30.267 29.386 0.881 1
1 54 . 2 1 1 A 10 10 GLU N N 10 122.618 123.239 -0.621 1
1 55 . 2 1 1 A 11 11 GLU H H 11 8.315 7.913 0.402 1
1 56 . 2 1 1 A 11 11 GLU HA H 11 4.179 4.138 0.041 1
1 61 . 2 1 1 A 11 11 GLU C C 11 177.182 178.348 -1.166 1
1 62 . 2 1 1 A 11 11 GLU CA C 11 56.896 57.995 -1.099 1
1 63 . 2 1 1 A 11 11 GLU CB C 11 30.317 29.624 0.693 1
1 65 . 2 1 1 A 11 11 GLU N N 11 120.909 119.134 1.775 1
1 66 . 2 1 1 A 12 12 GLU H H 12 8.333 8.366 -0.033 1
1 67 . 2 1 1 A 12 12 GLU HA H 12 4.100 4.373 -0.273 1
1 72 . 2 1 1 A 12 12 GLU C C 12 176.860 177.233 -0.373 1
1 73 . 2 1 1 A 12 12 GLU CA C 12 57.495 58.233 -0.738 1
1 74 . 2 1 1 A 12 12 GLU CB C 12 30.221 30.302 -0.081 1
1 76 . 2 1 1 A 12 12 GLU N N 12 121.578 119.801 1.777 1
1 77 . 2 1 1 A 13 13 ASP H H 13 8.332 7.873 0.459 1
1 78 . 2 1 1 A 13 13 ASP HA H 13 4.468 5.045 -0.577 1
1 81 . 2 1 1 A 13 13 ASP C C 13 176.833 176.544 0.289 1
1 82 . 2 1 1 A 13 13 ASP CA C 13 54.921 53.105 1.816 1
1 83 . 2 1 1 A 13 13 ASP CB C 13 40.912 41.773 -0.861 1
1 84 . 2 1 1 A 13 13 ASP N N 13 120.147 117.344 2.803 1
1 85 . 2 1 1 A 14 14 LYS H H 14 8.014 8.070 -0.056 1
1 86 . 2 1 1 A 14 14 LYS HA H 14 4.204 4.096 0.108 1
1 95 . 2 1 1 A 14 14 LYS C C 14 176.568 176.406 0.162 1
1 96 . 2 1 1 A 14 14 LYS CA C 14 56.558 58.607 -2.049 1
1 97 . 2 1 1 A 14 14 LYS CB C 14 32.598 32.656 -0.058 1
1 101 . 2 1 1 A 14 14 LYS N N 14 120.485 119.744 0.741 1
1 102 . 2 1 1 A 15 15 CYS H H 15 8.013 7.620 0.393 1
1 103 . 2 1 1 A 15 15 CYS HA H 15 4.304 4.922 -0.618 1
1 106 . 2 1 1 A 15 15 CYS C C 15 173.801 172.740 1.061 1
1 107 . 2 1 1 A 15 15 CYS CA C 15 58.337 58.119 0.218 1
1 108 . 2 1 1 A 15 15 CYS CB C 15 28.061 32.871 -4.810 1
1 109 . 2 1 1 A 15 15 CYS N N 15 118.099 115.920 2.179 1
1 110 . 2 1 1 A 16 16 LYS H H 16 8.287 8.370 -0.083 1
1 111 . 2 1 1 A 16 16 LYS HA H 16 4.491 4.785 -0.294 1
1 120 . 2 1 1 A 16 16 LYS C C 16 175.117 174.116 1.001 1
1 121 . 2 1 1 A 16 16 LYS CA C 16 54.512 53.074 1.438 1
1 122 . 2 1 1 A 16 16 LYS CB C 16 32.697 33.304 -0.607 1
1 124 . 2 1 1 A 16 16 LYS N N 16 125.369 121.968 3.401 1
1 125 . 2 1 1 A 17 17 PRO HA H 17 4.247 4.590 -0.343 1
1 132 . 2 1 1 A 17 17 PRO C C 17 176.956 175.403 1.553 1
1 133 . 2 1 1 A 17 17 PRO CA C 17 63.088 62.820 0.268 1
1 134 . 2 1 1 A 17 17 PRO CB C 17 32.244 32.422 -0.178 1
1 137 . 2 1 1 A 18 18 MET H H 18 8.516 8.609 -0.093 1
1 138 . 2 1 1 A 18 18 MET HA H 18 4.488 4.985 -0.497 1
1 146 . 2 1 1 A 18 18 MET C C 18 176.759 175.865 0.894 1
1 147 . 2 1 1 A 18 18 MET CA C 18 56.169 54.192 1.977 1
1 148 . 2 1 1 A 18 18 MET CB C 18 35.531 34.003 1.528 1
1 151 . 2 1 1 A 18 18 MET N N 18 121.801 121.277 0.524 1
1 152 . 2 1 1 A 19 19 SER H H 19 9.100 9.011 0.089 1
1 153 . 2 1 1 A 19 19 SER HA H 19 4.459 4.766 -0.307 1
1 156 . 2 1 1 A 19 19 SER C C 19 175.018 174.923 0.095 1
1 157 . 2 1 1 A 19 19 SER CA C 19 56.894 57.617 -0.723 1
1 158 . 2 1 1 A 19 19 SER CB C 19 65.854 64.198 1.656 1
1 159 . 2 1 1 A 19 19 SER N N 19 119.212 119.682 -0.470 1
1 160 . 2 1 1 A 20 20 TYR H H 20 8.959 9.353 -0.394 1
1 161 . 2 1 1 A 20 20 TYR HA H 20 4.029 4.112 -0.083 1
1 168 . 2 1 1 A 20 20 TYR C C 20 177.960 177.246 0.714 1
1 169 . 2 1 1 A 20 20 TYR CA C 20 62.463 62.618 -0.155 1
1 170 . 2 1 1 A 20 20 TYR CB C 20 38.009 38.923 -0.914 1
1 175 . 2 1 1 A 20 20 TYR N N 20 121.218 126.610 -5.392 1
1 176 . 2 1 1 A 21 21 GLU H H 21 8.825 8.166 0.659 1
1 177 . 2 1 1 A 21 21 GLU HA H 21 3.811 3.615 0.196 1
1 182 . 2 1 1 A 21 21 GLU C C 21 179.481 178.860 0.621 1
1 183 . 2 1 1 A 21 21 GLU CA C 21 59.951 59.886 0.065 1
1 184 . 2 1 1 A 21 21 GLU CB C 21 28.823 29.360 -0.537 1
1 186 . 2 1 1 A 21 21 GLU N N 21 118.696 117.985 0.711 1
1 187 . 2 1 1 A 22 22 GLU H H 22 7.771 7.998 -0.227 1
1 188 . 2 1 1 A 22 22 GLU HA H 22 3.899 4.078 -0.179 1
1 193 . 2 1 1 A 22 22 GLU C C 22 179.680 179.230 0.450 1
1 194 . 2 1 1 A 22 22 GLU CA C 22 59.498 59.058 0.440 1
1 195 . 2 1 1 A 22 22 GLU CB C 22 30.385 29.566 0.819 1
1 197 . 2 1 1 A 22 22 GLU N N 22 120.141 120.099 0.042 1
1 198 . 2 1 1 A 23 23 LYS H H 23 8.101 7.972 0.129 1
1 199 . 2 1 1 A 23 23 LYS HA H 23 3.662 3.946 -0.284 1
1 208 . 2 1 1 A 23 23 LYS C C 23 178.250 178.863 -0.613 1
1 209 . 2 1 1 A 23 23 LYS CA C 23 60.345 59.741 0.604 1
1 210 . 2 1 1 A 23 23 LYS CB C 23 32.611 32.157 0.454 1
1 214 . 2 1 1 A 23 23 LYS N N 23 120.594 119.184 1.410 1
1 215 . 2 1 1 A 24 24 ARG H H 24 8.030 7.740 0.290 1
1 216 . 2 1 1 A 24 24 ARG HA H 24 3.721 3.680 0.041 1
1 223 . 2 1 1 A 24 24 ARG C C 24 178.992 178.632 0.360 1
1 224 . 2 1 1 A 24 24 ARG CA C 24 59.055 59.083 -0.028 1
1 225 . 2 1 1 A 24 24 ARG CB C 24 29.623 29.724 -0.101 1
1 228 . 2 1 1 A 24 24 ARG N N 24 120.100 118.542 1.558 1
1 229 . 2 1 1 A 25 25 GLN H H 25 7.940 7.778 0.162 1
1 230 . 2 1 1 A 25 25 GLN HA H 25 3.706 3.930 -0.224 1
1 237 . 2 1 1 A 25 25 GLN C C 25 177.078 177.855 -0.777 1
1 238 . 2 1 1 A 25 25 GLN CA C 25 58.104 58.636 -0.532 1
1 239 . 2 1 1 A 25 25 GLN CB C 25 28.294 28.100 0.194 1
1 241 . 2 1 1 A 25 25 GLN N N 25 118.586 119.446 -0.860 1
1 243 . 2 1 1 A 26 26 LEU H H 26 7.843 8.096 -0.253 1
1 244 . 2 1 1 A 26 26 LEU HA H 26 4.182 4.078 0.104 1
1 254 . 2 1 1 A 26 26 LEU C C 26 178.116 178.579 -0.463 1
1 255 . 2 1 1 A 26 26 LEU CA C 26 57.867 58.005 -0.138 1
1 256 . 2 1 1 A 26 26 LEU CB C 26 41.167 41.383 -0.216 1
1 259 . 2 1 1 A 26 26 LEU N N 26 119.570 121.556 -1.986 1
1 260 . 2 1 1 A 27 27 SER H H 27 7.710 7.494 0.216 1
1 261 . 2 1 1 A 27 27 SER HA H 27 3.869 4.297 -0.428 1
1 264 . 2 1 1 A 27 27 SER C C 27 176.845 177.579 -0.734 1
1 265 . 2 1 1 A 27 27 SER CA C 27 61.478 61.353 0.125 1
1 266 . 2 1 1 A 27 27 SER CB C 27 62.828 62.695 0.133 1
1 267 . 2 1 1 A 27 27 SER N N 27 112.126 114.756 -2.630 1
1 268 . 2 1 1 A 28 28 LEU H H 28 7.613 8.166 -0.553 1
1 269 . 2 1 1 A 28 28 LEU HA H 28 3.954 3.972 -0.018 1
1 279 . 2 1 1 A 28 28 LEU C C 28 180.044 178.818 1.226 1
1 280 . 2 1 1 A 28 28 LEU CA C 28 57.862 57.929 -0.067 1
1 281 . 2 1 1 A 28 28 LEU CB C 28 41.703 41.434 0.269 1
1 285 . 2 1 1 A 28 28 LEU N N 28 120.774 121.646 -0.872 1
1 286 . 2 1 1 A 29 29 ASP H H 29 8.476 8.090 0.386 1
1 287 . 2 1 1 A 29 29 ASP HA H 29 4.236 4.465 -0.229 1
1 290 . 2 1 1 A 29 29 ASP C C 29 179.532 179.063 0.469 1
1 291 . 2 1 1 A 29 29 ASP CA C 29 57.618 57.431 0.187 1
1 292 . 2 1 1 A 29 29 ASP CB C 29 40.447 40.118 0.329 1
1 293 . 2 1 1 A 29 29 ASP N N 29 120.971 119.094 1.877 1
1 294 . 2 1 1 A 30 30 ILE H H 30 8.558 7.876 0.682 1
1 295 . 2 1 1 A 30 30 ILE HA H 30 3.564 3.583 -0.019 1
1 305 . 2 1 1 A 30 30 ILE C C 30 178.098 178.174 -0.076 1
1 306 . 2 1 1 A 30 30 ILE CA C 30 65.616 65.319 0.297 1
1 307 . 2 1 1 A 30 30 ILE CB C 30 37.697 37.790 -0.093 1
1 311 . 2 1 1 A 30 30 ILE N N 30 120.240 120.968 -0.728 1
1 312 . 2 1 1 A 31 31 ASN H H 31 7.350 8.478 -1.128 1
1 313 . 2 1 1 A 31 31 ASN HA H 31 4.560 4.423 0.137 1
1 318 . 2 1 1 A 31 31 ASN C C 31 175.952 177.484 -1.532 1
1 319 . 2 1 1 A 31 31 ASN CA C 31 54.997 56.904 -1.907 1
1 320 . 2 1 1 A 31 31 ASN CB C 31 38.769 37.849 0.920 1
1 321 . 2 1 1 A 31 31 ASN N N 31 115.285 117.654 -2.369 1
1 323 . 2 1 1 A 32 32 LYS H H 32 7.509 7.217 0.292 1
1 324 . 2 1 1 A 32 32 LYS HA H 32 4.286 4.308 -0.022 1
1 333 . 2 1 1 A 32 32 LYS C C 32 177.232 176.726 0.506 1
1 334 . 2 1 1 A 32 32 LYS CA C 32 56.330 56.918 -0.588 1
1 335 . 2 1 1 A 32 32 LYS CB C 32 33.570 32.723 0.847 1
1 339 . 2 1 1 A 32 32 LYS N N 32 117.496 116.749 0.747 1
1 340 . 2 1 1 A 33 33 LEU H H 33 7.455 7.484 -0.029 1
1 341 . 2 1 1 A 33 33 LEU HA H 33 4.265 4.462 -0.197 1
1 351 . 2 1 1 A 33 33 LEU CA C 33 53.436 52.559 0.877 1
1 352 . 2 1 1 A 33 33 LEU CB C 33 41.464 41.689 -0.225 1
1 356 . 2 1 1 A 33 33 LEU N N 33 120.501 121.204 -0.703 1
1 357 . 2 1 1 A 34 34 PRO HA H 34 4.561 4.706 -0.145 1
1 364 . 2 1 1 A 34 34 PRO C C 34 178.359 177.593 0.766 1
1 365 . 2 1 1 A 34 34 PRO CA C 34 62.251 62.310 -0.059 1
1 366 . 2 1 1 A 34 34 PRO CB C 34 32.489 32.802 -0.313 1
1 369 . 2 1 1 A 35 35 GLY H H 35 8.865 8.688 0.177 1
1 370 . 2 1 1 A 35 35 GLY HA2 H 35 3.709 3.828 -0.119 1
1 371 . 2 1 1 A 35 35 GLY HA3 H 35 4.005 3.834 0.171 1
1 372 . 2 1 1 A 35 35 GLY C C 35 176.845 175.809 1.036 1
1 373 . 2 1 1 A 35 35 GLY CA C 35 48.165 47.243 0.922 1
1 374 . 2 1 1 A 35 35 GLY N N 35 109.986 109.070 0.916 1
1 375 . 2 1 1 A 36 36 GLU H H 36 9.360 9.022 0.338 1
1 376 . 2 1 1 A 36 36 GLU HA H 36 4.233 4.089 0.144 1
1 381 . 2 1 1 A 36 36 GLU C C 36 178.326 177.987 0.339 1
1 382 . 2 1 1 A 36 36 GLU CA C 36 58.964 58.723 0.241 1
1 383 . 2 1 1 A 36 36 GLU CB C 36 28.689 28.293 0.396 1
1 385 . 2 1 1 A 36 36 GLU N N 36 119.485 121.139 -1.654 1
1 386 . 2 1 1 A 37 37 LYS H H 37 7.734 7.823 -0.089 1
1 387 . 2 1 1 A 37 37 LYS HA H 37 4.516 4.489 0.027 1
1 396 . 2 1 1 A 37 37 LYS C C 37 178.698 178.605 0.093 1
1 397 . 2 1 1 A 37 37 LYS CA C 37 55.977 56.903 -0.926 1
1 398 . 2 1 1 A 37 37 LYS CB C 37 32.981 33.087 -0.106 1
1 402 . 2 1 1 A 37 37 LYS N N 37 116.668 119.168 -2.500 1
1 403 . 2 1 1 A 38 38 LEU H H 38 7.882 8.206 -0.324 1
1 404 . 2 1 1 A 38 38 LEU HA H 38 4.103 3.971 0.132 1
1 414 . 2 1 1 A 38 38 LEU C C 38 179.042 178.742 0.300 1
1 415 . 2 1 1 A 38 38 LEU CA C 38 57.832 57.914 -0.082 1
1 416 . 2 1 1 A 38 38 LEU CB C 38 41.753 41.920 -0.167 1
1 420 . 2 1 1 A 38 38 LEU N N 38 121.898 121.881 0.017 1
1 421 . 2 1 1 A 39 39 GLY H H 39 8.212 8.211 0.001 1
1 422 . 2 1 1 A 39 39 GLY HA2 H 39 3.720 4.038 -0.318 1
1 423 . 2 1 1 A 39 39 GLY HA3 H 39 3.853 4.045 -0.192 1
1 424 . 2 1 1 A 39 39 GLY C C 39 176.507 175.153 1.354 1
1 425 . 2 1 1 A 39 39 GLY CA C 39 47.218 46.628 0.590 1
1 426 . 2 1 1 A 39 39 GLY N N 39 106.042 106.232 -0.190 1
1 427 . 2 1 1 A 40 40 ARG H H 40 7.416 7.582 -0.166 1
1 428 . 2 1 1 A 40 40 ARG HA H 40 4.031 4.114 -0.083 1
1 435 . 2 1 1 A 40 40 ARG C C 40 177.974 178.805 -0.831 1
1 436 . 2 1 1 A 40 40 ARG CA C 40 57.460 58.321 -0.861 1
1 437 . 2 1 1 A 40 40 ARG CB C 40 29.051 30.110 -1.059 1
1 440 . 2 1 1 A 40 40 ARG N N 40 120.046 120.886 -0.840 1
1 441 . 2 1 1 A 41 41 VAL H H 41 7.417 8.297 -0.880 1
1 442 . 2 1 1 A 41 41 VAL HA H 41 3.285 3.589 -0.304 1
1 450 . 2 1 1 A 41 41 VAL C C 41 177.090 177.959 -0.869 1
1 451 . 2 1 1 A 41 41 VAL CA C 41 66.979 66.518 0.461 1
1 452 . 2 1 1 A 41 41 VAL CB C 41 31.059 31.534 -0.475 1
1 455 . 2 1 1 A 41 41 VAL N N 41 119.285 119.800 -0.515 1
1 456 . 2 1 1 A 42 42 VAL H H 42 7.493 8.217 -0.724 1
1 457 . 2 1 1 A 42 42 VAL HA H 42 3.395 3.740 -0.345 1
1 465 . 2 1 1 A 42 42 VAL C C 42 177.200 177.626 -0.426 1
1 466 . 2 1 1 A 42 42 VAL CA C 42 66.764 65.331 1.433 1
1 467 . 2 1 1 A 42 42 VAL CB C 42 31.296 31.110 0.186 1
1 470 . 2 1 1 A 42 42 VAL N N 42 116.606 119.759 -3.153 1
1 471 . 2 1 1 A 43 43 HIS H H 43 7.602 8.001 -0.399 1
1 472 . 2 1 1 A 43 43 HIS HA H 43 4.264 4.312 -0.048 1
1 477 . 2 1 1 A 43 43 HIS C C 43 178.854 177.787 1.067 1
1 478 . 2 1 1 A 43 43 HIS CA C 43 59.824 60.136 -0.312 1
1 479 . 2 1 1 A 43 43 HIS CB C 43 30.605 29.640 0.965 1
1 482 . 2 1 1 A 43 43 HIS N N 43 118.867 119.627 -0.760 1
1 483 . 2 1 1 A 44 44 ILE H H 44 8.344 7.968 0.376 1
1 484 . 2 1 1 A 44 44 ILE HA H 44 3.375 3.563 -0.188 1
1 494 . 2 1 1 A 44 44 ILE C C 44 178.054 177.920 0.134 1
1 495 . 2 1 1 A 44 44 ILE CA C 44 65.922 64.413 1.509 1
1 496 . 2 1 1 A 44 44 ILE CB C 44 37.950 37.588 0.362 1
1 500 . 2 1 1 A 44 44 ILE N N 44 121.530 120.138 1.392 1
1 501 . 2 1 1 A 45 45 ILE H H 45 7.604 7.664 -0.060 1
1 502 . 2 1 1 A 45 45 ILE HA H 45 3.311 3.552 -0.241 1
1 512 . 2 1 1 A 45 45 ILE C C 45 177.378 178.135 -0.757 1
1 513 . 2 1 1 A 45 45 ILE CA C 45 66.577 64.933 1.644 1
1 514 . 2 1 1 A 45 45 ILE CB C 45 38.168 37.543 0.625 1
1 518 . 2 1 1 A 45 45 ILE N N 45 117.572 120.630 -3.058 1
1 519 . 2 1 1 A 46 46 GLN H H 46 8.626 7.982 0.644 1
1 520 . 2 1 1 A 46 46 GLN HA H 46 3.719 4.014 -0.295 1
1 527 . 2 1 1 A 46 46 GLN C C 46 177.483 177.480 0.003 1
1 528 . 2 1 1 A 46 46 GLN CA C 46 59.443 58.333 1.110 1
1 529 . 2 1 1 A 46 46 GLN CB C 46 28.832 28.514 0.318 1
1 531 . 2 1 1 A 46 46 GLN N N 46 115.916 118.946 -3.030 1
1 533 . 2 1 1 A 47 47 SER H H 47 7.862 7.849 0.013 1
1 534 . 2 1 1 A 47 47 SER HA H 47 4.064 4.178 -0.114 1
1 537 . 2 1 1 A 47 47 SER C C 47 175.615 175.408 0.207 1
1 538 . 2 1 1 A 47 47 SER CA C 47 60.602 60.814 -0.212 1
1 539 . 2 1 1 A 47 47 SER CB C 47 63.313 62.915 0.398 1
1 540 . 2 1 1 A 47 47 SER N N 47 110.902 115.409 -4.507 1
1 541 . 2 1 1 A 48 48 ARG H H 48 7.362 7.986 -0.624 1
1 542 . 2 1 1 A 48 48 ARG HA H 48 4.306 4.389 -0.083 1
1 549 . 2 1 1 A 48 48 ARG C C 48 176.365 176.460 -0.095 1
1 550 . 2 1 1 A 48 48 ARG CA C 48 55.992 57.225 -1.233 1
1 551 . 2 1 1 A 48 48 ARG CB C 48 33.000 31.358 1.642 1
1 554 . 2 1 1 A 48 48 ARG N N 48 118.403 118.131 0.272 1
1 555 . 2 1 1 A 49 49 GLU H H 49 7.714 7.683 0.031 1
1 556 . 2 1 1 A 49 49 GLU HA H 49 4.806 4.685 0.121 1
1 561 . 2 1 1 A 49 49 GLU C C 49 174.213 174.759 -0.546 1
1 562 . 2 1 1 A 49 49 GLU CA C 49 52.903 53.421 -0.518 1
1 563 . 2 1 1 A 49 49 GLU CB C 49 28.835 30.019 -1.184 1
1 565 . 2 1 1 A 49 49 GLU N N 49 118.387 119.719 -1.332 1
1 566 . 2 1 1 A 50 50 PRO HA H 50 4.273 4.304 -0.031 1
1 573 . 2 1 1 A 50 50 PRO C C 50 178.412 178.156 0.256 1
1 574 . 2 1 1 A 50 50 PRO CA C 50 64.641 64.508 0.133 1
1 575 . 2 1 1 A 50 50 PRO CB C 50 32.045 32.003 0.042 1
1 578 . 2 1 1 A 51 51 SER H H 51 8.290 8.201 0.089 1
1 579 . 2 1 1 A 51 51 SER HA H 51 4.271 4.220 0.051 1
1 582 . 2 1 1 A 51 51 SER C C 51 175.130 177.363 -2.233 1
1 583 . 2 1 1 A 51 51 SER CA C 51 59.824 61.378 -1.554 1
1 584 . 2 1 1 A 51 51 SER CB C 51 63.071 63.019 0.052 1
1 585 . 2 1 1 A 51 51 SER N N 51 112.214 112.732 -0.518 1
1 586 . 2 1 1 A 52 52 LEU H H 52 7.882 8.365 -0.483 1
1 587 . 2 1 1 A 52 52 LEU HA H 52 4.479 4.178 0.301 1
1 597 . 2 1 1 A 52 52 LEU C C 52 177.843 179.111 -1.268 1
1 598 . 2 1 1 A 52 52 LEU CA C 52 54.734 56.942 -2.208 1
1 599 . 2 1 1 A 52 52 LEU CB C 52 42.500 40.971 1.529 1
1 603 . 2 1 1 A 52 52 LEU N N 52 121.800 121.657 0.143 1
1 604 . 2 1 1 A 53 53 LYS H H 53 7.638 7.884 -0.246 1
1 605 . 2 1 1 A 53 53 LYS HA H 53 4.022 3.972 0.050 1
1 614 . 2 1 1 A 53 53 LYS C C 53 176.270 177.828 -1.558 1
1 615 . 2 1 1 A 53 53 LYS CA C 53 58.288 59.197 -0.909 1
1 616 . 2 1 1 A 53 53 LYS CB C 53 32.924 32.067 0.857 1
1 620 . 2 1 1 A 53 53 LYS N N 53 121.559 120.803 0.756 1
1 621 . 2 1 1 A 54 54 ASN H H 54 8.266 7.425 0.841 1
1 622 . 2 1 1 A 54 54 ASN HA H 54 4.732 4.828 -0.096 1
1 627 . 2 1 1 A 54 54 ASN C C 54 175.097 174.924 0.173 1
1 628 . 2 1 1 A 54 54 ASN CA C 54 53.020 53.190 -0.170 1
1 629 . 2 1 1 A 54 54 ASN CB C 54 38.863 39.078 -0.215 1
1 630 . 2 1 1 A 54 54 ASN N N 54 116.053 115.278 0.775 1
1 632 . 2 1 1 A 55 55 SER H H 55 7.692 7.567 0.125 1
1 633 . 2 1 1 A 55 55 SER HA H 55 4.288 4.847 -0.559 1
1 636 . 2 1 1 A 55 55 SER C C 55 173.418 173.299 0.119 1
1 637 . 2 1 1 A 55 55 SER CA C 55 58.900 57.494 1.406 1
1 638 . 2 1 1 A 55 55 SER CB C 55 63.914 65.296 -1.382 1
1 639 . 2 1 1 A 55 55 SER N N 55 115.901 117.434 -1.533 1
1 640 . 2 1 1 A 56 56 ASN H H 56 8.574 8.502 0.072 1
1 641 . 2 1 1 A 56 56 ASN HA H 56 4.857 4.859 -0.002 1
1 646 . 2 1 1 A 56 56 ASN C C 56 174.843 175.568 -0.725 1
1 647 . 2 1 1 A 56 56 ASN CA C 56 50.974 51.194 -0.220 1
1 648 . 2 1 1 A 56 56 ASN CB C 56 38.744 39.386 -0.642 1
1 649 . 2 1 1 A 56 56 ASN N N 56 122.245 122.120 0.125 1
1 651 . 2 1 1 A 57 57 PRO HA H 57 4.079 4.277 -0.198 1
1 658 . 2 1 1 A 57 57 PRO C C 57 176.856 177.847 -0.991 1
1 659 . 2 1 1 A 57 57 PRO CA C 57 64.733 64.995 -0.262 1
1 660 . 2 1 1 A 57 57 PRO CB C 57 31.968 31.955 0.013 1
1 663 . 2 1 1 A 58 58 ASP H H 58 8.024 8.555 -0.531 1
1 664 . 2 1 1 A 58 58 ASP HA H 58 4.445 4.479 -0.034 1
1 667 . 2 1 1 A 58 58 ASP C C 58 176.369 177.300 -0.931 1
1 668 . 2 1 1 A 58 58 ASP CA C 58 55.247 55.816 -0.569 1
1 669 . 2 1 1 A 58 58 ASP CB C 58 40.828 40.242 0.586 1
1 670 . 2 1 1 A 58 58 ASP N N 58 114.883 116.256 -1.373 1
1 671 . 2 1 1 A 59 59 GLU H H 59 7.663 7.449 0.214 1
1 672 . 2 1 1 A 59 59 GLU HA H 59 4.341 4.399 -0.058 1
1 677 . 2 1 1 A 59 59 GLU C C 59 175.690 176.168 -0.478 1
1 678 . 2 1 1 A 59 59 GLU CA C 59 55.425 56.471 -1.046 1
1 679 . 2 1 1 A 59 59 GLU CB C 59 31.140 30.206 0.934 1
1 681 . 2 1 1 A 59 59 GLU N N 59 117.763 117.421 0.342 1
1 682 . 2 1 1 A 60 60 ILE H H 60 7.457 7.079 0.378 1
1 683 . 2 1 1 A 60 60 ILE HA H 60 3.962 4.192 -0.230 1
1 693 . 2 1 1 A 60 60 ILE C C 60 174.951 174.893 0.058 1
1 694 . 2 1 1 A 60 60 ILE CA C 60 61.416 60.654 0.762 1
1 695 . 2 1 1 A 60 60 ILE CB C 60 38.693 37.940 0.753 1
1 699 . 2 1 1 A 60 60 ILE N N 60 120.600 121.313 -0.713 1
1 700 . 2 1 1 A 61 61 GLU H H 61 8.267 8.556 -0.289 1
1 701 . 2 1 1 A 61 61 GLU HA H 61 4.333 4.476 -0.143 1
1 706 . 2 1 1 A 61 61 GLU C C 61 175.576 176.171 -0.595 1
1 707 . 2 1 1 A 61 61 GLU CA C 61 55.085 56.159 -1.074 1
1 708 . 2 1 1 A 61 61 GLU CB C 61 30.717 30.027 0.690 1
1 710 . 2 1 1 A 61 61 GLU N N 61 126.935 127.673 -0.738 1
1 711 . 2 1 1 A 62 62 ILE H H 62 8.425 8.541 -0.116 1
1 712 . 2 1 1 A 62 62 ILE HA H 62 3.570 4.297 -0.727 1
1 722 . 2 1 1 A 62 62 ILE C C 62 174.594 174.644 -0.050 1
1 723 . 2 1 1 A 62 62 ILE CA C 62 61.570 60.801 0.769 1
1 724 . 2 1 1 A 62 62 ILE CB C 62 38.187 37.319 0.868 1
1 728 . 2 1 1 A 62 62 ILE N N 62 124.857 125.574 -0.717 1
1 729 . 2 1 1 A 63 63 ASP H H 63 8.459 8.308 0.151 1
1 730 . 2 1 1 A 63 63 ASP HA H 63 4.691 5.187 -0.496 1
1 733 . 2 1 1 A 63 63 ASP C C 63 177.284 175.173 2.111 1
1 734 . 2 1 1 A 63 63 ASP CA C 63 52.272 52.839 -0.567 1
1 735 . 2 1 1 A 63 63 ASP CB C 63 41.160 43.775 -2.615 1
1 736 . 2 1 1 A 63 63 ASP N N 63 126.597 128.013 -1.416 1
1 737 . 2 1 1 A 64 64 PHE H H 64 8.609 9.167 -0.558 1
1 738 . 2 1 1 A 64 64 PHE HA H 64 4.016 4.484 -0.468 1
1 746 . 2 1 1 A 64 64 PHE C C 64 177.010 176.713 0.297 1
1 747 . 2 1 1 A 64 64 PHE CA C 64 59.795 59.544 0.251 1
1 748 . 2 1 1 A 64 64 PHE CB C 64 38.084 39.504 -1.420 1
1 754 . 2 1 1 A 64 64 PHE N N 64 123.270 123.971 -0.701 1
1 755 . 2 1 1 A 65 65 GLU H H 65 8.317 8.328 -0.011 1
1 756 . 2 1 1 A 65 65 GLU HA H 65 4.171 4.269 -0.098 1
1 761 . 2 1 1 A 65 65 GLU C C 65 177.913 178.047 -0.134 1
1 762 . 2 1 1 A 65 65 GLU CA C 65 57.524 58.550 -1.026 1
1 763 . 2 1 1 A 65 65 GLU CB C 65 29.440 29.359 0.081 1
1 765 . 2 1 1 A 65 65 GLU N N 65 114.355 117.328 -2.973 1
1 766 . 2 1 1 A 66 66 THR H H 66 7.388 7.689 -0.301 1
1 767 . 2 1 1 A 66 66 THR HA H 66 4.396 4.512 -0.116 1
1 772 . 2 1 1 A 66 66 THR C C 66 174.662 174.779 -0.117 1
1 773 . 2 1 1 A 66 66 THR CA C 66 61.316 62.369 -1.053 1
1 774 . 2 1 1 A 66 66 THR CB C 66 69.711 70.173 -0.462 1
1 776 . 2 1 1 A 66 66 THR N N 66 106.424 109.034 -2.610 1
1 777 . 2 1 1 A 67 67 LEU H H 67 6.677 7.296 -0.619 1
1 778 . 2 1 1 A 67 67 LEU HA H 67 4.350 4.099 0.251 1
1 788 . 2 1 1 A 67 67 LEU C C 67 176.647 177.133 -0.486 1
1 789 . 2 1 1 A 67 67 LEU CA C 67 54.104 55.600 -1.496 1
1 790 . 2 1 1 A 67 67 LEU CB C 67 43.365 41.911 1.454 1
1 794 . 2 1 1 A 67 67 LEU N N 67 120.589 124.381 -3.792 1
1 795 . 2 1 1 A 68 68 LYS H H 68 9.947 8.700 1.247 1
1 796 . 2 1 1 A 68 68 LYS HA H 68 4.387 4.399 -0.012 1
1 805 . 2 1 1 A 68 68 LYS C C 68 176.786 176.802 -0.016 1
1 806 . 2 1 1 A 68 68 LYS CA C 68 55.574 54.804 0.770 1
1 807 . 2 1 1 A 68 68 LYS CB C 68 31.897 31.902 -0.005 1
1 811 . 2 1 1 A 68 68 LYS N N 68 123.363 122.444 0.919 1
1 812 . 2 1 1 A 69 69 PRO HA H 69 4.091 4.331 -0.240 1
1 819 . 2 1 1 A 69 69 PRO C C 69 178.646 178.123 0.523 1
1 820 . 2 1 1 A 69 69 PRO CA C 69 66.153 65.211 0.942 1
1 821 . 2 1 1 A 69 69 PRO CB C 69 31.985 31.848 0.137 1
1 824 . 2 1 1 A 70 70 SER H H 70 8.490 8.266 0.224 1
1 825 . 2 1 1 A 70 70 SER HA H 70 4.231 4.208 0.023 1
1 828 . 2 1 1 A 70 70 SER C C 70 177.784 177.416 0.368 1
1 829 . 2 1 1 A 70 70 SER CA C 70 60.787 61.303 -0.516 1
1 830 . 2 1 1 A 70 70 SER CB C 70 61.797 62.344 -0.547 1
1 831 . 2 1 1 A 70 70 SER N N 70 109.802 113.474 -3.672 1
1 832 . 2 1 1 A 71 71 THR H H 71 7.340 7.566 -0.226 1
1 833 . 2 1 1 A 71 71 THR HA H 71 3.735 3.965 -0.230 1
1 838 . 2 1 1 A 71 71 THR C C 71 176.072 176.279 -0.207 1
1 839 . 2 1 1 A 71 71 THR CA C 71 65.913 67.125 -1.212 1
1 840 . 2 1 1 A 71 71 THR CB C 71 67.239 68.845 -1.606 1
1 842 . 2 1 1 A 71 71 THR N N 71 122.295 116.611 5.684 1
1 843 . 2 1 1 A 72 72 LEU H H 72 7.839 8.242 -0.403 1
1 844 . 2 1 1 A 72 72 LEU HA H 72 3.713 3.990 -0.277 1
1 854 . 2 1 1 A 72 72 LEU C C 72 178.998 179.430 -0.432 1
1 855 . 2 1 1 A 72 72 LEU CA C 72 58.622 57.905 0.717 1
1 856 . 2 1 1 A 72 72 LEU CB C 72 40.911 41.319 -0.408 1
1 859 . 2 1 1 A 72 72 LEU N N 72 120.539 119.595 0.944 1
1 860 . 2 1 1 A 73 73 ARG H H 73 8.244 8.213 0.031 1
1 861 . 2 1 1 A 73 73 ARG HA H 73 4.100 3.983 0.117 1
1 869 . 2 1 1 A 73 73 ARG C C 73 178.935 178.069 0.866 1
1 870 . 2 1 1 A 73 73 ARG CA C 73 57.649 59.161 -1.512 1
1 871 . 2 1 1 A 73 73 ARG CB C 73 28.923 29.715 -0.792 1
1 874 . 2 1 1 A 73 73 ARG N N 73 115.473 120.654 -5.181 1
1 876 . 2 1 1 A 74 74 GLU H H 74 7.758 8.036 -0.278 1
1 877 . 2 1 1 A 74 74 GLU HA H 74 4.139 4.077 0.062 1
1 882 . 2 1 1 A 74 74 GLU C C 74 179.640 179.348 0.292 1
1 883 . 2 1 1 A 74 74 GLU CA C 74 59.519 59.375 0.144 1
1 884 . 2 1 1 A 74 74 GLU CB C 74 28.670 29.181 -0.511 1
1 886 . 2 1 1 A 74 74 GLU N N 74 122.400 118.415 3.985 1
1 887 . 2 1 1 A 75 75 LEU H H 75 8.387 7.761 0.626 1
1 888 . 2 1 1 A 75 75 LEU HA H 75 4.070 4.062 0.008 1
1 898 . 2 1 1 A 75 75 LEU C C 75 178.024 179.183 -1.159 1
1 899 . 2 1 1 A 75 75 LEU CA C 75 58.147 58.115 0.032 1
1 900 . 2 1 1 A 75 75 LEU CB C 75 42.673 41.174 1.499 1
1 904 . 2 1 1 A 75 75 LEU N N 75 119.699 120.747 -1.048 1
1 905 . 2 1 1 A 76 76 GLU H H 76 8.537 8.358 0.179 1
1 906 . 2 1 1 A 76 76 GLU HA H 76 3.751 3.925 -0.174 1
1 911 . 2 1 1 A 76 76 GLU C C 76 178.799 178.800 -0.001 1
1 912 . 2 1 1 A 76 76 GLU CA C 76 59.871 59.940 -0.069 1
1 913 . 2 1 1 A 76 76 GLU CB C 76 30.145 29.073 1.072 1
1 915 . 2 1 1 A 76 76 GLU N N 76 120.074 119.844 0.230 1
1 916 . 2 1 1 A 77 77 ARG H H 77 8.032 7.991 0.041 1
1 917 . 2 1 1 A 77 77 ARG HA H 77 3.934 4.023 -0.089 1
1 924 . 2 1 1 A 77 77 ARG C C 77 179.220 178.196 1.024 1
1 925 . 2 1 1 A 77 77 ARG CA C 77 59.974 58.834 1.140 1
1 926 . 2 1 1 A 77 77 ARG CB C 77 30.413 29.853 0.560 1
1 929 . 2 1 1 A 77 77 ARG N N 77 120.100 120.693 -0.593 1
1 930 . 2 1 1 A 78 78 TYR H H 78 8.084 7.949 0.135 1
1 931 . 2 1 1 A 78 78 TYR HA H 78 4.260 4.215 0.045 1
1 938 . 2 1 1 A 78 78 TYR C C 78 178.620 177.247 1.373 1
1 939 . 2 1 1 A 78 78 TYR CA C 78 61.507 61.249 0.258 1
1 940 . 2 1 1 A 78 78 TYR CB C 78 38.440 38.494 -0.054 1
1 945 . 2 1 1 A 78 78 TYR N N 78 120.327 120.874 -0.547 1
1 946 . 2 1 1 A 79 79 VAL H H 79 9.136 8.133 1.003 1
1 947 . 2 1 1 A 79 79 VAL HA H 79 3.161 3.698 -0.537 1
1 955 . 2 1 1 A 79 79 VAL C C 79 178.067 178.344 -0.277 1
1 956 . 2 1 1 A 79 79 VAL CA C 79 67.306 65.741 1.565 1
1 957 . 2 1 1 A 79 79 VAL CB C 79 31.505 31.234 0.271 1
1 960 . 2 1 1 A 79 79 VAL N N 79 120.576 119.011 1.565 1
1 961 . 2 1 1 A 80 80 THR H H 80 8.297 8.139 0.158 1
1 962 . 2 1 1 A 80 80 THR HA H 80 3.721 4.072 -0.351 1
1 967 . 2 1 1 A 80 80 THR C C 80 176.623 175.674 0.949 1
1 968 . 2 1 1 A 80 80 THR CA C 80 66.823 65.709 1.114 1
1 969 . 2 1 1 A 80 80 THR CB C 80 68.508 68.506 0.002 1
1 971 . 2 1 1 A 80 80 THR N N 80 115.107 117.134 -2.027 1
1 972 . 2 1 1 A 81 81 SER H H 81 7.537 7.902 -0.365 1
1 973 . 2 1 1 A 81 81 SER HA H 81 4.165 4.273 -0.108 1
1 976 . 2 1 1 A 81 81 SER C C 81 176.196 176.044 0.152 1
1 977 . 2 1 1 A 81 81 SER CA C 81 61.371 60.780 0.591 1
1 978 . 2 1 1 A 81 81 SER CB C 81 62.826 63.110 -0.284 1
1 979 . 2 1 1 A 81 81 SER N N 81 116.178 117.182 -1.004 1
1 980 . 2 1 1 A 82 82 CYS H H 82 7.523 7.472 0.051 1
1 981 . 2 1 1 A 82 82 CYS HA H 82 4.084 4.354 -0.270 1
1 984 . 2 1 1 A 82 82 CYS C C 82 176.363 175.913 0.450 1
1 985 . 2 1 1 A 82 82 CYS CA C 82 62.173 61.391 0.782 1
1 986 . 2 1 1 A 82 82 CYS CB C 82 27.872 28.015 -0.143 1
1 987 . 2 1 1 A 82 82 CYS N N 82 118.207 118.416 -0.209 1
1 988 . 2 1 1 A 83 83 LEU H H 83 7.652 7.609 0.043 1
1 989 . 2 1 1 A 83 83 LEU HA H 83 4.216 4.222 -0.006 1
1 999 . 2 1 1 A 83 83 LEU C C 83 177.349 177.138 0.211 1
1 1000 . 2 1 1 A 83 83 LEU CA C 83 55.521 57.255 -1.734 1
1 1001 . 2 1 1 A 83 83 LEU CB C 83 42.550 42.690 -0.140 1
1 1005 . 2 1 1 A 83 83 LEU N N 83 118.141 118.861 -0.720 1
1 1006 . 2 1 1 A 84 84 ARG H H 84 7.754 7.604 0.150 1
1 1007 . 2 1 1 A 84 84 ARG HA H 84 4.153 4.435 -0.282 1
1 1014 . 2 1 1 A 84 84 ARG C C 84 176.300 177.019 -0.719 1
1 1015 . 2 1 1 A 84 84 ARG CA C 84 56.829 55.692 1.137 1
1 1016 . 2 1 1 A 84 84 ARG CB C 84 29.926 31.366 -1.440 1
1 1019 . 2 1 1 A 84 84 ARG N N 84 118.881 117.533 1.348 1
1 1020 . 2 1 1 A 85 85 LYS H H 85 7.904 8.728 -0.824 1
1 1021 . 2 1 1 A 85 85 LYS HA H 85 4.178 4.208 -0.030 1
1 1030 . 2 1 1 A 85 85 LYS C C 85 176.549 176.455 0.094 1
1 1031 . 2 1 1 A 85 85 LYS CA C 85 56.514 58.556 -2.042 1
1 1032 . 2 1 1 A 85 85 LYS CB C 85 32.931 33.425 -0.494 1
1 1036 . 2 1 1 A 85 85 LYS N N 85 120.528 123.039 -2.511 1
1 1037 . 2 1 1 A 86 86 LYS H H 86 8.139 7.589 0.550 1
1 1038 . 2 1 1 A 86 86 LYS HA H 86 4.194 4.488 -0.294 1
1 1047 . 2 1 1 A 86 86 LYS C C 86 176.395 175.906 0.489 1
1 1048 . 2 1 1 A 86 86 LYS CA C 86 56.244 56.016 0.228 1
1 1049 . 2 1 1 A 86 86 LYS CB C 86 32.971 33.523 -0.552 1
1 1053 . 2 1 1 A 86 86 LYS N N 86 121.979 115.812 6.167 1
1 1054 . 2 1 1 A 87 87 ARG H H 87 8.242 8.978 -0.736 1
1 1055 . 2 1 1 A 87 87 ARG HA H 87 4.223 5.194 -0.971 1
1 1062 . 2 1 1 A 87 87 ARG C C 87 175.989 174.183 1.806 1
1 1063 . 2 1 1 A 87 87 ARG CA C 87 55.953 54.604 1.349 1
1 1064 . 2 1 1 A 87 87 ARG CB C 87 31.019 34.293 -3.274 1
1 1067 . 2 1 1 A 87 87 ARG N N 87 122.606 118.756 3.850 1
1 1068 . 2 1 1 A 88 88 LYS H H 88 8.318 8.834 -0.516 1
1 1069 . 2 1 1 A 88 88 LYS HA H 88 4.506 4.921 -0.415 1
1 1074 . 2 1 1 A 88 88 LYS C C 88 174.589 175.194 -0.605 1
1 1075 . 2 1 1 A 88 88 LYS CA C 88 54.349 53.337 1.012 1
1 1076 . 2 1 1 A 88 88 LYS CB C 88 32.576 33.792 -1.216 1
1 1077 . 2 1 1 A 88 88 LYS N N 88 124.253 121.807 2.446 1
1 1078 . 2 1 1 A 89 89 PRO HA H 89 4.327 4.719 -0.392 1
1 1085 . 2 1 1 A 89 89 PRO C C 89 176.044 175.889 0.155 1
1 1086 . 2 1 1 A 89 89 PRO CA C 89 63.489 62.372 1.117 1
1 1087 . 2 1 1 A 89 89 PRO CB C 89 31.921 33.300 -1.379 1
1 1 . 3 1 1 A 4 4 GLY C C 4 174.318 175.358 -1.040 1
1 2 . 3 1 1 A 4 4 GLY CA C 4 45.318 45.519 -0.201 1
1 3 . 3 1 1 A 5 5 SER H H 5 8.211 8.146 0.065 1
1 4 . 3 1 1 A 5 5 SER HA H 5 4.460 4.071 0.389 1
1 7 . 3 1 1 A 5 5 SER C C 5 174.891 174.368 0.523 1
1 8 . 3 1 1 A 5 5 SER CA C 5 58.299 62.054 -3.755 1
1 9 . 3 1 1 A 5 5 SER CB C 5 64.052 62.964 1.088 1
1 10 . 3 1 1 A 5 5 SER N N 5 115.510 117.704 -2.194 1
1 11 . 3 1 1 A 6 6 SER H H 6 8.444 8.128 0.316 1
1 12 . 3 1 1 A 6 6 SER HA H 6 4.428 4.138 0.290 1
1 15 . 3 1 1 A 6 6 SER C C 6 175.096 174.129 0.967 1
1 16 . 3 1 1 A 6 6 SER CA C 6 58.706 59.583 -0.877 1
1 17 . 3 1 1 A 6 6 SER CB C 6 63.920 61.404 2.516 1
1 18 . 3 1 1 A 6 6 SER N N 6 117.613 114.845 2.768 1
1 19 . 3 1 1 A 7 7 GLY H H 7 8.359 7.963 0.396 1
1 20 . 3 1 1 A 7 7 GLY HA2 H 7 3.916 4.028 -0.112 1
1 21 . 3 1 1 A 7 7 GLY HA3 H 7 3.916 4.028 -0.112 1
1 22 . 3 1 1 A 7 7 GLY C C 7 174.309 173.602 0.707 1
1 23 . 3 1 1 A 7 7 GLY CA C 7 45.399 44.764 0.635 1
1 24 . 3 1 1 A 7 7 GLY N N 7 110.468 106.896 3.572 1
1 25 . 3 1 1 A 8 8 GLU H H 8 8.235 8.920 -0.685 1
1 26 . 3 1 1 A 8 8 GLU HA H 8 4.248 4.075 0.173 1
1 31 . 3 1 1 A 8 8 GLU C C 8 176.732 176.151 0.581 1
1 32 . 3 1 1 A 8 8 GLU CA C 8 56.630 57.746 -1.116 1
1 33 . 3 1 1 A 8 8 GLU CB C 8 30.243 27.525 2.718 1
1 35 . 3 1 1 A 8 8 GLU N N 8 120.254 120.931 -0.677 1
1 36 . 3 1 1 A 9 9 SER H H 9 8.327 8.054 0.273 1
1 37 . 3 1 1 A 9 9 SER HA H 9 4.385 4.529 -0.144 1
1 40 . 3 1 1 A 9 9 SER C C 9 174.682 175.396 -0.714 1
1 41 . 3 1 1 A 9 9 SER CA C 9 58.470 59.875 -1.405 1
1 42 . 3 1 1 A 9 9 SER CB C 9 63.742 62.873 0.869 1
1 43 . 3 1 1 A 9 9 SER N N 9 116.213 114.145 2.068 1
1 44 . 3 1 1 A 10 10 GLU H H 10 8.428 8.225 0.203 1
1 45 . 3 1 1 A 10 10 GLU HA H 10 4.232 4.277 -0.045 1
1 50 . 3 1 1 A 10 10 GLU C C 10 176.769 177.551 -0.782 1
1 51 . 3 1 1 A 10 10 GLU CA C 10 56.887 58.535 -1.648 1
1 52 . 3 1 1 A 10 10 GLU CB C 10 30.267 29.245 1.022 1
1 54 . 3 1 1 A 10 10 GLU N N 10 122.618 121.036 1.582 1
1 55 . 3 1 1 A 11 11 GLU H H 11 8.315 7.933 0.382 1
1 56 . 3 1 1 A 11 11 GLU HA H 11 4.179 4.232 -0.053 1
1 61 . 3 1 1 A 11 11 GLU C C 11 177.182 178.761 -1.579 1
1 62 . 3 1 1 A 11 11 GLU CA C 11 56.896 58.541 -1.645 1
1 63 . 3 1 1 A 11 11 GLU CB C 11 30.317 29.797 0.520 1
1 65 . 3 1 1 A 11 11 GLU N N 11 120.909 120.114 0.795 1
1 66 . 3 1 1 A 12 12 GLU H H 12 8.333 8.202 0.131 1
1 67 . 3 1 1 A 12 12 GLU HA H 12 4.100 4.066 0.034 1
1 72 . 3 1 1 A 12 12 GLU C C 12 176.860 177.505 -0.645 1
1 73 . 3 1 1 A 12 12 GLU CA C 12 57.495 59.352 -1.857 1
1 74 . 3 1 1 A 12 12 GLU CB C 12 30.221 29.229 0.992 1
1 76 . 3 1 1 A 12 12 GLU N N 12 121.578 119.858 1.720 1
1 77 . 3 1 1 A 13 13 ASP H H 13 8.332 7.477 0.855 1
1 78 . 3 1 1 A 13 13 ASP HA H 13 4.468 4.709 -0.241 1
1 81 . 3 1 1 A 13 13 ASP C C 13 176.833 174.328 2.505 1
1 82 . 3 1 1 A 13 13 ASP CA C 13 54.921 53.027 1.894 1
1 83 . 3 1 1 A 13 13 ASP CB C 13 40.912 39.482 1.430 1
1 84 . 3 1 1 A 13 13 ASP N N 13 120.147 119.189 0.958 1
1 85 . 3 1 1 A 14 14 LYS H H 14 8.014 8.148 -0.134 1
1 86 . 3 1 1 A 14 14 LYS HA H 14 4.204 5.028 -0.824 1
1 95 . 3 1 1 A 14 14 LYS C C 14 176.568 175.105 1.463 1
1 96 . 3 1 1 A 14 14 LYS CA C 14 56.558 54.733 1.825 1
1 97 . 3 1 1 A 14 14 LYS CB C 14 32.598 36.585 -3.987 1
1 101 . 3 1 1 A 14 14 LYS N N 14 120.485 123.603 -3.118 1
1 102 . 3 1 1 A 15 15 CYS H H 15 8.013 8.687 -0.674 1
1 103 . 3 1 1 A 15 15 CYS HA H 15 4.304 4.954 -0.650 1
1 106 . 3 1 1 A 15 15 CYS C C 15 173.801 172.882 0.919 1
1 107 . 3 1 1 A 15 15 CYS CA C 15 58.337 57.946 0.391 1
1 108 . 3 1 1 A 15 15 CYS CB C 15 28.061 32.272 -4.211 1
1 109 . 3 1 1 A 15 15 CYS N N 15 118.099 119.348 -1.249 1
1 110 . 3 1 1 A 16 16 LYS H H 16 8.287 8.475 -0.188 1
1 111 . 3 1 1 A 16 16 LYS HA H 16 4.491 4.846 -0.355 1
1 120 . 3 1 1 A 16 16 LYS C C 16 175.117 173.742 1.375 1
1 121 . 3 1 1 A 16 16 LYS CA C 16 54.512 52.961 1.551 1
1 122 . 3 1 1 A 16 16 LYS CB C 16 32.697 34.861 -2.164 1
1 124 . 3 1 1 A 16 16 LYS N N 16 125.369 120.229 5.140 1
1 125 . 3 1 1 A 17 17 PRO HA H 17 4.247 4.662 -0.415 1
1 132 . 3 1 1 A 17 17 PRO C C 17 176.956 175.419 1.537 1
1 133 . 3 1 1 A 17 17 PRO CA C 17 63.088 62.726 0.362 1
1 134 . 3 1 1 A 17 17 PRO CB C 17 32.244 32.560 -0.316 1
1 137 . 3 1 1 A 18 18 MET H H 18 8.516 8.523 -0.007 1
1 138 . 3 1 1 A 18 18 MET HA H 18 4.488 5.074 -0.586 1
1 146 . 3 1 1 A 18 18 MET C C 18 176.759 175.671 1.088 1
1 147 . 3 1 1 A 18 18 MET CA C 18 56.169 54.680 1.489 1
1 148 . 3 1 1 A 18 18 MET CB C 18 35.531 35.221 0.310 1
1 151 . 3 1 1 A 18 18 MET N N 18 121.801 120.149 1.652 1
1 152 . 3 1 1 A 19 19 SER H H 19 9.100 8.963 0.137 1
1 153 . 3 1 1 A 19 19 SER HA H 19 4.459 4.649 -0.190 1
1 156 . 3 1 1 A 19 19 SER C C 19 175.018 175.579 -0.561 1
1 157 . 3 1 1 A 19 19 SER CA C 19 56.894 57.661 -0.767 1
1 158 . 3 1 1 A 19 19 SER CB C 19 65.854 64.640 1.214 1
1 159 . 3 1 1 A 19 19 SER N N 19 119.212 119.606 -0.394 1
1 160 . 3 1 1 A 20 20 TYR H H 20 8.959 9.301 -0.342 1
1 161 . 3 1 1 A 20 20 TYR HA H 20 4.029 4.114 -0.085 1
1 168 . 3 1 1 A 20 20 TYR C C 20 177.960 177.278 0.682 1
1 169 . 3 1 1 A 20 20 TYR CA C 20 62.463 62.634 -0.171 1
1 170 . 3 1 1 A 20 20 TYR CB C 20 38.009 38.867 -0.858 1
1 175 . 3 1 1 A 20 20 TYR N N 20 121.218 124.260 -3.042 1
1 176 . 3 1 1 A 21 21 GLU H H 21 8.825 8.321 0.504 1
1 177 . 3 1 1 A 21 21 GLU HA H 21 3.811 3.674 0.137 1
1 182 . 3 1 1 A 21 21 GLU C C 21 179.481 179.411 0.070 1
1 183 . 3 1 1 A 21 21 GLU CA C 21 59.951 60.099 -0.148 1
1 184 . 3 1 1 A 21 21 GLU CB C 21 28.823 29.108 -0.285 1
1 186 . 3 1 1 A 21 21 GLU N N 21 118.696 117.976 0.720 1
1 187 . 3 1 1 A 22 22 GLU H H 22 7.771 8.057 -0.286 1
1 188 . 3 1 1 A 22 22 GLU HA H 22 3.899 4.073 -0.174 1
1 193 . 3 1 1 A 22 22 GLU C C 22 179.680 179.287 0.393 1
1 194 . 3 1 1 A 22 22 GLU CA C 22 59.498 59.102 0.396 1
1 195 . 3 1 1 A 22 22 GLU CB C 22 30.385 29.664 0.721 1
1 197 . 3 1 1 A 22 22 GLU N N 22 120.141 121.141 -1.000 1
1 198 . 3 1 1 A 23 23 LYS H H 23 8.101 7.761 0.340 1
1 199 . 3 1 1 A 23 23 LYS HA H 23 3.662 3.841 -0.179 1
1 208 . 3 1 1 A 23 23 LYS C C 23 178.250 178.979 -0.729 1
1 209 . 3 1 1 A 23 23 LYS CA C 23 60.345 59.694 0.651 1
1 210 . 3 1 1 A 23 23 LYS CB C 23 32.611 31.972 0.639 1
1 214 . 3 1 1 A 23 23 LYS N N 23 120.594 119.285 1.309 1
1 215 . 3 1 1 A 24 24 ARG H H 24 8.030 7.781 0.249 1
1 216 . 3 1 1 A 24 24 ARG HA H 24 3.721 3.597 0.124 1
1 223 . 3 1 1 A 24 24 ARG C C 24 178.992 178.284 0.708 1
1 224 . 3 1 1 A 24 24 ARG CA C 24 59.055 59.389 -0.334 1
1 225 . 3 1 1 A 24 24 ARG CB C 24 29.623 29.706 -0.083 1
1 228 . 3 1 1 A 24 24 ARG N N 24 120.100 118.746 1.354 1
1 229 . 3 1 1 A 25 25 GLN H H 25 7.940 7.920 0.020 1
1 230 . 3 1 1 A 25 25 GLN HA H 25 3.706 3.943 -0.237 1
1 237 . 3 1 1 A 25 25 GLN C C 25 177.078 177.923 -0.845 1
1 238 . 3 1 1 A 25 25 GLN CA C 25 58.104 58.588 -0.484 1
1 239 . 3 1 1 A 25 25 GLN CB C 25 28.294 28.276 0.018 1
1 241 . 3 1 1 A 25 25 GLN N N 25 118.586 119.256 -0.670 1
1 243 . 3 1 1 A 26 26 LEU H H 26 7.843 7.984 -0.141 1
1 244 . 3 1 1 A 26 26 LEU HA H 26 4.182 4.058 0.124 1
1 254 . 3 1 1 A 26 26 LEU C C 26 178.116 178.593 -0.477 1
1 255 . 3 1 1 A 26 26 LEU CA C 26 57.867 57.981 -0.114 1
1 256 . 3 1 1 A 26 26 LEU CB C 26 41.167 41.233 -0.066 1
1 259 . 3 1 1 A 26 26 LEU N N 26 119.570 121.196 -1.626 1
1 260 . 3 1 1 A 27 27 SER H H 27 7.710 7.484 0.226 1
1 261 . 3 1 1 A 27 27 SER HA H 27 3.869 4.226 -0.357 1
1 264 . 3 1 1 A 27 27 SER C C 27 176.845 177.561 -0.716 1
1 265 . 3 1 1 A 27 27 SER CA C 27 61.478 61.397 0.081 1
1 266 . 3 1 1 A 27 27 SER CB C 27 62.828 62.765 0.063 1
1 267 . 3 1 1 A 27 27 SER N N 27 112.126 114.751 -2.625 1
1 268 . 3 1 1 A 28 28 LEU H H 28 7.613 8.116 -0.503 1
1 269 . 3 1 1 A 28 28 LEU HA H 28 3.954 3.968 -0.014 1
1 279 . 3 1 1 A 28 28 LEU C C 28 180.044 178.730 1.314 1
1 280 . 3 1 1 A 28 28 LEU CA C 28 57.862 57.893 -0.031 1
1 281 . 3 1 1 A 28 28 LEU CB C 28 41.703 41.367 0.336 1
1 285 . 3 1 1 A 28 28 LEU N N 28 120.774 121.684 -0.910 1
1 286 . 3 1 1 A 29 29 ASP H H 29 8.476 8.001 0.475 1
1 287 . 3 1 1 A 29 29 ASP HA H 29 4.236 4.437 -0.201 1
1 290 . 3 1 1 A 29 29 ASP C C 29 179.532 179.089 0.443 1
1 291 . 3 1 1 A 29 29 ASP CA C 29 57.618 57.389 0.229 1
1 292 . 3 1 1 A 29 29 ASP CB C 29 40.447 40.309 0.138 1
1 293 . 3 1 1 A 29 29 ASP N N 29 120.971 119.389 1.582 1
1 294 . 3 1 1 A 30 30 ILE H H 30 8.558 8.151 0.407 1
1 295 . 3 1 1 A 30 30 ILE HA H 30 3.564 3.760 -0.196 1
1 305 . 3 1 1 A 30 30 ILE C C 30 178.098 178.430 -0.332 1
1 306 . 3 1 1 A 30 30 ILE CA C 30 65.616 64.844 0.772 1
1 307 . 3 1 1 A 30 30 ILE CB C 30 37.697 37.420 0.277 1
1 311 . 3 1 1 A 30 30 ILE N N 30 120.240 121.341 -1.101 1
1 312 . 3 1 1 A 31 31 ASN H H 31 7.350 8.231 -0.881 1
1 313 . 3 1 1 A 31 31 ASN HA H 31 4.560 4.452 0.108 1
1 318 . 3 1 1 A 31 31 ASN C C 31 175.952 177.628 -1.676 1
1 319 . 3 1 1 A 31 31 ASN CA C 31 54.997 56.667 -1.670 1
1 320 . 3 1 1 A 31 31 ASN CB C 31 38.769 38.079 0.690 1
1 321 . 3 1 1 A 31 31 ASN N N 31 115.285 119.459 -4.174 1
1 323 . 3 1 1 A 32 32 LYS H H 32 7.509 7.593 -0.084 1
1 324 . 3 1 1 A 32 32 LYS HA H 32 4.286 4.365 -0.079 1
1 333 . 3 1 1 A 32 32 LYS C C 32 177.232 177.218 0.014 1
1 334 . 3 1 1 A 32 32 LYS CA C 32 56.330 57.529 -1.199 1
1 335 . 3 1 1 A 32 32 LYS CB C 32 33.570 32.808 0.762 1
1 339 . 3 1 1 A 32 32 LYS N N 32 117.496 117.114 0.382 1
1 340 . 3 1 1 A 33 33 LEU H H 33 7.455 7.273 0.182 1
1 341 . 3 1 1 A 33 33 LEU HA H 33 4.265 4.402 -0.137 1
1 351 . 3 1 1 A 33 33 LEU CA C 33 53.436 53.441 -0.005 1
1 352 . 3 1 1 A 33 33 LEU CB C 33 41.464 41.566 -0.102 1
1 356 . 3 1 1 A 33 33 LEU N N 33 120.501 121.227 -0.726 1
1 357 . 3 1 1 A 34 34 PRO HA H 34 4.561 4.598 -0.037 1
1 364 . 3 1 1 A 34 34 PRO C C 34 178.359 177.986 0.373 1
1 365 . 3 1 1 A 34 34 PRO CA C 34 62.251 62.455 -0.204 1
1 366 . 3 1 1 A 34 34 PRO CB C 34 32.489 32.605 -0.116 1
1 369 . 3 1 1 A 35 35 GLY H H 35 8.865 8.711 0.154 1
1 370 . 3 1 1 A 35 35 GLY HA2 H 35 3.709 3.810 -0.101 1
1 371 . 3 1 1 A 35 35 GLY HA3 H 35 4.005 3.812 0.193 1
1 372 . 3 1 1 A 35 35 GLY C C 35 176.845 176.008 0.837 1
1 373 . 3 1 1 A 35 35 GLY CA C 35 48.165 47.425 0.740 1
1 374 . 3 1 1 A 35 35 GLY N N 35 109.986 110.525 -0.539 1
1 375 . 3 1 1 A 36 36 GLU H H 36 9.360 8.974 0.386 1
1 376 . 3 1 1 A 36 36 GLU HA H 36 4.233 4.097 0.136 1
1 381 . 3 1 1 A 36 36 GLU C C 36 178.326 177.828 0.498 1
1 382 . 3 1 1 A 36 36 GLU CA C 36 58.964 58.708 0.256 1
1 383 . 3 1 1 A 36 36 GLU CB C 36 28.689 28.513 0.176 1
1 385 . 3 1 1 A 36 36 GLU N N 36 119.485 121.175 -1.690 1
1 386 . 3 1 1 A 37 37 LYS H H 37 7.734 7.703 0.031 1
1 387 . 3 1 1 A 37 37 LYS HA H 37 4.516 4.480 0.036 1
1 396 . 3 1 1 A 37 37 LYS C C 37 178.698 178.092 0.606 1
1 397 . 3 1 1 A 37 37 LYS CA C 37 55.977 56.651 -0.674 1
1 398 . 3 1 1 A 37 37 LYS CB C 37 32.981 33.370 -0.389 1
1 402 . 3 1 1 A 37 37 LYS N N 37 116.668 119.115 -2.447 1
1 403 . 3 1 1 A 38 38 LEU H H 38 7.882 7.894 -0.012 1
1 404 . 3 1 1 A 38 38 LEU HA H 38 4.103 3.953 0.150 1
1 414 . 3 1 1 A 38 38 LEU C C 38 179.042 178.549 0.493 1
1 415 . 3 1 1 A 38 38 LEU CA C 38 57.832 57.989 -0.157 1
1 416 . 3 1 1 A 38 38 LEU CB C 38 41.753 41.880 -0.127 1
1 420 . 3 1 1 A 38 38 LEU N N 38 121.898 122.097 -0.199 1
1 421 . 3 1 1 A 39 39 GLY H H 39 8.212 8.203 0.009 1
1 422 . 3 1 1 A 39 39 GLY HA2 H 39 3.720 3.834 -0.114 1
1 423 . 3 1 1 A 39 39 GLY HA3 H 39 3.853 3.866 -0.013 1
1 424 . 3 1 1 A 39 39 GLY C C 39 176.507 175.079 1.428 1
1 425 . 3 1 1 A 39 39 GLY CA C 39 47.218 46.580 0.638 1
1 426 . 3 1 1 A 39 39 GLY N N 39 106.042 106.216 -0.174 1
1 427 . 3 1 1 A 40 40 ARG H H 40 7.416 7.882 -0.466 1
1 428 . 3 1 1 A 40 40 ARG HA H 40 4.031 4.229 -0.198 1
1 435 . 3 1 1 A 40 40 ARG C C 40 177.974 178.751 -0.777 1
1 436 . 3 1 1 A 40 40 ARG CA C 40 57.460 58.218 -0.758 1
1 437 . 3 1 1 A 40 40 ARG CB C 40 29.051 29.606 -0.555 1
1 440 . 3 1 1 A 40 40 ARG N N 40 120.046 121.001 -0.955 1
1 441 . 3 1 1 A 41 41 VAL H H 41 7.417 7.951 -0.534 1
1 442 . 3 1 1 A 41 41 VAL HA H 41 3.285 3.486 -0.201 1
1 450 . 3 1 1 A 41 41 VAL C C 41 177.090 177.885 -0.795 1
1 451 . 3 1 1 A 41 41 VAL CA C 41 66.979 66.334 0.645 1
1 452 . 3 1 1 A 41 41 VAL CB C 41 31.059 31.616 -0.557 1
1 455 . 3 1 1 A 41 41 VAL N N 41 119.285 119.745 -0.460 1
1 456 . 3 1 1 A 42 42 VAL H H 42 7.493 8.128 -0.635 1
1 457 . 3 1 1 A 42 42 VAL HA H 42 3.395 3.605 -0.210 1
1 465 . 3 1 1 A 42 42 VAL C C 42 177.200 177.798 -0.598 1
1 466 . 3 1 1 A 42 42 VAL CA C 42 66.764 65.278 1.486 1
1 467 . 3 1 1 A 42 42 VAL CB C 42 31.296 30.944 0.352 1
1 470 . 3 1 1 A 42 42 VAL N N 42 116.606 120.390 -3.784 1
1 471 . 3 1 1 A 43 43 HIS H H 43 7.602 7.725 -0.123 1
1 472 . 3 1 1 A 43 43 HIS HA H 43 4.264 4.347 -0.083 1
1 477 . 3 1 1 A 43 43 HIS C C 43 178.854 177.828 1.026 1
1 478 . 3 1 1 A 43 43 HIS CA C 43 59.824 59.729 0.095 1
1 479 . 3 1 1 A 43 43 HIS CB C 43 30.605 29.791 0.814 1
1 482 . 3 1 1 A 43 43 HIS N N 43 118.867 119.731 -0.864 1
1 483 . 3 1 1 A 44 44 ILE H H 44 8.344 8.029 0.315 1
1 484 . 3 1 1 A 44 44 ILE HA H 44 3.375 3.623 -0.248 1
1 494 . 3 1 1 A 44 44 ILE C C 44 178.054 178.252 -0.198 1
1 495 . 3 1 1 A 44 44 ILE CA C 44 65.922 64.379 1.543 1
1 496 . 3 1 1 A 44 44 ILE CB C 44 37.950 37.527 0.423 1
1 500 . 3 1 1 A 44 44 ILE N N 44 121.530 119.855 1.675 1
1 501 . 3 1 1 A 45 45 ILE H H 45 7.604 7.653 -0.049 1
1 502 . 3 1 1 A 45 45 ILE HA H 45 3.311 3.499 -0.188 1
1 512 . 3 1 1 A 45 45 ILE C C 45 177.378 178.038 -0.660 1
1 513 . 3 1 1 A 45 45 ILE CA C 45 66.577 64.961 1.616 1
1 514 . 3 1 1 A 45 45 ILE CB C 45 38.168 37.272 0.896 1
1 518 . 3 1 1 A 45 45 ILE N N 45 117.572 120.936 -3.364 1
1 519 . 3 1 1 A 46 46 GLN H H 46 8.626 8.448 0.178 1
1 520 . 3 1 1 A 46 46 GLN HA H 46 3.719 4.026 -0.307 1
1 527 . 3 1 1 A 46 46 GLN C C 46 177.483 178.487 -1.004 1
1 528 . 3 1 1 A 46 46 GLN CA C 46 59.443 58.803 0.640 1
1 529 . 3 1 1 A 46 46 GLN CB C 46 28.832 28.390 0.442 1
1 531 . 3 1 1 A 46 46 GLN N N 46 115.916 118.623 -2.707 1
1 533 . 3 1 1 A 47 47 SER H H 47 7.862 7.700 0.162 1
1 534 . 3 1 1 A 47 47 SER HA H 47 4.064 4.205 -0.141 1
1 537 . 3 1 1 A 47 47 SER C C 47 175.615 175.801 -0.186 1
1 538 . 3 1 1 A 47 47 SER CA C 47 60.602 61.064 -0.462 1
1 539 . 3 1 1 A 47 47 SER CB C 47 63.313 63.215 0.098 1
1 540 . 3 1 1 A 47 47 SER N N 47 110.902 115.732 -4.830 1
1 541 . 3 1 1 A 48 48 ARG H H 48 7.362 7.934 -0.572 1
1 542 . 3 1 1 A 48 48 ARG HA H 48 4.306 4.354 -0.048 1
1 549 . 3 1 1 A 48 48 ARG C C 48 176.365 176.082 0.283 1
1 550 . 3 1 1 A 48 48 ARG CA C 48 55.992 56.934 -0.942 1
1 551 . 3 1 1 A 48 48 ARG CB C 48 33.000 31.290 1.710 1
1 554 . 3 1 1 A 48 48 ARG N N 48 118.403 118.427 -0.024 1
1 555 . 3 1 1 A 49 49 GLU H H 49 7.714 7.700 0.014 1
1 556 . 3 1 1 A 49 49 GLU HA H 49 4.806 4.797 0.009 1
1 561 . 3 1 1 A 49 49 GLU C C 49 174.213 174.640 -0.427 1
1 562 . 3 1 1 A 49 49 GLU CA C 49 52.903 54.117 -1.214 1
1 563 . 3 1 1 A 49 49 GLU CB C 49 28.835 30.188 -1.353 1
1 565 . 3 1 1 A 49 49 GLU N N 49 118.387 118.736 -0.349 1
1 566 . 3 1 1 A 50 50 PRO HA H 50 4.273 4.304 -0.031 1
1 573 . 3 1 1 A 50 50 PRO C C 50 178.412 177.617 0.795 1
1 574 . 3 1 1 A 50 50 PRO CA C 50 64.641 64.871 -0.230 1
1 575 . 3 1 1 A 50 50 PRO CB C 50 32.045 32.040 0.005 1
1 578 . 3 1 1 A 51 51 SER H H 51 8.290 8.321 -0.031 1
1 579 . 3 1 1 A 51 51 SER HA H 51 4.271 4.373 -0.102 1
1 582 . 3 1 1 A 51 51 SER C C 51 175.130 175.112 0.018 1
1 583 . 3 1 1 A 51 51 SER CA C 51 59.824 59.995 -0.171 1
1 584 . 3 1 1 A 51 51 SER CB C 51 63.071 63.075 -0.004 1
1 585 . 3 1 1 A 51 51 SER N N 51 112.214 112.658 -0.444 1
1 586 . 3 1 1 A 52 52 LEU H H 52 7.882 7.725 0.157 1
1 587 . 3 1 1 A 52 52 LEU HA H 52 4.479 4.406 0.073 1
1 597 . 3 1 1 A 52 52 LEU C C 52 177.843 177.897 -0.054 1
1 598 . 3 1 1 A 52 52 LEU CA C 52 54.734 54.820 -0.086 1
1 599 . 3 1 1 A 52 52 LEU CB C 52 42.500 42.367 0.133 1
1 603 . 3 1 1 A 52 52 LEU N N 52 121.800 118.507 3.293 1
1 604 . 3 1 1 A 53 53 LYS H H 53 7.638 7.482 0.156 1
1 605 . 3 1 1 A 53 53 LYS HA H 53 4.022 4.053 -0.031 1
1 614 . 3 1 1 A 53 53 LYS C C 53 176.270 177.967 -1.697 1
1 615 . 3 1 1 A 53 53 LYS CA C 53 58.288 59.211 -0.923 1
1 616 . 3 1 1 A 53 53 LYS CB C 53 32.924 32.034 0.890 1
1 620 . 3 1 1 A 53 53 LYS N N 53 121.559 120.990 0.569 1
1 621 . 3 1 1 A 54 54 ASN H H 54 8.266 7.528 0.738 1
1 622 . 3 1 1 A 54 54 ASN HA H 54 4.732 4.849 -0.117 1
1 627 . 3 1 1 A 54 54 ASN C C 54 175.097 174.926 0.171 1
1 628 . 3 1 1 A 54 54 ASN CA C 54 53.020 53.274 -0.254 1
1 629 . 3 1 1 A 54 54 ASN CB C 54 38.863 39.183 -0.320 1
1 630 . 3 1 1 A 54 54 ASN N N 54 116.053 115.360 0.693 1
1 632 . 3 1 1 A 55 55 SER H H 55 7.692 7.431 0.261 1
1 633 . 3 1 1 A 55 55 SER HA H 55 4.288 4.784 -0.496 1
1 636 . 3 1 1 A 55 55 SER C C 55 173.418 174.147 -0.729 1
1 637 . 3 1 1 A 55 55 SER CA C 55 58.900 57.770 1.130 1
1 638 . 3 1 1 A 55 55 SER CB C 55 63.914 65.153 -1.239 1
1 639 . 3 1 1 A 55 55 SER N N 55 115.901 117.249 -1.348 1
1 640 . 3 1 1 A 56 56 ASN H H 56 8.574 8.760 -0.186 1
1 641 . 3 1 1 A 56 56 ASN HA H 56 4.857 4.796 0.061 1
1 646 . 3 1 1 A 56 56 ASN C C 56 174.843 175.589 -0.746 1
1 647 . 3 1 1 A 56 56 ASN CA C 56 50.974 51.799 -0.825 1
1 648 . 3 1 1 A 56 56 ASN CB C 56 38.744 37.987 0.757 1
1 649 . 3 1 1 A 56 56 ASN N N 56 122.245 122.348 -0.103 1
1 651 . 3 1 1 A 57 57 PRO HA H 57 4.079 4.244 -0.165 1
1 658 . 3 1 1 A 57 57 PRO C C 57 176.856 178.155 -1.299 1
1 659 . 3 1 1 A 57 57 PRO CA C 57 64.733 65.458 -0.725 1
1 660 . 3 1 1 A 57 57 PRO CB C 57 31.968 31.696 0.272 1
1 663 . 3 1 1 A 58 58 ASP H H 58 8.024 8.557 -0.533 1
1 664 . 3 1 1 A 58 58 ASP HA H 58 4.445 4.454 -0.009 1
1 667 . 3 1 1 A 58 58 ASP C C 58 176.369 177.198 -0.829 1
1 668 . 3 1 1 A 58 58 ASP CA C 58 55.247 56.035 -0.788 1
1 669 . 3 1 1 A 58 58 ASP CB C 58 40.828 40.247 0.581 1
1 670 . 3 1 1 A 58 58 ASP N N 58 114.883 117.098 -2.215 1
1 671 . 3 1 1 A 59 59 GLU H H 59 7.663 7.432 0.231 1
1 672 . 3 1 1 A 59 59 GLU HA H 59 4.341 4.343 -0.002 1
1 677 . 3 1 1 A 59 59 GLU C C 59 175.690 175.413 0.277 1
1 678 . 3 1 1 A 59 59 GLU CA C 59 55.425 56.270 -0.845 1
1 679 . 3 1 1 A 59 59 GLU CB C 59 31.140 30.070 1.070 1
1 681 . 3 1 1 A 59 59 GLU N N 59 117.763 117.567 0.196 1
1 682 . 3 1 1 A 60 60 ILE H H 60 7.457 7.496 -0.039 1
1 683 . 3 1 1 A 60 60 ILE HA H 60 3.962 4.212 -0.250 1
1 693 . 3 1 1 A 60 60 ILE C C 60 174.951 174.593 0.358 1
1 694 . 3 1 1 A 60 60 ILE CA C 60 61.416 60.771 0.645 1
1 695 . 3 1 1 A 60 60 ILE CB C 60 38.693 37.904 0.789 1
1 699 . 3 1 1 A 60 60 ILE N N 60 120.600 121.236 -0.636 1
1 700 . 3 1 1 A 61 61 GLU H H 61 8.267 8.822 -0.555 1
1 701 . 3 1 1 A 61 61 GLU HA H 61 4.333 4.595 -0.262 1
1 706 . 3 1 1 A 61 61 GLU C C 61 175.576 176.080 -0.504 1
1 707 . 3 1 1 A 61 61 GLU CA C 61 55.085 56.008 -0.923 1
1 708 . 3 1 1 A 61 61 GLU CB C 61 30.717 30.786 -0.069 1
1 710 . 3 1 1 A 61 61 GLU N N 61 126.935 127.215 -0.280 1
1 711 . 3 1 1 A 62 62 ILE H H 62 8.425 8.473 -0.048 1
1 712 . 3 1 1 A 62 62 ILE HA H 62 3.570 4.503 -0.933 1
1 722 . 3 1 1 A 62 62 ILE C C 62 174.594 174.949 -0.355 1
1 723 . 3 1 1 A 62 62 ILE CA C 62 61.570 59.752 1.818 1
1 724 . 3 1 1 A 62 62 ILE CB C 62 38.187 38.592 -0.405 1
1 728 . 3 1 1 A 62 62 ILE N N 62 124.857 124.179 0.678 1
1 729 . 3 1 1 A 63 63 ASP H H 63 8.459 8.276 0.183 1
1 730 . 3 1 1 A 63 63 ASP HA H 63 4.691 5.003 -0.312 1
1 733 . 3 1 1 A 63 63 ASP C C 63 177.284 175.658 1.626 1
1 734 . 3 1 1 A 63 63 ASP CA C 63 52.272 53.762 -1.490 1
1 735 . 3 1 1 A 63 63 ASP CB C 63 41.160 43.360 -2.200 1
1 736 . 3 1 1 A 63 63 ASP N N 63 126.597 125.119 1.478 1
1 737 . 3 1 1 A 64 64 PHE H H 64 8.609 9.313 -0.704 1
1 738 . 3 1 1 A 64 64 PHE HA H 64 4.016 4.401 -0.385 1
1 746 . 3 1 1 A 64 64 PHE C C 64 177.010 176.016 0.994 1
1 747 . 3 1 1 A 64 64 PHE CA C 64 59.795 59.687 0.108 1
1 748 . 3 1 1 A 64 64 PHE CB C 64 38.084 38.291 -0.207 1
1 754 . 3 1 1 A 64 64 PHE N N 64 123.270 124.022 -0.752 1
1 755 . 3 1 1 A 65 65 GLU H H 65 8.317 8.367 -0.050 1
1 756 . 3 1 1 A 65 65 GLU HA H 65 4.171 4.366 -0.195 1
1 761 . 3 1 1 A 65 65 GLU C C 65 177.913 176.967 0.946 1
1 762 . 3 1 1 A 65 65 GLU CA C 65 57.524 57.590 -0.066 1
1 763 . 3 1 1 A 65 65 GLU CB C 65 29.440 30.108 -0.668 1
1 765 . 3 1 1 A 65 65 GLU N N 65 114.355 116.534 -2.179 1
1 766 . 3 1 1 A 66 66 THR H H 66 7.388 8.000 -0.612 1
1 767 . 3 1 1 A 66 66 THR HA H 66 4.396 4.627 -0.231 1
1 772 . 3 1 1 A 66 66 THR C C 66 174.662 174.396 0.266 1
1 773 . 3 1 1 A 66 66 THR CA C 66 61.316 62.100 -0.784 1
1 774 . 3 1 1 A 66 66 THR CB C 66 69.711 71.252 -1.541 1
1 776 . 3 1 1 A 66 66 THR N N 66 106.424 113.542 -7.118 1
1 777 . 3 1 1 A 67 67 LEU H H 67 6.677 6.830 -0.153 1
1 778 . 3 1 1 A 67 67 LEU HA H 67 4.350 4.202 0.148 1
1 788 . 3 1 1 A 67 67 LEU C C 67 176.647 177.227 -0.580 1
1 789 . 3 1 1 A 67 67 LEU CA C 67 54.104 54.750 -0.646 1
1 790 . 3 1 1 A 67 67 LEU CB C 67 43.365 42.449 0.916 1
1 794 . 3 1 1 A 67 67 LEU N N 67 120.589 124.115 -3.526 1
1 795 . 3 1 1 A 68 68 LYS H H 68 9.947 8.694 1.253 1
1 796 . 3 1 1 A 68 68 LYS HA H 68 4.387 4.355 0.032 1
1 805 . 3 1 1 A 68 68 LYS C C 68 176.786 176.844 -0.058 1
1 806 . 3 1 1 A 68 68 LYS CA C 68 55.574 54.795 0.779 1
1 807 . 3 1 1 A 68 68 LYS CB C 68 31.897 31.773 0.124 1
1 811 . 3 1 1 A 68 68 LYS N N 68 123.363 121.938 1.425 1
1 812 . 3 1 1 A 69 69 PRO HA H 69 4.091 4.390 -0.299 1
1 819 . 3 1 1 A 69 69 PRO C C 69 178.646 178.179 0.467 1
1 820 . 3 1 1 A 69 69 PRO CA C 69 66.153 65.193 0.960 1
1 821 . 3 1 1 A 69 69 PRO CB C 69 31.985 31.927 0.058 1
1 824 . 3 1 1 A 70 70 SER H H 70 8.490 8.428 0.062 1
1 825 . 3 1 1 A 70 70 SER HA H 70 4.231 4.286 -0.055 1
1 828 . 3 1 1 A 70 70 SER C C 70 177.784 176.848 0.936 1
1 829 . 3 1 1 A 70 70 SER CA C 70 60.787 61.159 -0.372 1
1 830 . 3 1 1 A 70 70 SER CB C 70 61.797 62.924 -1.127 1
1 831 . 3 1 1 A 70 70 SER N N 70 109.802 114.210 -4.408 1
1 832 . 3 1 1 A 71 71 THR H H 71 7.340 7.953 -0.613 1
1 833 . 3 1 1 A 71 71 THR HA H 71 3.735 3.921 -0.186 1
1 838 . 3 1 1 A 71 71 THR C C 71 176.072 176.325 -0.253 1
1 839 . 3 1 1 A 71 71 THR CA C 71 65.913 66.939 -1.026 1
1 840 . 3 1 1 A 71 71 THR CB C 71 67.239 68.009 -0.770 1
1 842 . 3 1 1 A 71 71 THR N N 71 122.295 118.545 3.750 1
1 843 . 3 1 1 A 72 72 LEU H H 72 7.839 8.079 -0.240 1
1 844 . 3 1 1 A 72 72 LEU HA H 72 3.713 4.008 -0.295 1
1 854 . 3 1 1 A 72 72 LEU C C 72 178.998 179.152 -0.154 1
1 855 . 3 1 1 A 72 72 LEU CA C 72 58.622 57.926 0.696 1
1 856 . 3 1 1 A 72 72 LEU CB C 72 40.911 41.225 -0.314 1
1 859 . 3 1 1 A 72 72 LEU N N 72 120.539 120.861 -0.322 1
1 860 . 3 1 1 A 73 73 ARG H H 73 8.244 8.077 0.167 1
1 861 . 3 1 1 A 73 73 ARG HA H 73 4.100 4.073 0.027 1
1 869 . 3 1 1 A 73 73 ARG C C 73 178.935 178.603 0.332 1
1 870 . 3 1 1 A 73 73 ARG CA C 73 57.649 59.360 -1.711 1
1 871 . 3 1 1 A 73 73 ARG CB C 73 28.923 29.866 -0.943 1
1 874 . 3 1 1 A 73 73 ARG N N 73 115.473 119.462 -3.989 1
1 876 . 3 1 1 A 74 74 GLU H H 74 7.758 8.117 -0.359 1
1 877 . 3 1 1 A 74 74 GLU HA H 74 4.139 4.119 0.020 1
1 882 . 3 1 1 A 74 74 GLU C C 74 179.640 179.504 0.136 1
1 883 . 3 1 1 A 74 74 GLU CA C 74 59.519 59.512 0.007 1
1 884 . 3 1 1 A 74 74 GLU CB C 74 28.670 29.084 -0.414 1
1 886 . 3 1 1 A 74 74 GLU N N 74 122.400 118.891 3.509 1
1 887 . 3 1 1 A 75 75 LEU H H 75 8.387 7.813 0.574 1
1 888 . 3 1 1 A 75 75 LEU HA H 75 4.070 4.129 -0.059 1
1 898 . 3 1 1 A 75 75 LEU C C 75 178.024 179.304 -1.280 1
1 899 . 3 1 1 A 75 75 LEU CA C 75 58.147 57.944 0.203 1
1 900 . 3 1 1 A 75 75 LEU CB C 75 42.673 41.250 1.423 1
1 904 . 3 1 1 A 75 75 LEU N N 75 119.699 120.844 -1.145 1
1 905 . 3 1 1 A 76 76 GLU H H 76 8.537 8.669 -0.132 1
1 906 . 3 1 1 A 76 76 GLU HA H 76 3.751 3.992 -0.241 1
1 911 . 3 1 1 A 76 76 GLU C C 76 178.799 179.036 -0.237 1
1 912 . 3 1 1 A 76 76 GLU CA C 76 59.871 59.793 0.078 1
1 913 . 3 1 1 A 76 76 GLU CB C 76 30.145 29.152 0.993 1
1 915 . 3 1 1 A 76 76 GLU N N 76 120.074 120.018 0.056 1
1 916 . 3 1 1 A 77 77 ARG H H 77 8.032 7.362 0.670 1
1 917 . 3 1 1 A 77 77 ARG HA H 77 3.934 4.099 -0.165 1
1 924 . 3 1 1 A 77 77 ARG C C 77 179.220 178.423 0.797 1
1 925 . 3 1 1 A 77 77 ARG CA C 77 59.974 59.750 0.224 1
1 926 . 3 1 1 A 77 77 ARG CB C 77 30.413 29.918 0.495 1
1 929 . 3 1 1 A 77 77 ARG N N 77 120.100 118.799 1.301 1
1 930 . 3 1 1 A 78 78 TYR H H 78 8.084 7.725 0.359 1
1 931 . 3 1 1 A 78 78 TYR HA H 78 4.260 4.211 0.049 1
1 938 . 3 1 1 A 78 78 TYR C C 78 178.620 177.311 1.309 1
1 939 . 3 1 1 A 78 78 TYR CA C 78 61.507 61.336 0.171 1
1 940 . 3 1 1 A 78 78 TYR CB C 78 38.440 38.534 -0.094 1
1 945 . 3 1 1 A 78 78 TYR N N 78 120.327 121.255 -0.928 1
1 946 . 3 1 1 A 79 79 VAL H H 79 9.136 8.037 1.099 1
1 947 . 3 1 1 A 79 79 VAL HA H 79 3.161 3.647 -0.486 1
1 955 . 3 1 1 A 79 79 VAL C C 79 178.067 178.297 -0.230 1
1 956 . 3 1 1 A 79 79 VAL CA C 79 67.306 65.631 1.675 1
1 957 . 3 1 1 A 79 79 VAL CB C 79 31.505 31.560 -0.055 1
1 960 . 3 1 1 A 79 79 VAL N N 79 120.576 118.961 1.615 1
1 961 . 3 1 1 A 80 80 THR H H 80 8.297 8.205 0.092 1
1 962 . 3 1 1 A 80 80 THR HA H 80 3.721 3.963 -0.242 1
1 967 . 3 1 1 A 80 80 THR C C 80 176.623 176.783 -0.160 1
1 968 . 3 1 1 A 80 80 THR CA C 80 66.823 65.839 0.984 1
1 969 . 3 1 1 A 80 80 THR CB C 80 68.508 68.371 0.137 1
1 971 . 3 1 1 A 80 80 THR N N 80 115.107 117.347 -2.240 1
1 972 . 3 1 1 A 81 81 SER H H 81 7.537 8.078 -0.541 1
1 973 . 3 1 1 A 81 81 SER HA H 81 4.165 4.179 -0.014 1
1 976 . 3 1 1 A 81 81 SER C C 81 176.196 176.070 0.126 1
1 977 . 3 1 1 A 81 81 SER CA C 81 61.371 61.366 0.005 1
1 978 . 3 1 1 A 81 81 SER CB C 81 62.826 63.508 -0.682 1
1 979 . 3 1 1 A 81 81 SER N N 81 116.178 117.410 -1.232 1
1 980 . 3 1 1 A 82 82 CYS H H 82 7.523 7.921 -0.398 1
1 981 . 3 1 1 A 82 82 CYS HA H 82 4.084 4.047 0.037 1
1 984 . 3 1 1 A 82 82 CYS C C 82 176.363 176.946 -0.583 1
1 985 . 3 1 1 A 82 82 CYS CA C 82 62.173 61.849 0.324 1
1 986 . 3 1 1 A 82 82 CYS CB C 82 27.872 26.778 1.094 1
1 987 . 3 1 1 A 82 82 CYS N N 82 118.207 120.805 -2.598 1
1 988 . 3 1 1 A 83 83 LEU H H 83 7.652 7.997 -0.345 1
1 989 . 3 1 1 A 83 83 LEU HA H 83 4.216 4.048 0.168 1
1 999 . 3 1 1 A 83 83 LEU C C 83 177.349 177.111 0.238 1
1 1000 . 3 1 1 A 83 83 LEU CA C 83 55.521 57.276 -1.755 1
1 1001 . 3 1 1 A 83 83 LEU CB C 83 42.550 41.777 0.773 1
1 1005 . 3 1 1 A 83 83 LEU N N 83 118.141 120.451 -2.310 1
1 1006 . 3 1 1 A 84 84 ARG H H 84 7.754 7.603 0.151 1
1 1007 . 3 1 1 A 84 84 ARG HA H 84 4.153 4.198 -0.045 1
1 1014 . 3 1 1 A 84 84 ARG C C 84 176.300 175.826 0.474 1
1 1015 . 3 1 1 A 84 84 ARG CA C 84 56.829 57.508 -0.679 1
1 1016 . 3 1 1 A 84 84 ARG CB C 84 29.926 29.932 -0.006 1
1 1019 . 3 1 1 A 84 84 ARG N N 84 118.881 119.422 -0.541 1
1 1020 . 3 1 1 A 85 85 LYS H H 85 7.904 7.892 0.012 1
1 1021 . 3 1 1 A 85 85 LYS HA H 85 4.178 4.159 0.019 1
1 1030 . 3 1 1 A 85 85 LYS C C 85 176.549 175.654 0.895 1
1 1031 . 3 1 1 A 85 85 LYS CA C 85 56.514 56.505 0.009 1
1 1032 . 3 1 1 A 85 85 LYS CB C 85 32.931 33.246 -0.315 1
1 1036 . 3 1 1 A 85 85 LYS N N 85 120.528 122.183 -1.655 1
1 1037 . 3 1 1 A 86 86 LYS H H 86 8.139 7.943 0.196 1
1 1038 . 3 1 1 A 86 86 LYS HA H 86 4.194 4.237 -0.043 1
1 1047 . 3 1 1 A 86 86 LYS C C 86 176.395 176.671 -0.276 1
1 1048 . 3 1 1 A 86 86 LYS CA C 86 56.244 56.583 -0.339 1
1 1049 . 3 1 1 A 86 86 LYS CB C 86 32.971 33.680 -0.709 1
1 1053 . 3 1 1 A 86 86 LYS N N 86 121.979 126.940 -4.961 1
1 1054 . 3 1 1 A 87 87 ARG H H 87 8.242 8.672 -0.430 1
1 1055 . 3 1 1 A 87 87 ARG HA H 87 4.223 4.241 -0.018 1
1 1062 . 3 1 1 A 87 87 ARG C C 87 175.989 176.746 -0.757 1
1 1063 . 3 1 1 A 87 87 ARG CA C 87 55.953 56.075 -0.122 1
1 1064 . 3 1 1 A 87 87 ARG CB C 87 31.019 30.132 0.887 1
1 1067 . 3 1 1 A 87 87 ARG N N 87 122.606 125.288 -2.682 1
1 1068 . 3 1 1 A 88 88 LYS H H 88 8.318 8.766 -0.448 1
1 1069 . 3 1 1 A 88 88 LYS HA H 88 4.506 4.253 0.253 1
1 1074 . 3 1 1 A 88 88 LYS C C 88 174.589 175.583 -0.994 1
1 1075 . 3 1 1 A 88 88 LYS CA C 88 54.349 58.082 -3.733 1
1 1076 . 3 1 1 A 88 88 LYS CB C 88 32.576 31.285 1.291 1
1 1077 . 3 1 1 A 88 88 LYS N N 88 124.253 119.355 4.898 1
1 1078 . 3 1 1 A 89 89 PRO HA H 89 4.327 4.704 -0.377 1
1 1085 . 3 1 1 A 89 89 PRO C C 89 176.044 175.505 0.539 1
1 1086 . 3 1 1 A 89 89 PRO CA C 89 63.489 62.939 0.550 1
1 1087 . 3 1 1 A 89 89 PRO CB C 89 31.921 31.773 0.148 1
1 1 . 4 1 1 A 4 4 GLY C C 4 174.318 175.036 -0.718 1
1 2 . 4 1 1 A 4 4 GLY CA C 4 45.318 45.329 -0.011 1
1 3 . 4 1 1 A 5 5 SER H H 5 8.211 7.954 0.257 1
1 4 . 4 1 1 A 5 5 SER HA H 5 4.460 4.538 -0.078 1
1 7 . 4 1 1 A 5 5 SER C C 5 174.891 173.153 1.738 1
1 8 . 4 1 1 A 5 5 SER CA C 5 58.299 58.346 -0.047 1
1 9 . 4 1 1 A 5 5 SER CB C 5 64.052 64.980 -0.928 1
1 10 . 4 1 1 A 5 5 SER N N 5 115.510 117.703 -2.193 1
1 11 . 4 1 1 A 6 6 SER H H 6 8.444 8.705 -0.261 1
1 12 . 4 1 1 A 6 6 SER HA H 6 4.428 4.822 -0.394 1
1 15 . 4 1 1 A 6 6 SER C C 6 175.096 173.859 1.237 1
1 16 . 4 1 1 A 6 6 SER CA C 6 58.706 57.239 1.467 1
1 17 . 4 1 1 A 6 6 SER CB C 6 63.920 67.053 -3.133 1
1 18 . 4 1 1 A 6 6 SER N N 6 117.613 115.188 2.425 1
1 19 . 4 1 1 A 7 7 GLY H H 7 8.359 8.649 -0.290 1
1 20 . 4 1 1 A 7 7 GLY HA2 H 7 3.916 3.840 0.076 1
1 21 . 4 1 1 A 7 7 GLY HA3 H 7 3.916 3.840 0.076 1
1 22 . 4 1 1 A 7 7 GLY C C 7 174.309 175.021 -0.712 1
1 23 . 4 1 1 A 7 7 GLY CA C 7 45.399 45.938 -0.539 1
1 24 . 4 1 1 A 7 7 GLY N N 7 110.468 111.779 -1.311 1
1 25 . 4 1 1 A 8 8 GLU H H 8 8.235 7.953 0.282 1
1 26 . 4 1 1 A 8 8 GLU HA H 8 4.248 4.304 -0.056 1
1 31 . 4 1 1 A 8 8 GLU C C 8 176.732 176.452 0.280 1
1 32 . 4 1 1 A 8 8 GLU CA C 8 56.630 57.522 -0.892 1
1 33 . 4 1 1 A 8 8 GLU CB C 8 30.243 30.536 -0.293 1
1 35 . 4 1 1 A 8 8 GLU N N 8 120.254 120.966 -0.712 1
1 36 . 4 1 1 A 9 9 SER H H 9 8.327 8.596 -0.269 1
1 37 . 4 1 1 A 9 9 SER HA H 9 4.385 4.703 -0.318 1
1 40 . 4 1 1 A 9 9 SER C C 9 174.682 175.581 -0.899 1
1 41 . 4 1 1 A 9 9 SER CA C 9 58.470 58.707 -0.237 1
1 42 . 4 1 1 A 9 9 SER CB C 9 63.742 64.516 -0.774 1
1 43 . 4 1 1 A 9 9 SER N N 9 116.213 119.131 -2.918 1
1 44 . 4 1 1 A 10 10 GLU H H 10 8.428 8.261 0.167 1
1 45 . 4 1 1 A 10 10 GLU HA H 10 4.232 4.162 0.070 1
1 50 . 4 1 1 A 10 10 GLU C C 10 176.769 178.495 -1.726 1
1 51 . 4 1 1 A 10 10 GLU CA C 10 56.887 59.296 -2.409 1
1 52 . 4 1 1 A 10 10 GLU CB C 10 30.267 29.715 0.552 1
1 54 . 4 1 1 A 10 10 GLU N N 10 122.618 120.208 2.410 1
1 55 . 4 1 1 A 11 11 GLU H H 11 8.315 8.349 -0.034 1
1 56 . 4 1 1 A 11 11 GLU HA H 11 4.179 4.179 0.000 1
1 61 . 4 1 1 A 11 11 GLU C C 11 177.182 178.805 -1.623 1
1 62 . 4 1 1 A 11 11 GLU CA C 11 56.896 58.926 -2.030 1
1 63 . 4 1 1 A 11 11 GLU CB C 11 30.317 29.303 1.014 1
1 65 . 4 1 1 A 11 11 GLU N N 11 120.909 119.671 1.238 1
1 66 . 4 1 1 A 12 12 GLU H H 12 8.333 7.915 0.418 1
1 67 . 4 1 1 A 12 12 GLU HA H 12 4.100 4.161 -0.061 1
1 72 . 4 1 1 A 12 12 GLU C C 12 176.860 176.753 0.107 1
1 73 . 4 1 1 A 12 12 GLU CA C 12 57.495 59.361 -1.866 1
1 74 . 4 1 1 A 12 12 GLU CB C 12 30.221 29.627 0.594 1
1 76 . 4 1 1 A 12 12 GLU N N 12 121.578 116.823 4.755 1
1 77 . 4 1 1 A 13 13 ASP H H 13 8.332 7.959 0.373 1
1 78 . 4 1 1 A 13 13 ASP HA H 13 4.468 4.205 0.263 1
1 81 . 4 1 1 A 13 13 ASP C C 13 176.833 174.719 2.114 1
1 82 . 4 1 1 A 13 13 ASP CA C 13 54.921 55.289 -0.368 1
1 83 . 4 1 1 A 13 13 ASP CB C 13 40.912 39.815 1.097 1
1 84 . 4 1 1 A 13 13 ASP N N 13 120.147 119.789 0.358 1
1 85 . 4 1 1 A 14 14 LYS H H 14 8.014 7.742 0.272 1
1 86 . 4 1 1 A 14 14 LYS HA H 14 4.204 4.720 -0.516 1
1 95 . 4 1 1 A 14 14 LYS C C 14 176.568 175.805 0.763 1
1 96 . 4 1 1 A 14 14 LYS CA C 14 56.558 55.358 1.200 1
1 97 . 4 1 1 A 14 14 LYS CB C 14 32.598 34.268 -1.670 1
1 101 . 4 1 1 A 14 14 LYS N N 14 120.485 118.509 1.976 1
1 102 . 4 1 1 A 15 15 CYS H H 15 8.013 8.819 -0.806 1
1 103 . 4 1 1 A 15 15 CYS HA H 15 4.304 5.222 -0.918 1
1 106 . 4 1 1 A 15 15 CYS C C 15 173.801 174.037 -0.236 1
1 107 . 4 1 1 A 15 15 CYS CA C 15 58.337 57.697 0.640 1
1 108 . 4 1 1 A 15 15 CYS CB C 15 28.061 31.582 -3.521 1
1 109 . 4 1 1 A 15 15 CYS N N 15 118.099 121.153 -3.054 1
1 110 . 4 1 1 A 16 16 LYS H H 16 8.287 8.413 -0.126 1
1 111 . 4 1 1 A 16 16 LYS HA H 16 4.491 4.547 -0.056 1
1 120 . 4 1 1 A 16 16 LYS C C 16 175.117 175.488 -0.371 1
1 121 . 4 1 1 A 16 16 LYS CA C 16 54.512 54.651 -0.139 1
1 122 . 4 1 1 A 16 16 LYS CB C 16 32.697 31.427 1.270 1
1 124 . 4 1 1 A 16 16 LYS N N 16 125.369 123.319 2.050 1
1 125 . 4 1 1 A 17 17 PRO HA H 17 4.247 4.635 -0.388 1
1 132 . 4 1 1 A 17 17 PRO C C 17 176.956 175.543 1.413 1
1 133 . 4 1 1 A 17 17 PRO CA C 17 63.088 62.379 0.709 1
1 134 . 4 1 1 A 17 17 PRO CB C 17 32.244 33.034 -0.790 1
1 137 . 4 1 1 A 18 18 MET H H 18 8.516 8.405 0.111 1
1 138 . 4 1 1 A 18 18 MET HA H 18 4.488 4.925 -0.437 1
1 146 . 4 1 1 A 18 18 MET C C 18 176.759 175.357 1.402 1
1 147 . 4 1 1 A 18 18 MET CA C 18 56.169 54.715 1.454 1
1 148 . 4 1 1 A 18 18 MET CB C 18 35.531 35.870 -0.339 1
1 151 . 4 1 1 A 18 18 MET N N 18 121.801 119.530 2.271 1
1 152 . 4 1 1 A 19 19 SER H H 19 9.100 8.812 0.288 1
1 153 . 4 1 1 A 19 19 SER HA H 19 4.459 4.673 -0.214 1
1 156 . 4 1 1 A 19 19 SER C C 19 175.018 174.962 0.056 1
1 157 . 4 1 1 A 19 19 SER CA C 19 56.894 57.911 -1.017 1
1 158 . 4 1 1 A 19 19 SER CB C 19 65.854 64.112 1.742 1
1 159 . 4 1 1 A 19 19 SER N N 19 119.212 119.779 -0.567 1
1 160 . 4 1 1 A 20 20 TYR H H 20 8.959 9.330 -0.371 1
1 161 . 4 1 1 A 20 20 TYR HA H 20 4.029 4.147 -0.118 1
1 168 . 4 1 1 A 20 20 TYR C C 20 177.960 177.304 0.656 1
1 169 . 4 1 1 A 20 20 TYR CA C 20 62.463 62.644 -0.181 1
1 170 . 4 1 1 A 20 20 TYR CB C 20 38.009 38.929 -0.920 1
1 175 . 4 1 1 A 20 20 TYR N N 20 121.218 126.077 -4.859 1
1 176 . 4 1 1 A 21 21 GLU H H 21 8.825 8.227 0.598 1
1 177 . 4 1 1 A 21 21 GLU HA H 21 3.811 3.745 0.066 1
1 182 . 4 1 1 A 21 21 GLU C C 21 179.481 179.210 0.271 1
1 183 . 4 1 1 A 21 21 GLU CA C 21 59.951 59.880 0.071 1
1 184 . 4 1 1 A 21 21 GLU CB C 21 28.823 29.312 -0.489 1
1 186 . 4 1 1 A 21 21 GLU N N 21 118.696 118.083 0.613 1
1 187 . 4 1 1 A 22 22 GLU H H 22 7.771 8.043 -0.272 1
1 188 . 4 1 1 A 22 22 GLU HA H 22 3.899 4.064 -0.165 1
1 193 . 4 1 1 A 22 22 GLU C C 22 179.680 179.092 0.588 1
1 194 . 4 1 1 A 22 22 GLU CA C 22 59.498 58.936 0.562 1
1 195 . 4 1 1 A 22 22 GLU CB C 22 30.385 29.760 0.625 1
1 197 . 4 1 1 A 22 22 GLU N N 22 120.141 120.317 -0.176 1
1 198 . 4 1 1 A 23 23 LYS H H 23 8.101 7.768 0.333 1
1 199 . 4 1 1 A 23 23 LYS HA H 23 3.662 3.690 -0.028 1
1 208 . 4 1 1 A 23 23 LYS C C 23 178.250 179.048 -0.798 1
1 209 . 4 1 1 A 23 23 LYS CA C 23 60.345 59.650 0.695 1
1 210 . 4 1 1 A 23 23 LYS CB C 23 32.611 32.044 0.567 1
1 214 . 4 1 1 A 23 23 LYS N N 23 120.594 119.519 1.075 1
1 215 . 4 1 1 A 24 24 ARG H H 24 8.030 7.907 0.123 1
1 216 . 4 1 1 A 24 24 ARG HA H 24 3.721 3.971 -0.250 1
1 223 . 4 1 1 A 24 24 ARG C C 24 178.992 178.879 0.113 1
1 224 . 4 1 1 A 24 24 ARG CA C 24 59.055 59.176 -0.121 1
1 225 . 4 1 1 A 24 24 ARG CB C 24 29.623 29.726 -0.103 1
1 228 . 4 1 1 A 24 24 ARG N N 24 120.100 118.619 1.481 1
1 229 . 4 1 1 A 25 25 GLN H H 25 7.940 7.815 0.125 1
1 230 . 4 1 1 A 25 25 GLN HA H 25 3.706 3.986 -0.280 1
1 237 . 4 1 1 A 25 25 GLN C C 25 177.078 177.966 -0.888 1
1 238 . 4 1 1 A 25 25 GLN CA C 25 58.104 58.633 -0.529 1
1 239 . 4 1 1 A 25 25 GLN CB C 25 28.294 28.094 0.200 1
1 241 . 4 1 1 A 25 25 GLN N N 25 118.586 119.700 -1.114 1
1 243 . 4 1 1 A 26 26 LEU H H 26 7.843 7.789 0.054 1
1 244 . 4 1 1 A 26 26 LEU HA H 26 4.182 3.983 0.199 1
1 254 . 4 1 1 A 26 26 LEU C C 26 178.116 178.613 -0.497 1
1 255 . 4 1 1 A 26 26 LEU CA C 26 57.867 57.803 0.064 1
1 256 . 4 1 1 A 26 26 LEU CB C 26 41.167 41.033 0.134 1
1 259 . 4 1 1 A 26 26 LEU N N 26 119.570 121.589 -2.019 1
1 260 . 4 1 1 A 27 27 SER H H 27 7.710 7.590 0.120 1
1 261 . 4 1 1 A 27 27 SER HA H 27 3.869 4.214 -0.345 1
1 264 . 4 1 1 A 27 27 SER C C 27 176.845 177.578 -0.733 1
1 265 . 4 1 1 A 27 27 SER CA C 27 61.478 61.567 -0.089 1
1 266 . 4 1 1 A 27 27 SER CB C 27 62.828 63.034 -0.206 1
1 267 . 4 1 1 A 27 27 SER N N 27 112.126 114.803 -2.677 1
1 268 . 4 1 1 A 28 28 LEU H H 28 7.613 8.177 -0.564 1
1 269 . 4 1 1 A 28 28 LEU HA H 28 3.954 3.907 0.047 1
1 279 . 4 1 1 A 28 28 LEU C C 28 180.044 178.308 1.736 1
1 280 . 4 1 1 A 28 28 LEU CA C 28 57.862 58.069 -0.207 1
1 281 . 4 1 1 A 28 28 LEU CB C 28 41.703 41.502 0.201 1
1 285 . 4 1 1 A 28 28 LEU N N 28 120.774 121.798 -1.024 1
1 286 . 4 1 1 A 29 29 ASP H H 29 8.476 7.965 0.511 1
1 287 . 4 1 1 A 29 29 ASP HA H 29 4.236 4.420 -0.184 1
1 290 . 4 1 1 A 29 29 ASP C C 29 179.532 179.052 0.480 1
1 291 . 4 1 1 A 29 29 ASP CA C 29 57.618 57.211 0.407 1
1 292 . 4 1 1 A 29 29 ASP CB C 29 40.447 40.719 -0.272 1
1 293 . 4 1 1 A 29 29 ASP N N 29 120.971 118.552 2.419 1
1 294 . 4 1 1 A 30 30 ILE H H 30 8.558 8.103 0.455 1
1 295 . 4 1 1 A 30 30 ILE HA H 30 3.564 3.702 -0.138 1
1 305 . 4 1 1 A 30 30 ILE C C 30 178.098 178.264 -0.166 1
1 306 . 4 1 1 A 30 30 ILE CA C 30 65.616 65.335 0.281 1
1 307 . 4 1 1 A 30 30 ILE CB C 30 37.697 37.977 -0.280 1
1 311 . 4 1 1 A 30 30 ILE N N 30 120.240 121.463 -1.223 1
1 312 . 4 1 1 A 31 31 ASN H H 31 7.350 8.214 -0.864 1
1 313 . 4 1 1 A 31 31 ASN HA H 31 4.560 4.622 -0.062 1
1 318 . 4 1 1 A 31 31 ASN C C 31 175.952 176.494 -0.542 1
1 319 . 4 1 1 A 31 31 ASN CA C 31 54.997 55.975 -0.978 1
1 320 . 4 1 1 A 31 31 ASN CB C 31 38.769 38.360 0.409 1
1 321 . 4 1 1 A 31 31 ASN N N 31 115.285 117.002 -1.717 1
1 323 . 4 1 1 A 32 32 LYS H H 32 7.509 7.597 -0.088 1
1 324 . 4 1 1 A 32 32 LYS HA H 32 4.286 4.343 -0.057 1
1 333 . 4 1 1 A 32 32 LYS C C 32 177.232 177.139 0.093 1
1 334 . 4 1 1 A 32 32 LYS CA C 32 56.330 57.164 -0.834 1
1 335 . 4 1 1 A 32 32 LYS CB C 32 33.570 33.328 0.242 1
1 339 . 4 1 1 A 32 32 LYS N N 32 117.496 117.348 0.148 1
1 340 . 4 1 1 A 33 33 LEU H H 33 7.455 7.140 0.315 1
1 341 . 4 1 1 A 33 33 LEU HA H 33 4.265 4.419 -0.154 1
1 351 . 4 1 1 A 33 33 LEU CA C 33 53.436 53.599 -0.163 1
1 352 . 4 1 1 A 33 33 LEU CB C 33 41.464 41.415 0.049 1
1 356 . 4 1 1 A 33 33 LEU N N 33 120.501 121.290 -0.789 1
1 357 . 4 1 1 A 34 34 PRO HA H 34 4.561 4.596 -0.035 1
1 364 . 4 1 1 A 34 34 PRO C C 34 178.359 178.180 0.179 1
1 365 . 4 1 1 A 34 34 PRO CA C 34 62.251 62.490 -0.239 1
1 366 . 4 1 1 A 34 34 PRO CB C 34 32.489 32.670 -0.181 1
1 369 . 4 1 1 A 35 35 GLY H H 35 8.865 8.721 0.144 1
1 370 . 4 1 1 A 35 35 GLY HA2 H 35 3.709 3.842 -0.133 1
1 371 . 4 1 1 A 35 35 GLY HA3 H 35 4.005 3.847 0.158 1
1 372 . 4 1 1 A 35 35 GLY C C 35 176.845 175.829 1.016 1
1 373 . 4 1 1 A 35 35 GLY CA C 35 48.165 47.276 0.889 1
1 374 . 4 1 1 A 35 35 GLY N N 35 109.986 110.743 -0.757 1
1 375 . 4 1 1 A 36 36 GLU H H 36 9.360 9.020 0.340 1
1 376 . 4 1 1 A 36 36 GLU HA H 36 4.233 4.078 0.155 1
1 381 . 4 1 1 A 36 36 GLU C C 36 178.326 177.908 0.418 1
1 382 . 4 1 1 A 36 36 GLU CA C 36 58.964 58.774 0.190 1
1 383 . 4 1 1 A 36 36 GLU CB C 36 28.689 28.481 0.208 1
1 385 . 4 1 1 A 36 36 GLU N N 36 119.485 121.153 -1.668 1
1 386 . 4 1 1 A 37 37 LYS H H 37 7.734 7.871 -0.137 1
1 387 . 4 1 1 A 37 37 LYS HA H 37 4.516 4.458 0.058 1
1 396 . 4 1 1 A 37 37 LYS C C 37 178.698 178.303 0.395 1
1 397 . 4 1 1 A 37 37 LYS CA C 37 55.977 56.802 -0.825 1
1 398 . 4 1 1 A 37 37 LYS CB C 37 32.981 33.244 -0.263 1
1 402 . 4 1 1 A 37 37 LYS N N 37 116.668 119.005 -2.337 1
1 403 . 4 1 1 A 38 38 LEU H H 38 7.882 8.088 -0.206 1
1 404 . 4 1 1 A 38 38 LEU HA H 38 4.103 3.975 0.128 1
1 414 . 4 1 1 A 38 38 LEU C C 38 179.042 178.697 0.345 1
1 415 . 4 1 1 A 38 38 LEU CA C 38 57.832 57.935 -0.103 1
1 416 . 4 1 1 A 38 38 LEU CB C 38 41.753 41.889 -0.136 1
1 420 . 4 1 1 A 38 38 LEU N N 38 121.898 122.126 -0.228 1
1 421 . 4 1 1 A 39 39 GLY H H 39 8.212 7.769 0.443 1
1 422 . 4 1 1 A 39 39 GLY HA2 H 39 3.720 3.991 -0.271 1
1 423 . 4 1 1 A 39 39 GLY HA3 H 39 3.853 3.994 -0.141 1
1 424 . 4 1 1 A 39 39 GLY C C 39 176.507 175.185 1.322 1
1 425 . 4 1 1 A 39 39 GLY CA C 39 47.218 46.553 0.665 1
1 426 . 4 1 1 A 39 39 GLY N N 39 106.042 106.223 -0.181 1
1 427 . 4 1 1 A 40 40 ARG H H 40 7.416 7.712 -0.296 1
1 428 . 4 1 1 A 40 40 ARG HA H 40 4.031 4.123 -0.092 1
1 435 . 4 1 1 A 40 40 ARG C C 40 177.974 178.498 -0.524 1
1 436 . 4 1 1 A 40 40 ARG CA C 40 57.460 58.031 -0.571 1
1 437 . 4 1 1 A 40 40 ARG CB C 40 29.051 30.071 -1.020 1
1 440 . 4 1 1 A 40 40 ARG N N 40 120.046 120.893 -0.847 1
1 441 . 4 1 1 A 41 41 VAL H H 41 7.417 7.613 -0.196 1
1 442 . 4 1 1 A 41 41 VAL HA H 41 3.285 3.445 -0.160 1
1 450 . 4 1 1 A 41 41 VAL C C 41 177.090 177.611 -0.521 1
1 451 . 4 1 1 A 41 41 VAL CA C 41 66.979 66.368 0.611 1
1 452 . 4 1 1 A 41 41 VAL CB C 41 31.059 31.645 -0.586 1
1 455 . 4 1 1 A 41 41 VAL N N 41 119.285 120.137 -0.852 1
1 456 . 4 1 1 A 42 42 VAL H H 42 7.493 8.244 -0.751 1
1 457 . 4 1 1 A 42 42 VAL HA H 42 3.395 3.745 -0.350 1
1 465 . 4 1 1 A 42 42 VAL C C 42 177.200 177.604 -0.404 1
1 466 . 4 1 1 A 42 42 VAL CA C 42 66.764 65.314 1.450 1
1 467 . 4 1 1 A 42 42 VAL CB C 42 31.296 31.139 0.157 1
1 470 . 4 1 1 A 42 42 VAL N N 42 116.606 120.182 -3.576 1
1 471 . 4 1 1 A 43 43 HIS H H 43 7.602 7.898 -0.296 1
1 472 . 4 1 1 A 43 43 HIS HA H 43 4.264 4.163 0.101 1
1 477 . 4 1 1 A 43 43 HIS C C 43 178.854 177.304 1.550 1
1 478 . 4 1 1 A 43 43 HIS CA C 43 59.824 59.352 0.472 1
1 479 . 4 1 1 A 43 43 HIS CB C 43 30.605 29.767 0.838 1
1 482 . 4 1 1 A 43 43 HIS N N 43 118.867 120.692 -1.825 1
1 483 . 4 1 1 A 44 44 ILE H H 44 8.344 7.949 0.395 1
1 484 . 4 1 1 A 44 44 ILE HA H 44 3.375 3.630 -0.255 1
1 494 . 4 1 1 A 44 44 ILE C C 44 178.054 178.007 0.047 1
1 495 . 4 1 1 A 44 44 ILE CA C 44 65.922 64.482 1.440 1
1 496 . 4 1 1 A 44 44 ILE CB C 44 37.950 37.615 0.335 1
1 500 . 4 1 1 A 44 44 ILE N N 44 121.530 119.225 2.305 1
1 501 . 4 1 1 A 45 45 ILE H H 45 7.604 7.760 -0.156 1
1 502 . 4 1 1 A 45 45 ILE HA H 45 3.311 3.563 -0.252 1
1 512 . 4 1 1 A 45 45 ILE C C 45 177.378 178.027 -0.649 1
1 513 . 4 1 1 A 45 45 ILE CA C 45 66.577 65.311 1.266 1
1 514 . 4 1 1 A 45 45 ILE CB C 45 38.168 37.662 0.506 1
1 518 . 4 1 1 A 45 45 ILE N N 45 117.572 121.010 -3.438 1
1 519 . 4 1 1 A 46 46 GLN H H 46 8.626 7.800 0.826 1
1 520 . 4 1 1 A 46 46 GLN HA H 46 3.719 3.992 -0.273 1
1 527 . 4 1 1 A 46 46 GLN C C 46 177.483 177.307 0.176 1
1 528 . 4 1 1 A 46 46 GLN CA C 46 59.443 58.458 0.985 1
1 529 . 4 1 1 A 46 46 GLN CB C 46 28.832 28.474 0.358 1
1 531 . 4 1 1 A 46 46 GLN N N 46 115.916 118.753 -2.837 1
1 533 . 4 1 1 A 47 47 SER H H 47 7.862 7.829 0.033 1
1 534 . 4 1 1 A 47 47 SER HA H 47 4.064 4.308 -0.244 1
1 537 . 4 1 1 A 47 47 SER C C 47 175.615 175.277 0.338 1
1 538 . 4 1 1 A 47 47 SER CA C 47 60.602 60.208 0.394 1
1 539 . 4 1 1 A 47 47 SER CB C 47 63.313 63.204 0.109 1
1 540 . 4 1 1 A 47 47 SER N N 47 110.902 115.108 -4.206 1
1 541 . 4 1 1 A 48 48 ARG H H 48 7.362 8.112 -0.750 1
1 542 . 4 1 1 A 48 48 ARG HA H 48 4.306 4.419 -0.113 1
1 549 . 4 1 1 A 48 48 ARG C C 48 176.365 176.083 0.282 1
1 550 . 4 1 1 A 48 48 ARG CA C 48 55.992 56.565 -0.573 1
1 551 . 4 1 1 A 48 48 ARG CB C 48 33.000 31.748 1.252 1
1 554 . 4 1 1 A 48 48 ARG N N 48 118.403 118.313 0.090 1
1 555 . 4 1 1 A 49 49 GLU H H 49 7.714 7.884 -0.170 1
1 556 . 4 1 1 A 49 49 GLU HA H 49 4.806 4.743 0.063 1
1 561 . 4 1 1 A 49 49 GLU C C 49 174.213 174.940 -0.727 1
1 562 . 4 1 1 A 49 49 GLU CA C 49 52.903 53.435 -0.532 1
1 563 . 4 1 1 A 49 49 GLU CB C 49 28.835 30.298 -1.463 1
1 565 . 4 1 1 A 49 49 GLU N N 49 118.387 119.501 -1.114 1
1 566 . 4 1 1 A 50 50 PRO HA H 50 4.273 4.273 0.000 1
1 573 . 4 1 1 A 50 50 PRO C C 50 178.412 178.260 0.152 1
1 574 . 4 1 1 A 50 50 PRO CA C 50 64.641 64.874 -0.233 1
1 575 . 4 1 1 A 50 50 PRO CB C 50 32.045 32.140 -0.095 1
1 578 . 4 1 1 A 51 51 SER H H 51 8.290 8.334 -0.044 1
1 579 . 4 1 1 A 51 51 SER HA H 51 4.271 4.237 0.034 1
1 582 . 4 1 1 A 51 51 SER C C 51 175.130 174.893 0.237 1
1 583 . 4 1 1 A 51 51 SER CA C 51 59.824 60.710 -0.886 1
1 584 . 4 1 1 A 51 51 SER CB C 51 63.071 63.095 -0.024 1
1 585 . 4 1 1 A 51 51 SER N N 51 112.214 113.065 -0.851 1
1 586 . 4 1 1 A 52 52 LEU H H 52 7.882 7.370 0.512 1
1 587 . 4 1 1 A 52 52 LEU HA H 52 4.479 4.367 0.112 1
1 597 . 4 1 1 A 52 52 LEU C C 52 177.843 178.075 -0.232 1
1 598 . 4 1 1 A 52 52 LEU CA C 52 54.734 54.523 0.211 1
1 599 . 4 1 1 A 52 52 LEU CB C 52 42.500 42.432 0.068 1
1 603 . 4 1 1 A 52 52 LEU N N 52 121.800 118.348 3.452 1
1 604 . 4 1 1 A 53 53 LYS H H 53 7.638 9.096 -1.458 1
1 605 . 4 1 1 A 53 53 LYS HA H 53 4.022 4.021 0.001 1
1 614 . 4 1 1 A 53 53 LYS C C 53 176.270 177.364 -1.094 1
1 615 . 4 1 1 A 53 53 LYS CA C 53 58.288 58.388 -0.100 1
1 616 . 4 1 1 A 53 53 LYS CB C 53 32.924 31.219 1.705 1
1 620 . 4 1 1 A 53 53 LYS N N 53 121.559 119.389 2.170 1
1 621 . 4 1 1 A 54 54 ASN H H 54 8.266 7.578 0.688 1
1 622 . 4 1 1 A 54 54 ASN HA H 54 4.732 4.822 -0.090 1
1 627 . 4 1 1 A 54 54 ASN C C 54 175.097 175.006 0.091 1
1 628 . 4 1 1 A 54 54 ASN CA C 54 53.020 53.131 -0.111 1
1 629 . 4 1 1 A 54 54 ASN CB C 54 38.863 39.366 -0.503 1
1 630 . 4 1 1 A 54 54 ASN N N 54 116.053 117.078 -1.025 1
1 632 . 4 1 1 A 55 55 SER H H 55 7.692 7.289 0.403 1
1 633 . 4 1 1 A 55 55 SER HA H 55 4.288 4.723 -0.435 1
1 636 . 4 1 1 A 55 55 SER C C 55 173.418 173.658 -0.240 1
1 637 . 4 1 1 A 55 55 SER CA C 55 58.900 58.268 0.632 1
1 638 . 4 1 1 A 55 55 SER CB C 55 63.914 64.681 -0.767 1
1 639 . 4 1 1 A 55 55 SER N N 55 115.901 117.543 -1.642 1
1 640 . 4 1 1 A 56 56 ASN H H 56 8.574 8.465 0.109 1
1 641 . 4 1 1 A 56 56 ASN HA H 56 4.857 4.867 -0.010 1
1 646 . 4 1 1 A 56 56 ASN C C 56 174.843 175.736 -0.893 1
1 647 . 4 1 1 A 56 56 ASN CA C 56 50.974 51.327 -0.353 1
1 648 . 4 1 1 A 56 56 ASN CB C 56 38.744 39.154 -0.410 1
1 649 . 4 1 1 A 56 56 ASN N N 56 122.245 123.056 -0.811 1
1 651 . 4 1 1 A 57 57 PRO HA H 57 4.079 4.242 -0.163 1
1 658 . 4 1 1 A 57 57 PRO C C 57 176.856 177.963 -1.107 1
1 659 . 4 1 1 A 57 57 PRO CA C 57 64.733 65.160 -0.427 1
1 660 . 4 1 1 A 57 57 PRO CB C 57 31.968 31.840 0.128 1
1 663 . 4 1 1 A 58 58 ASP H H 58 8.024 8.466 -0.442 1
1 664 . 4 1 1 A 58 58 ASP HA H 58 4.445 4.473 -0.028 1
1 667 . 4 1 1 A 58 58 ASP C C 58 176.369 177.057 -0.688 1
1 668 . 4 1 1 A 58 58 ASP CA C 58 55.247 55.767 -0.520 1
1 669 . 4 1 1 A 58 58 ASP CB C 58 40.828 40.253 0.575 1
1 670 . 4 1 1 A 58 58 ASP N N 58 114.883 116.299 -1.416 1
1 671 . 4 1 1 A 59 59 GLU H H 59 7.663 7.707 -0.044 1
1 672 . 4 1 1 A 59 59 GLU HA H 59 4.341 4.381 -0.040 1
1 677 . 4 1 1 A 59 59 GLU C C 59 175.690 175.913 -0.223 1
1 678 . 4 1 1 A 59 59 GLU CA C 59 55.425 56.055 -0.630 1
1 679 . 4 1 1 A 59 59 GLU CB C 59 31.140 30.326 0.814 1
1 681 . 4 1 1 A 59 59 GLU N N 59 117.763 117.301 0.462 1
1 682 . 4 1 1 A 60 60 ILE H H 60 7.457 7.298 0.159 1
1 683 . 4 1 1 A 60 60 ILE HA H 60 3.962 4.202 -0.240 1
1 693 . 4 1 1 A 60 60 ILE C C 60 174.951 174.917 0.034 1
1 694 . 4 1 1 A 60 60 ILE CA C 60 61.416 60.788 0.628 1
1 695 . 4 1 1 A 60 60 ILE CB C 60 38.693 37.873 0.820 1
1 699 . 4 1 1 A 60 60 ILE N N 60 120.600 121.290 -0.690 1
1 700 . 4 1 1 A 61 61 GLU H H 61 8.267 8.812 -0.545 1
1 701 . 4 1 1 A 61 61 GLU HA H 61 4.333 4.600 -0.267 1
1 706 . 4 1 1 A 61 61 GLU C C 61 175.576 175.426 0.150 1
1 707 . 4 1 1 A 61 61 GLU CA C 61 55.085 55.980 -0.895 1
1 708 . 4 1 1 A 61 61 GLU CB C 61 30.717 30.109 0.608 1
1 710 . 4 1 1 A 61 61 GLU N N 61 126.935 127.456 -0.521 1
1 711 . 4 1 1 A 62 62 ILE H H 62 8.425 8.412 0.013 1
1 712 . 4 1 1 A 62 62 ILE HA H 62 3.570 4.380 -0.810 1
1 722 . 4 1 1 A 62 62 ILE C C 62 174.594 175.018 -0.424 1
1 723 . 4 1 1 A 62 62 ILE CA C 62 61.570 61.257 0.313 1
1 724 . 4 1 1 A 62 62 ILE CB C 62 38.187 37.575 0.612 1
1 728 . 4 1 1 A 62 62 ILE N N 62 124.857 126.066 -1.209 1
1 729 . 4 1 1 A 63 63 ASP H H 63 8.459 8.437 0.022 1
1 730 . 4 1 1 A 63 63 ASP HA H 63 4.691 4.689 0.002 1
1 733 . 4 1 1 A 63 63 ASP C C 63 177.284 174.836 2.448 1
1 734 . 4 1 1 A 63 63 ASP CA C 63 52.272 52.913 -0.641 1
1 735 . 4 1 1 A 63 63 ASP CB C 63 41.160 43.708 -2.548 1
1 736 . 4 1 1 A 63 63 ASP N N 63 126.597 126.066 0.531 1
1 737 . 4 1 1 A 64 64 PHE H H 64 8.609 8.699 -0.090 1
1 738 . 4 1 1 A 64 64 PHE HA H 64 4.016 4.470 -0.454 1
1 746 . 4 1 1 A 64 64 PHE C C 64 177.010 177.319 -0.309 1
1 747 . 4 1 1 A 64 64 PHE CA C 64 59.795 59.727 0.068 1
1 748 . 4 1 1 A 64 64 PHE CB C 64 38.084 39.464 -1.380 1
1 754 . 4 1 1 A 64 64 PHE N N 64 123.270 123.736 -0.466 1
1 755 . 4 1 1 A 65 65 GLU H H 65 8.317 9.028 -0.711 1
1 756 . 4 1 1 A 65 65 GLU HA H 65 4.171 4.180 -0.009 1
1 761 . 4 1 1 A 65 65 GLU C C 65 177.913 178.596 -0.683 1
1 762 . 4 1 1 A 65 65 GLU CA C 65 57.524 59.456 -1.932 1
1 763 . 4 1 1 A 65 65 GLU CB C 65 29.440 29.003 0.437 1
1 765 . 4 1 1 A 65 65 GLU N N 65 114.355 118.237 -3.882 1
1 766 . 4 1 1 A 66 66 THR H H 66 7.388 7.713 -0.325 1
1 767 . 4 1 1 A 66 66 THR HA H 66 4.396 4.366 0.030 1
1 772 . 4 1 1 A 66 66 THR C C 66 174.662 174.433 0.229 1
1 773 . 4 1 1 A 66 66 THR CA C 66 61.316 64.071 -2.755 1
1 774 . 4 1 1 A 66 66 THR CB C 66 69.711 69.929 -0.218 1
1 776 . 4 1 1 A 66 66 THR N N 66 106.424 113.386 -6.962 1
1 777 . 4 1 1 A 67 67 LEU H H 67 6.677 7.482 -0.805 1
1 778 . 4 1 1 A 67 67 LEU HA H 67 4.350 4.319 0.031 1
1 788 . 4 1 1 A 67 67 LEU C C 67 176.647 176.569 0.078 1
1 789 . 4 1 1 A 67 67 LEU CA C 67 54.104 54.584 -0.480 1
1 790 . 4 1 1 A 67 67 LEU CB C 67 43.365 42.421 0.944 1
1 794 . 4 1 1 A 67 67 LEU N N 67 120.589 123.913 -3.324 1
1 795 . 4 1 1 A 68 68 LYS H H 68 9.947 8.661 1.286 1
1 796 . 4 1 1 A 68 68 LYS HA H 68 4.387 4.355 0.032 1
1 805 . 4 1 1 A 68 68 LYS C C 68 176.786 176.680 0.106 1
1 806 . 4 1 1 A 68 68 LYS CA C 68 55.574 54.933 0.641 1
1 807 . 4 1 1 A 68 68 LYS CB C 68 31.897 31.958 -0.061 1
1 811 . 4 1 1 A 68 68 LYS N N 68 123.363 123.520 -0.157 1
1 812 . 4 1 1 A 69 69 PRO HA H 69 4.091 4.329 -0.238 1
1 819 . 4 1 1 A 69 69 PRO C C 69 178.646 177.962 0.684 1
1 820 . 4 1 1 A 69 69 PRO CA C 69 66.153 64.955 1.198 1
1 821 . 4 1 1 A 69 69 PRO CB C 69 31.985 32.047 -0.062 1
1 824 . 4 1 1 A 70 70 SER H H 70 8.490 8.206 0.284 1
1 825 . 4 1 1 A 70 70 SER HA H 70 4.231 4.209 0.022 1
1 828 . 4 1 1 A 70 70 SER C C 70 177.784 177.332 0.452 1
1 829 . 4 1 1 A 70 70 SER CA C 70 60.787 61.247 -0.460 1
1 830 . 4 1 1 A 70 70 SER CB C 70 61.797 62.533 -0.736 1
1 831 . 4 1 1 A 70 70 SER N N 70 109.802 112.758 -2.956 1
1 832 . 4 1 1 A 71 71 THR H H 71 7.340 7.790 -0.450 1
1 833 . 4 1 1 A 71 71 THR HA H 71 3.735 3.968 -0.233 1
1 838 . 4 1 1 A 71 71 THR C C 71 176.072 176.718 -0.646 1
1 839 . 4 1 1 A 71 71 THR CA C 71 65.913 66.913 -1.000 1
1 840 . 4 1 1 A 71 71 THR CB C 71 67.239 67.930 -0.691 1
1 842 . 4 1 1 A 71 71 THR N N 71 122.295 116.575 5.720 1
1 843 . 4 1 1 A 72 72 LEU H H 72 7.839 8.102 -0.263 1
1 844 . 4 1 1 A 72 72 LEU HA H 72 3.713 3.938 -0.225 1
1 854 . 4 1 1 A 72 72 LEU C C 72 178.998 179.447 -0.449 1
1 855 . 4 1 1 A 72 72 LEU CA C 72 58.622 57.646 0.976 1
1 856 . 4 1 1 A 72 72 LEU CB C 72 40.911 41.067 -0.156 1
1 859 . 4 1 1 A 72 72 LEU N N 72 120.539 121.127 -0.588 1
1 860 . 4 1 1 A 73 73 ARG H H 73 8.244 8.322 -0.078 1
1 861 . 4 1 1 A 73 73 ARG HA H 73 4.100 3.803 0.297 1
1 869 . 4 1 1 A 73 73 ARG C C 73 178.935 178.916 0.019 1
1 870 . 4 1 1 A 73 73 ARG CA C 73 57.649 59.623 -1.974 1
1 871 . 4 1 1 A 73 73 ARG CB C 73 28.923 29.688 -0.765 1
1 874 . 4 1 1 A 73 73 ARG N N 73 115.473 120.554 -5.081 1
1 876 . 4 1 1 A 74 74 GLU H H 74 7.758 7.602 0.156 1
1 877 . 4 1 1 A 74 74 GLU HA H 74 4.139 4.103 0.036 1
1 882 . 4 1 1 A 74 74 GLU C C 74 179.640 179.706 -0.066 1
1 883 . 4 1 1 A 74 74 GLU CA C 74 59.519 59.209 0.310 1
1 884 . 4 1 1 A 74 74 GLU CB C 74 28.670 29.403 -0.733 1
1 886 . 4 1 1 A 74 74 GLU N N 74 122.400 119.178 3.222 1
1 887 . 4 1 1 A 75 75 LEU H H 75 8.387 7.919 0.468 1
1 888 . 4 1 1 A 75 75 LEU HA H 75 4.070 4.084 -0.014 1
1 898 . 4 1 1 A 75 75 LEU C C 75 178.024 179.020 -0.996 1
1 899 . 4 1 1 A 75 75 LEU CA C 75 58.147 57.972 0.175 1
1 900 . 4 1 1 A 75 75 LEU CB C 75 42.673 41.373 1.300 1
1 904 . 4 1 1 A 75 75 LEU N N 75 119.699 120.214 -0.515 1
1 905 . 4 1 1 A 76 76 GLU H H 76 8.537 8.535 0.002 1
1 906 . 4 1 1 A 76 76 GLU HA H 76 3.751 3.829 -0.078 1
1 911 . 4 1 1 A 76 76 GLU C C 76 178.799 178.753 0.046 1
1 912 . 4 1 1 A 76 76 GLU CA C 76 59.871 60.079 -0.208 1
1 913 . 4 1 1 A 76 76 GLU CB C 76 30.145 29.199 0.946 1
1 915 . 4 1 1 A 76 76 GLU N N 76 120.074 119.973 0.101 1
1 916 . 4 1 1 A 77 77 ARG H H 77 8.032 7.699 0.333 1
1 917 . 4 1 1 A 77 77 ARG HA H 77 3.934 4.000 -0.066 1
1 924 . 4 1 1 A 77 77 ARG C C 77 179.220 178.082 1.138 1
1 925 . 4 1 1 A 77 77 ARG CA C 77 59.974 58.998 0.976 1
1 926 . 4 1 1 A 77 77 ARG CB C 77 30.413 29.923 0.490 1
1 929 . 4 1 1 A 77 77 ARG N N 77 120.100 119.886 0.214 1
1 930 . 4 1 1 A 78 78 TYR H H 78 8.084 7.860 0.224 1
1 931 . 4 1 1 A 78 78 TYR HA H 78 4.260 4.146 0.114 1
1 938 . 4 1 1 A 78 78 TYR C C 78 178.620 177.795 0.825 1
1 939 . 4 1 1 A 78 78 TYR CA C 78 61.507 61.338 0.169 1
1 940 . 4 1 1 A 78 78 TYR CB C 78 38.440 38.825 -0.385 1
1 945 . 4 1 1 A 78 78 TYR N N 78 120.327 120.689 -0.362 1
1 946 . 4 1 1 A 79 79 VAL H H 79 9.136 8.149 0.987 1
1 947 . 4 1 1 A 79 79 VAL HA H 79 3.161 3.748 -0.587 1
1 955 . 4 1 1 A 79 79 VAL C C 79 178.067 178.427 -0.360 1
1 956 . 4 1 1 A 79 79 VAL CA C 79 67.306 65.613 1.693 1
1 957 . 4 1 1 A 79 79 VAL CB C 79 31.505 31.614 -0.109 1
1 960 . 4 1 1 A 79 79 VAL N N 79 120.576 119.412 1.164 1
1 961 . 4 1 1 A 80 80 THR H H 80 8.297 8.189 0.108 1
1 962 . 4 1 1 A 80 80 THR HA H 80 3.721 3.941 -0.220 1
1 967 . 4 1 1 A 80 80 THR C C 80 176.623 175.869 0.754 1
1 968 . 4 1 1 A 80 80 THR CA C 80 66.823 65.827 0.996 1
1 969 . 4 1 1 A 80 80 THR CB C 80 68.508 68.521 -0.013 1
1 971 . 4 1 1 A 80 80 THR N N 80 115.107 117.271 -2.164 1
1 972 . 4 1 1 A 81 81 SER H H 81 7.537 8.102 -0.565 1
1 973 . 4 1 1 A 81 81 SER HA H 81 4.165 4.442 -0.277 1
1 976 . 4 1 1 A 81 81 SER C C 81 176.196 175.194 1.002 1
1 977 . 4 1 1 A 81 81 SER CA C 81 61.371 60.609 0.762 1
1 978 . 4 1 1 A 81 81 SER CB C 81 62.826 63.612 -0.786 1
1 979 . 4 1 1 A 81 81 SER N N 81 116.178 117.663 -1.485 1
1 980 . 4 1 1 A 82 82 CYS H H 82 7.523 7.376 0.147 1
1 981 . 4 1 1 A 82 82 CYS HA H 82 4.084 4.252 -0.168 1
1 984 . 4 1 1 A 82 82 CYS C C 82 176.363 176.337 0.026 1
1 985 . 4 1 1 A 82 82 CYS CA C 82 62.173 60.942 1.231 1
1 986 . 4 1 1 A 82 82 CYS CB C 82 27.872 27.600 0.272 1
1 987 . 4 1 1 A 82 82 CYS N N 82 118.207 119.500 -1.293 1
1 988 . 4 1 1 A 83 83 LEU H H 83 7.652 7.864 -0.212 1
1 989 . 4 1 1 A 83 83 LEU HA H 83 4.216 4.226 -0.010 1
1 999 . 4 1 1 A 83 83 LEU C C 83 177.349 177.429 -0.080 1
1 1000 . 4 1 1 A 83 83 LEU CA C 83 55.521 56.351 -0.830 1
1 1001 . 4 1 1 A 83 83 LEU CB C 83 42.550 42.172 0.378 1
1 1005 . 4 1 1 A 83 83 LEU N N 83 118.141 119.642 -1.501 1
1 1006 . 4 1 1 A 84 84 ARG H H 84 7.754 7.580 0.174 1
1 1007 . 4 1 1 A 84 84 ARG HA H 84 4.153 4.180 -0.027 1
1 1014 . 4 1 1 A 84 84 ARG C C 84 176.300 175.835 0.465 1
1 1015 . 4 1 1 A 84 84 ARG CA C 84 56.829 57.508 -0.679 1
1 1016 . 4 1 1 A 84 84 ARG CB C 84 29.926 29.958 -0.032 1
1 1019 . 4 1 1 A 84 84 ARG N N 84 118.881 119.294 -0.413 1
1 1020 . 4 1 1 A 85 85 LYS H H 85 7.904 7.916 -0.012 1
1 1021 . 4 1 1 A 85 85 LYS HA H 85 4.178 4.236 -0.058 1
1 1030 . 4 1 1 A 85 85 LYS C C 85 176.549 175.423 1.126 1
1 1031 . 4 1 1 A 85 85 LYS CA C 85 56.514 55.931 0.583 1
1 1032 . 4 1 1 A 85 85 LYS CB C 85 32.931 31.662 1.269 1
1 1036 . 4 1 1 A 85 85 LYS N N 85 120.528 119.199 1.329 1
1 1037 . 4 1 1 A 86 86 LYS H H 86 8.139 8.270 -0.131 1
1 1038 . 4 1 1 A 86 86 LYS HA H 86 4.194 4.454 -0.260 1
1 1047 . 4 1 1 A 86 86 LYS C C 86 176.395 175.292 1.103 1
1 1048 . 4 1 1 A 86 86 LYS CA C 86 56.244 55.278 0.966 1
1 1049 . 4 1 1 A 86 86 LYS CB C 86 32.971 30.994 1.977 1
1 1053 . 4 1 1 A 86 86 LYS N N 86 121.979 128.433 -6.454 1
1 1054 . 4 1 1 A 87 87 ARG H H 87 8.242 7.854 0.388 1
1 1055 . 4 1 1 A 87 87 ARG HA H 87 4.223 4.859 -0.636 1
1 1062 . 4 1 1 A 87 87 ARG C C 87 175.989 173.698 2.291 1
1 1063 . 4 1 1 A 87 87 ARG CA C 87 55.953 55.416 0.537 1
1 1064 . 4 1 1 A 87 87 ARG CB C 87 31.019 34.286 -3.267 1
1 1067 . 4 1 1 A 87 87 ARG N N 87 122.606 125.513 -2.907 1
1 1068 . 4 1 1 A 88 88 LYS H H 88 8.318 8.779 -0.461 1
1 1069 . 4 1 1 A 88 88 LYS HA H 88 4.506 5.044 -0.538 1
1 1074 . 4 1 1 A 88 88 LYS C C 88 174.589 173.675 0.914 1
1 1075 . 4 1 1 A 88 88 LYS CA C 88 54.349 53.742 0.607 1
1 1076 . 4 1 1 A 88 88 LYS CB C 88 32.576 33.358 -0.782 1
1 1077 . 4 1 1 A 88 88 LYS N N 88 124.253 124.574 -0.321 1
1 1078 . 4 1 1 A 89 89 PRO HA H 89 4.327 4.471 -0.144 1
1 1085 . 4 1 1 A 89 89 PRO C C 89 176.044 176.823 -0.779 1
1 1086 . 4 1 1 A 89 89 PRO CA C 89 63.489 62.941 0.548 1
1 1087 . 4 1 1 A 89 89 PRO CB C 89 31.921 31.843 0.078 1
1 1 . 5 1 1 A 4 4 GLY C C 4 174.318 173.606 0.712 1
1 2 . 5 1 1 A 4 4 GLY CA C 4 45.318 46.105 -0.787 1
1 3 . 5 1 1 A 5 5 SER H H 5 8.211 7.971 0.240 1
1 4 . 5 1 1 A 5 5 SER HA H 5 4.460 4.981 -0.521 1
1 7 . 5 1 1 A 5 5 SER C C 5 174.891 172.589 2.302 1
1 8 . 5 1 1 A 5 5 SER CA C 5 58.299 57.777 0.522 1
1 9 . 5 1 1 A 5 5 SER CB C 5 64.052 67.058 -3.006 1
1 10 . 5 1 1 A 5 5 SER N N 5 115.510 114.880 0.630 1
1 11 . 5 1 1 A 6 6 SER H H 6 8.444 8.693 -0.249 1
1 12 . 5 1 1 A 6 6 SER HA H 6 4.428 4.939 -0.511 1
1 15 . 5 1 1 A 6 6 SER C C 6 175.096 173.405 1.691 1
1 16 . 5 1 1 A 6 6 SER CA C 6 58.706 57.872 0.834 1
1 17 . 5 1 1 A 6 6 SER CB C 6 63.920 65.438 -1.518 1
1 18 . 5 1 1 A 6 6 SER N N 6 117.613 117.145 0.468 1
1 19 . 5 1 1 A 7 7 GLY H H 7 8.359 8.534 -0.175 1
1 20 . 5 1 1 A 7 7 GLY HA2 H 7 3.916 3.998 -0.082 1
1 21 . 5 1 1 A 7 7 GLY HA3 H 7 3.916 3.998 -0.082 1
1 22 . 5 1 1 A 7 7 GLY C C 7 174.309 173.510 0.799 1
1 23 . 5 1 1 A 7 7 GLY CA C 7 45.399 45.153 0.246 1
1 24 . 5 1 1 A 7 7 GLY N N 7 110.468 114.121 -3.653 1
1 25 . 5 1 1 A 8 8 GLU H H 8 8.235 7.994 0.241 1
1 26 . 5 1 1 A 8 8 GLU HA H 8 4.248 4.928 -0.680 1
1 31 . 5 1 1 A 8 8 GLU C C 8 176.732 174.899 1.833 1
1 32 . 5 1 1 A 8 8 GLU CA C 8 56.630 54.339 2.291 1
1 33 . 5 1 1 A 8 8 GLU CB C 8 30.243 33.245 -3.002 1
1 35 . 5 1 1 A 8 8 GLU N N 8 120.254 120.125 0.129 1
1 36 . 5 1 1 A 9 9 SER H H 9 8.327 8.419 -0.092 1
1 37 . 5 1 1 A 9 9 SER HA H 9 4.385 4.851 -0.466 1
1 40 . 5 1 1 A 9 9 SER C C 9 174.682 175.325 -0.643 1
1 41 . 5 1 1 A 9 9 SER CA C 9 58.470 55.988 2.482 1
1 42 . 5 1 1 A 9 9 SER CB C 9 63.742 63.027 0.715 1
1 43 . 5 1 1 A 9 9 SER N N 9 116.213 114.980 1.233 1
1 44 . 5 1 1 A 10 10 GLU H H 10 8.428 8.011 0.417 1
1 45 . 5 1 1 A 10 10 GLU HA H 10 4.232 3.859 0.373 1
1 50 . 5 1 1 A 10 10 GLU C C 10 176.769 178.125 -1.356 1
1 51 . 5 1 1 A 10 10 GLU CA C 10 56.887 60.028 -3.141 1
1 52 . 5 1 1 A 10 10 GLU CB C 10 30.267 29.681 0.586 1
1 54 . 5 1 1 A 10 10 GLU N N 10 122.618 121.604 1.014 1
1 55 . 5 1 1 A 11 11 GLU H H 11 8.315 8.211 0.104 1
1 56 . 5 1 1 A 11 11 GLU HA H 11 4.179 4.363 -0.184 1
1 61 . 5 1 1 A 11 11 GLU C C 11 177.182 177.488 -0.306 1
1 62 . 5 1 1 A 11 11 GLU CA C 11 56.896 56.560 0.336 1
1 63 . 5 1 1 A 11 11 GLU CB C 11 30.317 30.286 0.031 1
1 65 . 5 1 1 A 11 11 GLU N N 11 120.909 117.983 2.926 1
1 66 . 5 1 1 A 12 12 GLU H H 12 8.333 8.038 0.295 1
1 67 . 5 1 1 A 12 12 GLU HA H 12 4.100 4.141 -0.041 1
1 72 . 5 1 1 A 12 12 GLU C C 12 176.860 176.552 0.308 1
1 73 . 5 1 1 A 12 12 GLU CA C 12 57.495 58.108 -0.613 1
1 74 . 5 1 1 A 12 12 GLU CB C 12 30.221 29.782 0.439 1
1 76 . 5 1 1 A 12 12 GLU N N 12 121.578 119.192 2.386 1
1 77 . 5 1 1 A 13 13 ASP H H 13 8.332 7.718 0.614 1
1 78 . 5 1 1 A 13 13 ASP HA H 13 4.468 4.840 -0.372 1
1 81 . 5 1 1 A 13 13 ASP C C 13 176.833 175.237 1.596 1
1 82 . 5 1 1 A 13 13 ASP CA C 13 54.921 53.143 1.778 1
1 83 . 5 1 1 A 13 13 ASP CB C 13 40.912 41.214 -0.302 1
1 84 . 5 1 1 A 13 13 ASP N N 13 120.147 119.534 0.613 1
1 85 . 5 1 1 A 14 14 LYS H H 14 8.014 7.640 0.374 1
1 86 . 5 1 1 A 14 14 LYS HA H 14 4.204 4.826 -0.622 1
1 95 . 5 1 1 A 14 14 LYS C C 14 176.568 175.240 1.328 1
1 96 . 5 1 1 A 14 14 LYS CA C 14 56.558 54.786 1.772 1
1 97 . 5 1 1 A 14 14 LYS CB C 14 32.598 36.032 -3.434 1
1 101 . 5 1 1 A 14 14 LYS N N 14 120.485 118.930 1.555 1
1 102 . 5 1 1 A 15 15 CYS H H 15 8.013 9.063 -1.050 1
1 103 . 5 1 1 A 15 15 CYS HA H 15 4.304 5.161 -0.857 1
1 106 . 5 1 1 A 15 15 CYS C C 15 173.801 173.382 0.419 1
1 107 . 5 1 1 A 15 15 CYS CA C 15 58.337 57.665 0.672 1
1 108 . 5 1 1 A 15 15 CYS CB C 15 28.061 30.456 -2.395 1
1 109 . 5 1 1 A 15 15 CYS N N 15 118.099 121.943 -3.844 1
1 110 . 5 1 1 A 16 16 LYS H H 16 8.287 8.409 -0.122 1
1 111 . 5 1 1 A 16 16 LYS HA H 16 4.491 4.771 -0.280 1
1 120 . 5 1 1 A 16 16 LYS C C 16 175.117 174.147 0.970 1
1 121 . 5 1 1 A 16 16 LYS CA C 16 54.512 52.898 1.614 1
1 122 . 5 1 1 A 16 16 LYS CB C 16 32.697 33.874 -1.177 1
1 124 . 5 1 1 A 16 16 LYS N N 16 125.369 120.339 5.030 1
1 125 . 5 1 1 A 17 17 PRO HA H 17 4.247 4.612 -0.365 1
1 132 . 5 1 1 A 17 17 PRO C C 17 176.956 175.520 1.436 1
1 133 . 5 1 1 A 17 17 PRO CA C 17 63.088 62.572 0.516 1
1 134 . 5 1 1 A 17 17 PRO CB C 17 32.244 32.676 -0.432 1
1 137 . 5 1 1 A 18 18 MET H H 18 8.516 8.344 0.172 1
1 138 . 5 1 1 A 18 18 MET HA H 18 4.488 4.950 -0.462 1
1 146 . 5 1 1 A 18 18 MET C C 18 176.759 175.487 1.272 1
1 147 . 5 1 1 A 18 18 MET CA C 18 56.169 54.843 1.326 1
1 148 . 5 1 1 A 18 18 MET CB C 18 35.531 35.690 -0.159 1
1 151 . 5 1 1 A 18 18 MET N N 18 121.801 119.233 2.568 1
1 152 . 5 1 1 A 19 19 SER H H 19 9.100 8.997 0.103 1
1 153 . 5 1 1 A 19 19 SER HA H 19 4.459 4.610 -0.151 1
1 156 . 5 1 1 A 19 19 SER C C 19 175.018 175.302 -0.284 1
1 157 . 5 1 1 A 19 19 SER CA C 19 56.894 58.689 -1.795 1
1 158 . 5 1 1 A 19 19 SER CB C 19 65.854 64.411 1.443 1
1 159 . 5 1 1 A 19 19 SER N N 19 119.212 119.989 -0.777 1
1 160 . 5 1 1 A 20 20 TYR H H 20 8.959 9.357 -0.398 1
1 161 . 5 1 1 A 20 20 TYR HA H 20 4.029 4.131 -0.102 1
1 168 . 5 1 1 A 20 20 TYR C C 20 177.960 177.318 0.642 1
1 169 . 5 1 1 A 20 20 TYR CA C 20 62.463 62.663 -0.200 1
1 170 . 5 1 1 A 20 20 TYR CB C 20 38.009 38.925 -0.916 1
1 175 . 5 1 1 A 20 20 TYR N N 20 121.218 124.368 -3.150 1
1 176 . 5 1 1 A 21 21 GLU H H 21 8.825 8.364 0.461 1
1 177 . 5 1 1 A 21 21 GLU HA H 21 3.811 3.778 0.033 1
1 182 . 5 1 1 A 21 21 GLU C C 21 179.481 179.096 0.385 1
1 183 . 5 1 1 A 21 21 GLU CA C 21 59.951 59.904 0.047 1
1 184 . 5 1 1 A 21 21 GLU CB C 21 28.823 29.258 -0.435 1
1 186 . 5 1 1 A 21 21 GLU N N 21 118.696 118.248 0.448 1
1 187 . 5 1 1 A 22 22 GLU H H 22 7.771 8.157 -0.386 1
1 188 . 5 1 1 A 22 22 GLU HA H 22 3.899 4.061 -0.162 1
1 193 . 5 1 1 A 22 22 GLU C C 22 179.680 179.222 0.458 1
1 194 . 5 1 1 A 22 22 GLU CA C 22 59.498 58.956 0.542 1
1 195 . 5 1 1 A 22 22 GLU CB C 22 30.385 29.535 0.850 1
1 197 . 5 1 1 A 22 22 GLU N N 22 120.141 120.808 -0.667 1
1 198 . 5 1 1 A 23 23 LYS H H 23 8.101 7.641 0.460 1
1 199 . 5 1 1 A 23 23 LYS HA H 23 3.662 3.740 -0.078 1
1 208 . 5 1 1 A 23 23 LYS C C 23 178.250 178.817 -0.567 1
1 209 . 5 1 1 A 23 23 LYS CA C 23 60.345 59.652 0.693 1
1 210 . 5 1 1 A 23 23 LYS CB C 23 32.611 31.968 0.643 1
1 214 . 5 1 1 A 23 23 LYS N N 23 120.594 119.551 1.043 1
1 215 . 5 1 1 A 24 24 ARG H H 24 8.030 7.732 0.298 1
1 216 . 5 1 1 A 24 24 ARG HA H 24 3.721 3.852 -0.131 1
1 223 . 5 1 1 A 24 24 ARG C C 24 178.992 178.563 0.429 1
1 224 . 5 1 1 A 24 24 ARG CA C 24 59.055 59.216 -0.161 1
1 225 . 5 1 1 A 24 24 ARG CB C 24 29.623 29.845 -0.222 1
1 228 . 5 1 1 A 24 24 ARG N N 24 120.100 118.669 1.431 1
1 229 . 5 1 1 A 25 25 GLN H H 25 7.940 8.096 -0.156 1
1 230 . 5 1 1 A 25 25 GLN HA H 25 3.706 3.978 -0.272 1
1 237 . 5 1 1 A 25 25 GLN C C 25 177.078 177.924 -0.846 1
1 238 . 5 1 1 A 25 25 GLN CA C 25 58.104 58.593 -0.489 1
1 239 . 5 1 1 A 25 25 GLN CB C 25 28.294 28.436 -0.142 1
1 241 . 5 1 1 A 25 25 GLN N N 25 118.586 119.649 -1.063 1
1 243 . 5 1 1 A 26 26 LEU H H 26 7.843 7.854 -0.011 1
1 244 . 5 1 1 A 26 26 LEU HA H 26 4.182 3.960 0.222 1
1 254 . 5 1 1 A 26 26 LEU C C 26 178.116 178.452 -0.336 1
1 255 . 5 1 1 A 26 26 LEU CA C 26 57.867 57.797 0.070 1
1 256 . 5 1 1 A 26 26 LEU CB C 26 41.167 41.208 -0.041 1
1 259 . 5 1 1 A 26 26 LEU N N 26 119.570 121.565 -1.995 1
1 260 . 5 1 1 A 27 27 SER H H 27 7.710 7.775 -0.065 1
1 261 . 5 1 1 A 27 27 SER HA H 27 3.869 4.188 -0.319 1
1 264 . 5 1 1 A 27 27 SER C C 27 176.845 177.534 -0.689 1
1 265 . 5 1 1 A 27 27 SER CA C 27 61.478 61.450 0.028 1
1 266 . 5 1 1 A 27 27 SER CB C 27 62.828 62.876 -0.048 1
1 267 . 5 1 1 A 27 27 SER N N 27 112.126 114.658 -2.532 1
1 268 . 5 1 1 A 28 28 LEU H H 28 7.613 7.935 -0.322 1
1 269 . 5 1 1 A 28 28 LEU HA H 28 3.954 3.892 0.062 1
1 279 . 5 1 1 A 28 28 LEU C C 28 180.044 178.376 1.668 1
1 280 . 5 1 1 A 28 28 LEU CA C 28 57.862 58.093 -0.231 1
1 281 . 5 1 1 A 28 28 LEU CB C 28 41.703 41.499 0.204 1
1 285 . 5 1 1 A 28 28 LEU N N 28 120.774 121.798 -1.024 1
1 286 . 5 1 1 A 29 29 ASP H H 29 8.476 7.872 0.604 1
1 287 . 5 1 1 A 29 29 ASP HA H 29 4.236 4.436 -0.200 1
1 290 . 5 1 1 A 29 29 ASP C C 29 179.532 179.005 0.527 1
1 291 . 5 1 1 A 29 29 ASP CA C 29 57.618 57.212 0.406 1
1 292 . 5 1 1 A 29 29 ASP CB C 29 40.447 40.393 0.054 1
1 293 . 5 1 1 A 29 29 ASP N N 29 120.971 118.162 2.809 1
1 294 . 5 1 1 A 30 30 ILE H H 30 8.558 8.039 0.519 1
1 295 . 5 1 1 A 30 30 ILE HA H 30 3.564 3.711 -0.147 1
1 305 . 5 1 1 A 30 30 ILE C C 30 178.098 178.195 -0.097 1
1 306 . 5 1 1 A 30 30 ILE CA C 30 65.616 64.939 0.677 1
1 307 . 5 1 1 A 30 30 ILE CB C 30 37.697 37.600 0.097 1
1 311 . 5 1 1 A 30 30 ILE N N 30 120.240 121.190 -0.950 1
1 312 . 5 1 1 A 31 31 ASN H H 31 7.350 8.271 -0.921 1
1 313 . 5 1 1 A 31 31 ASN HA H 31 4.560 4.565 -0.005 1
1 318 . 5 1 1 A 31 31 ASN C C 31 175.952 177.133 -1.181 1
1 319 . 5 1 1 A 31 31 ASN CA C 31 54.997 56.382 -1.385 1
1 320 . 5 1 1 A 31 31 ASN CB C 31 38.769 38.267 0.502 1
1 321 . 5 1 1 A 31 31 ASN N N 31 115.285 118.328 -3.043 1
1 323 . 5 1 1 A 32 32 LYS H H 32 7.509 7.759 -0.250 1
1 324 . 5 1 1 A 32 32 LYS HA H 32 4.286 4.326 -0.040 1
1 333 . 5 1 1 A 32 32 LYS C C 32 177.232 176.653 0.579 1
1 334 . 5 1 1 A 32 32 LYS CA C 32 56.330 56.914 -0.584 1
1 335 . 5 1 1 A 32 32 LYS CB C 32 33.570 32.759 0.811 1
1 339 . 5 1 1 A 32 32 LYS N N 32 117.496 117.190 0.306 1
1 340 . 5 1 1 A 33 33 LEU H H 33 7.455 7.442 0.013 1
1 341 . 5 1 1 A 33 33 LEU HA H 33 4.265 4.478 -0.213 1
1 351 . 5 1 1 A 33 33 LEU CA C 33 53.436 52.501 0.935 1
1 352 . 5 1 1 A 33 33 LEU CB C 33 41.464 41.759 -0.295 1
1 356 . 5 1 1 A 33 33 LEU N N 33 120.501 121.200 -0.699 1
1 357 . 5 1 1 A 34 34 PRO HA H 34 4.561 4.639 -0.078 1
1 364 . 5 1 1 A 34 34 PRO C C 34 178.359 177.579 0.780 1
1 365 . 5 1 1 A 34 34 PRO CA C 34 62.251 62.391 -0.140 1
1 366 . 5 1 1 A 34 34 PRO CB C 34 32.489 32.563 -0.074 1
1 369 . 5 1 1 A 35 35 GLY H H 35 8.865 8.657 0.208 1
1 370 . 5 1 1 A 35 35 GLY HA2 H 35 3.709 3.824 -0.115 1
1 371 . 5 1 1 A 35 35 GLY HA3 H 35 4.005 3.830 0.175 1
1 372 . 5 1 1 A 35 35 GLY C C 35 176.845 175.819 1.026 1
1 373 . 5 1 1 A 35 35 GLY CA C 35 48.165 47.267 0.898 1
1 374 . 5 1 1 A 35 35 GLY N N 35 109.986 109.358 0.628 1
1 375 . 5 1 1 A 36 36 GLU H H 36 9.360 9.051 0.309 1
1 376 . 5 1 1 A 36 36 GLU HA H 36 4.233 4.117 0.116 1
1 381 . 5 1 1 A 36 36 GLU C C 36 178.326 177.441 0.885 1
1 382 . 5 1 1 A 36 36 GLU CA C 36 58.964 58.611 0.353 1
1 383 . 5 1 1 A 36 36 GLU CB C 36 28.689 28.325 0.364 1
1 385 . 5 1 1 A 36 36 GLU N N 36 119.485 120.704 -1.219 1
1 386 . 5 1 1 A 37 37 LYS H H 37 7.734 8.034 -0.300 1
1 387 . 5 1 1 A 37 37 LYS HA H 37 4.516 4.487 0.029 1
1 396 . 5 1 1 A 37 37 LYS C C 37 178.698 177.828 0.870 1
1 397 . 5 1 1 A 37 37 LYS CA C 37 55.977 56.033 -0.056 1
1 398 . 5 1 1 A 37 37 LYS CB C 37 32.981 33.579 -0.598 1
1 402 . 5 1 1 A 37 37 LYS N N 37 116.668 119.221 -2.553 1
1 403 . 5 1 1 A 38 38 LEU H H 38 7.882 7.979 -0.097 1
1 404 . 5 1 1 A 38 38 LEU HA H 38 4.103 4.002 0.101 1
1 414 . 5 1 1 A 38 38 LEU C C 38 179.042 178.500 0.542 1
1 415 . 5 1 1 A 38 38 LEU CA C 38 57.832 57.908 -0.076 1
1 416 . 5 1 1 A 38 38 LEU CB C 38 41.753 41.789 -0.036 1
1 420 . 5 1 1 A 38 38 LEU N N 38 121.898 122.058 -0.160 1
1 421 . 5 1 1 A 39 39 GLY H H 39 8.212 7.728 0.484 1
1 422 . 5 1 1 A 39 39 GLY HA2 H 39 3.720 3.830 -0.110 1
1 423 . 5 1 1 A 39 39 GLY HA3 H 39 3.853 3.847 0.006 1
1 424 . 5 1 1 A 39 39 GLY C C 39 176.507 175.614 0.893 1
1 425 . 5 1 1 A 39 39 GLY CA C 39 47.218 46.961 0.257 1
1 426 . 5 1 1 A 39 39 GLY N N 39 106.042 106.554 -0.512 1
1 427 . 5 1 1 A 40 40 ARG H H 40 7.416 7.981 -0.565 1
1 428 . 5 1 1 A 40 40 ARG HA H 40 4.031 4.106 -0.075 1
1 435 . 5 1 1 A 40 40 ARG C C 40 177.974 178.539 -0.565 1
1 436 . 5 1 1 A 40 40 ARG CA C 40 57.460 58.608 -1.148 1
1 437 . 5 1 1 A 40 40 ARG CB C 40 29.051 29.586 -0.535 1
1 440 . 5 1 1 A 40 40 ARG N N 40 120.046 121.997 -1.951 1
1 441 . 5 1 1 A 41 41 VAL H H 41 7.417 7.786 -0.369 1
1 442 . 5 1 1 A 41 41 VAL HA H 41 3.285 3.461 -0.176 1
1 450 . 5 1 1 A 41 41 VAL C C 41 177.090 177.956 -0.866 1
1 451 . 5 1 1 A 41 41 VAL CA C 41 66.979 66.423 0.556 1
1 452 . 5 1 1 A 41 41 VAL CB C 41 31.059 31.598 -0.539 1
1 455 . 5 1 1 A 41 41 VAL N N 41 119.285 119.863 -0.578 1
1 456 . 5 1 1 A 42 42 VAL H H 42 7.493 7.541 -0.048 1
1 457 . 5 1 1 A 42 42 VAL HA H 42 3.395 3.647 -0.252 1
1 465 . 5 1 1 A 42 42 VAL C C 42 177.200 178.461 -1.261 1
1 466 . 5 1 1 A 42 42 VAL CA C 42 66.764 66.345 0.419 1
1 467 . 5 1 1 A 42 42 VAL CB C 42 31.296 31.354 -0.058 1
1 470 . 5 1 1 A 42 42 VAL N N 42 116.606 119.594 -2.988 1
1 471 . 5 1 1 A 43 43 HIS H H 43 7.602 7.580 0.022 1
1 472 . 5 1 1 A 43 43 HIS HA H 43 4.264 4.242 0.022 1
1 477 . 5 1 1 A 43 43 HIS C C 43 178.854 177.866 0.988 1
1 478 . 5 1 1 A 43 43 HIS CA C 43 59.824 59.481 0.343 1
1 479 . 5 1 1 A 43 43 HIS CB C 43 30.605 29.660 0.945 1
1 482 . 5 1 1 A 43 43 HIS N N 43 118.867 117.936 0.931 1
1 483 . 5 1 1 A 44 44 ILE H H 44 8.344 7.987 0.357 1
1 484 . 5 1 1 A 44 44 ILE HA H 44 3.375 3.614 -0.239 1
1 494 . 5 1 1 A 44 44 ILE C C 44 178.054 178.078 -0.024 1
1 495 . 5 1 1 A 44 44 ILE CA C 44 65.922 64.493 1.429 1
1 496 . 5 1 1 A 44 44 ILE CB C 44 37.950 37.709 0.241 1
1 500 . 5 1 1 A 44 44 ILE N N 44 121.530 119.934 1.596 1
1 501 . 5 1 1 A 45 45 ILE H H 45 7.604 8.206 -0.602 1
1 502 . 5 1 1 A 45 45 ILE HA H 45 3.311 3.553 -0.242 1
1 512 . 5 1 1 A 45 45 ILE C C 45 177.378 177.795 -0.417 1
1 513 . 5 1 1 A 45 45 ILE CA C 45 66.577 65.263 1.314 1
1 514 . 5 1 1 A 45 45 ILE CB C 45 38.168 37.535 0.633 1
1 518 . 5 1 1 A 45 45 ILE N N 45 117.572 120.695 -3.123 1
1 519 . 5 1 1 A 46 46 GLN H H 46 8.626 8.428 0.198 1
1 520 . 5 1 1 A 46 46 GLN HA H 46 3.719 4.008 -0.289 1
1 527 . 5 1 1 A 46 46 GLN C C 46 177.483 178.185 -0.702 1
1 528 . 5 1 1 A 46 46 GLN CA C 46 59.443 58.811 0.632 1
1 529 . 5 1 1 A 46 46 GLN CB C 46 28.832 28.275 0.557 1
1 531 . 5 1 1 A 46 46 GLN N N 46 115.916 118.676 -2.760 1
1 533 . 5 1 1 A 47 47 SER H H 47 7.862 7.792 0.070 1
1 534 . 5 1 1 A 47 47 SER HA H 47 4.064 4.165 -0.101 1
1 537 . 5 1 1 A 47 47 SER C C 47 175.615 175.752 -0.137 1
1 538 . 5 1 1 A 47 47 SER CA C 47 60.602 61.168 -0.566 1
1 539 . 5 1 1 A 47 47 SER CB C 47 63.313 63.111 0.202 1
1 540 . 5 1 1 A 47 47 SER N N 47 110.902 115.693 -4.791 1
1 541 . 5 1 1 A 48 48 ARG H H 48 7.362 7.855 -0.493 1
1 542 . 5 1 1 A 48 48 ARG HA H 48 4.306 4.390 -0.084 1
1 549 . 5 1 1 A 48 48 ARG C C 48 176.365 176.503 -0.138 1
1 550 . 5 1 1 A 48 48 ARG CA C 48 55.992 57.387 -1.395 1
1 551 . 5 1 1 A 48 48 ARG CB C 48 33.000 31.257 1.743 1
1 554 . 5 1 1 A 48 48 ARG N N 48 118.403 118.421 -0.018 1
1 555 . 5 1 1 A 49 49 GLU H H 49 7.714 7.897 -0.183 1
1 556 . 5 1 1 A 49 49 GLU HA H 49 4.806 4.754 0.052 1
1 561 . 5 1 1 A 49 49 GLU C C 49 174.213 174.723 -0.510 1
1 562 . 5 1 1 A 49 49 GLU CA C 49 52.903 53.691 -0.788 1
1 563 . 5 1 1 A 49 49 GLU CB C 49 28.835 29.807 -0.972 1
1 565 . 5 1 1 A 49 49 GLU N N 49 118.387 119.726 -1.339 1
1 566 . 5 1 1 A 50 50 PRO HA H 50 4.273 4.301 -0.028 1
1 573 . 5 1 1 A 50 50 PRO C C 50 178.412 177.585 0.827 1
1 574 . 5 1 1 A 50 50 PRO CA C 50 64.641 64.859 -0.218 1
1 575 . 5 1 1 A 50 50 PRO CB C 50 32.045 32.125 -0.080 1
1 578 . 5 1 1 A 51 51 SER H H 51 8.290 8.267 0.023 1
1 579 . 5 1 1 A 51 51 SER HA H 51 4.271 4.359 -0.088 1
1 582 . 5 1 1 A 51 51 SER C C 51 175.130 175.124 0.006 1
1 583 . 5 1 1 A 51 51 SER CA C 51 59.824 60.050 -0.226 1
1 584 . 5 1 1 A 51 51 SER CB C 51 63.071 63.120 -0.049 1
1 585 . 5 1 1 A 51 51 SER N N 51 112.214 112.235 -0.021 1
1 586 . 5 1 1 A 52 52 LEU H H 52 7.882 7.641 0.241 1
1 587 . 5 1 1 A 52 52 LEU HA H 52 4.479 4.395 0.084 1
1 597 . 5 1 1 A 52 52 LEU C C 52 177.843 177.608 0.235 1
1 598 . 5 1 1 A 52 52 LEU CA C 52 54.734 54.635 0.099 1
1 599 . 5 1 1 A 52 52 LEU CB C 52 42.500 42.214 0.286 1
1 603 . 5 1 1 A 52 52 LEU N N 52 121.800 118.891 2.909 1
1 604 . 5 1 1 A 53 53 LYS H H 53 7.638 7.773 -0.135 1
1 605 . 5 1 1 A 53 53 LYS HA H 53 4.022 3.942 0.080 1
1 614 . 5 1 1 A 53 53 LYS C C 53 176.270 177.852 -1.582 1
1 615 . 5 1 1 A 53 53 LYS CA C 53 58.288 59.275 -0.987 1
1 616 . 5 1 1 A 53 53 LYS CB C 53 32.924 32.250 0.674 1
1 620 . 5 1 1 A 53 53 LYS N N 53 121.559 121.477 0.082 1
1 621 . 5 1 1 A 54 54 ASN H H 54 8.266 7.511 0.755 1
1 622 . 5 1 1 A 54 54 ASN HA H 54 4.732 4.818 -0.086 1
1 627 . 5 1 1 A 54 54 ASN C C 54 175.097 175.351 -0.254 1
1 628 . 5 1 1 A 54 54 ASN CA C 54 53.020 53.269 -0.249 1
1 629 . 5 1 1 A 54 54 ASN CB C 54 38.863 39.216 -0.353 1
1 630 . 5 1 1 A 54 54 ASN N N 54 116.053 115.284 0.769 1
1 632 . 5 1 1 A 55 55 SER H H 55 7.692 7.485 0.207 1
1 633 . 5 1 1 A 55 55 SER HA H 55 4.288 4.650 -0.362 1
1 636 . 5 1 1 A 55 55 SER C C 55 173.418 173.533 -0.115 1
1 637 . 5 1 1 A 55 55 SER CA C 55 58.900 57.641 1.259 1
1 638 . 5 1 1 A 55 55 SER CB C 55 63.914 65.075 -1.161 1
1 639 . 5 1 1 A 55 55 SER N N 55 115.901 116.856 -0.955 1
1 640 . 5 1 1 A 56 56 ASN H H 56 8.574 8.431 0.143 1
1 641 . 5 1 1 A 56 56 ASN HA H 56 4.857 4.830 0.027 1
1 646 . 5 1 1 A 56 56 ASN C C 56 174.843 175.597 -0.754 1
1 647 . 5 1 1 A 56 56 ASN CA C 56 50.974 51.139 -0.165 1
1 648 . 5 1 1 A 56 56 ASN CB C 56 38.744 39.644 -0.900 1
1 649 . 5 1 1 A 56 56 ASN N N 56 122.245 122.057 0.188 1
1 651 . 5 1 1 A 57 57 PRO HA H 57 4.079 4.230 -0.151 1
1 658 . 5 1 1 A 57 57 PRO C C 57 176.856 177.942 -1.086 1
1 659 . 5 1 1 A 57 57 PRO CA C 57 64.733 65.055 -0.322 1
1 660 . 5 1 1 A 57 57 PRO CB C 57 31.968 31.833 0.135 1
1 663 . 5 1 1 A 58 58 ASP H H 58 8.024 8.480 -0.456 1
1 664 . 5 1 1 A 58 58 ASP HA H 58 4.445 4.459 -0.014 1
1 667 . 5 1 1 A 58 58 ASP C C 58 176.369 177.094 -0.725 1
1 668 . 5 1 1 A 58 58 ASP CA C 58 55.247 55.804 -0.557 1
1 669 . 5 1 1 A 58 58 ASP CB C 58 40.828 40.221 0.607 1
1 670 . 5 1 1 A 58 58 ASP N N 58 114.883 116.376 -1.493 1
1 671 . 5 1 1 A 59 59 GLU H H 59 7.663 7.533 0.130 1
1 672 . 5 1 1 A 59 59 GLU HA H 59 4.341 4.393 -0.052 1
1 677 . 5 1 1 A 59 59 GLU C C 59 175.690 176.606 -0.916 1
1 678 . 5 1 1 A 59 59 GLU CA C 59 55.425 56.282 -0.857 1
1 679 . 5 1 1 A 59 59 GLU CB C 59 31.140 30.832 0.308 1
1 681 . 5 1 1 A 59 59 GLU N N 59 117.763 117.400 0.363 1
1 682 . 5 1 1 A 60 60 ILE H H 60 7.457 6.961 0.496 1
1 683 . 5 1 1 A 60 60 ILE HA H 60 3.962 4.074 -0.112 1
1 693 . 5 1 1 A 60 60 ILE C C 60 174.951 175.498 -0.547 1
1 694 . 5 1 1 A 60 60 ILE CA C 60 61.416 61.137 0.279 1
1 695 . 5 1 1 A 60 60 ILE CB C 60 38.693 37.362 1.331 1
1 699 . 5 1 1 A 60 60 ILE N N 60 120.600 121.958 -1.358 1
1 700 . 5 1 1 A 61 61 GLU H H 61 8.267 8.156 0.111 1
1 701 . 5 1 1 A 61 61 GLU HA H 61 4.333 4.193 0.140 1
1 706 . 5 1 1 A 61 61 GLU C C 61 175.576 176.140 -0.564 1
1 707 . 5 1 1 A 61 61 GLU CA C 61 55.085 56.734 -1.649 1
1 708 . 5 1 1 A 61 61 GLU CB C 61 30.717 29.697 1.020 1
1 710 . 5 1 1 A 61 61 GLU N N 61 126.935 127.492 -0.557 1
1 711 . 5 1 1 A 62 62 ILE H H 62 8.425 8.849 -0.424 1
1 712 . 5 1 1 A 62 62 ILE HA H 62 3.570 4.312 -0.742 1
1 722 . 5 1 1 A 62 62 ILE C C 62 174.594 174.129 0.465 1
1 723 . 5 1 1 A 62 62 ILE CA C 62 61.570 60.614 0.956 1
1 724 . 5 1 1 A 62 62 ILE CB C 62 38.187 36.921 1.266 1
1 728 . 5 1 1 A 62 62 ILE N N 62 124.857 126.241 -1.384 1
1 729 . 5 1 1 A 63 63 ASP H H 63 8.459 8.561 -0.102 1
1 730 . 5 1 1 A 63 63 ASP HA H 63 4.691 4.931 -0.240 1
1 733 . 5 1 1 A 63 63 ASP C C 63 177.284 175.801 1.483 1
1 734 . 5 1 1 A 63 63 ASP CA C 63 52.272 52.465 -0.193 1
1 735 . 5 1 1 A 63 63 ASP CB C 63 41.160 43.866 -2.706 1
1 736 . 5 1 1 A 63 63 ASP N N 63 126.597 129.249 -2.652 1
1 737 . 5 1 1 A 64 64 PHE H H 64 8.609 8.721 -0.112 1
1 738 . 5 1 1 A 64 64 PHE HA H 64 4.016 4.495 -0.479 1
1 746 . 5 1 1 A 64 64 PHE C C 64 177.010 176.601 0.409 1
1 747 . 5 1 1 A 64 64 PHE CA C 64 59.795 59.056 0.739 1
1 748 . 5 1 1 A 64 64 PHE CB C 64 38.084 38.904 -0.820 1
1 754 . 5 1 1 A 64 64 PHE N N 64 123.270 124.577 -1.307 1
1 755 . 5 1 1 A 65 65 GLU H H 65 8.317 8.131 0.186 1
1 756 . 5 1 1 A 65 65 GLU HA H 65 4.171 4.461 -0.290 1
1 761 . 5 1 1 A 65 65 GLU C C 65 177.913 178.061 -0.148 1
1 762 . 5 1 1 A 65 65 GLU CA C 65 57.524 57.735 -0.211 1
1 763 . 5 1 1 A 65 65 GLU CB C 65 29.440 30.070 -0.630 1
1 765 . 5 1 1 A 65 65 GLU N N 65 114.355 119.908 -5.553 1
1 766 . 5 1 1 A 66 66 THR H H 66 7.388 7.682 -0.294 1
1 767 . 5 1 1 A 66 66 THR HA H 66 4.396 4.319 0.077 1
1 772 . 5 1 1 A 66 66 THR C C 66 174.662 175.036 -0.374 1
1 773 . 5 1 1 A 66 66 THR CA C 66 61.316 63.315 -1.999 1
1 774 . 5 1 1 A 66 66 THR CB C 66 69.711 69.315 0.396 1
1 776 . 5 1 1 A 66 66 THR N N 66 106.424 108.902 -2.478 1
1 777 . 5 1 1 A 67 67 LEU H H 67 6.677 7.439 -0.762 1
1 778 . 5 1 1 A 67 67 LEU HA H 67 4.350 4.295 0.055 1
1 788 . 5 1 1 A 67 67 LEU C C 67 176.647 177.267 -0.620 1
1 789 . 5 1 1 A 67 67 LEU CA C 67 54.104 54.604 -0.500 1
1 790 . 5 1 1 A 67 67 LEU CB C 67 43.365 42.409 0.956 1
1 794 . 5 1 1 A 67 67 LEU N N 67 120.589 123.528 -2.939 1
1 795 . 5 1 1 A 68 68 LYS H H 68 9.947 8.865 1.082 1
1 796 . 5 1 1 A 68 68 LYS HA H 68 4.387 4.558 -0.171 1
1 805 . 5 1 1 A 68 68 LYS C C 68 176.786 176.780 0.006 1
1 806 . 5 1 1 A 68 68 LYS CA C 68 55.574 54.255 1.319 1
1 807 . 5 1 1 A 68 68 LYS CB C 68 31.897 32.053 -0.156 1
1 811 . 5 1 1 A 68 68 LYS N N 68 123.363 121.549 1.814 1
1 812 . 5 1 1 A 69 69 PRO HA H 69 4.091 4.313 -0.222 1
1 819 . 5 1 1 A 69 69 PRO C C 69 178.646 177.763 0.883 1
1 820 . 5 1 1 A 69 69 PRO CA C 69 66.153 65.055 1.098 1
1 821 . 5 1 1 A 69 69 PRO CB C 69 31.985 31.976 0.009 1
1 824 . 5 1 1 A 70 70 SER H H 70 8.490 8.223 0.267 1
1 825 . 5 1 1 A 70 70 SER HA H 70 4.231 4.341 -0.110 1
1 828 . 5 1 1 A 70 70 SER C C 70 177.784 177.281 0.503 1
1 829 . 5 1 1 A 70 70 SER CA C 70 60.787 60.358 0.429 1
1 830 . 5 1 1 A 70 70 SER CB C 70 61.797 63.288 -1.491 1
1 831 . 5 1 1 A 70 70 SER N N 70 109.802 112.356 -2.554 1
1 832 . 5 1 1 A 71 71 THR H H 71 7.340 7.871 -0.531 1
1 833 . 5 1 1 A 71 71 THR HA H 71 3.735 3.928 -0.193 1
1 838 . 5 1 1 A 71 71 THR C C 71 176.072 176.548 -0.476 1
1 839 . 5 1 1 A 71 71 THR CA C 71 65.913 66.896 -0.983 1
1 840 . 5 1 1 A 71 71 THR CB C 71 67.239 67.929 -0.690 1
1 842 . 5 1 1 A 71 71 THR N N 71 122.295 117.403 4.892 1
1 843 . 5 1 1 A 72 72 LEU H H 72 7.839 8.072 -0.233 1
1 844 . 5 1 1 A 72 72 LEU HA H 72 3.713 3.941 -0.228 1
1 854 . 5 1 1 A 72 72 LEU C C 72 178.998 179.506 -0.508 1
1 855 . 5 1 1 A 72 72 LEU CA C 72 58.622 58.042 0.580 1
1 856 . 5 1 1 A 72 72 LEU CB C 72 40.911 41.370 -0.459 1
1 859 . 5 1 1 A 72 72 LEU N N 72 120.539 121.024 -0.485 1
1 860 . 5 1 1 A 73 73 ARG H H 73 8.244 7.958 0.286 1
1 861 . 5 1 1 A 73 73 ARG HA H 73 4.100 3.872 0.228 1
1 869 . 5 1 1 A 73 73 ARG C C 73 178.935 178.730 0.205 1
1 870 . 5 1 1 A 73 73 ARG CA C 73 57.649 59.483 -1.834 1
1 871 . 5 1 1 A 73 73 ARG CB C 73 28.923 29.878 -0.955 1
1 874 . 5 1 1 A 73 73 ARG N N 73 115.473 120.108 -4.635 1
1 876 . 5 1 1 A 74 74 GLU H H 74 7.758 7.803 -0.045 1
1 877 . 5 1 1 A 74 74 GLU HA H 74 4.139 4.104 0.035 1
1 882 . 5 1 1 A 74 74 GLU C C 74 179.640 179.591 0.049 1
1 883 . 5 1 1 A 74 74 GLU CA C 74 59.519 59.298 0.221 1
1 884 . 5 1 1 A 74 74 GLU CB C 74 28.670 29.042 -0.372 1
1 886 . 5 1 1 A 74 74 GLU N N 74 122.400 119.736 2.664 1
1 887 . 5 1 1 A 75 75 LEU H H 75 8.387 8.018 0.369 1
1 888 . 5 1 1 A 75 75 LEU HA H 75 4.070 4.071 -0.001 1
1 898 . 5 1 1 A 75 75 LEU C C 75 178.024 178.820 -0.796 1
1 899 . 5 1 1 A 75 75 LEU CA C 75 58.147 58.068 0.079 1
1 900 . 5 1 1 A 75 75 LEU CB C 75 42.673 41.264 1.409 1
1 904 . 5 1 1 A 75 75 LEU N N 75 119.699 120.269 -0.570 1
1 905 . 5 1 1 A 76 76 GLU H H 76 8.537 8.509 0.028 1
1 906 . 5 1 1 A 76 76 GLU HA H 76 3.751 3.872 -0.121 1
1 911 . 5 1 1 A 76 76 GLU C C 76 178.799 178.646 0.153 1
1 912 . 5 1 1 A 76 76 GLU CA C 76 59.871 60.099 -0.228 1
1 913 . 5 1 1 A 76 76 GLU CB C 76 30.145 29.595 0.550 1
1 915 . 5 1 1 A 76 76 GLU N N 76 120.074 119.822 0.252 1
1 916 . 5 1 1 A 77 77 ARG H H 77 8.032 7.538 0.494 1
1 917 . 5 1 1 A 77 77 ARG HA H 77 3.934 3.949 -0.015 1
1 924 . 5 1 1 A 77 77 ARG C C 77 179.220 178.045 1.175 1
1 925 . 5 1 1 A 77 77 ARG CA C 77 59.974 59.042 0.932 1
1 926 . 5 1 1 A 77 77 ARG CB C 77 30.413 29.837 0.576 1
1 929 . 5 1 1 A 77 77 ARG N N 77 120.100 119.576 0.524 1
1 930 . 5 1 1 A 78 78 TYR H H 78 8.084 7.463 0.621 1
1 931 . 5 1 1 A 78 78 TYR HA H 78 4.260 4.251 0.009 1
1 938 . 5 1 1 A 78 78 TYR C C 78 178.620 177.324 1.296 1
1 939 . 5 1 1 A 78 78 TYR CA C 78 61.507 61.261 0.246 1
1 940 . 5 1 1 A 78 78 TYR CB C 78 38.440 38.565 -0.125 1
1 945 . 5 1 1 A 78 78 TYR N N 78 120.327 120.571 -0.244 1
1 946 . 5 1 1 A 79 79 VAL H H 79 9.136 7.803 1.333 1
1 947 . 5 1 1 A 79 79 VAL HA H 79 3.161 3.739 -0.578 1
1 955 . 5 1 1 A 79 79 VAL C C 79 178.067 178.398 -0.331 1
1 956 . 5 1 1 A 79 79 VAL CA C 79 67.306 65.638 1.668 1
1 957 . 5 1 1 A 79 79 VAL CB C 79 31.505 31.543 -0.038 1
1 960 . 5 1 1 A 79 79 VAL N N 79 120.576 119.024 1.552 1
1 961 . 5 1 1 A 80 80 THR H H 80 8.297 8.272 0.025 1
1 962 . 5 1 1 A 80 80 THR HA H 80 3.721 4.069 -0.348 1
1 967 . 5 1 1 A 80 80 THR C C 80 176.623 175.479 1.144 1
1 968 . 5 1 1 A 80 80 THR CA C 80 66.823 65.226 1.597 1
1 969 . 5 1 1 A 80 80 THR CB C 80 68.508 68.450 0.058 1
1 971 . 5 1 1 A 80 80 THR N N 80 115.107 117.080 -1.973 1
1 972 . 5 1 1 A 81 81 SER H H 81 7.537 7.730 -0.193 1
1 973 . 5 1 1 A 81 81 SER HA H 81 4.165 4.346 -0.181 1
1 976 . 5 1 1 A 81 81 SER C C 81 176.196 175.663 0.533 1
1 977 . 5 1 1 A 81 81 SER CA C 81 61.371 61.280 0.091 1
1 978 . 5 1 1 A 81 81 SER CB C 81 62.826 63.692 -0.866 1
1 979 . 5 1 1 A 81 81 SER N N 81 116.178 117.103 -0.925 1
1 980 . 5 1 1 A 82 82 CYS H H 82 7.523 8.054 -0.531 1
1 981 . 5 1 1 A 82 82 CYS HA H 82 4.084 4.193 -0.109 1
1 984 . 5 1 1 A 82 82 CYS C C 82 176.363 177.202 -0.839 1
1 985 . 5 1 1 A 82 82 CYS CA C 82 62.173 63.183 -1.010 1
1 986 . 5 1 1 A 82 82 CYS CB C 82 27.872 27.298 0.574 1
1 987 . 5 1 1 A 82 82 CYS N N 82 118.207 119.207 -1.000 1
1 988 . 5 1 1 A 83 83 LEU H H 83 7.652 7.696 -0.044 1
1 989 . 5 1 1 A 83 83 LEU HA H 83 4.216 3.933 0.283 1
1 999 . 5 1 1 A 83 83 LEU C C 83 177.349 177.669 -0.320 1
1 1000 . 5 1 1 A 83 83 LEU CA C 83 55.521 57.839 -2.318 1
1 1001 . 5 1 1 A 83 83 LEU CB C 83 42.550 41.625 0.925 1
1 1005 . 5 1 1 A 83 83 LEU N N 83 118.141 120.222 -2.081 1
1 1006 . 5 1 1 A 84 84 ARG H H 84 7.754 7.826 -0.072 1
1 1007 . 5 1 1 A 84 84 ARG HA H 84 4.153 4.406 -0.253 1
1 1014 . 5 1 1 A 84 84 ARG C C 84 176.300 176.011 0.289 1
1 1015 . 5 1 1 A 84 84 ARG CA C 84 56.829 55.903 0.926 1
1 1016 . 5 1 1 A 84 84 ARG CB C 84 29.926 31.270 -1.344 1
1 1019 . 5 1 1 A 84 84 ARG N N 84 118.881 117.661 1.220 1
1 1020 . 5 1 1 A 85 85 LYS H H 85 7.904 8.461 -0.557 1
1 1021 . 5 1 1 A 85 85 LYS HA H 85 4.178 4.579 -0.401 1
1 1030 . 5 1 1 A 85 85 LYS C C 85 176.549 175.373 1.176 1
1 1031 . 5 1 1 A 85 85 LYS CA C 85 56.514 54.749 1.765 1
1 1032 . 5 1 1 A 85 85 LYS CB C 85 32.931 32.498 0.433 1
1 1036 . 5 1 1 A 85 85 LYS N N 85 120.528 122.714 -2.186 1
1 1037 . 5 1 1 A 86 86 LYS H H 86 8.139 8.631 -0.492 1
1 1038 . 5 1 1 A 86 86 LYS HA H 86 4.194 4.512 -0.318 1
1 1047 . 5 1 1 A 86 86 LYS C C 86 176.395 176.223 0.172 1
1 1048 . 5 1 1 A 86 86 LYS CA C 86 56.244 55.668 0.576 1
1 1049 . 5 1 1 A 86 86 LYS CB C 86 32.971 33.892 -0.921 1
1 1053 . 5 1 1 A 86 86 LYS N N 86 121.979 125.987 -4.008 1
1 1054 . 5 1 1 A 87 87 ARG H H 87 8.242 8.493 -0.251 1
1 1055 . 5 1 1 A 87 87 ARG HA H 87 4.223 4.679 -0.456 1
1 1062 . 5 1 1 A 87 87 ARG C C 87 175.989 174.800 1.189 1
1 1063 . 5 1 1 A 87 87 ARG CA C 87 55.953 54.964 0.989 1
1 1064 . 5 1 1 A 87 87 ARG CB C 87 31.019 30.817 0.202 1
1 1067 . 5 1 1 A 87 87 ARG N N 87 122.606 122.565 0.041 1
1 1068 . 5 1 1 A 88 88 LYS H H 88 8.318 7.696 0.622 1
1 1069 . 5 1 1 A 88 88 LYS HA H 88 4.506 4.959 -0.453 1
1 1074 . 5 1 1 A 88 88 LYS C C 88 174.589 174.964 -0.375 1
1 1075 . 5 1 1 A 88 88 LYS CA C 88 54.349 52.765 1.584 1
1 1076 . 5 1 1 A 88 88 LYS CB C 88 32.576 33.799 -1.223 1
1 1077 . 5 1 1 A 88 88 LYS N N 88 124.253 124.779 -0.526 1
1 1078 . 5 1 1 A 89 89 PRO HA H 89 4.327 4.792 -0.465 1
1 1085 . 5 1 1 A 89 89 PRO C C 89 176.044 175.744 0.300 1
1 1086 . 5 1 1 A 89 89 PRO CA C 89 63.489 62.689 0.800 1
1 1087 . 5 1 1 A 89 89 PRO CB C 89 31.921 33.530 -1.609 1
1 1 . 6 1 1 A 4 4 GLY C C 4 174.318 175.355 -1.037 1
1 2 . 6 1 1 A 4 4 GLY CA C 4 45.318 43.738 1.580 1
1 3 . 6 1 1 A 5 5 SER H H 5 8.211 8.767 -0.556 1
1 4 . 6 1 1 A 5 5 SER HA H 5 4.460 4.233 0.227 1
1 7 . 6 1 1 A 5 5 SER C C 5 174.891 174.153 0.738 1
1 8 . 6 1 1 A 5 5 SER CA C 5 58.299 61.018 -2.719 1
1 9 . 6 1 1 A 5 5 SER CB C 5 64.052 63.560 0.492 1
1 10 . 6 1 1 A 5 5 SER N N 5 115.510 115.652 -0.142 1
1 11 . 6 1 1 A 6 6 SER H H 6 8.444 7.778 0.666 1
1 12 . 6 1 1 A 6 6 SER HA H 6 4.428 4.828 -0.400 1
1 15 . 6 1 1 A 6 6 SER C C 6 175.096 172.865 2.231 1
1 16 . 6 1 1 A 6 6 SER CA C 6 58.706 57.386 1.320 1
1 17 . 6 1 1 A 6 6 SER CB C 6 63.920 65.632 -1.712 1
1 18 . 6 1 1 A 6 6 SER N N 6 117.613 111.618 5.995 1
1 19 . 6 1 1 A 7 7 GLY H H 7 8.359 8.292 0.067 1
1 20 . 6 1 1 A 7 7 GLY HA2 H 7 3.916 4.162 -0.246 1
1 21 . 6 1 1 A 7 7 GLY HA3 H 7 3.916 4.162 -0.246 1
1 22 . 6 1 1 A 7 7 GLY C C 7 174.309 171.988 2.321 1
1 23 . 6 1 1 A 7 7 GLY CA C 7 45.399 45.147 0.252 1
1 24 . 6 1 1 A 7 7 GLY N N 7 110.468 106.989 3.479 1
1 25 . 6 1 1 A 8 8 GLU H H 8 8.235 8.436 -0.201 1
1 26 . 6 1 1 A 8 8 GLU HA H 8 4.248 4.411 -0.163 1
1 31 . 6 1 1 A 8 8 GLU C C 8 176.732 176.048 0.684 1
1 32 . 6 1 1 A 8 8 GLU CA C 8 56.630 56.302 0.328 1
1 33 . 6 1 1 A 8 8 GLU CB C 8 30.243 30.152 0.091 1
1 35 . 6 1 1 A 8 8 GLU N N 8 120.254 121.031 -0.777 1
1 36 . 6 1 1 A 9 9 SER H H 9 8.327 9.091 -0.764 1
1 37 . 6 1 1 A 9 9 SER HA H 9 4.385 4.567 -0.182 1
1 40 . 6 1 1 A 9 9 SER C C 9 174.682 174.480 0.202 1
1 41 . 6 1 1 A 9 9 SER CA C 9 58.470 57.613 0.857 1
1 42 . 6 1 1 A 9 9 SER CB C 9 63.742 60.798 2.944 1
1 43 . 6 1 1 A 9 9 SER N N 9 116.213 123.897 -7.684 1
1 44 . 6 1 1 A 10 10 GLU H H 10 8.428 8.446 -0.018 1
1 45 . 6 1 1 A 10 10 GLU HA H 10 4.232 4.077 0.155 1
1 50 . 6 1 1 A 10 10 GLU C C 10 176.769 178.470 -1.701 1
1 51 . 6 1 1 A 10 10 GLU CA C 10 56.887 59.282 -2.395 1
1 52 . 6 1 1 A 10 10 GLU CB C 10 30.267 29.369 0.898 1
1 54 . 6 1 1 A 10 10 GLU N N 10 122.618 123.600 -0.982 1
1 55 . 6 1 1 A 11 11 GLU H H 11 8.315 8.183 0.132 1
1 56 . 6 1 1 A 11 11 GLU HA H 11 4.179 4.214 -0.035 1
1 61 . 6 1 1 A 11 11 GLU C C 11 177.182 179.260 -2.078 1
1 62 . 6 1 1 A 11 11 GLU CA C 11 56.896 58.840 -1.944 1
1 63 . 6 1 1 A 11 11 GLU CB C 11 30.317 28.956 1.361 1
1 65 . 6 1 1 A 11 11 GLU N N 11 120.909 119.408 1.501 1
1 66 . 6 1 1 A 12 12 GLU H H 12 8.333 7.919 0.414 1
1 67 . 6 1 1 A 12 12 GLU HA H 12 4.100 4.111 -0.011 1
1 72 . 6 1 1 A 12 12 GLU C C 12 176.860 178.527 -1.667 1
1 73 . 6 1 1 A 12 12 GLU CA C 12 57.495 58.852 -1.357 1
1 74 . 6 1 1 A 12 12 GLU CB C 12 30.221 29.422 0.799 1
1 76 . 6 1 1 A 12 12 GLU N N 12 121.578 120.232 1.346 1
1 77 . 6 1 1 A 13 13 ASP H H 13 8.332 7.194 1.138 1
1 78 . 6 1 1 A 13 13 ASP HA H 13 4.468 4.624 -0.156 1
1 81 . 6 1 1 A 13 13 ASP C C 13 176.833 175.396 1.437 1
1 82 . 6 1 1 A 13 13 ASP CA C 13 54.921 53.963 0.958 1
1 83 . 6 1 1 A 13 13 ASP CB C 13 40.912 40.488 0.424 1
1 84 . 6 1 1 A 13 13 ASP N N 13 120.147 118.512 1.635 1
1 85 . 6 1 1 A 14 14 LYS H H 14 8.014 7.762 0.252 1
1 86 . 6 1 1 A 14 14 LYS HA H 14 4.204 4.767 -0.563 1
1 95 . 6 1 1 A 14 14 LYS C C 14 176.568 175.382 1.186 1
1 96 . 6 1 1 A 14 14 LYS CA C 14 56.558 54.407 2.151 1
1 97 . 6 1 1 A 14 14 LYS CB C 14 32.598 36.309 -3.711 1
1 101 . 6 1 1 A 14 14 LYS N N 14 120.485 118.607 1.878 1
1 102 . 6 1 1 A 15 15 CYS H H 15 8.013 9.059 -1.046 1
1 103 . 6 1 1 A 15 15 CYS HA H 15 4.304 5.455 -1.151 1
1 106 . 6 1 1 A 15 15 CYS C C 15 173.801 173.454 0.347 1
1 107 . 6 1 1 A 15 15 CYS CA C 15 58.337 57.139 1.198 1
1 108 . 6 1 1 A 15 15 CYS CB C 15 28.061 30.540 -2.479 1
1 109 . 6 1 1 A 15 15 CYS N N 15 118.099 119.086 -0.987 1
1 110 . 6 1 1 A 16 16 LYS H H 16 8.287 8.680 -0.393 1
1 111 . 6 1 1 A 16 16 LYS HA H 16 4.491 4.798 -0.307 1
1 120 . 6 1 1 A 16 16 LYS C C 16 175.117 174.131 0.986 1
1 121 . 6 1 1 A 16 16 LYS CA C 16 54.512 53.143 1.369 1
1 122 . 6 1 1 A 16 16 LYS CB C 16 32.697 33.601 -0.904 1
1 124 . 6 1 1 A 16 16 LYS N N 16 125.369 124.225 1.144 1
1 125 . 6 1 1 A 17 17 PRO HA H 17 4.247 4.551 -0.304 1
1 132 . 6 1 1 A 17 17 PRO C C 17 176.956 176.797 0.159 1
1 133 . 6 1 1 A 17 17 PRO CA C 17 63.088 62.988 0.100 1
1 134 . 6 1 1 A 17 17 PRO CB C 17 32.244 31.513 0.731 1
1 137 . 6 1 1 A 18 18 MET H H 18 8.516 8.330 0.186 1
1 138 . 6 1 1 A 18 18 MET HA H 18 4.488 4.716 -0.228 1
1 146 . 6 1 1 A 18 18 MET C C 18 176.759 176.227 0.532 1
1 147 . 6 1 1 A 18 18 MET CA C 18 56.169 54.039 2.130 1
1 148 . 6 1 1 A 18 18 MET CB C 18 35.531 32.048 3.483 1
1 151 . 6 1 1 A 18 18 MET N N 18 121.801 123.662 -1.861 1
1 152 . 6 1 1 A 19 19 SER H H 19 9.100 8.876 0.224 1
1 153 . 6 1 1 A 19 19 SER HA H 19 4.459 4.563 -0.104 1
1 156 . 6 1 1 A 19 19 SER C C 19 175.018 175.189 -0.171 1
1 157 . 6 1 1 A 19 19 SER CA C 19 56.894 58.841 -1.947 1
1 158 . 6 1 1 A 19 19 SER CB C 19 65.854 64.211 1.643 1
1 159 . 6 1 1 A 19 19 SER N N 19 119.212 120.400 -1.188 1
1 160 . 6 1 1 A 20 20 TYR H H 20 8.959 9.287 -0.328 1
1 161 . 6 1 1 A 20 20 TYR HA H 20 4.029 4.126 -0.097 1
1 168 . 6 1 1 A 20 20 TYR C C 20 177.960 177.305 0.655 1
1 169 . 6 1 1 A 20 20 TYR CA C 20 62.463 62.571 -0.108 1
1 170 . 6 1 1 A 20 20 TYR CB C 20 38.009 38.827 -0.818 1
1 175 . 6 1 1 A 20 20 TYR N N 20 121.218 124.369 -3.151 1
1 176 . 6 1 1 A 21 21 GLU H H 21 8.825 8.170 0.655 1
1 177 . 6 1 1 A 21 21 GLU HA H 21 3.811 3.590 0.221 1
1 182 . 6 1 1 A 21 21 GLU C C 21 179.481 178.766 0.715 1
1 183 . 6 1 1 A 21 21 GLU CA C 21 59.951 59.865 0.086 1
1 184 . 6 1 1 A 21 21 GLU CB C 21 28.823 29.421 -0.598 1
1 186 . 6 1 1 A 21 21 GLU N N 21 118.696 118.214 0.482 1
1 187 . 6 1 1 A 22 22 GLU H H 22 7.771 8.232 -0.461 1
1 188 . 6 1 1 A 22 22 GLU HA H 22 3.899 4.057 -0.158 1
1 193 . 6 1 1 A 22 22 GLU C C 22 179.680 179.134 0.546 1
1 194 . 6 1 1 A 22 22 GLU CA C 22 59.498 59.161 0.337 1
1 195 . 6 1 1 A 22 22 GLU CB C 22 30.385 29.331 1.054 1
1 197 . 6 1 1 A 22 22 GLU N N 22 120.141 120.330 -0.189 1
1 198 . 6 1 1 A 23 23 LYS H H 23 8.101 7.939 0.162 1
1 199 . 6 1 1 A 23 23 LYS HA H 23 3.662 3.942 -0.280 1
1 208 . 6 1 1 A 23 23 LYS C C 23 178.250 179.218 -0.968 1
1 209 . 6 1 1 A 23 23 LYS CA C 23 60.345 59.795 0.550 1
1 210 . 6 1 1 A 23 23 LYS CB C 23 32.611 32.109 0.502 1
1 214 . 6 1 1 A 23 23 LYS N N 23 120.594 119.392 1.202 1
1 215 . 6 1 1 A 24 24 ARG H H 24 8.030 7.822 0.208 1
1 216 . 6 1 1 A 24 24 ARG HA H 24 3.721 3.733 -0.012 1
1 223 . 6 1 1 A 24 24 ARG C C 24 178.992 178.594 0.398 1
1 224 . 6 1 1 A 24 24 ARG CA C 24 59.055 59.249 -0.194 1
1 225 . 6 1 1 A 24 24 ARG CB C 24 29.623 29.723 -0.100 1
1 228 . 6 1 1 A 24 24 ARG N N 24 120.100 118.697 1.403 1
1 229 . 6 1 1 A 25 25 GLN H H 25 7.940 7.875 0.065 1
1 230 . 6 1 1 A 25 25 GLN HA H 25 3.706 3.955 -0.249 1
1 237 . 6 1 1 A 25 25 GLN C C 25 177.078 177.842 -0.764 1
1 238 . 6 1 1 A 25 25 GLN CA C 25 58.104 58.641 -0.537 1
1 239 . 6 1 1 A 25 25 GLN CB C 25 28.294 28.082 0.212 1
1 241 . 6 1 1 A 25 25 GLN N N 25 118.586 119.685 -1.099 1
1 243 . 6 1 1 A 26 26 LEU H H 26 7.843 7.942 -0.099 1
1 244 . 6 1 1 A 26 26 LEU HA H 26 4.182 4.091 0.091 1
1 254 . 6 1 1 A 26 26 LEU C C 26 178.116 178.524 -0.408 1
1 255 . 6 1 1 A 26 26 LEU CA C 26 57.867 58.096 -0.229 1
1 256 . 6 1 1 A 26 26 LEU CB C 26 41.167 41.389 -0.222 1
1 259 . 6 1 1 A 26 26 LEU N N 26 119.570 121.558 -1.988 1
1 260 . 6 1 1 A 27 27 SER H H 27 7.710 7.624 0.086 1
1 261 . 6 1 1 A 27 27 SER HA H 27 3.869 4.221 -0.352 1
1 264 . 6 1 1 A 27 27 SER C C 27 176.845 177.412 -0.567 1
1 265 . 6 1 1 A 27 27 SER CA C 27 61.478 61.481 -0.003 1
1 266 . 6 1 1 A 27 27 SER CB C 27 62.828 62.627 0.201 1
1 267 . 6 1 1 A 27 27 SER N N 27 112.126 114.785 -2.659 1
1 268 . 6 1 1 A 28 28 LEU H H 28 7.613 8.002 -0.389 1
1 269 . 6 1 1 A 28 28 LEU HA H 28 3.954 3.934 0.020 1
1 279 . 6 1 1 A 28 28 LEU C C 28 180.044 178.576 1.468 1
1 280 . 6 1 1 A 28 28 LEU CA C 28 57.862 57.913 -0.051 1
1 281 . 6 1 1 A 28 28 LEU CB C 28 41.703 41.401 0.302 1
1 285 . 6 1 1 A 28 28 LEU N N 28 120.774 122.045 -1.271 1
1 286 . 6 1 1 A 29 29 ASP H H 29 8.476 7.845 0.631 1
1 287 . 6 1 1 A 29 29 ASP HA H 29 4.236 4.447 -0.211 1
1 290 . 6 1 1 A 29 29 ASP C C 29 179.532 179.120 0.412 1
1 291 . 6 1 1 A 29 29 ASP CA C 29 57.618 57.365 0.253 1
1 292 . 6 1 1 A 29 29 ASP CB C 29 40.447 40.319 0.128 1
1 293 . 6 1 1 A 29 29 ASP N N 29 120.971 119.116 1.855 1
1 294 . 6 1 1 A 30 30 ILE H H 30 8.558 8.081 0.477 1
1 295 . 6 1 1 A 30 30 ILE HA H 30 3.564 3.775 -0.211 1
1 305 . 6 1 1 A 30 30 ILE C C 30 178.098 177.666 0.432 1
1 306 . 6 1 1 A 30 30 ILE CA C 30 65.616 64.869 0.747 1
1 307 . 6 1 1 A 30 30 ILE CB C 30 37.697 37.692 0.005 1
1 311 . 6 1 1 A 30 30 ILE N N 30 120.240 121.580 -1.340 1
1 312 . 6 1 1 A 31 31 ASN H H 31 7.350 7.991 -0.641 1
1 313 . 6 1 1 A 31 31 ASN HA H 31 4.560 4.711 -0.151 1
1 318 . 6 1 1 A 31 31 ASN C C 31 175.952 176.131 -0.179 1
1 319 . 6 1 1 A 31 31 ASN CA C 31 54.997 55.145 -0.148 1
1 320 . 6 1 1 A 31 31 ASN CB C 31 38.769 38.233 0.536 1
1 321 . 6 1 1 A 31 31 ASN N N 31 115.285 118.049 -2.764 1
1 323 . 6 1 1 A 32 32 LYS H H 32 7.509 7.720 -0.211 1
1 324 . 6 1 1 A 32 32 LYS HA H 32 4.286 4.337 -0.051 1
1 333 . 6 1 1 A 32 32 LYS C C 32 177.232 176.396 0.836 1
1 334 . 6 1 1 A 32 32 LYS CA C 32 56.330 56.991 -0.661 1
1 335 . 6 1 1 A 32 32 LYS CB C 32 33.570 32.893 0.677 1
1 339 . 6 1 1 A 32 32 LYS N N 32 117.496 117.487 0.009 1
1 340 . 6 1 1 A 33 33 LEU H H 33 7.455 7.348 0.107 1
1 341 . 6 1 1 A 33 33 LEU HA H 33 4.265 4.465 -0.200 1
1 351 . 6 1 1 A 33 33 LEU CA C 33 53.436 52.659 0.777 1
1 352 . 6 1 1 A 33 33 LEU CB C 33 41.464 41.626 -0.162 1
1 356 . 6 1 1 A 33 33 LEU N N 33 120.501 120.892 -0.391 1
1 357 . 6 1 1 A 34 34 PRO HA H 34 4.561 4.651 -0.090 1
1 364 . 6 1 1 A 34 34 PRO C C 34 178.359 177.582 0.777 1
1 365 . 6 1 1 A 34 34 PRO CA C 34 62.251 62.269 -0.018 1
1 366 . 6 1 1 A 34 34 PRO CB C 34 32.489 32.827 -0.338 1
1 369 . 6 1 1 A 35 35 GLY H H 35 8.865 8.709 0.156 1
1 370 . 6 1 1 A 35 35 GLY HA2 H 35 3.709 3.812 -0.103 1
1 371 . 6 1 1 A 35 35 GLY HA3 H 35 4.005 3.813 0.192 1
1 372 . 6 1 1 A 35 35 GLY C C 35 176.845 175.810 1.035 1
1 373 . 6 1 1 A 35 35 GLY CA C 35 48.165 47.343 0.822 1
1 374 . 6 1 1 A 35 35 GLY N N 35 109.986 109.013 0.973 1
1 375 . 6 1 1 A 36 36 GLU H H 36 9.360 8.964 0.396 1
1 376 . 6 1 1 A 36 36 GLU HA H 36 4.233 4.105 0.128 1
1 381 . 6 1 1 A 36 36 GLU C C 36 178.326 177.438 0.888 1
1 382 . 6 1 1 A 36 36 GLU CA C 36 58.964 58.666 0.298 1
1 383 . 6 1 1 A 36 36 GLU CB C 36 28.689 28.411 0.278 1
1 385 . 6 1 1 A 36 36 GLU N N 36 119.485 120.758 -1.273 1
1 386 . 6 1 1 A 37 37 LYS H H 37 7.734 7.976 -0.242 1
1 387 . 6 1 1 A 37 37 LYS HA H 37 4.516 4.522 -0.006 1
1 396 . 6 1 1 A 37 37 LYS C C 37 178.698 177.740 0.958 1
1 397 . 6 1 1 A 37 37 LYS CA C 37 55.977 56.084 -0.107 1
1 398 . 6 1 1 A 37 37 LYS CB C 37 32.981 33.076 -0.095 1
1 402 . 6 1 1 A 37 37 LYS N N 37 116.668 118.814 -2.146 1
1 403 . 6 1 1 A 38 38 LEU H H 38 7.882 7.915 -0.033 1
1 404 . 6 1 1 A 38 38 LEU HA H 38 4.103 4.059 0.044 1
1 414 . 6 1 1 A 38 38 LEU C C 38 179.042 178.398 0.644 1
1 415 . 6 1 1 A 38 38 LEU CA C 38 57.832 57.445 0.387 1
1 416 . 6 1 1 A 38 38 LEU CB C 38 41.753 42.446 -0.693 1
1 420 . 6 1 1 A 38 38 LEU N N 38 121.898 121.838 0.060 1
1 421 . 6 1 1 A 39 39 GLY H H 39 8.212 8.007 0.205 1
1 422 . 6 1 1 A 39 39 GLY HA2 H 39 3.720 3.647 0.073 1
1 423 . 6 1 1 A 39 39 GLY HA3 H 39 3.853 3.675 0.178 1
1 424 . 6 1 1 A 39 39 GLY C C 39 176.507 175.609 0.898 1
1 425 . 6 1 1 A 39 39 GLY CA C 39 47.218 47.176 0.042 1
1 426 . 6 1 1 A 39 39 GLY N N 39 106.042 106.691 -0.649 1
1 427 . 6 1 1 A 40 40 ARG H H 40 7.416 8.005 -0.589 1
1 428 . 6 1 1 A 40 40 ARG HA H 40 4.031 3.257 0.774 1
1 435 . 6 1 1 A 40 40 ARG C C 40 177.974 178.570 -0.596 1
1 436 . 6 1 1 A 40 40 ARG CA C 40 57.460 58.067 -0.607 1
1 437 . 6 1 1 A 40 40 ARG CB C 40 29.051 29.667 -0.616 1
1 440 . 6 1 1 A 40 40 ARG N N 40 120.046 121.634 -1.588 1
1 441 . 6 1 1 A 41 41 VAL H H 41 7.417 8.040 -0.623 1
1 442 . 6 1 1 A 41 41 VAL HA H 41 3.285 3.259 0.026 1
1 450 . 6 1 1 A 41 41 VAL C C 41 177.090 177.987 -0.897 1
1 451 . 6 1 1 A 41 41 VAL CA C 41 66.979 66.087 0.892 1
1 452 . 6 1 1 A 41 41 VAL CB C 41 31.059 31.501 -0.442 1
1 455 . 6 1 1 A 41 41 VAL N N 41 119.285 119.430 -0.145 1
1 456 . 6 1 1 A 42 42 VAL H H 42 7.493 7.494 -0.001 1
1 457 . 6 1 1 A 42 42 VAL HA H 42 3.395 3.548 -0.153 1
1 465 . 6 1 1 A 42 42 VAL C C 42 177.200 178.686 -1.486 1
1 466 . 6 1 1 A 42 42 VAL CA C 42 66.764 66.462 0.302 1
1 467 . 6 1 1 A 42 42 VAL CB C 42 31.296 31.407 -0.111 1
1 470 . 6 1 1 A 42 42 VAL N N 42 116.606 119.852 -3.246 1
1 471 . 6 1 1 A 43 43 HIS H H 43 7.602 7.384 0.218 1
1 472 . 6 1 1 A 43 43 HIS HA H 43 4.264 4.360 -0.096 1
1 477 . 6 1 1 A 43 43 HIS C C 43 178.854 177.833 1.021 1
1 478 . 6 1 1 A 43 43 HIS CA C 43 59.824 59.548 0.276 1
1 479 . 6 1 1 A 43 43 HIS CB C 43 30.605 29.863 0.742 1
1 482 . 6 1 1 A 43 43 HIS N N 43 118.867 117.729 1.138 1
1 483 . 6 1 1 A 44 44 ILE H H 44 8.344 7.874 0.470 1
1 484 . 6 1 1 A 44 44 ILE HA H 44 3.375 3.597 -0.222 1
1 494 . 6 1 1 A 44 44 ILE C C 44 178.054 177.976 0.078 1
1 495 . 6 1 1 A 44 44 ILE CA C 44 65.922 64.190 1.732 1
1 496 . 6 1 1 A 44 44 ILE CB C 44 37.950 37.542 0.408 1
1 500 . 6 1 1 A 44 44 ILE N N 44 121.530 119.952 1.578 1
1 501 . 6 1 1 A 45 45 ILE H H 45 7.604 7.688 -0.084 1
1 502 . 6 1 1 A 45 45 ILE HA H 45 3.311 3.460 -0.149 1
1 512 . 6 1 1 A 45 45 ILE C C 45 177.378 178.015 -0.637 1
1 513 . 6 1 1 A 45 45 ILE CA C 45 66.577 65.385 1.192 1
1 514 . 6 1 1 A 45 45 ILE CB C 45 38.168 37.616 0.552 1
1 518 . 6 1 1 A 45 45 ILE N N 45 117.572 120.547 -2.975 1
1 519 . 6 1 1 A 46 46 GLN H H 46 8.626 8.340 0.286 1
1 520 . 6 1 1 A 46 46 GLN HA H 46 3.719 4.017 -0.298 1
1 527 . 6 1 1 A 46 46 GLN C C 46 177.483 178.282 -0.799 1
1 528 . 6 1 1 A 46 46 GLN CA C 46 59.443 58.594 0.849 1
1 529 . 6 1 1 A 46 46 GLN CB C 46 28.832 28.203 0.629 1
1 531 . 6 1 1 A 46 46 GLN N N 46 115.916 118.888 -2.972 1
1 533 . 6 1 1 A 47 47 SER H H 47 7.862 7.805 0.057 1
1 534 . 6 1 1 A 47 47 SER HA H 47 4.064 4.172 -0.108 1
1 537 . 6 1 1 A 47 47 SER C C 47 175.615 175.261 0.354 1
1 538 . 6 1 1 A 47 47 SER CA C 47 60.602 60.943 -0.341 1
1 539 . 6 1 1 A 47 47 SER CB C 47 63.313 63.139 0.174 1
1 540 . 6 1 1 A 47 47 SER N N 47 110.902 115.614 -4.712 1
1 541 . 6 1 1 A 48 48 ARG H H 48 7.362 8.091 -0.729 1
1 542 . 6 1 1 A 48 48 ARG HA H 48 4.306 4.399 -0.093 1
1 549 . 6 1 1 A 48 48 ARG C C 48 176.365 176.162 0.203 1
1 550 . 6 1 1 A 48 48 ARG CA C 48 55.992 56.553 -0.561 1
1 551 . 6 1 1 A 48 48 ARG CB C 48 33.000 31.207 1.793 1
1 554 . 6 1 1 A 48 48 ARG N N 48 118.403 117.828 0.575 1
1 555 . 6 1 1 A 49 49 GLU H H 49 7.714 7.627 0.087 1
1 556 . 6 1 1 A 49 49 GLU HA H 49 4.806 4.784 0.022 1
1 561 . 6 1 1 A 49 49 GLU C C 49 174.213 174.731 -0.518 1
1 562 . 6 1 1 A 49 49 GLU CA C 49 52.903 54.017 -1.114 1
1 563 . 6 1 1 A 49 49 GLU CB C 49 28.835 30.167 -1.332 1
1 565 . 6 1 1 A 49 49 GLU N N 49 118.387 118.880 -0.493 1
1 566 . 6 1 1 A 50 50 PRO HA H 50 4.273 4.260 0.013 1
1 573 . 6 1 1 A 50 50 PRO C C 50 178.412 177.878 0.534 1
1 574 . 6 1 1 A 50 50 PRO CA C 50 64.641 65.140 -0.499 1
1 575 . 6 1 1 A 50 50 PRO CB C 50 32.045 32.186 -0.141 1
1 578 . 6 1 1 A 51 51 SER H H 51 8.290 8.239 0.051 1
1 579 . 6 1 1 A 51 51 SER HA H 51 4.271 4.262 0.009 1
1 582 . 6 1 1 A 51 51 SER C C 51 175.130 174.930 0.200 1
1 583 . 6 1 1 A 51 51 SER CA C 51 59.824 60.680 -0.856 1
1 584 . 6 1 1 A 51 51 SER CB C 51 63.071 63.048 0.023 1
1 585 . 6 1 1 A 51 51 SER N N 51 112.214 112.949 -0.735 1
1 586 . 6 1 1 A 52 52 LEU H H 52 7.882 7.668 0.214 1
1 587 . 6 1 1 A 52 52 LEU HA H 52 4.479 4.430 0.049 1
1 597 . 6 1 1 A 52 52 LEU C C 52 177.843 177.600 0.243 1
1 598 . 6 1 1 A 52 52 LEU CA C 52 54.734 54.697 0.037 1
1 599 . 6 1 1 A 52 52 LEU CB C 52 42.500 42.297 0.203 1
1 603 . 6 1 1 A 52 52 LEU N N 52 121.800 118.122 3.678 1
1 604 . 6 1 1 A 53 53 LYS H H 53 7.638 7.530 0.108 1
1 605 . 6 1 1 A 53 53 LYS HA H 53 4.022 3.926 0.096 1
1 614 . 6 1 1 A 53 53 LYS C C 53 176.270 178.676 -2.406 1
1 615 . 6 1 1 A 53 53 LYS CA C 53 58.288 59.700 -1.412 1
1 616 . 6 1 1 A 53 53 LYS CB C 53 32.924 32.123 0.801 1
1 620 . 6 1 1 A 53 53 LYS N N 53 121.559 121.660 -0.101 1
1 621 . 6 1 1 A 54 54 ASN H H 54 8.266 7.701 0.565 1
1 622 . 6 1 1 A 54 54 ASN HA H 54 4.732 4.694 0.038 1
1 627 . 6 1 1 A 54 54 ASN C C 54 175.097 175.550 -0.453 1
1 628 . 6 1 1 A 54 54 ASN CA C 54 53.020 54.214 -1.194 1
1 629 . 6 1 1 A 54 54 ASN CB C 54 38.863 39.410 -0.547 1
1 630 . 6 1 1 A 54 54 ASN N N 54 116.053 115.654 0.399 1
1 632 . 6 1 1 A 55 55 SER H H 55 7.692 7.416 0.276 1
1 633 . 6 1 1 A 55 55 SER HA H 55 4.288 4.492 -0.204 1
1 636 . 6 1 1 A 55 55 SER C C 55 173.418 174.178 -0.760 1
1 637 . 6 1 1 A 55 55 SER CA C 55 58.900 58.522 0.378 1
1 638 . 6 1 1 A 55 55 SER CB C 55 63.914 64.300 -0.386 1
1 639 . 6 1 1 A 55 55 SER N N 55 115.901 116.308 -0.407 1
1 640 . 6 1 1 A 56 56 ASN H H 56 8.574 8.544 0.030 1
1 641 . 6 1 1 A 56 56 ASN HA H 56 4.857 4.867 -0.010 1
1 646 . 6 1 1 A 56 56 ASN C C 56 174.843 175.701 -0.858 1
1 647 . 6 1 1 A 56 56 ASN CA C 56 50.974 51.210 -0.236 1
1 648 . 6 1 1 A 56 56 ASN CB C 56 38.744 38.965 -0.221 1
1 649 . 6 1 1 A 56 56 ASN N N 56 122.245 122.592 -0.347 1
1 651 . 6 1 1 A 57 57 PRO HA H 57 4.079 4.346 -0.267 1
1 658 . 6 1 1 A 57 57 PRO C C 57 176.856 177.869 -1.013 1
1 659 . 6 1 1 A 57 57 PRO CA C 57 64.733 65.076 -0.343 1
1 660 . 6 1 1 A 57 57 PRO CB C 57 31.968 32.007 -0.039 1
1 663 . 6 1 1 A 58 58 ASP H H 58 8.024 8.498 -0.474 1
1 664 . 6 1 1 A 58 58 ASP HA H 58 4.445 4.497 -0.052 1
1 667 . 6 1 1 A 58 58 ASP C C 58 176.369 177.167 -0.798 1
1 668 . 6 1 1 A 58 58 ASP CA C 58 55.247 55.551 -0.304 1
1 669 . 6 1 1 A 58 58 ASP CB C 58 40.828 40.309 0.519 1
1 670 . 6 1 1 A 58 58 ASP N N 58 114.883 115.987 -1.104 1
1 671 . 6 1 1 A 59 59 GLU H H 59 7.663 7.625 0.038 1
1 672 . 6 1 1 A 59 59 GLU HA H 59 4.341 4.430 -0.089 1
1 677 . 6 1 1 A 59 59 GLU C C 59 175.690 176.473 -0.783 1
1 678 . 6 1 1 A 59 59 GLU CA C 59 55.425 56.385 -0.960 1
1 679 . 6 1 1 A 59 59 GLU CB C 59 31.140 30.208 0.932 1
1 681 . 6 1 1 A 59 59 GLU N N 59 117.763 117.609 0.154 1
1 682 . 6 1 1 A 60 60 ILE H H 60 7.457 7.259 0.198 1
1 683 . 6 1 1 A 60 60 ILE HA H 60 3.962 4.268 -0.306 1
1 693 . 6 1 1 A 60 60 ILE C C 60 174.951 175.091 -0.140 1
1 694 . 6 1 1 A 60 60 ILE CA C 60 61.416 60.279 1.137 1
1 695 . 6 1 1 A 60 60 ILE CB C 60 38.693 40.030 -1.337 1
1 699 . 6 1 1 A 60 60 ILE N N 60 120.600 120.809 -0.209 1
1 700 . 6 1 1 A 61 61 GLU H H 61 8.267 8.764 -0.497 1
1 701 . 6 1 1 A 61 61 GLU HA H 61 4.333 4.900 -0.567 1
1 706 . 6 1 1 A 61 61 GLU C C 61 175.576 175.599 -0.023 1
1 707 . 6 1 1 A 61 61 GLU CA C 61 55.085 54.931 0.154 1
1 708 . 6 1 1 A 61 61 GLU CB C 61 30.717 31.873 -1.156 1
1 710 . 6 1 1 A 61 61 GLU N N 61 126.935 124.314 2.621 1
1 711 . 6 1 1 A 62 62 ILE H H 62 8.425 8.797 -0.372 1
1 712 . 6 1 1 A 62 62 ILE HA H 62 3.570 4.052 -0.482 1
1 722 . 6 1 1 A 62 62 ILE C C 62 174.594 175.105 -0.511 1
1 723 . 6 1 1 A 62 62 ILE CA C 62 61.570 61.770 -0.200 1
1 724 . 6 1 1 A 62 62 ILE CB C 62 38.187 36.963 1.224 1
1 728 . 6 1 1 A 62 62 ILE N N 62 124.857 125.975 -1.118 1
1 729 . 6 1 1 A 63 63 ASP H H 63 8.459 8.737 -0.278 1
1 730 . 6 1 1 A 63 63 ASP HA H 63 4.691 5.206 -0.515 1
1 733 . 6 1 1 A 63 63 ASP C C 63 177.284 176.216 1.068 1
1 734 . 6 1 1 A 63 63 ASP CA C 63 52.272 53.552 -1.280 1
1 735 . 6 1 1 A 63 63 ASP CB C 63 41.160 41.340 -0.180 1
1 736 . 6 1 1 A 63 63 ASP N N 63 126.597 128.801 -2.204 1
1 737 . 6 1 1 A 64 64 PHE H H 64 8.609 8.766 -0.157 1
1 738 . 6 1 1 A 64 64 PHE HA H 64 4.016 4.230 -0.214 1
1 746 . 6 1 1 A 64 64 PHE C C 64 177.010 177.634 -0.624 1
1 747 . 6 1 1 A 64 64 PHE CA C 64 59.795 60.864 -1.069 1
1 748 . 6 1 1 A 64 64 PHE CB C 64 38.084 38.337 -0.253 1
1 754 . 6 1 1 A 64 64 PHE N N 64 123.270 122.288 0.982 1
1 755 . 6 1 1 A 65 65 GLU H H 65 8.317 9.028 -0.711 1
1 756 . 6 1 1 A 65 65 GLU HA H 65 4.171 4.219 -0.048 1
1 761 . 6 1 1 A 65 65 GLU C C 65 177.913 177.243 0.670 1
1 762 . 6 1 1 A 65 65 GLU CA C 65 57.524 58.966 -1.442 1
1 763 . 6 1 1 A 65 65 GLU CB C 65 29.440 28.224 1.216 1
1 765 . 6 1 1 A 65 65 GLU N N 65 114.355 117.733 -3.378 1
1 766 . 6 1 1 A 66 66 THR H H 66 7.388 7.671 -0.283 1
1 767 . 6 1 1 A 66 66 THR HA H 66 4.396 4.597 -0.201 1
1 772 . 6 1 1 A 66 66 THR C C 66 174.662 174.619 0.043 1
1 773 . 6 1 1 A 66 66 THR CA C 66 61.316 62.143 -0.827 1
1 774 . 6 1 1 A 66 66 THR CB C 66 69.711 71.024 -1.313 1
1 776 . 6 1 1 A 66 66 THR N N 66 106.424 113.443 -7.019 1
1 777 . 6 1 1 A 67 67 LEU H H 67 6.677 7.042 -0.365 1
1 778 . 6 1 1 A 67 67 LEU HA H 67 4.350 4.134 0.216 1
1 788 . 6 1 1 A 67 67 LEU C C 67 176.647 177.050 -0.403 1
1 789 . 6 1 1 A 67 67 LEU CA C 67 54.104 55.268 -1.164 1
1 790 . 6 1 1 A 67 67 LEU CB C 67 43.365 41.918 1.447 1
1 794 . 6 1 1 A 67 67 LEU N N 67 120.589 124.110 -3.521 1
1 795 . 6 1 1 A 68 68 LYS H H 68 9.947 8.556 1.391 1
1 796 . 6 1 1 A 68 68 LYS HA H 68 4.387 4.336 0.051 1
1 805 . 6 1 1 A 68 68 LYS C C 68 176.786 176.871 -0.085 1
1 806 . 6 1 1 A 68 68 LYS CA C 68 55.574 54.919 0.655 1
1 807 . 6 1 1 A 68 68 LYS CB C 68 31.897 32.024 -0.127 1
1 811 . 6 1 1 A 68 68 LYS N N 68 123.363 123.449 -0.086 1
1 812 . 6 1 1 A 69 69 PRO HA H 69 4.091 4.355 -0.264 1
1 819 . 6 1 1 A 69 69 PRO C C 69 178.646 178.456 0.190 1
1 820 . 6 1 1 A 69 69 PRO CA C 69 66.153 65.433 0.720 1
1 821 . 6 1 1 A 69 69 PRO CB C 69 31.985 31.787 0.198 1
1 824 . 6 1 1 A 70 70 SER H H 70 8.490 8.336 0.154 1
1 825 . 6 1 1 A 70 70 SER HA H 70 4.231 4.207 0.024 1
1 828 . 6 1 1 A 70 70 SER C C 70 177.784 176.634 1.150 1
1 829 . 6 1 1 A 70 70 SER CA C 70 60.787 61.519 -0.732 1
1 830 . 6 1 1 A 70 70 SER CB C 70 61.797 62.937 -1.140 1
1 831 . 6 1 1 A 70 70 SER N N 70 109.802 113.939 -4.137 1
1 832 . 6 1 1 A 71 71 THR H H 71 7.340 7.682 -0.342 1
1 833 . 6 1 1 A 71 71 THR HA H 71 3.735 3.995 -0.260 1
1 838 . 6 1 1 A 71 71 THR C C 71 176.072 176.246 -0.174 1
1 839 . 6 1 1 A 71 71 THR CA C 71 65.913 66.930 -1.017 1
1 840 . 6 1 1 A 71 71 THR CB C 71 67.239 68.397 -1.158 1
1 842 . 6 1 1 A 71 71 THR N N 71 122.295 119.298 2.997 1
1 843 . 6 1 1 A 72 72 LEU H H 72 7.839 8.345 -0.506 1
1 844 . 6 1 1 A 72 72 LEU HA H 72 3.713 3.950 -0.237 1
1 854 . 6 1 1 A 72 72 LEU C C 72 178.998 179.174 -0.176 1
1 855 . 6 1 1 A 72 72 LEU CA C 72 58.622 57.762 0.860 1
1 856 . 6 1 1 A 72 72 LEU CB C 72 40.911 40.889 0.022 1
1 859 . 6 1 1 A 72 72 LEU N N 72 120.539 120.926 -0.387 1
1 860 . 6 1 1 A 73 73 ARG H H 73 8.244 8.439 -0.195 1
1 861 . 6 1 1 A 73 73 ARG HA H 73 4.100 3.926 0.174 1
1 869 . 6 1 1 A 73 73 ARG C C 73 178.935 178.671 0.264 1
1 870 . 6 1 1 A 73 73 ARG CA C 73 57.649 60.050 -2.401 1
1 871 . 6 1 1 A 73 73 ARG CB C 73 28.923 29.984 -1.061 1
1 874 . 6 1 1 A 73 73 ARG N N 73 115.473 119.134 -3.661 1
1 876 . 6 1 1 A 74 74 GLU H H 74 7.758 7.673 0.085 1
1 877 . 6 1 1 A 74 74 GLU HA H 74 4.139 4.138 0.001 1
1 882 . 6 1 1 A 74 74 GLU C C 74 179.640 179.557 0.083 1
1 883 . 6 1 1 A 74 74 GLU CA C 74 59.519 59.255 0.264 1
1 884 . 6 1 1 A 74 74 GLU CB C 74 28.670 29.171 -0.501 1
1 886 . 6 1 1 A 74 74 GLU N N 74 122.400 119.730 2.670 1
1 887 . 6 1 1 A 75 75 LEU H H 75 8.387 7.750 0.637 1
1 888 . 6 1 1 A 75 75 LEU HA H 75 4.070 4.017 0.053 1
1 898 . 6 1 1 A 75 75 LEU C C 75 178.024 179.367 -1.343 1
1 899 . 6 1 1 A 75 75 LEU CA C 75 58.147 58.108 0.039 1
1 900 . 6 1 1 A 75 75 LEU CB C 75 42.673 41.331 1.342 1
1 904 . 6 1 1 A 75 75 LEU N N 75 119.699 120.437 -0.738 1
1 905 . 6 1 1 A 76 76 GLU H H 76 8.537 8.295 0.242 1
1 906 . 6 1 1 A 76 76 GLU HA H 76 3.751 4.011 -0.260 1
1 911 . 6 1 1 A 76 76 GLU C C 76 178.799 178.796 0.003 1
1 912 . 6 1 1 A 76 76 GLU CA C 76 59.871 59.628 0.243 1
1 913 . 6 1 1 A 76 76 GLU CB C 76 30.145 28.986 1.159 1
1 915 . 6 1 1 A 76 76 GLU N N 76 120.074 119.887 0.187 1
1 916 . 6 1 1 A 77 77 ARG H H 77 8.032 7.754 0.278 1
1 917 . 6 1 1 A 77 77 ARG HA H 77 3.934 4.007 -0.073 1
1 924 . 6 1 1 A 77 77 ARG C C 77 179.220 178.052 1.168 1
1 925 . 6 1 1 A 77 77 ARG CA C 77 59.974 58.988 0.986 1
1 926 . 6 1 1 A 77 77 ARG CB C 77 30.413 29.748 0.665 1
1 929 . 6 1 1 A 77 77 ARG N N 77 120.100 120.569 -0.469 1
1 930 . 6 1 1 A 78 78 TYR H H 78 8.084 8.023 0.061 1
1 931 . 6 1 1 A 78 78 TYR HA H 78 4.260 4.214 0.046 1
1 938 . 6 1 1 A 78 78 TYR C C 78 178.620 177.231 1.389 1
1 939 . 6 1 1 A 78 78 TYR CA C 78 61.507 61.233 0.274 1
1 940 . 6 1 1 A 78 78 TYR CB C 78 38.440 38.784 -0.344 1
1 945 . 6 1 1 A 78 78 TYR N N 78 120.327 120.765 -0.438 1
1 946 . 6 1 1 A 79 79 VAL H H 79 9.136 8.143 0.993 1
1 947 . 6 1 1 A 79 79 VAL HA H 79 3.161 3.727 -0.566 1
1 955 . 6 1 1 A 79 79 VAL C C 79 178.067 178.190 -0.123 1
1 956 . 6 1 1 A 79 79 VAL CA C 79 67.306 65.631 1.675 1
1 957 . 6 1 1 A 79 79 VAL CB C 79 31.505 31.575 -0.070 1
1 960 . 6 1 1 A 79 79 VAL N N 79 120.576 118.911 1.665 1
1 961 . 6 1 1 A 80 80 THR H H 80 8.297 8.147 0.150 1
1 962 . 6 1 1 A 80 80 THR HA H 80 3.721 3.890 -0.169 1
1 967 . 6 1 1 A 80 80 THR C C 80 176.623 176.045 0.578 1
1 968 . 6 1 1 A 80 80 THR CA C 80 66.823 66.327 0.496 1
1 969 . 6 1 1 A 80 80 THR CB C 80 68.508 68.578 -0.070 1
1 971 . 6 1 1 A 80 80 THR N N 80 115.107 117.548 -2.441 1
1 972 . 6 1 1 A 81 81 SER H H 81 7.537 7.824 -0.287 1
1 973 . 6 1 1 A 81 81 SER HA H 81 4.165 4.295 -0.130 1
1 976 . 6 1 1 A 81 81 SER C C 81 176.196 176.795 -0.599 1
1 977 . 6 1 1 A 81 81 SER CA C 81 61.371 61.116 0.255 1
1 978 . 6 1 1 A 81 81 SER CB C 81 62.826 63.258 -0.432 1
1 979 . 6 1 1 A 81 81 SER N N 81 116.178 115.719 0.459 1
1 980 . 6 1 1 A 82 82 CYS H H 82 7.523 7.821 -0.298 1
1 981 . 6 1 1 A 82 82 CYS HA H 82 4.084 4.009 0.075 1
1 984 . 6 1 1 A 82 82 CYS C C 82 176.363 177.010 -0.647 1
1 985 . 6 1 1 A 82 82 CYS CA C 82 62.173 62.278 -0.105 1
1 986 . 6 1 1 A 82 82 CYS CB C 82 27.872 27.063 0.809 1
1 987 . 6 1 1 A 82 82 CYS N N 82 118.207 120.046 -1.839 1
1 988 . 6 1 1 A 83 83 LEU H H 83 7.652 7.772 -0.120 1
1 989 . 6 1 1 A 83 83 LEU HA H 83 4.216 4.117 0.099 1
1 999 . 6 1 1 A 83 83 LEU C C 83 177.349 177.695 -0.346 1
1 1000 . 6 1 1 A 83 83 LEU CA C 83 55.521 57.793 -2.272 1
1 1001 . 6 1 1 A 83 83 LEU CB C 83 42.550 42.299 0.251 1
1 1005 . 6 1 1 A 83 83 LEU N N 83 118.141 120.283 -2.142 1
1 1006 . 6 1 1 A 84 84 ARG H H 84 7.754 7.770 -0.016 1
1 1007 . 6 1 1 A 84 84 ARG HA H 84 4.153 4.438 -0.285 1
1 1014 . 6 1 1 A 84 84 ARG C C 84 176.300 176.380 -0.080 1
1 1015 . 6 1 1 A 84 84 ARG CA C 84 56.829 54.909 1.920 1
1 1016 . 6 1 1 A 84 84 ARG CB C 84 29.926 28.447 1.479 1
1 1019 . 6 1 1 A 84 84 ARG N N 84 118.881 116.583 2.298 1
1 1020 . 6 1 1 A 85 85 LYS H H 85 7.904 7.790 0.114 1
1 1021 . 6 1 1 A 85 85 LYS HA H 85 4.178 4.256 -0.078 1
1 1030 . 6 1 1 A 85 85 LYS C C 85 176.549 175.988 0.561 1
1 1031 . 6 1 1 A 85 85 LYS CA C 85 56.514 56.431 0.083 1
1 1032 . 6 1 1 A 85 85 LYS CB C 85 32.931 31.566 1.365 1
1 1036 . 6 1 1 A 85 85 LYS N N 85 120.528 120.336 0.192 1
1 1037 . 6 1 1 A 86 86 LYS H H 86 8.139 8.260 -0.121 1
1 1038 . 6 1 1 A 86 86 LYS HA H 86 4.194 4.394 -0.200 1
1 1047 . 6 1 1 A 86 86 LYS C C 86 176.395 177.586 -1.191 1
1 1048 . 6 1 1 A 86 86 LYS CA C 86 56.244 56.050 0.194 1
1 1049 . 6 1 1 A 86 86 LYS CB C 86 32.971 33.014 -0.043 1
1 1053 . 6 1 1 A 86 86 LYS N N 86 121.979 120.994 0.985 1
1 1054 . 6 1 1 A 87 87 ARG H H 87 8.242 7.844 0.398 1
1 1055 . 6 1 1 A 87 87 ARG HA H 87 4.223 4.187 0.036 1
1 1062 . 6 1 1 A 87 87 ARG C C 87 175.989 175.955 0.034 1
1 1063 . 6 1 1 A 87 87 ARG CA C 87 55.953 57.855 -1.902 1
1 1064 . 6 1 1 A 87 87 ARG CB C 87 31.019 30.189 0.830 1
1 1067 . 6 1 1 A 87 87 ARG N N 87 122.606 120.067 2.539 1
1 1068 . 6 1 1 A 88 88 LYS H H 88 8.318 7.906 0.412 1
1 1069 . 6 1 1 A 88 88 LYS HA H 88 4.506 3.940 0.566 1
1 1074 . 6 1 1 A 88 88 LYS C C 88 174.589 175.484 -0.895 1
1 1075 . 6 1 1 A 88 88 LYS CA C 88 54.349 57.147 -2.798 1
1 1076 . 6 1 1 A 88 88 LYS CB C 88 32.576 30.975 1.601 1
1 1077 . 6 1 1 A 88 88 LYS N N 88 124.253 119.339 4.914 1
1 1078 . 6 1 1 A 89 89 PRO HA H 89 4.327 4.660 -0.333 1
1 1085 . 6 1 1 A 89 89 PRO C C 89 176.044 176.906 -0.862 1
1 1086 . 6 1 1 A 89 89 PRO CA C 89 63.489 62.384 1.105 1
1 1087 . 6 1 1 A 89 89 PRO CB C 89 31.921 33.078 -1.157 1
1 1 . 7 1 1 A 4 4 GLY C C 4 174.318 174.908 -0.590 1
1 2 . 7 1 1 A 4 4 GLY CA C 4 45.318 47.166 -1.848 1
1 3 . 7 1 1 A 5 5 SER H H 5 8.211 8.161 0.050 1
1 4 . 7 1 1 A 5 5 SER HA H 5 4.460 4.544 -0.084 1
1 7 . 7 1 1 A 5 5 SER C C 5 174.891 173.480 1.411 1
1 8 . 7 1 1 A 5 5 SER CA C 5 58.299 59.289 -0.990 1
1 9 . 7 1 1 A 5 5 SER CB C 5 64.052 63.929 0.123 1
1 10 . 7 1 1 A 5 5 SER N N 5 115.510 115.818 -0.308 1
1 11 . 7 1 1 A 6 6 SER H H 6 8.444 8.485 -0.041 1
1 12 . 7 1 1 A 6 6 SER HA H 6 4.428 5.185 -0.757 1
1 15 . 7 1 1 A 6 6 SER C C 6 175.096 174.966 0.130 1
1 16 . 7 1 1 A 6 6 SER CA C 6 58.706 57.279 1.427 1
1 17 . 7 1 1 A 6 6 SER CB C 6 63.920 67.446 -3.526 1
1 18 . 7 1 1 A 6 6 SER N N 6 117.613 118.773 -1.160 1
1 19 . 7 1 1 A 7 7 GLY H H 7 8.359 8.845 -0.486 1
1 20 . 7 1 1 A 7 7 GLY HA2 H 7 3.916 3.991 -0.075 1
1 21 . 7 1 1 A 7 7 GLY HA3 H 7 3.916 3.991 -0.075 1
1 22 . 7 1 1 A 7 7 GLY C C 7 174.309 174.279 0.030 1
1 23 . 7 1 1 A 7 7 GLY CA C 7 45.399 45.323 0.076 1
1 24 . 7 1 1 A 7 7 GLY N N 7 110.468 112.226 -1.758 1
1 25 . 7 1 1 A 8 8 GLU H H 8 8.235 8.202 0.033 1
1 26 . 7 1 1 A 8 8 GLU HA H 8 4.248 4.444 -0.196 1
1 31 . 7 1 1 A 8 8 GLU C C 8 176.732 176.205 0.527 1
1 32 . 7 1 1 A 8 8 GLU CA C 8 56.630 56.952 -0.322 1
1 33 . 7 1 1 A 8 8 GLU CB C 8 30.243 32.767 -2.524 1
1 35 . 7 1 1 A 8 8 GLU N N 8 120.254 118.187 2.067 1
1 36 . 7 1 1 A 9 9 SER H H 9 8.327 7.794 0.533 1
1 37 . 7 1 1 A 9 9 SER HA H 9 4.385 4.656 -0.271 1
1 40 . 7 1 1 A 9 9 SER C C 9 174.682 174.570 0.112 1
1 41 . 7 1 1 A 9 9 SER CA C 9 58.470 56.726 1.744 1
1 42 . 7 1 1 A 9 9 SER CB C 9 63.742 64.700 -0.958 1
1 43 . 7 1 1 A 9 9 SER N N 9 116.213 112.698 3.515 1
1 44 . 7 1 1 A 10 10 GLU H H 10 8.428 8.736 -0.308 1
1 45 . 7 1 1 A 10 10 GLU HA H 10 4.232 4.469 -0.237 1
1 50 . 7 1 1 A 10 10 GLU C C 10 176.769 177.593 -0.824 1
1 51 . 7 1 1 A 10 10 GLU CA C 10 56.887 56.854 0.033 1
1 52 . 7 1 1 A 10 10 GLU CB C 10 30.267 30.306 -0.039 1
1 54 . 7 1 1 A 10 10 GLU N N 10 122.618 124.160 -1.542 1
1 55 . 7 1 1 A 11 11 GLU H H 11 8.315 7.952 0.363 1
1 56 . 7 1 1 A 11 11 GLU HA H 11 4.179 4.162 0.017 1
1 61 . 7 1 1 A 11 11 GLU C C 11 177.182 177.976 -0.794 1
1 62 . 7 1 1 A 11 11 GLU CA C 11 56.896 58.607 -1.711 1
1 63 . 7 1 1 A 11 11 GLU CB C 11 30.317 29.732 0.585 1
1 65 . 7 1 1 A 11 11 GLU N N 11 120.909 121.229 -0.320 1
1 66 . 7 1 1 A 12 12 GLU H H 12 8.333 8.297 0.036 1
1 67 . 7 1 1 A 12 12 GLU HA H 12 4.100 4.334 -0.234 1
1 72 . 7 1 1 A 12 12 GLU C C 12 176.860 178.835 -1.975 1
1 73 . 7 1 1 A 12 12 GLU CA C 12 57.495 58.084 -0.589 1
1 74 . 7 1 1 A 12 12 GLU CB C 12 30.221 30.448 -0.227 1
1 76 . 7 1 1 A 12 12 GLU N N 12 121.578 117.103 4.475 1
1 77 . 7 1 1 A 13 13 ASP H H 13 8.332 8.039 0.293 1
1 78 . 7 1 1 A 13 13 ASP HA H 13 4.468 4.552 -0.084 1
1 81 . 7 1 1 A 13 13 ASP C C 13 176.833 176.606 0.227 1
1 82 . 7 1 1 A 13 13 ASP CA C 13 54.921 55.310 -0.389 1
1 83 . 7 1 1 A 13 13 ASP CB C 13 40.912 40.688 0.224 1
1 84 . 7 1 1 A 13 13 ASP N N 13 120.147 120.199 -0.052 1
1 85 . 7 1 1 A 14 14 LYS H H 14 8.014 7.421 0.593 1
1 86 . 7 1 1 A 14 14 LYS HA H 14 4.204 4.242 -0.038 1
1 95 . 7 1 1 A 14 14 LYS C C 14 176.568 176.739 -0.171 1
1 96 . 7 1 1 A 14 14 LYS CA C 14 56.558 57.230 -0.672 1
1 97 . 7 1 1 A 14 14 LYS CB C 14 32.598 32.904 -0.306 1
1 101 . 7 1 1 A 14 14 LYS N N 14 120.485 119.820 0.665 1
1 102 . 7 1 1 A 15 15 CYS H H 15 8.013 8.409 -0.396 1
1 103 . 7 1 1 A 15 15 CYS HA H 15 4.304 4.686 -0.382 1
1 106 . 7 1 1 A 15 15 CYS C C 15 173.801 174.064 -0.263 1
1 107 . 7 1 1 A 15 15 CYS CA C 15 58.337 58.255 0.082 1
1 108 . 7 1 1 A 15 15 CYS CB C 15 28.061 29.136 -1.075 1
1 109 . 7 1 1 A 15 15 CYS N N 15 118.099 121.993 -3.894 1
1 110 . 7 1 1 A 16 16 LYS H H 16 8.287 8.584 -0.297 1
1 111 . 7 1 1 A 16 16 LYS HA H 16 4.491 4.756 -0.265 1
1 120 . 7 1 1 A 16 16 LYS C C 16 175.117 173.731 1.386 1
1 121 . 7 1 1 A 16 16 LYS CA C 16 54.512 53.129 1.383 1
1 122 . 7 1 1 A 16 16 LYS CB C 16 32.697 34.223 -1.526 1
1 124 . 7 1 1 A 16 16 LYS N N 16 125.369 121.077 4.292 1
1 125 . 7 1 1 A 17 17 PRO HA H 17 4.247 4.575 -0.328 1
1 132 . 7 1 1 A 17 17 PRO C C 17 176.956 175.398 1.558 1
1 133 . 7 1 1 A 17 17 PRO CA C 17 63.088 62.869 0.219 1
1 134 . 7 1 1 A 17 17 PRO CB C 17 32.244 32.534 -0.290 1
1 137 . 7 1 1 A 18 18 MET H H 18 8.516 8.345 0.171 1
1 138 . 7 1 1 A 18 18 MET HA H 18 4.488 4.950 -0.462 1
1 146 . 7 1 1 A 18 18 MET C C 18 176.759 175.646 1.113 1
1 147 . 7 1 1 A 18 18 MET CA C 18 56.169 54.740 1.429 1
1 148 . 7 1 1 A 18 18 MET CB C 18 35.531 34.998 0.533 1
1 151 . 7 1 1 A 18 18 MET N N 18 121.801 120.458 1.343 1
1 152 . 7 1 1 A 19 19 SER H H 19 9.100 9.021 0.079 1
1 153 . 7 1 1 A 19 19 SER HA H 19 4.459 4.595 -0.136 1
1 156 . 7 1 1 A 19 19 SER C C 19 175.018 175.357 -0.339 1
1 157 . 7 1 1 A 19 19 SER CA C 19 56.894 58.683 -1.789 1
1 158 . 7 1 1 A 19 19 SER CB C 19 65.854 64.445 1.409 1
1 159 . 7 1 1 A 19 19 SER N N 19 119.212 120.358 -1.146 1
1 160 . 7 1 1 A 20 20 TYR H H 20 8.959 9.261 -0.302 1
1 161 . 7 1 1 A 20 20 TYR HA H 20 4.029 4.134 -0.105 1
1 168 . 7 1 1 A 20 20 TYR C C 20 177.960 177.406 0.554 1
1 169 . 7 1 1 A 20 20 TYR CA C 20 62.463 62.480 -0.017 1
1 170 . 7 1 1 A 20 20 TYR CB C 20 38.009 38.514 -0.505 1
1 175 . 7 1 1 A 20 20 TYR N N 20 121.218 124.369 -3.151 1
1 176 . 7 1 1 A 21 21 GLU H H 21 8.825 8.205 0.620 1
1 177 . 7 1 1 A 21 21 GLU HA H 21 3.811 3.751 0.060 1
1 182 . 7 1 1 A 21 21 GLU C C 21 179.481 178.886 0.595 1
1 183 . 7 1 1 A 21 21 GLU CA C 21 59.951 59.435 0.516 1
1 184 . 7 1 1 A 21 21 GLU CB C 21 28.823 29.050 -0.227 1
1 186 . 7 1 1 A 21 21 GLU N N 21 118.696 117.640 1.056 1
1 187 . 7 1 1 A 22 22 GLU H H 22 7.771 8.018 -0.247 1
1 188 . 7 1 1 A 22 22 GLU HA H 22 3.899 4.043 -0.144 1
1 193 . 7 1 1 A 22 22 GLU C C 22 179.680 179.189 0.491 1
1 194 . 7 1 1 A 22 22 GLU CA C 22 59.498 59.120 0.378 1
1 195 . 7 1 1 A 22 22 GLU CB C 22 30.385 29.411 0.974 1
1 197 . 7 1 1 A 22 22 GLU N N 22 120.141 120.494 -0.353 1
1 198 . 7 1 1 A 23 23 LYS H H 23 8.101 7.728 0.373 1
1 199 . 7 1 1 A 23 23 LYS HA H 23 3.662 3.628 0.034 1
1 208 . 7 1 1 A 23 23 LYS C C 23 178.250 179.129 -0.879 1
1 209 . 7 1 1 A 23 23 LYS CA C 23 60.345 59.699 0.646 1
1 210 . 7 1 1 A 23 23 LYS CB C 23 32.611 32.023 0.588 1
1 214 . 7 1 1 A 23 23 LYS N N 23 120.594 119.432 1.162 1
1 215 . 7 1 1 A 24 24 ARG H H 24 8.030 7.806 0.224 1
1 216 . 7 1 1 A 24 24 ARG HA H 24 3.721 3.993 -0.272 1
1 223 . 7 1 1 A 24 24 ARG C C 24 178.992 178.775 0.217 1
1 224 . 7 1 1 A 24 24 ARG CA C 24 59.055 59.175 -0.120 1
1 225 . 7 1 1 A 24 24 ARG CB C 24 29.623 29.930 -0.307 1
1 228 . 7 1 1 A 24 24 ARG N N 24 120.100 118.592 1.508 1
1 229 . 7 1 1 A 25 25 GLN H H 25 7.940 7.685 0.255 1
1 230 . 7 1 1 A 25 25 GLN HA H 25 3.706 3.976 -0.270 1
1 237 . 7 1 1 A 25 25 GLN C C 25 177.078 177.788 -0.710 1
1 238 . 7 1 1 A 25 25 GLN CA C 25 58.104 58.673 -0.569 1
1 239 . 7 1 1 A 25 25 GLN CB C 25 28.294 28.144 0.150 1
1 241 . 7 1 1 A 25 25 GLN N N 25 118.586 119.705 -1.119 1
1 243 . 7 1 1 A 26 26 LEU H H 26 7.843 7.868 -0.025 1
1 244 . 7 1 1 A 26 26 LEU HA H 26 4.182 3.986 0.196 1
1 254 . 7 1 1 A 26 26 LEU C C 26 178.116 178.569 -0.453 1
1 255 . 7 1 1 A 26 26 LEU CA C 26 57.867 57.640 0.227 1
1 256 . 7 1 1 A 26 26 LEU CB C 26 41.167 41.191 -0.024 1
1 259 . 7 1 1 A 26 26 LEU N N 26 119.570 121.471 -1.901 1
1 260 . 7 1 1 A 27 27 SER H H 27 7.710 7.603 0.107 1
1 261 . 7 1 1 A 27 27 SER HA H 27 3.869 4.283 -0.414 1
1 264 . 7 1 1 A 27 27 SER C C 27 176.845 177.569 -0.724 1
1 265 . 7 1 1 A 27 27 SER CA C 27 61.478 61.386 0.092 1
1 266 . 7 1 1 A 27 27 SER CB C 27 62.828 63.045 -0.217 1
1 267 . 7 1 1 A 27 27 SER N N 27 112.126 114.589 -2.463 1
1 268 . 7 1 1 A 28 28 LEU H H 28 7.613 7.896 -0.283 1
1 269 . 7 1 1 A 28 28 LEU HA H 28 3.954 3.995 -0.041 1
1 279 . 7 1 1 A 28 28 LEU C C 28 180.044 178.787 1.257 1
1 280 . 7 1 1 A 28 28 LEU CA C 28 57.862 57.886 -0.024 1
1 281 . 7 1 1 A 28 28 LEU CB C 28 41.703 41.376 0.327 1
1 285 . 7 1 1 A 28 28 LEU N N 28 120.774 121.715 -0.941 1
1 286 . 7 1 1 A 29 29 ASP H H 29 8.476 7.566 0.910 1
1 287 . 7 1 1 A 29 29 ASP HA H 29 4.236 4.479 -0.243 1
1 290 . 7 1 1 A 29 29 ASP C C 29 179.532 178.922 0.610 1
1 291 . 7 1 1 A 29 29 ASP CA C 29 57.618 56.986 0.632 1
1 292 . 7 1 1 A 29 29 ASP CB C 29 40.447 41.101 -0.654 1
1 293 . 7 1 1 A 29 29 ASP N N 29 120.971 119.239 1.732 1
1 294 . 7 1 1 A 30 30 ILE H H 30 8.558 7.989 0.569 1
1 295 . 7 1 1 A 30 30 ILE HA H 30 3.564 3.603 -0.039 1
1 305 . 7 1 1 A 30 30 ILE C C 30 178.098 178.102 -0.004 1
1 306 . 7 1 1 A 30 30 ILE CA C 30 65.616 65.392 0.224 1
1 307 . 7 1 1 A 30 30 ILE CB C 30 37.697 37.707 -0.010 1
1 311 . 7 1 1 A 30 30 ILE N N 30 120.240 121.442 -1.202 1
1 312 . 7 1 1 A 31 31 ASN H H 31 7.350 8.519 -1.169 1
1 313 . 7 1 1 A 31 31 ASN HA H 31 4.560 4.529 0.031 1
1 318 . 7 1 1 A 31 31 ASN C C 31 175.952 177.373 -1.421 1
1 319 . 7 1 1 A 31 31 ASN CA C 31 54.997 56.425 -1.428 1
1 320 . 7 1 1 A 31 31 ASN CB C 31 38.769 38.357 0.412 1
1 321 . 7 1 1 A 31 31 ASN N N 31 115.285 116.934 -1.649 1
1 323 . 7 1 1 A 32 32 LYS H H 32 7.509 7.796 -0.287 1
1 324 . 7 1 1 A 32 32 LYS HA H 32 4.286 4.392 -0.106 1
1 333 . 7 1 1 A 32 32 LYS C C 32 177.232 177.122 0.110 1
1 334 . 7 1 1 A 32 32 LYS CA C 32 56.330 57.761 -1.431 1
1 335 . 7 1 1 A 32 32 LYS CB C 32 33.570 32.773 0.797 1
1 339 . 7 1 1 A 32 32 LYS N N 32 117.496 117.430 0.066 1
1 340 . 7 1 1 A 33 33 LEU H H 33 7.455 7.480 -0.025 1
1 341 . 7 1 1 A 33 33 LEU HA H 33 4.265 4.438 -0.173 1
1 351 . 7 1 1 A 33 33 LEU CA C 33 53.436 53.091 0.345 1
1 352 . 7 1 1 A 33 33 LEU CB C 33 41.464 41.846 -0.382 1
1 356 . 7 1 1 A 33 33 LEU N N 33 120.501 120.811 -0.310 1
1 357 . 7 1 1 A 34 34 PRO HA H 34 4.561 4.655 -0.094 1
1 364 . 7 1 1 A 34 34 PRO C C 34 178.359 177.451 0.908 1
1 365 . 7 1 1 A 34 34 PRO CA C 34 62.251 62.374 -0.123 1
1 366 . 7 1 1 A 34 34 PRO CB C 34 32.489 32.826 -0.337 1
1 369 . 7 1 1 A 35 35 GLY H H 35 8.865 8.711 0.154 1
1 370 . 7 1 1 A 35 35 GLY HA2 H 35 3.709 3.826 -0.117 1
1 371 . 7 1 1 A 35 35 GLY HA3 H 35 4.005 3.831 0.174 1
1 372 . 7 1 1 A 35 35 GLY C C 35 176.845 175.820 1.025 1
1 373 . 7 1 1 A 35 35 GLY CA C 35 48.165 47.278 0.887 1
1 374 . 7 1 1 A 35 35 GLY N N 35 109.986 109.039 0.947 1
1 375 . 7 1 1 A 36 36 GLU H H 36 9.360 9.058 0.302 1
1 376 . 7 1 1 A 36 36 GLU HA H 36 4.233 4.116 0.117 1
1 381 . 7 1 1 A 36 36 GLU C C 36 178.326 177.265 1.061 1
1 382 . 7 1 1 A 36 36 GLU CA C 36 58.964 58.628 0.336 1
1 383 . 7 1 1 A 36 36 GLU CB C 36 28.689 28.308 0.381 1
1 385 . 7 1 1 A 36 36 GLU N N 36 119.485 120.821 -1.336 1
1 386 . 7 1 1 A 37 37 LYS H H 37 7.734 7.985 -0.251 1
1 387 . 7 1 1 A 37 37 LYS HA H 37 4.516 4.512 0.004 1
1 396 . 7 1 1 A 37 37 LYS C C 37 178.698 177.904 0.794 1
1 397 . 7 1 1 A 37 37 LYS CA C 37 55.977 56.029 -0.052 1
1 398 . 7 1 1 A 37 37 LYS CB C 37 32.981 33.164 -0.183 1
1 402 . 7 1 1 A 37 37 LYS N N 37 116.668 119.148 -2.480 1
1 403 . 7 1 1 A 38 38 LEU H H 38 7.882 7.867 0.015 1
1 404 . 7 1 1 A 38 38 LEU HA H 38 4.103 4.045 0.058 1
1 414 . 7 1 1 A 38 38 LEU C C 38 179.042 178.691 0.351 1
1 415 . 7 1 1 A 38 38 LEU CA C 38 57.832 57.797 0.035 1
1 416 . 7 1 1 A 38 38 LEU CB C 38 41.753 41.868 -0.115 1
1 420 . 7 1 1 A 38 38 LEU N N 38 121.898 122.157 -0.259 1
1 421 . 7 1 1 A 39 39 GLY H H 39 8.212 7.950 0.262 1
1 422 . 7 1 1 A 39 39 GLY HA2 H 39 3.720 3.801 -0.081 1
1 423 . 7 1 1 A 39 39 GLY HA3 H 39 3.853 3.813 0.040 1
1 424 . 7 1 1 A 39 39 GLY C C 39 176.507 175.763 0.744 1
1 425 . 7 1 1 A 39 39 GLY CA C 39 47.218 47.153 0.065 1
1 426 . 7 1 1 A 39 39 GLY N N 39 106.042 106.685 -0.643 1
1 427 . 7 1 1 A 40 40 ARG H H 40 7.416 8.161 -0.745 1
1 428 . 7 1 1 A 40 40 ARG HA H 40 4.031 4.021 0.010 1
1 435 . 7 1 1 A 40 40 ARG C C 40 177.974 178.732 -0.758 1
1 436 . 7 1 1 A 40 40 ARG CA C 40 57.460 58.899 -1.439 1
1 437 . 7 1 1 A 40 40 ARG CB C 40 29.051 29.726 -0.675 1
1 440 . 7 1 1 A 40 40 ARG N N 40 120.046 122.225 -2.179 1
1 441 . 7 1 1 A 41 41 VAL H H 41 7.417 7.905 -0.488 1
1 442 . 7 1 1 A 41 41 VAL HA H 41 3.285 3.411 -0.126 1
1 450 . 7 1 1 A 41 41 VAL C C 41 177.090 177.703 -0.613 1
1 451 . 7 1 1 A 41 41 VAL CA C 41 66.979 66.226 0.753 1
1 452 . 7 1 1 A 41 41 VAL CB C 41 31.059 31.587 -0.528 1
1 455 . 7 1 1 A 41 41 VAL N N 41 119.285 119.871 -0.586 1
1 456 . 7 1 1 A 42 42 VAL H H 42 7.493 7.612 -0.119 1
1 457 . 7 1 1 A 42 42 VAL HA H 42 3.395 3.639 -0.244 1
1 465 . 7 1 1 A 42 42 VAL C C 42 177.200 178.305 -1.105 1
1 466 . 7 1 1 A 42 42 VAL CA C 42 66.764 66.344 0.420 1
1 467 . 7 1 1 A 42 42 VAL CB C 42 31.296 31.367 -0.071 1
1 470 . 7 1 1 A 42 42 VAL N N 42 116.606 119.500 -2.894 1
1 471 . 7 1 1 A 43 43 HIS H H 43 7.602 8.022 -0.420 1
1 472 . 7 1 1 A 43 43 HIS HA H 43 4.264 4.359 -0.095 1
1 477 . 7 1 1 A 43 43 HIS C C 43 178.854 178.095 0.759 1
1 478 . 7 1 1 A 43 43 HIS CA C 43 59.824 59.155 0.669 1
1 479 . 7 1 1 A 43 43 HIS CB C 43 30.605 29.601 1.004 1
1 482 . 7 1 1 A 43 43 HIS N N 43 118.867 117.917 0.950 1
1 483 . 7 1 1 A 44 44 ILE H H 44 8.344 7.862 0.482 1
1 484 . 7 1 1 A 44 44 ILE HA H 44 3.375 3.635 -0.260 1
1 494 . 7 1 1 A 44 44 ILE C C 44 178.054 178.123 -0.069 1
1 495 . 7 1 1 A 44 44 ILE CA C 44 65.922 64.091 1.831 1
1 496 . 7 1 1 A 44 44 ILE CB C 44 37.950 37.609 0.341 1
1 500 . 7 1 1 A 44 44 ILE N N 44 121.530 119.897 1.633 1
1 501 . 7 1 1 A 45 45 ILE H H 45 7.604 7.849 -0.245 1
1 502 . 7 1 1 A 45 45 ILE HA H 45 3.311 3.541 -0.230 1
1 512 . 7 1 1 A 45 45 ILE C C 45 177.378 178.382 -1.004 1
1 513 . 7 1 1 A 45 45 ILE CA C 45 66.577 64.802 1.775 1
1 514 . 7 1 1 A 45 45 ILE CB C 45 38.168 37.405 0.763 1
1 518 . 7 1 1 A 45 45 ILE N N 45 117.572 121.238 -3.666 1
1 519 . 7 1 1 A 46 46 GLN H H 46 8.626 8.160 0.466 1
1 520 . 7 1 1 A 46 46 GLN HA H 46 3.719 3.994 -0.275 1
1 527 . 7 1 1 A 46 46 GLN C C 46 177.483 178.281 -0.798 1
1 528 . 7 1 1 A 46 46 GLN CA C 46 59.443 58.392 1.051 1
1 529 . 7 1 1 A 46 46 GLN CB C 46 28.832 28.460 0.372 1
1 531 . 7 1 1 A 46 46 GLN N N 46 115.916 119.349 -3.433 1
1 533 . 7 1 1 A 47 47 SER H H 47 7.862 7.732 0.130 1
1 534 . 7 1 1 A 47 47 SER HA H 47 4.064 4.292 -0.228 1
1 537 . 7 1 1 A 47 47 SER C C 47 175.615 177.335 -1.720 1
1 538 . 7 1 1 A 47 47 SER CA C 47 60.602 61.260 -0.658 1
1 539 . 7 1 1 A 47 47 SER CB C 47 63.313 62.778 0.535 1
1 540 . 7 1 1 A 47 47 SER N N 47 110.902 115.640 -4.738 1
1 541 . 7 1 1 A 48 48 ARG H H 48 7.362 7.634 -0.272 1
1 542 . 7 1 1 A 48 48 ARG HA H 48 4.306 4.249 0.057 1
1 549 . 7 1 1 A 48 48 ARG C C 48 176.365 176.220 0.145 1
1 550 . 7 1 1 A 48 48 ARG CA C 48 55.992 58.542 -2.550 1
1 551 . 7 1 1 A 48 48 ARG CB C 48 33.000 30.613 2.387 1
1 554 . 7 1 1 A 48 48 ARG N N 48 118.403 119.863 -1.460 1
1 555 . 7 1 1 A 49 49 GLU H H 49 7.714 8.097 -0.383 1
1 556 . 7 1 1 A 49 49 GLU HA H 49 4.806 4.751 0.055 1
1 561 . 7 1 1 A 49 49 GLU C C 49 174.213 175.044 -0.831 1
1 562 . 7 1 1 A 49 49 GLU CA C 49 52.903 52.895 0.008 1
1 563 . 7 1 1 A 49 49 GLU CB C 49 28.835 30.533 -1.698 1
1 565 . 7 1 1 A 49 49 GLU N N 49 118.387 118.547 -0.160 1
1 566 . 7 1 1 A 50 50 PRO HA H 50 4.273 4.264 0.009 1
1 573 . 7 1 1 A 50 50 PRO C C 50 178.412 177.717 0.695 1
1 574 . 7 1 1 A 50 50 PRO CA C 50 64.641 64.907 -0.266 1
1 575 . 7 1 1 A 50 50 PRO CB C 50 32.045 32.114 -0.069 1
1 578 . 7 1 1 A 51 51 SER H H 51 8.290 8.188 0.102 1
1 579 . 7 1 1 A 51 51 SER HA H 51 4.271 4.366 -0.095 1
1 582 . 7 1 1 A 51 51 SER C C 51 175.130 175.142 -0.012 1
1 583 . 7 1 1 A 51 51 SER CA C 51 59.824 59.974 -0.150 1
1 584 . 7 1 1 A 51 51 SER CB C 51 63.071 62.846 0.225 1
1 585 . 7 1 1 A 51 51 SER N N 51 112.214 111.982 0.232 1
1 586 . 7 1 1 A 52 52 LEU H H 52 7.882 7.385 0.497 1
1 587 . 7 1 1 A 52 52 LEU HA H 52 4.479 4.291 0.188 1
1 597 . 7 1 1 A 52 52 LEU C C 52 177.843 176.504 1.339 1
1 598 . 7 1 1 A 52 52 LEU CA C 52 54.734 54.310 0.424 1
1 599 . 7 1 1 A 52 52 LEU CB C 52 42.500 41.468 1.032 1
1 603 . 7 1 1 A 52 52 LEU N N 52 121.800 119.047 2.753 1
1 604 . 7 1 1 A 53 53 LYS H H 53 7.638 7.571 0.067 1
1 605 . 7 1 1 A 53 53 LYS HA H 53 4.022 3.828 0.194 1
1 614 . 7 1 1 A 53 53 LYS C C 53 176.270 177.220 -0.950 1
1 615 . 7 1 1 A 53 53 LYS CA C 53 58.288 56.861 1.427 1
1 616 . 7 1 1 A 53 53 LYS CB C 53 32.924 32.811 0.113 1
1 620 . 7 1 1 A 53 53 LYS N N 53 121.559 121.633 -0.074 1
1 621 . 7 1 1 A 54 54 ASN H H 54 8.266 8.860 -0.594 1
1 622 . 7 1 1 A 54 54 ASN HA H 54 4.732 4.353 0.379 1
1 627 . 7 1 1 A 54 54 ASN C C 54 175.097 174.779 0.318 1
1 628 . 7 1 1 A 54 54 ASN CA C 54 53.020 55.158 -2.138 1
1 629 . 7 1 1 A 54 54 ASN CB C 54 38.863 36.507 2.356 1
1 630 . 7 1 1 A 54 54 ASN N N 54 116.053 119.315 -3.262 1
1 632 . 7 1 1 A 55 55 SER H H 55 7.692 7.837 -0.145 1
1 633 . 7 1 1 A 55 55 SER HA H 55 4.288 4.609 -0.321 1
1 636 . 7 1 1 A 55 55 SER C C 55 173.418 173.702 -0.284 1
1 637 . 7 1 1 A 55 55 SER CA C 55 58.900 58.767 0.133 1
1 638 . 7 1 1 A 55 55 SER CB C 55 63.914 64.699 -0.785 1
1 639 . 7 1 1 A 55 55 SER N N 55 115.901 116.321 -0.420 1
1 640 . 7 1 1 A 56 56 ASN H H 56 8.574 8.533 0.041 1
1 641 . 7 1 1 A 56 56 ASN HA H 56 4.857 4.981 -0.124 1
1 646 . 7 1 1 A 56 56 ASN C C 56 174.843 175.531 -0.688 1
1 647 . 7 1 1 A 56 56 ASN CA C 56 50.974 51.269 -0.295 1
1 648 . 7 1 1 A 56 56 ASN CB C 56 38.744 39.916 -1.172 1
1 649 . 7 1 1 A 56 56 ASN N N 56 122.245 121.729 0.516 1
1 651 . 7 1 1 A 57 57 PRO HA H 57 4.079 4.307 -0.228 1
1 658 . 7 1 1 A 57 57 PRO C C 57 176.856 177.484 -0.628 1
1 659 . 7 1 1 A 57 57 PRO CA C 57 64.733 64.982 -0.249 1
1 660 . 7 1 1 A 57 57 PRO CB C 57 31.968 31.967 0.001 1
1 663 . 7 1 1 A 58 58 ASP H H 58 8.024 8.531 -0.507 1
1 664 . 7 1 1 A 58 58 ASP HA H 58 4.445 4.546 -0.101 1
1 667 . 7 1 1 A 58 58 ASP C C 58 176.369 177.172 -0.803 1
1 668 . 7 1 1 A 58 58 ASP CA C 58 55.247 55.360 -0.113 1
1 669 . 7 1 1 A 58 58 ASP CB C 58 40.828 40.390 0.438 1
1 670 . 7 1 1 A 58 58 ASP N N 58 114.883 116.655 -1.772 1
1 671 . 7 1 1 A 59 59 GLU H H 59 7.663 7.712 -0.049 1
1 672 . 7 1 1 A 59 59 GLU HA H 59 4.341 4.449 -0.108 1
1 677 . 7 1 1 A 59 59 GLU C C 59 175.690 175.021 0.669 1
1 678 . 7 1 1 A 59 59 GLU CA C 59 55.425 55.739 -0.314 1
1 679 . 7 1 1 A 59 59 GLU CB C 59 31.140 30.860 0.280 1
1 681 . 7 1 1 A 59 59 GLU N N 59 117.763 117.198 0.565 1
1 682 . 7 1 1 A 60 60 ILE H H 60 7.457 7.518 -0.061 1
1 683 . 7 1 1 A 60 60 ILE HA H 60 3.962 4.328 -0.366 1
1 693 . 7 1 1 A 60 60 ILE C C 60 174.951 175.460 -0.509 1
1 694 . 7 1 1 A 60 60 ILE CA C 60 61.416 60.790 0.626 1
1 695 . 7 1 1 A 60 60 ILE CB C 60 38.693 38.609 0.084 1
1 699 . 7 1 1 A 60 60 ILE N N 60 120.600 120.979 -0.379 1
1 700 . 7 1 1 A 61 61 GLU H H 61 8.267 8.489 -0.222 1
1 701 . 7 1 1 A 61 61 GLU HA H 61 4.333 4.547 -0.214 1
1 706 . 7 1 1 A 61 61 GLU C C 61 175.576 176.033 -0.457 1
1 707 . 7 1 1 A 61 61 GLU CA C 61 55.085 55.862 -0.777 1
1 708 . 7 1 1 A 61 61 GLU CB C 61 30.717 30.552 0.165 1
1 710 . 7 1 1 A 61 61 GLU N N 61 126.935 126.992 -0.057 1
1 711 . 7 1 1 A 62 62 ILE H H 62 8.425 8.694 -0.269 1
1 712 . 7 1 1 A 62 62 ILE HA H 62 3.570 4.484 -0.914 1
1 722 . 7 1 1 A 62 62 ILE C C 62 174.594 174.221 0.373 1
1 723 . 7 1 1 A 62 62 ILE CA C 62 61.570 60.212 1.358 1
1 724 . 7 1 1 A 62 62 ILE CB C 62 38.187 37.958 0.229 1
1 728 . 7 1 1 A 62 62 ILE N N 62 124.857 124.738 0.119 1
1 729 . 7 1 1 A 63 63 ASP H H 63 8.459 9.060 -0.601 1
1 730 . 7 1 1 A 63 63 ASP HA H 63 4.691 5.000 -0.309 1
1 733 . 7 1 1 A 63 63 ASP C C 63 177.284 176.085 1.199 1
1 734 . 7 1 1 A 63 63 ASP CA C 63 52.272 52.781 -0.509 1
1 735 . 7 1 1 A 63 63 ASP CB C 63 41.160 43.169 -2.009 1
1 736 . 7 1 1 A 63 63 ASP N N 63 126.597 128.078 -1.481 1
1 737 . 7 1 1 A 64 64 PHE H H 64 8.609 8.468 0.141 1
1 738 . 7 1 1 A 64 64 PHE HA H 64 4.016 4.478 -0.462 1
1 746 . 7 1 1 A 64 64 PHE C C 64 177.010 176.091 0.919 1
1 747 . 7 1 1 A 64 64 PHE CA C 64 59.795 59.520 0.275 1
1 748 . 7 1 1 A 64 64 PHE CB C 64 38.084 38.490 -0.406 1
1 754 . 7 1 1 A 64 64 PHE N N 64 123.270 123.021 0.249 1
1 755 . 7 1 1 A 65 65 GLU H H 65 8.317 8.339 -0.022 1
1 756 . 7 1 1 A 65 65 GLU HA H 65 4.171 4.371 -0.200 1
1 761 . 7 1 1 A 65 65 GLU C C 65 177.913 177.586 0.327 1
1 762 . 7 1 1 A 65 65 GLU CA C 65 57.524 57.438 0.086 1
1 763 . 7 1 1 A 65 65 GLU CB C 65 29.440 30.195 -0.755 1
1 765 . 7 1 1 A 65 65 GLU N N 65 114.355 116.456 -2.101 1
1 766 . 7 1 1 A 66 66 THR H H 66 7.388 7.640 -0.252 1
1 767 . 7 1 1 A 66 66 THR HA H 66 4.396 4.564 -0.168 1
1 772 . 7 1 1 A 66 66 THR C C 66 174.662 174.748 -0.086 1
1 773 . 7 1 1 A 66 66 THR CA C 66 61.316 62.063 -0.747 1
1 774 . 7 1 1 A 66 66 THR CB C 66 69.711 70.537 -0.826 1
1 776 . 7 1 1 A 66 66 THR N N 66 106.424 107.768 -1.344 1
1 777 . 7 1 1 A 67 67 LEU H H 67 6.677 7.104 -0.427 1
1 778 . 7 1 1 A 67 67 LEU HA H 67 4.350 4.216 0.134 1
1 788 . 7 1 1 A 67 67 LEU C C 67 176.647 177.213 -0.566 1
1 789 . 7 1 1 A 67 67 LEU CA C 67 54.104 55.261 -1.157 1
1 790 . 7 1 1 A 67 67 LEU CB C 67 43.365 42.379 0.986 1
1 794 . 7 1 1 A 67 67 LEU N N 67 120.589 123.975 -3.386 1
1 795 . 7 1 1 A 68 68 LYS H H 68 9.947 8.864 1.083 1
1 796 . 7 1 1 A 68 68 LYS HA H 68 4.387 4.484 -0.097 1
1 805 . 7 1 1 A 68 68 LYS C C 68 176.786 176.796 -0.010 1
1 806 . 7 1 1 A 68 68 LYS CA C 68 55.574 54.366 1.208 1
1 807 . 7 1 1 A 68 68 LYS CB C 68 31.897 31.818 0.079 1
1 811 . 7 1 1 A 68 68 LYS N N 68 123.363 121.995 1.368 1
1 812 . 7 1 1 A 69 69 PRO HA H 69 4.091 4.310 -0.219 1
1 819 . 7 1 1 A 69 69 PRO C C 69 178.646 177.951 0.695 1
1 820 . 7 1 1 A 69 69 PRO CA C 69 66.153 65.376 0.777 1
1 821 . 7 1 1 A 69 69 PRO CB C 69 31.985 31.763 0.222 1
1 824 . 7 1 1 A 70 70 SER H H 70 8.490 8.210 0.280 1
1 825 . 7 1 1 A 70 70 SER HA H 70 4.231 4.309 -0.078 1
1 828 . 7 1 1 A 70 70 SER C C 70 177.784 177.451 0.333 1
1 829 . 7 1 1 A 70 70 SER CA C 70 60.787 60.552 0.235 1
1 830 . 7 1 1 A 70 70 SER CB C 70 61.797 63.210 -1.413 1
1 831 . 7 1 1 A 70 70 SER N N 70 109.802 112.045 -2.243 1
1 832 . 7 1 1 A 71 71 THR H H 71 7.340 7.717 -0.377 1
1 833 . 7 1 1 A 71 71 THR HA H 71 3.735 3.991 -0.256 1
1 838 . 7 1 1 A 71 71 THR C C 71 176.072 176.305 -0.233 1
1 839 . 7 1 1 A 71 71 THR CA C 71 65.913 67.094 -1.181 1
1 840 . 7 1 1 A 71 71 THR CB C 71 67.239 68.514 -1.275 1
1 842 . 7 1 1 A 71 71 THR N N 71 122.295 117.983 4.312 1
1 843 . 7 1 1 A 72 72 LEU H H 72 7.839 8.195 -0.356 1
1 844 . 7 1 1 A 72 72 LEU HA H 72 3.713 3.915 -0.202 1
1 854 . 7 1 1 A 72 72 LEU C C 72 178.998 179.261 -0.263 1
1 855 . 7 1 1 A 72 72 LEU CA C 72 58.622 57.888 0.734 1
1 856 . 7 1 1 A 72 72 LEU CB C 72 40.911 41.373 -0.462 1
1 859 . 7 1 1 A 72 72 LEU N N 72 120.539 120.265 0.274 1
1 860 . 7 1 1 A 73 73 ARG H H 73 8.244 7.966 0.278 1
1 861 . 7 1 1 A 73 73 ARG HA H 73 4.100 3.825 0.275 1
1 869 . 7 1 1 A 73 73 ARG C C 73 178.935 178.349 0.586 1
1 870 . 7 1 1 A 73 73 ARG CA C 73 57.649 59.556 -1.907 1
1 871 . 7 1 1 A 73 73 ARG CB C 73 28.923 29.925 -1.002 1
1 874 . 7 1 1 A 73 73 ARG N N 73 115.473 120.333 -4.860 1
1 876 . 7 1 1 A 74 74 GLU H H 74 7.758 7.686 0.072 1
1 877 . 7 1 1 A 74 74 GLU HA H 74 4.139 4.085 0.054 1
1 882 . 7 1 1 A 74 74 GLU C C 74 179.640 179.463 0.177 1
1 883 . 7 1 1 A 74 74 GLU CA C 74 59.519 59.227 0.292 1
1 884 . 7 1 1 A 74 74 GLU CB C 74 28.670 29.452 -0.782 1
1 886 . 7 1 1 A 74 74 GLU N N 74 122.400 119.518 2.882 1
1 887 . 7 1 1 A 75 75 LEU H H 75 8.387 7.843 0.544 1
1 888 . 7 1 1 A 75 75 LEU HA H 75 4.070 3.968 0.102 1
1 898 . 7 1 1 A 75 75 LEU C C 75 178.024 178.857 -0.833 1
1 899 . 7 1 1 A 75 75 LEU CA C 75 58.147 57.941 0.206 1
1 900 . 7 1 1 A 75 75 LEU CB C 75 42.673 41.364 1.309 1
1 904 . 7 1 1 A 75 75 LEU N N 75 119.699 120.764 -1.065 1
1 905 . 7 1 1 A 76 76 GLU H H 76 8.537 8.398 0.139 1
1 906 . 7 1 1 A 76 76 GLU HA H 76 3.751 3.865 -0.114 1
1 911 . 7 1 1 A 76 76 GLU C C 76 178.799 178.986 -0.187 1
1 912 . 7 1 1 A 76 76 GLU CA C 76 59.871 59.993 -0.122 1
1 913 . 7 1 1 A 76 76 GLU CB C 76 30.145 29.181 0.964 1
1 915 . 7 1 1 A 76 76 GLU N N 76 120.074 119.432 0.642 1
1 916 . 7 1 1 A 77 77 ARG H H 77 8.032 7.518 0.514 1
1 917 . 7 1 1 A 77 77 ARG HA H 77 3.934 4.051 -0.117 1
1 924 . 7 1 1 A 77 77 ARG C C 77 179.220 178.197 1.023 1
1 925 . 7 1 1 A 77 77 ARG CA C 77 59.974 58.950 1.024 1
1 926 . 7 1 1 A 77 77 ARG CB C 77 30.413 29.637 0.776 1
1 929 . 7 1 1 A 77 77 ARG N N 77 120.100 120.145 -0.045 1
1 930 . 7 1 1 A 78 78 TYR H H 78 8.084 7.832 0.252 1
1 931 . 7 1 1 A 78 78 TYR HA H 78 4.260 4.178 0.082 1
1 938 . 7 1 1 A 78 78 TYR C C 78 178.620 177.262 1.358 1
1 939 . 7 1 1 A 78 78 TYR CA C 78 61.507 61.270 0.237 1
1 940 . 7 1 1 A 78 78 TYR CB C 78 38.440 38.576 -0.136 1
1 945 . 7 1 1 A 78 78 TYR N N 78 120.327 120.960 -0.633 1
1 946 . 7 1 1 A 79 79 VAL H H 79 9.136 8.009 1.127 1
1 947 . 7 1 1 A 79 79 VAL HA H 79 3.161 3.785 -0.624 1
1 955 . 7 1 1 A 79 79 VAL C C 79 178.067 178.306 -0.239 1
1 956 . 7 1 1 A 79 79 VAL CA C 79 67.306 65.596 1.710 1
1 957 . 7 1 1 A 79 79 VAL CB C 79 31.505 31.561 -0.056 1
1 960 . 7 1 1 A 79 79 VAL N N 79 120.576 118.949 1.627 1
1 961 . 7 1 1 A 80 80 THR H H 80 8.297 8.240 0.057 1
1 962 . 7 1 1 A 80 80 THR HA H 80 3.721 3.954 -0.233 1
1 967 . 7 1 1 A 80 80 THR C C 80 176.623 176.294 0.329 1
1 968 . 7 1 1 A 80 80 THR CA C 80 66.823 65.992 0.831 1
1 969 . 7 1 1 A 80 80 THR CB C 80 68.508 68.468 0.040 1
1 971 . 7 1 1 A 80 80 THR N N 80 115.107 117.754 -2.647 1
1 972 . 7 1 1 A 81 81 SER H H 81 7.537 7.896 -0.359 1
1 973 . 7 1 1 A 81 81 SER HA H 81 4.165 4.138 0.027 1
1 976 . 7 1 1 A 81 81 SER C C 81 176.196 176.749 -0.553 1
1 977 . 7 1 1 A 81 81 SER CA C 81 61.371 61.104 0.267 1
1 978 . 7 1 1 A 81 81 SER CB C 81 62.826 63.055 -0.229 1
1 979 . 7 1 1 A 81 81 SER N N 81 116.178 115.852 0.326 1
1 980 . 7 1 1 A 82 82 CYS H H 82 7.523 7.473 0.050 1
1 981 . 7 1 1 A 82 82 CYS HA H 82 4.084 4.002 0.082 1
1 984 . 7 1 1 A 82 82 CYS C C 82 176.363 177.149 -0.786 1
1 985 . 7 1 1 A 82 82 CYS CA C 82 62.173 61.871 0.302 1
1 986 . 7 1 1 A 82 82 CYS CB C 82 27.872 27.039 0.833 1
1 987 . 7 1 1 A 82 82 CYS N N 82 118.207 119.669 -1.462 1
1 988 . 7 1 1 A 83 83 LEU H H 83 7.652 7.690 -0.038 1
1 989 . 7 1 1 A 83 83 LEU HA H 83 4.216 4.174 0.042 1
1 999 . 7 1 1 A 83 83 LEU C C 83 177.349 177.887 -0.538 1
1 1000 . 7 1 1 A 83 83 LEU CA C 83 55.521 57.453 -1.932 1
1 1001 . 7 1 1 A 83 83 LEU CB C 83 42.550 42.714 -0.164 1
1 1005 . 7 1 1 A 83 83 LEU N N 83 118.141 119.572 -1.431 1
1 1006 . 7 1 1 A 84 84 ARG H H 84 7.754 8.075 -0.321 1
1 1007 . 7 1 1 A 84 84 ARG HA H 84 4.153 4.421 -0.268 1
1 1014 . 7 1 1 A 84 84 ARG C C 84 176.300 175.227 1.073 1
1 1015 . 7 1 1 A 84 84 ARG CA C 84 56.829 55.090 1.739 1
1 1016 . 7 1 1 A 84 84 ARG CB C 84 29.926 30.079 -0.153 1
1 1019 . 7 1 1 A 84 84 ARG N N 84 118.881 119.168 -0.287 1
1 1020 . 7 1 1 A 85 85 LYS H H 85 7.904 8.636 -0.732 1
1 1021 . 7 1 1 A 85 85 LYS HA H 85 4.178 4.301 -0.123 1
1 1030 . 7 1 1 A 85 85 LYS C C 85 176.549 175.233 1.316 1
1 1031 . 7 1 1 A 85 85 LYS CA C 85 56.514 57.204 -0.690 1
1 1032 . 7 1 1 A 85 85 LYS CB C 85 32.931 32.569 0.362 1
1 1036 . 7 1 1 A 85 85 LYS N N 85 120.528 128.650 -8.122 1
1 1037 . 7 1 1 A 86 86 LYS H H 86 8.139 8.441 -0.302 1
1 1038 . 7 1 1 A 86 86 LYS HA H 86 4.194 4.704 -0.510 1
1 1047 . 7 1 1 A 86 86 LYS C C 86 176.395 174.997 1.398 1
1 1048 . 7 1 1 A 86 86 LYS CA C 86 56.244 55.235 1.009 1
1 1049 . 7 1 1 A 86 86 LYS CB C 86 32.971 35.459 -2.488 1
1 1053 . 7 1 1 A 86 86 LYS N N 86 121.979 126.655 -4.676 1
1 1054 . 7 1 1 A 87 87 ARG H H 87 8.242 8.469 -0.227 1
1 1055 . 7 1 1 A 87 87 ARG HA H 87 4.223 4.558 -0.335 1
1 1062 . 7 1 1 A 87 87 ARG C C 87 175.989 175.419 0.570 1
1 1063 . 7 1 1 A 87 87 ARG CA C 87 55.953 55.962 -0.009 1
1 1064 . 7 1 1 A 87 87 ARG CB C 87 31.019 31.987 -0.968 1
1 1067 . 7 1 1 A 87 87 ARG N N 87 122.606 125.162 -2.556 1
1 1068 . 7 1 1 A 88 88 LYS H H 88 8.318 8.453 -0.135 1
1 1069 . 7 1 1 A 88 88 LYS HA H 88 4.506 4.840 -0.334 1
1 1074 . 7 1 1 A 88 88 LYS C C 88 174.589 174.105 0.484 1
1 1075 . 7 1 1 A 88 88 LYS CA C 88 54.349 52.966 1.383 1
1 1076 . 7 1 1 A 88 88 LYS CB C 88 32.576 34.503 -1.927 1
1 1077 . 7 1 1 A 88 88 LYS N N 88 124.253 119.404 4.849 1
1 1078 . 7 1 1 A 89 89 PRO HA H 89 4.327 4.646 -0.319 1
1 1085 . 7 1 1 A 89 89 PRO C C 89 176.044 177.110 -1.066 1
1 1086 . 7 1 1 A 89 89 PRO CA C 89 63.489 62.814 0.675 1
1 1087 . 7 1 1 A 89 89 PRO CB C 89 31.921 31.563 0.358 1
1 1 . 8 1 1 A 4 4 GLY C C 4 174.318 173.502 0.816 1
1 2 . 8 1 1 A 4 4 GLY CA C 4 45.318 44.481 0.837 1
1 3 . 8 1 1 A 5 5 SER H H 5 8.211 8.239 -0.028 1
1 4 . 8 1 1 A 5 5 SER HA H 5 4.460 4.627 -0.167 1
1 7 . 8 1 1 A 5 5 SER C C 5 174.891 174.002 0.889 1
1 8 . 8 1 1 A 5 5 SER CA C 5 58.299 58.583 -0.284 1
1 9 . 8 1 1 A 5 5 SER CB C 5 64.052 63.626 0.426 1
1 10 . 8 1 1 A 5 5 SER N N 5 115.510 115.763 -0.253 1
1 11 . 8 1 1 A 6 6 SER H H 6 8.444 8.935 -0.491 1
1 12 . 8 1 1 A 6 6 SER HA H 6 4.428 4.915 -0.487 1
1 15 . 8 1 1 A 6 6 SER C C 6 175.096 172.976 2.120 1
1 16 . 8 1 1 A 6 6 SER CA C 6 58.706 57.673 1.033 1
1 17 . 8 1 1 A 6 6 SER CB C 6 63.920 67.655 -3.735 1
1 18 . 8 1 1 A 6 6 SER N N 6 117.613 123.013 -5.400 1
1 19 . 8 1 1 A 7 7 GLY H H 7 8.359 8.416 -0.057 1
1 20 . 8 1 1 A 7 7 GLY HA2 H 7 3.916 4.200 -0.284 1
1 21 . 8 1 1 A 7 7 GLY HA3 H 7 3.916 4.200 -0.284 1
1 22 . 8 1 1 A 7 7 GLY C C 7 174.309 173.231 1.078 1
1 23 . 8 1 1 A 7 7 GLY CA C 7 45.399 45.792 -0.393 1
1 24 . 8 1 1 A 7 7 GLY N N 7 110.468 108.644 1.824 1
1 25 . 8 1 1 A 8 8 GLU H H 8 8.235 8.729 -0.494 1
1 26 . 8 1 1 A 8 8 GLU HA H 8 4.248 4.304 -0.056 1
1 31 . 8 1 1 A 8 8 GLU C C 8 176.732 176.943 -0.211 1
1 32 . 8 1 1 A 8 8 GLU CA C 8 56.630 55.382 1.248 1
1 33 . 8 1 1 A 8 8 GLU CB C 8 30.243 28.432 1.811 1
1 35 . 8 1 1 A 8 8 GLU N N 8 120.254 122.733 -2.479 1
1 36 . 8 1 1 A 9 9 SER H H 9 8.327 8.436 -0.109 1
1 37 . 8 1 1 A 9 9 SER HA H 9 4.385 4.411 -0.026 1
1 40 . 8 1 1 A 9 9 SER C C 9 174.682 175.088 -0.406 1
1 41 . 8 1 1 A 9 9 SER CA C 9 58.470 57.930 0.540 1
1 42 . 8 1 1 A 9 9 SER CB C 9 63.742 62.620 1.122 1
1 43 . 8 1 1 A 9 9 SER N N 9 116.213 119.368 -3.155 1
1 44 . 8 1 1 A 10 10 GLU H H 10 8.428 8.253 0.175 1
1 45 . 8 1 1 A 10 10 GLU HA H 10 4.232 4.059 0.173 1
1 50 . 8 1 1 A 10 10 GLU C C 10 176.769 178.757 -1.988 1
1 51 . 8 1 1 A 10 10 GLU CA C 10 56.887 59.346 -2.459 1
1 52 . 8 1 1 A 10 10 GLU CB C 10 30.267 29.136 1.131 1
1 54 . 8 1 1 A 10 10 GLU N N 10 122.618 121.523 1.095 1
1 55 . 8 1 1 A 11 11 GLU H H 11 8.315 8.300 0.015 1
1 56 . 8 1 1 A 11 11 GLU HA H 11 4.179 4.008 0.171 1
1 61 . 8 1 1 A 11 11 GLU C C 11 177.182 178.680 -1.498 1
1 62 . 8 1 1 A 11 11 GLU CA C 11 56.896 59.436 -2.540 1
1 63 . 8 1 1 A 11 11 GLU CB C 11 30.317 29.206 1.111 1
1 65 . 8 1 1 A 11 11 GLU N N 11 120.909 119.600 1.309 1
1 66 . 8 1 1 A 12 12 GLU H H 12 8.333 8.750 -0.417 1
1 67 . 8 1 1 A 12 12 GLU HA H 12 4.100 4.152 -0.052 1
1 72 . 8 1 1 A 12 12 GLU C C 12 176.860 176.356 0.504 1
1 73 . 8 1 1 A 12 12 GLU CA C 12 57.495 58.003 -0.508 1
1 74 . 8 1 1 A 12 12 GLU CB C 12 30.221 28.542 1.679 1
1 76 . 8 1 1 A 12 12 GLU N N 12 121.578 118.030 3.548 1
1 77 . 8 1 1 A 13 13 ASP H H 13 8.332 7.991 0.341 1
1 78 . 8 1 1 A 13 13 ASP HA H 13 4.468 4.741 -0.273 1
1 81 . 8 1 1 A 13 13 ASP C C 13 176.833 175.474 1.359 1
1 82 . 8 1 1 A 13 13 ASP CA C 13 54.921 53.517 1.404 1
1 83 . 8 1 1 A 13 13 ASP CB C 13 40.912 41.504 -0.592 1
1 84 . 8 1 1 A 13 13 ASP N N 13 120.147 119.203 0.944 1
1 85 . 8 1 1 A 14 14 LYS H H 14 8.014 7.303 0.711 1
1 86 . 8 1 1 A 14 14 LYS HA H 14 4.204 4.831 -0.627 1
1 95 . 8 1 1 A 14 14 LYS C C 14 176.568 174.797 1.771 1
1 96 . 8 1 1 A 14 14 LYS CA C 14 56.558 54.489 2.069 1
1 97 . 8 1 1 A 14 14 LYS CB C 14 32.598 36.266 -3.668 1
1 101 . 8 1 1 A 14 14 LYS N N 14 120.485 118.445 2.040 1
1 102 . 8 1 1 A 15 15 CYS H H 15 8.013 8.742 -0.729 1
1 103 . 8 1 1 A 15 15 CYS HA H 15 4.304 5.303 -0.999 1
1 106 . 8 1 1 A 15 15 CYS C C 15 173.801 173.391 0.410 1
1 107 . 8 1 1 A 15 15 CYS CA C 15 58.337 58.028 0.309 1
1 108 . 8 1 1 A 15 15 CYS CB C 15 28.061 29.903 -1.842 1
1 109 . 8 1 1 A 15 15 CYS N N 15 118.099 117.919 0.180 1
1 110 . 8 1 1 A 16 16 LYS H H 16 8.287 8.651 -0.364 1
1 111 . 8 1 1 A 16 16 LYS HA H 16 4.491 4.528 -0.037 1
1 120 . 8 1 1 A 16 16 LYS C C 16 175.117 174.550 0.567 1
1 121 . 8 1 1 A 16 16 LYS CA C 16 54.512 54.710 -0.198 1
1 122 . 8 1 1 A 16 16 LYS CB C 16 32.697 31.582 1.115 1
1 124 . 8 1 1 A 16 16 LYS N N 16 125.369 125.803 -0.434 1
1 125 . 8 1 1 A 17 17 PRO HA H 17 4.247 4.680 -0.433 1
1 132 . 8 1 1 A 17 17 PRO C C 17 176.956 175.615 1.341 1
1 133 . 8 1 1 A 17 17 PRO CA C 17 63.088 62.746 0.342 1
1 134 . 8 1 1 A 17 17 PRO CB C 17 32.244 32.666 -0.422 1
1 137 . 8 1 1 A 18 18 MET H H 18 8.516 8.420 0.096 1
1 138 . 8 1 1 A 18 18 MET HA H 18 4.488 4.932 -0.444 1
1 146 . 8 1 1 A 18 18 MET C C 18 176.759 175.490 1.269 1
1 147 . 8 1 1 A 18 18 MET CA C 18 56.169 54.889 1.280 1
1 148 . 8 1 1 A 18 18 MET CB C 18 35.531 35.458 0.073 1
1 151 . 8 1 1 A 18 18 MET N N 18 121.801 120.504 1.297 1
1 152 . 8 1 1 A 19 19 SER H H 19 9.100 8.981 0.119 1
1 153 . 8 1 1 A 19 19 SER HA H 19 4.459 4.649 -0.190 1
1 156 . 8 1 1 A 19 19 SER C C 19 175.018 175.436 -0.418 1
1 157 . 8 1 1 A 19 19 SER CA C 19 56.894 58.259 -1.365 1
1 158 . 8 1 1 A 19 19 SER CB C 19 65.854 64.649 1.205 1
1 159 . 8 1 1 A 19 19 SER N N 19 119.212 120.290 -1.078 1
1 160 . 8 1 1 A 20 20 TYR H H 20 8.959 9.229 -0.270 1
1 161 . 8 1 1 A 20 20 TYR HA H 20 4.029 4.166 -0.137 1
1 168 . 8 1 1 A 20 20 TYR C C 20 177.960 177.345 0.615 1
1 169 . 8 1 1 A 20 20 TYR CA C 20 62.463 62.452 0.011 1
1 170 . 8 1 1 A 20 20 TYR CB C 20 38.009 38.699 -0.690 1
1 175 . 8 1 1 A 20 20 TYR N N 20 121.218 124.340 -3.122 1
1 176 . 8 1 1 A 21 21 GLU H H 21 8.825 8.186 0.639 1
1 177 . 8 1 1 A 21 21 GLU HA H 21 3.811 3.554 0.257 1
1 182 . 8 1 1 A 21 21 GLU C C 21 179.481 179.051 0.430 1
1 183 . 8 1 1 A 21 21 GLU CA C 21 59.951 59.798 0.153 1
1 184 . 8 1 1 A 21 21 GLU CB C 21 28.823 29.233 -0.410 1
1 186 . 8 1 1 A 21 21 GLU N N 21 118.696 117.511 1.185 1
1 187 . 8 1 1 A 22 22 GLU H H 22 7.771 8.011 -0.240 1
1 188 . 8 1 1 A 22 22 GLU HA H 22 3.899 4.053 -0.154 1
1 193 . 8 1 1 A 22 22 GLU C C 22 179.680 179.325 0.355 1
1 194 . 8 1 1 A 22 22 GLU CA C 22 59.498 58.948 0.550 1
1 195 . 8 1 1 A 22 22 GLU CB C 22 30.385 29.585 0.800 1
1 197 . 8 1 1 A 22 22 GLU N N 22 120.141 120.073 0.068 1
1 198 . 8 1 1 A 23 23 LYS H H 23 8.101 7.787 0.314 1
1 199 . 8 1 1 A 23 23 LYS HA H 23 3.662 3.838 -0.176 1
1 208 . 8 1 1 A 23 23 LYS C C 23 178.250 179.015 -0.765 1
1 209 . 8 1 1 A 23 23 LYS CA C 23 60.345 59.760 0.585 1
1 210 . 8 1 1 A 23 23 LYS CB C 23 32.611 32.184 0.427 1
1 214 . 8 1 1 A 23 23 LYS N N 23 120.594 119.376 1.218 1
1 215 . 8 1 1 A 24 24 ARG H H 24 8.030 7.840 0.190 1
1 216 . 8 1 1 A 24 24 ARG HA H 24 3.721 3.930 -0.209 1
1 223 . 8 1 1 A 24 24 ARG C C 24 178.992 178.768 0.224 1
1 224 . 8 1 1 A 24 24 ARG CA C 24 59.055 59.207 -0.152 1
1 225 . 8 1 1 A 24 24 ARG CB C 24 29.623 29.884 -0.261 1
1 228 . 8 1 1 A 24 24 ARG N N 24 120.100 118.751 1.349 1
1 229 . 8 1 1 A 25 25 GLN H H 25 7.940 7.683 0.257 1
1 230 . 8 1 1 A 25 25 GLN HA H 25 3.706 3.941 -0.235 1
1 237 . 8 1 1 A 25 25 GLN C C 25 177.078 177.757 -0.679 1
1 238 . 8 1 1 A 25 25 GLN CA C 25 58.104 58.649 -0.545 1
1 239 . 8 1 1 A 25 25 GLN CB C 25 28.294 28.047 0.247 1
1 241 . 8 1 1 A 25 25 GLN N N 25 118.586 119.701 -1.115 1
1 243 . 8 1 1 A 26 26 LEU H H 26 7.843 7.993 -0.150 1
1 244 . 8 1 1 A 26 26 LEU HA H 26 4.182 3.963 0.219 1
1 254 . 8 1 1 A 26 26 LEU C C 26 178.116 178.421 -0.305 1
1 255 . 8 1 1 A 26 26 LEU CA C 26 57.867 57.626 0.241 1
1 256 . 8 1 1 A 26 26 LEU CB C 26 41.167 41.030 0.137 1
1 259 . 8 1 1 A 26 26 LEU N N 26 119.570 121.445 -1.875 1
1 260 . 8 1 1 A 27 27 SER H H 27 7.710 7.394 0.316 1
1 261 . 8 1 1 A 27 27 SER HA H 27 3.869 4.141 -0.272 1
1 264 . 8 1 1 A 27 27 SER C C 27 176.845 177.563 -0.718 1
1 265 . 8 1 1 A 27 27 SER CA C 27 61.478 61.311 0.167 1
1 266 . 8 1 1 A 27 27 SER CB C 27 62.828 62.836 -0.008 1
1 267 . 8 1 1 A 27 27 SER N N 27 112.126 114.374 -2.248 1
1 268 . 8 1 1 A 28 28 LEU H H 28 7.613 8.082 -0.469 1
1 269 . 8 1 1 A 28 28 LEU HA H 28 3.954 3.971 -0.017 1
1 279 . 8 1 1 A 28 28 LEU C C 28 180.044 178.863 1.181 1
1 280 . 8 1 1 A 28 28 LEU CA C 28 57.862 58.005 -0.143 1
1 281 . 8 1 1 A 28 28 LEU CB C 28 41.703 41.473 0.230 1
1 285 . 8 1 1 A 28 28 LEU N N 28 120.774 121.835 -1.061 1
1 286 . 8 1 1 A 29 29 ASP H H 29 8.476 7.965 0.511 1
1 287 . 8 1 1 A 29 29 ASP HA H 29 4.236 4.489 -0.253 1
1 290 . 8 1 1 A 29 29 ASP C C 29 179.532 178.961 0.571 1
1 291 . 8 1 1 A 29 29 ASP CA C 29 57.618 57.459 0.159 1
1 292 . 8 1 1 A 29 29 ASP CB C 29 40.447 40.993 -0.546 1
1 293 . 8 1 1 A 29 29 ASP N N 29 120.971 119.090 1.881 1
1 294 . 8 1 1 A 30 30 ILE H H 30 8.558 8.133 0.425 1
1 295 . 8 1 1 A 30 30 ILE HA H 30 3.564 3.824 -0.260 1
1 305 . 8 1 1 A 30 30 ILE C C 30 178.098 178.028 0.070 1
1 306 . 8 1 1 A 30 30 ILE CA C 30 65.616 64.735 0.881 1
1 307 . 8 1 1 A 30 30 ILE CB C 30 37.697 37.449 0.248 1
1 311 . 8 1 1 A 30 30 ILE N N 30 120.240 121.162 -0.922 1
1 312 . 8 1 1 A 31 31 ASN H H 31 7.350 8.010 -0.660 1
1 313 . 8 1 1 A 31 31 ASN HA H 31 4.560 4.582 -0.022 1
1 318 . 8 1 1 A 31 31 ASN C C 31 175.952 177.006 -1.054 1
1 319 . 8 1 1 A 31 31 ASN CA C 31 54.997 56.294 -1.297 1
1 320 . 8 1 1 A 31 31 ASN CB C 31 38.769 38.245 0.524 1
1 321 . 8 1 1 A 31 31 ASN N N 31 115.285 120.286 -5.001 1
1 323 . 8 1 1 A 32 32 LYS H H 32 7.509 7.592 -0.083 1
1 324 . 8 1 1 A 32 32 LYS HA H 32 4.286 4.340 -0.054 1
1 333 . 8 1 1 A 32 32 LYS C C 32 177.232 176.943 0.289 1
1 334 . 8 1 1 A 32 32 LYS CA C 32 56.330 57.370 -1.040 1
1 335 . 8 1 1 A 32 32 LYS CB C 32 33.570 32.750 0.820 1
1 339 . 8 1 1 A 32 32 LYS N N 32 117.496 117.205 0.291 1
1 340 . 8 1 1 A 33 33 LEU H H 33 7.455 7.030 0.425 1
1 341 . 8 1 1 A 33 33 LEU HA H 33 4.265 4.417 -0.152 1
1 351 . 8 1 1 A 33 33 LEU CA C 33 53.436 53.382 0.054 1
1 352 . 8 1 1 A 33 33 LEU CB C 33 41.464 41.429 0.035 1
1 356 . 8 1 1 A 33 33 LEU N N 33 120.501 120.934 -0.433 1
1 357 . 8 1 1 A 34 34 PRO HA H 34 4.561 4.713 -0.152 1
1 364 . 8 1 1 A 34 34 PRO C C 34 178.359 177.639 0.720 1
1 365 . 8 1 1 A 34 34 PRO CA C 34 62.251 62.213 0.038 1
1 366 . 8 1 1 A 34 34 PRO CB C 34 32.489 32.877 -0.388 1
1 369 . 8 1 1 A 35 35 GLY H H 35 8.865 8.739 0.126 1
1 370 . 8 1 1 A 35 35 GLY HA2 H 35 3.709 3.817 -0.108 1
1 371 . 8 1 1 A 35 35 GLY HA3 H 35 4.005 3.819 0.186 1
1 372 . 8 1 1 A 35 35 GLY C C 35 176.845 175.822 1.023 1
1 373 . 8 1 1 A 35 35 GLY CA C 35 48.165 47.241 0.924 1
1 374 . 8 1 1 A 35 35 GLY N N 35 109.986 109.209 0.777 1
1 375 . 8 1 1 A 36 36 GLU H H 36 9.360 9.060 0.300 1
1 376 . 8 1 1 A 36 36 GLU HA H 36 4.233 4.104 0.129 1
1 381 . 8 1 1 A 36 36 GLU C C 36 178.326 177.443 0.883 1
1 382 . 8 1 1 A 36 36 GLU CA C 36 58.964 58.611 0.353 1
1 383 . 8 1 1 A 36 36 GLU CB C 36 28.689 28.295 0.394 1
1 385 . 8 1 1 A 36 36 GLU N N 36 119.485 120.595 -1.110 1
1 386 . 8 1 1 A 37 37 LYS H H 37 7.734 7.928 -0.194 1
1 387 . 8 1 1 A 37 37 LYS HA H 37 4.516 4.510 0.006 1
1 396 . 8 1 1 A 37 37 LYS C C 37 178.698 177.878 0.820 1
1 397 . 8 1 1 A 37 37 LYS CA C 37 55.977 56.237 -0.260 1
1 398 . 8 1 1 A 37 37 LYS CB C 37 32.981 33.786 -0.805 1
1 402 . 8 1 1 A 37 37 LYS N N 37 116.668 119.239 -2.571 1
1 403 . 8 1 1 A 38 38 LEU H H 38 7.882 8.027 -0.145 1
1 404 . 8 1 1 A 38 38 LEU HA H 38 4.103 3.980 0.123 1
1 414 . 8 1 1 A 38 38 LEU C C 38 179.042 178.593 0.449 1
1 415 . 8 1 1 A 38 38 LEU CA C 38 57.832 57.939 -0.107 1
1 416 . 8 1 1 A 38 38 LEU CB C 38 41.753 41.824 -0.071 1
1 420 . 8 1 1 A 38 38 LEU N N 38 121.898 122.117 -0.219 1
1 421 . 8 1 1 A 39 39 GLY H H 39 8.212 7.690 0.522 1
1 422 . 8 1 1 A 39 39 GLY HA2 H 39 3.720 3.850 -0.130 1
1 423 . 8 1 1 A 39 39 GLY HA3 H 39 3.853 3.881 -0.028 1
1 424 . 8 1 1 A 39 39 GLY C C 39 176.507 174.934 1.573 1
1 425 . 8 1 1 A 39 39 GLY CA C 39 47.218 46.508 0.710 1
1 426 . 8 1 1 A 39 39 GLY N N 39 106.042 106.023 0.019 1
1 427 . 8 1 1 A 40 40 ARG H H 40 7.416 7.747 -0.331 1
1 428 . 8 1 1 A 40 40 ARG HA H 40 4.031 4.103 -0.072 1
1 435 . 8 1 1 A 40 40 ARG C C 40 177.974 178.710 -0.736 1
1 436 . 8 1 1 A 40 40 ARG CA C 40 57.460 58.188 -0.728 1
1 437 . 8 1 1 A 40 40 ARG CB C 40 29.051 29.767 -0.716 1
1 440 . 8 1 1 A 40 40 ARG N N 40 120.046 120.819 -0.773 1
1 441 . 8 1 1 A 41 41 VAL H H 41 7.417 7.894 -0.477 1
1 442 . 8 1 1 A 41 41 VAL HA H 41 3.285 3.474 -0.189 1
1 450 . 8 1 1 A 41 41 VAL C C 41 177.090 177.607 -0.517 1
1 451 . 8 1 1 A 41 41 VAL CA C 41 66.979 66.345 0.634 1
1 452 . 8 1 1 A 41 41 VAL CB C 41 31.059 31.575 -0.516 1
1 455 . 8 1 1 A 41 41 VAL N N 41 119.285 119.728 -0.443 1
1 456 . 8 1 1 A 42 42 VAL H H 42 7.493 7.598 -0.105 1
1 457 . 8 1 1 A 42 42 VAL HA H 42 3.395 3.609 -0.214 1
1 465 . 8 1 1 A 42 42 VAL C C 42 177.200 177.761 -0.561 1
1 466 . 8 1 1 A 42 42 VAL CA C 42 66.764 65.291 1.473 1
1 467 . 8 1 1 A 42 42 VAL CB C 42 31.296 31.050 0.246 1
1 470 . 8 1 1 A 42 42 VAL N N 42 116.606 120.479 -3.873 1
1 471 . 8 1 1 A 43 43 HIS H H 43 7.602 7.656 -0.054 1
1 472 . 8 1 1 A 43 43 HIS HA H 43 4.264 4.318 -0.054 1
1 477 . 8 1 1 A 43 43 HIS C C 43 178.854 177.862 0.992 1
1 478 . 8 1 1 A 43 43 HIS CA C 43 59.824 59.709 0.115 1
1 479 . 8 1 1 A 43 43 HIS CB C 43 30.605 29.759 0.846 1
1 482 . 8 1 1 A 43 43 HIS N N 43 118.867 119.660 -0.793 1
1 483 . 8 1 1 A 44 44 ILE H H 44 8.344 8.049 0.295 1
1 484 . 8 1 1 A 44 44 ILE HA H 44 3.375 3.630 -0.255 1
1 494 . 8 1 1 A 44 44 ILE C C 44 178.054 178.211 -0.157 1
1 495 . 8 1 1 A 44 44 ILE CA C 44 65.922 64.377 1.545 1
1 496 . 8 1 1 A 44 44 ILE CB C 44 37.950 37.548 0.402 1
1 500 . 8 1 1 A 44 44 ILE N N 44 121.530 120.017 1.513 1
1 501 . 8 1 1 A 45 45 ILE H H 45 7.604 7.682 -0.078 1
1 502 . 8 1 1 A 45 45 ILE HA H 45 3.311 3.606 -0.295 1
1 512 . 8 1 1 A 45 45 ILE C C 45 177.378 178.103 -0.725 1
1 513 . 8 1 1 A 45 45 ILE CA C 45 66.577 64.922 1.655 1
1 514 . 8 1 1 A 45 45 ILE CB C 45 38.168 37.660 0.508 1
1 518 . 8 1 1 A 45 45 ILE N N 45 117.572 121.147 -3.575 1
1 519 . 8 1 1 A 46 46 GLN H H 46 8.626 8.017 0.609 1
1 520 . 8 1 1 A 46 46 GLN HA H 46 3.719 4.068 -0.349 1
1 527 . 8 1 1 A 46 46 GLN C C 46 177.483 177.894 -0.411 1
1 528 . 8 1 1 A 46 46 GLN CA C 46 59.443 58.600 0.843 1
1 529 . 8 1 1 A 46 46 GLN CB C 46 28.832 28.466 0.366 1
1 531 . 8 1 1 A 46 46 GLN N N 46 115.916 119.329 -3.413 1
1 533 . 8 1 1 A 47 47 SER H H 47 7.862 7.866 -0.004 1
1 534 . 8 1 1 A 47 47 SER HA H 47 4.064 4.186 -0.122 1
1 537 . 8 1 1 A 47 47 SER C C 47 175.615 175.330 0.285 1
1 538 . 8 1 1 A 47 47 SER CA C 47 60.602 60.782 -0.180 1
1 539 . 8 1 1 A 47 47 SER CB C 47 63.313 62.950 0.363 1
1 540 . 8 1 1 A 47 47 SER N N 47 110.902 115.389 -4.487 1
1 541 . 8 1 1 A 48 48 ARG H H 48 7.362 8.085 -0.723 1
1 542 . 8 1 1 A 48 48 ARG HA H 48 4.306 4.423 -0.117 1
1 549 . 8 1 1 A 48 48 ARG C C 48 176.365 176.350 0.015 1
1 550 . 8 1 1 A 48 48 ARG CA C 48 55.992 56.747 -0.755 1
1 551 . 8 1 1 A 48 48 ARG CB C 48 33.000 31.468 1.532 1
1 554 . 8 1 1 A 48 48 ARG N N 48 118.403 118.195 0.208 1
1 555 . 8 1 1 A 49 49 GLU H H 49 7.714 7.630 0.084 1
1 556 . 8 1 1 A 49 49 GLU HA H 49 4.806 4.726 0.080 1
1 561 . 8 1 1 A 49 49 GLU C C 49 174.213 175.056 -0.843 1
1 562 . 8 1 1 A 49 49 GLU CA C 49 52.903 53.404 -0.501 1
1 563 . 8 1 1 A 49 49 GLU CB C 49 28.835 30.032 -1.197 1
1 565 . 8 1 1 A 49 49 GLU N N 49 118.387 119.782 -1.395 1
1 566 . 8 1 1 A 50 50 PRO HA H 50 4.273 4.297 -0.024 1
1 573 . 8 1 1 A 50 50 PRO C C 50 178.412 178.006 0.406 1
1 574 . 8 1 1 A 50 50 PRO CA C 50 64.641 64.704 -0.063 1
1 575 . 8 1 1 A 50 50 PRO CB C 50 32.045 32.087 -0.042 1
1 578 . 8 1 1 A 51 51 SER H H 51 8.290 8.192 0.098 1
1 579 . 8 1 1 A 51 51 SER HA H 51 4.271 4.248 0.023 1
1 582 . 8 1 1 A 51 51 SER C C 51 175.130 177.521 -2.391 1
1 583 . 8 1 1 A 51 51 SER CA C 51 59.824 61.213 -1.389 1
1 584 . 8 1 1 A 51 51 SER CB C 51 63.071 62.985 0.086 1
1 585 . 8 1 1 A 51 51 SER N N 51 112.214 112.502 -0.288 1
1 586 . 8 1 1 A 52 52 LEU H H 52 7.882 8.375 -0.493 1
1 587 . 8 1 1 A 52 52 LEU HA H 52 4.479 4.094 0.385 1
1 597 . 8 1 1 A 52 52 LEU C C 52 177.843 179.413 -1.570 1
1 598 . 8 1 1 A 52 52 LEU CA C 52 54.734 56.934 -2.200 1
1 599 . 8 1 1 A 52 52 LEU CB C 52 42.500 41.089 1.411 1
1 603 . 8 1 1 A 52 52 LEU N N 52 121.800 120.996 0.804 1
1 604 . 8 1 1 A 53 53 LYS H H 53 7.638 8.648 -1.010 1
1 605 . 8 1 1 A 53 53 LYS HA H 53 4.022 4.125 -0.103 1
1 614 . 8 1 1 A 53 53 LYS C C 53 176.270 177.737 -1.467 1
1 615 . 8 1 1 A 53 53 LYS CA C 53 58.288 58.472 -0.184 1
1 616 . 8 1 1 A 53 53 LYS CB C 53 32.924 31.525 1.399 1
1 620 . 8 1 1 A 53 53 LYS N N 53 121.559 118.557 3.002 1
1 621 . 8 1 1 A 54 54 ASN H H 54 8.266 7.527 0.739 1
1 622 . 8 1 1 A 54 54 ASN HA H 54 4.732 4.719 0.013 1
1 627 . 8 1 1 A 54 54 ASN C C 54 175.097 175.543 -0.446 1
1 628 . 8 1 1 A 54 54 ASN CA C 54 53.020 54.293 -1.273 1
1 629 . 8 1 1 A 54 54 ASN CB C 54 38.863 39.505 -0.642 1
1 630 . 8 1 1 A 54 54 ASN N N 54 116.053 117.122 -1.069 1
1 632 . 8 1 1 A 55 55 SER H H 55 7.692 7.753 -0.061 1
1 633 . 8 1 1 A 55 55 SER HA H 55 4.288 4.626 -0.338 1
1 636 . 8 1 1 A 55 55 SER C C 55 173.418 174.227 -0.809 1
1 637 . 8 1 1 A 55 55 SER CA C 55 58.900 58.235 0.665 1
1 638 . 8 1 1 A 55 55 SER CB C 55 63.914 65.312 -1.398 1
1 639 . 8 1 1 A 55 55 SER N N 55 115.901 115.310 0.591 1
1 640 . 8 1 1 A 56 56 ASN H H 56 8.574 8.516 0.058 1
1 641 . 8 1 1 A 56 56 ASN HA H 56 4.857 5.022 -0.165 1
1 646 . 8 1 1 A 56 56 ASN C C 56 174.843 175.697 -0.854 1
1 647 . 8 1 1 A 56 56 ASN CA C 56 50.974 51.620 -0.646 1
1 648 . 8 1 1 A 56 56 ASN CB C 56 38.744 39.468 -0.724 1
1 649 . 8 1 1 A 56 56 ASN N N 56 122.245 121.628 0.617 1
1 651 . 8 1 1 A 57 57 PRO HA H 57 4.079 4.268 -0.189 1
1 658 . 8 1 1 A 57 57 PRO C C 57 176.856 177.293 -0.437 1
1 659 . 8 1 1 A 57 57 PRO CA C 57 64.733 65.335 -0.602 1
1 660 . 8 1 1 A 57 57 PRO CB C 57 31.968 31.512 0.456 1
1 663 . 8 1 1 A 58 58 ASP H H 58 8.024 8.773 -0.749 1
1 664 . 8 1 1 A 58 58 ASP HA H 58 4.445 4.540 -0.095 1
1 667 . 8 1 1 A 58 58 ASP C C 58 176.369 176.678 -0.309 1
1 668 . 8 1 1 A 58 58 ASP CA C 58 55.247 54.775 0.472 1
1 669 . 8 1 1 A 58 58 ASP CB C 58 40.828 39.614 1.214 1
1 670 . 8 1 1 A 58 58 ASP N N 58 114.883 114.844 0.039 1
1 671 . 8 1 1 A 59 59 GLU H H 59 7.663 7.813 -0.150 1
1 672 . 8 1 1 A 59 59 GLU HA H 59 4.341 4.396 -0.055 1
1 677 . 8 1 1 A 59 59 GLU C C 59 175.690 174.871 0.819 1
1 678 . 8 1 1 A 59 59 GLU CA C 59 55.425 56.253 -0.828 1
1 679 . 8 1 1 A 59 59 GLU CB C 59 31.140 30.329 0.811 1
1 681 . 8 1 1 A 59 59 GLU N N 59 117.763 117.150 0.613 1
1 682 . 8 1 1 A 60 60 ILE H H 60 7.457 7.533 -0.076 1
1 683 . 8 1 1 A 60 60 ILE HA H 60 3.962 4.319 -0.357 1
1 693 . 8 1 1 A 60 60 ILE C C 60 174.951 175.410 -0.459 1
1 694 . 8 1 1 A 60 60 ILE CA C 60 61.416 60.755 0.661 1
1 695 . 8 1 1 A 60 60 ILE CB C 60 38.693 38.342 0.351 1
1 699 . 8 1 1 A 60 60 ILE N N 60 120.600 120.913 -0.313 1
1 700 . 8 1 1 A 61 61 GLU H H 61 8.267 8.582 -0.315 1
1 701 . 8 1 1 A 61 61 GLU HA H 61 4.333 4.518 -0.185 1
1 706 . 8 1 1 A 61 61 GLU C C 61 175.576 176.004 -0.428 1
1 707 . 8 1 1 A 61 61 GLU CA C 61 55.085 56.011 -0.926 1
1 708 . 8 1 1 A 61 61 GLU CB C 61 30.717 30.351 0.366 1
1 710 . 8 1 1 A 61 61 GLU N N 61 126.935 127.308 -0.373 1
1 711 . 8 1 1 A 62 62 ILE H H 62 8.425 8.588 -0.163 1
1 712 . 8 1 1 A 62 62 ILE HA H 62 3.570 4.659 -1.089 1
1 722 . 8 1 1 A 62 62 ILE C C 62 174.594 174.172 0.422 1
1 723 . 8 1 1 A 62 62 ILE CA C 62 61.570 59.991 1.579 1
1 724 . 8 1 1 A 62 62 ILE CB C 62 38.187 39.379 -1.192 1
1 728 . 8 1 1 A 62 62 ILE N N 62 124.857 124.030 0.827 1
1 729 . 8 1 1 A 63 63 ASP H H 63 8.459 8.481 -0.022 1
1 730 . 8 1 1 A 63 63 ASP HA H 63 4.691 4.668 0.023 1
1 733 . 8 1 1 A 63 63 ASP C C 63 177.284 174.658 2.626 1
1 734 . 8 1 1 A 63 63 ASP CA C 63 52.272 52.751 -0.479 1
1 735 . 8 1 1 A 63 63 ASP CB C 63 41.160 43.556 -2.396 1
1 736 . 8 1 1 A 63 63 ASP N N 63 126.597 126.338 0.259 1
1 737 . 8 1 1 A 64 64 PHE H H 64 8.609 8.713 -0.104 1
1 738 . 8 1 1 A 64 64 PHE HA H 64 4.016 4.443 -0.427 1
1 746 . 8 1 1 A 64 64 PHE C C 64 177.010 177.543 -0.533 1
1 747 . 8 1 1 A 64 64 PHE CA C 64 59.795 60.132 -0.337 1
1 748 . 8 1 1 A 64 64 PHE CB C 64 38.084 39.689 -1.605 1
1 754 . 8 1 1 A 64 64 PHE N N 64 123.270 123.585 -0.315 1
1 755 . 8 1 1 A 65 65 GLU H H 65 8.317 9.082 -0.765 1
1 756 . 8 1 1 A 65 65 GLU HA H 65 4.171 4.224 -0.053 1
1 761 . 8 1 1 A 65 65 GLU C C 65 177.913 178.344 -0.431 1
1 762 . 8 1 1 A 65 65 GLU CA C 65 57.524 59.477 -1.953 1
1 763 . 8 1 1 A 65 65 GLU CB C 65 29.440 29.112 0.328 1
1 765 . 8 1 1 A 65 65 GLU N N 65 114.355 118.367 -4.012 1
1 766 . 8 1 1 A 66 66 THR H H 66 7.388 7.654 -0.266 1
1 767 . 8 1 1 A 66 66 THR HA H 66 4.396 4.353 0.043 1
1 772 . 8 1 1 A 66 66 THR C C 66 174.662 174.927 -0.265 1
1 773 . 8 1 1 A 66 66 THR CA C 66 61.316 63.519 -2.203 1
1 774 . 8 1 1 A 66 66 THR CB C 66 69.711 69.588 0.123 1
1 776 . 8 1 1 A 66 66 THR N N 66 106.424 109.490 -3.066 1
1 777 . 8 1 1 A 67 67 LEU H H 67 6.677 7.500 -0.823 1
1 778 . 8 1 1 A 67 67 LEU HA H 67 4.350 4.200 0.150 1
1 788 . 8 1 1 A 67 67 LEU C C 67 176.647 177.191 -0.544 1
1 789 . 8 1 1 A 67 67 LEU CA C 67 54.104 55.239 -1.135 1
1 790 . 8 1 1 A 67 67 LEU CB C 67 43.365 42.361 1.004 1
1 794 . 8 1 1 A 67 67 LEU N N 67 120.589 123.880 -3.291 1
1 795 . 8 1 1 A 68 68 LYS H H 68 9.947 8.784 1.163 1
1 796 . 8 1 1 A 68 68 LYS HA H 68 4.387 4.441 -0.054 1
1 805 . 8 1 1 A 68 68 LYS C C 68 176.786 176.770 0.016 1
1 806 . 8 1 1 A 68 68 LYS CA C 68 55.574 54.549 1.025 1
1 807 . 8 1 1 A 68 68 LYS CB C 68 31.897 31.838 0.059 1
1 811 . 8 1 1 A 68 68 LYS N N 68 123.363 122.003 1.360 1
1 812 . 8 1 1 A 69 69 PRO HA H 69 4.091 4.353 -0.262 1
1 819 . 8 1 1 A 69 69 PRO C C 69 178.646 178.076 0.570 1
1 820 . 8 1 1 A 69 69 PRO CA C 69 66.153 65.055 1.098 1
1 821 . 8 1 1 A 69 69 PRO CB C 69 31.985 31.942 0.043 1
1 824 . 8 1 1 A 70 70 SER H H 70 8.490 8.235 0.255 1
1 825 . 8 1 1 A 70 70 SER HA H 70 4.231 4.248 -0.017 1
1 828 . 8 1 1 A 70 70 SER C C 70 177.784 177.420 0.364 1
1 829 . 8 1 1 A 70 70 SER CA C 70 60.787 61.039 -0.252 1
1 830 . 8 1 1 A 70 70 SER CB C 70 61.797 62.629 -0.832 1
1 831 . 8 1 1 A 70 70 SER N N 70 109.802 113.113 -3.311 1
1 832 . 8 1 1 A 71 71 THR H H 71 7.340 7.942 -0.602 1
1 833 . 8 1 1 A 71 71 THR HA H 71 3.735 3.959 -0.224 1
1 838 . 8 1 1 A 71 71 THR C C 71 176.072 176.674 -0.602 1
1 839 . 8 1 1 A 71 71 THR CA C 71 65.913 66.810 -0.897 1
1 840 . 8 1 1 A 71 71 THR CB C 71 67.239 68.052 -0.813 1
1 842 . 8 1 1 A 71 71 THR N N 71 122.295 117.531 4.764 1
1 843 . 8 1 1 A 72 72 LEU H H 72 7.839 8.164 -0.325 1
1 844 . 8 1 1 A 72 72 LEU HA H 72 3.713 3.973 -0.260 1
1 854 . 8 1 1 A 72 72 LEU C C 72 178.998 179.464 -0.466 1
1 855 . 8 1 1 A 72 72 LEU CA C 72 58.622 58.093 0.529 1
1 856 . 8 1 1 A 72 72 LEU CB C 72 40.911 41.417 -0.506 1
1 859 . 8 1 1 A 72 72 LEU N N 72 120.539 121.081 -0.542 1
1 860 . 8 1 1 A 73 73 ARG H H 73 8.244 8.255 -0.011 1
1 861 . 8 1 1 A 73 73 ARG HA H 73 4.100 3.932 0.168 1
1 869 . 8 1 1 A 73 73 ARG C C 73 178.935 178.942 -0.007 1
1 870 . 8 1 1 A 73 73 ARG CA C 73 57.649 59.696 -2.047 1
1 871 . 8 1 1 A 73 73 ARG CB C 73 28.923 29.854 -0.931 1
1 874 . 8 1 1 A 73 73 ARG N N 73 115.473 119.120 -3.647 1
1 876 . 8 1 1 A 74 74 GLU H H 74 7.758 7.858 -0.100 1
1 877 . 8 1 1 A 74 74 GLU HA H 74 4.139 4.137 0.002 1
1 882 . 8 1 1 A 74 74 GLU C C 74 179.640 179.365 0.275 1
1 883 . 8 1 1 A 74 74 GLU CA C 74 59.519 59.462 0.057 1
1 884 . 8 1 1 A 74 74 GLU CB C 74 28.670 28.897 -0.227 1
1 886 . 8 1 1 A 74 74 GLU N N 74 122.400 119.913 2.487 1
1 887 . 8 1 1 A 75 75 LEU H H 75 8.387 7.913 0.474 1
1 888 . 8 1 1 A 75 75 LEU HA H 75 4.070 4.226 -0.156 1
1 898 . 8 1 1 A 75 75 LEU C C 75 178.024 179.195 -1.171 1
1 899 . 8 1 1 A 75 75 LEU CA C 75 58.147 57.846 0.301 1
1 900 . 8 1 1 A 75 75 LEU CB C 75 42.673 41.641 1.032 1
1 904 . 8 1 1 A 75 75 LEU N N 75 119.699 120.722 -1.023 1
1 905 . 8 1 1 A 76 76 GLU H H 76 8.537 8.402 0.135 1
1 906 . 8 1 1 A 76 76 GLU HA H 76 3.751 4.002 -0.251 1
1 911 . 8 1 1 A 76 76 GLU C C 76 178.799 178.482 0.317 1
1 912 . 8 1 1 A 76 76 GLU CA C 76 59.871 59.432 0.439 1
1 913 . 8 1 1 A 76 76 GLU CB C 76 30.145 29.433 0.712 1
1 915 . 8 1 1 A 76 76 GLU N N 76 120.074 119.309 0.765 1
1 916 . 8 1 1 A 77 77 ARG H H 77 8.032 7.925 0.107 1
1 917 . 8 1 1 A 77 77 ARG HA H 77 3.934 4.018 -0.084 1
1 924 . 8 1 1 A 77 77 ARG C C 77 179.220 177.900 1.320 1
1 925 . 8 1 1 A 77 77 ARG CA C 77 59.974 59.050 0.924 1
1 926 . 8 1 1 A 77 77 ARG CB C 77 30.413 30.116 0.297 1
1 929 . 8 1 1 A 77 77 ARG N N 77 120.100 120.348 -0.248 1
1 930 . 8 1 1 A 78 78 TYR H H 78 8.084 7.560 0.524 1
1 931 . 8 1 1 A 78 78 TYR HA H 78 4.260 4.227 0.033 1
1 938 . 8 1 1 A 78 78 TYR C C 78 178.620 177.288 1.332 1
1 939 . 8 1 1 A 78 78 TYR CA C 78 61.507 61.147 0.360 1
1 940 . 8 1 1 A 78 78 TYR CB C 78 38.440 38.845 -0.405 1
1 945 . 8 1 1 A 78 78 TYR N N 78 120.327 120.447 -0.120 1
1 946 . 8 1 1 A 79 79 VAL H H 79 9.136 7.872 1.264 1
1 947 . 8 1 1 A 79 79 VAL HA H 79 3.161 3.629 -0.468 1
1 955 . 8 1 1 A 79 79 VAL C C 79 178.067 178.172 -0.105 1
1 956 . 8 1 1 A 79 79 VAL CA C 79 67.306 65.550 1.756 1
1 957 . 8 1 1 A 79 79 VAL CB C 79 31.505 31.291 0.214 1
1 960 . 8 1 1 A 79 79 VAL N N 79 120.576 118.928 1.648 1
1 961 . 8 1 1 A 80 80 THR H H 80 8.297 7.989 0.308 1
1 962 . 8 1 1 A 80 80 THR HA H 80 3.721 3.875 -0.154 1
1 967 . 8 1 1 A 80 80 THR C C 80 176.623 176.459 0.164 1
1 968 . 8 1 1 A 80 80 THR CA C 80 66.823 66.195 0.628 1
1 969 . 8 1 1 A 80 80 THR CB C 80 68.508 68.314 0.194 1
1 971 . 8 1 1 A 80 80 THR N N 80 115.107 117.827 -2.720 1
1 972 . 8 1 1 A 81 81 SER H H 81 7.537 8.001 -0.464 1
1 973 . 8 1 1 A 81 81 SER HA H 81 4.165 4.085 0.080 1
1 976 . 8 1 1 A 81 81 SER C C 81 176.196 177.163 -0.967 1
1 977 . 8 1 1 A 81 81 SER CA C 81 61.371 61.384 -0.013 1
1 978 . 8 1 1 A 81 81 SER CB C 81 62.826 62.733 0.093 1
1 979 . 8 1 1 A 81 81 SER N N 81 116.178 115.342 0.836 1
1 980 . 8 1 1 A 82 82 CYS H H 82 7.523 8.038 -0.515 1
1 981 . 8 1 1 A 82 82 CYS HA H 82 4.084 3.998 0.086 1
1 984 . 8 1 1 A 82 82 CYS C C 82 176.363 177.253 -0.890 1
1 985 . 8 1 1 A 82 82 CYS CA C 82 62.173 63.709 -1.536 1
1 986 . 8 1 1 A 82 82 CYS CB C 82 27.872 27.198 0.674 1
1 987 . 8 1 1 A 82 82 CYS N N 82 118.207 119.741 -1.534 1
1 988 . 8 1 1 A 83 83 LEU H H 83 7.652 7.767 -0.115 1
1 989 . 8 1 1 A 83 83 LEU HA H 83 4.216 4.221 -0.005 1
1 999 . 8 1 1 A 83 83 LEU C C 83 177.349 176.852 0.497 1
1 1000 . 8 1 1 A 83 83 LEU CA C 83 55.521 56.895 -1.374 1
1 1001 . 8 1 1 A 83 83 LEU CB C 83 42.550 43.046 -0.496 1
1 1005 . 8 1 1 A 83 83 LEU N N 83 118.141 119.548 -1.407 1
1 1006 . 8 1 1 A 84 84 ARG H H 84 7.754 7.916 -0.162 1
1 1007 . 8 1 1 A 84 84 ARG HA H 84 4.153 4.489 -0.336 1
1 1014 . 8 1 1 A 84 84 ARG C C 84 176.300 176.433 -0.133 1
1 1015 . 8 1 1 A 84 84 ARG CA C 84 56.829 54.697 2.132 1
1 1016 . 8 1 1 A 84 84 ARG CB C 84 29.926 29.274 0.652 1
1 1019 . 8 1 1 A 84 84 ARG N N 84 118.881 118.204 0.677 1
1 1020 . 8 1 1 A 85 85 LYS H H 85 7.904 8.585 -0.681 1
1 1021 . 8 1 1 A 85 85 LYS HA H 85 4.178 4.379 -0.201 1
1 1030 . 8 1 1 A 85 85 LYS C C 85 176.549 176.242 0.307 1
1 1031 . 8 1 1 A 85 85 LYS CA C 85 56.514 57.540 -1.026 1
1 1032 . 8 1 1 A 85 85 LYS CB C 85 32.931 33.211 -0.280 1
1 1036 . 8 1 1 A 85 85 LYS N N 85 120.528 121.328 -0.800 1
1 1037 . 8 1 1 A 86 86 LYS H H 86 8.139 7.586 0.553 1
1 1038 . 8 1 1 A 86 86 LYS HA H 86 4.194 4.984 -0.790 1
1 1047 . 8 1 1 A 86 86 LYS C C 86 176.395 175.351 1.044 1
1 1048 . 8 1 1 A 86 86 LYS CA C 86 56.244 54.663 1.581 1
1 1049 . 8 1 1 A 86 86 LYS CB C 86 32.971 35.105 -2.134 1
1 1053 . 8 1 1 A 86 86 LYS N N 86 121.979 117.284 4.695 1
1 1054 . 8 1 1 A 87 87 ARG H H 87 8.242 8.407 -0.165 1
1 1055 . 8 1 1 A 87 87 ARG HA H 87 4.223 4.994 -0.771 1
1 1062 . 8 1 1 A 87 87 ARG C C 87 175.989 174.273 1.716 1
1 1063 . 8 1 1 A 87 87 ARG CA C 87 55.953 54.714 1.239 1
1 1064 . 8 1 1 A 87 87 ARG CB C 87 31.019 35.054 -4.035 1
1 1067 . 8 1 1 A 87 87 ARG N N 87 122.606 119.367 3.239 1
1 1068 . 8 1 1 A 88 88 LYS H H 88 8.318 8.838 -0.520 1
1 1069 . 8 1 1 A 88 88 LYS HA H 88 4.506 4.925 -0.419 1
1 1074 . 8 1 1 A 88 88 LYS C C 88 174.589 174.280 0.309 1
1 1075 . 8 1 1 A 88 88 LYS CA C 88 54.349 53.386 0.963 1
1 1076 . 8 1 1 A 88 88 LYS CB C 88 32.576 32.384 0.192 1
1 1077 . 8 1 1 A 88 88 LYS N N 88 124.253 117.961 6.292 1
1 1078 . 8 1 1 A 89 89 PRO HA H 89 4.327 4.553 -0.226 1
1 1085 . 8 1 1 A 89 89 PRO C C 89 176.044 176.993 -0.949 1
1 1086 . 8 1 1 A 89 89 PRO CA C 89 63.489 62.981 0.508 1
1 1087 . 8 1 1 A 89 89 PRO CB C 89 31.921 31.685 0.236 1
1 1 . 9 1 1 A 4 4 GLY C C 4 174.318 173.580 0.738 1
1 2 . 9 1 1 A 4 4 GLY CA C 4 45.318 45.128 0.190 1
1 3 . 9 1 1 A 5 5 SER H H 5 8.211 8.541 -0.330 1
1 4 . 9 1 1 A 5 5 SER HA H 5 4.460 4.644 -0.184 1
1 7 . 9 1 1 A 5 5 SER C C 5 174.891 173.785 1.106 1
1 8 . 9 1 1 A 5 5 SER CA C 5 58.299 59.181 -0.882 1
1 9 . 9 1 1 A 5 5 SER CB C 5 64.052 64.496 -0.444 1
1 10 . 9 1 1 A 5 5 SER N N 5 115.510 120.635 -5.125 1
1 11 . 9 1 1 A 6 6 SER H H 6 8.444 8.724 -0.280 1
1 12 . 9 1 1 A 6 6 SER HA H 6 4.428 5.073 -0.645 1
1 15 . 9 1 1 A 6 6 SER C C 6 175.096 173.030 2.066 1
1 16 . 9 1 1 A 6 6 SER CA C 6 58.706 56.577 2.129 1
1 17 . 9 1 1 A 6 6 SER CB C 6 63.920 65.539 -1.619 1
1 18 . 9 1 1 A 6 6 SER N N 6 117.613 116.608 1.005 1
1 19 . 9 1 1 A 7 7 GLY H H 7 8.359 8.449 -0.090 1
1 20 . 9 1 1 A 7 7 GLY HA2 H 7 3.916 4.183 -0.267 1
1 21 . 9 1 1 A 7 7 GLY HA3 H 7 3.916 4.183 -0.267 1
1 22 . 9 1 1 A 7 7 GLY C C 7 174.309 172.859 1.450 1
1 23 . 9 1 1 A 7 7 GLY CA C 7 45.399 45.276 0.123 1
1 24 . 9 1 1 A 7 7 GLY N N 7 110.468 110.880 -0.412 1
1 25 . 9 1 1 A 8 8 GLU H H 8 8.235 8.456 -0.221 1
1 26 . 9 1 1 A 8 8 GLU HA H 8 4.248 4.405 -0.157 1
1 31 . 9 1 1 A 8 8 GLU C C 8 176.732 176.293 0.439 1
1 32 . 9 1 1 A 8 8 GLU CA C 8 56.630 57.214 -0.584 1
1 33 . 9 1 1 A 8 8 GLU CB C 8 30.243 29.723 0.520 1
1 35 . 9 1 1 A 8 8 GLU N N 8 120.254 122.394 -2.140 1
1 36 . 9 1 1 A 9 9 SER H H 9 8.327 8.419 -0.092 1
1 37 . 9 1 1 A 9 9 SER HA H 9 4.385 4.988 -0.603 1
1 40 . 9 1 1 A 9 9 SER C C 9 174.682 174.866 -0.184 1
1 41 . 9 1 1 A 9 9 SER CA C 9 58.470 55.968 2.502 1
1 42 . 9 1 1 A 9 9 SER CB C 9 63.742 66.620 -2.878 1
1 43 . 9 1 1 A 9 9 SER N N 9 116.213 117.375 -1.162 1
1 44 . 9 1 1 A 10 10 GLU H H 10 8.428 9.125 -0.697 1
1 45 . 9 1 1 A 10 10 GLU HA H 10 4.232 4.102 0.130 1
1 50 . 9 1 1 A 10 10 GLU C C 10 176.769 178.694 -1.925 1
1 51 . 9 1 1 A 10 10 GLU CA C 10 56.887 59.207 -2.320 1
1 52 . 9 1 1 A 10 10 GLU CB C 10 30.267 29.038 1.229 1
1 54 . 9 1 1 A 10 10 GLU N N 10 122.618 122.392 0.226 1
1 55 . 9 1 1 A 11 11 GLU H H 11 8.315 8.618 -0.303 1
1 56 . 9 1 1 A 11 11 GLU HA H 11 4.179 4.118 0.061 1
1 61 . 9 1 1 A 11 11 GLU C C 11 177.182 179.025 -1.843 1
1 62 . 9 1 1 A 11 11 GLU CA C 11 56.896 58.628 -1.732 1
1 63 . 9 1 1 A 11 11 GLU CB C 11 30.317 28.060 2.257 1
1 65 . 9 1 1 A 11 11 GLU N N 11 120.909 118.739 2.170 1
1 66 . 9 1 1 A 12 12 GLU H H 12 8.333 7.900 0.433 1
1 67 . 9 1 1 A 12 12 GLU HA H 12 4.100 4.117 -0.017 1
1 72 . 9 1 1 A 12 12 GLU C C 12 176.860 177.274 -0.414 1
1 73 . 9 1 1 A 12 12 GLU CA C 12 57.495 58.617 -1.122 1
1 74 . 9 1 1 A 12 12 GLU CB C 12 30.221 29.517 0.704 1
1 76 . 9 1 1 A 12 12 GLU N N 12 121.578 120.949 0.629 1
1 77 . 9 1 1 A 13 13 ASP H H 13 8.332 7.644 0.688 1
1 78 . 9 1 1 A 13 13 ASP HA H 13 4.468 4.911 -0.443 1
1 81 . 9 1 1 A 13 13 ASP C C 13 176.833 174.643 2.190 1
1 82 . 9 1 1 A 13 13 ASP CA C 13 54.921 53.944 0.977 1
1 83 . 9 1 1 A 13 13 ASP CB C 13 40.912 42.325 -1.413 1
1 84 . 9 1 1 A 13 13 ASP N N 13 120.147 116.928 3.219 1
1 85 . 9 1 1 A 14 14 LYS H H 14 8.014 7.398 0.616 1
1 86 . 9 1 1 A 14 14 LYS HA H 14 4.204 4.798 -0.594 1
1 95 . 9 1 1 A 14 14 LYS C C 14 176.568 175.434 1.134 1
1 96 . 9 1 1 A 14 14 LYS CA C 14 56.558 54.368 2.190 1
1 97 . 9 1 1 A 14 14 LYS CB C 14 32.598 35.923 -3.325 1
1 101 . 9 1 1 A 14 14 LYS N N 14 120.485 117.391 3.094 1
1 102 . 9 1 1 A 15 15 CYS H H 15 8.013 8.989 -0.976 1
1 103 . 9 1 1 A 15 15 CYS HA H 15 4.304 5.443 -1.139 1
1 106 . 9 1 1 A 15 15 CYS C C 15 173.801 173.472 0.329 1
1 107 . 9 1 1 A 15 15 CYS CA C 15 58.337 56.820 1.517 1
1 108 . 9 1 1 A 15 15 CYS CB C 15 28.061 31.106 -3.045 1
1 109 . 9 1 1 A 15 15 CYS N N 15 118.099 118.616 -0.517 1
1 110 . 9 1 1 A 16 16 LYS H H 16 8.287 8.580 -0.293 1
1 111 . 9 1 1 A 16 16 LYS HA H 16 4.491 4.768 -0.277 1
1 120 . 9 1 1 A 16 16 LYS C C 16 175.117 173.988 1.129 1
1 121 . 9 1 1 A 16 16 LYS CA C 16 54.512 53.067 1.445 1
1 122 . 9 1 1 A 16 16 LYS CB C 16 32.697 34.600 -1.903 1
1 124 . 9 1 1 A 16 16 LYS N N 16 125.369 120.731 4.638 1
1 125 . 9 1 1 A 17 17 PRO HA H 17 4.247 4.733 -0.486 1
1 132 . 9 1 1 A 17 17 PRO C C 17 176.956 177.001 -0.045 1
1 133 . 9 1 1 A 17 17 PRO CA C 17 63.088 62.778 0.310 1
1 134 . 9 1 1 A 17 17 PRO CB C 17 32.244 31.654 0.590 1
1 137 . 9 1 1 A 18 18 MET H H 18 8.516 8.355 0.161 1
1 138 . 9 1 1 A 18 18 MET HA H 18 4.488 4.790 -0.302 1
1 146 . 9 1 1 A 18 18 MET C C 18 176.759 176.313 0.446 1
1 147 . 9 1 1 A 18 18 MET CA C 18 56.169 55.080 1.089 1
1 148 . 9 1 1 A 18 18 MET CB C 18 35.531 32.279 3.252 1
1 151 . 9 1 1 A 18 18 MET N N 18 121.801 123.725 -1.924 1
1 152 . 9 1 1 A 19 19 SER H H 19 9.100 8.952 0.148 1
1 153 . 9 1 1 A 19 19 SER HA H 19 4.459 4.737 -0.278 1
1 156 . 9 1 1 A 19 19 SER C C 19 175.018 174.790 0.228 1
1 157 . 9 1 1 A 19 19 SER CA C 19 56.894 57.687 -0.793 1
1 158 . 9 1 1 A 19 19 SER CB C 19 65.854 64.320 1.534 1
1 159 . 9 1 1 A 19 19 SER N N 19 119.212 119.168 0.044 1
1 160 . 9 1 1 A 20 20 TYR H H 20 8.959 9.308 -0.349 1
1 161 . 9 1 1 A 20 20 TYR HA H 20 4.029 4.123 -0.094 1
1 168 . 9 1 1 A 20 20 TYR C C 20 177.960 177.283 0.677 1
1 169 . 9 1 1 A 20 20 TYR CA C 20 62.463 62.607 -0.144 1
1 170 . 9 1 1 A 20 20 TYR CB C 20 38.009 38.823 -0.814 1
1 175 . 9 1 1 A 20 20 TYR N N 20 121.218 126.092 -4.874 1
1 176 . 9 1 1 A 21 21 GLU H H 21 8.825 8.237 0.588 1
1 177 . 9 1 1 A 21 21 GLU HA H 21 3.811 3.638 0.173 1
1 182 . 9 1 1 A 21 21 GLU C C 21 179.481 178.814 0.667 1
1 183 . 9 1 1 A 21 21 GLU CA C 21 59.951 59.947 0.004 1
1 184 . 9 1 1 A 21 21 GLU CB C 21 28.823 29.387 -0.564 1
1 186 . 9 1 1 A 21 21 GLU N N 21 118.696 118.322 0.374 1
1 187 . 9 1 1 A 22 22 GLU H H 22 7.771 8.202 -0.431 1
1 188 . 9 1 1 A 22 22 GLU HA H 22 3.899 4.044 -0.145 1
1 193 . 9 1 1 A 22 22 GLU C C 22 179.680 179.422 0.258 1
1 194 . 9 1 1 A 22 22 GLU CA C 22 59.498 59.080 0.418 1
1 195 . 9 1 1 A 22 22 GLU CB C 22 30.385 29.480 0.905 1
1 197 . 9 1 1 A 22 22 GLU N N 22 120.141 120.344 -0.203 1
1 198 . 9 1 1 A 23 23 LYS H H 23 8.101 7.748 0.353 1
1 199 . 9 1 1 A 23 23 LYS HA H 23 3.662 4.036 -0.374 1
1 208 . 9 1 1 A 23 23 LYS C C 23 178.250 179.081 -0.831 1
1 209 . 9 1 1 A 23 23 LYS CA C 23 60.345 59.737 0.608 1
1 210 . 9 1 1 A 23 23 LYS CB C 23 32.611 31.929 0.682 1
1 214 . 9 1 1 A 23 23 LYS N N 23 120.594 119.612 0.982 1
1 215 . 9 1 1 A 24 24 ARG H H 24 8.030 7.535 0.495 1
1 216 . 9 1 1 A 24 24 ARG HA H 24 3.721 3.649 0.072 1
1 223 . 9 1 1 A 24 24 ARG C C 24 178.992 178.834 0.158 1
1 224 . 9 1 1 A 24 24 ARG CA C 24 59.055 58.997 0.058 1
1 225 . 9 1 1 A 24 24 ARG CB C 24 29.623 30.001 -0.378 1
1 228 . 9 1 1 A 24 24 ARG N N 24 120.100 118.623 1.477 1
1 229 . 9 1 1 A 25 25 GLN H H 25 7.940 8.018 -0.078 1
1 230 . 9 1 1 A 25 25 GLN HA H 25 3.706 3.952 -0.246 1
1 237 . 9 1 1 A 25 25 GLN C C 25 177.078 177.844 -0.766 1
1 238 . 9 1 1 A 25 25 GLN CA C 25 58.104 58.606 -0.502 1
1 239 . 9 1 1 A 25 25 GLN CB C 25 28.294 28.002 0.292 1
1 241 . 9 1 1 A 25 25 GLN N N 25 118.586 119.716 -1.130 1
1 243 . 9 1 1 A 26 26 LEU H H 26 7.843 7.661 0.182 1
1 244 . 9 1 1 A 26 26 LEU HA H 26 4.182 4.075 0.107 1
1 254 . 9 1 1 A 26 26 LEU C C 26 178.116 178.656 -0.540 1
1 255 . 9 1 1 A 26 26 LEU CA C 26 57.867 57.866 0.001 1
1 256 . 9 1 1 A 26 26 LEU CB C 26 41.167 41.555 -0.388 1
1 259 . 9 1 1 A 26 26 LEU N N 26 119.570 121.551 -1.981 1
1 260 . 9 1 1 A 27 27 SER H H 27 7.710 7.565 0.145 1
1 261 . 9 1 1 A 27 27 SER HA H 27 3.869 4.300 -0.431 1
1 264 . 9 1 1 A 27 27 SER C C 27 176.845 177.514 -0.669 1
1 265 . 9 1 1 A 27 27 SER CA C 27 61.478 61.339 0.139 1
1 266 . 9 1 1 A 27 27 SER CB C 27 62.828 62.733 0.095 1
1 267 . 9 1 1 A 27 27 SER N N 27 112.126 115.046 -2.920 1
1 268 . 9 1 1 A 28 28 LEU H H 28 7.613 7.923 -0.310 1
1 269 . 9 1 1 A 28 28 LEU HA H 28 3.954 3.890 0.064 1
1 279 . 9 1 1 A 28 28 LEU C C 28 180.044 178.940 1.104 1
1 280 . 9 1 1 A 28 28 LEU CA C 28 57.862 58.048 -0.186 1
1 281 . 9 1 1 A 28 28 LEU CB C 28 41.703 41.563 0.140 1
1 285 . 9 1 1 A 28 28 LEU N N 28 120.774 121.839 -1.065 1
1 286 . 9 1 1 A 29 29 ASP H H 29 8.476 8.202 0.274 1
1 287 . 9 1 1 A 29 29 ASP HA H 29 4.236 4.556 -0.320 1
1 290 . 9 1 1 A 29 29 ASP C C 29 179.532 179.011 0.521 1
1 291 . 9 1 1 A 29 29 ASP CA C 29 57.618 57.552 0.066 1
1 292 . 9 1 1 A 29 29 ASP CB C 29 40.447 40.875 -0.428 1
1 293 . 9 1 1 A 29 29 ASP N N 29 120.971 118.825 2.146 1
1 294 . 9 1 1 A 30 30 ILE H H 30 8.558 7.814 0.744 1
1 295 . 9 1 1 A 30 30 ILE HA H 30 3.564 3.764 -0.200 1
1 305 . 9 1 1 A 30 30 ILE C C 30 178.098 178.608 -0.510 1
1 306 . 9 1 1 A 30 30 ILE CA C 30 65.616 64.878 0.738 1
1 307 . 9 1 1 A 30 30 ILE CB C 30 37.697 37.541 0.156 1
1 311 . 9 1 1 A 30 30 ILE N N 30 120.240 121.134 -0.894 1
1 312 . 9 1 1 A 31 31 ASN H H 31 7.350 7.918 -0.568 1
1 313 . 9 1 1 A 31 31 ASN HA H 31 4.560 4.509 0.051 1
1 318 . 9 1 1 A 31 31 ASN C C 31 175.952 178.749 -2.797 1
1 319 . 9 1 1 A 31 31 ASN CA C 31 54.997 56.356 -1.359 1
1 320 . 9 1 1 A 31 31 ASN CB C 31 38.769 37.743 1.026 1
1 321 . 9 1 1 A 31 31 ASN N N 31 115.285 120.294 -5.009 1
1 323 . 9 1 1 A 32 32 LYS H H 32 7.509 7.554 -0.045 1
1 324 . 9 1 1 A 32 32 LYS HA H 32 4.286 4.321 -0.035 1
1 333 . 9 1 1 A 32 32 LYS C C 32 177.232 177.670 -0.438 1
1 334 . 9 1 1 A 32 32 LYS CA C 32 56.330 57.950 -1.620 1
1 335 . 9 1 1 A 32 32 LYS CB C 32 33.570 32.688 0.882 1
1 339 . 9 1 1 A 32 32 LYS N N 32 117.496 117.358 0.138 1
1 340 . 9 1 1 A 33 33 LEU H H 33 7.455 7.232 0.223 1
1 341 . 9 1 1 A 33 33 LEU HA H 33 4.265 4.407 -0.142 1
1 351 . 9 1 1 A 33 33 LEU CA C 33 53.436 53.587 -0.151 1
1 352 . 9 1 1 A 33 33 LEU CB C 33 41.464 41.283 0.181 1
1 356 . 9 1 1 A 33 33 LEU N N 33 120.501 120.992 -0.491 1
1 357 . 9 1 1 A 34 34 PRO HA H 34 4.561 4.710 -0.149 1
1 364 . 9 1 1 A 34 34 PRO C C 34 178.359 177.586 0.773 1
1 365 . 9 1 1 A 34 34 PRO CA C 34 62.251 62.306 -0.055 1
1 366 . 9 1 1 A 34 34 PRO CB C 34 32.489 32.806 -0.317 1
1 369 . 9 1 1 A 35 35 GLY H H 35 8.865 8.655 0.210 1
1 370 . 9 1 1 A 35 35 GLY HA2 H 35 3.709 3.830 -0.121 1
1 371 . 9 1 1 A 35 35 GLY HA3 H 35 4.005 3.836 0.169 1
1 372 . 9 1 1 A 35 35 GLY C C 35 176.845 175.670 1.175 1
1 373 . 9 1 1 A 35 35 GLY CA C 35 48.165 47.035 1.130 1
1 374 . 9 1 1 A 35 35 GLY N N 35 109.986 109.027 0.959 1
1 375 . 9 1 1 A 36 36 GLU H H 36 9.360 8.988 0.372 1
1 376 . 9 1 1 A 36 36 GLU HA H 36 4.233 4.102 0.131 1
1 381 . 9 1 1 A 36 36 GLU C C 36 178.326 177.981 0.345 1
1 382 . 9 1 1 A 36 36 GLU CA C 36 58.964 58.709 0.255 1
1 383 . 9 1 1 A 36 36 GLU CB C 36 28.689 28.187 0.502 1
1 385 . 9 1 1 A 36 36 GLU N N 36 119.485 119.682 -0.197 1
1 386 . 9 1 1 A 37 37 LYS H H 37 7.734 7.878 -0.144 1
1 387 . 9 1 1 A 37 37 LYS HA H 37 4.516 4.441 0.075 1
1 396 . 9 1 1 A 37 37 LYS C C 37 178.698 178.804 -0.106 1
1 397 . 9 1 1 A 37 37 LYS CA C 37 55.977 57.071 -1.094 1
1 398 . 9 1 1 A 37 37 LYS CB C 37 32.981 32.923 0.058 1
1 402 . 9 1 1 A 37 37 LYS N N 37 116.668 119.057 -2.389 1
1 403 . 9 1 1 A 38 38 LEU H H 38 7.882 8.087 -0.205 1
1 404 . 9 1 1 A 38 38 LEU HA H 38 4.103 3.973 0.130 1
1 414 . 9 1 1 A 38 38 LEU C C 38 179.042 178.712 0.330 1
1 415 . 9 1 1 A 38 38 LEU CA C 38 57.832 57.884 -0.052 1
1 416 . 9 1 1 A 38 38 LEU CB C 38 41.753 41.896 -0.143 1
1 420 . 9 1 1 A 38 38 LEU N N 38 121.898 121.899 -0.001 1
1 421 . 9 1 1 A 39 39 GLY H H 39 8.212 7.859 0.353 1
1 422 . 9 1 1 A 39 39 GLY HA2 H 39 3.720 3.949 -0.229 1
1 423 . 9 1 1 A 39 39 GLY HA3 H 39 3.853 3.959 -0.106 1
1 424 . 9 1 1 A 39 39 GLY C C 39 176.507 175.078 1.429 1
1 425 . 9 1 1 A 39 39 GLY CA C 39 47.218 46.536 0.682 1
1 426 . 9 1 1 A 39 39 GLY N N 39 106.042 106.118 -0.076 1
1 427 . 9 1 1 A 40 40 ARG H H 40 7.416 7.455 -0.039 1
1 428 . 9 1 1 A 40 40 ARG HA H 40 4.031 4.162 -0.131 1
1 435 . 9 1 1 A 40 40 ARG C C 40 177.974 178.574 -0.600 1
1 436 . 9 1 1 A 40 40 ARG CA C 40 57.460 58.145 -0.685 1
1 437 . 9 1 1 A 40 40 ARG CB C 40 29.051 29.900 -0.849 1
1 440 . 9 1 1 A 40 40 ARG N N 40 120.046 120.862 -0.816 1
1 441 . 9 1 1 A 41 41 VAL H H 41 7.417 7.940 -0.523 1
1 442 . 9 1 1 A 41 41 VAL HA H 41 3.285 3.408 -0.123 1
1 450 . 9 1 1 A 41 41 VAL C C 41 177.090 177.754 -0.664 1
1 451 . 9 1 1 A 41 41 VAL CA C 41 66.979 66.350 0.629 1
1 452 . 9 1 1 A 41 41 VAL CB C 41 31.059 31.662 -0.603 1
1 455 . 9 1 1 A 41 41 VAL N N 41 119.285 119.521 -0.236 1
1 456 . 9 1 1 A 42 42 VAL H H 42 7.493 8.194 -0.701 1
1 457 . 9 1 1 A 42 42 VAL HA H 42 3.395 3.618 -0.223 1
1 465 . 9 1 1 A 42 42 VAL C C 42 177.200 177.830 -0.630 1
1 466 . 9 1 1 A 42 42 VAL CA C 42 66.764 65.275 1.489 1
1 467 . 9 1 1 A 42 42 VAL CB C 42 31.296 30.950 0.346 1
1 470 . 9 1 1 A 42 42 VAL N N 42 116.606 119.702 -3.096 1
1 471 . 9 1 1 A 43 43 HIS H H 43 7.602 7.443 0.159 1
1 472 . 9 1 1 A 43 43 HIS HA H 43 4.264 4.218 0.046 1
1 477 . 9 1 1 A 43 43 HIS C C 43 178.854 177.897 0.957 1
1 478 . 9 1 1 A 43 43 HIS CA C 43 59.824 59.950 -0.126 1
1 479 . 9 1 1 A 43 43 HIS CB C 43 30.605 29.378 1.227 1
1 482 . 9 1 1 A 43 43 HIS N N 43 118.867 119.670 -0.803 1
1 483 . 9 1 1 A 44 44 ILE H H 44 8.344 7.888 0.456 1
1 484 . 9 1 1 A 44 44 ILE HA H 44 3.375 3.614 -0.239 1
1 494 . 9 1 1 A 44 44 ILE C C 44 178.054 178.260 -0.206 1
1 495 . 9 1 1 A 44 44 ILE CA C 44 65.922 64.315 1.607 1
1 496 . 9 1 1 A 44 44 ILE CB C 44 37.950 37.523 0.427 1
1 500 . 9 1 1 A 44 44 ILE N N 44 121.530 120.284 1.246 1
1 501 . 9 1 1 A 45 45 ILE H H 45 7.604 7.573 0.031 1
1 502 . 9 1 1 A 45 45 ILE HA H 45 3.311 3.492 -0.181 1
1 512 . 9 1 1 A 45 45 ILE C C 45 177.378 178.138 -0.760 1
1 513 . 9 1 1 A 45 45 ILE CA C 45 66.577 64.883 1.694 1
1 514 . 9 1 1 A 45 45 ILE CB C 45 38.168 37.354 0.814 1
1 518 . 9 1 1 A 45 45 ILE N N 45 117.572 120.887 -3.315 1
1 519 . 9 1 1 A 46 46 GLN H H 46 8.626 7.988 0.638 1
1 520 . 9 1 1 A 46 46 GLN HA H 46 3.719 4.032 -0.313 1
1 527 . 9 1 1 A 46 46 GLN C C 46 177.483 178.164 -0.681 1
1 528 . 9 1 1 A 46 46 GLN CA C 46 59.443 58.666 0.777 1
1 529 . 9 1 1 A 46 46 GLN CB C 46 28.832 28.331 0.501 1
1 531 . 9 1 1 A 46 46 GLN N N 46 115.916 118.784 -2.868 1
1 533 . 9 1 1 A 47 47 SER H H 47 7.862 7.678 0.184 1
1 534 . 9 1 1 A 47 47 SER HA H 47 4.064 4.118 -0.054 1
1 537 . 9 1 1 A 47 47 SER C C 47 175.615 175.471 0.144 1
1 538 . 9 1 1 A 47 47 SER CA C 47 60.602 61.094 -0.492 1
1 539 . 9 1 1 A 47 47 SER CB C 47 63.313 63.051 0.262 1
1 540 . 9 1 1 A 47 47 SER N N 47 110.902 115.740 -4.838 1
1 541 . 9 1 1 A 48 48 ARG H H 48 7.362 7.809 -0.447 1
1 542 . 9 1 1 A 48 48 ARG HA H 48 4.306 4.357 -0.051 1
1 549 . 9 1 1 A 48 48 ARG C C 48 176.365 176.017 0.348 1
1 550 . 9 1 1 A 48 48 ARG CA C 48 55.992 57.048 -1.056 1
1 551 . 9 1 1 A 48 48 ARG CB C 48 33.000 31.322 1.678 1
1 554 . 9 1 1 A 48 48 ARG N N 48 118.403 118.293 0.110 1
1 555 . 9 1 1 A 49 49 GLU H H 49 7.714 7.575 0.139 1
1 556 . 9 1 1 A 49 49 GLU HA H 49 4.806 4.743 0.063 1
1 561 . 9 1 1 A 49 49 GLU C C 49 174.213 174.773 -0.560 1
1 562 . 9 1 1 A 49 49 GLU CA C 49 52.903 53.350 -0.447 1
1 563 . 9 1 1 A 49 49 GLU CB C 49 28.835 30.300 -1.465 1
1 565 . 9 1 1 A 49 49 GLU N N 49 118.387 118.670 -0.283 1
1 566 . 9 1 1 A 50 50 PRO HA H 50 4.273 4.289 -0.016 1
1 573 . 9 1 1 A 50 50 PRO C C 50 178.412 178.083 0.329 1
1 574 . 9 1 1 A 50 50 PRO CA C 50 64.641 64.543 0.098 1
1 575 . 9 1 1 A 50 50 PRO CB C 50 32.045 32.000 0.045 1
1 578 . 9 1 1 A 51 51 SER H H 51 8.290 8.180 0.110 1
1 579 . 9 1 1 A 51 51 SER HA H 51 4.271 4.219 0.052 1
1 582 . 9 1 1 A 51 51 SER C C 51 175.130 177.449 -2.319 1
1 583 . 9 1 1 A 51 51 SER CA C 51 59.824 61.401 -1.577 1
1 584 . 9 1 1 A 51 51 SER CB C 51 63.071 62.520 0.551 1
1 585 . 9 1 1 A 51 51 SER N N 51 112.214 112.665 -0.451 1
1 586 . 9 1 1 A 52 52 LEU H H 52 7.882 8.343 -0.461 1
1 587 . 9 1 1 A 52 52 LEU HA H 52 4.479 4.198 0.281 1
1 597 . 9 1 1 A 52 52 LEU C C 52 177.843 178.996 -1.153 1
1 598 . 9 1 1 A 52 52 LEU CA C 52 54.734 56.456 -1.722 1
1 599 . 9 1 1 A 52 52 LEU CB C 52 42.500 41.353 1.147 1
1 603 . 9 1 1 A 52 52 LEU N N 52 121.800 121.596 0.204 1
1 604 . 9 1 1 A 53 53 LYS H H 53 7.638 7.709 -0.071 1
1 605 . 9 1 1 A 53 53 LYS HA H 53 4.022 4.059 -0.037 1
1 614 . 9 1 1 A 53 53 LYS C C 53 176.270 178.739 -2.469 1
1 615 . 9 1 1 A 53 53 LYS CA C 53 58.288 59.049 -0.761 1
1 616 . 9 1 1 A 53 53 LYS CB C 53 32.924 31.910 1.014 1
1 620 . 9 1 1 A 53 53 LYS N N 53 121.559 120.903 0.656 1
1 621 . 9 1 1 A 54 54 ASN H H 54 8.266 7.457 0.809 1
1 622 . 9 1 1 A 54 54 ASN HA H 54 4.732 4.675 0.057 1
1 627 . 9 1 1 A 54 54 ASN C C 54 175.097 175.772 -0.675 1
1 628 . 9 1 1 A 54 54 ASN CA C 54 53.020 54.626 -1.606 1
1 629 . 9 1 1 A 54 54 ASN CB C 54 38.863 39.155 -0.292 1
1 630 . 9 1 1 A 54 54 ASN N N 54 116.053 116.005 0.048 1
1 632 . 9 1 1 A 55 55 SER H H 55 7.692 7.594 0.098 1
1 633 . 9 1 1 A 55 55 SER HA H 55 4.288 4.525 -0.237 1
1 636 . 9 1 1 A 55 55 SER C C 55 173.418 174.152 -0.734 1
1 637 . 9 1 1 A 55 55 SER CA C 55 58.900 58.425 0.475 1
1 638 . 9 1 1 A 55 55 SER CB C 55 63.914 64.456 -0.542 1
1 639 . 9 1 1 A 55 55 SER N N 55 115.901 115.753 0.148 1
1 640 . 9 1 1 A 56 56 ASN H H 56 8.574 8.596 -0.022 1
1 641 . 9 1 1 A 56 56 ASN HA H 56 4.857 4.865 -0.008 1
1 646 . 9 1 1 A 56 56 ASN C C 56 174.843 175.521 -0.678 1
1 647 . 9 1 1 A 56 56 ASN CA C 56 50.974 51.717 -0.743 1
1 648 . 9 1 1 A 56 56 ASN CB C 56 38.744 38.892 -0.148 1
1 649 . 9 1 1 A 56 56 ASN N N 56 122.245 121.736 0.509 1
1 651 . 9 1 1 A 57 57 PRO HA H 57 4.079 4.219 -0.140 1
1 658 . 9 1 1 A 57 57 PRO C C 57 176.856 177.461 -0.605 1
1 659 . 9 1 1 A 57 57 PRO CA C 57 64.733 64.884 -0.151 1
1 660 . 9 1 1 A 57 57 PRO CB C 57 31.968 31.776 0.192 1
1 663 . 9 1 1 A 58 58 ASP H H 58 8.024 8.469 -0.445 1
1 664 . 9 1 1 A 58 58 ASP HA H 58 4.445 4.446 -0.001 1
1 667 . 9 1 1 A 58 58 ASP C C 58 176.369 177.087 -0.718 1
1 668 . 9 1 1 A 58 58 ASP CA C 58 55.247 55.850 -0.603 1
1 669 . 9 1 1 A 58 58 ASP CB C 58 40.828 40.243 0.585 1
1 670 . 9 1 1 A 58 58 ASP N N 58 114.883 116.216 -1.333 1
1 671 . 9 1 1 A 59 59 GLU H H 59 7.663 7.573 0.090 1
1 672 . 9 1 1 A 59 59 GLU HA H 59 4.341 4.418 -0.077 1
1 677 . 9 1 1 A 59 59 GLU C C 59 175.690 175.814 -0.124 1
1 678 . 9 1 1 A 59 59 GLU CA C 59 55.425 56.336 -0.911 1
1 679 . 9 1 1 A 59 59 GLU CB C 59 31.140 30.229 0.911 1
1 681 . 9 1 1 A 59 59 GLU N N 59 117.763 116.148 1.615 1
1 682 . 9 1 1 A 60 60 ILE H H 60 7.457 7.615 -0.158 1
1 683 . 9 1 1 A 60 60 ILE HA H 60 3.962 4.329 -0.367 1
1 693 . 9 1 1 A 60 60 ILE C C 60 174.951 174.751 0.200 1
1 694 . 9 1 1 A 60 60 ILE CA C 60 61.416 60.310 1.106 1
1 695 . 9 1 1 A 60 60 ILE CB C 60 38.693 39.415 -0.722 1
1 699 . 9 1 1 A 60 60 ILE N N 60 120.600 121.055 -0.455 1
1 700 . 9 1 1 A 61 61 GLU H H 61 8.267 9.019 -0.752 1
1 701 . 9 1 1 A 61 61 GLU HA H 61 4.333 5.023 -0.690 1
1 706 . 9 1 1 A 61 61 GLU C C 61 175.576 174.748 0.828 1
1 707 . 9 1 1 A 61 61 GLU CA C 61 55.085 54.404 0.681 1
1 708 . 9 1 1 A 61 61 GLU CB C 61 30.717 33.424 -2.707 1
1 710 . 9 1 1 A 61 61 GLU N N 61 126.935 125.140 1.795 1
1 711 . 9 1 1 A 62 62 ILE H H 62 8.425 8.562 -0.137 1
1 712 . 9 1 1 A 62 62 ILE HA H 62 3.570 4.576 -1.006 1
1 722 . 9 1 1 A 62 62 ILE C C 62 174.594 175.222 -0.628 1
1 723 . 9 1 1 A 62 62 ILE CA C 62 61.570 59.652 1.918 1
1 724 . 9 1 1 A 62 62 ILE CB C 62 38.187 39.308 -1.121 1
1 728 . 9 1 1 A 62 62 ILE N N 62 124.857 121.751 3.106 1
1 729 . 9 1 1 A 63 63 ASP H H 63 8.459 8.606 -0.147 1
1 730 . 9 1 1 A 63 63 ASP HA H 63 4.691 5.233 -0.542 1
1 733 . 9 1 1 A 63 63 ASP C C 63 177.284 176.436 0.848 1
1 734 . 9 1 1 A 63 63 ASP CA C 63 52.272 52.779 -0.507 1
1 735 . 9 1 1 A 63 63 ASP CB C 63 41.160 43.346 -2.186 1
1 736 . 9 1 1 A 63 63 ASP N N 63 126.597 127.232 -0.635 1
1 737 . 9 1 1 A 64 64 PHE H H 64 8.609 8.947 -0.338 1
1 738 . 9 1 1 A 64 64 PHE HA H 64 4.016 4.273 -0.257 1
1 746 . 9 1 1 A 64 64 PHE C C 64 177.010 177.840 -0.830 1
1 747 . 9 1 1 A 64 64 PHE CA C 64 59.795 60.762 -0.967 1
1 748 . 9 1 1 A 64 64 PHE CB C 64 38.084 38.387 -0.303 1
1 754 . 9 1 1 A 64 64 PHE N N 64 123.270 122.672 0.598 1
1 755 . 9 1 1 A 65 65 GLU H H 65 8.317 8.506 -0.189 1
1 756 . 9 1 1 A 65 65 GLU HA H 65 4.171 4.243 -0.072 1
1 761 . 9 1 1 A 65 65 GLU C C 65 177.913 178.365 -0.452 1
1 762 . 9 1 1 A 65 65 GLU CA C 65 57.524 59.324 -1.800 1
1 763 . 9 1 1 A 65 65 GLU CB C 65 29.440 29.594 -0.154 1
1 765 . 9 1 1 A 65 65 GLU N N 65 114.355 120.593 -6.238 1
1 766 . 9 1 1 A 66 66 THR H H 66 7.388 7.390 -0.002 1
1 767 . 9 1 1 A 66 66 THR HA H 66 4.396 4.432 -0.036 1
1 772 . 9 1 1 A 66 66 THR C C 66 174.662 174.800 -0.138 1
1 773 . 9 1 1 A 66 66 THR CA C 66 61.316 62.843 -1.527 1
1 774 . 9 1 1 A 66 66 THR CB C 66 69.711 69.962 -0.251 1
1 776 . 9 1 1 A 66 66 THR N N 66 106.424 108.179 -1.755 1
1 777 . 9 1 1 A 67 67 LEU H H 67 6.677 7.148 -0.471 1
1 778 . 9 1 1 A 67 67 LEU HA H 67 4.350 4.215 0.135 1
1 788 . 9 1 1 A 67 67 LEU C C 67 176.647 176.799 -0.152 1
1 789 . 9 1 1 A 67 67 LEU CA C 67 54.104 55.168 -1.064 1
1 790 . 9 1 1 A 67 67 LEU CB C 67 43.365 42.142 1.223 1
1 794 . 9 1 1 A 67 67 LEU N N 67 120.589 124.152 -3.563 1
1 795 . 9 1 1 A 68 68 LYS H H 68 9.947 8.427 1.520 1
1 796 . 9 1 1 A 68 68 LYS HA H 68 4.387 4.644 -0.257 1
1 805 . 9 1 1 A 68 68 LYS C C 68 176.786 176.447 0.339 1
1 806 . 9 1 1 A 68 68 LYS CA C 68 55.574 53.881 1.693 1
1 807 . 9 1 1 A 68 68 LYS CB C 68 31.897 32.704 -0.807 1
1 811 . 9 1 1 A 68 68 LYS N N 68 123.363 121.101 2.262 1
1 812 . 9 1 1 A 69 69 PRO HA H 69 4.091 4.360 -0.269 1
1 819 . 9 1 1 A 69 69 PRO C C 69 178.646 178.155 0.491 1
1 820 . 9 1 1 A 69 69 PRO CA C 69 66.153 65.240 0.913 1
1 821 . 9 1 1 A 69 69 PRO CB C 69 31.985 31.891 0.094 1
1 824 . 9 1 1 A 70 70 SER H H 70 8.490 8.175 0.315 1
1 825 . 9 1 1 A 70 70 SER HA H 70 4.231 4.219 0.012 1
1 828 . 9 1 1 A 70 70 SER C C 70 177.784 177.395 0.389 1
1 829 . 9 1 1 A 70 70 SER CA C 70 60.787 61.229 -0.442 1
1 830 . 9 1 1 A 70 70 SER CB C 70 61.797 62.481 -0.684 1
1 831 . 9 1 1 A 70 70 SER N N 70 109.802 113.093 -3.291 1
1 832 . 9 1 1 A 71 71 THR H H 71 7.340 7.700 -0.360 1
1 833 . 9 1 1 A 71 71 THR HA H 71 3.735 3.929 -0.194 1
1 838 . 9 1 1 A 71 71 THR C C 71 176.072 176.372 -0.300 1
1 839 . 9 1 1 A 71 71 THR CA C 71 65.913 67.149 -1.236 1
1 840 . 9 1 1 A 71 71 THR CB C 71 67.239 68.747 -1.508 1
1 842 . 9 1 1 A 71 71 THR N N 71 122.295 116.815 5.480 1
1 843 . 9 1 1 A 72 72 LEU H H 72 7.839 8.139 -0.300 1
1 844 . 9 1 1 A 72 72 LEU HA H 72 3.713 3.933 -0.220 1
1 854 . 9 1 1 A 72 72 LEU C C 72 178.998 179.563 -0.565 1
1 855 . 9 1 1 A 72 72 LEU CA C 72 58.622 57.956 0.666 1
1 856 . 9 1 1 A 72 72 LEU CB C 72 40.911 41.544 -0.633 1
1 859 . 9 1 1 A 72 72 LEU N N 72 120.539 119.643 0.896 1
1 860 . 9 1 1 A 73 73 ARG H H 73 8.244 8.335 -0.091 1
1 861 . 9 1 1 A 73 73 ARG HA H 73 4.100 3.934 0.166 1
1 869 . 9 1 1 A 73 73 ARG C C 73 178.935 178.900 0.035 1
1 870 . 9 1 1 A 73 73 ARG CA C 73 57.649 59.946 -2.297 1
1 871 . 9 1 1 A 73 73 ARG CB C 73 28.923 30.094 -1.171 1
1 874 . 9 1 1 A 73 73 ARG N N 73 115.473 118.998 -3.525 1
1 876 . 9 1 1 A 74 74 GLU H H 74 7.758 7.978 -0.220 1
1 877 . 9 1 1 A 74 74 GLU HA H 74 4.139 4.105 0.034 1
1 882 . 9 1 1 A 74 74 GLU C C 74 179.640 179.351 0.289 1
1 883 . 9 1 1 A 74 74 GLU CA C 74 59.519 59.148 0.371 1
1 884 . 9 1 1 A 74 74 GLU CB C 74 28.670 29.542 -0.872 1
1 886 . 9 1 1 A 74 74 GLU N N 74 122.400 119.250 3.150 1
1 887 . 9 1 1 A 75 75 LEU H H 75 8.387 7.840 0.547 1
1 888 . 9 1 1 A 75 75 LEU HA H 75 4.070 4.076 -0.006 1
1 898 . 9 1 1 A 75 75 LEU C C 75 178.024 179.415 -1.391 1
1 899 . 9 1 1 A 75 75 LEU CA C 75 58.147 58.116 0.031 1
1 900 . 9 1 1 A 75 75 LEU CB C 75 42.673 41.261 1.412 1
1 904 . 9 1 1 A 75 75 LEU N N 75 119.699 120.238 -0.539 1
1 905 . 9 1 1 A 76 76 GLU H H 76 8.537 8.479 0.058 1
1 906 . 9 1 1 A 76 76 GLU HA H 76 3.751 4.001 -0.250 1
1 911 . 9 1 1 A 76 76 GLU C C 76 178.799 178.544 0.255 1
1 912 . 9 1 1 A 76 76 GLU CA C 76 59.871 59.797 0.074 1
1 913 . 9 1 1 A 76 76 GLU CB C 76 30.145 29.261 0.884 1
1 915 . 9 1 1 A 76 76 GLU N N 76 120.074 120.507 -0.433 1
1 916 . 9 1 1 A 77 77 ARG H H 77 8.032 7.351 0.681 1
1 917 . 9 1 1 A 77 77 ARG HA H 77 3.934 3.982 -0.048 1
1 924 . 9 1 1 A 77 77 ARG C C 77 179.220 177.962 1.258 1
1 925 . 9 1 1 A 77 77 ARG CA C 77 59.974 59.054 0.920 1
1 926 . 9 1 1 A 77 77 ARG CB C 77 30.413 29.859 0.554 1
1 929 . 9 1 1 A 77 77 ARG N N 77 120.100 119.366 0.734 1
1 930 . 9 1 1 A 78 78 TYR H H 78 8.084 7.988 0.096 1
1 931 . 9 1 1 A 78 78 TYR HA H 78 4.260 4.180 0.080 1
1 938 . 9 1 1 A 78 78 TYR C C 78 178.620 177.607 1.013 1
1 939 . 9 1 1 A 78 78 TYR CA C 78 61.507 61.266 0.241 1
1 940 . 9 1 1 A 78 78 TYR CB C 78 38.440 38.883 -0.443 1
1 945 . 9 1 1 A 78 78 TYR N N 78 120.327 120.603 -0.276 1
1 946 . 9 1 1 A 79 79 VAL H H 79 9.136 7.767 1.369 1
1 947 . 9 1 1 A 79 79 VAL HA H 79 3.161 3.582 -0.421 1
1 955 . 9 1 1 A 79 79 VAL C C 79 178.067 178.084 -0.017 1
1 956 . 9 1 1 A 79 79 VAL CA C 79 67.306 65.544 1.762 1
1 957 . 9 1 1 A 79 79 VAL CB C 79 31.505 31.616 -0.111 1
1 960 . 9 1 1 A 79 79 VAL N N 79 120.576 119.084 1.492 1
1 961 . 9 1 1 A 80 80 THR H H 80 8.297 8.116 0.181 1
1 962 . 9 1 1 A 80 80 THR HA H 80 3.721 3.938 -0.217 1
1 967 . 9 1 1 A 80 80 THR C C 80 176.623 176.307 0.316 1
1 968 . 9 1 1 A 80 80 THR CA C 80 66.823 66.081 0.742 1
1 969 . 9 1 1 A 80 80 THR CB C 80 68.508 68.263 0.245 1
1 971 . 9 1 1 A 80 80 THR N N 80 115.107 117.152 -2.045 1
1 972 . 9 1 1 A 81 81 SER H H 81 7.537 7.596 -0.059 1
1 973 . 9 1 1 A 81 81 SER HA H 81 4.165 4.095 0.070 1
1 976 . 9 1 1 A 81 81 SER C C 81 176.196 176.698 -0.502 1
1 977 . 9 1 1 A 81 81 SER CA C 81 61.371 61.377 -0.006 1
1 978 . 9 1 1 A 81 81 SER CB C 81 62.826 62.992 -0.166 1
1 979 . 9 1 1 A 81 81 SER N N 81 116.178 115.949 0.229 1
1 980 . 9 1 1 A 82 82 CYS H H 82 7.523 7.459 0.064 1
1 981 . 9 1 1 A 82 82 CYS HA H 82 4.084 4.335 -0.251 1
1 984 . 9 1 1 A 82 82 CYS C C 82 176.363 176.820 -0.457 1
1 985 . 9 1 1 A 82 82 CYS CA C 82 62.173 61.528 0.645 1
1 986 . 9 1 1 A 82 82 CYS CB C 82 27.872 27.776 0.096 1
1 987 . 9 1 1 A 82 82 CYS N N 82 118.207 119.363 -1.156 1
1 988 . 9 1 1 A 83 83 LEU H H 83 7.652 8.184 -0.532 1
1 989 . 9 1 1 A 83 83 LEU HA H 83 4.216 3.994 0.222 1
1 999 . 9 1 1 A 83 83 LEU C C 83 177.349 176.974 0.375 1
1 1000 . 9 1 1 A 83 83 LEU CA C 83 55.521 57.731 -2.210 1
1 1001 . 9 1 1 A 83 83 LEU CB C 83 42.550 41.751 0.799 1
1 1005 . 9 1 1 A 83 83 LEU N N 83 118.141 120.407 -2.266 1
1 1006 . 9 1 1 A 84 84 ARG H H 84 7.754 7.490 0.264 1
1 1007 . 9 1 1 A 84 84 ARG HA H 84 4.153 4.701 -0.548 1
1 1014 . 9 1 1 A 84 84 ARG C C 84 176.300 175.252 1.048 1
1 1015 . 9 1 1 A 84 84 ARG CA C 84 56.829 54.052 2.777 1
1 1016 . 9 1 1 A 84 84 ARG CB C 84 29.926 32.349 -2.423 1
1 1019 . 9 1 1 A 84 84 ARG N N 84 118.881 117.462 1.419 1
1 1020 . 9 1 1 A 85 85 LYS H H 85 7.904 8.312 -0.408 1
1 1021 . 9 1 1 A 85 85 LYS HA H 85 4.178 4.333 -0.155 1
1 1030 . 9 1 1 A 85 85 LYS C C 85 176.549 176.668 -0.119 1
1 1031 . 9 1 1 A 85 85 LYS CA C 85 56.514 56.575 -0.061 1
1 1032 . 9 1 1 A 85 85 LYS CB C 85 32.931 32.772 0.159 1
1 1036 . 9 1 1 A 85 85 LYS N N 85 120.528 121.695 -1.167 1
1 1037 . 9 1 1 A 86 86 LYS H H 86 8.139 8.529 -0.390 1
1 1038 . 9 1 1 A 86 86 LYS HA H 86 4.194 4.420 -0.226 1
1 1047 . 9 1 1 A 86 86 LYS C C 86 176.395 176.176 0.219 1
1 1048 . 9 1 1 A 86 86 LYS CA C 86 56.244 56.343 -0.099 1
1 1049 . 9 1 1 A 86 86 LYS CB C 86 32.971 32.620 0.351 1
1 1053 . 9 1 1 A 86 86 LYS N N 86 121.979 125.932 -3.953 1
1 1054 . 9 1 1 A 87 87 ARG H H 87 8.242 8.692 -0.450 1
1 1055 . 9 1 1 A 87 87 ARG HA H 87 4.223 4.803 -0.580 1
1 1062 . 9 1 1 A 87 87 ARG C C 87 175.989 175.577 0.412 1
1 1063 . 9 1 1 A 87 87 ARG CA C 87 55.953 54.322 1.631 1
1 1064 . 9 1 1 A 87 87 ARG CB C 87 31.019 33.559 -2.540 1
1 1067 . 9 1 1 A 87 87 ARG N N 87 122.606 123.859 -1.253 1
1 1068 . 9 1 1 A 88 88 LYS H H 88 8.318 8.711 -0.393 1
1 1069 . 9 1 1 A 88 88 LYS HA H 88 4.506 3.785 0.721 1
1 1074 . 9 1 1 A 88 88 LYS C C 88 174.589 174.740 -0.151 1
1 1075 . 9 1 1 A 88 88 LYS CA C 88 54.349 56.863 -2.514 1
1 1076 . 9 1 1 A 88 88 LYS CB C 88 32.576 31.017 1.559 1
1 1077 . 9 1 1 A 88 88 LYS N N 88 124.253 118.826 5.427 1
1 1078 . 9 1 1 A 89 89 PRO HA H 89 4.327 4.592 -0.265 1
1 1085 . 9 1 1 A 89 89 PRO C C 89 176.044 175.879 0.165 1
1 1086 . 9 1 1 A 89 89 PRO CA C 89 63.489 62.827 0.662 1
1 1087 . 9 1 1 A 89 89 PRO CB C 89 31.921 32.796 -0.875 1
1 1 . 10 1 1 A 4 4 GLY C C 4 174.318 171.424 2.894 1
1 2 . 10 1 1 A 4 4 GLY CA C 4 45.318 45.711 -0.393 1
1 3 . 10 1 1 A 5 5 SER H H 5 8.211 8.497 -0.286 1
1 4 . 10 1 1 A 5 5 SER HA H 5 4.460 5.022 -0.562 1
1 7 . 10 1 1 A 5 5 SER C C 5 174.891 172.148 2.743 1
1 8 . 10 1 1 A 5 5 SER CA C 5 58.299 57.034 1.265 1
1 9 . 10 1 1 A 5 5 SER CB C 5 64.052 63.806 0.246 1
1 10 . 10 1 1 A 5 5 SER N N 5 115.510 113.741 1.769 1
1 11 . 10 1 1 A 6 6 SER H H 6 8.444 8.389 0.055 1
1 12 . 10 1 1 A 6 6 SER HA H 6 4.428 4.887 -0.459 1
1 15 . 10 1 1 A 6 6 SER C C 6 175.096 174.837 0.259 1
1 16 . 10 1 1 A 6 6 SER CA C 6 58.706 57.517 1.189 1
1 17 . 10 1 1 A 6 6 SER CB C 6 63.920 66.471 -2.551 1
1 18 . 10 1 1 A 6 6 SER N N 6 117.613 115.447 2.166 1
1 19 . 10 1 1 A 7 7 GLY H H 7 8.359 8.912 -0.553 1
1 20 . 10 1 1 A 7 7 GLY HA2 H 7 3.916 3.879 0.037 1
1 21 . 10 1 1 A 7 7 GLY HA3 H 7 3.916 3.879 0.037 1
1 22 . 10 1 1 A 7 7 GLY C C 7 174.309 174.646 -0.337 1
1 23 . 10 1 1 A 7 7 GLY CA C 7 45.399 47.281 -1.882 1
1 24 . 10 1 1 A 7 7 GLY N N 7 110.468 113.085 -2.617 1
1 25 . 10 1 1 A 8 8 GLU H H 8 8.235 8.333 -0.098 1
1 26 . 10 1 1 A 8 8 GLU HA H 8 4.248 4.551 -0.303 1
1 31 . 10 1 1 A 8 8 GLU C C 8 176.732 175.877 0.855 1
1 32 . 10 1 1 A 8 8 GLU CA C 8 56.630 55.037 1.593 1
1 33 . 10 1 1 A 8 8 GLU CB C 8 30.243 27.849 2.394 1
1 35 . 10 1 1 A 8 8 GLU N N 8 120.254 124.424 -4.170 1
1 36 . 10 1 1 A 9 9 SER H H 9 8.327 8.728 -0.401 1
1 37 . 10 1 1 A 9 9 SER HA H 9 4.385 4.594 -0.209 1
1 40 . 10 1 1 A 9 9 SER C C 9 174.682 174.643 0.039 1
1 41 . 10 1 1 A 9 9 SER CA C 9 58.470 57.518 0.952 1
1 42 . 10 1 1 A 9 9 SER CB C 9 63.742 60.786 2.956 1
1 43 . 10 1 1 A 9 9 SER N N 9 116.213 122.209 -5.996 1
1 44 . 10 1 1 A 10 10 GLU H H 10 8.428 8.258 0.170 1
1 45 . 10 1 1 A 10 10 GLU HA H 10 4.232 4.047 0.185 1
1 50 . 10 1 1 A 10 10 GLU C C 10 176.769 179.298 -2.529 1
1 51 . 10 1 1 A 10 10 GLU CA C 10 56.887 59.349 -2.462 1
1 52 . 10 1 1 A 10 10 GLU CB C 10 30.267 29.319 0.948 1
1 54 . 10 1 1 A 10 10 GLU N N 10 122.618 123.869 -1.251 1
1 55 . 10 1 1 A 11 11 GLU H H 11 8.315 8.314 0.001 1
1 56 . 10 1 1 A 11 11 GLU HA H 11 4.179 4.061 0.118 1
1 61 . 10 1 1 A 11 11 GLU C C 11 177.182 178.888 -1.706 1
1 62 . 10 1 1 A 11 11 GLU CA C 11 56.896 59.155 -2.259 1
1 63 . 10 1 1 A 11 11 GLU CB C 11 30.317 29.433 0.884 1
1 65 . 10 1 1 A 11 11 GLU N N 11 120.909 119.617 1.292 1
1 66 . 10 1 1 A 12 12 GLU H H 12 8.333 7.979 0.354 1
1 67 . 10 1 1 A 12 12 GLU HA H 12 4.100 4.057 0.043 1
1 72 . 10 1 1 A 12 12 GLU C C 12 176.860 177.408 -0.548 1
1 73 . 10 1 1 A 12 12 GLU CA C 12 57.495 58.930 -1.435 1
1 74 . 10 1 1 A 12 12 GLU CB C 12 30.221 29.596 0.625 1
1 76 . 10 1 1 A 12 12 GLU N N 12 121.578 118.583 2.995 1
1 77 . 10 1 1 A 13 13 ASP H H 13 8.332 8.024 0.308 1
1 78 . 10 1 1 A 13 13 ASP HA H 13 4.468 4.854 -0.386 1
1 81 . 10 1 1 A 13 13 ASP C C 13 176.833 176.058 0.775 1
1 82 . 10 1 1 A 13 13 ASP CA C 13 54.921 53.334 1.587 1
1 83 . 10 1 1 A 13 13 ASP CB C 13 40.912 42.130 -1.218 1
1 84 . 10 1 1 A 13 13 ASP N N 13 120.147 118.599 1.548 1
1 85 . 10 1 1 A 14 14 LYS H H 14 8.014 7.567 0.447 1
1 86 . 10 1 1 A 14 14 LYS HA H 14 4.204 4.620 -0.416 1
1 95 . 10 1 1 A 14 14 LYS C C 14 176.568 175.392 1.176 1
1 96 . 10 1 1 A 14 14 LYS CA C 14 56.558 55.176 1.382 1
1 97 . 10 1 1 A 14 14 LYS CB C 14 32.598 34.256 -1.658 1
1 101 . 10 1 1 A 14 14 LYS N N 14 120.485 119.752 0.733 1
1 102 . 10 1 1 A 15 15 CYS H H 15 8.013 8.584 -0.571 1
1 103 . 10 1 1 A 15 15 CYS HA H 15 4.304 5.066 -0.762 1
1 106 . 10 1 1 A 15 15 CYS C C 15 173.801 172.604 1.197 1
1 107 . 10 1 1 A 15 15 CYS CA C 15 58.337 56.355 1.982 1
1 108 . 10 1 1 A 15 15 CYS CB C 15 28.061 32.377 -4.316 1
1 109 . 10 1 1 A 15 15 CYS N N 15 118.099 117.462 0.637 1
1 110 . 10 1 1 A 16 16 LYS H H 16 8.287 8.657 -0.370 1
1 111 . 10 1 1 A 16 16 LYS HA H 16 4.491 4.870 -0.379 1
1 120 . 10 1 1 A 16 16 LYS C C 16 175.117 174.127 0.990 1
1 121 . 10 1 1 A 16 16 LYS CA C 16 54.512 53.025 1.487 1
1 122 . 10 1 1 A 16 16 LYS CB C 16 32.697 35.911 -3.214 1
1 124 . 10 1 1 A 16 16 LYS N N 16 125.369 119.718 5.651 1
1 125 . 10 1 1 A 17 17 PRO HA H 17 4.247 4.827 -0.580 1
1 132 . 10 1 1 A 17 17 PRO C C 17 176.956 176.803 0.153 1
1 133 . 10 1 1 A 17 17 PRO CA C 17 63.088 62.612 0.476 1
1 134 . 10 1 1 A 17 17 PRO CB C 17 32.244 31.770 0.474 1
1 137 . 10 1 1 A 18 18 MET H H 18 8.516 8.375 0.141 1
1 138 . 10 1 1 A 18 18 MET HA H 18 4.488 4.604 -0.116 1
1 146 . 10 1 1 A 18 18 MET C C 18 176.759 176.378 0.381 1
1 147 . 10 1 1 A 18 18 MET CA C 18 56.169 55.094 1.075 1
1 148 . 10 1 1 A 18 18 MET CB C 18 35.531 32.152 3.379 1
1 151 . 10 1 1 A 18 18 MET N N 18 121.801 123.698 -1.897 1
1 152 . 10 1 1 A 19 19 SER H H 19 9.100 8.895 0.205 1
1 153 . 10 1 1 A 19 19 SER HA H 19 4.459 4.738 -0.279 1
1 156 . 10 1 1 A 19 19 SER C C 19 175.018 174.837 0.181 1
1 157 . 10 1 1 A 19 19 SER CA C 19 56.894 57.780 -0.886 1
1 158 . 10 1 1 A 19 19 SER CB C 19 65.854 64.271 1.583 1
1 159 . 10 1 1 A 19 19 SER N N 19 119.212 118.837 0.375 1
1 160 . 10 1 1 A 20 20 TYR H H 20 8.959 9.274 -0.315 1
1 161 . 10 1 1 A 20 20 TYR HA H 20 4.029 4.117 -0.088 1
1 168 . 10 1 1 A 20 20 TYR C C 20 177.960 177.398 0.562 1
1 169 . 10 1 1 A 20 20 TYR CA C 20 62.463 62.485 -0.022 1
1 170 . 10 1 1 A 20 20 TYR CB C 20 38.009 38.660 -0.651 1
1 175 . 10 1 1 A 20 20 TYR N N 20 121.218 126.096 -4.878 1
1 176 . 10 1 1 A 21 21 GLU H H 21 8.825 8.288 0.537 1
1 177 . 10 1 1 A 21 21 GLU HA H 21 3.811 3.656 0.155 1
1 182 . 10 1 1 A 21 21 GLU C C 21 179.481 179.340 0.141 1
1 183 . 10 1 1 A 21 21 GLU CA C 21 59.951 60.087 -0.136 1
1 184 . 10 1 1 A 21 21 GLU CB C 21 28.823 29.093 -0.270 1
1 186 . 10 1 1 A 21 21 GLU N N 21 118.696 117.920 0.776 1
1 187 . 10 1 1 A 22 22 GLU H H 22 7.771 8.069 -0.298 1
1 188 . 10 1 1 A 22 22 GLU HA H 22 3.899 4.094 -0.195 1
1 193 . 10 1 1 A 22 22 GLU C C 22 179.680 179.357 0.323 1
1 194 . 10 1 1 A 22 22 GLU CA C 22 59.498 59.059 0.439 1
1 195 . 10 1 1 A 22 22 GLU CB C 22 30.385 29.556 0.829 1
1 197 . 10 1 1 A 22 22 GLU N N 22 120.141 120.859 -0.718 1
1 198 . 10 1 1 A 23 23 LYS H H 23 8.101 7.747 0.354 1
1 199 . 10 1 1 A 23 23 LYS HA H 23 3.662 4.007 -0.345 1
1 208 . 10 1 1 A 23 23 LYS C C 23 178.250 178.823 -0.573 1
1 209 . 10 1 1 A 23 23 LYS CA C 23 60.345 59.805 0.540 1
1 210 . 10 1 1 A 23 23 LYS CB C 23 32.611 32.146 0.465 1
1 214 . 10 1 1 A 23 23 LYS N N 23 120.594 119.380 1.214 1
1 215 . 10 1 1 A 24 24 ARG H H 24 8.030 7.876 0.154 1
1 216 . 10 1 1 A 24 24 ARG HA H 24 3.721 3.633 0.088 1
1 223 . 10 1 1 A 24 24 ARG C C 24 178.992 178.602 0.390 1
1 224 . 10 1 1 A 24 24 ARG CA C 24 59.055 58.946 0.109 1
1 225 . 10 1 1 A 24 24 ARG CB C 24 29.623 29.769 -0.146 1
1 228 . 10 1 1 A 24 24 ARG N N 24 120.100 118.537 1.563 1
1 229 . 10 1 1 A 25 25 GLN H H 25 7.940 7.876 0.064 1
1 230 . 10 1 1 A 25 25 GLN HA H 25 3.706 3.970 -0.264 1
1 237 . 10 1 1 A 25 25 GLN C C 25 177.078 177.851 -0.773 1
1 238 . 10 1 1 A 25 25 GLN CA C 25 58.104 58.632 -0.528 1
1 239 . 10 1 1 A 25 25 GLN CB C 25 28.294 28.138 0.156 1
1 241 . 10 1 1 A 25 25 GLN N N 25 118.586 119.481 -0.895 1
1 243 . 10 1 1 A 26 26 LEU H H 26 7.843 8.053 -0.210 1
1 244 . 10 1 1 A 26 26 LEU HA H 26 4.182 4.065 0.117 1
1 254 . 10 1 1 A 26 26 LEU C C 26 178.116 178.747 -0.631 1
1 255 . 10 1 1 A 26 26 LEU CA C 26 57.867 57.801 0.066 1
1 256 . 10 1 1 A 26 26 LEU CB C 26 41.167 41.566 -0.399 1
1 259 . 10 1 1 A 26 26 LEU N N 26 119.570 121.534 -1.964 1
1 260 . 10 1 1 A 27 27 SER H H 27 7.710 7.735 -0.025 1
1 261 . 10 1 1 A 27 27 SER HA H 27 3.869 4.323 -0.454 1
1 264 . 10 1 1 A 27 27 SER C C 27 176.845 177.515 -0.670 1
1 265 . 10 1 1 A 27 27 SER CA C 27 61.478 61.378 0.100 1
1 266 . 10 1 1 A 27 27 SER CB C 27 62.828 62.789 0.039 1
1 267 . 10 1 1 A 27 27 SER N N 27 112.126 114.732 -2.606 1
1 268 . 10 1 1 A 28 28 LEU H H 28 7.613 7.914 -0.301 1
1 269 . 10 1 1 A 28 28 LEU HA H 28 3.954 3.916 0.038 1
1 279 . 10 1 1 A 28 28 LEU C C 28 180.044 178.604 1.440 1
1 280 . 10 1 1 A 28 28 LEU CA C 28 57.862 58.058 -0.196 1
1 281 . 10 1 1 A 28 28 LEU CB C 28 41.703 41.456 0.247 1
1 285 . 10 1 1 A 28 28 LEU N N 28 120.774 121.615 -0.841 1
1 286 . 10 1 1 A 29 29 ASP H H 29 8.476 7.720 0.756 1
1 287 . 10 1 1 A 29 29 ASP HA H 29 4.236 4.461 -0.225 1
1 290 . 10 1 1 A 29 29 ASP C C 29 179.532 178.980 0.552 1
1 291 . 10 1 1 A 29 29 ASP CA C 29 57.618 57.207 0.411 1
1 292 . 10 1 1 A 29 29 ASP CB C 29 40.447 41.208 -0.761 1
1 293 . 10 1 1 A 29 29 ASP N N 29 120.971 118.656 2.315 1
1 294 . 10 1 1 A 30 30 ILE H H 30 8.558 8.090 0.468 1
1 295 . 10 1 1 A 30 30 ILE HA H 30 3.564 3.725 -0.161 1
1 305 . 10 1 1 A 30 30 ILE C C 30 178.098 178.000 0.098 1
1 306 . 10 1 1 A 30 30 ILE CA C 30 65.616 65.053 0.563 1
1 307 . 10 1 1 A 30 30 ILE CB C 30 37.697 37.663 0.034 1
1 311 . 10 1 1 A 30 30 ILE N N 30 120.240 121.570 -1.330 1
1 312 . 10 1 1 A 31 31 ASN H H 31 7.350 8.162 -0.812 1
1 313 . 10 1 1 A 31 31 ASN HA H 31 4.560 4.590 -0.030 1
1 318 . 10 1 1 A 31 31 ASN C C 31 175.952 177.056 -1.104 1
1 319 . 10 1 1 A 31 31 ASN CA C 31 54.997 56.270 -1.273 1
1 320 . 10 1 1 A 31 31 ASN CB C 31 38.769 38.357 0.412 1
1 321 . 10 1 1 A 31 31 ASN N N 31 115.285 118.013 -2.728 1
1 323 . 10 1 1 A 32 32 LYS H H 32 7.509 7.884 -0.375 1
1 324 . 10 1 1 A 32 32 LYS HA H 32 4.286 4.376 -0.090 1
1 333 . 10 1 1 A 32 32 LYS C C 32 177.232 177.336 -0.104 1
1 334 . 10 1 1 A 32 32 LYS CA C 32 56.330 57.473 -1.143 1
1 335 . 10 1 1 A 32 32 LYS CB C 32 33.570 32.999 0.571 1
1 339 . 10 1 1 A 32 32 LYS N N 32 117.496 117.371 0.125 1
1 340 . 10 1 1 A 33 33 LEU H H 33 7.455 7.294 0.161 1
1 341 . 10 1 1 A 33 33 LEU HA H 33 4.265 4.414 -0.149 1
1 351 . 10 1 1 A 33 33 LEU CA C 33 53.436 53.593 -0.157 1
1 352 . 10 1 1 A 33 33 LEU CB C 33 41.464 41.418 0.046 1
1 356 . 10 1 1 A 33 33 LEU N N 33 120.501 121.021 -0.520 1
1 357 . 10 1 1 A 34 34 PRO HA H 34 4.561 4.644 -0.083 1
1 364 . 10 1 1 A 34 34 PRO C C 34 178.359 177.888 0.471 1
1 365 . 10 1 1 A 34 34 PRO CA C 34 62.251 62.361 -0.110 1
1 366 . 10 1 1 A 34 34 PRO CB C 34 32.489 32.359 0.130 1
1 369 . 10 1 1 A 35 35 GLY H H 35 8.865 8.686 0.179 1
1 370 . 10 1 1 A 35 35 GLY HA2 H 35 3.709 3.824 -0.115 1
1 371 . 10 1 1 A 35 35 GLY HA3 H 35 4.005 3.829 0.176 1
1 372 . 10 1 1 A 35 35 GLY C C 35 176.845 175.898 0.947 1
1 373 . 10 1 1 A 35 35 GLY CA C 35 48.165 47.297 0.868 1
1 374 . 10 1 1 A 35 35 GLY N N 35 109.986 109.845 0.141 1
1 375 . 10 1 1 A 36 36 GLU H H 36 9.360 9.056 0.304 1
1 376 . 10 1 1 A 36 36 GLU HA H 36 4.233 4.090 0.143 1
1 381 . 10 1 1 A 36 36 GLU C C 36 178.326 177.877 0.449 1
1 382 . 10 1 1 A 36 36 GLU CA C 36 58.964 58.718 0.246 1
1 383 . 10 1 1 A 36 36 GLU CB C 36 28.689 28.471 0.218 1
1 385 . 10 1 1 A 36 36 GLU N N 36 119.485 121.223 -1.738 1
1 386 . 10 1 1 A 37 37 LYS H H 37 7.734 7.829 -0.095 1
1 387 . 10 1 1 A 37 37 LYS HA H 37 4.516 4.411 0.105 1
1 396 . 10 1 1 A 37 37 LYS C C 37 178.698 178.334 0.364 1
1 397 . 10 1 1 A 37 37 LYS CA C 37 55.977 56.930 -0.953 1
1 398 . 10 1 1 A 37 37 LYS CB C 37 32.981 33.009 -0.028 1
1 402 . 10 1 1 A 37 37 LYS N N 37 116.668 119.044 -2.376 1
1 403 . 10 1 1 A 38 38 LEU H H 38 7.882 8.124 -0.242 1
1 404 . 10 1 1 A 38 38 LEU HA H 38 4.103 3.981 0.122 1
1 414 . 10 1 1 A 38 38 LEU C C 38 179.042 178.719 0.323 1
1 415 . 10 1 1 A 38 38 LEU CA C 38 57.832 57.963 -0.131 1
1 416 . 10 1 1 A 38 38 LEU CB C 38 41.753 41.883 -0.130 1
1 420 . 10 1 1 A 38 38 LEU N N 38 121.898 121.843 0.055 1
1 421 . 10 1 1 A 39 39 GLY H H 39 8.212 7.670 0.542 1
1 422 . 10 1 1 A 39 39 GLY HA2 H 39 3.720 3.993 -0.273 1
1 423 . 10 1 1 A 39 39 GLY HA3 H 39 3.853 4.001 -0.148 1
1 424 . 10 1 1 A 39 39 GLY C C 39 176.507 175.088 1.419 1
1 425 . 10 1 1 A 39 39 GLY CA C 39 47.218 46.560 0.658 1
1 426 . 10 1 1 A 39 39 GLY N N 39 106.042 106.093 -0.051 1
1 427 . 10 1 1 A 40 40 ARG H H 40 7.416 7.758 -0.342 1
1 428 . 10 1 1 A 40 40 ARG HA H 40 4.031 4.214 -0.183 1
1 435 . 10 1 1 A 40 40 ARG C C 40 177.974 178.665 -0.691 1
1 436 . 10 1 1 A 40 40 ARG CA C 40 57.460 58.164 -0.704 1
1 437 . 10 1 1 A 40 40 ARG CB C 40 29.051 30.124 -1.073 1
1 440 . 10 1 1 A 40 40 ARG N N 40 120.046 120.871 -0.825 1
1 441 . 10 1 1 A 41 41 VAL H H 41 7.417 7.985 -0.568 1
1 442 . 10 1 1 A 41 41 VAL HA H 41 3.285 3.400 -0.115 1
1 450 . 10 1 1 A 41 41 VAL C C 41 177.090 177.642 -0.552 1
1 451 . 10 1 1 A 41 41 VAL CA C 41 66.979 66.376 0.603 1
1 452 . 10 1 1 A 41 41 VAL CB C 41 31.059 31.580 -0.521 1
1 455 . 10 1 1 A 41 41 VAL N N 41 119.285 119.696 -0.411 1
1 456 . 10 1 1 A 42 42 VAL H H 42 7.493 7.618 -0.125 1
1 457 . 10 1 1 A 42 42 VAL HA H 42 3.395 3.601 -0.206 1
1 465 . 10 1 1 A 42 42 VAL C C 42 177.200 177.886 -0.686 1
1 466 . 10 1 1 A 42 42 VAL CA C 42 66.764 65.308 1.456 1
1 467 . 10 1 1 A 42 42 VAL CB C 42 31.296 31.229 0.067 1
1 470 . 10 1 1 A 42 42 VAL N N 42 116.606 120.138 -3.532 1
1 471 . 10 1 1 A 43 43 HIS H H 43 7.602 8.244 -0.642 1
1 472 . 10 1 1 A 43 43 HIS HA H 43 4.264 4.191 0.073 1
1 477 . 10 1 1 A 43 43 HIS C C 43 178.854 177.289 1.565 1
1 478 . 10 1 1 A 43 43 HIS CA C 43 59.824 59.956 -0.132 1
1 479 . 10 1 1 A 43 43 HIS CB C 43 30.605 29.522 1.083 1
1 482 . 10 1 1 A 43 43 HIS N N 43 118.867 120.572 -1.705 1
1 483 . 10 1 1 A 44 44 ILE H H 44 8.344 7.915 0.429 1
1 484 . 10 1 1 A 44 44 ILE HA H 44 3.375 3.602 -0.227 1
1 494 . 10 1 1 A 44 44 ILE C C 44 178.054 178.320 -0.266 1
1 495 . 10 1 1 A 44 44 ILE CA C 44 65.922 64.400 1.522 1
1 496 . 10 1 1 A 44 44 ILE CB C 44 37.950 37.644 0.306 1
1 500 . 10 1 1 A 44 44 ILE N N 44 121.530 119.358 2.172 1
1 501 . 10 1 1 A 45 45 ILE H H 45 7.604 7.660 -0.056 1
1 502 . 10 1 1 A 45 45 ILE HA H 45 3.311 3.512 -0.201 1
1 512 . 10 1 1 A 45 45 ILE C C 45 177.378 178.081 -0.703 1
1 513 . 10 1 1 A 45 45 ILE CA C 45 66.577 64.898 1.679 1
1 514 . 10 1 1 A 45 45 ILE CB C 45 38.168 37.419 0.749 1
1 518 . 10 1 1 A 45 45 ILE N N 45 117.572 120.900 -3.328 1
1 519 . 10 1 1 A 46 46 GLN H H 46 8.626 8.260 0.366 1
1 520 . 10 1 1 A 46 46 GLN HA H 46 3.719 3.994 -0.275 1
1 527 . 10 1 1 A 46 46 GLN C C 46 177.483 178.005 -0.522 1
1 528 . 10 1 1 A 46 46 GLN CA C 46 59.443 58.514 0.929 1
1 529 . 10 1 1 A 46 46 GLN CB C 46 28.832 28.524 0.308 1
1 531 . 10 1 1 A 46 46 GLN N N 46 115.916 119.078 -3.162 1
1 533 . 10 1 1 A 47 47 SER H H 47 7.862 7.709 0.153 1
1 534 . 10 1 1 A 47 47 SER HA H 47 4.064 4.226 -0.162 1
1 537 . 10 1 1 A 47 47 SER C C 47 175.615 176.615 -1.000 1
1 538 . 10 1 1 A 47 47 SER CA C 47 60.602 61.278 -0.676 1
1 539 . 10 1 1 A 47 47 SER CB C 47 63.313 63.059 0.254 1
1 540 . 10 1 1 A 47 47 SER N N 47 110.902 115.818 -4.916 1
1 541 . 10 1 1 A 48 48 ARG H H 48 7.362 7.703 -0.341 1
1 542 . 10 1 1 A 48 48 ARG HA H 48 4.306 4.286 0.020 1
1 549 . 10 1 1 A 48 48 ARG C C 48 176.365 176.318 0.047 1
1 550 . 10 1 1 A 48 48 ARG CA C 48 55.992 58.019 -2.027 1
1 551 . 10 1 1 A 48 48 ARG CB C 48 33.000 31.049 1.951 1
1 554 . 10 1 1 A 48 48 ARG N N 48 118.403 118.683 -0.280 1
1 555 . 10 1 1 A 49 49 GLU H H 49 7.714 8.062 -0.348 1
1 556 . 10 1 1 A 49 49 GLU HA H 49 4.806 4.719 0.087 1
1 561 . 10 1 1 A 49 49 GLU C C 49 174.213 174.944 -0.731 1
1 562 . 10 1 1 A 49 49 GLU CA C 49 52.903 53.373 -0.470 1
1 563 . 10 1 1 A 49 49 GLU CB C 49 28.835 30.256 -1.421 1
1 565 . 10 1 1 A 49 49 GLU N N 49 118.387 118.958 -0.571 1
1 566 . 10 1 1 A 50 50 PRO HA H 50 4.273 4.285 -0.012 1
1 573 . 10 1 1 A 50 50 PRO C C 50 178.412 178.353 0.059 1
1 574 . 10 1 1 A 50 50 PRO CA C 50 64.641 65.161 -0.520 1
1 575 . 10 1 1 A 50 50 PRO CB C 50 32.045 31.812 0.233 1
1 578 . 10 1 1 A 51 51 SER H H 51 8.290 8.316 -0.026 1
1 579 . 10 1 1 A 51 51 SER HA H 51 4.271 4.167 0.104 1
1 582 . 10 1 1 A 51 51 SER C C 51 175.130 177.267 -2.137 1
1 583 . 10 1 1 A 51 51 SER CA C 51 59.824 61.483 -1.659 1
1 584 . 10 1 1 A 51 51 SER CB C 51 63.071 62.233 0.838 1
1 585 . 10 1 1 A 51 51 SER N N 51 112.214 112.539 -0.325 1
1 586 . 10 1 1 A 52 52 LEU H H 52 7.882 8.335 -0.453 1
1 587 . 10 1 1 A 52 52 LEU HA H 52 4.479 4.041 0.438 1
1 597 . 10 1 1 A 52 52 LEU C C 52 177.843 178.589 -0.746 1
1 598 . 10 1 1 A 52 52 LEU CA C 52 54.734 56.951 -2.217 1
1 599 . 10 1 1 A 52 52 LEU CB C 52 42.500 41.193 1.307 1
1 603 . 10 1 1 A 52 52 LEU N N 52 121.800 121.366 0.434 1
1 604 . 10 1 1 A 53 53 LYS H H 53 7.638 7.905 -0.267 1
1 605 . 10 1 1 A 53 53 LYS HA H 53 4.022 4.037 -0.015 1
1 614 . 10 1 1 A 53 53 LYS C C 53 176.270 177.590 -1.320 1
1 615 . 10 1 1 A 53 53 LYS CA C 53 58.288 58.473 -0.185 1
1 616 . 10 1 1 A 53 53 LYS CB C 53 32.924 32.210 0.714 1
1 620 . 10 1 1 A 53 53 LYS N N 53 121.559 120.615 0.944 1
1 621 . 10 1 1 A 54 54 ASN H H 54 8.266 7.851 0.415 1
1 622 . 10 1 1 A 54 54 ASN HA H 54 4.732 4.892 -0.160 1
1 627 . 10 1 1 A 54 54 ASN C C 54 175.097 173.512 1.585 1
1 628 . 10 1 1 A 54 54 ASN CA C 54 53.020 53.086 -0.066 1
1 629 . 10 1 1 A 54 54 ASN CB C 54 38.863 39.093 -0.230 1
1 630 . 10 1 1 A 54 54 ASN N N 54 116.053 115.985 0.068 1
1 632 . 10 1 1 A 55 55 SER H H 55 7.692 7.631 0.061 1
1 633 . 10 1 1 A 55 55 SER HA H 55 4.288 4.894 -0.606 1
1 636 . 10 1 1 A 55 55 SER C C 55 173.418 172.684 0.734 1
1 637 . 10 1 1 A 55 55 SER CA C 55 58.900 57.544 1.356 1
1 638 . 10 1 1 A 55 55 SER CB C 55 63.914 66.389 -2.475 1
1 639 . 10 1 1 A 55 55 SER N N 55 115.901 116.036 -0.135 1
1 640 . 10 1 1 A 56 56 ASN H H 56 8.574 8.604 -0.030 1
1 641 . 10 1 1 A 56 56 ASN HA H 56 4.857 4.848 0.009 1
1 646 . 10 1 1 A 56 56 ASN C C 56 174.843 175.620 -0.777 1
1 647 . 10 1 1 A 56 56 ASN CA C 56 50.974 51.167 -0.193 1
1 648 . 10 1 1 A 56 56 ASN CB C 56 38.744 39.443 -0.699 1
1 649 . 10 1 1 A 56 56 ASN N N 56 122.245 122.915 -0.670 1
1 651 . 10 1 1 A 57 57 PRO HA H 57 4.079 4.207 -0.128 1
1 658 . 10 1 1 A 57 57 PRO C C 57 176.856 177.561 -0.705 1
1 659 . 10 1 1 A 57 57 PRO CA C 57 64.733 65.112 -0.379 1
1 660 . 10 1 1 A 57 57 PRO CB C 57 31.968 31.784 0.184 1
1 663 . 10 1 1 A 58 58 ASP H H 58 8.024 8.315 -0.291 1
1 664 . 10 1 1 A 58 58 ASP HA H 58 4.445 4.436 0.009 1
1 667 . 10 1 1 A 58 58 ASP C C 58 176.369 177.383 -1.014 1
1 668 . 10 1 1 A 58 58 ASP CA C 58 55.247 56.599 -1.352 1
1 669 . 10 1 1 A 58 58 ASP CB C 58 40.828 40.551 0.277 1
1 670 . 10 1 1 A 58 58 ASP N N 58 114.883 116.675 -1.792 1
1 671 . 10 1 1 A 59 59 GLU H H 59 7.663 7.801 -0.138 1
1 672 . 10 1 1 A 59 59 GLU HA H 59 4.341 4.342 -0.001 1
1 677 . 10 1 1 A 59 59 GLU C C 59 175.690 176.907 -1.217 1
1 678 . 10 1 1 A 59 59 GLU CA C 59 55.425 57.458 -2.033 1
1 679 . 10 1 1 A 59 59 GLU CB C 59 31.140 30.217 0.923 1
1 681 . 10 1 1 A 59 59 GLU N N 59 117.763 116.049 1.714 1
1 682 . 10 1 1 A 60 60 ILE H H 60 7.457 6.967 0.490 1
1 683 . 10 1 1 A 60 60 ILE HA H 60 3.962 4.031 -0.069 1
1 693 . 10 1 1 A 60 60 ILE C C 60 174.951 175.128 -0.177 1
1 694 . 10 1 1 A 60 60 ILE CA C 60 61.416 61.108 0.308 1
1 695 . 10 1 1 A 60 60 ILE CB C 60 38.693 38.089 0.604 1
1 699 . 10 1 1 A 60 60 ILE N N 60 120.600 121.532 -0.932 1
1 700 . 10 1 1 A 61 61 GLU H H 61 8.267 8.571 -0.304 1
1 701 . 10 1 1 A 61 61 GLU HA H 61 4.333 4.817 -0.484 1
1 706 . 10 1 1 A 61 61 GLU C C 61 175.576 176.182 -0.606 1
1 707 . 10 1 1 A 61 61 GLU CA C 61 55.085 54.885 0.200 1
1 708 . 10 1 1 A 61 61 GLU CB C 61 30.717 31.221 -0.504 1
1 710 . 10 1 1 A 61 61 GLU N N 61 126.935 126.990 -0.055 1
1 711 . 10 1 1 A 62 62 ILE H H 62 8.425 8.476 -0.051 1
1 712 . 10 1 1 A 62 62 ILE HA H 62 3.570 4.319 -0.749 1
1 722 . 10 1 1 A 62 62 ILE C C 62 174.594 174.038 0.556 1
1 723 . 10 1 1 A 62 62 ILE CA C 62 61.570 60.031 1.539 1
1 724 . 10 1 1 A 62 62 ILE CB C 62 38.187 38.050 0.137 1
1 728 . 10 1 1 A 62 62 ILE N N 62 124.857 123.081 1.776 1
1 729 . 10 1 1 A 63 63 ASP H H 63 8.459 8.539 -0.080 1
1 730 . 10 1 1 A 63 63 ASP HA H 63 4.691 5.023 -0.332 1
1 733 . 10 1 1 A 63 63 ASP C C 63 177.284 176.059 1.225 1
1 734 . 10 1 1 A 63 63 ASP CA C 63 52.272 52.871 -0.599 1
1 735 . 10 1 1 A 63 63 ASP CB C 63 41.160 42.400 -1.240 1
1 736 . 10 1 1 A 63 63 ASP N N 63 126.597 128.255 -1.658 1
1 737 . 10 1 1 A 64 64 PHE H H 64 8.609 8.835 -0.226 1
1 738 . 10 1 1 A 64 64 PHE HA H 64 4.016 4.307 -0.291 1
1 746 . 10 1 1 A 64 64 PHE C C 64 177.010 176.899 0.111 1
1 747 . 10 1 1 A 64 64 PHE CA C 64 59.795 60.739 -0.944 1
1 748 . 10 1 1 A 64 64 PHE CB C 64 38.084 38.162 -0.078 1
1 754 . 10 1 1 A 64 64 PHE N N 64 123.270 122.836 0.434 1
1 755 . 10 1 1 A 65 65 GLU H H 65 8.317 8.846 -0.529 1
1 756 . 10 1 1 A 65 65 GLU HA H 65 4.171 4.244 -0.073 1
1 761 . 10 1 1 A 65 65 GLU C C 65 177.913 177.487 0.426 1
1 762 . 10 1 1 A 65 65 GLU CA C 65 57.524 58.213 -0.689 1
1 763 . 10 1 1 A 65 65 GLU CB C 65 29.440 28.597 0.843 1
1 765 . 10 1 1 A 65 65 GLU N N 65 114.355 117.959 -3.604 1
1 766 . 10 1 1 A 66 66 THR H H 66 7.388 7.324 0.064 1
1 767 . 10 1 1 A 66 66 THR HA H 66 4.396 4.596 -0.200 1
1 772 . 10 1 1 A 66 66 THR C C 66 174.662 174.774 -0.112 1
1 773 . 10 1 1 A 66 66 THR CA C 66 61.316 61.703 -0.387 1
1 774 . 10 1 1 A 66 66 THR CB C 66 69.711 70.760 -1.049 1
1 776 . 10 1 1 A 66 66 THR N N 66 106.424 107.149 -0.725 1
1 777 . 10 1 1 A 67 67 LEU H H 67 6.677 7.040 -0.363 1
1 778 . 10 1 1 A 67 67 LEU HA H 67 4.350 4.215 0.135 1
1 788 . 10 1 1 A 67 67 LEU C C 67 176.647 177.138 -0.491 1
1 789 . 10 1 1 A 67 67 LEU CA C 67 54.104 54.825 -0.721 1
1 790 . 10 1 1 A 67 67 LEU CB C 67 43.365 41.985 1.380 1
1 794 . 10 1 1 A 67 67 LEU N N 67 120.589 124.153 -3.564 1
1 795 . 10 1 1 A 68 68 LYS H H 68 9.947 8.790 1.157 1
1 796 . 10 1 1 A 68 68 LYS HA H 68 4.387 4.486 -0.099 1
1 805 . 10 1 1 A 68 68 LYS C C 68 176.786 176.641 0.145 1
1 806 . 10 1 1 A 68 68 LYS CA C 68 55.574 54.250 1.324 1
1 807 . 10 1 1 A 68 68 LYS CB C 68 31.897 31.853 0.044 1
1 811 . 10 1 1 A 68 68 LYS N N 68 123.363 121.492 1.871 1
1 812 . 10 1 1 A 69 69 PRO HA H 69 4.091 4.351 -0.260 1
1 819 . 10 1 1 A 69 69 PRO C C 69 178.646 178.127 0.519 1
1 820 . 10 1 1 A 69 69 PRO CA C 69 66.153 65.073 1.080 1
1 821 . 10 1 1 A 69 69 PRO CB C 69 31.985 32.032 -0.047 1
1 824 . 10 1 1 A 70 70 SER H H 70 8.490 8.262 0.228 1
1 825 . 10 1 1 A 70 70 SER HA H 70 4.231 4.206 0.025 1
1 828 . 10 1 1 A 70 70 SER C C 70 177.784 177.457 0.327 1
1 829 . 10 1 1 A 70 70 SER CA C 70 60.787 61.335 -0.548 1
1 830 . 10 1 1 A 70 70 SER CB C 70 61.797 62.281 -0.484 1
1 831 . 10 1 1 A 70 70 SER N N 70 109.802 113.240 -3.438 1
1 832 . 10 1 1 A 71 71 THR H H 71 7.340 7.730 -0.390 1
1 833 . 10 1 1 A 71 71 THR HA H 71 3.735 3.947 -0.212 1
1 838 . 10 1 1 A 71 71 THR C C 71 176.072 176.275 -0.203 1
1 839 . 10 1 1 A 71 71 THR CA C 71 65.913 67.282 -1.369 1
1 840 . 10 1 1 A 71 71 THR CB C 71 67.239 68.974 -1.735 1
1 842 . 10 1 1 A 71 71 THR N N 71 122.295 116.970 5.325 1
1 843 . 10 1 1 A 72 72 LEU H H 72 7.839 8.158 -0.319 1
1 844 . 10 1 1 A 72 72 LEU HA H 72 3.713 3.933 -0.220 1
1 854 . 10 1 1 A 72 72 LEU C C 72 178.998 179.395 -0.397 1
1 855 . 10 1 1 A 72 72 LEU CA C 72 58.622 58.091 0.531 1
1 856 . 10 1 1 A 72 72 LEU CB C 72 40.911 41.183 -0.272 1
1 859 . 10 1 1 A 72 72 LEU N N 72 120.539 119.979 0.560 1
1 860 . 10 1 1 A 73 73 ARG H H 73 8.244 8.389 -0.145 1
1 861 . 10 1 1 A 73 73 ARG HA H 73 4.100 3.917 0.183 1
1 869 . 10 1 1 A 73 73 ARG C C 73 178.935 178.715 0.220 1
1 870 . 10 1 1 A 73 73 ARG CA C 73 57.649 60.041 -2.392 1
1 871 . 10 1 1 A 73 73 ARG CB C 73 28.923 29.889 -0.966 1
1 874 . 10 1 1 A 73 73 ARG N N 73 115.473 118.331 -2.858 1
1 876 . 10 1 1 A 74 74 GLU H H 74 7.758 7.665 0.093 1
1 877 . 10 1 1 A 74 74 GLU HA H 74 4.139 4.123 0.016 1
1 882 . 10 1 1 A 74 74 GLU C C 74 179.640 179.659 -0.019 1
1 883 . 10 1 1 A 74 74 GLU CA C 74 59.519 59.244 0.275 1
1 884 . 10 1 1 A 74 74 GLU CB C 74 28.670 29.236 -0.566 1
1 886 . 10 1 1 A 74 74 GLU N N 74 122.400 120.125 2.275 1
1 887 . 10 1 1 A 75 75 LEU H H 75 8.387 7.672 0.715 1
1 888 . 10 1 1 A 75 75 LEU HA H 75 4.070 4.047 0.023 1
1 898 . 10 1 1 A 75 75 LEU C C 75 178.024 179.030 -1.006 1
1 899 . 10 1 1 A 75 75 LEU CA C 75 58.147 57.983 0.164 1
1 900 . 10 1 1 A 75 75 LEU CB C 75 42.673 41.505 1.168 1
1 904 . 10 1 1 A 75 75 LEU N N 75 119.699 119.866 -0.167 1
1 905 . 10 1 1 A 76 76 GLU H H 76 8.537 8.380 0.157 1
1 906 . 10 1 1 A 76 76 GLU HA H 76 3.751 3.872 -0.121 1
1 911 . 10 1 1 A 76 76 GLU C C 76 178.799 179.268 -0.469 1
1 912 . 10 1 1 A 76 76 GLU CA C 76 59.871 60.132 -0.261 1
1 913 . 10 1 1 A 76 76 GLU CB C 76 30.145 29.276 0.869 1
1 915 . 10 1 1 A 76 76 GLU N N 76 120.074 120.170 -0.096 1
1 916 . 10 1 1 A 77 77 ARG H H 77 8.032 7.575 0.457 1
1 917 . 10 1 1 A 77 77 ARG HA H 77 3.934 4.090 -0.156 1
1 924 . 10 1 1 A 77 77 ARG C C 77 179.220 178.349 0.871 1
1 925 . 10 1 1 A 77 77 ARG CA C 77 59.974 59.641 0.333 1
1 926 . 10 1 1 A 77 77 ARG CB C 77 30.413 29.828 0.585 1
1 929 . 10 1 1 A 77 77 ARG N N 77 120.100 118.846 1.254 1
1 930 . 10 1 1 A 78 78 TYR H H 78 8.084 8.070 0.014 1
1 931 . 10 1 1 A 78 78 TYR HA H 78 4.260 4.207 0.053 1
1 938 . 10 1 1 A 78 78 TYR C C 78 178.620 177.277 1.343 1
1 939 . 10 1 1 A 78 78 TYR CA C 78 61.507 61.221 0.286 1
1 940 . 10 1 1 A 78 78 TYR CB C 78 38.440 38.547 -0.107 1
1 945 . 10 1 1 A 78 78 TYR N N 78 120.327 121.284 -0.957 1
1 946 . 10 1 1 A 79 79 VAL H H 79 9.136 8.453 0.683 1
1 947 . 10 1 1 A 79 79 VAL HA H 79 3.161 3.771 -0.610 1
1 955 . 10 1 1 A 79 79 VAL C C 79 178.067 178.187 -0.120 1
1 956 . 10 1 1 A 79 79 VAL CA C 79 67.306 65.713 1.593 1
1 957 . 10 1 1 A 79 79 VAL CB C 79 31.505 31.646 -0.141 1
1 960 . 10 1 1 A 79 79 VAL N N 79 120.576 118.989 1.587 1
1 961 . 10 1 1 A 80 80 THR H H 80 8.297 8.111 0.186 1
1 962 . 10 1 1 A 80 80 THR HA H 80 3.721 4.019 -0.298 1
1 967 . 10 1 1 A 80 80 THR C C 80 176.623 176.044 0.579 1
1 968 . 10 1 1 A 80 80 THR CA C 80 66.823 66.059 0.764 1
1 969 . 10 1 1 A 80 80 THR CB C 80 68.508 68.447 0.061 1
1 971 . 10 1 1 A 80 80 THR N N 80 115.107 117.171 -2.064 1
1 972 . 10 1 1 A 81 81 SER H H 81 7.537 7.985 -0.448 1
1 973 . 10 1 1 A 81 81 SER HA H 81 4.165 4.368 -0.203 1
1 976 . 10 1 1 A 81 81 SER C C 81 176.196 175.968 0.228 1
1 977 . 10 1 1 A 81 81 SER CA C 81 61.371 60.762 0.609 1
1 978 . 10 1 1 A 81 81 SER CB C 81 62.826 63.487 -0.661 1
1 979 . 10 1 1 A 81 81 SER N N 81 116.178 117.460 -1.282 1
1 980 . 10 1 1 A 82 82 CYS H H 82 7.523 7.761 -0.238 1
1 981 . 10 1 1 A 82 82 CYS HA H 82 4.084 4.200 -0.116 1
1 984 . 10 1 1 A 82 82 CYS C C 82 176.363 176.603 -0.240 1
1 985 . 10 1 1 A 82 82 CYS CA C 82 62.173 63.555 -1.382 1
1 986 . 10 1 1 A 82 82 CYS CB C 82 27.872 27.690 0.182 1
1 987 . 10 1 1 A 82 82 CYS N N 82 118.207 119.813 -1.606 1
1 988 . 10 1 1 A 83 83 LEU H H 83 7.652 7.559 0.093 1
1 989 . 10 1 1 A 83 83 LEU HA H 83 4.216 4.286 -0.070 1
1 999 . 10 1 1 A 83 83 LEU C C 83 177.349 176.141 1.208 1
1 1000 . 10 1 1 A 83 83 LEU CA C 83 55.521 55.094 0.427 1
1 1001 . 10 1 1 A 83 83 LEU CB C 83 42.550 41.917 0.633 1
1 1005 . 10 1 1 A 83 83 LEU N N 83 118.141 118.751 -0.610 1
1 1006 . 10 1 1 A 84 84 ARG H H 84 7.754 7.557 0.197 1
1 1007 . 10 1 1 A 84 84 ARG HA H 84 4.153 4.788 -0.635 1
1 1014 . 10 1 1 A 84 84 ARG C C 84 176.300 176.130 0.170 1
1 1015 . 10 1 1 A 84 84 ARG CA C 84 56.829 54.354 2.475 1
1 1016 . 10 1 1 A 84 84 ARG CB C 84 29.926 33.156 -3.230 1
1 1019 . 10 1 1 A 84 84 ARG N N 84 118.881 120.592 -1.711 1
1 1020 . 10 1 1 A 85 85 LYS H H 85 7.904 8.529 -0.625 1
1 1021 . 10 1 1 A 85 85 LYS HA H 85 4.178 4.030 0.148 1
1 1030 . 10 1 1 A 85 85 LYS C C 85 176.549 176.419 0.130 1
1 1031 . 10 1 1 A 85 85 LYS CA C 85 56.514 58.865 -2.351 1
1 1032 . 10 1 1 A 85 85 LYS CB C 85 32.931 32.958 -0.027 1
1 1036 . 10 1 1 A 85 85 LYS N N 85 120.528 123.438 -2.910 1
1 1037 . 10 1 1 A 86 86 LYS H H 86 8.139 7.704 0.435 1
1 1038 . 10 1 1 A 86 86 LYS HA H 86 4.194 4.754 -0.560 1
1 1047 . 10 1 1 A 86 86 LYS C C 86 176.395 174.168 2.227 1
1 1048 . 10 1 1 A 86 86 LYS CA C 86 56.244 55.473 0.771 1
1 1049 . 10 1 1 A 86 86 LYS CB C 86 32.971 36.177 -3.206 1
1 1053 . 10 1 1 A 86 86 LYS N N 86 121.979 115.901 6.078 1
1 1054 . 10 1 1 A 87 87 ARG H H 87 8.242 8.660 -0.418 1
1 1055 . 10 1 1 A 87 87 ARG HA H 87 4.223 4.759 -0.536 1
1 1062 . 10 1 1 A 87 87 ARG C C 87 175.989 175.372 0.617 1
1 1063 . 10 1 1 A 87 87 ARG CA C 87 55.953 53.913 2.040 1
1 1064 . 10 1 1 A 87 87 ARG CB C 87 31.019 33.711 -2.692 1
1 1067 . 10 1 1 A 87 87 ARG N N 87 122.606 123.098 -0.492 1
1 1068 . 10 1 1 A 88 88 LYS H H 88 8.318 8.709 -0.391 1
1 1069 . 10 1 1 A 88 88 LYS HA H 88 4.506 3.776 0.730 1
1 1074 . 10 1 1 A 88 88 LYS C C 88 174.589 174.831 -0.242 1
1 1075 . 10 1 1 A 88 88 LYS CA C 88 54.349 56.820 -2.471 1
1 1076 . 10 1 1 A 88 88 LYS CB C 88 32.576 30.935 1.641 1
1 1077 . 10 1 1 A 88 88 LYS N N 88 124.253 117.875 6.378 1
1 1078 . 10 1 1 A 89 89 PRO HA H 89 4.327 4.605 -0.278 1
1 1085 . 10 1 1 A 89 89 PRO C C 89 176.044 176.050 -0.006 1
1 1086 . 10 1 1 A 89 89 PRO CA C 89 63.489 62.612 0.877 1
1 1087 . 10 1 1 A 89 89 PRO CB C 89 31.921 32.637 -0.716 1
1 1 . 11 1 1 A 4 4 GLY C C 4 174.318 171.817 2.501 1
1 2 . 11 1 1 A 4 4 GLY CA C 4 45.318 45.654 -0.336 1
1 3 . 11 1 1 A 5 5 SER H H 5 8.211 8.502 -0.291 1
1 4 . 11 1 1 A 5 5 SER HA H 5 4.460 4.621 -0.161 1
1 7 . 11 1 1 A 5 5 SER C C 5 174.891 174.070 0.821 1
1 8 . 11 1 1 A 5 5 SER CA C 5 58.299 58.427 -0.128 1
1 9 . 11 1 1 A 5 5 SER CB C 5 64.052 64.180 -0.128 1
1 10 . 11 1 1 A 5 5 SER N N 5 115.510 117.404 -1.894 1
1 11 . 11 1 1 A 6 6 SER H H 6 8.444 9.028 -0.584 1
1 12 . 11 1 1 A 6 6 SER HA H 6 4.428 4.583 -0.155 1
1 15 . 11 1 1 A 6 6 SER C C 6 175.096 174.111 0.985 1
1 16 . 11 1 1 A 6 6 SER CA C 6 58.706 59.554 -0.848 1
1 17 . 11 1 1 A 6 6 SER CB C 6 63.920 64.930 -1.010 1
1 18 . 11 1 1 A 6 6 SER N N 6 117.613 119.194 -1.581 1
1 19 . 11 1 1 A 7 7 GLY H H 7 8.359 7.457 0.902 1
1 20 . 11 1 1 A 7 7 GLY HA2 H 7 3.916 4.169 -0.253 1
1 21 . 11 1 1 A 7 7 GLY HA3 H 7 3.916 4.169 -0.253 1
1 22 . 11 1 1 A 7 7 GLY C C 7 174.309 173.207 1.102 1
1 23 . 11 1 1 A 7 7 GLY CA C 7 45.399 44.906 0.493 1
1 24 . 11 1 1 A 7 7 GLY N N 7 110.468 106.788 3.680 1
1 25 . 11 1 1 A 8 8 GLU H H 8 8.235 8.401 -0.166 1
1 26 . 11 1 1 A 8 8 GLU HA H 8 4.248 4.374 -0.126 1
1 31 . 11 1 1 A 8 8 GLU C C 8 176.732 176.004 0.728 1
1 32 . 11 1 1 A 8 8 GLU CA C 8 56.630 55.739 0.891 1
1 33 . 11 1 1 A 8 8 GLU CB C 8 30.243 30.404 -0.161 1
1 35 . 11 1 1 A 8 8 GLU N N 8 120.254 121.289 -1.035 1
1 36 . 11 1 1 A 9 9 SER H H 9 8.327 8.824 -0.497 1
1 37 . 11 1 1 A 9 9 SER HA H 9 4.385 4.818 -0.433 1
1 40 . 11 1 1 A 9 9 SER C C 9 174.682 174.314 0.368 1
1 41 . 11 1 1 A 9 9 SER CA C 9 58.470 56.805 1.665 1
1 42 . 11 1 1 A 9 9 SER CB C 9 63.742 65.510 -1.768 1
1 43 . 11 1 1 A 9 9 SER N N 9 116.213 112.869 3.344 1
1 44 . 11 1 1 A 10 10 GLU H H 10 8.428 9.135 -0.707 1
1 45 . 11 1 1 A 10 10 GLU HA H 10 4.232 3.999 0.233 1
1 50 . 11 1 1 A 10 10 GLU C C 10 176.769 178.854 -2.085 1
1 51 . 11 1 1 A 10 10 GLU CA C 10 56.887 59.827 -2.940 1
1 52 . 11 1 1 A 10 10 GLU CB C 10 30.267 29.383 0.884 1
1 54 . 11 1 1 A 10 10 GLU N N 10 122.618 121.757 0.861 1
1 55 . 11 1 1 A 11 11 GLU H H 11 8.315 8.163 0.152 1
1 56 . 11 1 1 A 11 11 GLU HA H 11 4.179 4.064 0.115 1
1 61 . 11 1 1 A 11 11 GLU C C 11 177.182 178.589 -1.407 1
1 62 . 11 1 1 A 11 11 GLU CA C 11 56.896 59.357 -2.461 1
1 63 . 11 1 1 A 11 11 GLU CB C 11 30.317 29.526 0.791 1
1 65 . 11 1 1 A 11 11 GLU N N 11 120.909 119.669 1.240 1
1 66 . 11 1 1 A 12 12 GLU H H 12 8.333 7.755 0.578 1
1 67 . 11 1 1 A 12 12 GLU HA H 12 4.100 4.245 -0.145 1
1 72 . 11 1 1 A 12 12 GLU C C 12 176.860 178.346 -1.486 1
1 73 . 11 1 1 A 12 12 GLU CA C 12 57.495 58.433 -0.938 1
1 74 . 11 1 1 A 12 12 GLU CB C 12 30.221 30.390 -0.169 1
1 76 . 11 1 1 A 12 12 GLU N N 12 121.578 119.536 2.042 1
1 77 . 11 1 1 A 13 13 ASP H H 13 8.332 8.577 -0.245 1
1 78 . 11 1 1 A 13 13 ASP HA H 13 4.468 4.504 -0.036 1
1 81 . 11 1 1 A 13 13 ASP C C 13 176.833 177.566 -0.733 1
1 82 . 11 1 1 A 13 13 ASP CA C 13 54.921 55.125 -0.204 1
1 83 . 11 1 1 A 13 13 ASP CB C 13 40.912 40.231 0.681 1
1 84 . 11 1 1 A 13 13 ASP N N 13 120.147 120.415 -0.268 1
1 85 . 11 1 1 A 14 14 LYS H H 14 8.014 7.721 0.293 1
1 86 . 11 1 1 A 14 14 LYS HA H 14 4.204 4.062 0.142 1
1 95 . 11 1 1 A 14 14 LYS C C 14 176.568 176.657 -0.089 1
1 96 . 11 1 1 A 14 14 LYS CA C 14 56.558 59.565 -3.007 1
1 97 . 11 1 1 A 14 14 LYS CB C 14 32.598 32.227 0.371 1
1 101 . 11 1 1 A 14 14 LYS N N 14 120.485 119.425 1.060 1
1 102 . 11 1 1 A 15 15 CYS H H 15 8.013 7.668 0.345 1
1 103 . 11 1 1 A 15 15 CYS HA H 15 4.304 4.868 -0.564 1
1 106 . 11 1 1 A 15 15 CYS C C 15 173.801 172.467 1.334 1
1 107 . 11 1 1 A 15 15 CYS CA C 15 58.337 56.687 1.650 1
1 108 . 11 1 1 A 15 15 CYS CB C 15 28.061 30.893 -2.832 1
1 109 . 11 1 1 A 15 15 CYS N N 15 118.099 113.810 4.289 1
1 110 . 11 1 1 A 16 16 LYS H H 16 8.287 8.677 -0.390 1
1 111 . 11 1 1 A 16 16 LYS HA H 16 4.491 4.789 -0.298 1
1 120 . 11 1 1 A 16 16 LYS C C 16 175.117 173.752 1.365 1
1 121 . 11 1 1 A 16 16 LYS CA C 16 54.512 53.190 1.322 1
1 122 . 11 1 1 A 16 16 LYS CB C 16 32.697 33.844 -1.147 1
1 124 . 11 1 1 A 16 16 LYS N N 16 125.369 120.973 4.396 1
1 125 . 11 1 1 A 17 17 PRO HA H 17 4.247 4.545 -0.298 1
1 132 . 11 1 1 A 17 17 PRO C C 17 176.956 175.331 1.625 1
1 133 . 11 1 1 A 17 17 PRO CA C 17 63.088 62.647 0.441 1
1 134 . 11 1 1 A 17 17 PRO CB C 17 32.244 32.486 -0.242 1
1 137 . 11 1 1 A 18 18 MET H H 18 8.516 8.434 0.082 1
1 138 . 11 1 1 A 18 18 MET HA H 18 4.488 5.020 -0.532 1
1 146 . 11 1 1 A 18 18 MET C C 18 176.759 175.772 0.987 1
1 147 . 11 1 1 A 18 18 MET CA C 18 56.169 54.541 1.628 1
1 148 . 11 1 1 A 18 18 MET CB C 18 35.531 34.726 0.805 1
1 151 . 11 1 1 A 18 18 MET N N 18 121.801 120.262 1.539 1
1 152 . 11 1 1 A 19 19 SER H H 19 9.100 8.837 0.263 1
1 153 . 11 1 1 A 19 19 SER HA H 19 4.459 4.601 -0.142 1
1 156 . 11 1 1 A 19 19 SER C C 19 175.018 175.350 -0.332 1
1 157 . 11 1 1 A 19 19 SER CA C 19 56.894 58.554 -1.660 1
1 158 . 11 1 1 A 19 19 SER CB C 19 65.854 64.311 1.543 1
1 159 . 11 1 1 A 19 19 SER N N 19 119.212 120.061 -0.849 1
1 160 . 11 1 1 A 20 20 TYR H H 20 8.959 9.331 -0.372 1
1 161 . 11 1 1 A 20 20 TYR HA H 20 4.029 4.100 -0.071 1
1 168 . 11 1 1 A 20 20 TYR C C 20 177.960 177.187 0.773 1
1 169 . 11 1 1 A 20 20 TYR CA C 20 62.463 62.566 -0.103 1
1 170 . 11 1 1 A 20 20 TYR CB C 20 38.009 39.037 -1.028 1
1 175 . 11 1 1 A 20 20 TYR N N 20 121.218 124.477 -3.259 1
1 176 . 11 1 1 A 21 21 GLU H H 21 8.825 8.141 0.684 1
1 177 . 11 1 1 A 21 21 GLU HA H 21 3.811 3.676 0.135 1
1 182 . 11 1 1 A 21 21 GLU C C 21 179.481 178.767 0.714 1
1 183 . 11 1 1 A 21 21 GLU CA C 21 59.951 59.709 0.242 1
1 184 . 11 1 1 A 21 21 GLU CB C 21 28.823 29.201 -0.378 1
1 186 . 11 1 1 A 21 21 GLU N N 21 118.696 117.611 1.085 1
1 187 . 11 1 1 A 22 22 GLU H H 22 7.771 8.060 -0.289 1
1 188 . 11 1 1 A 22 22 GLU HA H 22 3.899 4.020 -0.121 1
1 193 . 11 1 1 A 22 22 GLU C C 22 179.680 179.230 0.450 1
1 194 . 11 1 1 A 22 22 GLU CA C 22 59.498 59.131 0.367 1
1 195 . 11 1 1 A 22 22 GLU CB C 22 30.385 29.295 1.090 1
1 197 . 11 1 1 A 22 22 GLU N N 22 120.141 120.003 0.138 1
1 198 . 11 1 1 A 23 23 LYS H H 23 8.101 7.882 0.219 1
1 199 . 11 1 1 A 23 23 LYS HA H 23 3.662 3.486 0.176 1
1 208 . 11 1 1 A 23 23 LYS C C 23 178.250 178.729 -0.479 1
1 209 . 11 1 1 A 23 23 LYS CA C 23 60.345 59.641 0.704 1
1 210 . 11 1 1 A 23 23 LYS CB C 23 32.611 31.928 0.683 1
1 214 . 11 1 1 A 23 23 LYS N N 23 120.594 119.255 1.339 1
1 215 . 11 1 1 A 24 24 ARG H H 24 8.030 7.756 0.274 1
1 216 . 11 1 1 A 24 24 ARG HA H 24 3.721 3.853 -0.132 1
1 223 . 11 1 1 A 24 24 ARG C C 24 178.992 178.793 0.199 1
1 224 . 11 1 1 A 24 24 ARG CA C 24 59.055 59.119 -0.064 1
1 225 . 11 1 1 A 24 24 ARG CB C 24 29.623 29.856 -0.233 1
1 228 . 11 1 1 A 24 24 ARG N N 24 120.100 118.331 1.769 1
1 229 . 11 1 1 A 25 25 GLN H H 25 7.940 7.760 0.180 1
1 230 . 11 1 1 A 25 25 GLN HA H 25 3.706 3.969 -0.263 1
1 237 . 11 1 1 A 25 25 GLN C C 25 177.078 177.873 -0.795 1
1 238 . 11 1 1 A 25 25 GLN CA C 25 58.104 58.647 -0.543 1
1 239 . 11 1 1 A 25 25 GLN CB C 25 28.294 28.068 0.226 1
1 241 . 11 1 1 A 25 25 GLN N N 25 118.586 119.638 -1.052 1
1 243 . 11 1 1 A 26 26 LEU H H 26 7.843 7.961 -0.118 1
1 244 . 11 1 1 A 26 26 LEU HA H 26 4.182 4.036 0.146 1
1 254 . 11 1 1 A 26 26 LEU C C 26 178.116 178.518 -0.402 1
1 255 . 11 1 1 A 26 26 LEU CA C 26 57.867 57.904 -0.037 1
1 256 . 11 1 1 A 26 26 LEU CB C 26 41.167 41.320 -0.153 1
1 259 . 11 1 1 A 26 26 LEU N N 26 119.570 121.621 -2.051 1
1 260 . 11 1 1 A 27 27 SER H H 27 7.710 7.600 0.110 1
1 261 . 11 1 1 A 27 27 SER HA H 27 3.869 4.359 -0.490 1
1 264 . 11 1 1 A 27 27 SER C C 27 176.845 177.559 -0.714 1
1 265 . 11 1 1 A 27 27 SER CA C 27 61.478 61.675 -0.197 1
1 266 . 11 1 1 A 27 27 SER CB C 27 62.828 63.127 -0.299 1
1 267 . 11 1 1 A 27 27 SER N N 27 112.126 114.924 -2.798 1
1 268 . 11 1 1 A 28 28 LEU H H 28 7.613 8.234 -0.621 1
1 269 . 11 1 1 A 28 28 LEU HA H 28 3.954 3.907 0.047 1
1 279 . 11 1 1 A 28 28 LEU C C 28 180.044 178.825 1.219 1
1 280 . 11 1 1 A 28 28 LEU CA C 28 57.862 58.065 -0.203 1
1 281 . 11 1 1 A 28 28 LEU CB C 28 41.703 41.851 -0.148 1
1 285 . 11 1 1 A 28 28 LEU N N 28 120.774 121.945 -1.171 1
1 286 . 11 1 1 A 29 29 ASP H H 29 8.476 7.995 0.481 1
1 287 . 11 1 1 A 29 29 ASP HA H 29 4.236 4.473 -0.237 1
1 290 . 11 1 1 A 29 29 ASP C C 29 179.532 178.607 0.925 1
1 291 . 11 1 1 A 29 29 ASP CA C 29 57.618 57.152 0.466 1
1 292 . 11 1 1 A 29 29 ASP CB C 29 40.447 40.717 -0.270 1
1 293 . 11 1 1 A 29 29 ASP N N 29 120.971 118.437 2.534 1
1 294 . 11 1 1 A 30 30 ILE H H 30 8.558 8.415 0.143 1
1 295 . 11 1 1 A 30 30 ILE HA H 30 3.564 3.655 -0.091 1
1 305 . 11 1 1 A 30 30 ILE C C 30 178.098 178.037 0.061 1
1 306 . 11 1 1 A 30 30 ILE CA C 30 65.616 65.608 0.008 1
1 307 . 11 1 1 A 30 30 ILE CB C 30 37.697 37.759 -0.062 1
1 311 . 11 1 1 A 30 30 ILE N N 30 120.240 121.253 -1.013 1
1 312 . 11 1 1 A 31 31 ASN H H 31 7.350 8.527 -1.177 1
1 313 . 11 1 1 A 31 31 ASN HA H 31 4.560 4.444 0.116 1
1 318 . 11 1 1 A 31 31 ASN C C 31 175.952 177.984 -2.032 1
1 319 . 11 1 1 A 31 31 ASN CA C 31 54.997 56.700 -1.703 1
1 320 . 11 1 1 A 31 31 ASN CB C 31 38.769 38.128 0.641 1
1 321 . 11 1 1 A 31 31 ASN N N 31 115.285 117.206 -1.921 1
1 323 . 11 1 1 A 32 32 LYS H H 32 7.509 7.654 -0.145 1
1 324 . 11 1 1 A 32 32 LYS HA H 32 4.286 4.375 -0.089 1
1 333 . 11 1 1 A 32 32 LYS C C 32 177.232 177.491 -0.259 1
1 334 . 11 1 1 A 32 32 LYS CA C 32 56.330 57.589 -1.259 1
1 335 . 11 1 1 A 32 32 LYS CB C 32 33.570 33.151 0.419 1
1 339 . 11 1 1 A 32 32 LYS N N 32 117.496 117.139 0.357 1
1 340 . 11 1 1 A 33 33 LEU H H 33 7.455 7.333 0.122 1
1 341 . 11 1 1 A 33 33 LEU HA H 33 4.265 4.405 -0.140 1
1 351 . 11 1 1 A 33 33 LEU CA C 33 53.436 53.661 -0.225 1
1 352 . 11 1 1 A 33 33 LEU CB C 33 41.464 41.290 0.174 1
1 356 . 11 1 1 A 33 33 LEU N N 33 120.501 121.095 -0.594 1
1 357 . 11 1 1 A 34 34 PRO HA H 34 4.561 4.645 -0.084 1
1 364 . 11 1 1 A 34 34 PRO C C 34 178.359 177.826 0.533 1
1 365 . 11 1 1 A 34 34 PRO CA C 34 62.251 62.318 -0.067 1
1 366 . 11 1 1 A 34 34 PRO CB C 34 32.489 32.705 -0.216 1
1 369 . 11 1 1 A 35 35 GLY H H 35 8.865 8.749 0.116 1
1 370 . 11 1 1 A 35 35 GLY HA2 H 35 3.709 3.802 -0.093 1
1 371 . 11 1 1 A 35 35 GLY HA3 H 35 4.005 3.803 0.202 1
1 372 . 11 1 1 A 35 35 GLY C C 35 176.845 176.062 0.783 1
1 373 . 11 1 1 A 35 35 GLY CA C 35 48.165 47.315 0.850 1
1 374 . 11 1 1 A 35 35 GLY N N 35 109.986 109.173 0.813 1
1 375 . 11 1 1 A 36 36 GLU H H 36 9.360 8.529 0.831 1
1 376 . 11 1 1 A 36 36 GLU HA H 36 4.233 4.059 0.174 1
1 381 . 11 1 1 A 36 36 GLU C C 36 178.326 178.408 -0.082 1
1 382 . 11 1 1 A 36 36 GLU CA C 36 58.964 59.136 -0.172 1
1 383 . 11 1 1 A 36 36 GLU CB C 36 28.689 29.244 -0.555 1
1 385 . 11 1 1 A 36 36 GLU N N 36 119.485 121.741 -2.256 1
1 386 . 11 1 1 A 37 37 LYS H H 37 7.734 7.694 0.040 1
1 387 . 11 1 1 A 37 37 LYS HA H 37 4.516 4.209 0.307 1
1 396 . 11 1 1 A 37 37 LYS C C 37 178.698 179.332 -0.634 1
1 397 . 11 1 1 A 37 37 LYS CA C 37 55.977 59.063 -3.086 1
1 398 . 11 1 1 A 37 37 LYS CB C 37 32.981 32.454 0.527 1
1 402 . 11 1 1 A 37 37 LYS N N 37 116.668 119.468 -2.800 1
1 403 . 11 1 1 A 38 38 LEU H H 38 7.882 8.522 -0.640 1
1 404 . 11 1 1 A 38 38 LEU HA H 38 4.103 3.971 0.132 1
1 414 . 11 1 1 A 38 38 LEU C C 38 179.042 178.703 0.339 1
1 415 . 11 1 1 A 38 38 LEU CA C 38 57.832 57.868 -0.036 1
1 416 . 11 1 1 A 38 38 LEU CB C 38 41.753 41.858 -0.105 1
1 420 . 11 1 1 A 38 38 LEU N N 38 121.898 121.062 0.836 1
1 421 . 11 1 1 A 39 39 GLY H H 39 8.212 8.121 0.091 1
1 422 . 11 1 1 A 39 39 GLY HA2 H 39 3.720 3.836 -0.116 1
1 423 . 11 1 1 A 39 39 GLY HA3 H 39 3.853 3.855 -0.002 1
1 424 . 11 1 1 A 39 39 GLY C C 39 176.507 174.817 1.690 1
1 425 . 11 1 1 A 39 39 GLY CA C 39 47.218 46.318 0.900 1
1 426 . 11 1 1 A 39 39 GLY N N 39 106.042 106.118 -0.076 1
1 427 . 11 1 1 A 40 40 ARG H H 40 7.416 7.578 -0.162 1
1 428 . 11 1 1 A 40 40 ARG HA H 40 4.031 3.971 0.060 1
1 435 . 11 1 1 A 40 40 ARG C C 40 177.974 178.542 -0.568 1
1 436 . 11 1 1 A 40 40 ARG CA C 40 57.460 57.928 -0.468 1
1 437 . 11 1 1 A 40 40 ARG CB C 40 29.051 30.165 -1.114 1
1 440 . 11 1 1 A 40 40 ARG N N 40 120.046 120.691 -0.645 1
1 441 . 11 1 1 A 41 41 VAL H H 41 7.417 7.672 -0.255 1
1 442 . 11 1 1 A 41 41 VAL HA H 41 3.285 3.401 -0.116 1
1 450 . 11 1 1 A 41 41 VAL C C 41 177.090 177.704 -0.614 1
1 451 . 11 1 1 A 41 41 VAL CA C 41 66.979 66.367 0.612 1
1 452 . 11 1 1 A 41 41 VAL CB C 41 31.059 31.500 -0.441 1
1 455 . 11 1 1 A 41 41 VAL N N 41 119.285 119.647 -0.362 1
1 456 . 11 1 1 A 42 42 VAL H H 42 7.493 7.688 -0.195 1
1 457 . 11 1 1 A 42 42 VAL HA H 42 3.395 3.591 -0.196 1
1 465 . 11 1 1 A 42 42 VAL C C 42 177.200 177.772 -0.572 1
1 466 . 11 1 1 A 42 42 VAL CA C 42 66.764 65.351 1.413 1
1 467 . 11 1 1 A 42 42 VAL CB C 42 31.296 31.008 0.288 1
1 470 . 11 1 1 A 42 42 VAL N N 42 116.606 119.576 -2.970 1
1 471 . 11 1 1 A 43 43 HIS H H 43 7.602 7.733 -0.131 1
1 472 . 11 1 1 A 43 43 HIS HA H 43 4.264 4.234 0.030 1
1 477 . 11 1 1 A 43 43 HIS C C 43 178.854 177.909 0.945 1
1 478 . 11 1 1 A 43 43 HIS CA C 43 59.824 59.761 0.063 1
1 479 . 11 1 1 A 43 43 HIS CB C 43 30.605 29.785 0.820 1
1 482 . 11 1 1 A 43 43 HIS N N 43 118.867 119.639 -0.772 1
1 483 . 11 1 1 A 44 44 ILE H H 44 8.344 7.962 0.382 1
1 484 . 11 1 1 A 44 44 ILE HA H 44 3.375 3.625 -0.250 1
1 494 . 11 1 1 A 44 44 ILE C C 44 178.054 178.138 -0.084 1
1 495 . 11 1 1 A 44 44 ILE CA C 44 65.922 64.345 1.577 1
1 496 . 11 1 1 A 44 44 ILE CB C 44 37.950 37.459 0.491 1
1 500 . 11 1 1 A 44 44 ILE N N 44 121.530 120.037 1.493 1
1 501 . 11 1 1 A 45 45 ILE H H 45 7.604 7.730 -0.126 1
1 502 . 11 1 1 A 45 45 ILE HA H 45 3.311 3.558 -0.247 1
1 512 . 11 1 1 A 45 45 ILE C C 45 177.378 177.767 -0.389 1
1 513 . 11 1 1 A 45 45 ILE CA C 45 66.577 65.205 1.372 1
1 514 . 11 1 1 A 45 45 ILE CB C 45 38.168 37.447 0.721 1
1 518 . 11 1 1 A 45 45 ILE N N 45 117.572 121.041 -3.469 1
1 519 . 11 1 1 A 46 46 GLN H H 46 8.626 8.006 0.620 1
1 520 . 11 1 1 A 46 46 GLN HA H 46 3.719 4.057 -0.338 1
1 527 . 11 1 1 A 46 46 GLN C C 46 177.483 177.841 -0.358 1
1 528 . 11 1 1 A 46 46 GLN CA C 46 59.443 58.898 0.545 1
1 529 . 11 1 1 A 46 46 GLN CB C 46 28.832 28.366 0.466 1
1 531 . 11 1 1 A 46 46 GLN N N 46 115.916 119.176 -3.260 1
1 533 . 11 1 1 A 47 47 SER H H 47 7.862 7.793 0.069 1
1 534 . 11 1 1 A 47 47 SER HA H 47 4.064 4.234 -0.170 1
1 537 . 11 1 1 A 47 47 SER C C 47 175.615 175.185 0.430 1
1 538 . 11 1 1 A 47 47 SER CA C 47 60.602 60.647 -0.045 1
1 539 . 11 1 1 A 47 47 SER CB C 47 63.313 62.758 0.555 1
1 540 . 11 1 1 A 47 47 SER N N 47 110.902 115.033 -4.131 1
1 541 . 11 1 1 A 48 48 ARG H H 48 7.362 8.127 -0.765 1
1 542 . 11 1 1 A 48 48 ARG HA H 48 4.306 4.422 -0.116 1
1 549 . 11 1 1 A 48 48 ARG C C 48 176.365 176.261 0.104 1
1 550 . 11 1 1 A 48 48 ARG CA C 48 55.992 56.529 -0.537 1
1 551 . 11 1 1 A 48 48 ARG CB C 48 33.000 31.707 1.293 1
1 554 . 11 1 1 A 48 48 ARG N N 48 118.403 118.158 0.245 1
1 555 . 11 1 1 A 49 49 GLU H H 49 7.714 7.765 -0.051 1
1 556 . 11 1 1 A 49 49 GLU HA H 49 4.806 4.781 0.025 1
1 561 . 11 1 1 A 49 49 GLU C C 49 174.213 174.706 -0.493 1
1 562 . 11 1 1 A 49 49 GLU CA C 49 52.903 53.921 -1.018 1
1 563 . 11 1 1 A 49 49 GLU CB C 49 28.835 29.894 -1.059 1
1 565 . 11 1 1 A 49 49 GLU N N 49 118.387 119.533 -1.146 1
1 566 . 11 1 1 A 50 50 PRO HA H 50 4.273 4.304 -0.031 1
1 573 . 11 1 1 A 50 50 PRO C C 50 178.412 178.136 0.276 1
1 574 . 11 1 1 A 50 50 PRO CA C 50 64.641 64.866 -0.225 1
1 575 . 11 1 1 A 50 50 PRO CB C 50 32.045 32.098 -0.053 1
1 578 . 11 1 1 A 51 51 SER H H 51 8.290 8.160 0.130 1
1 579 . 11 1 1 A 51 51 SER HA H 51 4.271 4.310 -0.039 1
1 582 . 11 1 1 A 51 51 SER C C 51 175.130 175.299 -0.169 1
1 583 . 11 1 1 A 51 51 SER CA C 51 59.824 60.739 -0.915 1
1 584 . 11 1 1 A 51 51 SER CB C 51 63.071 62.765 0.306 1
1 585 . 11 1 1 A 51 51 SER N N 51 112.214 112.255 -0.041 1
1 586 . 11 1 1 A 52 52 LEU H H 52 7.882 7.752 0.130 1
1 587 . 11 1 1 A 52 52 LEU HA H 52 4.479 4.388 0.091 1
1 597 . 11 1 1 A 52 52 LEU C C 52 177.843 177.870 -0.027 1
1 598 . 11 1 1 A 52 52 LEU CA C 52 54.734 54.755 -0.021 1
1 599 . 11 1 1 A 52 52 LEU CB C 52 42.500 42.675 -0.175 1
1 603 . 11 1 1 A 52 52 LEU N N 52 121.800 119.375 2.425 1
1 604 . 11 1 1 A 53 53 LYS H H 53 7.638 7.620 0.018 1
1 605 . 11 1 1 A 53 53 LYS HA H 53 4.022 3.795 0.227 1
1 614 . 11 1 1 A 53 53 LYS C C 53 176.270 178.941 -2.671 1
1 615 . 11 1 1 A 53 53 LYS CA C 53 58.288 59.891 -1.603 1
1 616 . 11 1 1 A 53 53 LYS CB C 53 32.924 32.035 0.889 1
1 620 . 11 1 1 A 53 53 LYS N N 53 121.559 121.370 0.189 1
1 621 . 11 1 1 A 54 54 ASN H H 54 8.266 7.944 0.322 1
1 622 . 11 1 1 A 54 54 ASN HA H 54 4.732 4.615 0.117 1
1 627 . 11 1 1 A 54 54 ASN C C 54 175.097 176.045 -0.948 1
1 628 . 11 1 1 A 54 54 ASN CA C 54 53.020 54.902 -1.882 1
1 629 . 11 1 1 A 54 54 ASN CB C 54 38.863 38.663 0.200 1
1 630 . 11 1 1 A 54 54 ASN N N 54 116.053 116.961 -0.908 1
1 632 . 11 1 1 A 55 55 SER H H 55 7.692 7.888 -0.196 1
1 633 . 11 1 1 A 55 55 SER HA H 55 4.288 4.534 -0.246 1
1 636 . 11 1 1 A 55 55 SER C C 55 173.418 174.211 -0.793 1
1 637 . 11 1 1 A 55 55 SER CA C 55 58.900 58.496 0.404 1
1 638 . 11 1 1 A 55 55 SER CB C 55 63.914 64.400 -0.486 1
1 639 . 11 1 1 A 55 55 SER N N 55 115.901 115.775 0.126 1
1 640 . 11 1 1 A 56 56 ASN H H 56 8.574 8.686 -0.112 1
1 641 . 11 1 1 A 56 56 ASN HA H 56 4.857 4.887 -0.030 1
1 646 . 11 1 1 A 56 56 ASN C C 56 174.843 175.449 -0.606 1
1 647 . 11 1 1 A 56 56 ASN CA C 56 50.974 51.783 -0.809 1
1 648 . 11 1 1 A 56 56 ASN CB C 56 38.744 38.382 0.362 1
1 649 . 11 1 1 A 56 56 ASN N N 56 122.245 121.563 0.682 1
1 651 . 11 1 1 A 57 57 PRO HA H 57 4.079 4.280 -0.201 1
1 658 . 11 1 1 A 57 57 PRO C C 57 176.856 178.367 -1.511 1
1 659 . 11 1 1 A 57 57 PRO CA C 57 64.733 65.278 -0.545 1
1 660 . 11 1 1 A 57 57 PRO CB C 57 31.968 31.762 0.206 1
1 663 . 11 1 1 A 58 58 ASP H H 58 8.024 8.506 -0.482 1
1 664 . 11 1 1 A 58 58 ASP HA H 58 4.445 4.390 0.055 1
1 667 . 11 1 1 A 58 58 ASP C C 58 176.369 177.886 -1.517 1
1 668 . 11 1 1 A 58 58 ASP CA C 58 55.247 56.271 -1.024 1
1 669 . 11 1 1 A 58 58 ASP CB C 58 40.828 40.123 0.705 1
1 670 . 11 1 1 A 58 58 ASP N N 58 114.883 116.967 -2.084 1
1 671 . 11 1 1 A 59 59 GLU H H 59 7.663 7.647 0.016 1
1 672 . 11 1 1 A 59 59 GLU HA H 59 4.341 4.413 -0.072 1
1 677 . 11 1 1 A 59 59 GLU C C 59 175.690 176.416 -0.726 1
1 678 . 11 1 1 A 59 59 GLU CA C 59 55.425 56.412 -0.987 1
1 679 . 11 1 1 A 59 59 GLU CB C 59 31.140 30.133 1.007 1
1 681 . 11 1 1 A 59 59 GLU N N 59 117.763 116.836 0.927 1
1 682 . 11 1 1 A 60 60 ILE H H 60 7.457 7.406 0.051 1
1 683 . 11 1 1 A 60 60 ILE HA H 60 3.962 4.274 -0.312 1
1 693 . 11 1 1 A 60 60 ILE C C 60 174.951 174.933 0.018 1
1 694 . 11 1 1 A 60 60 ILE CA C 60 61.416 60.105 1.311 1
1 695 . 11 1 1 A 60 60 ILE CB C 60 38.693 40.456 -1.763 1
1 699 . 11 1 1 A 60 60 ILE N N 60 120.600 121.178 -0.578 1
1 700 . 11 1 1 A 61 61 GLU H H 61 8.267 8.919 -0.652 1
1 701 . 11 1 1 A 61 61 GLU HA H 61 4.333 5.037 -0.704 1
1 706 . 11 1 1 A 61 61 GLU C C 61 175.576 175.176 0.400 1
1 707 . 11 1 1 A 61 61 GLU CA C 61 55.085 54.377 0.708 1
1 708 . 11 1 1 A 61 61 GLU CB C 61 30.717 33.366 -2.649 1
1 710 . 11 1 1 A 61 61 GLU N N 61 126.935 123.642 3.293 1
1 711 . 11 1 1 A 62 62 ILE H H 62 8.425 8.494 -0.069 1
1 712 . 11 1 1 A 62 62 ILE HA H 62 3.570 4.604 -1.034 1
1 722 . 11 1 1 A 62 62 ILE C C 62 174.594 174.305 0.289 1
1 723 . 11 1 1 A 62 62 ILE CA C 62 61.570 59.777 1.793 1
1 724 . 11 1 1 A 62 62 ILE CB C 62 38.187 38.501 -0.314 1
1 728 . 11 1 1 A 62 62 ILE N N 62 124.857 122.454 2.403 1
1 729 . 11 1 1 A 63 63 ASP H H 63 8.459 8.456 0.003 1
1 730 . 11 1 1 A 63 63 ASP HA H 63 4.691 4.845 -0.154 1
1 733 . 11 1 1 A 63 63 ASP C C 63 177.284 175.401 1.883 1
1 734 . 11 1 1 A 63 63 ASP CA C 63 52.272 52.781 -0.509 1
1 735 . 11 1 1 A 63 63 ASP CB C 63 41.160 43.614 -2.454 1
1 736 . 11 1 1 A 63 63 ASP N N 63 126.597 127.265 -0.668 1
1 737 . 11 1 1 A 64 64 PHE H H 64 8.609 8.824 -0.215 1
1 738 . 11 1 1 A 64 64 PHE HA H 64 4.016 4.487 -0.471 1
1 746 . 11 1 1 A 64 64 PHE C C 64 177.010 176.780 0.230 1
1 747 . 11 1 1 A 64 64 PHE CA C 64 59.795 59.230 0.565 1
1 748 . 11 1 1 A 64 64 PHE CB C 64 38.084 39.206 -1.122 1
1 754 . 11 1 1 A 64 64 PHE N N 64 123.270 124.917 -1.647 1
1 755 . 11 1 1 A 65 65 GLU H H 65 8.317 7.829 0.488 1
1 756 . 11 1 1 A 65 65 GLU HA H 65 4.171 4.307 -0.136 1
1 761 . 11 1 1 A 65 65 GLU C C 65 177.913 178.304 -0.391 1
1 762 . 11 1 1 A 65 65 GLU CA C 65 57.524 58.916 -1.392 1
1 763 . 11 1 1 A 65 65 GLU CB C 65 29.440 30.272 -0.832 1
1 765 . 11 1 1 A 65 65 GLU N N 65 114.355 120.289 -5.934 1
1 766 . 11 1 1 A 66 66 THR H H 66 7.388 7.272 0.116 1
1 767 . 11 1 1 A 66 66 THR HA H 66 4.396 4.358 0.038 1
1 772 . 11 1 1 A 66 66 THR C C 66 174.662 174.800 -0.138 1
1 773 . 11 1 1 A 66 66 THR CA C 66 61.316 62.471 -1.155 1
1 774 . 11 1 1 A 66 66 THR CB C 66 69.711 69.734 -0.023 1
1 776 . 11 1 1 A 66 66 THR N N 66 106.424 108.596 -2.172 1
1 777 . 11 1 1 A 67 67 LEU H H 67 6.677 7.413 -0.736 1
1 778 . 11 1 1 A 67 67 LEU HA H 67 4.350 4.324 0.026 1
1 788 . 11 1 1 A 67 67 LEU C C 67 176.647 177.335 -0.688 1
1 789 . 11 1 1 A 67 67 LEU CA C 67 54.104 54.300 -0.196 1
1 790 . 11 1 1 A 67 67 LEU CB C 67 43.365 42.993 0.372 1
1 794 . 11 1 1 A 67 67 LEU N N 67 120.589 123.951 -3.362 1
1 795 . 11 1 1 A 68 68 LYS H H 68 9.947 8.834 1.113 1
1 796 . 11 1 1 A 68 68 LYS HA H 68 4.387 4.425 -0.038 1
1 805 . 11 1 1 A 68 68 LYS C C 68 176.786 176.840 -0.054 1
1 806 . 11 1 1 A 68 68 LYS CA C 68 55.574 54.561 1.013 1
1 807 . 11 1 1 A 68 68 LYS CB C 68 31.897 31.811 0.086 1
1 811 . 11 1 1 A 68 68 LYS N N 68 123.363 122.156 1.207 1
1 812 . 11 1 1 A 69 69 PRO HA H 69 4.091 4.354 -0.263 1
1 819 . 11 1 1 A 69 69 PRO C C 69 178.646 177.774 0.872 1
1 820 . 11 1 1 A 69 69 PRO CA C 69 66.153 65.019 1.134 1
1 821 . 11 1 1 A 69 69 PRO CB C 69 31.985 32.171 -0.186 1
1 824 . 11 1 1 A 70 70 SER H H 70 8.490 8.053 0.437 1
1 825 . 11 1 1 A 70 70 SER HA H 70 4.231 4.253 -0.022 1
1 828 . 11 1 1 A 70 70 SER C C 70 177.784 177.295 0.489 1
1 829 . 11 1 1 A 70 70 SER CA C 70 60.787 60.708 0.079 1
1 830 . 11 1 1 A 70 70 SER CB C 70 61.797 63.254 -1.457 1
1 831 . 11 1 1 A 70 70 SER N N 70 109.802 112.585 -2.783 1
1 832 . 11 1 1 A 71 71 THR H H 71 7.340 7.847 -0.507 1
1 833 . 11 1 1 A 71 71 THR HA H 71 3.735 3.980 -0.245 1
1 838 . 11 1 1 A 71 71 THR C C 71 176.072 176.460 -0.388 1
1 839 . 11 1 1 A 71 71 THR CA C 71 65.913 66.944 -1.031 1
1 840 . 11 1 1 A 71 71 THR CB C 71 67.239 68.639 -1.400 1
1 842 . 11 1 1 A 71 71 THR N N 71 122.295 118.232 4.063 1
1 843 . 11 1 1 A 72 72 LEU H H 72 7.839 8.187 -0.348 1
1 844 . 11 1 1 A 72 72 LEU HA H 72 3.713 3.986 -0.273 1
1 854 . 11 1 1 A 72 72 LEU C C 72 178.998 179.423 -0.425 1
1 855 . 11 1 1 A 72 72 LEU CA C 72 58.622 58.118 0.504 1
1 856 . 11 1 1 A 72 72 LEU CB C 72 40.911 41.319 -0.408 1
1 859 . 11 1 1 A 72 72 LEU N N 72 120.539 120.029 0.510 1
1 860 . 11 1 1 A 73 73 ARG H H 73 8.244 8.133 0.111 1
1 861 . 11 1 1 A 73 73 ARG HA H 73 4.100 3.885 0.215 1
1 869 . 11 1 1 A 73 73 ARG C C 73 178.935 178.989 -0.054 1
1 870 . 11 1 1 A 73 73 ARG CA C 73 57.649 59.542 -1.893 1
1 871 . 11 1 1 A 73 73 ARG CB C 73 28.923 29.672 -0.749 1
1 874 . 11 1 1 A 73 73 ARG N N 73 115.473 120.232 -4.759 1
1 876 . 11 1 1 A 74 74 GLU H H 74 7.758 7.802 -0.044 1
1 877 . 11 1 1 A 74 74 GLU HA H 74 4.139 4.146 -0.007 1
1 882 . 11 1 1 A 74 74 GLU C C 74 179.640 179.406 0.234 1
1 883 . 11 1 1 A 74 74 GLU CA C 74 59.519 59.450 0.069 1
1 884 . 11 1 1 A 74 74 GLU CB C 74 28.670 29.132 -0.462 1
1 886 . 11 1 1 A 74 74 GLU N N 74 122.400 119.492 2.908 1
1 887 . 11 1 1 A 75 75 LEU H H 75 8.387 7.888 0.499 1
1 888 . 11 1 1 A 75 75 LEU HA H 75 4.070 4.125 -0.055 1
1 898 . 11 1 1 A 75 75 LEU C C 75 178.024 179.083 -1.059 1
1 899 . 11 1 1 A 75 75 LEU CA C 75 58.147 57.953 0.194 1
1 900 . 11 1 1 A 75 75 LEU CB C 75 42.673 41.519 1.154 1
1 904 . 11 1 1 A 75 75 LEU N N 75 119.699 120.958 -1.259 1
1 905 . 11 1 1 A 76 76 GLU H H 76 8.537 8.540 -0.003 1
1 906 . 11 1 1 A 76 76 GLU HA H 76 3.751 3.937 -0.186 1
1 911 . 11 1 1 A 76 76 GLU C C 76 178.799 178.941 -0.142 1
1 912 . 11 1 1 A 76 76 GLU CA C 76 59.871 59.987 -0.116 1
1 913 . 11 1 1 A 76 76 GLU CB C 76 30.145 29.149 0.996 1
1 915 . 11 1 1 A 76 76 GLU N N 76 120.074 119.090 0.984 1
1 916 . 11 1 1 A 77 77 ARG H H 77 8.032 7.718 0.314 1
1 917 . 11 1 1 A 77 77 ARG HA H 77 3.934 4.069 -0.135 1
1 924 . 11 1 1 A 77 77 ARG C C 77 179.220 177.903 1.317 1
1 925 . 11 1 1 A 77 77 ARG CA C 77 59.974 59.231 0.743 1
1 926 . 11 1 1 A 77 77 ARG CB C 77 30.413 30.055 0.358 1
1 929 . 11 1 1 A 77 77 ARG N N 77 120.100 120.346 -0.246 1
1 930 . 11 1 1 A 78 78 TYR H H 78 8.084 7.859 0.225 1
1 931 . 11 1 1 A 78 78 TYR HA H 78 4.260 4.197 0.063 1
1 938 . 11 1 1 A 78 78 TYR C C 78 178.620 177.339 1.281 1
1 939 . 11 1 1 A 78 78 TYR CA C 78 61.507 61.166 0.341 1
1 940 . 11 1 1 A 78 78 TYR CB C 78 38.440 38.711 -0.271 1
1 945 . 11 1 1 A 78 78 TYR N N 78 120.327 120.871 -0.544 1
1 946 . 11 1 1 A 79 79 VAL H H 79 9.136 8.229 0.907 1
1 947 . 11 1 1 A 79 79 VAL HA H 79 3.161 3.705 -0.544 1
1 955 . 11 1 1 A 79 79 VAL C C 79 178.067 178.416 -0.349 1
1 956 . 11 1 1 A 79 79 VAL CA C 79 67.306 65.611 1.695 1
1 957 . 11 1 1 A 79 79 VAL CB C 79 31.505 31.416 0.089 1
1 960 . 11 1 1 A 79 79 VAL N N 79 120.576 118.885 1.691 1
1 961 . 11 1 1 A 80 80 THR H H 80 8.297 8.071 0.226 1
1 962 . 11 1 1 A 80 80 THR HA H 80 3.721 3.996 -0.275 1
1 967 . 11 1 1 A 80 80 THR C C 80 176.623 176.948 -0.325 1
1 968 . 11 1 1 A 80 80 THR CA C 80 66.823 65.805 1.018 1
1 969 . 11 1 1 A 80 80 THR CB C 80 68.508 68.390 0.118 1
1 971 . 11 1 1 A 80 80 THR N N 80 115.107 117.262 -2.155 1
1 972 . 11 1 1 A 81 81 SER H H 81 7.537 8.122 -0.585 1
1 973 . 11 1 1 A 81 81 SER HA H 81 4.165 4.179 -0.014 1
1 976 . 11 1 1 A 81 81 SER C C 81 176.196 175.890 0.306 1
1 977 . 11 1 1 A 81 81 SER CA C 81 61.371 61.453 -0.082 1
1 978 . 11 1 1 A 81 81 SER CB C 81 62.826 63.186 -0.360 1
1 979 . 11 1 1 A 81 81 SER N N 81 116.178 117.646 -1.468 1
1 980 . 11 1 1 A 82 82 CYS H H 82 7.523 7.192 0.331 1
1 981 . 11 1 1 A 82 82 CYS HA H 82 4.084 4.337 -0.253 1
1 984 . 11 1 1 A 82 82 CYS C C 82 176.363 176.651 -0.288 1
1 985 . 11 1 1 A 82 82 CYS CA C 82 62.173 61.425 0.748 1
1 986 . 11 1 1 A 82 82 CYS CB C 82 27.872 28.096 -0.224 1
1 987 . 11 1 1 A 82 82 CYS N N 82 118.207 119.741 -1.534 1
1 988 . 11 1 1 A 83 83 LEU H H 83 7.652 7.979 -0.327 1
1 989 . 11 1 1 A 83 83 LEU HA H 83 4.216 3.874 0.342 1
1 999 . 11 1 1 A 83 83 LEU C C 83 177.349 176.919 0.430 1
1 1000 . 11 1 1 A 83 83 LEU CA C 83 55.521 57.961 -2.440 1
1 1001 . 11 1 1 A 83 83 LEU CB C 83 42.550 41.325 1.225 1
1 1005 . 11 1 1 A 83 83 LEU N N 83 118.141 121.506 -3.365 1
1 1006 . 11 1 1 A 84 84 ARG H H 84 7.754 7.957 -0.203 1
1 1007 . 11 1 1 A 84 84 ARG HA H 84 4.153 3.898 0.255 1
1 1014 . 11 1 1 A 84 84 ARG C C 84 176.300 175.015 1.285 1
1 1015 . 11 1 1 A 84 84 ARG CA C 84 56.829 57.014 -0.185 1
1 1016 . 11 1 1 A 84 84 ARG CB C 84 29.926 28.642 1.284 1
1 1019 . 11 1 1 A 84 84 ARG N N 84 118.881 118.817 0.064 1
1 1020 . 11 1 1 A 85 85 LYS H H 85 7.904 7.893 0.011 1
1 1021 . 11 1 1 A 85 85 LYS HA H 85 4.178 4.671 -0.493 1
1 1030 . 11 1 1 A 85 85 LYS C C 85 176.549 175.156 1.393 1
1 1031 . 11 1 1 A 85 85 LYS CA C 85 56.514 55.102 1.412 1
1 1032 . 11 1 1 A 85 85 LYS CB C 85 32.931 33.989 -1.058 1
1 1036 . 11 1 1 A 85 85 LYS N N 85 120.528 118.652 1.876 1
1 1037 . 11 1 1 A 86 86 LYS H H 86 8.139 8.382 -0.243 1
1 1038 . 11 1 1 A 86 86 LYS HA H 86 4.194 4.826 -0.632 1
1 1047 . 11 1 1 A 86 86 LYS C C 86 176.395 175.137 1.258 1
1 1048 . 11 1 1 A 86 86 LYS CA C 86 56.244 55.498 0.746 1
1 1049 . 11 1 1 A 86 86 LYS CB C 86 32.971 35.745 -2.774 1
1 1053 . 11 1 1 A 86 86 LYS N N 86 121.979 121.995 -0.016 1
1 1054 . 11 1 1 A 87 87 ARG H H 87 8.242 8.554 -0.312 1
1 1055 . 11 1 1 A 87 87 ARG HA H 87 4.223 4.167 0.056 1
1 1062 . 11 1 1 A 87 87 ARG C C 87 175.989 175.784 0.205 1
1 1063 . 11 1 1 A 87 87 ARG CA C 87 55.953 55.875 0.078 1
1 1064 . 11 1 1 A 87 87 ARG CB C 87 31.019 30.807 0.212 1
1 1067 . 11 1 1 A 87 87 ARG N N 87 122.606 125.387 -2.781 1
1 1068 . 11 1 1 A 88 88 LYS H H 88 8.318 8.650 -0.332 1
1 1069 . 11 1 1 A 88 88 LYS HA H 88 4.506 4.900 -0.394 1
1 1074 . 11 1 1 A 88 88 LYS C C 88 174.589 173.636 0.953 1
1 1075 . 11 1 1 A 88 88 LYS CA C 88 54.349 54.332 0.017 1
1 1076 . 11 1 1 A 88 88 LYS CB C 88 32.576 35.185 -2.609 1
1 1077 . 11 1 1 A 88 88 LYS N N 88 124.253 117.264 6.989 1
1 1078 . 11 1 1 A 89 89 PRO HA H 89 4.327 4.769 -0.442 1
1 1085 . 11 1 1 A 89 89 PRO C C 89 176.044 175.357 0.687 1
1 1086 . 11 1 1 A 89 89 PRO CA C 89 63.489 62.700 0.789 1
1 1087 . 11 1 1 A 89 89 PRO CB C 89 31.921 33.434 -1.513 1
1 1 . 12 1 1 A 4 4 GLY C C 4 174.318 172.628 1.690 1
1 2 . 12 1 1 A 4 4 GLY CA C 4 45.318 46.120 -0.802 1
1 3 . 12 1 1 A 5 5 SER H H 5 8.211 8.192 0.019 1
1 4 . 12 1 1 A 5 5 SER HA H 5 4.460 4.647 -0.187 1
1 7 . 12 1 1 A 5 5 SER C C 5 174.891 173.272 1.619 1
1 8 . 12 1 1 A 5 5 SER CA C 5 58.299 57.741 0.558 1
1 9 . 12 1 1 A 5 5 SER CB C 5 64.052 64.221 -0.169 1
1 10 . 12 1 1 A 5 5 SER N N 5 115.510 121.142 -5.632 1
1 11 . 12 1 1 A 6 6 SER H H 6 8.444 8.996 -0.552 1
1 12 . 12 1 1 A 6 6 SER HA H 6 4.428 4.557 -0.129 1
1 15 . 12 1 1 A 6 6 SER C C 6 175.096 174.613 0.483 1
1 16 . 12 1 1 A 6 6 SER CA C 6 58.706 59.496 -0.790 1
1 17 . 12 1 1 A 6 6 SER CB C 6 63.920 64.496 -0.576 1
1 18 . 12 1 1 A 6 6 SER N N 6 117.613 119.128 -1.515 1
1 19 . 12 1 1 A 7 7 GLY H H 7 8.359 8.288 0.071 1
1 20 . 12 1 1 A 7 7 GLY HA2 H 7 3.916 4.023 -0.107 1
1 21 . 12 1 1 A 7 7 GLY HA3 H 7 3.916 4.023 -0.107 1
1 22 . 12 1 1 A 7 7 GLY C C 7 174.309 173.536 0.773 1
1 23 . 12 1 1 A 7 7 GLY CA C 7 45.399 45.157 0.242 1
1 24 . 12 1 1 A 7 7 GLY N N 7 110.468 108.476 1.992 1
1 25 . 12 1 1 A 8 8 GLU H H 8 8.235 7.440 0.795 1
1 26 . 12 1 1 A 8 8 GLU HA H 8 4.248 4.892 -0.644 1
1 31 . 12 1 1 A 8 8 GLU C C 8 176.732 175.989 0.743 1
1 32 . 12 1 1 A 8 8 GLU CA C 8 56.630 55.058 1.572 1
1 33 . 12 1 1 A 8 8 GLU CB C 8 30.243 32.915 -2.672 1
1 35 . 12 1 1 A 8 8 GLU N N 8 120.254 121.045 -0.791 1
1 36 . 12 1 1 A 9 9 SER H H 9 8.327 8.798 -0.471 1
1 37 . 12 1 1 A 9 9 SER HA H 9 4.385 4.452 -0.067 1
1 40 . 12 1 1 A 9 9 SER C C 9 174.682 176.420 -1.738 1
1 41 . 12 1 1 A 9 9 SER CA C 9 58.470 59.472 -1.002 1
1 42 . 12 1 1 A 9 9 SER CB C 9 63.742 63.440 0.302 1
1 43 . 12 1 1 A 9 9 SER N N 9 116.213 120.975 -4.762 1
1 44 . 12 1 1 A 10 10 GLU H H 10 8.428 8.176 0.252 1
1 45 . 12 1 1 A 10 10 GLU HA H 10 4.232 4.047 0.185 1
1 50 . 12 1 1 A 10 10 GLU C C 10 176.769 178.208 -1.439 1
1 51 . 12 1 1 A 10 10 GLU CA C 10 56.887 59.719 -2.832 1
1 52 . 12 1 1 A 10 10 GLU CB C 10 30.267 29.509 0.758 1
1 54 . 12 1 1 A 10 10 GLU N N 10 122.618 122.356 0.262 1
1 55 . 12 1 1 A 11 11 GLU H H 11 8.315 8.382 -0.067 1
1 56 . 12 1 1 A 11 11 GLU HA H 11 4.179 4.307 -0.128 1
1 61 . 12 1 1 A 11 11 GLU C C 11 177.182 177.356 -0.174 1
1 62 . 12 1 1 A 11 11 GLU CA C 11 56.896 57.222 -0.326 1
1 63 . 12 1 1 A 11 11 GLU CB C 11 30.317 29.836 0.481 1
1 65 . 12 1 1 A 11 11 GLU N N 11 120.909 116.117 4.792 1
1 66 . 12 1 1 A 12 12 GLU H H 12 8.333 8.002 0.331 1
1 67 . 12 1 1 A 12 12 GLU HA H 12 4.100 4.376 -0.276 1
1 72 . 12 1 1 A 12 12 GLU C C 12 176.860 176.779 0.081 1
1 73 . 12 1 1 A 12 12 GLU CA C 12 57.495 57.630 -0.135 1
1 74 . 12 1 1 A 12 12 GLU CB C 12 30.221 30.210 0.011 1
1 76 . 12 1 1 A 12 12 GLU N N 12 121.578 118.056 3.522 1
1 77 . 12 1 1 A 13 13 ASP H H 13 8.332 7.832 0.500 1
1 78 . 12 1 1 A 13 13 ASP HA H 13 4.468 4.709 -0.241 1
1 81 . 12 1 1 A 13 13 ASP C C 13 176.833 176.110 0.723 1
1 82 . 12 1 1 A 13 13 ASP CA C 13 54.921 53.627 1.294 1
1 83 . 12 1 1 A 13 13 ASP CB C 13 40.912 41.268 -0.356 1
1 84 . 12 1 1 A 13 13 ASP N N 13 120.147 119.053 1.094 1
1 85 . 12 1 1 A 14 14 LYS H H 14 8.014 7.844 0.170 1
1 86 . 12 1 1 A 14 14 LYS HA H 14 4.204 4.779 -0.575 1
1 95 . 12 1 1 A 14 14 LYS C C 14 176.568 175.533 1.035 1
1 96 . 12 1 1 A 14 14 LYS CA C 14 56.558 54.375 2.183 1
1 97 . 12 1 1 A 14 14 LYS CB C 14 32.598 34.318 -1.720 1
1 101 . 12 1 1 A 14 14 LYS N N 14 120.485 119.218 1.267 1
1 102 . 12 1 1 A 15 15 CYS H H 15 8.013 8.584 -0.571 1
1 103 . 12 1 1 A 15 15 CYS HA H 15 4.304 5.079 -0.775 1
1 106 . 12 1 1 A 15 15 CYS C C 15 173.801 172.981 0.820 1
1 107 . 12 1 1 A 15 15 CYS CA C 15 58.337 57.383 0.954 1
1 108 . 12 1 1 A 15 15 CYS CB C 15 28.061 32.962 -4.901 1
1 109 . 12 1 1 A 15 15 CYS N N 15 118.099 118.462 -0.363 1
1 110 . 12 1 1 A 16 16 LYS H H 16 8.287 8.500 -0.213 1
1 111 . 12 1 1 A 16 16 LYS HA H 16 4.491 4.778 -0.287 1
1 120 . 12 1 1 A 16 16 LYS C C 16 175.117 174.117 1.000 1
1 121 . 12 1 1 A 16 16 LYS CA C 16 54.512 52.934 1.578 1
1 122 . 12 1 1 A 16 16 LYS CB C 16 32.697 33.332 -0.635 1
1 124 . 12 1 1 A 16 16 LYS N N 16 125.369 121.293 4.076 1
1 125 . 12 1 1 A 17 17 PRO HA H 17 4.247 4.776 -0.529 1
1 132 . 12 1 1 A 17 17 PRO C C 17 176.956 176.962 -0.006 1
1 133 . 12 1 1 A 17 17 PRO CA C 17 63.088 62.618 0.470 1
1 134 . 12 1 1 A 17 17 PRO CB C 17 32.244 31.804 0.440 1
1 137 . 12 1 1 A 18 18 MET H H 18 8.516 8.273 0.243 1
1 138 . 12 1 1 A 18 18 MET HA H 18 4.488 4.666 -0.178 1
1 146 . 12 1 1 A 18 18 MET C C 18 176.759 176.453 0.306 1
1 147 . 12 1 1 A 18 18 MET CA C 18 56.169 55.164 1.005 1
1 148 . 12 1 1 A 18 18 MET CB C 18 35.531 32.466 3.065 1
1 151 . 12 1 1 A 18 18 MET N N 18 121.801 123.099 -1.298 1
1 152 . 12 1 1 A 19 19 SER H H 19 9.100 9.364 -0.264 1
1 153 . 12 1 1 A 19 19 SER HA H 19 4.459 4.598 -0.139 1
1 156 . 12 1 1 A 19 19 SER C C 19 175.018 175.416 -0.398 1
1 157 . 12 1 1 A 19 19 SER CA C 19 56.894 58.653 -1.759 1
1 158 . 12 1 1 A 19 19 SER CB C 19 65.854 64.480 1.374 1
1 159 . 12 1 1 A 19 19 SER N N 19 119.212 119.990 -0.778 1
1 160 . 12 1 1 A 20 20 TYR H H 20 8.959 9.285 -0.326 1
1 161 . 12 1 1 A 20 20 TYR HA H 20 4.029 4.140 -0.111 1
1 168 . 12 1 1 A 20 20 TYR C C 20 177.960 177.405 0.555 1
1 169 . 12 1 1 A 20 20 TYR CA C 20 62.463 62.476 -0.013 1
1 170 . 12 1 1 A 20 20 TYR CB C 20 38.009 38.733 -0.724 1
1 175 . 12 1 1 A 20 20 TYR N N 20 121.218 124.331 -3.113 1
1 176 . 12 1 1 A 21 21 GLU H H 21 8.825 8.410 0.415 1
1 177 . 12 1 1 A 21 21 GLU HA H 21 3.811 3.968 -0.157 1
1 182 . 12 1 1 A 21 21 GLU C C 21 179.481 179.303 0.178 1
1 183 . 12 1 1 A 21 21 GLU CA C 21 59.951 60.024 -0.073 1
1 184 . 12 1 1 A 21 21 GLU CB C 21 28.823 29.165 -0.342 1
1 186 . 12 1 1 A 21 21 GLU N N 21 118.696 117.880 0.816 1
1 187 . 12 1 1 A 22 22 GLU H H 22 7.771 8.094 -0.323 1
1 188 . 12 1 1 A 22 22 GLU HA H 22 3.899 4.104 -0.205 1
1 193 . 12 1 1 A 22 22 GLU C C 22 179.680 179.214 0.466 1
1 194 . 12 1 1 A 22 22 GLU CA C 22 59.498 59.120 0.378 1
1 195 . 12 1 1 A 22 22 GLU CB C 22 30.385 29.727 0.658 1
1 197 . 12 1 1 A 22 22 GLU N N 22 120.141 121.206 -1.065 1
1 198 . 12 1 1 A 23 23 LYS H H 23 8.101 7.810 0.291 1
1 199 . 12 1 1 A 23 23 LYS HA H 23 3.662 3.719 -0.057 1
1 208 . 12 1 1 A 23 23 LYS C C 23 178.250 179.328 -1.078 1
1 209 . 12 1 1 A 23 23 LYS CA C 23 60.345 59.829 0.516 1
1 210 . 12 1 1 A 23 23 LYS CB C 23 32.611 32.036 0.575 1
1 214 . 12 1 1 A 23 23 LYS N N 23 120.594 119.053 1.541 1
1 215 . 12 1 1 A 24 24 ARG H H 24 8.030 7.975 0.055 1
1 216 . 12 1 1 A 24 24 ARG HA H 24 3.721 3.986 -0.265 1
1 223 . 12 1 1 A 24 24 ARG C C 24 178.992 178.684 0.308 1
1 224 . 12 1 1 A 24 24 ARG CA C 24 59.055 59.375 -0.320 1
1 225 . 12 1 1 A 24 24 ARG CB C 24 29.623 29.788 -0.165 1
1 228 . 12 1 1 A 24 24 ARG N N 24 120.100 118.687 1.413 1
1 229 . 12 1 1 A 25 25 GLN H H 25 7.940 7.691 0.249 1
1 230 . 12 1 1 A 25 25 GLN HA H 25 3.706 3.990 -0.284 1
1 237 . 12 1 1 A 25 25 GLN C C 25 177.078 177.650 -0.572 1
1 238 . 12 1 1 A 25 25 GLN CA C 25 58.104 58.638 -0.534 1
1 239 . 12 1 1 A 25 25 GLN CB C 25 28.294 28.173 0.121 1
1 241 . 12 1 1 A 25 25 GLN N N 25 118.586 119.725 -1.139 1
1 243 . 12 1 1 A 26 26 LEU H H 26 7.843 7.755 0.088 1
1 244 . 12 1 1 A 26 26 LEU HA H 26 4.182 3.958 0.224 1
1 254 . 12 1 1 A 26 26 LEU C C 26 178.116 178.711 -0.595 1
1 255 . 12 1 1 A 26 26 LEU CA C 26 57.867 57.647 0.220 1
1 256 . 12 1 1 A 26 26 LEU CB C 26 41.167 41.299 -0.132 1
1 259 . 12 1 1 A 26 26 LEU N N 26 119.570 120.809 -1.239 1
1 260 . 12 1 1 A 27 27 SER H H 27 7.710 7.707 0.003 1
1 261 . 12 1 1 A 27 27 SER HA H 27 3.869 4.321 -0.452 1
1 264 . 12 1 1 A 27 27 SER C C 27 176.845 177.549 -0.704 1
1 265 . 12 1 1 A 27 27 SER CA C 27 61.478 61.437 0.041 1
1 266 . 12 1 1 A 27 27 SER CB C 27 62.828 63.029 -0.201 1
1 267 . 12 1 1 A 27 27 SER N N 27 112.126 115.305 -3.179 1
1 268 . 12 1 1 A 28 28 LEU H H 28 7.613 8.021 -0.408 1
1 269 . 12 1 1 A 28 28 LEU HA H 28 3.954 3.972 -0.018 1
1 279 . 12 1 1 A 28 28 LEU C C 28 180.044 178.870 1.174 1
1 280 . 12 1 1 A 28 28 LEU CA C 28 57.862 57.887 -0.025 1
1 281 . 12 1 1 A 28 28 LEU CB C 28 41.703 41.344 0.359 1
1 285 . 12 1 1 A 28 28 LEU N N 28 120.774 121.726 -0.952 1
1 286 . 12 1 1 A 29 29 ASP H H 29 8.476 7.751 0.725 1
1 287 . 12 1 1 A 29 29 ASP HA H 29 4.236 4.432 -0.196 1
1 290 . 12 1 1 A 29 29 ASP C C 29 179.532 179.095 0.437 1
1 291 . 12 1 1 A 29 29 ASP CA C 29 57.618 57.172 0.446 1
1 292 . 12 1 1 A 29 29 ASP CB C 29 40.447 40.993 -0.546 1
1 293 . 12 1 1 A 29 29 ASP N N 29 120.971 119.749 1.222 1
1 294 . 12 1 1 A 30 30 ILE H H 30 8.558 8.207 0.351 1
1 295 . 12 1 1 A 30 30 ILE HA H 30 3.564 3.749 -0.185 1
1 305 . 12 1 1 A 30 30 ILE C C 30 178.098 178.108 -0.010 1
1 306 . 12 1 1 A 30 30 ILE CA C 30 65.616 64.925 0.691 1
1 307 . 12 1 1 A 30 30 ILE CB C 30 37.697 37.390 0.307 1
1 311 . 12 1 1 A 30 30 ILE N N 30 120.240 121.573 -1.333 1
1 312 . 12 1 1 A 31 31 ASN H H 31 7.350 8.387 -1.037 1
1 313 . 12 1 1 A 31 31 ASN HA H 31 4.560 4.528 0.032 1
1 318 . 12 1 1 A 31 31 ASN C C 31 175.952 177.206 -1.254 1
1 319 . 12 1 1 A 31 31 ASN CA C 31 54.997 56.434 -1.437 1
1 320 . 12 1 1 A 31 31 ASN CB C 31 38.769 38.256 0.513 1
1 321 . 12 1 1 A 31 31 ASN N N 31 115.285 119.568 -4.283 1
1 323 . 12 1 1 A 32 32 LYS H H 32 7.509 7.664 -0.155 1
1 324 . 12 1 1 A 32 32 LYS HA H 32 4.286 4.312 -0.026 1
1 333 . 12 1 1 A 32 32 LYS C C 32 177.232 176.581 0.651 1
1 334 . 12 1 1 A 32 32 LYS CA C 32 56.330 56.980 -0.650 1
1 335 . 12 1 1 A 32 32 LYS CB C 32 33.570 32.722 0.848 1
1 339 . 12 1 1 A 32 32 LYS N N 32 117.496 117.108 0.388 1
1 340 . 12 1 1 A 33 33 LEU H H 33 7.455 7.293 0.162 1
1 341 . 12 1 1 A 33 33 LEU HA H 33 4.265 4.406 -0.141 1
1 351 . 12 1 1 A 33 33 LEU CA C 33 53.436 52.793 0.643 1
1 352 . 12 1 1 A 33 33 LEU CB C 33 41.464 41.766 -0.302 1
1 356 . 12 1 1 A 33 33 LEU N N 33 120.501 121.093 -0.592 1
1 357 . 12 1 1 A 34 34 PRO HA H 34 4.561 4.609 -0.048 1
1 364 . 12 1 1 A 34 34 PRO C C 34 178.359 177.803 0.556 1
1 365 . 12 1 1 A 34 34 PRO CA C 34 62.251 62.455 -0.204 1
1 366 . 12 1 1 A 34 34 PRO CB C 34 32.489 32.690 -0.201 1
1 369 . 12 1 1 A 35 35 GLY H H 35 8.865 8.707 0.158 1
1 370 . 12 1 1 A 35 35 GLY HA2 H 35 3.709 3.811 -0.102 1
1 371 . 12 1 1 A 35 35 GLY HA3 H 35 4.005 3.816 0.189 1
1 372 . 12 1 1 A 35 35 GLY C C 35 176.845 176.007 0.838 1
1 373 . 12 1 1 A 35 35 GLY CA C 35 48.165 47.350 0.815 1
1 374 . 12 1 1 A 35 35 GLY N N 35 109.986 109.064 0.922 1
1 375 . 12 1 1 A 36 36 GLU H H 36 9.360 8.631 0.729 1
1 376 . 12 1 1 A 36 36 GLU HA H 36 4.233 4.047 0.186 1
1 381 . 12 1 1 A 36 36 GLU C C 36 178.326 178.151 0.175 1
1 382 . 12 1 1 A 36 36 GLU CA C 36 58.964 59.208 -0.244 1
1 383 . 12 1 1 A 36 36 GLU CB C 36 28.689 29.301 -0.612 1
1 385 . 12 1 1 A 36 36 GLU N N 36 119.485 121.866 -2.381 1
1 386 . 12 1 1 A 37 37 LYS H H 37 7.734 7.902 -0.168 1
1 387 . 12 1 1 A 37 37 LYS HA H 37 4.516 4.222 0.294 1
1 396 . 12 1 1 A 37 37 LYS C C 37 178.698 179.196 -0.498 1
1 397 . 12 1 1 A 37 37 LYS CA C 37 55.977 58.169 -2.192 1
1 398 . 12 1 1 A 37 37 LYS CB C 37 32.981 32.594 0.387 1
1 402 . 12 1 1 A 37 37 LYS N N 37 116.668 118.923 -2.255 1
1 403 . 12 1 1 A 38 38 LEU H H 38 7.882 7.908 -0.026 1
1 404 . 12 1 1 A 38 38 LEU HA H 38 4.103 4.030 0.073 1
1 414 . 12 1 1 A 38 38 LEU C C 38 179.042 178.702 0.340 1
1 415 . 12 1 1 A 38 38 LEU CA C 38 57.832 57.810 0.022 1
1 416 . 12 1 1 A 38 38 LEU CB C 38 41.753 41.828 -0.075 1
1 420 . 12 1 1 A 38 38 LEU N N 38 121.898 121.826 0.072 1
1 421 . 12 1 1 A 39 39 GLY H H 39 8.212 7.816 0.396 1
1 422 . 12 1 1 A 39 39 GLY HA2 H 39 3.720 3.770 -0.050 1
1 423 . 12 1 1 A 39 39 GLY HA3 H 39 3.853 3.802 0.051 1
1 424 . 12 1 1 A 39 39 GLY C C 39 176.507 175.637 0.870 1
1 425 . 12 1 1 A 39 39 GLY CA C 39 47.218 47.097 0.121 1
1 426 . 12 1 1 A 39 39 GLY N N 39 106.042 106.636 -0.594 1
1 427 . 12 1 1 A 40 40 ARG H H 40 7.416 8.128 -0.712 1
1 428 . 12 1 1 A 40 40 ARG HA H 40 4.031 3.842 0.189 1
1 435 . 12 1 1 A 40 40 ARG C C 40 177.974 178.318 -0.344 1
1 436 . 12 1 1 A 40 40 ARG CA C 40 57.460 58.492 -1.032 1
1 437 . 12 1 1 A 40 40 ARG CB C 40 29.051 29.628 -0.577 1
1 440 . 12 1 1 A 40 40 ARG N N 40 120.046 122.028 -1.982 1
1 441 . 12 1 1 A 41 41 VAL H H 41 7.417 8.041 -0.624 1
1 442 . 12 1 1 A 41 41 VAL HA H 41 3.285 3.621 -0.336 1
1 450 . 12 1 1 A 41 41 VAL C C 41 177.090 178.059 -0.969 1
1 451 . 12 1 1 A 41 41 VAL CA C 41 66.979 66.487 0.492 1
1 452 . 12 1 1 A 41 41 VAL CB C 41 31.059 31.613 -0.554 1
1 455 . 12 1 1 A 41 41 VAL N N 41 119.285 119.510 -0.225 1
1 456 . 12 1 1 A 42 42 VAL H H 42 7.493 8.062 -0.569 1
1 457 . 12 1 1 A 42 42 VAL HA H 42 3.395 3.665 -0.270 1
1 465 . 12 1 1 A 42 42 VAL C C 42 177.200 178.675 -1.475 1
1 466 . 12 1 1 A 42 42 VAL CA C 42 66.764 66.481 0.283 1
1 467 . 12 1 1 A 42 42 VAL CB C 42 31.296 31.420 -0.124 1
1 470 . 12 1 1 A 42 42 VAL N N 42 116.606 119.952 -3.346 1
1 471 . 12 1 1 A 43 43 HIS H H 43 7.602 8.115 -0.513 1
1 472 . 12 1 1 A 43 43 HIS HA H 43 4.264 4.299 -0.035 1
1 477 . 12 1 1 A 43 43 HIS C C 43 178.854 178.009 0.845 1
1 478 . 12 1 1 A 43 43 HIS CA C 43 59.824 59.651 0.173 1
1 479 . 12 1 1 A 43 43 HIS CB C 43 30.605 29.751 0.854 1
1 482 . 12 1 1 A 43 43 HIS N N 43 118.867 117.282 1.585 1
1 483 . 12 1 1 A 44 44 ILE H H 44 8.344 7.931 0.413 1
1 484 . 12 1 1 A 44 44 ILE HA H 44 3.375 3.644 -0.269 1
1 494 . 12 1 1 A 44 44 ILE C C 44 178.054 178.316 -0.262 1
1 495 . 12 1 1 A 44 44 ILE CA C 44 65.922 64.218 1.704 1
1 496 . 12 1 1 A 44 44 ILE CB C 44 37.950 37.627 0.323 1
1 500 . 12 1 1 A 44 44 ILE N N 44 121.530 120.393 1.137 1
1 501 . 12 1 1 A 45 45 ILE H H 45 7.604 7.853 -0.249 1
1 502 . 12 1 1 A 45 45 ILE HA H 45 3.311 3.589 -0.278 1
1 512 . 12 1 1 A 45 45 ILE C C 45 177.378 177.886 -0.508 1
1 513 . 12 1 1 A 45 45 ILE CA C 45 66.577 64.935 1.642 1
1 514 . 12 1 1 A 45 45 ILE CB C 45 38.168 37.303 0.865 1
1 518 . 12 1 1 A 45 45 ILE N N 45 117.572 121.142 -3.570 1
1 519 . 12 1 1 A 46 46 GLN H H 46 8.626 7.896 0.730 1
1 520 . 12 1 1 A 46 46 GLN HA H 46 3.719 3.970 -0.251 1
1 527 . 12 1 1 A 46 46 GLN C C 46 177.483 178.674 -1.191 1
1 528 . 12 1 1 A 46 46 GLN CA C 46 59.443 58.804 0.639 1
1 529 . 12 1 1 A 46 46 GLN CB C 46 28.832 28.163 0.669 1
1 531 . 12 1 1 A 46 46 GLN N N 46 115.916 119.584 -3.668 1
1 533 . 12 1 1 A 47 47 SER H H 47 7.862 7.695 0.167 1
1 534 . 12 1 1 A 47 47 SER HA H 47 4.064 4.216 -0.152 1
1 537 . 12 1 1 A 47 47 SER C C 47 175.615 175.662 -0.047 1
1 538 . 12 1 1 A 47 47 SER CA C 47 60.602 61.058 -0.456 1
1 539 . 12 1 1 A 47 47 SER CB C 47 63.313 63.307 0.006 1
1 540 . 12 1 1 A 47 47 SER N N 47 110.902 115.877 -4.975 1
1 541 . 12 1 1 A 48 48 ARG H H 48 7.362 7.950 -0.588 1
1 542 . 12 1 1 A 48 48 ARG HA H 48 4.306 4.365 -0.059 1
1 549 . 12 1 1 A 48 48 ARG C C 48 176.365 176.142 0.223 1
1 550 . 12 1 1 A 48 48 ARG CA C 48 55.992 56.812 -0.820 1
1 551 . 12 1 1 A 48 48 ARG CB C 48 33.000 31.262 1.738 1
1 554 . 12 1 1 A 48 48 ARG N N 48 118.403 117.996 0.407 1
1 555 . 12 1 1 A 49 49 GLU H H 49 7.714 7.660 0.054 1
1 556 . 12 1 1 A 49 49 GLU HA H 49 4.806 4.769 0.037 1
1 561 . 12 1 1 A 49 49 GLU C C 49 174.213 174.761 -0.548 1
1 562 . 12 1 1 A 49 49 GLU CA C 49 52.903 53.624 -0.721 1
1 563 . 12 1 1 A 49 49 GLU CB C 49 28.835 30.096 -1.261 1
1 565 . 12 1 1 A 49 49 GLU N N 49 118.387 119.055 -0.668 1
1 566 . 12 1 1 A 50 50 PRO HA H 50 4.273 4.277 -0.004 1
1 573 . 12 1 1 A 50 50 PRO C C 50 178.412 177.544 0.868 1
1 574 . 12 1 1 A 50 50 PRO CA C 50 64.641 64.819 -0.178 1
1 575 . 12 1 1 A 50 50 PRO CB C 50 32.045 32.040 0.005 1
1 578 . 12 1 1 A 51 51 SER H H 51 8.290 8.231 0.059 1
1 579 . 12 1 1 A 51 51 SER HA H 51 4.271 4.392 -0.121 1
1 582 . 12 1 1 A 51 51 SER C C 51 175.130 175.109 0.021 1
1 583 . 12 1 1 A 51 51 SER CA C 51 59.824 59.842 -0.018 1
1 584 . 12 1 1 A 51 51 SER CB C 51 63.071 62.726 0.345 1
1 585 . 12 1 1 A 51 51 SER N N 51 112.214 112.400 -0.186 1
1 586 . 12 1 1 A 52 52 LEU H H 52 7.882 7.547 0.335 1
1 587 . 12 1 1 A 52 52 LEU HA H 52 4.479 4.408 0.071 1
1 597 . 12 1 1 A 52 52 LEU C C 52 177.843 177.711 0.132 1
1 598 . 12 1 1 A 52 52 LEU CA C 52 54.734 54.720 0.014 1
1 599 . 12 1 1 A 52 52 LEU CB C 52 42.500 42.225 0.275 1
1 603 . 12 1 1 A 52 52 LEU N N 52 121.800 118.868 2.932 1
1 604 . 12 1 1 A 53 53 LYS H H 53 7.638 7.385 0.253 1
1 605 . 12 1 1 A 53 53 LYS HA H 53 4.022 3.985 0.037 1
1 614 . 12 1 1 A 53 53 LYS C C 53 176.270 177.609 -1.339 1
1 615 . 12 1 1 A 53 53 LYS CA C 53 58.288 58.810 -0.522 1
1 616 . 12 1 1 A 53 53 LYS CB C 53 32.924 32.064 0.860 1
1 620 . 12 1 1 A 53 53 LYS N N 53 121.559 121.193 0.366 1
1 621 . 12 1 1 A 54 54 ASN H H 54 8.266 7.503 0.763 1
1 622 . 12 1 1 A 54 54 ASN HA H 54 4.732 4.879 -0.147 1
1 627 . 12 1 1 A 54 54 ASN C C 54 175.097 174.109 0.988 1
1 628 . 12 1 1 A 54 54 ASN CA C 54 53.020 53.155 -0.135 1
1 629 . 12 1 1 A 54 54 ASN CB C 54 38.863 38.874 -0.011 1
1 630 . 12 1 1 A 54 54 ASN N N 54 116.053 115.208 0.845 1
1 632 . 12 1 1 A 55 55 SER H H 55 7.692 7.333 0.359 1
1 633 . 12 1 1 A 55 55 SER HA H 55 4.288 4.861 -0.573 1
1 636 . 12 1 1 A 55 55 SER C C 55 173.418 173.871 -0.453 1
1 637 . 12 1 1 A 55 55 SER CA C 55 58.900 57.568 1.332 1
1 638 . 12 1 1 A 55 55 SER CB C 55 63.914 65.520 -1.606 1
1 639 . 12 1 1 A 55 55 SER N N 55 115.901 117.330 -1.429 1
1 640 . 12 1 1 A 56 56 ASN H H 56 8.574 8.687 -0.113 1
1 641 . 12 1 1 A 56 56 ASN HA H 56 4.857 4.770 0.087 1
1 646 . 12 1 1 A 56 56 ASN C C 56 174.843 175.593 -0.750 1
1 647 . 12 1 1 A 56 56 ASN CA C 56 50.974 51.747 -0.773 1
1 648 . 12 1 1 A 56 56 ASN CB C 56 38.744 38.601 0.143 1
1 649 . 12 1 1 A 56 56 ASN N N 56 122.245 122.426 -0.181 1
1 651 . 12 1 1 A 57 57 PRO HA H 57 4.079 4.258 -0.179 1
1 658 . 12 1 1 A 57 57 PRO C C 57 176.856 177.715 -0.859 1
1 659 . 12 1 1 A 57 57 PRO CA C 57 64.733 65.305 -0.572 1
1 660 . 12 1 1 A 57 57 PRO CB C 57 31.968 31.896 0.072 1
1 663 . 12 1 1 A 58 58 ASP H H 58 8.024 8.583 -0.559 1
1 664 . 12 1 1 A 58 58 ASP HA H 58 4.445 4.526 -0.081 1
1 667 . 12 1 1 A 58 58 ASP C C 58 176.369 177.082 -0.713 1
1 668 . 12 1 1 A 58 58 ASP CA C 58 55.247 55.693 -0.446 1
1 669 . 12 1 1 A 58 58 ASP CB C 58 40.828 40.161 0.667 1
1 670 . 12 1 1 A 58 58 ASP N N 58 114.883 116.563 -1.680 1
1 671 . 12 1 1 A 59 59 GLU H H 59 7.663 7.892 -0.229 1
1 672 . 12 1 1 A 59 59 GLU HA H 59 4.341 4.511 -0.170 1
1 677 . 12 1 1 A 59 59 GLU C C 59 175.690 175.409 0.281 1
1 678 . 12 1 1 A 59 59 GLU CA C 59 55.425 55.838 -0.413 1
1 679 . 12 1 1 A 59 59 GLU CB C 59 31.140 31.601 -0.461 1
1 681 . 12 1 1 A 59 59 GLU N N 59 117.763 116.926 0.837 1
1 682 . 12 1 1 A 60 60 ILE H H 60 7.457 7.093 0.364 1
1 683 . 12 1 1 A 60 60 ILE HA H 60 3.962 4.109 -0.147 1
1 693 . 12 1 1 A 60 60 ILE C C 60 174.951 175.593 -0.642 1
1 694 . 12 1 1 A 60 60 ILE CA C 60 61.416 60.660 0.756 1
1 695 . 12 1 1 A 60 60 ILE CB C 60 38.693 38.627 0.066 1
1 699 . 12 1 1 A 60 60 ILE N N 60 120.600 121.141 -0.541 1
1 700 . 12 1 1 A 61 61 GLU H H 61 8.267 8.501 -0.234 1
1 701 . 12 1 1 A 61 61 GLU HA H 61 4.333 4.658 -0.325 1
1 706 . 12 1 1 A 61 61 GLU C C 61 175.576 175.811 -0.235 1
1 707 . 12 1 1 A 61 61 GLU CA C 61 55.085 55.698 -0.613 1
1 708 . 12 1 1 A 61 61 GLU CB C 61 30.717 30.889 -0.172 1
1 710 . 12 1 1 A 61 61 GLU N N 61 126.935 126.291 0.644 1
1 711 . 12 1 1 A 62 62 ILE H H 62 8.425 8.524 -0.099 1
1 712 . 12 1 1 A 62 62 ILE HA H 62 3.570 4.510 -0.940 1
1 722 . 12 1 1 A 62 62 ILE C C 62 174.594 173.777 0.817 1
1 723 . 12 1 1 A 62 62 ILE CA C 62 61.570 60.316 1.254 1
1 724 . 12 1 1 A 62 62 ILE CB C 62 38.187 39.481 -1.294 1
1 728 . 12 1 1 A 62 62 ILE N N 62 124.857 123.201 1.656 1
1 729 . 12 1 1 A 63 63 ASP H H 63 8.459 8.517 -0.058 1
1 730 . 12 1 1 A 63 63 ASP HA H 63 4.691 5.131 -0.440 1
1 733 . 12 1 1 A 63 63 ASP C C 63 177.284 176.311 0.973 1
1 734 . 12 1 1 A 63 63 ASP CA C 63 52.272 52.301 -0.029 1
1 735 . 12 1 1 A 63 63 ASP CB C 63 41.160 41.801 -0.641 1
1 736 . 12 1 1 A 63 63 ASP N N 63 126.597 127.861 -1.264 1
1 737 . 12 1 1 A 64 64 PHE H H 64 8.609 8.053 0.556 1
1 738 . 12 1 1 A 64 64 PHE HA H 64 4.016 4.246 -0.230 1
1 746 . 12 1 1 A 64 64 PHE C C 64 177.010 177.751 -0.741 1
1 747 . 12 1 1 A 64 64 PHE CA C 64 59.795 60.904 -1.109 1
1 748 . 12 1 1 A 64 64 PHE CB C 64 38.084 38.279 -0.195 1
1 754 . 12 1 1 A 64 64 PHE N N 64 123.270 124.737 -1.467 1
1 755 . 12 1 1 A 65 65 GLU H H 65 8.317 8.521 -0.204 1
1 756 . 12 1 1 A 65 65 GLU HA H 65 4.171 4.220 -0.049 1
1 761 . 12 1 1 A 65 65 GLU C C 65 177.913 178.279 -0.366 1
1 762 . 12 1 1 A 65 65 GLU CA C 65 57.524 59.459 -1.935 1
1 763 . 12 1 1 A 65 65 GLU CB C 65 29.440 29.672 -0.232 1
1 765 . 12 1 1 A 65 65 GLU N N 65 114.355 120.623 -6.268 1
1 766 . 12 1 1 A 66 66 THR H H 66 7.388 7.476 -0.088 1
1 767 . 12 1 1 A 66 66 THR HA H 66 4.396 4.574 -0.178 1
1 772 . 12 1 1 A 66 66 THR C C 66 174.662 174.816 -0.154 1
1 773 . 12 1 1 A 66 66 THR CA C 66 61.316 61.814 -0.498 1
1 774 . 12 1 1 A 66 66 THR CB C 66 69.711 70.716 -1.005 1
1 776 . 12 1 1 A 66 66 THR N N 66 106.424 106.205 0.219 1
1 777 . 12 1 1 A 67 67 LEU H H 67 6.677 7.151 -0.474 1
1 778 . 12 1 1 A 67 67 LEU HA H 67 4.350 4.173 0.177 1
1 788 . 12 1 1 A 67 67 LEU C C 67 176.647 177.161 -0.514 1
1 789 . 12 1 1 A 67 67 LEU CA C 67 54.104 55.661 -1.557 1
1 790 . 12 1 1 A 67 67 LEU CB C 67 43.365 42.102 1.263 1
1 794 . 12 1 1 A 67 67 LEU N N 67 120.589 124.590 -4.001 1
1 795 . 12 1 1 A 68 68 LYS H H 68 9.947 8.785 1.162 1
1 796 . 12 1 1 A 68 68 LYS HA H 68 4.387 4.404 -0.017 1
1 805 . 12 1 1 A 68 68 LYS C C 68 176.786 176.866 -0.080 1
1 806 . 12 1 1 A 68 68 LYS CA C 68 55.574 54.664 0.910 1
1 807 . 12 1 1 A 68 68 LYS CB C 68 31.897 31.867 0.030 1
1 811 . 12 1 1 A 68 68 LYS N N 68 123.363 122.288 1.075 1
1 812 . 12 1 1 A 69 69 PRO HA H 69 4.091 4.322 -0.231 1
1 819 . 12 1 1 A 69 69 PRO C C 69 178.646 178.611 0.035 1
1 820 . 12 1 1 A 69 69 PRO CA C 69 66.153 64.932 1.221 1
1 821 . 12 1 1 A 69 69 PRO CB C 69 31.985 32.000 -0.015 1
1 824 . 12 1 1 A 70 70 SER H H 70 8.490 8.318 0.172 1
1 825 . 12 1 1 A 70 70 SER HA H 70 4.231 4.235 -0.004 1
1 828 . 12 1 1 A 70 70 SER C C 70 177.784 176.552 1.232 1
1 829 . 12 1 1 A 70 70 SER CA C 70 60.787 61.516 -0.729 1
1 830 . 12 1 1 A 70 70 SER CB C 70 61.797 62.936 -1.139 1
1 831 . 12 1 1 A 70 70 SER N N 70 109.802 114.772 -4.970 1
1 832 . 12 1 1 A 71 71 THR H H 71 7.340 7.540 -0.200 1
1 833 . 12 1 1 A 71 71 THR HA H 71 3.735 3.975 -0.240 1
1 838 . 12 1 1 A 71 71 THR C C 71 176.072 176.425 -0.353 1
1 839 . 12 1 1 A 71 71 THR CA C 71 65.913 67.051 -1.138 1
1 840 . 12 1 1 A 71 71 THR CB C 71 67.239 68.710 -1.471 1
1 842 . 12 1 1 A 71 71 THR N N 71 122.295 119.306 2.989 1
1 843 . 12 1 1 A 72 72 LEU H H 72 7.839 8.130 -0.291 1
1 844 . 12 1 1 A 72 72 LEU HA H 72 3.713 4.004 -0.291 1
1 854 . 12 1 1 A 72 72 LEU C C 72 178.998 179.626 -0.628 1
1 855 . 12 1 1 A 72 72 LEU CA C 72 58.622 57.590 1.032 1
1 856 . 12 1 1 A 72 72 LEU CB C 72 40.911 40.844 0.067 1
1 859 . 12 1 1 A 72 72 LEU N N 72 120.539 120.585 -0.046 1
1 860 . 12 1 1 A 73 73 ARG H H 73 8.244 8.016 0.228 1
1 861 . 12 1 1 A 73 73 ARG HA H 73 4.100 3.969 0.131 1
1 869 . 12 1 1 A 73 73 ARG C C 73 178.935 178.859 0.076 1
1 870 . 12 1 1 A 73 73 ARG CA C 73 57.649 59.649 -2.000 1
1 871 . 12 1 1 A 73 73 ARG CB C 73 28.923 29.779 -0.856 1
1 874 . 12 1 1 A 73 73 ARG N N 73 115.473 119.558 -4.085 1
1 876 . 12 1 1 A 74 74 GLU H H 74 7.758 7.967 -0.209 1
1 877 . 12 1 1 A 74 74 GLU HA H 74 4.139 4.134 0.005 1
1 882 . 12 1 1 A 74 74 GLU C C 74 179.640 179.458 0.182 1
1 883 . 12 1 1 A 74 74 GLU CA C 74 59.519 59.687 -0.168 1
1 884 . 12 1 1 A 74 74 GLU CB C 74 28.670 28.661 0.009 1
1 886 . 12 1 1 A 74 74 GLU N N 74 122.400 119.843 2.557 1
1 887 . 12 1 1 A 75 75 LEU H H 75 8.387 7.707 0.680 1
1 888 . 12 1 1 A 75 75 LEU HA H 75 4.070 4.093 -0.023 1
1 898 . 12 1 1 A 75 75 LEU C C 75 178.024 178.668 -0.644 1
1 899 . 12 1 1 A 75 75 LEU CA C 75 58.147 58.221 -0.074 1
1 900 . 12 1 1 A 75 75 LEU CB C 75 42.673 41.011 1.662 1
1 904 . 12 1 1 A 75 75 LEU N N 75 119.699 120.974 -1.275 1
1 905 . 12 1 1 A 76 76 GLU H H 76 8.537 8.299 0.238 1
1 906 . 12 1 1 A 76 76 GLU HA H 76 3.751 3.865 -0.114 1
1 911 . 12 1 1 A 76 76 GLU C C 76 178.799 178.651 0.148 1
1 912 . 12 1 1 A 76 76 GLU CA C 76 59.871 60.148 -0.277 1
1 913 . 12 1 1 A 76 76 GLU CB C 76 30.145 29.270 0.875 1
1 915 . 12 1 1 A 76 76 GLU N N 76 120.074 119.409 0.665 1
1 916 . 12 1 1 A 77 77 ARG H H 77 8.032 7.820 0.212 1
1 917 . 12 1 1 A 77 77 ARG HA H 77 3.934 4.052 -0.118 1
1 924 . 12 1 1 A 77 77 ARG C C 77 179.220 178.599 0.621 1
1 925 . 12 1 1 A 77 77 ARG CA C 77 59.974 59.614 0.360 1
1 926 . 12 1 1 A 77 77 ARG CB C 77 30.413 29.930 0.483 1
1 929 . 12 1 1 A 77 77 ARG N N 77 120.100 118.784 1.316 1
1 930 . 12 1 1 A 78 78 TYR H H 78 8.084 7.732 0.352 1
1 931 . 12 1 1 A 78 78 TYR HA H 78 4.260 4.205 0.055 1
1 938 . 12 1 1 A 78 78 TYR C C 78 178.620 177.162 1.458 1
1 939 . 12 1 1 A 78 78 TYR CA C 78 61.507 61.214 0.293 1
1 940 . 12 1 1 A 78 78 TYR CB C 78 38.440 38.555 -0.115 1
1 945 . 12 1 1 A 78 78 TYR N N 78 120.327 121.159 -0.832 1
1 946 . 12 1 1 A 79 79 VAL H H 79 9.136 8.085 1.051 1
1 947 . 12 1 1 A 79 79 VAL HA H 79 3.161 3.580 -0.419 1
1 955 . 12 1 1 A 79 79 VAL C C 79 178.067 178.179 -0.112 1
1 956 . 12 1 1 A 79 79 VAL CA C 79 67.306 65.579 1.727 1
1 957 . 12 1 1 A 79 79 VAL CB C 79 31.505 31.061 0.444 1
1 960 . 12 1 1 A 79 79 VAL N N 79 120.576 118.905 1.671 1
1 961 . 12 1 1 A 80 80 THR H H 80 8.297 8.439 -0.142 1
1 962 . 12 1 1 A 80 80 THR HA H 80 3.721 3.875 -0.154 1
1 967 . 12 1 1 A 80 80 THR C C 80 176.623 176.501 0.122 1
1 968 . 12 1 1 A 80 80 THR CA C 80 66.823 66.241 0.582 1
1 969 . 12 1 1 A 80 80 THR CB C 80 68.508 68.667 -0.159 1
1 971 . 12 1 1 A 80 80 THR N N 80 115.107 117.347 -2.240 1
1 972 . 12 1 1 A 81 81 SER H H 81 7.537 7.925 -0.388 1
1 973 . 12 1 1 A 81 81 SER HA H 81 4.165 4.162 0.003 1
1 976 . 12 1 1 A 81 81 SER C C 81 176.196 176.970 -0.774 1
1 977 . 12 1 1 A 81 81 SER CA C 81 61.371 61.278 0.093 1
1 978 . 12 1 1 A 81 81 SER CB C 81 62.826 63.002 -0.176 1
1 979 . 12 1 1 A 81 81 SER N N 81 116.178 115.430 0.748 1
1 980 . 12 1 1 A 82 82 CYS H H 82 7.523 7.605 -0.082 1
1 981 . 12 1 1 A 82 82 CYS HA H 82 4.084 4.296 -0.212 1
1 984 . 12 1 1 A 82 82 CYS C C 82 176.363 175.567 0.796 1
1 985 . 12 1 1 A 82 82 CYS CA C 82 62.173 60.399 1.774 1
1 986 . 12 1 1 A 82 82 CYS CB C 82 27.872 27.422 0.450 1
1 987 . 12 1 1 A 82 82 CYS N N 82 118.207 118.419 -0.212 1
1 988 . 12 1 1 A 83 83 LEU H H 83 7.652 7.726 -0.074 1
1 989 . 12 1 1 A 83 83 LEU HA H 83 4.216 4.323 -0.107 1
1 999 . 12 1 1 A 83 83 LEU C C 83 177.349 176.621 0.728 1
1 1000 . 12 1 1 A 83 83 LEU CA C 83 55.521 54.936 0.585 1
1 1001 . 12 1 1 A 83 83 LEU CB C 83 42.550 42.901 -0.351 1
1 1005 . 12 1 1 A 83 83 LEU N N 83 118.141 117.959 0.182 1
1 1006 . 12 1 1 A 84 84 ARG H H 84 7.754 7.777 -0.023 1
1 1007 . 12 1 1 A 84 84 ARG HA H 84 4.153 4.638 -0.485 1
1 1014 . 12 1 1 A 84 84 ARG C C 84 176.300 175.327 0.973 1
1 1015 . 12 1 1 A 84 84 ARG CA C 84 56.829 54.526 2.303 1
1 1016 . 12 1 1 A 84 84 ARG CB C 84 29.926 31.788 -1.862 1
1 1019 . 12 1 1 A 84 84 ARG N N 84 118.881 117.709 1.172 1
1 1020 . 12 1 1 A 85 85 LYS H H 85 7.904 8.498 -0.594 1
1 1021 . 12 1 1 A 85 85 LYS HA H 85 4.178 4.425 -0.247 1
1 1030 . 12 1 1 A 85 85 LYS C C 85 176.549 175.237 1.312 1
1 1031 . 12 1 1 A 85 85 LYS CA C 85 56.514 55.927 0.587 1
1 1032 . 12 1 1 A 85 85 LYS CB C 85 32.931 30.971 1.960 1
1 1036 . 12 1 1 A 85 85 LYS N N 85 120.528 124.925 -4.397 1
1 1037 . 12 1 1 A 86 86 LYS H H 86 8.139 8.224 -0.085 1
1 1038 . 12 1 1 A 86 86 LYS HA H 86 4.194 4.906 -0.712 1
1 1047 . 12 1 1 A 86 86 LYS C C 86 176.395 175.384 1.011 1
1 1048 . 12 1 1 A 86 86 LYS CA C 86 56.244 55.149 1.095 1
1 1049 . 12 1 1 A 86 86 LYS CB C 86 32.971 35.159 -2.188 1
1 1053 . 12 1 1 A 86 86 LYS N N 86 121.979 126.202 -4.223 1
1 1054 . 12 1 1 A 87 87 ARG H H 87 8.242 8.666 -0.424 1
1 1055 . 12 1 1 A 87 87 ARG HA H 87 4.223 4.250 -0.027 1
1 1062 . 12 1 1 A 87 87 ARG C C 87 175.989 175.722 0.267 1
1 1063 . 12 1 1 A 87 87 ARG CA C 87 55.953 56.111 -0.158 1
1 1064 . 12 1 1 A 87 87 ARG CB C 87 31.019 30.402 0.617 1
1 1067 . 12 1 1 A 87 87 ARG N N 87 122.606 125.674 -3.068 1
1 1068 . 12 1 1 A 88 88 LYS H H 88 8.318 8.489 -0.171 1
1 1069 . 12 1 1 A 88 88 LYS HA H 88 4.506 4.463 0.043 1
1 1074 . 12 1 1 A 88 88 LYS C C 88 174.589 174.536 0.053 1
1 1075 . 12 1 1 A 88 88 LYS CA C 88 54.349 54.789 -0.440 1
1 1076 . 12 1 1 A 88 88 LYS CB C 88 32.576 31.442 1.134 1
1 1077 . 12 1 1 A 88 88 LYS N N 88 124.253 121.384 2.869 1
1 1078 . 12 1 1 A 89 89 PRO HA H 89 4.327 4.639 -0.312 1
1 1085 . 12 1 1 A 89 89 PRO C C 89 176.044 176.305 -0.261 1
1 1086 . 12 1 1 A 89 89 PRO CA C 89 63.489 62.688 0.801 1
1 1087 . 12 1 1 A 89 89 PRO CB C 89 31.921 32.249 -0.328 1
1 1 . 13 1 1 A 4 4 GLY C C 4 174.318 175.180 -0.862 1
1 2 . 13 1 1 A 4 4 GLY CA C 4 45.318 47.140 -1.822 1
1 3 . 13 1 1 A 5 5 SER H H 5 8.211 8.271 -0.060 1
1 4 . 13 1 1 A 5 5 SER HA H 5 4.460 4.142 0.318 1
1 7 . 13 1 1 A 5 5 SER C C 5 174.891 172.840 2.051 1
1 8 . 13 1 1 A 5 5 SER CA C 5 58.299 59.357 -1.058 1
1 9 . 13 1 1 A 5 5 SER CB C 5 64.052 61.639 2.413 1
1 10 . 13 1 1 A 5 5 SER N N 5 115.510 117.229 -1.719 1
1 11 . 13 1 1 A 6 6 SER H H 6 8.444 7.516 0.928 1
1 12 . 13 1 1 A 6 6 SER HA H 6 4.428 5.075 -0.647 1
1 15 . 13 1 1 A 6 6 SER C C 6 175.096 173.311 1.785 1
1 16 . 13 1 1 A 6 6 SER CA C 6 58.706 56.692 2.014 1
1 17 . 13 1 1 A 6 6 SER CB C 6 63.920 66.183 -2.263 1
1 18 . 13 1 1 A 6 6 SER N N 6 117.613 111.662 5.951 1
1 19 . 13 1 1 A 7 7 GLY H H 7 8.359 8.298 0.061 1
1 20 . 13 1 1 A 7 7 GLY HA2 H 7 3.916 4.151 -0.235 1
1 21 . 13 1 1 A 7 7 GLY HA3 H 7 3.916 4.151 -0.235 1
1 22 . 13 1 1 A 7 7 GLY C C 7 174.309 173.117 1.192 1
1 23 . 13 1 1 A 7 7 GLY CA C 7 45.399 46.165 -0.766 1
1 24 . 13 1 1 A 7 7 GLY N N 7 110.468 108.016 2.452 1
1 25 . 13 1 1 A 8 8 GLU H H 8 8.235 8.192 0.043 1
1 26 . 13 1 1 A 8 8 GLU HA H 8 4.248 4.447 -0.199 1
1 31 . 13 1 1 A 8 8 GLU C C 8 176.732 176.902 -0.170 1
1 32 . 13 1 1 A 8 8 GLU CA C 8 56.630 55.885 0.745 1
1 33 . 13 1 1 A 8 8 GLU CB C 8 30.243 30.217 0.026 1
1 35 . 13 1 1 A 8 8 GLU N N 8 120.254 121.619 -1.365 1
1 36 . 13 1 1 A 9 9 SER H H 9 8.327 9.084 -0.757 1
1 37 . 13 1 1 A 9 9 SER HA H 9 4.385 4.645 -0.260 1
1 40 . 13 1 1 A 9 9 SER C C 9 174.682 174.520 0.162 1
1 41 . 13 1 1 A 9 9 SER CA C 9 58.470 58.047 0.423 1
1 42 . 13 1 1 A 9 9 SER CB C 9 63.742 62.536 1.206 1
1 43 . 13 1 1 A 9 9 SER N N 9 116.213 122.256 -6.043 1
1 44 . 13 1 1 A 10 10 GLU H H 10 8.428 7.867 0.561 1
1 45 . 13 1 1 A 10 10 GLU HA H 10 4.232 3.866 0.366 1
1 50 . 13 1 1 A 10 10 GLU C C 10 176.769 179.240 -2.471 1
1 51 . 13 1 1 A 10 10 GLU CA C 10 56.887 59.426 -2.539 1
1 52 . 13 1 1 A 10 10 GLU CB C 10 30.267 29.374 0.893 1
1 54 . 13 1 1 A 10 10 GLU N N 10 122.618 123.015 -0.397 1
1 55 . 13 1 1 A 11 11 GLU H H 11 8.315 9.161 -0.846 1
1 56 . 13 1 1 A 11 11 GLU HA H 11 4.179 4.131 0.048 1
1 61 . 13 1 1 A 11 11 GLU C C 11 177.182 177.236 -0.054 1
1 62 . 13 1 1 A 11 11 GLU CA C 11 56.896 58.437 -1.541 1
1 63 . 13 1 1 A 11 11 GLU CB C 11 30.317 28.228 2.089 1
1 65 . 13 1 1 A 11 11 GLU N N 11 120.909 116.498 4.411 1
1 66 . 13 1 1 A 12 12 GLU H H 12 8.333 7.929 0.404 1
1 67 . 13 1 1 A 12 12 GLU HA H 12 4.100 4.346 -0.246 1
1 72 . 13 1 1 A 12 12 GLU C C 12 176.860 176.799 0.061 1
1 73 . 13 1 1 A 12 12 GLU CA C 12 57.495 56.941 0.554 1
1 74 . 13 1 1 A 12 12 GLU CB C 12 30.221 30.055 0.166 1
1 76 . 13 1 1 A 12 12 GLU N N 12 121.578 120.325 1.253 1
1 77 . 13 1 1 A 13 13 ASP H H 13 8.332 8.113 0.219 1
1 78 . 13 1 1 A 13 13 ASP HA H 13 4.468 4.798 -0.330 1
1 81 . 13 1 1 A 13 13 ASP C C 13 176.833 175.915 0.918 1
1 82 . 13 1 1 A 13 13 ASP CA C 13 54.921 53.204 1.717 1
1 83 . 13 1 1 A 13 13 ASP CB C 13 40.912 41.303 -0.391 1
1 84 . 13 1 1 A 13 13 ASP N N 13 120.147 119.920 0.227 1
1 85 . 13 1 1 A 14 14 LYS H H 14 8.014 7.471 0.543 1
1 86 . 13 1 1 A 14 14 LYS HA H 14 4.204 4.247 -0.043 1
1 95 . 13 1 1 A 14 14 LYS C C 14 176.568 176.063 0.505 1
1 96 . 13 1 1 A 14 14 LYS CA C 14 56.558 56.384 0.174 1
1 97 . 13 1 1 A 14 14 LYS CB C 14 32.598 33.035 -0.437 1
1 101 . 13 1 1 A 14 14 LYS N N 14 120.485 119.910 0.575 1
1 102 . 13 1 1 A 15 15 CYS H H 15 8.013 8.813 -0.800 1
1 103 . 13 1 1 A 15 15 CYS HA H 15 4.304 5.138 -0.834 1
1 106 . 13 1 1 A 15 15 CYS C C 15 173.801 173.822 -0.021 1
1 107 . 13 1 1 A 15 15 CYS CA C 15 58.337 57.647 0.690 1
1 108 . 13 1 1 A 15 15 CYS CB C 15 28.061 28.357 -0.296 1
1 109 . 13 1 1 A 15 15 CYS N N 15 118.099 124.265 -6.166 1
1 110 . 13 1 1 A 16 16 LYS H H 16 8.287 8.513 -0.226 1
1 111 . 13 1 1 A 16 16 LYS HA H 16 4.491 4.546 -0.055 1
1 120 . 13 1 1 A 16 16 LYS C C 16 175.117 174.574 0.543 1
1 121 . 13 1 1 A 16 16 LYS CA C 16 54.512 54.650 -0.138 1
1 122 . 13 1 1 A 16 16 LYS CB C 16 32.697 31.525 1.172 1
1 124 . 13 1 1 A 16 16 LYS N N 16 125.369 126.523 -1.154 1
1 125 . 13 1 1 A 17 17 PRO HA H 17 4.247 4.629 -0.382 1
1 132 . 13 1 1 A 17 17 PRO C C 17 176.956 175.430 1.526 1
1 133 . 13 1 1 A 17 17 PRO CA C 17 63.088 62.450 0.638 1
1 134 . 13 1 1 A 17 17 PRO CB C 17 32.244 32.771 -0.527 1
1 137 . 13 1 1 A 18 18 MET H H 18 8.516 8.304 0.212 1
1 138 . 13 1 1 A 18 18 MET HA H 18 4.488 5.072 -0.584 1
1 146 . 13 1 1 A 18 18 MET C C 18 176.759 175.678 1.081 1
1 147 . 13 1 1 A 18 18 MET CA C 18 56.169 54.761 1.408 1
1 148 . 13 1 1 A 18 18 MET CB C 18 35.531 35.283 0.248 1
1 151 . 13 1 1 A 18 18 MET N N 18 121.801 120.335 1.466 1
1 152 . 13 1 1 A 19 19 SER H H 19 9.100 9.231 -0.131 1
1 153 . 13 1 1 A 19 19 SER HA H 19 4.459 4.570 -0.111 1
1 156 . 13 1 1 A 19 19 SER C C 19 175.018 175.356 -0.338 1
1 157 . 13 1 1 A 19 19 SER CA C 19 56.894 58.795 -1.901 1
1 158 . 13 1 1 A 19 19 SER CB C 19 65.854 64.389 1.465 1
1 159 . 13 1 1 A 19 19 SER N N 19 119.212 120.255 -1.043 1
1 160 . 13 1 1 A 20 20 TYR H H 20 8.959 9.324 -0.365 1
1 161 . 13 1 1 A 20 20 TYR HA H 20 4.029 4.117 -0.088 1
1 168 . 13 1 1 A 20 20 TYR C C 20 177.960 177.341 0.619 1
1 169 . 13 1 1 A 20 20 TYR CA C 20 62.463 62.622 -0.159 1
1 170 . 13 1 1 A 20 20 TYR CB C 20 38.009 38.884 -0.875 1
1 175 . 13 1 1 A 20 20 TYR N N 20 121.218 124.335 -3.117 1
1 176 . 13 1 1 A 21 21 GLU H H 21 8.825 8.260 0.565 1
1 177 . 13 1 1 A 21 21 GLU HA H 21 3.811 3.600 0.211 1
1 182 . 13 1 1 A 21 21 GLU C C 21 179.481 179.052 0.429 1
1 183 . 13 1 1 A 21 21 GLU CA C 21 59.951 59.778 0.173 1
1 184 . 13 1 1 A 21 21 GLU CB C 21 28.823 29.040 -0.217 1
1 186 . 13 1 1 A 21 21 GLU N N 21 118.696 117.987 0.709 1
1 187 . 13 1 1 A 22 22 GLU H H 22 7.771 8.086 -0.315 1
1 188 . 13 1 1 A 22 22 GLU HA H 22 3.899 4.055 -0.156 1
1 193 . 13 1 1 A 22 22 GLU C C 22 179.680 179.093 0.587 1
1 194 . 13 1 1 A 22 22 GLU CA C 22 59.498 58.972 0.526 1
1 195 . 13 1 1 A 22 22 GLU CB C 22 30.385 29.529 0.856 1
1 197 . 13 1 1 A 22 22 GLU N N 22 120.141 121.027 -0.886 1
1 198 . 13 1 1 A 23 23 LYS H H 23 8.101 7.624 0.477 1
1 199 . 13 1 1 A 23 23 LYS HA H 23 3.662 3.779 -0.117 1
1 208 . 13 1 1 A 23 23 LYS C C 23 178.250 179.104 -0.854 1
1 209 . 13 1 1 A 23 23 LYS CA C 23 60.345 59.712 0.633 1
1 210 . 13 1 1 A 23 23 LYS CB C 23 32.611 32.064 0.547 1
1 214 . 13 1 1 A 23 23 LYS N N 23 120.594 119.327 1.267 1
1 215 . 13 1 1 A 24 24 ARG H H 24 8.030 7.656 0.374 1
1 216 . 13 1 1 A 24 24 ARG HA H 24 3.721 3.682 0.039 1
1 223 . 13 1 1 A 24 24 ARG C C 24 178.992 178.399 0.593 1
1 224 . 13 1 1 A 24 24 ARG CA C 24 59.055 59.407 -0.352 1
1 225 . 13 1 1 A 24 24 ARG CB C 24 29.623 29.849 -0.226 1
1 228 . 13 1 1 A 24 24 ARG N N 24 120.100 118.976 1.124 1
1 229 . 13 1 1 A 25 25 GLN H H 25 7.940 7.961 -0.021 1
1 230 . 13 1 1 A 25 25 GLN HA H 25 3.706 3.947 -0.241 1
1 237 . 13 1 1 A 25 25 GLN C C 25 177.078 177.896 -0.818 1
1 238 . 13 1 1 A 25 25 GLN CA C 25 58.104 58.607 -0.503 1
1 239 . 13 1 1 A 25 25 GLN CB C 25 28.294 28.091 0.203 1
1 241 . 13 1 1 A 25 25 GLN N N 25 118.586 119.443 -0.857 1
1 243 . 13 1 1 A 26 26 LEU H H 26 7.843 7.896 -0.053 1
1 244 . 13 1 1 A 26 26 LEU HA H 26 4.182 4.032 0.150 1
1 254 . 13 1 1 A 26 26 LEU C C 26 178.116 178.592 -0.476 1
1 255 . 13 1 1 A 26 26 LEU CA C 26 57.867 57.709 0.158 1
1 256 . 13 1 1 A 26 26 LEU CB C 26 41.167 41.249 -0.082 1
1 259 . 13 1 1 A 26 26 LEU N N 26 119.570 121.381 -1.811 1
1 260 . 13 1 1 A 27 27 SER H H 27 7.710 7.546 0.164 1
1 261 . 13 1 1 A 27 27 SER HA H 27 3.869 4.282 -0.413 1
1 264 . 13 1 1 A 27 27 SER C C 27 176.845 177.480 -0.635 1
1 265 . 13 1 1 A 27 27 SER CA C 27 61.478 61.372 0.106 1
1 266 . 13 1 1 A 27 27 SER CB C 27 62.828 62.813 0.015 1
1 267 . 13 1 1 A 27 27 SER N N 27 112.126 114.525 -2.399 1
1 268 . 13 1 1 A 28 28 LEU H H 28 7.613 7.979 -0.366 1
1 269 . 13 1 1 A 28 28 LEU HA H 28 3.954 3.874 0.080 1
1 279 . 13 1 1 A 28 28 LEU C C 28 180.044 178.894 1.150 1
1 280 . 13 1 1 A 28 28 LEU CA C 28 57.862 58.050 -0.188 1
1 281 . 13 1 1 A 28 28 LEU CB C 28 41.703 41.810 -0.107 1
1 285 . 13 1 1 A 28 28 LEU N N 28 120.774 121.982 -1.208 1
1 286 . 13 1 1 A 29 29 ASP H H 29 8.476 8.128 0.348 1
1 287 . 13 1 1 A 29 29 ASP HA H 29 4.236 4.511 -0.275 1
1 290 . 13 1 1 A 29 29 ASP C C 29 179.532 178.886 0.646 1
1 291 . 13 1 1 A 29 29 ASP CA C 29 57.618 57.440 0.178 1
1 292 . 13 1 1 A 29 29 ASP CB C 29 40.447 40.744 -0.297 1
1 293 . 13 1 1 A 29 29 ASP N N 29 120.971 118.426 2.545 1
1 294 . 13 1 1 A 30 30 ILE H H 30 8.558 8.189 0.369 1
1 295 . 13 1 1 A 30 30 ILE HA H 30 3.564 3.572 -0.008 1
1 305 . 13 1 1 A 30 30 ILE C C 30 178.098 177.843 0.255 1
1 306 . 13 1 1 A 30 30 ILE CA C 30 65.616 65.405 0.211 1
1 307 . 13 1 1 A 30 30 ILE CB C 30 37.697 37.993 -0.296 1
1 311 . 13 1 1 A 30 30 ILE N N 30 120.240 120.987 -0.747 1
1 312 . 13 1 1 A 31 31 ASN H H 31 7.350 8.398 -1.048 1
1 313 . 13 1 1 A 31 31 ASN HA H 31 4.560 4.463 0.097 1
1 318 . 13 1 1 A 31 31 ASN C C 31 175.952 177.674 -1.722 1
1 319 . 13 1 1 A 31 31 ASN CA C 31 54.997 56.758 -1.761 1
1 320 . 13 1 1 A 31 31 ASN CB C 31 38.769 37.746 1.023 1
1 321 . 13 1 1 A 31 31 ASN N N 31 115.285 117.358 -2.073 1
1 323 . 13 1 1 A 32 32 LYS H H 32 7.509 7.460 0.049 1
1 324 . 13 1 1 A 32 32 LYS HA H 32 4.286 4.346 -0.060 1
1 333 . 13 1 1 A 32 32 LYS C C 32 177.232 176.715 0.517 1
1 334 . 13 1 1 A 32 32 LYS CA C 32 56.330 57.213 -0.883 1
1 335 . 13 1 1 A 32 32 LYS CB C 32 33.570 32.640 0.930 1
1 339 . 13 1 1 A 32 32 LYS N N 32 117.496 117.174 0.322 1
1 340 . 13 1 1 A 33 33 LEU H H 33 7.455 7.255 0.200 1
1 341 . 13 1 1 A 33 33 LEU HA H 33 4.265 4.375 -0.110 1
1 351 . 13 1 1 A 33 33 LEU CA C 33 53.436 53.295 0.141 1
1 352 . 13 1 1 A 33 33 LEU CB C 33 41.464 40.723 0.741 1
1 356 . 13 1 1 A 33 33 LEU N N 33 120.501 120.982 -0.481 1
1 357 . 13 1 1 A 34 34 PRO HA H 34 4.561 4.567 -0.006 1
1 364 . 13 1 1 A 34 34 PRO C C 34 178.359 178.173 0.186 1
1 365 . 13 1 1 A 34 34 PRO CA C 34 62.251 62.541 -0.290 1
1 366 . 13 1 1 A 34 34 PRO CB C 34 32.489 32.745 -0.256 1
1 369 . 13 1 1 A 35 35 GLY H H 35 8.865 8.739 0.126 1
1 370 . 13 1 1 A 35 35 GLY HA2 H 35 3.709 3.831 -0.122 1
1 371 . 13 1 1 A 35 35 GLY HA3 H 35 4.005 3.837 0.168 1
1 372 . 13 1 1 A 35 35 GLY C C 35 176.845 175.762 1.083 1
1 373 . 13 1 1 A 35 35 GLY CA C 35 48.165 47.318 0.847 1
1 374 . 13 1 1 A 35 35 GLY N N 35 109.986 110.519 -0.533 1
1 375 . 13 1 1 A 36 36 GLU H H 36 9.360 8.433 0.927 1
1 376 . 13 1 1 A 36 36 GLU HA H 36 4.233 4.033 0.200 1
1 381 . 13 1 1 A 36 36 GLU C C 36 178.326 179.588 -1.262 1
1 382 . 13 1 1 A 36 36 GLU CA C 36 58.964 59.432 -0.468 1
1 383 . 13 1 1 A 36 36 GLU CB C 36 28.689 29.021 -0.332 1
1 385 . 13 1 1 A 36 36 GLU N N 36 119.485 121.378 -1.893 1
1 386 . 13 1 1 A 37 37 LYS H H 37 7.734 7.845 -0.111 1
1 387 . 13 1 1 A 37 37 LYS HA H 37 4.516 4.146 0.370 1
1 396 . 13 1 1 A 37 37 LYS C C 37 178.698 179.728 -1.030 1
1 397 . 13 1 1 A 37 37 LYS CA C 37 55.977 58.862 -2.885 1
1 398 . 13 1 1 A 37 37 LYS CB C 37 32.981 31.834 1.147 1
1 402 . 13 1 1 A 37 37 LYS N N 37 116.668 118.274 -1.606 1
1 403 . 13 1 1 A 38 38 LEU H H 38 7.882 8.305 -0.423 1
1 404 . 13 1 1 A 38 38 LEU HA H 38 4.103 4.051 0.052 1
1 414 . 13 1 1 A 38 38 LEU C C 38 179.042 178.824 0.218 1
1 415 . 13 1 1 A 38 38 LEU CA C 38 57.832 57.890 -0.058 1
1 416 . 13 1 1 A 38 38 LEU CB C 38 41.753 41.745 0.008 1
1 420 . 13 1 1 A 38 38 LEU N N 38 121.898 121.331 0.567 1
1 421 . 13 1 1 A 39 39 GLY H H 39 8.212 8.094 0.118 1
1 422 . 13 1 1 A 39 39 GLY HA2 H 39 3.720 4.025 -0.305 1
1 423 . 13 1 1 A 39 39 GLY HA3 H 39 3.853 4.035 -0.182 1
1 424 . 13 1 1 A 39 39 GLY C C 39 176.507 175.223 1.284 1
1 425 . 13 1 1 A 39 39 GLY CA C 39 47.218 46.580 0.638 1
1 426 . 13 1 1 A 39 39 GLY N N 39 106.042 106.269 -0.227 1
1 427 . 13 1 1 A 40 40 ARG H H 40 7.416 7.770 -0.354 1
1 428 . 13 1 1 A 40 40 ARG HA H 40 4.031 4.345 -0.314 1
1 435 . 13 1 1 A 40 40 ARG C C 40 177.974 178.757 -0.783 1
1 436 . 13 1 1 A 40 40 ARG CA C 40 57.460 58.245 -0.785 1
1 437 . 13 1 1 A 40 40 ARG CB C 40 29.051 30.115 -1.064 1
1 440 . 13 1 1 A 40 40 ARG N N 40 120.046 120.897 -0.851 1
1 441 . 13 1 1 A 41 41 VAL H H 41 7.417 7.850 -0.433 1
1 442 . 13 1 1 A 41 41 VAL HA H 41 3.285 3.716 -0.431 1
1 450 . 13 1 1 A 41 41 VAL C C 41 177.090 177.923 -0.833 1
1 451 . 13 1 1 A 41 41 VAL CA C 41 66.979 66.396 0.583 1
1 452 . 13 1 1 A 41 41 VAL CB C 41 31.059 31.613 -0.554 1
1 455 . 13 1 1 A 41 41 VAL N N 41 119.285 119.631 -0.346 1
1 456 . 13 1 1 A 42 42 VAL H H 42 7.493 8.274 -0.781 1
1 457 . 13 1 1 A 42 42 VAL HA H 42 3.395 3.595 -0.200 1
1 465 . 13 1 1 A 42 42 VAL C C 42 177.200 177.778 -0.578 1
1 466 . 13 1 1 A 42 42 VAL CA C 42 66.764 65.387 1.377 1
1 467 . 13 1 1 A 42 42 VAL CB C 42 31.296 30.992 0.304 1
1 470 . 13 1 1 A 42 42 VAL N N 42 116.606 119.770 -3.164 1
1 471 . 13 1 1 A 43 43 HIS H H 43 7.602 7.580 0.022 1
1 472 . 13 1 1 A 43 43 HIS HA H 43 4.264 4.296 -0.032 1
1 477 . 13 1 1 A 43 43 HIS C C 43 178.854 177.819 1.035 1
1 478 . 13 1 1 A 43 43 HIS CA C 43 59.824 59.631 0.193 1
1 479 . 13 1 1 A 43 43 HIS CB C 43 30.605 29.856 0.749 1
1 482 . 13 1 1 A 43 43 HIS N N 43 118.867 119.672 -0.805 1
1 483 . 13 1 1 A 44 44 ILE H H 44 8.344 7.969 0.375 1
1 484 . 13 1 1 A 44 44 ILE HA H 44 3.375 3.629 -0.254 1
1 494 . 13 1 1 A 44 44 ILE C C 44 178.054 177.882 0.172 1
1 495 . 13 1 1 A 44 44 ILE CA C 44 65.922 64.463 1.459 1
1 496 . 13 1 1 A 44 44 ILE CB C 44 37.950 37.694 0.256 1
1 500 . 13 1 1 A 44 44 ILE N N 44 121.530 119.926 1.604 1
1 501 . 13 1 1 A 45 45 ILE H H 45 7.604 7.751 -0.147 1
1 502 . 13 1 1 A 45 45 ILE HA H 45 3.311 3.541 -0.230 1
1 512 . 13 1 1 A 45 45 ILE C C 45 177.378 177.948 -0.570 1
1 513 . 13 1 1 A 45 45 ILE CA C 45 66.577 65.249 1.328 1
1 514 . 13 1 1 A 45 45 ILE CB C 45 38.168 37.511 0.657 1
1 518 . 13 1 1 A 45 45 ILE N N 45 117.572 120.784 -3.212 1
1 519 . 13 1 1 A 46 46 GLN H H 46 8.626 8.058 0.568 1
1 520 . 13 1 1 A 46 46 GLN HA H 46 3.719 4.012 -0.293 1
1 527 . 13 1 1 A 46 46 GLN C C 46 177.483 177.298 0.185 1
1 528 . 13 1 1 A 46 46 GLN CA C 46 59.443 58.495 0.948 1
1 529 . 13 1 1 A 46 46 GLN CB C 46 28.832 28.373 0.459 1
1 531 . 13 1 1 A 46 46 GLN N N 46 115.916 118.913 -2.997 1
1 533 . 13 1 1 A 47 47 SER H H 47 7.862 7.704 0.158 1
1 534 . 13 1 1 A 47 47 SER HA H 47 4.064 4.303 -0.239 1
1 537 . 13 1 1 A 47 47 SER C C 47 175.615 175.198 0.417 1
1 538 . 13 1 1 A 47 47 SER CA C 47 60.602 60.292 0.310 1
1 539 . 13 1 1 A 47 47 SER CB C 47 63.313 62.894 0.419 1
1 540 . 13 1 1 A 47 47 SER N N 47 110.902 115.261 -4.359 1
1 541 . 13 1 1 A 48 48 ARG H H 48 7.362 8.108 -0.746 1
1 542 . 13 1 1 A 48 48 ARG HA H 48 4.306 4.433 -0.127 1
1 549 . 13 1 1 A 48 48 ARG C C 48 176.365 176.265 0.100 1
1 550 . 13 1 1 A 48 48 ARG CA C 48 55.992 56.500 -0.508 1
1 551 . 13 1 1 A 48 48 ARG CB C 48 33.000 31.927 1.073 1
1 554 . 13 1 1 A 48 48 ARG N N 48 118.403 118.410 -0.007 1
1 555 . 13 1 1 A 49 49 GLU H H 49 7.714 7.843 -0.129 1
1 556 . 13 1 1 A 49 49 GLU HA H 49 4.806 4.799 0.007 1
1 561 . 13 1 1 A 49 49 GLU C C 49 174.213 174.641 -0.428 1
1 562 . 13 1 1 A 49 49 GLU CA C 49 52.903 54.124 -1.221 1
1 563 . 13 1 1 A 49 49 GLU CB C 49 28.835 30.162 -1.327 1
1 565 . 13 1 1 A 49 49 GLU N N 49 118.387 118.987 -0.600 1
1 566 . 13 1 1 A 50 50 PRO HA H 50 4.273 4.276 -0.003 1
1 573 . 13 1 1 A 50 50 PRO C C 50 178.412 178.179 0.233 1
1 574 . 13 1 1 A 50 50 PRO CA C 50 64.641 65.204 -0.563 1
1 575 . 13 1 1 A 50 50 PRO CB C 50 32.045 32.162 -0.117 1
1 578 . 13 1 1 A 51 51 SER H H 51 8.290 8.326 -0.036 1
1 579 . 13 1 1 A 51 51 SER HA H 51 4.271 4.262 0.009 1
1 582 . 13 1 1 A 51 51 SER C C 51 175.130 175.671 -0.541 1
1 583 . 13 1 1 A 51 51 SER CA C 51 59.824 61.240 -1.416 1
1 584 . 13 1 1 A 51 51 SER CB C 51 63.071 63.025 0.046 1
1 585 . 13 1 1 A 51 51 SER N N 51 112.214 113.537 -1.323 1
1 586 . 13 1 1 A 52 52 LEU H H 52 7.882 7.450 0.432 1
1 587 . 13 1 1 A 52 52 LEU HA H 52 4.479 4.292 0.187 1
1 597 . 13 1 1 A 52 52 LEU C C 52 177.843 176.576 1.267 1
1 598 . 13 1 1 A 52 52 LEU CA C 52 54.734 54.546 0.188 1
1 599 . 13 1 1 A 52 52 LEU CB C 52 42.500 41.474 1.026 1
1 603 . 13 1 1 A 52 52 LEU N N 52 121.800 118.426 3.374 1
1 604 . 13 1 1 A 53 53 LYS H H 53 7.638 7.095 0.543 1
1 605 . 13 1 1 A 53 53 LYS HA H 53 4.022 4.322 -0.300 1
1 614 . 13 1 1 A 53 53 LYS C C 53 176.270 176.233 0.037 1
1 615 . 13 1 1 A 53 53 LYS CA C 53 58.288 56.509 1.779 1
1 616 . 13 1 1 A 53 53 LYS CB C 53 32.924 33.072 -0.148 1
1 620 . 13 1 1 A 53 53 LYS N N 53 121.559 119.113 2.446 1
1 621 . 13 1 1 A 54 54 ASN H H 54 8.266 8.898 -0.632 1
1 622 . 13 1 1 A 54 54 ASN HA H 54 4.732 4.325 0.407 1
1 627 . 13 1 1 A 54 54 ASN C C 54 175.097 174.747 0.350 1
1 628 . 13 1 1 A 54 54 ASN CA C 54 53.020 55.000 -1.980 1
1 629 . 13 1 1 A 54 54 ASN CB C 54 38.863 36.555 2.308 1
1 630 . 13 1 1 A 54 54 ASN N N 54 116.053 115.611 0.442 1
1 632 . 13 1 1 A 55 55 SER H H 55 7.692 7.411 0.281 1
1 633 . 13 1 1 A 55 55 SER HA H 55 4.288 4.527 -0.239 1
1 636 . 13 1 1 A 55 55 SER C C 55 173.418 173.832 -0.414 1
1 637 . 13 1 1 A 55 55 SER CA C 55 58.900 59.005 -0.105 1
1 638 . 13 1 1 A 55 55 SER CB C 55 63.914 64.674 -0.760 1
1 639 . 13 1 1 A 55 55 SER N N 55 115.901 116.139 -0.238 1
1 640 . 13 1 1 A 56 56 ASN H H 56 8.574 8.451 0.123 1
1 641 . 13 1 1 A 56 56 ASN HA H 56 4.857 4.949 -0.092 1
1 646 . 13 1 1 A 56 56 ASN C C 56 174.843 175.505 -0.662 1
1 647 . 13 1 1 A 56 56 ASN CA C 56 50.974 51.224 -0.250 1
1 648 . 13 1 1 A 56 56 ASN CB C 56 38.744 39.419 -0.675 1
1 649 . 13 1 1 A 56 56 ASN N N 56 122.245 121.743 0.502 1
1 651 . 13 1 1 A 57 57 PRO HA H 57 4.079 4.178 -0.099 1
1 658 . 13 1 1 A 57 57 PRO C C 57 176.856 177.720 -0.864 1
1 659 . 13 1 1 A 57 57 PRO CA C 57 64.733 65.248 -0.515 1
1 660 . 13 1 1 A 57 57 PRO CB C 57 31.968 31.739 0.229 1
1 663 . 13 1 1 A 58 58 ASP H H 58 8.024 8.515 -0.491 1
1 664 . 13 1 1 A 58 58 ASP HA H 58 4.445 4.439 0.006 1
1 667 . 13 1 1 A 58 58 ASP C C 58 176.369 177.062 -0.693 1
1 668 . 13 1 1 A 58 58 ASP CA C 58 55.247 56.195 -0.948 1
1 669 . 13 1 1 A 58 58 ASP CB C 58 40.828 40.217 0.611 1
1 670 . 13 1 1 A 58 58 ASP N N 58 114.883 116.534 -1.651 1
1 671 . 13 1 1 A 59 59 GLU H H 59 7.663 7.614 0.049 1
1 672 . 13 1 1 A 59 59 GLU HA H 59 4.341 4.406 -0.065 1
1 677 . 13 1 1 A 59 59 GLU C C 59 175.690 176.429 -0.739 1
1 678 . 13 1 1 A 59 59 GLU CA C 59 55.425 56.433 -1.008 1
1 679 . 13 1 1 A 59 59 GLU CB C 59 31.140 30.191 0.949 1
1 681 . 13 1 1 A 59 59 GLU N N 59 117.763 116.366 1.397 1
1 682 . 13 1 1 A 60 60 ILE H H 60 7.457 7.363 0.094 1
1 683 . 13 1 1 A 60 60 ILE HA H 60 3.962 4.393 -0.431 1
1 693 . 13 1 1 A 60 60 ILE C C 60 174.951 174.796 0.155 1
1 694 . 13 1 1 A 60 60 ILE CA C 60 61.416 59.847 1.569 1
1 695 . 13 1 1 A 60 60 ILE CB C 60 38.693 40.680 -1.987 1
1 699 . 13 1 1 A 60 60 ILE N N 60 120.600 120.682 -0.082 1
1 700 . 13 1 1 A 61 61 GLU H H 61 8.267 8.812 -0.545 1
1 701 . 13 1 1 A 61 61 GLU HA H 61 4.333 5.025 -0.692 1
1 706 . 13 1 1 A 61 61 GLU C C 61 175.576 175.127 0.449 1
1 707 . 13 1 1 A 61 61 GLU CA C 61 55.085 54.334 0.751 1
1 708 . 13 1 1 A 61 61 GLU CB C 61 30.717 33.365 -2.648 1
1 710 . 13 1 1 A 61 61 GLU N N 61 126.935 123.171 3.764 1
1 711 . 13 1 1 A 62 62 ILE H H 62 8.425 8.806 -0.381 1
1 712 . 13 1 1 A 62 62 ILE HA H 62 3.570 4.421 -0.851 1
1 722 . 13 1 1 A 62 62 ILE C C 62 174.594 174.171 0.423 1
1 723 . 13 1 1 A 62 62 ILE CA C 62 61.570 60.310 1.260 1
1 724 . 13 1 1 A 62 62 ILE CB C 62 38.187 37.863 0.324 1
1 728 . 13 1 1 A 62 62 ILE N N 62 124.857 123.328 1.529 1
1 729 . 13 1 1 A 63 63 ASP H H 63 8.459 8.934 -0.475 1
1 730 . 13 1 1 A 63 63 ASP HA H 63 4.691 5.080 -0.389 1
1 733 . 13 1 1 A 63 63 ASP C C 63 177.284 176.150 1.134 1
1 734 . 13 1 1 A 63 63 ASP CA C 63 52.272 52.863 -0.591 1
1 735 . 13 1 1 A 63 63 ASP CB C 63 41.160 41.479 -0.319 1
1 736 . 13 1 1 A 63 63 ASP N N 63 126.597 127.739 -1.142 1
1 737 . 13 1 1 A 64 64 PHE H H 64 8.609 8.270 0.339 1
1 738 . 13 1 1 A 64 64 PHE HA H 64 4.016 4.402 -0.386 1
1 746 . 13 1 1 A 64 64 PHE C C 64 177.010 177.016 -0.006 1
1 747 . 13 1 1 A 64 64 PHE CA C 64 59.795 60.214 -0.419 1
1 748 . 13 1 1 A 64 64 PHE CB C 64 38.084 37.871 0.213 1
1 754 . 13 1 1 A 64 64 PHE N N 64 123.270 122.388 0.882 1
1 755 . 13 1 1 A 65 65 GLU H H 65 8.317 8.012 0.305 1
1 756 . 13 1 1 A 65 65 GLU HA H 65 4.171 4.441 -0.270 1
1 761 . 13 1 1 A 65 65 GLU C C 65 177.913 177.993 -0.080 1
1 762 . 13 1 1 A 65 65 GLU CA C 65 57.524 57.540 -0.016 1
1 763 . 13 1 1 A 65 65 GLU CB C 65 29.440 30.681 -1.241 1
1 765 . 13 1 1 A 65 65 GLU N N 65 114.355 119.756 -5.401 1
1 766 . 13 1 1 A 66 66 THR H H 66 7.388 7.380 0.008 1
1 767 . 13 1 1 A 66 66 THR HA H 66 4.396 4.566 -0.170 1
1 772 . 13 1 1 A 66 66 THR C C 66 174.662 174.708 -0.046 1
1 773 . 13 1 1 A 66 66 THR CA C 66 61.316 61.933 -0.617 1
1 774 . 13 1 1 A 66 66 THR CB C 66 69.711 70.716 -1.005 1
1 776 . 13 1 1 A 66 66 THR N N 66 106.424 107.432 -1.008 1
1 777 . 13 1 1 A 67 67 LEU H H 67 6.677 7.337 -0.660 1
1 778 . 13 1 1 A 67 67 LEU HA H 67 4.350 4.162 0.188 1
1 788 . 13 1 1 A 67 67 LEU C C 67 176.647 177.078 -0.431 1
1 789 . 13 1 1 A 67 67 LEU CA C 67 54.104 55.355 -1.251 1
1 790 . 13 1 1 A 67 67 LEU CB C 67 43.365 42.318 1.047 1
1 794 . 13 1 1 A 67 67 LEU N N 67 120.589 124.326 -3.737 1
1 795 . 13 1 1 A 68 68 LYS H H 68 9.947 8.765 1.182 1
1 796 . 13 1 1 A 68 68 LYS HA H 68 4.387 4.413 -0.026 1
1 805 . 13 1 1 A 68 68 LYS C C 68 176.786 176.784 0.002 1
1 806 . 13 1 1 A 68 68 LYS CA C 68 55.574 54.512 1.062 1
1 807 . 13 1 1 A 68 68 LYS CB C 68 31.897 31.852 0.045 1
1 811 . 13 1 1 A 68 68 LYS N N 68 123.363 122.026 1.337 1
1 812 . 13 1 1 A 69 69 PRO HA H 69 4.091 4.375 -0.284 1
1 819 . 13 1 1 A 69 69 PRO C C 69 178.646 178.001 0.645 1
1 820 . 13 1 1 A 69 69 PRO CA C 69 66.153 64.977 1.176 1
1 821 . 13 1 1 A 69 69 PRO CB C 69 31.985 32.124 -0.139 1
1 824 . 13 1 1 A 70 70 SER H H 70 8.490 8.210 0.280 1
1 825 . 13 1 1 A 70 70 SER HA H 70 4.231 4.239 -0.008 1
1 828 . 13 1 1 A 70 70 SER C C 70 177.784 177.299 0.485 1
1 829 . 13 1 1 A 70 70 SER CA C 70 60.787 61.134 -0.347 1
1 830 . 13 1 1 A 70 70 SER CB C 70 61.797 62.626 -0.829 1
1 831 . 13 1 1 A 70 70 SER N N 70 109.802 112.737 -2.935 1
1 832 . 13 1 1 A 71 71 THR H H 71 7.340 7.958 -0.618 1
1 833 . 13 1 1 A 71 71 THR HA H 71 3.735 3.969 -0.234 1
1 838 . 13 1 1 A 71 71 THR C C 71 176.072 176.554 -0.482 1
1 839 . 13 1 1 A 71 71 THR CA C 71 65.913 66.534 -0.621 1
1 840 . 13 1 1 A 71 71 THR CB C 71 67.239 68.645 -1.406 1
1 842 . 13 1 1 A 71 71 THR N N 71 122.295 117.355 4.940 1
1 843 . 13 1 1 A 72 72 LEU H H 72 7.839 8.175 -0.336 1
1 844 . 13 1 1 A 72 72 LEU HA H 72 3.713 4.019 -0.306 1
1 854 . 13 1 1 A 72 72 LEU C C 72 178.998 179.229 -0.231 1
1 855 . 13 1 1 A 72 72 LEU CA C 72 58.622 57.953 0.669 1
1 856 . 13 1 1 A 72 72 LEU CB C 72 40.911 41.377 -0.466 1
1 859 . 13 1 1 A 72 72 LEU N N 72 120.539 120.308 0.231 1
1 860 . 13 1 1 A 73 73 ARG H H 73 8.244 8.199 0.045 1
1 861 . 13 1 1 A 73 73 ARG HA H 73 4.100 3.891 0.209 1
1 869 . 13 1 1 A 73 73 ARG C C 73 178.935 178.890 0.045 1
1 870 . 13 1 1 A 73 73 ARG CA C 73 57.649 59.754 -2.105 1
1 871 . 13 1 1 A 73 73 ARG CB C 73 28.923 29.956 -1.033 1
1 874 . 13 1 1 A 73 73 ARG N N 73 115.473 120.509 -5.036 1
1 876 . 13 1 1 A 74 74 GLU H H 74 7.758 7.858 -0.100 1
1 877 . 13 1 1 A 74 74 GLU HA H 74 4.139 4.154 -0.015 1
1 882 . 13 1 1 A 74 74 GLU C C 74 179.640 179.260 0.380 1
1 883 . 13 1 1 A 74 74 GLU CA C 74 59.519 59.497 0.022 1
1 884 . 13 1 1 A 74 74 GLU CB C 74 28.670 29.253 -0.583 1
1 886 . 13 1 1 A 74 74 GLU N N 74 122.400 119.091 3.309 1
1 887 . 13 1 1 A 75 75 LEU H H 75 8.387 7.723 0.664 1
1 888 . 13 1 1 A 75 75 LEU HA H 75 4.070 4.115 -0.045 1
1 898 . 13 1 1 A 75 75 LEU C C 75 178.024 178.907 -0.883 1
1 899 . 13 1 1 A 75 75 LEU CA C 75 58.147 58.211 -0.064 1
1 900 . 13 1 1 A 75 75 LEU CB C 75 42.673 41.141 1.532 1
1 904 . 13 1 1 A 75 75 LEU N N 75 119.699 120.763 -1.064 1
1 905 . 13 1 1 A 76 76 GLU H H 76 8.537 8.695 -0.158 1
1 906 . 13 1 1 A 76 76 GLU HA H 76 3.751 3.914 -0.163 1
1 911 . 13 1 1 A 76 76 GLU C C 76 178.799 178.815 -0.016 1
1 912 . 13 1 1 A 76 76 GLU CA C 76 59.871 60.075 -0.204 1
1 913 . 13 1 1 A 76 76 GLU CB C 76 30.145 29.372 0.773 1
1 915 . 13 1 1 A 76 76 GLU N N 76 120.074 119.116 0.958 1
1 916 . 13 1 1 A 77 77 ARG H H 77 8.032 7.784 0.248 1
1 917 . 13 1 1 A 77 77 ARG HA H 77 3.934 3.994 -0.060 1
1 924 . 13 1 1 A 77 77 ARG C C 77 179.220 177.926 1.294 1
1 925 . 13 1 1 A 77 77 ARG CA C 77 59.974 59.032 0.942 1
1 926 . 13 1 1 A 77 77 ARG CB C 77 30.413 29.923 0.490 1
1 929 . 13 1 1 A 77 77 ARG N N 77 120.100 119.889 0.211 1
1 930 . 13 1 1 A 78 78 TYR H H 78 8.084 8.043 0.041 1
1 931 . 13 1 1 A 78 78 TYR HA H 78 4.260 4.206 0.054 1
1 938 . 13 1 1 A 78 78 TYR C C 78 178.620 177.423 1.197 1
1 939 . 13 1 1 A 78 78 TYR CA C 78 61.507 61.280 0.227 1
1 940 . 13 1 1 A 78 78 TYR CB C 78 38.440 38.632 -0.192 1
1 945 . 13 1 1 A 78 78 TYR N N 78 120.327 120.749 -0.422 1
1 946 . 13 1 1 A 79 79 VAL H H 79 9.136 8.278 0.858 1
1 947 . 13 1 1 A 79 79 VAL HA H 79 3.161 3.558 -0.397 1
1 955 . 13 1 1 A 79 79 VAL C C 79 178.067 178.417 -0.350 1
1 956 . 13 1 1 A 79 79 VAL CA C 79 67.306 65.430 1.876 1
1 957 . 13 1 1 A 79 79 VAL CB C 79 31.505 31.573 -0.068 1
1 960 . 13 1 1 A 79 79 VAL N N 79 120.576 118.948 1.628 1
1 961 . 13 1 1 A 80 80 THR H H 80 8.297 8.406 -0.109 1
1 962 . 13 1 1 A 80 80 THR HA H 80 3.721 3.950 -0.229 1
1 967 . 13 1 1 A 80 80 THR C C 80 176.623 176.283 0.340 1
1 968 . 13 1 1 A 80 80 THR CA C 80 66.823 66.003 0.820 1
1 969 . 13 1 1 A 80 80 THR CB C 80 68.508 68.590 -0.082 1
1 971 . 13 1 1 A 80 80 THR N N 80 115.107 117.226 -2.119 1
1 972 . 13 1 1 A 81 81 SER H H 81 7.537 7.948 -0.411 1
1 973 . 13 1 1 A 81 81 SER HA H 81 4.165 4.173 -0.008 1
1 976 . 13 1 1 A 81 81 SER C C 81 176.196 177.325 -1.129 1
1 977 . 13 1 1 A 81 81 SER CA C 81 61.371 61.403 -0.032 1
1 978 . 13 1 1 A 81 81 SER CB C 81 62.826 62.699 0.127 1
1 979 . 13 1 1 A 81 81 SER N N 81 116.178 116.918 -0.740 1
1 980 . 13 1 1 A 82 82 CYS H H 82 7.523 8.175 -0.652 1
1 981 . 13 1 1 A 82 82 CYS HA H 82 4.084 4.084 0.000 1
1 984 . 13 1 1 A 82 82 CYS C C 82 176.363 176.818 -0.455 1
1 985 . 13 1 1 A 82 82 CYS CA C 82 62.173 63.500 -1.327 1
1 986 . 13 1 1 A 82 82 CYS CB C 82 27.872 27.977 -0.105 1
1 987 . 13 1 1 A 82 82 CYS N N 82 118.207 119.043 -0.836 1
1 988 . 13 1 1 A 83 83 LEU H H 83 7.652 8.193 -0.541 1
1 989 . 13 1 1 A 83 83 LEU HA H 83 4.216 4.107 0.109 1
1 999 . 13 1 1 A 83 83 LEU C C 83 177.349 176.826 0.523 1
1 1000 . 13 1 1 A 83 83 LEU CA C 83 55.521 56.875 -1.354 1
1 1001 . 13 1 1 A 83 83 LEU CB C 83 42.550 42.002 0.548 1
1 1005 . 13 1 1 A 83 83 LEU N N 83 118.141 120.031 -1.890 1
1 1006 . 13 1 1 A 84 84 ARG H H 84 7.754 8.029 -0.275 1
1 1007 . 13 1 1 A 84 84 ARG HA H 84 4.153 4.209 -0.056 1
1 1014 . 13 1 1 A 84 84 ARG C C 84 176.300 176.508 -0.208 1
1 1015 . 13 1 1 A 84 84 ARG CA C 84 56.829 57.299 -0.470 1
1 1016 . 13 1 1 A 84 84 ARG CB C 84 29.926 29.572 0.354 1
1 1019 . 13 1 1 A 84 84 ARG N N 84 118.881 119.256 -0.375 1
1 1020 . 13 1 1 A 85 85 LYS H H 85 7.904 7.764 0.140 1
1 1021 . 13 1 1 A 85 85 LYS HA H 85 4.178 4.342 -0.164 1
1 1030 . 13 1 1 A 85 85 LYS C C 85 176.549 175.642 0.907 1
1 1031 . 13 1 1 A 85 85 LYS CA C 85 56.514 55.365 1.149 1
1 1032 . 13 1 1 A 85 85 LYS CB C 85 32.931 30.989 1.942 1
1 1036 . 13 1 1 A 85 85 LYS N N 85 120.528 119.418 1.110 1
1 1037 . 13 1 1 A 86 86 LYS H H 86 8.139 7.519 0.620 1
1 1038 . 13 1 1 A 86 86 LYS HA H 86 4.194 4.941 -0.747 1
1 1047 . 13 1 1 A 86 86 LYS C C 86 176.395 175.152 1.243 1
1 1048 . 13 1 1 A 86 86 LYS CA C 86 56.244 55.170 1.074 1
1 1049 . 13 1 1 A 86 86 LYS CB C 86 32.971 34.763 -1.792 1
1 1053 . 13 1 1 A 86 86 LYS N N 86 121.979 123.287 -1.308 1
1 1054 . 13 1 1 A 87 87 ARG H H 87 8.242 8.605 -0.363 1
1 1055 . 13 1 1 A 87 87 ARG HA H 87 4.223 4.398 -0.175 1
1 1062 . 13 1 1 A 87 87 ARG C C 87 175.989 176.540 -0.551 1
1 1063 . 13 1 1 A 87 87 ARG CA C 87 55.953 56.399 -0.446 1
1 1064 . 13 1 1 A 87 87 ARG CB C 87 31.019 30.684 0.335 1
1 1067 . 13 1 1 A 87 87 ARG N N 87 122.606 129.039 -6.433 1
1 1068 . 13 1 1 A 88 88 LYS H H 88 8.318 8.541 -0.223 1
1 1069 . 13 1 1 A 88 88 LYS HA H 88 4.506 4.396 0.110 1
1 1074 . 13 1 1 A 88 88 LYS C C 88 174.589 174.509 0.080 1
1 1075 . 13 1 1 A 88 88 LYS CA C 88 54.349 54.835 -0.486 1
1 1076 . 13 1 1 A 88 88 LYS CB C 88 32.576 31.383 1.193 1
1 1077 . 13 1 1 A 88 88 LYS N N 88 124.253 125.163 -0.910 1
1 1078 . 13 1 1 A 89 89 PRO HA H 89 4.327 4.473 -0.146 1
1 1085 . 13 1 1 A 89 89 PRO C C 89 176.044 176.405 -0.361 1
1 1086 . 13 1 1 A 89 89 PRO CA C 89 63.489 62.403 1.086 1
1 1087 . 13 1 1 A 89 89 PRO CB C 89 31.921 32.656 -0.735 1
1 1 . 14 1 1 A 4 4 GLY C C 4 174.318 171.234 3.084 1
1 2 . 14 1 1 A 4 4 GLY CA C 4 45.318 44.447 0.871 1
1 3 . 14 1 1 A 5 5 SER H H 5 8.211 8.284 -0.073 1
1 4 . 14 1 1 A 5 5 SER HA H 5 4.460 4.868 -0.408 1
1 7 . 14 1 1 A 5 5 SER C C 5 174.891 173.011 1.880 1
1 8 . 14 1 1 A 5 5 SER CA C 5 58.299 56.059 2.240 1
1 9 . 14 1 1 A 5 5 SER CB C 5 64.052 64.912 -0.860 1
1 10 . 14 1 1 A 5 5 SER N N 5 115.510 114.978 0.532 1
1 11 . 14 1 1 A 6 6 SER H H 6 8.444 8.336 0.108 1
1 12 . 14 1 1 A 6 6 SER HA H 6 4.428 4.654 -0.226 1
1 15 . 14 1 1 A 6 6 SER C C 6 175.096 174.405 0.691 1
1 16 . 14 1 1 A 6 6 SER CA C 6 58.706 58.393 0.313 1
1 17 . 14 1 1 A 6 6 SER CB C 6 63.920 65.309 -1.389 1
1 18 . 14 1 1 A 6 6 SER N N 6 117.613 118.148 -0.535 1
1 19 . 14 1 1 A 7 7 GLY H H 7 8.359 7.992 0.367 1
1 20 . 14 1 1 A 7 7 GLY HA2 H 7 3.916 3.967 -0.051 1
1 21 . 14 1 1 A 7 7 GLY HA3 H 7 3.916 3.967 -0.051 1
1 22 . 14 1 1 A 7 7 GLY C C 7 174.309 175.526 -1.217 1
1 23 . 14 1 1 A 7 7 GLY CA C 7 45.399 46.542 -1.143 1
1 24 . 14 1 1 A 7 7 GLY N N 7 110.468 109.111 1.357 1
1 25 . 14 1 1 A 8 8 GLU H H 8 8.235 8.769 -0.534 1
1 26 . 14 1 1 A 8 8 GLU HA H 8 4.248 4.044 0.204 1
1 31 . 14 1 1 A 8 8 GLU C C 8 176.732 176.964 -0.232 1
1 32 . 14 1 1 A 8 8 GLU CA C 8 56.630 59.677 -3.047 1
1 33 . 14 1 1 A 8 8 GLU CB C 8 30.243 29.870 0.373 1
1 35 . 14 1 1 A 8 8 GLU N N 8 120.254 126.404 -6.150 1
1 36 . 14 1 1 A 9 9 SER H H 9 8.327 8.192 0.135 1
1 37 . 14 1 1 A 9 9 SER HA H 9 4.385 4.157 0.228 1
1 40 . 14 1 1 A 9 9 SER C C 9 174.682 174.878 -0.196 1
1 41 . 14 1 1 A 9 9 SER CA C 9 58.470 59.428 -0.958 1
1 42 . 14 1 1 A 9 9 SER CB C 9 63.742 61.073 2.669 1
1 43 . 14 1 1 A 9 9 SER N N 9 116.213 114.732 1.481 1
1 44 . 14 1 1 A 10 10 GLU H H 10 8.428 8.053 0.375 1
1 45 . 14 1 1 A 10 10 GLU HA H 10 4.232 3.998 0.234 1
1 50 . 14 1 1 A 10 10 GLU C C 10 176.769 179.301 -2.532 1
1 51 . 14 1 1 A 10 10 GLU CA C 10 56.887 59.131 -2.244 1
1 52 . 14 1 1 A 10 10 GLU CB C 10 30.267 29.420 0.847 1
1 54 . 14 1 1 A 10 10 GLU N N 10 122.618 122.902 -0.284 1
1 55 . 14 1 1 A 11 11 GLU H H 11 8.315 8.220 0.095 1
1 56 . 14 1 1 A 11 11 GLU HA H 11 4.179 4.226 -0.047 1
1 61 . 14 1 1 A 11 11 GLU C C 11 177.182 177.803 -0.621 1
1 62 . 14 1 1 A 11 11 GLU CA C 11 56.896 58.304 -1.408 1
1 63 . 14 1 1 A 11 11 GLU CB C 11 30.317 29.256 1.061 1
1 65 . 14 1 1 A 11 11 GLU N N 11 120.909 118.776 2.133 1
1 66 . 14 1 1 A 12 12 GLU H H 12 8.333 8.129 0.204 1
1 67 . 14 1 1 A 12 12 GLU HA H 12 4.100 4.199 -0.099 1
1 72 . 14 1 1 A 12 12 GLU C C 12 176.860 178.673 -1.813 1
1 73 . 14 1 1 A 12 12 GLU CA C 12 57.495 58.785 -1.290 1
1 74 . 14 1 1 A 12 12 GLU CB C 12 30.221 29.364 0.857 1
1 76 . 14 1 1 A 12 12 GLU N N 12 121.578 119.361 2.217 1
1 77 . 14 1 1 A 13 13 ASP H H 13 8.332 7.832 0.500 1
1 78 . 14 1 1 A 13 13 ASP HA H 13 4.468 4.431 0.037 1
1 81 . 14 1 1 A 13 13 ASP C C 13 176.833 176.672 0.161 1
1 82 . 14 1 1 A 13 13 ASP CA C 13 54.921 56.636 -1.715 1
1 83 . 14 1 1 A 13 13 ASP CB C 13 40.912 41.283 -0.371 1
1 84 . 14 1 1 A 13 13 ASP N N 13 120.147 119.652 0.495 1
1 85 . 14 1 1 A 14 14 LYS H H 14 8.014 7.617 0.397 1
1 86 . 14 1 1 A 14 14 LYS HA H 14 4.204 4.212 -0.008 1
1 95 . 14 1 1 A 14 14 LYS C C 14 176.568 176.180 0.388 1
1 96 . 14 1 1 A 14 14 LYS CA C 14 56.558 57.136 -0.578 1
1 97 . 14 1 1 A 14 14 LYS CB C 14 32.598 32.908 -0.310 1
1 101 . 14 1 1 A 14 14 LYS N N 14 120.485 119.394 1.091 1
1 102 . 14 1 1 A 15 15 CYS H H 15 8.013 8.453 -0.440 1
1 103 . 14 1 1 A 15 15 CYS HA H 15 4.304 5.286 -0.982 1
1 106 . 14 1 1 A 15 15 CYS C C 15 173.801 173.589 0.212 1
1 107 . 14 1 1 A 15 15 CYS CA C 15 58.337 57.018 1.319 1
1 108 . 14 1 1 A 15 15 CYS CB C 15 28.061 30.790 -2.729 1
1 109 . 14 1 1 A 15 15 CYS N N 15 118.099 122.879 -4.780 1
1 110 . 14 1 1 A 16 16 LYS H H 16 8.287 8.572 -0.285 1
1 111 . 14 1 1 A 16 16 LYS HA H 16 4.491 4.794 -0.303 1
1 120 . 14 1 1 A 16 16 LYS C C 16 175.117 173.861 1.256 1
1 121 . 14 1 1 A 16 16 LYS CA C 16 54.512 53.140 1.372 1
1 122 . 14 1 1 A 16 16 LYS CB C 16 32.697 34.521 -1.824 1
1 124 . 14 1 1 A 16 16 LYS N N 16 125.369 120.801 4.568 1
1 125 . 14 1 1 A 17 17 PRO HA H 17 4.247 4.702 -0.455 1
1 132 . 14 1 1 A 17 17 PRO C C 17 176.956 176.767 0.189 1
1 133 . 14 1 1 A 17 17 PRO CA C 17 63.088 62.837 0.251 1
1 134 . 14 1 1 A 17 17 PRO CB C 17 32.244 31.590 0.654 1
1 137 . 14 1 1 A 18 18 MET H H 18 8.516 8.384 0.132 1
1 138 . 14 1 1 A 18 18 MET HA H 18 4.488 4.714 -0.226 1
1 146 . 14 1 1 A 18 18 MET C C 18 176.759 176.196 0.563 1
1 147 . 14 1 1 A 18 18 MET CA C 18 56.169 53.998 2.171 1
1 148 . 14 1 1 A 18 18 MET CB C 18 35.531 32.081 3.450 1
1 151 . 14 1 1 A 18 18 MET N N 18 121.801 123.240 -1.439 1
1 152 . 14 1 1 A 19 19 SER H H 19 9.100 8.850 0.250 1
1 153 . 14 1 1 A 19 19 SER HA H 19 4.459 4.550 -0.091 1
1 156 . 14 1 1 A 19 19 SER C C 19 175.018 175.166 -0.148 1
1 157 . 14 1 1 A 19 19 SER CA C 19 56.894 58.796 -1.902 1
1 158 . 14 1 1 A 19 19 SER CB C 19 65.854 64.356 1.498 1
1 159 . 14 1 1 A 19 19 SER N N 19 119.212 120.474 -1.262 1
1 160 . 14 1 1 A 20 20 TYR H H 20 8.959 9.370 -0.411 1
1 161 . 14 1 1 A 20 20 TYR HA H 20 4.029 4.149 -0.120 1
1 168 . 14 1 1 A 20 20 TYR C C 20 177.960 177.391 0.569 1
1 169 . 14 1 1 A 20 20 TYR CA C 20 62.463 62.637 -0.174 1
1 170 . 14 1 1 A 20 20 TYR CB C 20 38.009 39.010 -1.001 1
1 175 . 14 1 1 A 20 20 TYR N N 20 121.218 124.377 -3.159 1
1 176 . 14 1 1 A 21 21 GLU H H 21 8.825 8.292 0.533 1
1 177 . 14 1 1 A 21 21 GLU HA H 21 3.811 3.691 0.120 1
1 182 . 14 1 1 A 21 21 GLU C C 21 179.481 179.095 0.386 1
1 183 . 14 1 1 A 21 21 GLU CA C 21 59.951 59.812 0.139 1
1 184 . 14 1 1 A 21 21 GLU CB C 21 28.823 29.135 -0.312 1
1 186 . 14 1 1 A 21 21 GLU N N 21 118.696 117.978 0.718 1
1 187 . 14 1 1 A 22 22 GLU H H 22 7.771 7.842 -0.071 1
1 188 . 14 1 1 A 22 22 GLU HA H 22 3.899 4.050 -0.151 1
1 193 . 14 1 1 A 22 22 GLU C C 22 179.680 179.290 0.390 1
1 194 . 14 1 1 A 22 22 GLU CA C 22 59.498 59.068 0.430 1
1 195 . 14 1 1 A 22 22 GLU CB C 22 30.385 29.460 0.925 1
1 197 . 14 1 1 A 22 22 GLU N N 22 120.141 120.920 -0.779 1
1 198 . 14 1 1 A 23 23 LYS H H 23 8.101 7.878 0.223 1
1 199 . 14 1 1 A 23 23 LYS HA H 23 3.662 3.762 -0.100 1
1 208 . 14 1 1 A 23 23 LYS C C 23 178.250 179.325 -1.075 1
1 209 . 14 1 1 A 23 23 LYS CA C 23 60.345 59.760 0.585 1
1 210 . 14 1 1 A 23 23 LYS CB C 23 32.611 32.267 0.344 1
1 214 . 14 1 1 A 23 23 LYS N N 23 120.594 119.186 1.408 1
1 215 . 14 1 1 A 24 24 ARG H H 24 8.030 7.631 0.399 1
1 216 . 14 1 1 A 24 24 ARG HA H 24 3.721 4.057 -0.336 1
1 223 . 14 1 1 A 24 24 ARG C C 24 178.992 179.068 -0.076 1
1 224 . 14 1 1 A 24 24 ARG CA C 24 59.055 59.308 -0.253 1
1 225 . 14 1 1 A 24 24 ARG CB C 24 29.623 30.007 -0.384 1
1 228 . 14 1 1 A 24 24 ARG N N 24 120.100 118.865 1.235 1
1 229 . 14 1 1 A 25 25 GLN H H 25 7.940 7.573 0.367 1
1 230 . 14 1 1 A 25 25 GLN HA H 25 3.706 3.989 -0.283 1
1 237 . 14 1 1 A 25 25 GLN C C 25 177.078 177.876 -0.798 1
1 238 . 14 1 1 A 25 25 GLN CA C 25 58.104 58.625 -0.521 1
1 239 . 14 1 1 A 25 25 GLN CB C 25 28.294 28.078 0.216 1
1 241 . 14 1 1 A 25 25 GLN N N 25 118.586 119.645 -1.059 1
1 243 . 14 1 1 A 26 26 LEU H H 26 7.843 7.664 0.179 1
1 244 . 14 1 1 A 26 26 LEU HA H 26 4.182 3.935 0.247 1
1 254 . 14 1 1 A 26 26 LEU C C 26 178.116 178.674 -0.558 1
1 255 . 14 1 1 A 26 26 LEU CA C 26 57.867 57.624 0.243 1
1 256 . 14 1 1 A 26 26 LEU CB C 26 41.167 41.169 -0.002 1
1 259 . 14 1 1 A 26 26 LEU N N 26 119.570 121.452 -1.882 1
1 260 . 14 1 1 A 27 27 SER H H 27 7.710 7.765 -0.055 1
1 261 . 14 1 1 A 27 27 SER HA H 27 3.869 4.366 -0.497 1
1 264 . 14 1 1 A 27 27 SER C C 27 176.845 177.611 -0.766 1
1 265 . 14 1 1 A 27 27 SER CA C 27 61.478 61.403 0.075 1
1 266 . 14 1 1 A 27 27 SER CB C 27 62.828 63.038 -0.210 1
1 267 . 14 1 1 A 27 27 SER N N 27 112.126 114.690 -2.564 1
1 268 . 14 1 1 A 28 28 LEU H H 28 7.613 7.896 -0.283 1
1 269 . 14 1 1 A 28 28 LEU HA H 28 3.954 3.956 -0.002 1
1 279 . 14 1 1 A 28 28 LEU C C 28 180.044 178.919 1.125 1
1 280 . 14 1 1 A 28 28 LEU CA C 28 57.862 58.040 -0.178 1
1 281 . 14 1 1 A 28 28 LEU CB C 28 41.703 41.431 0.272 1
1 285 . 14 1 1 A 28 28 LEU N N 28 120.774 121.812 -1.038 1
1 286 . 14 1 1 A 29 29 ASP H H 29 8.476 8.109 0.367 1
1 287 . 14 1 1 A 29 29 ASP HA H 29 4.236 4.488 -0.252 1
1 290 . 14 1 1 A 29 29 ASP C C 29 179.532 179.065 0.467 1
1 291 . 14 1 1 A 29 29 ASP CA C 29 57.618 57.463 0.155 1
1 292 . 14 1 1 A 29 29 ASP CB C 29 40.447 40.521 -0.074 1
1 293 . 14 1 1 A 29 29 ASP N N 29 120.971 118.728 2.243 1
1 294 . 14 1 1 A 30 30 ILE H H 30 8.558 7.923 0.635 1
1 295 . 14 1 1 A 30 30 ILE HA H 30 3.564 3.570 -0.006 1
1 305 . 14 1 1 A 30 30 ILE C C 30 178.098 178.072 0.026 1
1 306 . 14 1 1 A 30 30 ILE CA C 30 65.616 65.565 0.051 1
1 307 . 14 1 1 A 30 30 ILE CB C 30 37.697 37.860 -0.163 1
1 311 . 14 1 1 A 30 30 ILE N N 30 120.240 121.199 -0.959 1
1 312 . 14 1 1 A 31 31 ASN H H 31 7.350 8.522 -1.172 1
1 313 . 14 1 1 A 31 31 ASN HA H 31 4.560 4.480 0.080 1
1 318 . 14 1 1 A 31 31 ASN C C 31 175.952 178.047 -2.095 1
1 319 . 14 1 1 A 31 31 ASN CA C 31 54.997 56.703 -1.706 1
1 320 . 14 1 1 A 31 31 ASN CB C 31 38.769 37.944 0.825 1
1 321 . 14 1 1 A 31 31 ASN N N 31 115.285 117.262 -1.977 1
1 323 . 14 1 1 A 32 32 LYS H H 32 7.509 7.437 0.072 1
1 324 . 14 1 1 A 32 32 LYS HA H 32 4.286 4.315 -0.029 1
1 333 . 14 1 1 A 32 32 LYS C C 32 177.232 177.320 -0.088 1
1 334 . 14 1 1 A 32 32 LYS CA C 32 56.330 57.601 -1.271 1
1 335 . 14 1 1 A 32 32 LYS CB C 32 33.570 32.790 0.780 1
1 339 . 14 1 1 A 32 32 LYS N N 32 117.496 117.395 0.101 1
1 340 . 14 1 1 A 33 33 LEU H H 33 7.455 7.534 -0.079 1
1 341 . 14 1 1 A 33 33 LEU HA H 33 4.265 4.410 -0.145 1
1 351 . 14 1 1 A 33 33 LEU CA C 33 53.436 53.366 0.070 1
1 352 . 14 1 1 A 33 33 LEU CB C 33 41.464 41.902 -0.438 1
1 356 . 14 1 1 A 33 33 LEU N N 33 120.501 121.263 -0.762 1
1 357 . 14 1 1 A 34 34 PRO HA H 34 4.561 4.643 -0.082 1
1 364 . 14 1 1 A 34 34 PRO C C 34 178.359 177.876 0.483 1
1 365 . 14 1 1 A 34 34 PRO CA C 34 62.251 62.386 -0.135 1
1 366 . 14 1 1 A 34 34 PRO CB C 34 32.489 32.579 -0.090 1
1 369 . 14 1 1 A 35 35 GLY H H 35 8.865 8.692 0.173 1
1 370 . 14 1 1 A 35 35 GLY HA2 H 35 3.709 3.822 -0.113 1
1 371 . 14 1 1 A 35 35 GLY HA3 H 35 4.005 3.829 0.176 1
1 372 . 14 1 1 A 35 35 GLY C C 35 176.845 175.931 0.914 1
1 373 . 14 1 1 A 35 35 GLY CA C 35 48.165 47.281 0.884 1
1 374 . 14 1 1 A 35 35 GLY N N 35 109.986 109.297 0.689 1
1 375 . 14 1 1 A 36 36 GLU H H 36 9.360 8.999 0.361 1
1 376 . 14 1 1 A 36 36 GLU HA H 36 4.233 4.115 0.118 1
1 381 . 14 1 1 A 36 36 GLU C C 36 178.326 177.738 0.588 1
1 382 . 14 1 1 A 36 36 GLU CA C 36 58.964 58.715 0.249 1
1 383 . 14 1 1 A 36 36 GLU CB C 36 28.689 28.528 0.161 1
1 385 . 14 1 1 A 36 36 GLU N N 36 119.485 120.866 -1.381 1
1 386 . 14 1 1 A 37 37 LYS H H 37 7.734 7.933 -0.199 1
1 387 . 14 1 1 A 37 37 LYS HA H 37 4.516 4.476 0.040 1
1 396 . 14 1 1 A 37 37 LYS C C 37 178.698 178.061 0.637 1
1 397 . 14 1 1 A 37 37 LYS CA C 37 55.977 56.451 -0.474 1
1 398 . 14 1 1 A 37 37 LYS CB C 37 32.981 33.267 -0.286 1
1 402 . 14 1 1 A 37 37 LYS N N 37 116.668 118.974 -2.306 1
1 403 . 14 1 1 A 38 38 LEU H H 38 7.882 7.852 0.030 1
1 404 . 14 1 1 A 38 38 LEU HA H 38 4.103 4.023 0.080 1
1 414 . 14 1 1 A 38 38 LEU C C 38 179.042 178.587 0.455 1
1 415 . 14 1 1 A 38 38 LEU CA C 38 57.832 57.945 -0.113 1
1 416 . 14 1 1 A 38 38 LEU CB C 38 41.753 41.837 -0.084 1
1 420 . 14 1 1 A 38 38 LEU N N 38 121.898 122.086 -0.188 1
1 421 . 14 1 1 A 39 39 GLY H H 39 8.212 8.203 0.009 1
1 422 . 14 1 1 A 39 39 GLY HA2 H 39 3.720 3.938 -0.218 1
1 423 . 14 1 1 A 39 39 GLY HA3 H 39 3.853 3.969 -0.116 1
1 424 . 14 1 1 A 39 39 GLY C C 39 176.507 175.325 1.182 1
1 425 . 14 1 1 A 39 39 GLY CA C 39 47.218 46.724 0.494 1
1 426 . 14 1 1 A 39 39 GLY N N 39 106.042 106.432 -0.390 1
1 427 . 14 1 1 A 40 40 ARG H H 40 7.416 7.759 -0.343 1
1 428 . 14 1 1 A 40 40 ARG HA H 40 4.031 3.942 0.089 1
1 435 . 14 1 1 A 40 40 ARG C C 40 177.974 178.785 -0.811 1
1 436 . 14 1 1 A 40 40 ARG CA C 40 57.460 58.231 -0.771 1
1 437 . 14 1 1 A 40 40 ARG CB C 40 29.051 29.637 -0.586 1
1 440 . 14 1 1 A 40 40 ARG N N 40 120.046 121.209 -1.163 1
1 441 . 14 1 1 A 41 41 VAL H H 41 7.417 7.939 -0.522 1
1 442 . 14 1 1 A 41 41 VAL HA H 41 3.285 3.491 -0.206 1
1 450 . 14 1 1 A 41 41 VAL C C 41 177.090 178.088 -0.998 1
1 451 . 14 1 1 A 41 41 VAL CA C 41 66.979 66.389 0.590 1
1 452 . 14 1 1 A 41 41 VAL CB C 41 31.059 31.643 -0.584 1
1 455 . 14 1 1 A 41 41 VAL N N 41 119.285 119.785 -0.500 1
1 456 . 14 1 1 A 42 42 VAL H H 42 7.493 8.070 -0.577 1
1 457 . 14 1 1 A 42 42 VAL HA H 42 3.395 3.684 -0.289 1
1 465 . 14 1 1 A 42 42 VAL C C 42 177.200 178.756 -1.556 1
1 466 . 14 1 1 A 42 42 VAL CA C 42 66.764 66.362 0.402 1
1 467 . 14 1 1 A 42 42 VAL CB C 42 31.296 31.495 -0.199 1
1 470 . 14 1 1 A 42 42 VAL N N 42 116.606 119.781 -3.175 1
1 471 . 14 1 1 A 43 43 HIS H H 43 7.602 8.035 -0.433 1
1 472 . 14 1 1 A 43 43 HIS HA H 43 4.264 4.261 0.003 1
1 477 . 14 1 1 A 43 43 HIS C C 43 178.854 177.870 0.984 1
1 478 . 14 1 1 A 43 43 HIS CA C 43 59.824 59.549 0.275 1
1 479 . 14 1 1 A 43 43 HIS CB C 43 30.605 29.592 1.013 1
1 482 . 14 1 1 A 43 43 HIS N N 43 118.867 117.641 1.226 1
1 483 . 14 1 1 A 44 44 ILE H H 44 8.344 8.032 0.312 1
1 484 . 14 1 1 A 44 44 ILE HA H 44 3.375 3.632 -0.257 1
1 494 . 14 1 1 A 44 44 ILE C C 44 178.054 177.844 0.210 1
1 495 . 14 1 1 A 44 44 ILE CA C 44 65.922 64.454 1.468 1
1 496 . 14 1 1 A 44 44 ILE CB C 44 37.950 37.710 0.240 1
1 500 . 14 1 1 A 44 44 ILE N N 44 121.530 120.523 1.007 1
1 501 . 14 1 1 A 45 45 ILE H H 45 7.604 8.289 -0.685 1
1 502 . 14 1 1 A 45 45 ILE HA H 45 3.311 3.561 -0.250 1
1 512 . 14 1 1 A 45 45 ILE C C 45 177.378 177.795 -0.417 1
1 513 . 14 1 1 A 45 45 ILE CA C 45 66.577 65.331 1.246 1
1 514 . 14 1 1 A 45 45 ILE CB C 45 38.168 37.557 0.611 1
1 518 . 14 1 1 A 45 45 ILE N N 45 117.572 120.615 -3.043 1
1 519 . 14 1 1 A 46 46 GLN H H 46 8.626 8.104 0.522 1
1 520 . 14 1 1 A 46 46 GLN HA H 46 3.719 3.947 -0.228 1
1 527 . 14 1 1 A 46 46 GLN C C 46 177.483 178.144 -0.661 1
1 528 . 14 1 1 A 46 46 GLN CA C 46 59.443 58.868 0.575 1
1 529 . 14 1 1 A 46 46 GLN CB C 46 28.832 28.107 0.725 1
1 531 . 14 1 1 A 46 46 GLN N N 46 115.916 118.903 -2.987 1
1 533 . 14 1 1 A 47 47 SER H H 47 7.862 7.659 0.203 1
1 534 . 14 1 1 A 47 47 SER HA H 47 4.064 4.180 -0.116 1
1 537 . 14 1 1 A 47 47 SER C C 47 175.615 176.742 -1.127 1
1 538 . 14 1 1 A 47 47 SER CA C 47 60.602 61.179 -0.577 1
1 539 . 14 1 1 A 47 47 SER CB C 47 63.313 63.071 0.242 1
1 540 . 14 1 1 A 47 47 SER N N 47 110.902 115.733 -4.831 1
1 541 . 14 1 1 A 48 48 ARG H H 48 7.362 8.012 -0.650 1
1 542 . 14 1 1 A 48 48 ARG HA H 48 4.306 4.257 0.049 1
1 549 . 14 1 1 A 48 48 ARG C C 48 176.365 176.443 -0.078 1
1 550 . 14 1 1 A 48 48 ARG CA C 48 55.992 58.397 -2.405 1
1 551 . 14 1 1 A 48 48 ARG CB C 48 33.000 30.882 2.118 1
1 554 . 14 1 1 A 48 48 ARG N N 48 118.403 119.026 -0.623 1
1 555 . 14 1 1 A 49 49 GLU H H 49 7.714 7.884 -0.170 1
1 556 . 14 1 1 A 49 49 GLU HA H 49 4.806 4.727 0.079 1
1 561 . 14 1 1 A 49 49 GLU C C 49 174.213 174.541 -0.328 1
1 562 . 14 1 1 A 49 49 GLU CA C 49 52.903 53.593 -0.690 1
1 563 . 14 1 1 A 49 49 GLU CB C 49 28.835 29.955 -1.120 1
1 565 . 14 1 1 A 49 49 GLU N N 49 118.387 119.126 -0.739 1
1 566 . 14 1 1 A 50 50 PRO HA H 50 4.273 4.423 -0.150 1
1 573 . 14 1 1 A 50 50 PRO C C 50 178.412 177.460 0.952 1
1 574 . 14 1 1 A 50 50 PRO CA C 50 64.641 64.260 0.381 1
1 575 . 14 1 1 A 50 50 PRO CB C 50 32.045 31.896 0.149 1
1 578 . 14 1 1 A 51 51 SER H H 51 8.290 8.492 -0.202 1
1 579 . 14 1 1 A 51 51 SER HA H 51 4.271 4.572 -0.301 1
1 582 . 14 1 1 A 51 51 SER C C 51 175.130 175.182 -0.052 1
1 583 . 14 1 1 A 51 51 SER CA C 51 59.824 59.130 0.694 1
1 584 . 14 1 1 A 51 51 SER CB C 51 63.071 63.780 -0.709 1
1 585 . 14 1 1 A 51 51 SER N N 51 112.214 112.976 -0.762 1
1 586 . 14 1 1 A 52 52 LEU H H 52 7.882 7.587 0.295 1
1 587 . 14 1 1 A 52 52 LEU HA H 52 4.479 4.380 0.099 1
1 597 . 14 1 1 A 52 52 LEU C C 52 177.843 178.060 -0.217 1
1 598 . 14 1 1 A 52 52 LEU CA C 52 54.734 54.612 0.122 1
1 599 . 14 1 1 A 52 52 LEU CB C 52 42.500 42.507 -0.007 1
1 603 . 14 1 1 A 52 52 LEU N N 52 121.800 118.567 3.233 1
1 604 . 14 1 1 A 53 53 LYS H H 53 7.638 8.207 -0.569 1
1 605 . 14 1 1 A 53 53 LYS HA H 53 4.022 4.042 -0.020 1
1 614 . 14 1 1 A 53 53 LYS C C 53 176.270 177.304 -1.034 1
1 615 . 14 1 1 A 53 53 LYS CA C 53 58.288 58.692 -0.404 1
1 616 . 14 1 1 A 53 53 LYS CB C 53 32.924 31.751 1.173 1
1 620 . 14 1 1 A 53 53 LYS N N 53 121.559 119.167 2.392 1
1 621 . 14 1 1 A 54 54 ASN H H 54 8.266 7.563 0.703 1
1 622 . 14 1 1 A 54 54 ASN HA H 54 4.732 4.811 -0.079 1
1 627 . 14 1 1 A 54 54 ASN C C 54 175.097 175.492 -0.395 1
1 628 . 14 1 1 A 54 54 ASN CA C 54 53.020 53.261 -0.241 1
1 629 . 14 1 1 A 54 54 ASN CB C 54 38.863 39.415 -0.552 1
1 630 . 14 1 1 A 54 54 ASN N N 54 116.053 116.863 -0.810 1
1 632 . 14 1 1 A 55 55 SER H H 55 7.692 7.408 0.284 1
1 633 . 14 1 1 A 55 55 SER HA H 55 4.288 4.671 -0.383 1
1 636 . 14 1 1 A 55 55 SER C C 55 173.418 174.348 -0.930 1
1 637 . 14 1 1 A 55 55 SER CA C 55 58.900 57.626 1.274 1
1 638 . 14 1 1 A 55 55 SER CB C 55 63.914 65.524 -1.610 1
1 639 . 14 1 1 A 55 55 SER N N 55 115.901 116.615 -0.714 1
1 640 . 14 1 1 A 56 56 ASN H H 56 8.574 8.485 0.089 1
1 641 . 14 1 1 A 56 56 ASN HA H 56 4.857 4.961 -0.104 1
1 646 . 14 1 1 A 56 56 ASN C C 56 174.843 175.553 -0.710 1
1 647 . 14 1 1 A 56 56 ASN CA C 56 50.974 51.623 -0.649 1
1 648 . 14 1 1 A 56 56 ASN CB C 56 38.744 39.023 -0.279 1
1 649 . 14 1 1 A 56 56 ASN N N 56 122.245 121.673 0.572 1
1 651 . 14 1 1 A 57 57 PRO HA H 57 4.079 4.333 -0.254 1
1 658 . 14 1 1 A 57 57 PRO C C 57 176.856 177.937 -1.081 1
1 659 . 14 1 1 A 57 57 PRO CA C 57 64.733 65.536 -0.803 1
1 660 . 14 1 1 A 57 57 PRO CB C 57 31.968 31.769 0.199 1
1 663 . 14 1 1 A 58 58 ASP H H 58 8.024 8.545 -0.521 1
1 664 . 14 1 1 A 58 58 ASP HA H 58 4.445 4.481 -0.036 1
1 667 . 14 1 1 A 58 58 ASP C C 58 176.369 177.285 -0.916 1
1 668 . 14 1 1 A 58 58 ASP CA C 58 55.247 55.818 -0.571 1
1 669 . 14 1 1 A 58 58 ASP CB C 58 40.828 40.302 0.526 1
1 670 . 14 1 1 A 58 58 ASP N N 58 114.883 116.865 -1.982 1
1 671 . 14 1 1 A 59 59 GLU H H 59 7.663 7.418 0.245 1
1 672 . 14 1 1 A 59 59 GLU HA H 59 4.341 4.394 -0.053 1
1 677 . 14 1 1 A 59 59 GLU C C 59 175.690 176.324 -0.634 1
1 678 . 14 1 1 A 59 59 GLU CA C 59 55.425 56.300 -0.875 1
1 679 . 14 1 1 A 59 59 GLU CB C 59 31.140 30.055 1.085 1
1 681 . 14 1 1 A 59 59 GLU N N 59 117.763 117.738 0.025 1
1 682 . 14 1 1 A 60 60 ILE H H 60 7.457 7.233 0.224 1
1 683 . 14 1 1 A 60 60 ILE HA H 60 3.962 4.044 -0.082 1
1 693 . 14 1 1 A 60 60 ILE C C 60 174.951 175.510 -0.559 1
1 694 . 14 1 1 A 60 60 ILE CA C 60 61.416 61.256 0.160 1
1 695 . 14 1 1 A 60 60 ILE CB C 60 38.693 38.755 -0.062 1
1 699 . 14 1 1 A 60 60 ILE N N 60 120.600 121.041 -0.441 1
1 700 . 14 1 1 A 61 61 GLU H H 61 8.267 8.692 -0.425 1
1 701 . 14 1 1 A 61 61 GLU HA H 61 4.333 4.662 -0.329 1
1 706 . 14 1 1 A 61 61 GLU C C 61 175.576 175.400 0.176 1
1 707 . 14 1 1 A 61 61 GLU CA C 61 55.085 55.392 -0.307 1
1 708 . 14 1 1 A 61 61 GLU CB C 61 30.717 30.034 0.683 1
1 710 . 14 1 1 A 61 61 GLU N N 61 126.935 127.163 -0.228 1
1 711 . 14 1 1 A 62 62 ILE H H 62 8.425 8.468 -0.043 1
1 712 . 14 1 1 A 62 62 ILE HA H 62 3.570 4.154 -0.584 1
1 722 . 14 1 1 A 62 62 ILE C C 62 174.594 174.842 -0.248 1
1 723 . 14 1 1 A 62 62 ILE CA C 62 61.570 61.822 -0.252 1
1 724 . 14 1 1 A 62 62 ILE CB C 62 38.187 37.307 0.880 1
1 728 . 14 1 1 A 62 62 ILE N N 62 124.857 125.821 -0.964 1
1 729 . 14 1 1 A 63 63 ASP H H 63 8.459 8.573 -0.114 1
1 730 . 14 1 1 A 63 63 ASP HA H 63 4.691 5.055 -0.364 1
1 733 . 14 1 1 A 63 63 ASP C C 63 177.284 176.197 1.087 1
1 734 . 14 1 1 A 63 63 ASP CA C 63 52.272 52.677 -0.405 1
1 735 . 14 1 1 A 63 63 ASP CB C 63 41.160 43.645 -2.485 1
1 736 . 14 1 1 A 63 63 ASP N N 63 126.597 129.077 -2.480 1
1 737 . 14 1 1 A 64 64 PHE H H 64 8.609 8.442 0.167 1
1 738 . 14 1 1 A 64 64 PHE HA H 64 4.016 4.429 -0.413 1
1 746 . 14 1 1 A 64 64 PHE C C 64 177.010 176.936 0.074 1
1 747 . 14 1 1 A 64 64 PHE CA C 64 59.795 59.739 0.056 1
1 748 . 14 1 1 A 64 64 PHE CB C 64 38.084 38.229 -0.145 1
1 754 . 14 1 1 A 64 64 PHE N N 64 123.270 123.144 0.126 1
1 755 . 14 1 1 A 65 65 GLU H H 65 8.317 7.972 0.345 1
1 756 . 14 1 1 A 65 65 GLU HA H 65 4.171 4.456 -0.285 1
1 761 . 14 1 1 A 65 65 GLU C C 65 177.913 176.895 1.018 1
1 762 . 14 1 1 A 65 65 GLU CA C 65 57.524 57.043 0.481 1
1 763 . 14 1 1 A 65 65 GLU CB C 65 29.440 30.243 -0.803 1
1 765 . 14 1 1 A 65 65 GLU N N 65 114.355 119.139 -4.784 1
1 766 . 14 1 1 A 66 66 THR H H 66 7.388 7.922 -0.534 1
1 767 . 14 1 1 A 66 66 THR HA H 66 4.396 4.669 -0.273 1
1 772 . 14 1 1 A 66 66 THR C C 66 174.662 174.622 0.040 1
1 773 . 14 1 1 A 66 66 THR CA C 66 61.316 62.546 -1.230 1
1 774 . 14 1 1 A 66 66 THR CB C 66 69.711 71.798 -2.087 1
1 776 . 14 1 1 A 66 66 THR N N 66 106.424 113.555 -7.131 1
1 777 . 14 1 1 A 67 67 LEU H H 67 6.677 7.594 -0.917 1
1 778 . 14 1 1 A 67 67 LEU HA H 67 4.350 4.254 0.096 1
1 788 . 14 1 1 A 67 67 LEU C C 67 176.647 176.813 -0.166 1
1 789 . 14 1 1 A 67 67 LEU CA C 67 54.104 55.012 -0.908 1
1 790 . 14 1 1 A 67 67 LEU CB C 67 43.365 42.350 1.015 1
1 794 . 14 1 1 A 67 67 LEU N N 67 120.589 124.082 -3.493 1
1 795 . 14 1 1 A 68 68 LYS H H 68 9.947 8.772 1.175 1
1 796 . 14 1 1 A 68 68 LYS HA H 68 4.387 4.371 0.016 1
1 805 . 14 1 1 A 68 68 LYS C C 68 176.786 176.893 -0.107 1
1 806 . 14 1 1 A 68 68 LYS CA C 68 55.574 54.843 0.731 1
1 807 . 14 1 1 A 68 68 LYS CB C 68 31.897 31.948 -0.051 1
1 811 . 14 1 1 A 68 68 LYS N N 68 123.363 123.163 0.200 1
1 812 . 14 1 1 A 69 69 PRO HA H 69 4.091 4.332 -0.241 1
1 819 . 14 1 1 A 69 69 PRO C C 69 178.646 178.293 0.353 1
1 820 . 14 1 1 A 69 69 PRO CA C 69 66.153 65.229 0.924 1
1 821 . 14 1 1 A 69 69 PRO CB C 69 31.985 31.725 0.260 1
1 824 . 14 1 1 A 70 70 SER H H 70 8.490 8.164 0.326 1
1 825 . 14 1 1 A 70 70 SER HA H 70 4.231 4.227 0.004 1
1 828 . 14 1 1 A 70 70 SER C C 70 177.784 177.406 0.378 1
1 829 . 14 1 1 A 70 70 SER CA C 70 60.787 61.243 -0.456 1
1 830 . 14 1 1 A 70 70 SER CB C 70 61.797 62.467 -0.670 1
1 831 . 14 1 1 A 70 70 SER N N 70 109.802 112.837 -3.035 1
1 832 . 14 1 1 A 71 71 THR H H 71 7.340 7.707 -0.367 1
1 833 . 14 1 1 A 71 71 THR HA H 71 3.735 4.039 -0.304 1
1 838 . 14 1 1 A 71 71 THR C C 71 176.072 176.357 -0.285 1
1 839 . 14 1 1 A 71 71 THR CA C 71 65.913 66.950 -1.037 1
1 840 . 14 1 1 A 71 71 THR CB C 71 67.239 68.248 -1.009 1
1 842 . 14 1 1 A 71 71 THR N N 71 122.295 116.645 5.650 1
1 843 . 14 1 1 A 72 72 LEU H H 72 7.839 8.292 -0.453 1
1 844 . 14 1 1 A 72 72 LEU HA H 72 3.713 3.992 -0.279 1
1 854 . 14 1 1 A 72 72 LEU C C 72 178.998 179.376 -0.378 1
1 855 . 14 1 1 A 72 72 LEU CA C 72 58.622 57.717 0.905 1
1 856 . 14 1 1 A 72 72 LEU CB C 72 40.911 40.752 0.159 1
1 859 . 14 1 1 A 72 72 LEU N N 72 120.539 121.014 -0.475 1
1 860 . 14 1 1 A 73 73 ARG H H 73 8.244 7.974 0.270 1
1 861 . 14 1 1 A 73 73 ARG HA H 73 4.100 3.932 0.168 1
1 869 . 14 1 1 A 73 73 ARG C C 73 178.935 178.921 0.014 1
1 870 . 14 1 1 A 73 73 ARG CA C 73 57.649 59.697 -2.048 1
1 871 . 14 1 1 A 73 73 ARG CB C 73 28.923 29.787 -0.864 1
1 874 . 14 1 1 A 73 73 ARG N N 73 115.473 119.368 -3.895 1
1 876 . 14 1 1 A 74 74 GLU H H 74 7.758 7.787 -0.029 1
1 877 . 14 1 1 A 74 74 GLU HA H 74 4.139 4.115 0.024 1
1 882 . 14 1 1 A 74 74 GLU C C 74 179.640 179.527 0.113 1
1 883 . 14 1 1 A 74 74 GLU CA C 74 59.519 58.879 0.640 1
1 884 . 14 1 1 A 74 74 GLU CB C 74 28.670 30.156 -1.486 1
1 886 . 14 1 1 A 74 74 GLU N N 74 122.400 120.442 1.958 1
1 887 . 14 1 1 A 75 75 LEU H H 75 8.387 8.222 0.165 1
1 888 . 14 1 1 A 75 75 LEU HA H 75 4.070 3.998 0.072 1
1 898 . 14 1 1 A 75 75 LEU C C 75 178.024 178.890 -0.866 1
1 899 . 14 1 1 A 75 75 LEU CA C 75 58.147 57.951 0.196 1
1 900 . 14 1 1 A 75 75 LEU CB C 75 42.673 41.368 1.305 1
1 904 . 14 1 1 A 75 75 LEU N N 75 119.699 120.551 -0.852 1
1 905 . 14 1 1 A 76 76 GLU H H 76 8.537 8.640 -0.103 1
1 906 . 14 1 1 A 76 76 GLU HA H 76 3.751 3.828 -0.077 1
1 911 . 14 1 1 A 76 76 GLU C C 76 178.799 178.916 -0.117 1
1 912 . 14 1 1 A 76 76 GLU CA C 76 59.871 60.062 -0.191 1
1 913 . 14 1 1 A 76 76 GLU CB C 76 30.145 29.223 0.922 1
1 915 . 14 1 1 A 76 76 GLU N N 76 120.074 119.148 0.926 1
1 916 . 14 1 1 A 77 77 ARG H H 77 8.032 7.837 0.195 1
1 917 . 14 1 1 A 77 77 ARG HA H 77 3.934 4.014 -0.080 1
1 924 . 14 1 1 A 77 77 ARG C C 77 179.220 178.101 1.119 1
1 925 . 14 1 1 A 77 77 ARG CA C 77 59.974 58.987 0.987 1
1 926 . 14 1 1 A 77 77 ARG CB C 77 30.413 29.810 0.603 1
1 929 . 14 1 1 A 77 77 ARG N N 77 120.100 120.178 -0.078 1
1 930 . 14 1 1 A 78 78 TYR H H 78 8.084 8.077 0.007 1
1 931 . 14 1 1 A 78 78 TYR HA H 78 4.260 4.203 0.057 1
1 938 . 14 1 1 A 78 78 TYR C C 78 178.620 177.211 1.409 1
1 939 . 14 1 1 A 78 78 TYR CA C 78 61.507 61.218 0.289 1
1 940 . 14 1 1 A 78 78 TYR CB C 78 38.440 38.557 -0.117 1
1 945 . 14 1 1 A 78 78 TYR N N 78 120.327 120.390 -0.063 1
1 946 . 14 1 1 A 79 79 VAL H H 79 9.136 8.235 0.901 1
1 947 . 14 1 1 A 79 79 VAL HA H 79 3.161 3.609 -0.448 1
1 955 . 14 1 1 A 79 79 VAL C C 79 178.067 178.178 -0.111 1
1 956 . 14 1 1 A 79 79 VAL CA C 79 67.306 65.557 1.749 1
1 957 . 14 1 1 A 79 79 VAL CB C 79 31.505 31.330 0.175 1
1 960 . 14 1 1 A 79 79 VAL N N 79 120.576 118.943 1.633 1
1 961 . 14 1 1 A 80 80 THR H H 80 8.297 8.306 -0.009 1
1 962 . 14 1 1 A 80 80 THR HA H 80 3.721 3.919 -0.198 1
1 967 . 14 1 1 A 80 80 THR C C 80 176.623 176.753 -0.130 1
1 968 . 14 1 1 A 80 80 THR CA C 80 66.823 66.179 0.644 1
1 969 . 14 1 1 A 80 80 THR CB C 80 68.508 68.441 0.067 1
1 971 . 14 1 1 A 80 80 THR N N 80 115.107 117.840 -2.733 1
1 972 . 14 1 1 A 81 81 SER H H 81 7.537 7.988 -0.451 1
1 973 . 14 1 1 A 81 81 SER HA H 81 4.165 4.144 0.021 1
1 976 . 14 1 1 A 81 81 SER C C 81 176.196 175.812 0.384 1
1 977 . 14 1 1 A 81 81 SER CA C 81 61.371 61.549 -0.178 1
1 978 . 14 1 1 A 81 81 SER CB C 81 62.826 63.158 -0.332 1
1 979 . 14 1 1 A 81 81 SER N N 81 116.178 116.002 0.176 1
1 980 . 14 1 1 A 82 82 CYS H H 82 7.523 7.605 -0.082 1
1 981 . 14 1 1 A 82 82 CYS HA H 82 4.084 4.265 -0.181 1
1 984 . 14 1 1 A 82 82 CYS C C 82 176.363 175.569 0.794 1
1 985 . 14 1 1 A 82 82 CYS CA C 82 62.173 61.259 0.914 1
1 986 . 14 1 1 A 82 82 CYS CB C 82 27.872 26.684 1.188 1
1 987 . 14 1 1 A 82 82 CYS N N 82 118.207 119.144 -0.937 1
1 988 . 14 1 1 A 83 83 LEU H H 83 7.652 7.250 0.402 1
1 989 . 14 1 1 A 83 83 LEU HA H 83 4.216 4.262 -0.046 1
1 999 . 14 1 1 A 83 83 LEU C C 83 177.349 177.105 0.244 1
1 1000 . 14 1 1 A 83 83 LEU CA C 83 55.521 56.159 -0.638 1
1 1001 . 14 1 1 A 83 83 LEU CB C 83 42.550 43.162 -0.612 1
1 1005 . 14 1 1 A 83 83 LEU N N 83 118.141 117.972 0.169 1
1 1006 . 14 1 1 A 84 84 ARG H H 84 7.754 8.221 -0.467 1
1 1007 . 14 1 1 A 84 84 ARG HA H 84 4.153 3.877 0.276 1
1 1014 . 14 1 1 A 84 84 ARG C C 84 176.300 177.035 -0.735 1
1 1015 . 14 1 1 A 84 84 ARG CA C 84 56.829 56.892 -0.063 1
1 1016 . 14 1 1 A 84 84 ARG CB C 84 29.926 30.303 -0.377 1
1 1019 . 14 1 1 A 84 84 ARG N N 84 118.881 118.645 0.236 1
1 1020 . 14 1 1 A 85 85 LYS H H 85 7.904 8.963 -1.059 1
1 1021 . 14 1 1 A 85 85 LYS HA H 85 4.178 3.819 0.359 1
1 1030 . 14 1 1 A 85 85 LYS C C 85 176.549 175.289 1.260 1
1 1031 . 14 1 1 A 85 85 LYS CA C 85 56.514 57.517 -1.003 1
1 1032 . 14 1 1 A 85 85 LYS CB C 85 32.931 30.207 2.724 1
1 1036 . 14 1 1 A 85 85 LYS N N 85 120.528 120.758 -0.230 1
1 1037 . 14 1 1 A 86 86 LYS H H 86 8.139 7.920 0.219 1
1 1038 . 14 1 1 A 86 86 LYS HA H 86 4.194 4.141 0.053 1
1 1047 . 14 1 1 A 86 86 LYS C C 86 176.395 175.664 0.731 1
1 1048 . 14 1 1 A 86 86 LYS CA C 86 56.244 56.376 -0.132 1
1 1049 . 14 1 1 A 86 86 LYS CB C 86 32.971 33.347 -0.376 1
1 1053 . 14 1 1 A 86 86 LYS N N 86 121.979 121.294 0.685 1
1 1054 . 14 1 1 A 87 87 ARG H H 87 8.242 8.450 -0.208 1
1 1055 . 14 1 1 A 87 87 ARG HA H 87 4.223 4.364 -0.141 1
1 1062 . 14 1 1 A 87 87 ARG C C 87 175.989 175.144 0.845 1
1 1063 . 14 1 1 A 87 87 ARG CA C 87 55.953 56.821 -0.868 1
1 1064 . 14 1 1 A 87 87 ARG CB C 87 31.019 30.586 0.433 1
1 1067 . 14 1 1 A 87 87 ARG N N 87 122.606 127.403 -4.797 1
1 1068 . 14 1 1 A 88 88 LYS H H 88 8.318 8.339 -0.021 1
1 1069 . 14 1 1 A 88 88 LYS HA H 88 4.506 4.618 -0.112 1
1 1074 . 14 1 1 A 88 88 LYS C C 88 174.589 174.516 0.073 1
1 1075 . 14 1 1 A 88 88 LYS CA C 88 54.349 53.881 0.468 1
1 1076 . 14 1 1 A 88 88 LYS CB C 88 32.576 33.856 -1.280 1
1 1077 . 14 1 1 A 88 88 LYS N N 88 124.253 126.236 -1.983 1
1 1078 . 14 1 1 A 89 89 PRO HA H 89 4.327 4.694 -0.367 1
1 1085 . 14 1 1 A 89 89 PRO C C 89 176.044 175.446 0.598 1
1 1086 . 14 1 1 A 89 89 PRO CA C 89 63.489 62.374 1.115 1
1 1087 . 14 1 1 A 89 89 PRO CB C 89 31.921 33.334 -1.413 1
1 1 . 15 1 1 A 4 4 GLY C C 4 174.318 173.604 0.714 1
1 2 . 15 1 1 A 4 4 GLY CA C 4 45.318 46.677 -1.359 1
1 3 . 15 1 1 A 5 5 SER H H 5 8.211 8.616 -0.405 1
1 4 . 15 1 1 A 5 5 SER HA H 5 4.460 5.201 -0.741 1
1 7 . 15 1 1 A 5 5 SER C C 5 174.891 173.319 1.572 1
1 8 . 15 1 1 A 5 5 SER CA C 5 58.299 57.379 0.920 1
1 9 . 15 1 1 A 5 5 SER CB C 5 64.052 65.763 -1.711 1
1 10 . 15 1 1 A 5 5 SER N N 5 115.510 121.644 -6.134 1
1 11 . 15 1 1 A 6 6 SER H H 6 8.444 8.488 -0.044 1
1 12 . 15 1 1 A 6 6 SER HA H 6 4.428 4.945 -0.517 1
1 15 . 15 1 1 A 6 6 SER C C 6 175.096 173.346 1.750 1
1 16 . 15 1 1 A 6 6 SER CA C 6 58.706 57.489 1.217 1
1 17 . 15 1 1 A 6 6 SER CB C 6 63.920 67.360 -3.440 1
1 18 . 15 1 1 A 6 6 SER N N 6 117.613 116.878 0.735 1
1 19 . 15 1 1 A 7 7 GLY H H 7 8.359 8.573 -0.214 1
1 20 . 15 1 1 A 7 7 GLY HA2 H 7 3.916 4.197 -0.281 1
1 21 . 15 1 1 A 7 7 GLY HA3 H 7 3.916 4.197 -0.281 1
1 22 . 15 1 1 A 7 7 GLY C C 7 174.309 172.487 1.822 1
1 23 . 15 1 1 A 7 7 GLY CA C 7 45.399 45.231 0.168 1
1 24 . 15 1 1 A 7 7 GLY N N 7 110.468 109.437 1.031 1
1 25 . 15 1 1 A 8 8 GLU H H 8 8.235 9.078 -0.843 1
1 26 . 15 1 1 A 8 8 GLU HA H 8 4.248 5.057 -0.809 1
1 31 . 15 1 1 A 8 8 GLU C C 8 176.732 175.081 1.651 1
1 32 . 15 1 1 A 8 8 GLU CA C 8 56.630 55.058 1.572 1
1 33 . 15 1 1 A 8 8 GLU CB C 8 30.243 33.182 -2.939 1
1 35 . 15 1 1 A 8 8 GLU N N 8 120.254 125.427 -5.173 1
1 36 . 15 1 1 A 9 9 SER H H 9 8.327 8.698 -0.371 1
1 37 . 15 1 1 A 9 9 SER HA H 9 4.385 5.022 -0.637 1
1 40 . 15 1 1 A 9 9 SER C C 9 174.682 174.262 0.420 1
1 41 . 15 1 1 A 9 9 SER CA C 9 58.470 56.872 1.598 1
1 42 . 15 1 1 A 9 9 SER CB C 9 63.742 66.247 -2.505 1
1 43 . 15 1 1 A 9 9 SER N N 9 116.213 117.187 -0.974 1
1 44 . 15 1 1 A 10 10 GLU H H 10 8.428 9.007 -0.579 1
1 45 . 15 1 1 A 10 10 GLU HA H 10 4.232 4.117 0.115 1
1 50 . 15 1 1 A 10 10 GLU C C 10 176.769 178.601 -1.832 1
1 51 . 15 1 1 A 10 10 GLU CA C 10 56.887 59.075 -2.188 1
1 52 . 15 1 1 A 10 10 GLU CB C 10 30.267 29.361 0.906 1
1 54 . 15 1 1 A 10 10 GLU N N 10 122.618 126.590 -3.972 1
1 55 . 15 1 1 A 11 11 GLU H H 11 8.315 8.107 0.208 1
1 56 . 15 1 1 A 11 11 GLU HA H 11 4.179 4.135 0.044 1
1 61 . 15 1 1 A 11 11 GLU C C 11 177.182 178.362 -1.180 1
1 62 . 15 1 1 A 11 11 GLU CA C 11 56.896 59.083 -2.187 1
1 63 . 15 1 1 A 11 11 GLU CB C 11 30.317 29.272 1.045 1
1 65 . 15 1 1 A 11 11 GLU N N 11 120.909 119.255 1.654 1
1 66 . 15 1 1 A 12 12 GLU H H 12 8.333 8.302 0.031 1
1 67 . 15 1 1 A 12 12 GLU HA H 12 4.100 4.367 -0.267 1
1 72 . 15 1 1 A 12 12 GLU C C 12 176.860 176.361 0.499 1
1 73 . 15 1 1 A 12 12 GLU CA C 12 57.495 57.248 0.247 1
1 74 . 15 1 1 A 12 12 GLU CB C 12 30.221 30.340 -0.119 1
1 76 . 15 1 1 A 12 12 GLU N N 12 121.578 116.260 5.318 1
1 77 . 15 1 1 A 13 13 ASP H H 13 8.332 7.371 0.961 1
1 78 . 15 1 1 A 13 13 ASP HA H 13 4.468 4.759 -0.291 1
1 81 . 15 1 1 A 13 13 ASP C C 13 176.833 174.468 2.365 1
1 82 . 15 1 1 A 13 13 ASP CA C 13 54.921 53.519 1.402 1
1 83 . 15 1 1 A 13 13 ASP CB C 13 40.912 38.968 1.944 1
1 84 . 15 1 1 A 13 13 ASP N N 13 120.147 119.696 0.451 1
1 85 . 15 1 1 A 14 14 LYS H H 14 8.014 7.677 0.337 1
1 86 . 15 1 1 A 14 14 LYS HA H 14 4.204 4.873 -0.669 1
1 95 . 15 1 1 A 14 14 LYS C C 14 176.568 175.052 1.516 1
1 96 . 15 1 1 A 14 14 LYS CA C 14 56.558 54.314 2.244 1
1 97 . 15 1 1 A 14 14 LYS CB C 14 32.598 36.513 -3.915 1
1 101 . 15 1 1 A 14 14 LYS N N 14 120.485 119.767 0.718 1
1 102 . 15 1 1 A 15 15 CYS H H 15 8.013 8.585 -0.572 1
1 103 . 15 1 1 A 15 15 CYS HA H 15 4.304 5.089 -0.785 1
1 106 . 15 1 1 A 15 15 CYS C C 15 173.801 174.786 -0.985 1
1 107 . 15 1 1 A 15 15 CYS CA C 15 58.337 57.000 1.337 1
1 108 . 15 1 1 A 15 15 CYS CB C 15 28.061 28.316 -0.255 1
1 109 . 15 1 1 A 15 15 CYS N N 15 118.099 119.694 -1.595 1
1 110 . 15 1 1 A 16 16 LYS H H 16 8.287 8.529 -0.242 1
1 111 . 15 1 1 A 16 16 LYS HA H 16 4.491 4.426 0.065 1
1 120 . 15 1 1 A 16 16 LYS C C 16 175.117 174.666 0.451 1
1 121 . 15 1 1 A 16 16 LYS CA C 16 54.512 54.896 -0.384 1
1 122 . 15 1 1 A 16 16 LYS CB C 16 32.697 31.526 1.171 1
1 124 . 15 1 1 A 16 16 LYS N N 16 125.369 126.390 -1.021 1
1 125 . 15 1 1 A 17 17 PRO HA H 17 4.247 4.654 -0.407 1
1 132 . 15 1 1 A 17 17 PRO C C 17 176.956 177.077 -0.121 1
1 133 . 15 1 1 A 17 17 PRO CA C 17 63.088 62.801 0.287 1
1 134 . 15 1 1 A 17 17 PRO CB C 17 32.244 31.643 0.601 1
1 137 . 15 1 1 A 18 18 MET H H 18 8.516 8.291 0.225 1
1 138 . 15 1 1 A 18 18 MET HA H 18 4.488 4.503 -0.015 1
1 146 . 15 1 1 A 18 18 MET C C 18 176.759 176.672 0.087 1
1 147 . 15 1 1 A 18 18 MET CA C 18 56.169 55.994 0.175 1
1 148 . 15 1 1 A 18 18 MET CB C 18 35.531 32.390 3.141 1
1 151 . 15 1 1 A 18 18 MET N N 18 121.801 123.630 -1.829 1
1 152 . 15 1 1 A 19 19 SER H H 19 9.100 8.742 0.358 1
1 153 . 15 1 1 A 19 19 SER HA H 19 4.459 4.718 -0.259 1
1 156 . 15 1 1 A 19 19 SER C C 19 175.018 174.808 0.210 1
1 157 . 15 1 1 A 19 19 SER CA C 19 56.894 57.310 -0.416 1
1 158 . 15 1 1 A 19 19 SER CB C 19 65.854 64.950 0.904 1
1 159 . 15 1 1 A 19 19 SER N N 19 119.212 117.979 1.233 1
1 160 . 15 1 1 A 20 20 TYR H H 20 8.959 9.127 -0.168 1
1 161 . 15 1 1 A 20 20 TYR HA H 20 4.029 4.128 -0.099 1
1 168 . 15 1 1 A 20 20 TYR C C 20 177.960 177.495 0.465 1
1 169 . 15 1 1 A 20 20 TYR CA C 20 62.463 62.483 -0.020 1
1 170 . 15 1 1 A 20 20 TYR CB C 20 38.009 38.593 -0.584 1
1 175 . 15 1 1 A 20 20 TYR N N 20 121.218 126.051 -4.833 1
1 176 . 15 1 1 A 21 21 GLU H H 21 8.825 8.388 0.437 1
1 177 . 15 1 1 A 21 21 GLU HA H 21 3.811 3.627 0.184 1
1 182 . 15 1 1 A 21 21 GLU C C 21 179.481 179.183 0.298 1
1 183 . 15 1 1 A 21 21 GLU CA C 21 59.951 59.987 -0.036 1
1 184 . 15 1 1 A 21 21 GLU CB C 21 28.823 29.117 -0.294 1
1 186 . 15 1 1 A 21 21 GLU N N 21 118.696 117.876 0.820 1
1 187 . 15 1 1 A 22 22 GLU H H 22 7.771 8.074 -0.303 1
1 188 . 15 1 1 A 22 22 GLU HA H 22 3.899 4.131 -0.232 1
1 193 . 15 1 1 A 22 22 GLU C C 22 179.680 179.294 0.386 1
1 194 . 15 1 1 A 22 22 GLU CA C 22 59.498 59.128 0.370 1
1 195 . 15 1 1 A 22 22 GLU CB C 22 30.385 29.583 0.802 1
1 197 . 15 1 1 A 22 22 GLU N N 22 120.141 120.892 -0.751 1
1 198 . 15 1 1 A 23 23 LYS H H 23 8.101 7.759 0.342 1
1 199 . 15 1 1 A 23 23 LYS HA H 23 3.662 4.075 -0.413 1
1 208 . 15 1 1 A 23 23 LYS C C 23 178.250 179.069 -0.819 1
1 209 . 15 1 1 A 23 23 LYS CA C 23 60.345 60.013 0.332 1
1 210 . 15 1 1 A 23 23 LYS CB C 23 32.611 32.303 0.308 1
1 214 . 15 1 1 A 23 23 LYS N N 23 120.594 119.271 1.323 1
1 215 . 15 1 1 A 24 24 ARG H H 24 8.030 7.755 0.275 1
1 216 . 15 1 1 A 24 24 ARG HA H 24 3.721 3.709 0.012 1
1 223 . 15 1 1 A 24 24 ARG C C 24 178.992 178.432 0.560 1
1 224 . 15 1 1 A 24 24 ARG CA C 24 59.055 59.258 -0.203 1
1 225 . 15 1 1 A 24 24 ARG CB C 24 29.623 29.738 -0.115 1
1 228 . 15 1 1 A 24 24 ARG N N 24 120.100 118.817 1.283 1
1 229 . 15 1 1 A 25 25 GLN H H 25 7.940 7.664 0.276 1
1 230 . 15 1 1 A 25 25 GLN HA H 25 3.706 3.971 -0.265 1
1 237 . 15 1 1 A 25 25 GLN C C 25 177.078 177.939 -0.861 1
1 238 . 15 1 1 A 25 25 GLN CA C 25 58.104 58.708 -0.604 1
1 239 . 15 1 1 A 25 25 GLN CB C 25 28.294 28.116 0.178 1
1 241 . 15 1 1 A 25 25 GLN N N 25 118.586 119.490 -0.904 1
1 243 . 15 1 1 A 26 26 LEU H H 26 7.843 8.108 -0.265 1
1 244 . 15 1 1 A 26 26 LEU HA H 26 4.182 4.125 0.057 1
1 254 . 15 1 1 A 26 26 LEU C C 26 178.116 178.587 -0.471 1
1 255 . 15 1 1 A 26 26 LEU CA C 26 57.867 57.825 0.042 1
1 256 . 15 1 1 A 26 26 LEU CB C 26 41.167 41.345 -0.178 1
1 259 . 15 1 1 A 26 26 LEU N N 26 119.570 121.556 -1.986 1
1 260 . 15 1 1 A 27 27 SER H H 27 7.710 7.565 0.145 1
1 261 . 15 1 1 A 27 27 SER HA H 27 3.869 4.279 -0.410 1
1 264 . 15 1 1 A 27 27 SER C C 27 176.845 177.455 -0.610 1
1 265 . 15 1 1 A 27 27 SER CA C 27 61.478 61.277 0.201 1
1 266 . 15 1 1 A 27 27 SER CB C 27 62.828 62.607 0.221 1
1 267 . 15 1 1 A 27 27 SER N N 27 112.126 114.546 -2.420 1
1 268 . 15 1 1 A 28 28 LEU H H 28 7.613 8.311 -0.698 1
1 269 . 15 1 1 A 28 28 LEU HA H 28 3.954 3.935 0.019 1
1 279 . 15 1 1 A 28 28 LEU C C 28 180.044 178.811 1.233 1
1 280 . 15 1 1 A 28 28 LEU CA C 28 57.862 57.946 -0.084 1
1 281 . 15 1 1 A 28 28 LEU CB C 28 41.703 41.231 0.472 1
1 285 . 15 1 1 A 28 28 LEU N N 28 120.774 121.608 -0.834 1
1 286 . 15 1 1 A 29 29 ASP H H 29 8.476 7.943 0.533 1
1 287 . 15 1 1 A 29 29 ASP HA H 29 4.236 4.434 -0.198 1
1 290 . 15 1 1 A 29 29 ASP C C 29 179.532 179.108 0.424 1
1 291 . 15 1 1 A 29 29 ASP CA C 29 57.618 57.261 0.357 1
1 292 . 15 1 1 A 29 29 ASP CB C 29 40.447 40.828 -0.381 1
1 293 . 15 1 1 A 29 29 ASP N N 29 120.971 119.905 1.066 1
1 294 . 15 1 1 A 30 30 ILE H H 30 8.558 7.890 0.668 1
1 295 . 15 1 1 A 30 30 ILE HA H 30 3.564 3.794 -0.230 1
1 305 . 15 1 1 A 30 30 ILE C C 30 178.098 178.274 -0.176 1
1 306 . 15 1 1 A 30 30 ILE CA C 30 65.616 64.983 0.633 1
1 307 . 15 1 1 A 30 30 ILE CB C 30 37.697 37.433 0.264 1
1 311 . 15 1 1 A 30 30 ILE N N 30 120.240 121.595 -1.355 1
1 312 . 15 1 1 A 31 31 ASN H H 31 7.350 8.312 -0.962 1
1 313 . 15 1 1 A 31 31 ASN HA H 31 4.560 4.536 0.024 1
1 318 . 15 1 1 A 31 31 ASN C C 31 175.952 176.848 -0.896 1
1 319 . 15 1 1 A 31 31 ASN CA C 31 54.997 56.323 -1.326 1
1 320 . 15 1 1 A 31 31 ASN CB C 31 38.769 38.271 0.498 1
1 321 . 15 1 1 A 31 31 ASN N N 31 115.285 119.218 -3.933 1
1 323 . 15 1 1 A 32 32 LYS H H 32 7.509 7.394 0.115 1
1 324 . 15 1 1 A 32 32 LYS HA H 32 4.286 4.343 -0.057 1
1 333 . 15 1 1 A 32 32 LYS C C 32 177.232 176.567 0.665 1
1 334 . 15 1 1 A 32 32 LYS CA C 32 56.330 56.486 -0.156 1
1 335 . 15 1 1 A 32 32 LYS CB C 32 33.570 32.951 0.619 1
1 339 . 15 1 1 A 32 32 LYS N N 32 117.496 117.010 0.486 1
1 340 . 15 1 1 A 33 33 LEU H H 33 7.455 7.453 0.002 1
1 341 . 15 1 1 A 33 33 LEU HA H 33 4.265 4.459 -0.194 1
1 351 . 15 1 1 A 33 33 LEU CA C 33 53.436 52.893 0.543 1
1 352 . 15 1 1 A 33 33 LEU CB C 33 41.464 41.683 -0.219 1
1 356 . 15 1 1 A 33 33 LEU N N 33 120.501 121.213 -0.712 1
1 357 . 15 1 1 A 34 34 PRO HA H 34 4.561 4.623 -0.062 1
1 364 . 15 1 1 A 34 34 PRO C C 34 178.359 177.899 0.460 1
1 365 . 15 1 1 A 34 34 PRO CA C 34 62.251 62.450 -0.199 1
1 366 . 15 1 1 A 34 34 PRO CB C 34 32.489 32.522 -0.033 1
1 369 . 15 1 1 A 35 35 GLY H H 35 8.865 8.714 0.151 1
1 370 . 15 1 1 A 35 35 GLY HA2 H 35 3.709 3.827 -0.118 1
1 371 . 15 1 1 A 35 35 GLY HA3 H 35 4.005 3.833 0.172 1
1 372 . 15 1 1 A 35 35 GLY C C 35 176.845 175.625 1.220 1
1 373 . 15 1 1 A 35 35 GLY CA C 35 48.165 47.254 0.911 1
1 374 . 15 1 1 A 35 35 GLY N N 35 109.986 110.407 -0.421 1
1 375 . 15 1 1 A 36 36 GLU H H 36 9.360 8.282 1.078 1
1 376 . 15 1 1 A 36 36 GLU HA H 36 4.233 4.048 0.185 1
1 381 . 15 1 1 A 36 36 GLU C C 36 178.326 177.670 0.656 1
1 382 . 15 1 1 A 36 36 GLU CA C 36 58.964 59.217 -0.253 1
1 383 . 15 1 1 A 36 36 GLU CB C 36 28.689 29.583 -0.894 1
1 385 . 15 1 1 A 36 36 GLU N N 36 119.485 121.529 -2.044 1
1 386 . 15 1 1 A 37 37 LYS H H 37 7.734 7.918 -0.184 1
1 387 . 15 1 1 A 37 37 LYS HA H 37 4.516 4.556 -0.040 1
1 396 . 15 1 1 A 37 37 LYS C C 37 178.698 177.780 0.918 1
1 397 . 15 1 1 A 37 37 LYS CA C 37 55.977 56.116 -0.139 1
1 398 . 15 1 1 A 37 37 LYS CB C 37 32.981 33.222 -0.241 1
1 402 . 15 1 1 A 37 37 LYS N N 37 116.668 117.420 -0.752 1
1 403 . 15 1 1 A 38 38 LEU H H 38 7.882 7.756 0.126 1
1 404 . 15 1 1 A 38 38 LEU HA H 38 4.103 4.073 0.030 1
1 414 . 15 1 1 A 38 38 LEU C C 38 179.042 178.456 0.586 1
1 415 . 15 1 1 A 38 38 LEU CA C 38 57.832 57.722 0.110 1
1 416 . 15 1 1 A 38 38 LEU CB C 38 41.753 41.854 -0.101 1
1 420 . 15 1 1 A 38 38 LEU N N 38 121.898 122.018 -0.120 1
1 421 . 15 1 1 A 39 39 GLY H H 39 8.212 8.029 0.183 1
1 422 . 15 1 1 A 39 39 GLY HA2 H 39 3.720 3.801 -0.081 1
1 423 . 15 1 1 A 39 39 GLY HA3 H 39 3.853 3.809 0.044 1
1 424 . 15 1 1 A 39 39 GLY C C 39 176.507 175.539 0.968 1
1 425 . 15 1 1 A 39 39 GLY CA C 39 47.218 47.024 0.194 1
1 426 . 15 1 1 A 39 39 GLY N N 39 106.042 106.518 -0.476 1
1 427 . 15 1 1 A 40 40 ARG H H 40 7.416 8.162 -0.746 1
1 428 . 15 1 1 A 40 40 ARG HA H 40 4.031 4.015 0.016 1
1 435 . 15 1 1 A 40 40 ARG C C 40 177.974 178.325 -0.351 1
1 436 . 15 1 1 A 40 40 ARG CA C 40 57.460 58.812 -1.352 1
1 437 . 15 1 1 A 40 40 ARG CB C 40 29.051 29.834 -0.783 1
1 440 . 15 1 1 A 40 40 ARG N N 40 120.046 121.961 -1.915 1
1 441 . 15 1 1 A 41 41 VAL H H 41 7.417 7.923 -0.506 1
1 442 . 15 1 1 A 41 41 VAL HA H 41 3.285 3.302 -0.017 1
1 450 . 15 1 1 A 41 41 VAL C C 41 177.090 177.854 -0.764 1
1 451 . 15 1 1 A 41 41 VAL CA C 41 66.979 66.314 0.665 1
1 452 . 15 1 1 A 41 41 VAL CB C 41 31.059 31.630 -0.571 1
1 455 . 15 1 1 A 41 41 VAL N N 41 119.285 119.265 0.020 1
1 456 . 15 1 1 A 42 42 VAL H H 42 7.493 7.472 0.021 1
1 457 . 15 1 1 A 42 42 VAL HA H 42 3.395 3.574 -0.179 1
1 465 . 15 1 1 A 42 42 VAL C C 42 177.200 178.414 -1.214 1
1 466 . 15 1 1 A 42 42 VAL CA C 42 66.764 66.390 0.374 1
1 467 . 15 1 1 A 42 42 VAL CB C 42 31.296 31.365 -0.069 1
1 470 . 15 1 1 A 42 42 VAL N N 42 116.606 119.680 -3.074 1
1 471 . 15 1 1 A 43 43 HIS H H 43 7.602 7.955 -0.353 1
1 472 . 15 1 1 A 43 43 HIS HA H 43 4.264 4.233 0.031 1
1 477 . 15 1 1 A 43 43 HIS C C 43 178.854 177.837 1.017 1
1 478 . 15 1 1 A 43 43 HIS CA C 43 59.824 59.600 0.224 1
1 479 . 15 1 1 A 43 43 HIS CB C 43 30.605 29.586 1.019 1
1 482 . 15 1 1 A 43 43 HIS N N 43 118.867 118.048 0.819 1
1 483 . 15 1 1 A 44 44 ILE H H 44 8.344 7.837 0.507 1
1 484 . 15 1 1 A 44 44 ILE HA H 44 3.375 3.595 -0.220 1
1 494 . 15 1 1 A 44 44 ILE C C 44 178.054 178.133 -0.079 1
1 495 . 15 1 1 A 44 44 ILE CA C 44 65.922 64.323 1.599 1
1 496 . 15 1 1 A 44 44 ILE CB C 44 37.950 37.423 0.527 1
1 500 . 15 1 1 A 44 44 ILE N N 44 121.530 119.815 1.715 1
1 501 . 15 1 1 A 45 45 ILE H H 45 7.604 7.697 -0.093 1
1 502 . 15 1 1 A 45 45 ILE HA H 45 3.311 3.447 -0.136 1
1 512 . 15 1 1 A 45 45 ILE C C 45 177.378 177.585 -0.207 1
1 513 . 15 1 1 A 45 45 ILE CA C 45 66.577 65.184 1.393 1
1 514 . 15 1 1 A 45 45 ILE CB C 45 38.168 37.405 0.763 1
1 518 . 15 1 1 A 45 45 ILE N N 45 117.572 120.820 -3.248 1
1 519 . 15 1 1 A 46 46 GLN H H 46 8.626 8.066 0.560 1
1 520 . 15 1 1 A 46 46 GLN HA H 46 3.719 3.954 -0.235 1
1 527 . 15 1 1 A 46 46 GLN C C 46 177.483 178.228 -0.745 1
1 528 . 15 1 1 A 46 46 GLN CA C 46 59.443 58.751 0.692 1
1 529 . 15 1 1 A 46 46 GLN CB C 46 28.832 28.102 0.730 1
1 531 . 15 1 1 A 46 46 GLN N N 46 115.916 118.842 -2.926 1
1 533 . 15 1 1 A 47 47 SER H H 47 7.862 7.722 0.140 1
1 534 . 15 1 1 A 47 47 SER HA H 47 4.064 4.081 -0.017 1
1 537 . 15 1 1 A 47 47 SER C C 47 175.615 175.329 0.286 1
1 538 . 15 1 1 A 47 47 SER CA C 47 60.602 61.002 -0.400 1
1 539 . 15 1 1 A 47 47 SER CB C 47 63.313 63.097 0.216 1
1 540 . 15 1 1 A 47 47 SER N N 47 110.902 115.414 -4.512 1
1 541 . 15 1 1 A 48 48 ARG H H 48 7.362 7.929 -0.567 1
1 542 . 15 1 1 A 48 48 ARG HA H 48 4.306 4.374 -0.068 1
1 549 . 15 1 1 A 48 48 ARG C C 48 176.365 176.028 0.337 1
1 550 . 15 1 1 A 48 48 ARG CA C 48 55.992 56.658 -0.666 1
1 551 . 15 1 1 A 48 48 ARG CB C 48 33.000 31.275 1.725 1
1 554 . 15 1 1 A 48 48 ARG N N 48 118.403 118.014 0.389 1
1 555 . 15 1 1 A 49 49 GLU H H 49 7.714 7.765 -0.051 1
1 556 . 15 1 1 A 49 49 GLU HA H 49 4.806 4.761 0.045 1
1 561 . 15 1 1 A 49 49 GLU C C 49 174.213 174.814 -0.601 1
1 562 . 15 1 1 A 49 49 GLU CA C 49 52.903 53.770 -0.867 1
1 563 . 15 1 1 A 49 49 GLU CB C 49 28.835 30.211 -1.376 1
1 565 . 15 1 1 A 49 49 GLU N N 49 118.387 118.697 -0.310 1
1 566 . 15 1 1 A 50 50 PRO HA H 50 4.273 4.219 0.054 1
1 573 . 15 1 1 A 50 50 PRO C C 50 178.412 177.811 0.601 1
1 574 . 15 1 1 A 50 50 PRO CA C 50 64.641 65.238 -0.597 1
1 575 . 15 1 1 A 50 50 PRO CB C 50 32.045 32.156 -0.111 1
1 578 . 15 1 1 A 51 51 SER H H 51 8.290 8.162 0.128 1
1 579 . 15 1 1 A 51 51 SER HA H 51 4.271 4.309 -0.038 1
1 582 . 15 1 1 A 51 51 SER C C 51 175.130 174.963 0.167 1
1 583 . 15 1 1 A 51 51 SER CA C 51 59.824 60.483 -0.659 1
1 584 . 15 1 1 A 51 51 SER CB C 51 63.071 63.090 -0.019 1
1 585 . 15 1 1 A 51 51 SER N N 51 112.214 112.803 -0.589 1
1 586 . 15 1 1 A 52 52 LEU H H 52 7.882 7.596 0.286 1
1 587 . 15 1 1 A 52 52 LEU HA H 52 4.479 4.307 0.172 1
1 597 . 15 1 1 A 52 52 LEU C C 52 177.843 176.346 1.497 1
1 598 . 15 1 1 A 52 52 LEU CA C 52 54.734 54.314 0.420 1
1 599 . 15 1 1 A 52 52 LEU CB C 52 42.500 41.990 0.510 1
1 603 . 15 1 1 A 52 52 LEU N N 52 121.800 117.934 3.866 1
1 604 . 15 1 1 A 53 53 LYS H H 53 7.638 7.183 0.455 1
1 605 . 15 1 1 A 53 53 LYS HA H 53 4.022 3.723 0.299 1
1 614 . 15 1 1 A 53 53 LYS C C 53 176.270 177.199 -0.929 1
1 615 . 15 1 1 A 53 53 LYS CA C 53 58.288 57.373 0.915 1
1 616 . 15 1 1 A 53 53 LYS CB C 53 32.924 32.600 0.324 1
1 620 . 15 1 1 A 53 53 LYS N N 53 121.559 121.190 0.369 1
1 621 . 15 1 1 A 54 54 ASN H H 54 8.266 8.839 -0.573 1
1 622 . 15 1 1 A 54 54 ASN HA H 54 4.732 4.313 0.419 1
1 627 . 15 1 1 A 54 54 ASN C C 54 175.097 174.775 0.322 1
1 628 . 15 1 1 A 54 54 ASN CA C 54 53.020 55.112 -2.092 1
1 629 . 15 1 1 A 54 54 ASN CB C 54 38.863 36.496 2.367 1
1 630 . 15 1 1 A 54 54 ASN N N 54 116.053 118.805 -2.752 1
1 632 . 15 1 1 A 55 55 SER H H 55 7.692 7.435 0.257 1
1 633 . 15 1 1 A 55 55 SER HA H 55 4.288 4.481 -0.193 1
1 636 . 15 1 1 A 55 55 SER C C 55 173.418 173.588 -0.170 1
1 637 . 15 1 1 A 55 55 SER CA C 55 58.900 58.951 -0.051 1
1 638 . 15 1 1 A 55 55 SER CB C 55 63.914 64.439 -0.525 1
1 639 . 15 1 1 A 55 55 SER N N 55 115.901 116.430 -0.529 1
1 640 . 15 1 1 A 56 56 ASN H H 56 8.574 8.581 -0.007 1
1 641 . 15 1 1 A 56 56 ASN HA H 56 4.857 5.079 -0.222 1
1 646 . 15 1 1 A 56 56 ASN C C 56 174.843 175.273 -0.430 1
1 647 . 15 1 1 A 56 56 ASN CA C 56 50.974 50.518 0.456 1
1 648 . 15 1 1 A 56 56 ASN CB C 56 38.744 39.623 -0.879 1
1 649 . 15 1 1 A 56 56 ASN N N 56 122.245 121.919 0.326 1
1 651 . 15 1 1 A 57 57 PRO HA H 57 4.079 4.252 -0.173 1
1 658 . 15 1 1 A 57 57 PRO C C 57 176.856 177.861 -1.005 1
1 659 . 15 1 1 A 57 57 PRO CA C 57 64.733 65.287 -0.554 1
1 660 . 15 1 1 A 57 57 PRO CB C 57 31.968 31.591 0.377 1
1 663 . 15 1 1 A 58 58 ASP H H 58 8.024 8.425 -0.401 1
1 664 . 15 1 1 A 58 58 ASP HA H 58 4.445 4.410 0.035 1
1 667 . 15 1 1 A 58 58 ASP C C 58 176.369 177.678 -1.309 1
1 668 . 15 1 1 A 58 58 ASP CA C 58 55.247 55.983 -0.736 1
1 669 . 15 1 1 A 58 58 ASP CB C 58 40.828 40.262 0.566 1
1 670 . 15 1 1 A 58 58 ASP N N 58 114.883 116.839 -1.956 1
1 671 . 15 1 1 A 59 59 GLU H H 59 7.663 7.771 -0.108 1
1 672 . 15 1 1 A 59 59 GLU HA H 59 4.341 4.345 -0.004 1
1 677 . 15 1 1 A 59 59 GLU C C 59 175.690 176.689 -0.999 1
1 678 . 15 1 1 A 59 59 GLU CA C 59 55.425 57.351 -1.926 1
1 679 . 15 1 1 A 59 59 GLU CB C 59 31.140 30.137 1.003 1
1 681 . 15 1 1 A 59 59 GLU N N 59 117.763 117.251 0.512 1
1 682 . 15 1 1 A 60 60 ILE H H 60 7.457 7.269 0.188 1
1 683 . 15 1 1 A 60 60 ILE HA H 60 3.962 4.056 -0.094 1
1 693 . 15 1 1 A 60 60 ILE C C 60 174.951 175.156 -0.205 1
1 694 . 15 1 1 A 60 60 ILE CA C 60 61.416 60.959 0.457 1
1 695 . 15 1 1 A 60 60 ILE CB C 60 38.693 38.850 -0.157 1
1 699 . 15 1 1 A 60 60 ILE N N 60 120.600 120.245 0.355 1
1 700 . 15 1 1 A 61 61 GLU H H 61 8.267 8.816 -0.549 1
1 701 . 15 1 1 A 61 61 GLU HA H 61 4.333 4.929 -0.596 1
1 706 . 15 1 1 A 61 61 GLU C C 61 175.576 175.556 0.020 1
1 707 . 15 1 1 A 61 61 GLU CA C 61 55.085 54.945 0.140 1
1 708 . 15 1 1 A 61 61 GLU CB C 61 30.717 31.632 -0.915 1
1 710 . 15 1 1 A 61 61 GLU N N 61 126.935 125.717 1.218 1
1 711 . 15 1 1 A 62 62 ILE H H 62 8.425 8.814 -0.389 1
1 712 . 15 1 1 A 62 62 ILE HA H 62 3.570 4.147 -0.577 1
1 722 . 15 1 1 A 62 62 ILE C C 62 174.594 175.165 -0.571 1
1 723 . 15 1 1 A 62 62 ILE CA C 62 61.570 62.172 -0.602 1
1 724 . 15 1 1 A 62 62 ILE CB C 62 38.187 38.156 0.031 1
1 728 . 15 1 1 A 62 62 ILE N N 62 124.857 126.243 -1.386 1
1 729 . 15 1 1 A 63 63 ASP H H 63 8.459 8.342 0.117 1
1 730 . 15 1 1 A 63 63 ASP HA H 63 4.691 5.416 -0.725 1
1 733 . 15 1 1 A 63 63 ASP C C 63 177.284 176.225 1.059 1
1 734 . 15 1 1 A 63 63 ASP CA C 63 52.272 52.648 -0.376 1
1 735 . 15 1 1 A 63 63 ASP CB C 63 41.160 41.609 -0.449 1
1 736 . 15 1 1 A 63 63 ASP N N 63 126.597 127.832 -1.235 1
1 737 . 15 1 1 A 64 64 PHE H H 64 8.609 8.598 0.011 1
1 738 . 15 1 1 A 64 64 PHE HA H 64 4.016 4.186 -0.170 1
1 746 . 15 1 1 A 64 64 PHE C C 64 177.010 178.137 -1.127 1
1 747 . 15 1 1 A 64 64 PHE CA C 64 59.795 60.828 -1.033 1
1 748 . 15 1 1 A 64 64 PHE CB C 64 38.084 38.414 -0.330 1
1 754 . 15 1 1 A 64 64 PHE N N 64 123.270 124.745 -1.475 1
1 755 . 15 1 1 A 65 65 GLU H H 65 8.317 9.051 -0.734 1
1 756 . 15 1 1 A 65 65 GLU HA H 65 4.171 4.269 -0.098 1
1 761 . 15 1 1 A 65 65 GLU C C 65 177.913 177.470 0.443 1
1 762 . 15 1 1 A 65 65 GLU CA C 65 57.524 58.442 -0.918 1
1 763 . 15 1 1 A 65 65 GLU CB C 65 29.440 28.136 1.304 1
1 765 . 15 1 1 A 65 65 GLU N N 65 114.355 116.955 -2.600 1
1 766 . 15 1 1 A 66 66 THR H H 66 7.388 7.238 0.150 1
1 767 . 15 1 1 A 66 66 THR HA H 66 4.396 4.590 -0.194 1
1 772 . 15 1 1 A 66 66 THR C C 66 174.662 174.934 -0.272 1
1 773 . 15 1 1 A 66 66 THR CA C 66 61.316 61.658 -0.342 1
1 774 . 15 1 1 A 66 66 THR CB C 66 69.711 70.722 -1.011 1
1 776 . 15 1 1 A 66 66 THR N N 66 106.424 107.056 -0.632 1
1 777 . 15 1 1 A 67 67 LEU H H 67 6.677 7.143 -0.466 1
1 778 . 15 1 1 A 67 67 LEU HA H 67 4.350 4.196 0.154 1
1 788 . 15 1 1 A 67 67 LEU C C 67 176.647 177.186 -0.539 1
1 789 . 15 1 1 A 67 67 LEU CA C 67 54.104 55.305 -1.201 1
1 790 . 15 1 1 A 67 67 LEU CB C 67 43.365 42.097 1.268 1
1 794 . 15 1 1 A 67 67 LEU N N 67 120.589 124.456 -3.867 1
1 795 . 15 1 1 A 68 68 LYS H H 68 9.947 8.643 1.304 1
1 796 . 15 1 1 A 68 68 LYS HA H 68 4.387 4.407 -0.020 1
1 805 . 15 1 1 A 68 68 LYS C C 68 176.786 176.786 0.000 1
1 806 . 15 1 1 A 68 68 LYS CA C 68 55.574 54.629 0.945 1
1 807 . 15 1 1 A 68 68 LYS CB C 68 31.897 31.956 -0.059 1
1 811 . 15 1 1 A 68 68 LYS N N 68 123.363 121.571 1.792 1
1 812 . 15 1 1 A 69 69 PRO HA H 69 4.091 4.362 -0.271 1
1 819 . 15 1 1 A 69 69 PRO C C 69 178.646 178.088 0.558 1
1 820 . 15 1 1 A 69 69 PRO CA C 69 66.153 65.001 1.152 1
1 821 . 15 1 1 A 69 69 PRO CB C 69 31.985 32.145 -0.160 1
1 824 . 15 1 1 A 70 70 SER H H 70 8.490 8.167 0.323 1
1 825 . 15 1 1 A 70 70 SER HA H 70 4.231 4.235 -0.004 1
1 828 . 15 1 1 A 70 70 SER C C 70 177.784 177.372 0.412 1
1 829 . 15 1 1 A 70 70 SER CA C 70 60.787 61.018 -0.231 1
1 830 . 15 1 1 A 70 70 SER CB C 70 61.797 62.621 -0.824 1
1 831 . 15 1 1 A 70 70 SER N N 70 109.802 112.826 -3.024 1
1 832 . 15 1 1 A 71 71 THR H H 71 7.340 7.809 -0.469 1
1 833 . 15 1 1 A 71 71 THR HA H 71 3.735 3.905 -0.170 1
1 838 . 15 1 1 A 71 71 THR C C 71 176.072 176.504 -0.432 1
1 839 . 15 1 1 A 71 71 THR CA C 71 65.913 66.861 -0.948 1
1 840 . 15 1 1 A 71 71 THR CB C 71 67.239 67.912 -0.673 1
1 842 . 15 1 1 A 71 71 THR N N 71 122.295 117.308 4.987 1
1 843 . 15 1 1 A 72 72 LEU H H 72 7.839 8.162 -0.323 1
1 844 . 15 1 1 A 72 72 LEU HA H 72 3.713 3.894 -0.181 1
1 854 . 15 1 1 A 72 72 LEU C C 72 178.998 179.418 -0.420 1
1 855 . 15 1 1 A 72 72 LEU CA C 72 58.622 57.953 0.669 1
1 856 . 15 1 1 A 72 72 LEU CB C 72 40.911 41.298 -0.387 1
1 859 . 15 1 1 A 72 72 LEU N N 72 120.539 121.008 -0.469 1
1 860 . 15 1 1 A 73 73 ARG H H 73 8.244 8.053 0.191 1
1 861 . 15 1 1 A 73 73 ARG HA H 73 4.100 3.846 0.254 1
1 869 . 15 1 1 A 73 73 ARG C C 73 178.935 178.472 0.463 1
1 870 . 15 1 1 A 73 73 ARG CA C 73 57.649 59.383 -1.734 1
1 871 . 15 1 1 A 73 73 ARG CB C 73 28.923 29.913 -0.990 1
1 874 . 15 1 1 A 73 73 ARG N N 73 115.473 119.629 -4.156 1
1 876 . 15 1 1 A 74 74 GLU H H 74 7.758 7.523 0.235 1
1 877 . 15 1 1 A 74 74 GLU HA H 74 4.139 4.110 0.029 1
1 882 . 15 1 1 A 74 74 GLU C C 74 179.640 179.908 -0.268 1
1 883 . 15 1 1 A 74 74 GLU CA C 74 59.519 58.898 0.621 1
1 884 . 15 1 1 A 74 74 GLU CB C 74 28.670 30.135 -1.465 1
1 886 . 15 1 1 A 74 74 GLU N N 74 122.400 119.560 2.840 1
1 887 . 15 1 1 A 75 75 LEU H H 75 8.387 8.132 0.255 1
1 888 . 15 1 1 A 75 75 LEU HA H 75 4.070 4.043 0.027 1
1 898 . 15 1 1 A 75 75 LEU C C 75 178.024 178.839 -0.815 1
1 899 . 15 1 1 A 75 75 LEU CA C 75 58.147 58.105 0.042 1
1 900 . 15 1 1 A 75 75 LEU CB C 75 42.673 41.504 1.169 1
1 904 . 15 1 1 A 75 75 LEU N N 75 119.699 120.558 -0.859 1
1 905 . 15 1 1 A 76 76 GLU H H 76 8.537 8.725 -0.188 1
1 906 . 15 1 1 A 76 76 GLU HA H 76 3.751 3.933 -0.182 1
1 911 . 15 1 1 A 76 76 GLU C C 76 178.799 179.385 -0.586 1
1 912 . 15 1 1 A 76 76 GLU CA C 76 59.871 60.044 -0.173 1
1 913 . 15 1 1 A 76 76 GLU CB C 76 30.145 29.125 1.020 1
1 915 . 15 1 1 A 76 76 GLU N N 76 120.074 120.130 -0.056 1
1 916 . 15 1 1 A 77 77 ARG H H 77 8.032 7.856 0.176 1
1 917 . 15 1 1 A 77 77 ARG HA H 77 3.934 4.113 -0.179 1
1 924 . 15 1 1 A 77 77 ARG C C 77 179.220 178.490 0.730 1
1 925 . 15 1 1 A 77 77 ARG CA C 77 59.974 58.974 1.000 1
1 926 . 15 1 1 A 77 77 ARG CB C 77 30.413 29.733 0.680 1
1 929 . 15 1 1 A 77 77 ARG N N 77 120.100 118.937 1.163 1
1 930 . 15 1 1 A 78 78 TYR H H 78 8.084 7.961 0.123 1
1 931 . 15 1 1 A 78 78 TYR HA H 78 4.260 4.134 0.126 1
1 938 . 15 1 1 A 78 78 TYR C C 78 178.620 177.730 0.890 1
1 939 . 15 1 1 A 78 78 TYR CA C 78 61.507 61.372 0.135 1
1 940 . 15 1 1 A 78 78 TYR CB C 78 38.440 38.729 -0.289 1
1 945 . 15 1 1 A 78 78 TYR N N 78 120.327 122.180 -1.853 1
1 946 . 15 1 1 A 79 79 VAL H H 79 9.136 7.982 1.154 1
1 947 . 15 1 1 A 79 79 VAL HA H 79 3.161 3.792 -0.631 1
1 955 . 15 1 1 A 79 79 VAL C C 79 178.067 178.361 -0.294 1
1 956 . 15 1 1 A 79 79 VAL CA C 79 67.306 65.608 1.698 1
1 957 . 15 1 1 A 79 79 VAL CB C 79 31.505 31.677 -0.172 1
1 960 . 15 1 1 A 79 79 VAL N N 79 120.576 119.458 1.118 1
1 961 . 15 1 1 A 80 80 THR H H 80 8.297 8.344 -0.047 1
1 962 . 15 1 1 A 80 80 THR HA H 80 3.721 3.992 -0.271 1
1 967 . 15 1 1 A 80 80 THR C C 80 176.623 175.542 1.081 1
1 968 . 15 1 1 A 80 80 THR CA C 80 66.823 66.090 0.733 1
1 969 . 15 1 1 A 80 80 THR CB C 80 68.508 68.376 0.132 1
1 971 . 15 1 1 A 80 80 THR N N 80 115.107 117.311 -2.204 1
1 972 . 15 1 1 A 81 81 SER H H 81 7.537 7.956 -0.419 1
1 973 . 15 1 1 A 81 81 SER HA H 81 4.165 4.359 -0.194 1
1 976 . 15 1 1 A 81 81 SER C C 81 176.196 175.468 0.728 1
1 977 . 15 1 1 A 81 81 SER CA C 81 61.371 60.240 1.131 1
1 978 . 15 1 1 A 81 81 SER CB C 81 62.826 63.702 -0.876 1
1 979 . 15 1 1 A 81 81 SER N N 81 116.178 117.344 -1.166 1
1 980 . 15 1 1 A 82 82 CYS H H 82 7.523 7.430 0.093 1
1 981 . 15 1 1 A 82 82 CYS HA H 82 4.084 4.286 -0.202 1
1 984 . 15 1 1 A 82 82 CYS C C 82 176.363 177.027 -0.664 1
1 985 . 15 1 1 A 82 82 CYS CA C 82 62.173 61.486 0.687 1
1 986 . 15 1 1 A 82 82 CYS CB C 82 27.872 27.814 0.058 1
1 987 . 15 1 1 A 82 82 CYS N N 82 118.207 119.431 -1.224 1
1 988 . 15 1 1 A 83 83 LEU H H 83 7.652 7.815 -0.163 1
1 989 . 15 1 1 A 83 83 LEU HA H 83 4.216 4.251 -0.035 1
1 999 . 15 1 1 A 83 83 LEU C C 83 177.349 176.598 0.751 1
1 1000 . 15 1 1 A 83 83 LEU CA C 83 55.521 55.873 -0.352 1
1 1001 . 15 1 1 A 83 83 LEU CB C 83 42.550 42.616 -0.066 1
1 1005 . 15 1 1 A 83 83 LEU N N 83 118.141 119.190 -1.049 1
1 1006 . 15 1 1 A 84 84 ARG H H 84 7.754 7.520 0.234 1
1 1007 . 15 1 1 A 84 84 ARG HA H 84 4.153 4.781 -0.628 1
1 1014 . 15 1 1 A 84 84 ARG C C 84 176.300 174.173 2.127 1
1 1015 . 15 1 1 A 84 84 ARG CA C 84 56.829 55.173 1.656 1
1 1016 . 15 1 1 A 84 84 ARG CB C 84 29.926 33.682 -3.756 1
1 1019 . 15 1 1 A 84 84 ARG N N 84 118.881 118.644 0.237 1
1 1020 . 15 1 1 A 85 85 LYS H H 85 7.904 8.785 -0.881 1
1 1021 . 15 1 1 A 85 85 LYS HA H 85 4.178 5.376 -1.198 1
1 1030 . 15 1 1 A 85 85 LYS C C 85 176.549 174.566 1.983 1
1 1031 . 15 1 1 A 85 85 LYS CA C 85 56.514 53.827 2.687 1
1 1032 . 15 1 1 A 85 85 LYS CB C 85 32.931 36.725 -3.794 1
1 1036 . 15 1 1 A 85 85 LYS N N 85 120.528 122.118 -1.590 1
1 1037 . 15 1 1 A 86 86 LYS H H 86 8.139 8.847 -0.708 1
1 1038 . 15 1 1 A 86 86 LYS HA H 86 4.194 4.999 -0.805 1
1 1047 . 15 1 1 A 86 86 LYS C C 86 176.395 175.513 0.882 1
1 1048 . 15 1 1 A 86 86 LYS CA C 86 56.244 54.067 2.177 1
1 1049 . 15 1 1 A 86 86 LYS CB C 86 32.971 35.878 -2.907 1
1 1053 . 15 1 1 A 86 86 LYS N N 86 121.979 119.240 2.739 1
1 1054 . 15 1 1 A 87 87 ARG H H 87 8.242 8.442 -0.200 1
1 1055 . 15 1 1 A 87 87 ARG HA H 87 4.223 4.208 0.015 1
1 1062 . 15 1 1 A 87 87 ARG C C 87 175.989 175.770 0.219 1
1 1063 . 15 1 1 A 87 87 ARG CA C 87 55.953 56.324 -0.371 1
1 1064 . 15 1 1 A 87 87 ARG CB C 87 31.019 30.721 0.298 1
1 1067 . 15 1 1 A 87 87 ARG N N 87 122.606 119.143 3.463 1
1 1068 . 15 1 1 A 88 88 LYS H H 88 8.318 8.867 -0.549 1
1 1069 . 15 1 1 A 88 88 LYS HA H 88 4.506 3.767 0.739 1
1 1074 . 15 1 1 A 88 88 LYS C C 88 174.589 174.936 -0.347 1
1 1075 . 15 1 1 A 88 88 LYS CA C 88 54.349 56.878 -2.529 1
1 1076 . 15 1 1 A 88 88 LYS CB C 88 32.576 30.589 1.987 1
1 1077 . 15 1 1 A 88 88 LYS N N 88 124.253 116.922 7.331 1
1 1078 . 15 1 1 A 89 89 PRO HA H 89 4.327 4.483 -0.156 1
1 1085 . 15 1 1 A 89 89 PRO C C 89 176.044 176.688 -0.644 1
1 1086 . 15 1 1 A 89 89 PRO CA C 89 63.489 63.019 0.470 1
1 1087 . 15 1 1 A 89 89 PRO CB C 89 31.921 31.707 0.214 1
1 1 . 16 1 1 A 4 4 GLY C C 4 174.318 175.025 -0.707 1
1 2 . 16 1 1 A 4 4 GLY CA C 4 45.318 46.806 -1.488 1
1 3 . 16 1 1 A 5 5 SER H H 5 8.211 8.168 0.043 1
1 4 . 16 1 1 A 5 5 SER HA H 5 4.460 4.177 0.283 1
1 7 . 16 1 1 A 5 5 SER C C 5 174.891 173.772 1.119 1
1 8 . 16 1 1 A 5 5 SER CA C 5 58.299 59.248 -0.949 1
1 9 . 16 1 1 A 5 5 SER CB C 5 64.052 61.399 2.653 1
1 10 . 16 1 1 A 5 5 SER N N 5 115.510 113.990 1.520 1
1 11 . 16 1 1 A 6 6 SER H H 6 8.444 8.490 -0.046 1
1 12 . 16 1 1 A 6 6 SER HA H 6 4.428 4.083 0.345 1
1 15 . 16 1 1 A 6 6 SER C C 6 175.096 173.793 1.303 1
1 16 . 16 1 1 A 6 6 SER CA C 6 58.706 60.359 -1.653 1
1 17 . 16 1 1 A 6 6 SER CB C 6 63.920 61.672 2.248 1
1 18 . 16 1 1 A 6 6 SER N N 6 117.613 107.537 10.076 1
1 19 . 16 1 1 A 7 7 GLY H H 7 8.359 8.036 0.323 1
1 20 . 16 1 1 A 7 7 GLY HA2 H 7 3.916 4.125 -0.209 1
1 21 . 16 1 1 A 7 7 GLY HA3 H 7 3.916 4.125 -0.209 1
1 22 . 16 1 1 A 7 7 GLY C C 7 174.309 173.340 0.969 1
1 23 . 16 1 1 A 7 7 GLY CA C 7 45.399 45.934 -0.535 1
1 24 . 16 1 1 A 7 7 GLY N N 7 110.468 107.766 2.702 1
1 25 . 16 1 1 A 8 8 GLU H H 8 8.235 8.364 -0.129 1
1 26 . 16 1 1 A 8 8 GLU HA H 8 4.248 4.943 -0.695 1
1 31 . 16 1 1 A 8 8 GLU C C 8 176.732 174.382 2.350 1
1 32 . 16 1 1 A 8 8 GLU CA C 8 56.630 55.041 1.589 1
1 33 . 16 1 1 A 8 8 GLU CB C 8 30.243 32.339 -2.096 1
1 35 . 16 1 1 A 8 8 GLU N N 8 120.254 117.909 2.345 1
1 36 . 16 1 1 A 9 9 SER H H 9 8.327 8.683 -0.356 1
1 37 . 16 1 1 A 9 9 SER HA H 9 4.385 4.881 -0.496 1
1 40 . 16 1 1 A 9 9 SER C C 9 174.682 174.153 0.529 1
1 41 . 16 1 1 A 9 9 SER CA C 9 58.470 57.831 0.639 1
1 42 . 16 1 1 A 9 9 SER CB C 9 63.742 63.142 0.600 1
1 43 . 16 1 1 A 9 9 SER N N 9 116.213 117.895 -1.682 1
1 44 . 16 1 1 A 10 10 GLU H H 10 8.428 8.800 -0.372 1
1 45 . 16 1 1 A 10 10 GLU HA H 10 4.232 4.354 -0.122 1
1 50 . 16 1 1 A 10 10 GLU C C 10 176.769 179.137 -2.368 1
1 51 . 16 1 1 A 10 10 GLU CA C 10 56.887 58.308 -1.421 1
1 52 . 16 1 1 A 10 10 GLU CB C 10 30.267 30.110 0.157 1
1 54 . 16 1 1 A 10 10 GLU N N 10 122.618 126.285 -3.667 1
1 55 . 16 1 1 A 11 11 GLU H H 11 8.315 8.429 -0.114 1
1 56 . 16 1 1 A 11 11 GLU HA H 11 4.179 4.304 -0.125 1
1 61 . 16 1 1 A 11 11 GLU C C 11 177.182 179.198 -2.016 1
1 62 . 16 1 1 A 11 11 GLU CA C 11 56.896 58.446 -1.550 1
1 63 . 16 1 1 A 11 11 GLU CB C 11 30.317 29.320 0.997 1
1 65 . 16 1 1 A 11 11 GLU N N 11 120.909 120.607 0.302 1
1 66 . 16 1 1 A 12 12 GLU H H 12 8.333 7.941 0.392 1
1 67 . 16 1 1 A 12 12 GLU HA H 12 4.100 4.112 -0.012 1
1 72 . 16 1 1 A 12 12 GLU C C 12 176.860 177.259 -0.399 1
1 73 . 16 1 1 A 12 12 GLU CA C 12 57.495 58.641 -1.146 1
1 74 . 16 1 1 A 12 12 GLU CB C 12 30.221 29.601 0.620 1
1 76 . 16 1 1 A 12 12 GLU N N 12 121.578 120.846 0.732 1
1 77 . 16 1 1 A 13 13 ASP H H 13 8.332 7.528 0.804 1
1 78 . 16 1 1 A 13 13 ASP HA H 13 4.468 4.915 -0.447 1
1 81 . 16 1 1 A 13 13 ASP C C 13 176.833 175.178 1.655 1
1 82 . 16 1 1 A 13 13 ASP CA C 13 54.921 53.930 0.991 1
1 83 . 16 1 1 A 13 13 ASP CB C 13 40.912 42.544 -1.632 1
1 84 . 16 1 1 A 13 13 ASP N N 13 120.147 116.935 3.212 1
1 85 . 16 1 1 A 14 14 LYS H H 14 8.014 7.791 0.223 1
1 86 . 16 1 1 A 14 14 LYS HA H 14 4.204 4.729 -0.525 1
1 95 . 16 1 1 A 14 14 LYS C C 14 176.568 175.396 1.172 1
1 96 . 16 1 1 A 14 14 LYS CA C 14 56.558 54.463 2.095 1
1 97 . 16 1 1 A 14 14 LYS CB C 14 32.598 35.565 -2.967 1
1 101 . 16 1 1 A 14 14 LYS N N 14 120.485 117.458 3.027 1
1 102 . 16 1 1 A 15 15 CYS H H 15 8.013 8.910 -0.897 1
1 103 . 16 1 1 A 15 15 CYS HA H 15 4.304 5.239 -0.935 1
1 106 . 16 1 1 A 15 15 CYS C C 15 173.801 174.566 -0.765 1
1 107 . 16 1 1 A 15 15 CYS CA C 15 58.337 57.763 0.574 1
1 108 . 16 1 1 A 15 15 CYS CB C 15 28.061 29.916 -1.855 1
1 109 . 16 1 1 A 15 15 CYS N N 15 118.099 119.889 -1.790 1
1 110 . 16 1 1 A 16 16 LYS H H 16 8.287 8.573 -0.286 1
1 111 . 16 1 1 A 16 16 LYS HA H 16 4.491 4.463 0.028 1
1 120 . 16 1 1 A 16 16 LYS C C 16 175.117 174.499 0.618 1
1 121 . 16 1 1 A 16 16 LYS CA C 16 54.512 54.963 -0.451 1
1 122 . 16 1 1 A 16 16 LYS CB C 16 32.697 31.449 1.248 1
1 124 . 16 1 1 A 16 16 LYS N N 16 125.369 126.107 -0.738 1
1 125 . 16 1 1 A 17 17 PRO HA H 17 4.247 4.697 -0.450 1
1 132 . 16 1 1 A 17 17 PRO C C 17 176.956 175.611 1.345 1
1 133 . 16 1 1 A 17 17 PRO CA C 17 63.088 62.794 0.294 1
1 134 . 16 1 1 A 17 17 PRO CB C 17 32.244 32.718 -0.474 1
1 137 . 16 1 1 A 18 18 MET H H 18 8.516 8.382 0.134 1
1 138 . 16 1 1 A 18 18 MET HA H 18 4.488 4.864 -0.376 1
1 146 . 16 1 1 A 18 18 MET C C 18 176.759 175.681 1.078 1
1 147 . 16 1 1 A 18 18 MET CA C 18 56.169 54.912 1.257 1
1 148 . 16 1 1 A 18 18 MET CB C 18 35.531 35.758 -0.227 1
1 151 . 16 1 1 A 18 18 MET N N 18 121.801 119.904 1.897 1
1 152 . 16 1 1 A 19 19 SER H H 19 9.100 8.986 0.114 1
1 153 . 16 1 1 A 19 19 SER HA H 19 4.459 4.536 -0.077 1
1 156 . 16 1 1 A 19 19 SER C C 19 175.018 175.093 -0.075 1
1 157 . 16 1 1 A 19 19 SER CA C 19 56.894 58.805 -1.911 1
1 158 . 16 1 1 A 19 19 SER CB C 19 65.854 64.300 1.554 1
1 159 . 16 1 1 A 19 19 SER N N 19 119.212 120.783 -1.571 1
1 160 . 16 1 1 A 20 20 TYR H H 20 8.959 9.241 -0.282 1
1 161 . 16 1 1 A 20 20 TYR HA H 20 4.029 4.131 -0.102 1
1 168 . 16 1 1 A 20 20 TYR C C 20 177.960 177.338 0.622 1
1 169 . 16 1 1 A 20 20 TYR CA C 20 62.463 62.543 -0.080 1
1 170 . 16 1 1 A 20 20 TYR CB C 20 38.009 38.713 -0.704 1
1 175 . 16 1 1 A 20 20 TYR N N 20 121.218 124.357 -3.139 1
1 176 . 16 1 1 A 21 21 GLU H H 21 8.825 8.303 0.522 1
1 177 . 16 1 1 A 21 21 GLU HA H 21 3.811 3.654 0.157 1
1 182 . 16 1 1 A 21 21 GLU C C 21 179.481 179.164 0.317 1
1 183 . 16 1 1 A 21 21 GLU CA C 21 59.951 60.095 -0.144 1
1 184 . 16 1 1 A 21 21 GLU CB C 21 28.823 29.112 -0.289 1
1 186 . 16 1 1 A 21 21 GLU N N 21 118.696 117.834 0.862 1
1 187 . 16 1 1 A 22 22 GLU H H 22 7.771 8.054 -0.283 1
1 188 . 16 1 1 A 22 22 GLU HA H 22 3.899 4.051 -0.152 1
1 193 . 16 1 1 A 22 22 GLU C C 22 179.680 179.231 0.449 1
1 194 . 16 1 1 A 22 22 GLU CA C 22 59.498 59.008 0.490 1
1 195 . 16 1 1 A 22 22 GLU CB C 22 30.385 29.451 0.934 1
1 197 . 16 1 1 A 22 22 GLU N N 22 120.141 120.805 -0.664 1
1 198 . 16 1 1 A 23 23 LYS H H 23 8.101 7.547 0.554 1
1 199 . 16 1 1 A 23 23 LYS HA H 23 3.662 3.646 0.016 1
1 208 . 16 1 1 A 23 23 LYS C C 23 178.250 179.115 -0.865 1
1 209 . 16 1 1 A 23 23 LYS CA C 23 60.345 59.662 0.683 1
1 210 . 16 1 1 A 23 23 LYS CB C 23 32.611 31.982 0.629 1
1 214 . 16 1 1 A 23 23 LYS N N 23 120.594 119.436 1.158 1
1 215 . 16 1 1 A 24 24 ARG H H 24 8.030 7.700 0.330 1
1 216 . 16 1 1 A 24 24 ARG HA H 24 3.721 3.898 -0.177 1
1 223 . 16 1 1 A 24 24 ARG C C 24 178.992 178.655 0.337 1
1 224 . 16 1 1 A 24 24 ARG CA C 24 59.055 59.377 -0.322 1
1 225 . 16 1 1 A 24 24 ARG CB C 24 29.623 29.800 -0.177 1
1 228 . 16 1 1 A 24 24 ARG N N 24 120.100 118.700 1.400 1
1 229 . 16 1 1 A 25 25 GLN H H 25 7.940 7.759 0.181 1
1 230 . 16 1 1 A 25 25 GLN HA H 25 3.706 3.961 -0.255 1
1 237 . 16 1 1 A 25 25 GLN C C 25 177.078 177.804 -0.726 1
1 238 . 16 1 1 A 25 25 GLN CA C 25 58.104 58.651 -0.547 1
1 239 . 16 1 1 A 25 25 GLN CB C 25 28.294 28.101 0.193 1
1 241 . 16 1 1 A 25 25 GLN N N 25 118.586 119.710 -1.124 1
1 243 . 16 1 1 A 26 26 LEU H H 26 7.843 7.893 -0.050 1
1 244 . 16 1 1 A 26 26 LEU HA H 26 4.182 3.972 0.210 1
1 254 . 16 1 1 A 26 26 LEU C C 26 178.116 178.778 -0.662 1
1 255 . 16 1 1 A 26 26 LEU CA C 26 57.867 57.549 0.318 1
1 256 . 16 1 1 A 26 26 LEU CB C 26 41.167 41.403 -0.236 1
1 259 . 16 1 1 A 26 26 LEU N N 26 119.570 121.320 -1.750 1
1 260 . 16 1 1 A 27 27 SER H H 27 7.710 7.632 0.078 1
1 261 . 16 1 1 A 27 27 SER HA H 27 3.869 4.246 -0.377 1
1 264 . 16 1 1 A 27 27 SER C C 27 176.845 177.417 -0.572 1
1 265 . 16 1 1 A 27 27 SER CA C 27 61.478 61.410 0.068 1
1 266 . 16 1 1 A 27 27 SER CB C 27 62.828 62.971 -0.143 1
1 267 . 16 1 1 A 27 27 SER N N 27 112.126 114.983 -2.857 1
1 268 . 16 1 1 A 28 28 LEU H H 28 7.613 8.000 -0.387 1
1 269 . 16 1 1 A 28 28 LEU HA H 28 3.954 3.923 0.031 1
1 279 . 16 1 1 A 28 28 LEU C C 28 180.044 178.693 1.351 1
1 280 . 16 1 1 A 28 28 LEU CA C 28 57.862 58.102 -0.240 1
1 281 . 16 1 1 A 28 28 LEU CB C 28 41.703 41.721 -0.018 1
1 285 . 16 1 1 A 28 28 LEU N N 28 120.774 122.054 -1.280 1
1 286 . 16 1 1 A 29 29 ASP H H 29 8.476 8.043 0.433 1
1 287 . 16 1 1 A 29 29 ASP HA H 29 4.236 4.445 -0.209 1
1 290 . 16 1 1 A 29 29 ASP C C 29 179.532 178.861 0.671 1
1 291 . 16 1 1 A 29 29 ASP CA C 29 57.618 57.365 0.253 1
1 292 . 16 1 1 A 29 29 ASP CB C 29 40.447 40.541 -0.094 1
1 293 . 16 1 1 A 29 29 ASP N N 29 120.971 118.078 2.893 1
1 294 . 16 1 1 A 30 30 ILE H H 30 8.558 8.120 0.438 1
1 295 . 16 1 1 A 30 30 ILE HA H 30 3.564 3.584 -0.020 1
1 305 . 16 1 1 A 30 30 ILE C C 30 178.098 178.132 -0.034 1
1 306 . 16 1 1 A 30 30 ILE CA C 30 65.616 65.633 -0.017 1
1 307 . 16 1 1 A 30 30 ILE CB C 30 37.697 37.774 -0.077 1
1 311 . 16 1 1 A 30 30 ILE N N 30 120.240 121.101 -0.861 1
1 312 . 16 1 1 A 31 31 ASN H H 31 7.350 8.376 -1.026 1
1 313 . 16 1 1 A 31 31 ASN HA H 31 4.560 4.646 -0.086 1
1 318 . 16 1 1 A 31 31 ASN C C 31 175.952 176.191 -0.239 1
1 319 . 16 1 1 A 31 31 ASN CA C 31 54.997 55.325 -0.328 1
1 320 . 16 1 1 A 31 31 ASN CB C 31 38.769 38.291 0.478 1
1 321 . 16 1 1 A 31 31 ASN N N 31 115.285 116.823 -1.538 1
1 323 . 16 1 1 A 32 32 LYS H H 32 7.509 7.625 -0.116 1
1 324 . 16 1 1 A 32 32 LYS HA H 32 4.286 4.418 -0.132 1
1 333 . 16 1 1 A 32 32 LYS C C 32 177.232 176.264 0.968 1
1 334 . 16 1 1 A 32 32 LYS CA C 32 56.330 56.484 -0.154 1
1 335 . 16 1 1 A 32 32 LYS CB C 32 33.570 33.267 0.303 1
1 339 . 16 1 1 A 32 32 LYS N N 32 117.496 117.549 -0.053 1
1 340 . 16 1 1 A 33 33 LEU H H 33 7.455 7.639 -0.184 1
1 341 . 16 1 1 A 33 33 LEU HA H 33 4.265 4.477 -0.212 1
1 351 . 16 1 1 A 33 33 LEU CA C 33 53.436 52.276 1.160 1
1 352 . 16 1 1 A 33 33 LEU CB C 33 41.464 41.885 -0.421 1
1 356 . 16 1 1 A 33 33 LEU N N 33 120.501 120.992 -0.491 1
1 357 . 16 1 1 A 34 34 PRO HA H 34 4.561 4.718 -0.157 1
1 364 . 16 1 1 A 34 34 PRO C C 34 178.359 177.677 0.682 1
1 365 . 16 1 1 A 34 34 PRO CA C 34 62.251 62.275 -0.024 1
1 366 . 16 1 1 A 34 34 PRO CB C 34 32.489 32.849 -0.360 1
1 369 . 16 1 1 A 35 35 GLY H H 35 8.865 8.676 0.189 1
1 370 . 16 1 1 A 35 35 GLY HA2 H 35 3.709 3.836 -0.127 1
1 371 . 16 1 1 A 35 35 GLY HA3 H 35 4.005 3.843 0.162 1
1 372 . 16 1 1 A 35 35 GLY C C 35 176.845 175.561 1.284 1
1 373 . 16 1 1 A 35 35 GLY CA C 35 48.165 47.068 1.097 1
1 374 . 16 1 1 A 35 35 GLY N N 35 109.986 109.250 0.736 1
1 375 . 16 1 1 A 36 36 GLU H H 36 9.360 8.967 0.393 1
1 376 . 16 1 1 A 36 36 GLU HA H 36 4.233 4.123 0.110 1
1 381 . 16 1 1 A 36 36 GLU C C 36 178.326 178.193 0.133 1
1 382 . 16 1 1 A 36 36 GLU CA C 36 58.964 58.609 0.355 1
1 383 . 16 1 1 A 36 36 GLU CB C 36 28.689 27.924 0.765 1
1 385 . 16 1 1 A 36 36 GLU N N 36 119.485 119.802 -0.317 1
1 386 . 16 1 1 A 37 37 LYS H H 37 7.734 7.811 -0.077 1
1 387 . 16 1 1 A 37 37 LYS HA H 37 4.516 4.480 0.036 1
1 396 . 16 1 1 A 37 37 LYS C C 37 178.698 178.899 -0.201 1
1 397 . 16 1 1 A 37 37 LYS CA C 37 55.977 57.488 -1.511 1
1 398 . 16 1 1 A 37 37 LYS CB C 37 32.981 33.178 -0.197 1
1 402 . 16 1 1 A 37 37 LYS N N 37 116.668 119.399 -2.731 1
1 403 . 16 1 1 A 38 38 LEU H H 38 7.882 8.410 -0.528 1
1 404 . 16 1 1 A 38 38 LEU HA H 38 4.103 4.038 0.065 1
1 414 . 16 1 1 A 38 38 LEU C C 38 179.042 178.465 0.577 1
1 415 . 16 1 1 A 38 38 LEU CA C 38 57.832 57.995 -0.163 1
1 416 . 16 1 1 A 38 38 LEU CB C 38 41.753 41.986 -0.233 1
1 420 . 16 1 1 A 38 38 LEU N N 38 121.898 121.415 0.483 1
1 421 . 16 1 1 A 39 39 GLY H H 39 8.212 8.040 0.172 1
1 422 . 16 1 1 A 39 39 GLY HA2 H 39 3.720 3.897 -0.177 1
1 423 . 16 1 1 A 39 39 GLY HA3 H 39 3.853 3.927 -0.074 1
1 424 . 16 1 1 A 39 39 GLY C C 39 176.507 176.414 0.093 1
1 425 . 16 1 1 A 39 39 GLY CA C 39 47.218 46.906 0.312 1
1 426 . 16 1 1 A 39 39 GLY N N 39 106.042 106.649 -0.607 1
1 427 . 16 1 1 A 40 40 ARG H H 40 7.416 7.939 -0.523 1
1 428 . 16 1 1 A 40 40 ARG HA H 40 4.031 4.156 -0.125 1
1 435 . 16 1 1 A 40 40 ARG C C 40 177.974 177.949 0.025 1
1 436 . 16 1 1 A 40 40 ARG CA C 40 57.460 58.694 -1.234 1
1 437 . 16 1 1 A 40 40 ARG CB C 40 29.051 29.669 -0.618 1
1 440 . 16 1 1 A 40 40 ARG N N 40 120.046 122.103 -2.057 1
1 441 . 16 1 1 A 41 41 VAL H H 41 7.417 7.818 -0.401 1
1 442 . 16 1 1 A 41 41 VAL HA H 41 3.285 3.513 -0.228 1
1 450 . 16 1 1 A 41 41 VAL C C 41 177.090 177.714 -0.624 1
1 451 . 16 1 1 A 41 41 VAL CA C 41 66.979 66.266 0.713 1
1 452 . 16 1 1 A 41 41 VAL CB C 41 31.059 31.568 -0.509 1
1 455 . 16 1 1 A 41 41 VAL N N 41 119.285 119.392 -0.107 1
1 456 . 16 1 1 A 42 42 VAL H H 42 7.493 8.187 -0.694 1
1 457 . 16 1 1 A 42 42 VAL HA H 42 3.395 3.649 -0.254 1
1 465 . 16 1 1 A 42 42 VAL C C 42 177.200 177.549 -0.349 1
1 466 . 16 1 1 A 42 42 VAL CA C 42 66.764 65.245 1.519 1
1 467 . 16 1 1 A 42 42 VAL CB C 42 31.296 31.032 0.264 1
1 470 . 16 1 1 A 42 42 VAL N N 42 116.606 119.795 -3.189 1
1 471 . 16 1 1 A 43 43 HIS H H 43 7.602 7.493 0.109 1
1 472 . 16 1 1 A 43 43 HIS HA H 43 4.264 4.245 0.019 1
1 477 . 16 1 1 A 43 43 HIS C C 43 178.854 177.747 1.107 1
1 478 . 16 1 1 A 43 43 HIS CA C 43 59.824 60.051 -0.227 1
1 479 . 16 1 1 A 43 43 HIS CB C 43 30.605 30.572 0.033 1
1 482 . 16 1 1 A 43 43 HIS N N 43 118.867 119.134 -0.267 1
1 483 . 16 1 1 A 44 44 ILE H H 44 8.344 7.692 0.652 1
1 484 . 16 1 1 A 44 44 ILE HA H 44 3.375 3.539 -0.164 1
1 494 . 16 1 1 A 44 44 ILE C C 44 178.054 178.584 -0.530 1
1 495 . 16 1 1 A 44 44 ILE CA C 44 65.922 64.911 1.011 1
1 496 . 16 1 1 A 44 44 ILE CB C 44 37.950 37.706 0.244 1
1 500 . 16 1 1 A 44 44 ILE N N 44 121.530 120.006 1.524 1
1 501 . 16 1 1 A 45 45 ILE H H 45 7.604 7.812 -0.208 1
1 502 . 16 1 1 A 45 45 ILE HA H 45 3.311 3.573 -0.262 1
1 512 . 16 1 1 A 45 45 ILE C C 45 177.378 178.342 -0.964 1
1 513 . 16 1 1 A 45 45 ILE CA C 45 66.577 64.844 1.733 1
1 514 . 16 1 1 A 45 45 ILE CB C 45 38.168 37.366 0.802 1
1 518 . 16 1 1 A 45 45 ILE N N 45 117.572 121.071 -3.499 1
1 519 . 16 1 1 A 46 46 GLN H H 46 8.626 7.998 0.628 1
1 520 . 16 1 1 A 46 46 GLN HA H 46 3.719 4.070 -0.351 1
1 527 . 16 1 1 A 46 46 GLN C C 46 177.483 178.207 -0.724 1
1 528 . 16 1 1 A 46 46 GLN CA C 46 59.443 58.377 1.066 1
1 529 . 16 1 1 A 46 46 GLN CB C 46 28.832 28.569 0.263 1
1 531 . 16 1 1 A 46 46 GLN N N 46 115.916 118.962 -3.046 1
1 533 . 16 1 1 A 47 47 SER H H 47 7.862 7.853 0.009 1
1 534 . 16 1 1 A 47 47 SER HA H 47 4.064 4.195 -0.131 1
1 537 . 16 1 1 A 47 47 SER C C 47 175.615 175.274 0.341 1
1 538 . 16 1 1 A 47 47 SER CA C 47 60.602 60.880 -0.278 1
1 539 . 16 1 1 A 47 47 SER CB C 47 63.313 62.951 0.362 1
1 540 . 16 1 1 A 47 47 SER N N 47 110.902 115.164 -4.262 1
1 541 . 16 1 1 A 48 48 ARG H H 48 7.362 8.090 -0.728 1
1 542 . 16 1 1 A 48 48 ARG HA H 48 4.306 4.465 -0.159 1
1 549 . 16 1 1 A 48 48 ARG C C 48 176.365 175.916 0.449 1
1 550 . 16 1 1 A 48 48 ARG CA C 48 55.992 56.437 -0.445 1
1 551 . 16 1 1 A 48 48 ARG CB C 48 33.000 32.048 0.952 1
1 554 . 16 1 1 A 48 48 ARG N N 48 118.403 118.040 0.363 1
1 555 . 16 1 1 A 49 49 GLU H H 49 7.714 7.707 0.007 1
1 556 . 16 1 1 A 49 49 GLU HA H 49 4.806 4.725 0.081 1
1 561 . 16 1 1 A 49 49 GLU C C 49 174.213 175.009 -0.796 1
1 562 . 16 1 1 A 49 49 GLU CA C 49 52.903 53.340 -0.437 1
1 563 . 16 1 1 A 49 49 GLU CB C 49 28.835 30.236 -1.401 1
1 565 . 16 1 1 A 49 49 GLU N N 49 118.387 119.360 -0.973 1
1 566 . 16 1 1 A 50 50 PRO HA H 50 4.273 4.312 -0.039 1
1 573 . 16 1 1 A 50 50 PRO C C 50 178.412 178.999 -0.587 1
1 574 . 16 1 1 A 50 50 PRO CA C 50 64.641 65.183 -0.542 1
1 575 . 16 1 1 A 50 50 PRO CB C 50 32.045 31.895 0.150 1
1 578 . 16 1 1 A 51 51 SER H H 51 8.290 8.353 -0.063 1
1 579 . 16 1 1 A 51 51 SER HA H 51 4.271 4.195 0.076 1
1 582 . 16 1 1 A 51 51 SER C C 51 175.130 176.245 -1.115 1
1 583 . 16 1 1 A 51 51 SER CA C 51 59.824 61.742 -1.918 1
1 584 . 16 1 1 A 51 51 SER CB C 51 63.071 63.028 0.043 1
1 585 . 16 1 1 A 51 51 SER N N 51 112.214 113.449 -1.235 1
1 586 . 16 1 1 A 52 52 LEU H H 52 7.882 8.254 -0.372 1
1 587 . 16 1 1 A 52 52 LEU HA H 52 4.479 4.164 0.315 1
1 597 . 16 1 1 A 52 52 LEU C C 52 177.843 178.453 -0.610 1
1 598 . 16 1 1 A 52 52 LEU CA C 52 54.734 56.726 -1.992 1
1 599 . 16 1 1 A 52 52 LEU CB C 52 42.500 41.124 1.376 1
1 603 . 16 1 1 A 52 52 LEU N N 52 121.800 120.606 1.194 1
1 604 . 16 1 1 A 53 53 LYS H H 53 7.638 7.832 -0.194 1
1 605 . 16 1 1 A 53 53 LYS HA H 53 4.022 4.122 -0.100 1
1 614 . 16 1 1 A 53 53 LYS C C 53 176.270 177.720 -1.450 1
1 615 . 16 1 1 A 53 53 LYS CA C 53 58.288 58.358 -0.070 1
1 616 . 16 1 1 A 53 53 LYS CB C 53 32.924 32.322 0.602 1
1 620 . 16 1 1 A 53 53 LYS N N 53 121.559 120.878 0.681 1
1 621 . 16 1 1 A 54 54 ASN H H 54 8.266 7.685 0.581 1
1 622 . 16 1 1 A 54 54 ASN HA H 54 4.732 4.908 -0.176 1
1 627 . 16 1 1 A 54 54 ASN C C 54 175.097 174.259 0.838 1
1 628 . 16 1 1 A 54 54 ASN CA C 54 53.020 53.122 -0.102 1
1 629 . 16 1 1 A 54 54 ASN CB C 54 38.863 39.716 -0.853 1
1 630 . 16 1 1 A 54 54 ASN N N 54 116.053 116.684 -0.631 1
1 632 . 16 1 1 A 55 55 SER H H 55 7.692 7.432 0.260 1
1 633 . 16 1 1 A 55 55 SER HA H 55 4.288 4.769 -0.481 1
1 636 . 16 1 1 A 55 55 SER C C 55 173.418 173.841 -0.423 1
1 637 . 16 1 1 A 55 55 SER CA C 55 58.900 57.488 1.412 1
1 638 . 16 1 1 A 55 55 SER CB C 55 63.914 65.780 -1.866 1
1 639 . 16 1 1 A 55 55 SER N N 55 115.901 117.381 -1.480 1
1 640 . 16 1 1 A 56 56 ASN H H 56 8.574 8.635 -0.061 1
1 641 . 16 1 1 A 56 56 ASN HA H 56 4.857 4.890 -0.033 1
1 646 . 16 1 1 A 56 56 ASN C C 56 174.843 175.506 -0.663 1
1 647 . 16 1 1 A 56 56 ASN CA C 56 50.974 51.704 -0.730 1
1 648 . 16 1 1 A 56 56 ASN CB C 56 38.744 38.811 -0.067 1
1 649 . 16 1 1 A 56 56 ASN N N 56 122.245 121.766 0.479 1
1 651 . 16 1 1 A 57 57 PRO HA H 57 4.079 4.220 -0.141 1
1 658 . 16 1 1 A 57 57 PRO C C 57 176.856 177.553 -0.697 1
1 659 . 16 1 1 A 57 57 PRO CA C 57 64.733 65.209 -0.476 1
1 660 . 16 1 1 A 57 57 PRO CB C 57 31.968 31.802 0.166 1
1 663 . 16 1 1 A 58 58 ASP H H 58 8.024 8.494 -0.470 1
1 664 . 16 1 1 A 58 58 ASP HA H 58 4.445 4.513 -0.068 1
1 667 . 16 1 1 A 58 58 ASP C C 58 176.369 176.994 -0.625 1
1 668 . 16 1 1 A 58 58 ASP CA C 58 55.247 55.052 0.195 1
1 669 . 16 1 1 A 58 58 ASP CB C 58 40.828 40.048 0.780 1
1 670 . 16 1 1 A 58 58 ASP N N 58 114.883 116.573 -1.690 1
1 671 . 16 1 1 A 59 59 GLU H H 59 7.663 7.532 0.131 1
1 672 . 16 1 1 A 59 59 GLU HA H 59 4.341 4.471 -0.130 1
1 677 . 16 1 1 A 59 59 GLU C C 59 175.690 176.016 -0.326 1
1 678 . 16 1 1 A 59 59 GLU CA C 59 55.425 55.899 -0.474 1
1 679 . 16 1 1 A 59 59 GLU CB C 59 31.140 31.511 -0.371 1
1 681 . 16 1 1 A 59 59 GLU N N 59 117.763 117.616 0.147 1
1 682 . 16 1 1 A 60 60 ILE H H 60 7.457 6.917 0.540 1
1 683 . 16 1 1 A 60 60 ILE HA H 60 3.962 4.059 -0.097 1
1 693 . 16 1 1 A 60 60 ILE C C 60 174.951 174.999 -0.048 1
1 694 . 16 1 1 A 60 60 ILE CA C 60 61.416 60.946 0.470 1
1 695 . 16 1 1 A 60 60 ILE CB C 60 38.693 37.865 0.828 1
1 699 . 16 1 1 A 60 60 ILE N N 60 120.600 121.707 -1.107 1
1 700 . 16 1 1 A 61 61 GLU H H 61 8.267 8.752 -0.485 1
1 701 . 16 1 1 A 61 61 GLU HA H 61 4.333 4.451 -0.118 1
1 706 . 16 1 1 A 61 61 GLU C C 61 175.576 176.045 -0.469 1
1 707 . 16 1 1 A 61 61 GLU CA C 61 55.085 56.641 -1.556 1
1 708 . 16 1 1 A 61 61 GLU CB C 61 30.717 30.441 0.276 1
1 710 . 16 1 1 A 61 61 GLU N N 61 126.935 127.235 -0.300 1
1 711 . 16 1 1 A 62 62 ILE H H 62 8.425 8.579 -0.154 1
1 712 . 16 1 1 A 62 62 ILE HA H 62 3.570 4.469 -0.899 1
1 722 . 16 1 1 A 62 62 ILE C C 62 174.594 174.304 0.290 1
1 723 . 16 1 1 A 62 62 ILE CA C 62 61.570 60.214 1.356 1
1 724 . 16 1 1 A 62 62 ILE CB C 62 38.187 37.871 0.316 1
1 728 . 16 1 1 A 62 62 ILE N N 62 124.857 123.418 1.439 1
1 729 . 16 1 1 A 63 63 ASP H H 63 8.459 9.035 -0.576 1
1 730 . 16 1 1 A 63 63 ASP HA H 63 4.691 5.004 -0.313 1
1 733 . 16 1 1 A 63 63 ASP C C 63 177.284 175.828 1.456 1
1 734 . 16 1 1 A 63 63 ASP CA C 63 52.272 52.385 -0.113 1
1 735 . 16 1 1 A 63 63 ASP CB C 63 41.160 43.386 -2.226 1
1 736 . 16 1 1 A 63 63 ASP N N 63 126.597 128.349 -1.752 1
1 737 . 16 1 1 A 64 64 PHE H H 64 8.609 8.611 -0.002 1
1 738 . 16 1 1 A 64 64 PHE HA H 64 4.016 4.362 -0.346 1
1 746 . 16 1 1 A 64 64 PHE C C 64 177.010 176.740 0.270 1
1 747 . 16 1 1 A 64 64 PHE CA C 64 59.795 60.298 -0.503 1
1 748 . 16 1 1 A 64 64 PHE CB C 64 38.084 38.420 -0.336 1
1 754 . 16 1 1 A 64 64 PHE N N 64 123.270 122.766 0.504 1
1 755 . 16 1 1 A 65 65 GLU H H 65 8.317 8.729 -0.412 1
1 756 . 16 1 1 A 65 65 GLU HA H 65 4.171 4.269 -0.098 1
1 761 . 16 1 1 A 65 65 GLU C C 65 177.913 176.869 1.044 1
1 762 . 16 1 1 A 65 65 GLU CA C 65 57.524 58.172 -0.648 1
1 763 . 16 1 1 A 65 65 GLU CB C 65 29.440 28.434 1.006 1
1 765 . 16 1 1 A 65 65 GLU N N 65 114.355 117.299 -2.944 1
1 766 . 16 1 1 A 66 66 THR H H 66 7.388 7.971 -0.583 1
1 767 . 16 1 1 A 66 66 THR HA H 66 4.396 4.628 -0.232 1
1 772 . 16 1 1 A 66 66 THR C C 66 174.662 174.504 0.158 1
1 773 . 16 1 1 A 66 66 THR CA C 66 61.316 62.114 -0.798 1
1 774 . 16 1 1 A 66 66 THR CB C 66 69.711 71.218 -1.507 1
1 776 . 16 1 1 A 66 66 THR N N 66 106.424 113.300 -6.876 1
1 777 . 16 1 1 A 67 67 LEU H H 67 6.677 6.920 -0.243 1
1 778 . 16 1 1 A 67 67 LEU HA H 67 4.350 4.300 0.050 1
1 788 . 16 1 1 A 67 67 LEU C C 67 176.647 177.255 -0.608 1
1 789 . 16 1 1 A 67 67 LEU CA C 67 54.104 54.590 -0.486 1
1 790 . 16 1 1 A 67 67 LEU CB C 67 43.365 42.257 1.108 1
1 794 . 16 1 1 A 67 67 LEU N N 67 120.589 123.982 -3.393 1
1 795 . 16 1 1 A 68 68 LYS H H 68 9.947 8.861 1.086 1
1 796 . 16 1 1 A 68 68 LYS HA H 68 4.387 4.527 -0.140 1
1 805 . 16 1 1 A 68 68 LYS C C 68 176.786 176.840 -0.054 1
1 806 . 16 1 1 A 68 68 LYS CA C 68 55.574 54.266 1.308 1
1 807 . 16 1 1 A 68 68 LYS CB C 68 31.897 31.991 -0.094 1
1 811 . 16 1 1 A 68 68 LYS N N 68 123.363 121.520 1.843 1
1 812 . 16 1 1 A 69 69 PRO HA H 69 4.091 4.371 -0.280 1
1 819 . 16 1 1 A 69 69 PRO C C 69 178.646 178.335 0.311 1
1 820 . 16 1 1 A 69 69 PRO CA C 69 66.153 64.933 1.220 1
1 821 . 16 1 1 A 69 69 PRO CB C 69 31.985 32.125 -0.140 1
1 824 . 16 1 1 A 70 70 SER H H 70 8.490 8.315 0.175 1
1 825 . 16 1 1 A 70 70 SER HA H 70 4.231 4.241 -0.010 1
1 828 . 16 1 1 A 70 70 SER C C 70 177.784 176.688 1.096 1
1 829 . 16 1 1 A 70 70 SER CA C 70 60.787 61.311 -0.524 1
1 830 . 16 1 1 A 70 70 SER CB C 70 61.797 62.947 -1.150 1
1 831 . 16 1 1 A 70 70 SER N N 70 109.802 114.557 -4.755 1
1 832 . 16 1 1 A 71 71 THR H H 71 7.340 7.608 -0.268 1
1 833 . 16 1 1 A 71 71 THR HA H 71 3.735 4.020 -0.285 1
1 838 . 16 1 1 A 71 71 THR C C 71 176.072 176.327 -0.255 1
1 839 . 16 1 1 A 71 71 THR CA C 71 65.913 66.984 -1.071 1
1 840 . 16 1 1 A 71 71 THR CB C 71 67.239 68.167 -0.928 1
1 842 . 16 1 1 A 71 71 THR N N 71 122.295 118.721 3.574 1
1 843 . 16 1 1 A 72 72 LEU H H 72 7.839 7.891 -0.052 1
1 844 . 16 1 1 A 72 72 LEU HA H 72 3.713 3.930 -0.217 1
1 854 . 16 1 1 A 72 72 LEU C C 72 178.998 178.981 0.017 1
1 855 . 16 1 1 A 72 72 LEU CA C 72 58.622 57.893 0.729 1
1 856 . 16 1 1 A 72 72 LEU CB C 72 40.911 41.319 -0.408 1
1 859 . 16 1 1 A 72 72 LEU N N 72 120.539 120.744 -0.205 1
1 860 . 16 1 1 A 73 73 ARG H H 73 8.244 8.094 0.150 1
1 861 . 16 1 1 A 73 73 ARG HA H 73 4.100 3.821 0.279 1
1 869 . 16 1 1 A 73 73 ARG C C 73 178.935 178.989 -0.054 1
1 870 . 16 1 1 A 73 73 ARG CA C 73 57.649 59.734 -2.085 1
1 871 . 16 1 1 A 73 73 ARG CB C 73 28.923 29.826 -0.903 1
1 874 . 16 1 1 A 73 73 ARG N N 73 115.473 120.471 -4.998 1
1 876 . 16 1 1 A 74 74 GLU H H 74 7.758 7.809 -0.051 1
1 877 . 16 1 1 A 74 74 GLU HA H 74 4.139 4.125 0.014 1
1 882 . 16 1 1 A 74 74 GLU C C 74 179.640 179.519 0.121 1
1 883 . 16 1 1 A 74 74 GLU CA C 74 59.519 59.349 0.170 1
1 884 . 16 1 1 A 74 74 GLU CB C 74 28.670 29.217 -0.547 1
1 886 . 16 1 1 A 74 74 GLU N N 74 122.400 119.225 3.175 1
1 887 . 16 1 1 A 75 75 LEU H H 75 8.387 7.808 0.579 1
1 888 . 16 1 1 A 75 75 LEU HA H 75 4.070 4.099 -0.029 1
1 898 . 16 1 1 A 75 75 LEU C C 75 178.024 179.069 -1.045 1
1 899 . 16 1 1 A 75 75 LEU CA C 75 58.147 58.020 0.127 1
1 900 . 16 1 1 A 75 75 LEU CB C 75 42.673 41.357 1.316 1
1 904 . 16 1 1 A 75 75 LEU N N 75 119.699 120.606 -0.907 1
1 905 . 16 1 1 A 76 76 GLU H H 76 8.537 8.672 -0.135 1
1 906 . 16 1 1 A 76 76 GLU HA H 76 3.751 3.858 -0.107 1
1 911 . 16 1 1 A 76 76 GLU C C 76 178.799 179.180 -0.381 1
1 912 . 16 1 1 A 76 76 GLU CA C 76 59.871 59.989 -0.118 1
1 913 . 16 1 1 A 76 76 GLU CB C 76 30.145 29.186 0.959 1
1 915 . 16 1 1 A 76 76 GLU N N 76 120.074 119.772 0.302 1
1 916 . 16 1 1 A 77 77 ARG H H 77 8.032 7.992 0.040 1
1 917 . 16 1 1 A 77 77 ARG HA H 77 3.934 4.110 -0.176 1
1 924 . 16 1 1 A 77 77 ARG C C 77 179.220 178.315 0.905 1
1 925 . 16 1 1 A 77 77 ARG CA C 77 59.974 59.047 0.927 1
1 926 . 16 1 1 A 77 77 ARG CB C 77 30.413 29.983 0.430 1
1 929 . 16 1 1 A 77 77 ARG N N 77 120.100 118.940 1.160 1
1 930 . 16 1 1 A 78 78 TYR H H 78 8.084 7.967 0.117 1
1 931 . 16 1 1 A 78 78 TYR HA H 78 4.260 4.226 0.034 1
1 938 . 16 1 1 A 78 78 TYR C C 78 178.620 177.217 1.403 1
1 939 . 16 1 1 A 78 78 TYR CA C 78 61.507 61.357 0.150 1
1 940 . 16 1 1 A 78 78 TYR CB C 78 38.440 38.770 -0.330 1
1 945 . 16 1 1 A 78 78 TYR N N 78 120.327 122.899 -2.572 1
1 946 . 16 1 1 A 79 79 VAL H H 79 9.136 8.319 0.817 1
1 947 . 16 1 1 A 79 79 VAL HA H 79 3.161 3.674 -0.513 1
1 955 . 16 1 1 A 79 79 VAL C C 79 178.067 178.249 -0.182 1
1 956 . 16 1 1 A 79 79 VAL CA C 79 67.306 65.614 1.692 1
1 957 . 16 1 1 A 79 79 VAL CB C 79 31.505 31.008 0.497 1
1 960 . 16 1 1 A 79 79 VAL N N 79 120.576 118.989 1.587 1
1 961 . 16 1 1 A 80 80 THR H H 80 8.297 8.296 0.001 1
1 962 . 16 1 1 A 80 80 THR HA H 80 3.721 3.866 -0.145 1
1 967 . 16 1 1 A 80 80 THR C C 80 176.623 176.682 -0.059 1
1 968 . 16 1 1 A 80 80 THR CA C 80 66.823 66.185 0.638 1
1 969 . 16 1 1 A 80 80 THR CB C 80 68.508 68.459 0.049 1
1 971 . 16 1 1 A 80 80 THR N N 80 115.107 116.930 -1.823 1
1 972 . 16 1 1 A 81 81 SER H H 81 7.537 7.558 -0.021 1
1 973 . 16 1 1 A 81 81 SER HA H 81 4.165 4.144 0.021 1
1 976 . 16 1 1 A 81 81 SER C C 81 176.196 176.581 -0.385 1
1 977 . 16 1 1 A 81 81 SER CA C 81 61.371 61.507 -0.136 1
1 978 . 16 1 1 A 81 81 SER CB C 81 62.826 63.074 -0.248 1
1 979 . 16 1 1 A 81 81 SER N N 81 116.178 115.795 0.383 1
1 980 . 16 1 1 A 82 82 CYS H H 82 7.523 7.734 -0.211 1
1 981 . 16 1 1 A 82 82 CYS HA H 82 4.084 4.072 0.012 1
1 984 . 16 1 1 A 82 82 CYS C C 82 176.363 175.910 0.453 1
1 985 . 16 1 1 A 82 82 CYS CA C 82 62.173 63.265 -1.092 1
1 986 . 16 1 1 A 82 82 CYS CB C 82 27.872 27.322 0.550 1
1 987 . 16 1 1 A 82 82 CYS N N 82 118.207 119.564 -1.357 1
1 988 . 16 1 1 A 83 83 LEU H H 83 7.652 7.547 0.105 1
1 989 . 16 1 1 A 83 83 LEU HA H 83 4.216 4.348 -0.132 1
1 999 . 16 1 1 A 83 83 LEU C C 83 177.349 176.298 1.051 1
1 1000 . 16 1 1 A 83 83 LEU CA C 83 55.521 54.682 0.839 1
1 1001 . 16 1 1 A 83 83 LEU CB C 83 42.550 41.884 0.666 1
1 1005 . 16 1 1 A 83 83 LEU N N 83 118.141 118.883 -0.742 1
1 1006 . 16 1 1 A 84 84 ARG H H 84 7.754 7.300 0.454 1
1 1007 . 16 1 1 A 84 84 ARG HA H 84 4.153 4.738 -0.585 1
1 1014 . 16 1 1 A 84 84 ARG C C 84 176.300 174.651 1.649 1
1 1015 . 16 1 1 A 84 84 ARG CA C 84 56.829 55.110 1.719 1
1 1016 . 16 1 1 A 84 84 ARG CB C 84 29.926 32.917 -2.991 1
1 1019 . 16 1 1 A 84 84 ARG N N 84 118.881 121.316 -2.435 1
1 1020 . 16 1 1 A 85 85 LYS H H 85 7.904 8.434 -0.530 1
1 1021 . 16 1 1 A 85 85 LYS HA H 85 4.178 4.118 0.060 1
1 1030 . 16 1 1 A 85 85 LYS C C 85 176.549 176.090 0.459 1
1 1031 . 16 1 1 A 85 85 LYS CA C 85 56.514 56.407 0.107 1
1 1032 . 16 1 1 A 85 85 LYS CB C 85 32.931 32.766 0.165 1
1 1036 . 16 1 1 A 85 85 LYS N N 85 120.528 124.721 -4.193 1
1 1037 . 16 1 1 A 86 86 LYS H H 86 8.139 8.704 -0.565 1
1 1038 . 16 1 1 A 86 86 LYS HA H 86 4.194 4.854 -0.660 1
1 1047 . 16 1 1 A 86 86 LYS C C 86 176.395 174.331 2.064 1
1 1048 . 16 1 1 A 86 86 LYS CA C 86 56.244 54.961 1.283 1
1 1049 . 16 1 1 A 86 86 LYS CB C 86 32.971 33.294 -0.323 1
1 1053 . 16 1 1 A 86 86 LYS N N 86 121.979 121.916 0.063 1
1 1054 . 16 1 1 A 87 87 ARG H H 87 8.242 9.058 -0.816 1
1 1055 . 16 1 1 A 87 87 ARG HA H 87 4.223 4.874 -0.651 1
1 1062 . 16 1 1 A 87 87 ARG C C 87 175.989 174.760 1.229 1
1 1063 . 16 1 1 A 87 87 ARG CA C 87 55.953 54.740 1.213 1
1 1064 . 16 1 1 A 87 87 ARG CB C 87 31.019 31.008 0.011 1
1 1067 . 16 1 1 A 87 87 ARG N N 87 122.606 126.481 -3.875 1
1 1068 . 16 1 1 A 88 88 LYS H H 88 8.318 8.819 -0.501 1
1 1069 . 16 1 1 A 88 88 LYS HA H 88 4.506 4.966 -0.460 1
1 1074 . 16 1 1 A 88 88 LYS C C 88 174.589 174.363 0.226 1
1 1075 . 16 1 1 A 88 88 LYS CA C 88 54.349 53.367 0.982 1
1 1076 . 16 1 1 A 88 88 LYS CB C 88 32.576 33.770 -1.194 1
1 1077 . 16 1 1 A 88 88 LYS N N 88 124.253 126.315 -2.062 1
1 1078 . 16 1 1 A 89 89 PRO HA H 89 4.327 4.635 -0.308 1
1 1085 . 16 1 1 A 89 89 PRO C C 89 176.044 176.462 -0.418 1
1 1086 . 16 1 1 A 89 89 PRO CA C 89 63.489 62.757 0.732 1
1 1087 . 16 1 1 A 89 89 PRO CB C 89 31.921 31.796 0.125 1
1 1 . 17 1 1 A 4 4 GLY C C 4 174.318 174.288 0.030 1
1 2 . 17 1 1 A 4 4 GLY CA C 4 45.318 45.062 0.256 1
1 3 . 17 1 1 A 5 5 SER H H 5 8.211 8.449 -0.238 1
1 4 . 17 1 1 A 5 5 SER HA H 5 4.460 4.172 0.288 1
1 7 . 17 1 1 A 5 5 SER C C 5 174.891 173.690 1.201 1
1 8 . 17 1 1 A 5 5 SER CA C 5 58.299 59.028 -0.729 1
1 9 . 17 1 1 A 5 5 SER CB C 5 64.052 61.025 3.027 1
1 10 . 17 1 1 A 5 5 SER N N 5 115.510 116.830 -1.320 1
1 11 . 17 1 1 A 6 6 SER H H 6 8.444 7.651 0.793 1
1 12 . 17 1 1 A 6 6 SER HA H 6 4.428 4.263 0.165 1
1 15 . 17 1 1 A 6 6 SER C C 6 175.096 175.660 -0.564 1
1 16 . 17 1 1 A 6 6 SER CA C 6 58.706 59.992 -1.286 1
1 17 . 17 1 1 A 6 6 SER CB C 6 63.920 63.742 0.178 1
1 18 . 17 1 1 A 6 6 SER N N 6 117.613 116.816 0.797 1
1 19 . 17 1 1 A 7 7 GLY H H 7 8.359 9.004 -0.645 1
1 20 . 17 1 1 A 7 7 GLY HA2 H 7 3.916 3.918 -0.002 1
1 21 . 17 1 1 A 7 7 GLY HA3 H 7 3.916 3.918 -0.002 1
1 22 . 17 1 1 A 7 7 GLY C C 7 174.309 175.090 -0.781 1
1 23 . 17 1 1 A 7 7 GLY CA C 7 45.399 46.896 -1.497 1
1 24 . 17 1 1 A 7 7 GLY N N 7 110.468 113.478 -3.010 1
1 25 . 17 1 1 A 8 8 GLU H H 8 8.235 8.105 0.130 1
1 26 . 17 1 1 A 8 8 GLU HA H 8 4.248 4.090 0.158 1
1 31 . 17 1 1 A 8 8 GLU C C 8 176.732 177.049 -0.317 1
1 32 . 17 1 1 A 8 8 GLU CA C 8 56.630 58.728 -2.098 1
1 33 . 17 1 1 A 8 8 GLU CB C 8 30.243 29.836 0.407 1
1 35 . 17 1 1 A 8 8 GLU N N 8 120.254 120.815 -0.561 1
1 36 . 17 1 1 A 9 9 SER H H 9 8.327 7.729 0.598 1
1 37 . 17 1 1 A 9 9 SER HA H 9 4.385 4.911 -0.526 1
1 40 . 17 1 1 A 9 9 SER C C 9 174.682 175.121 -0.439 1
1 41 . 17 1 1 A 9 9 SER CA C 9 58.470 57.273 1.197 1
1 42 . 17 1 1 A 9 9 SER CB C 9 63.742 63.753 -0.011 1
1 43 . 17 1 1 A 9 9 SER N N 9 116.213 113.254 2.959 1
1 44 . 17 1 1 A 10 10 GLU H H 10 8.428 7.543 0.885 1
1 45 . 17 1 1 A 10 10 GLU HA H 10 4.232 4.083 0.149 1
1 50 . 17 1 1 A 10 10 GLU C C 10 176.769 177.990 -1.221 1
1 51 . 17 1 1 A 10 10 GLU CA C 10 56.887 58.986 -2.099 1
1 52 . 17 1 1 A 10 10 GLU CB C 10 30.267 29.508 0.759 1
1 54 . 17 1 1 A 10 10 GLU N N 10 122.618 122.034 0.584 1
1 55 . 17 1 1 A 11 11 GLU H H 11 8.315 8.040 0.275 1
1 56 . 17 1 1 A 11 11 GLU HA H 11 4.179 4.235 -0.056 1
1 61 . 17 1 1 A 11 11 GLU C C 11 177.182 178.499 -1.317 1
1 62 . 17 1 1 A 11 11 GLU CA C 11 56.896 58.567 -1.671 1
1 63 . 17 1 1 A 11 11 GLU CB C 11 30.317 30.341 -0.024 1
1 65 . 17 1 1 A 11 11 GLU N N 11 120.909 118.927 1.982 1
1 66 . 17 1 1 A 12 12 GLU H H 12 8.333 8.010 0.323 1
1 67 . 17 1 1 A 12 12 GLU HA H 12 4.100 4.065 0.035 1
1 72 . 17 1 1 A 12 12 GLU C C 12 176.860 175.884 0.976 1
1 73 . 17 1 1 A 12 12 GLU CA C 12 57.495 58.814 -1.319 1
1 74 . 17 1 1 A 12 12 GLU CB C 12 30.221 29.212 1.009 1
1 76 . 17 1 1 A 12 12 GLU N N 12 121.578 120.137 1.441 1
1 77 . 17 1 1 A 13 13 ASP H H 13 8.332 8.083 0.249 1
1 78 . 17 1 1 A 13 13 ASP HA H 13 4.468 4.519 -0.051 1
1 81 . 17 1 1 A 13 13 ASP C C 13 176.833 174.989 1.844 1
1 82 . 17 1 1 A 13 13 ASP CA C 13 54.921 54.923 -0.002 1
1 83 . 17 1 1 A 13 13 ASP CB C 13 40.912 39.245 1.667 1
1 84 . 17 1 1 A 13 13 ASP N N 13 120.147 120.121 0.026 1
1 85 . 17 1 1 A 14 14 LYS H H 14 8.014 7.935 0.079 1
1 86 . 17 1 1 A 14 14 LYS HA H 14 4.204 4.714 -0.510 1
1 95 . 17 1 1 A 14 14 LYS C C 14 176.568 175.843 0.725 1
1 96 . 17 1 1 A 14 14 LYS CA C 14 56.558 54.535 2.023 1
1 97 . 17 1 1 A 14 14 LYS CB C 14 32.598 34.379 -1.781 1
1 101 . 17 1 1 A 14 14 LYS N N 14 120.485 116.975 3.510 1
1 102 . 17 1 1 A 15 15 CYS H H 15 8.013 8.741 -0.728 1
1 103 . 17 1 1 A 15 15 CYS HA H 15 4.304 5.456 -1.152 1
1 106 . 17 1 1 A 15 15 CYS C C 15 173.801 172.886 0.915 1
1 107 . 17 1 1 A 15 15 CYS CA C 15 58.337 57.315 1.022 1
1 108 . 17 1 1 A 15 15 CYS CB C 15 28.061 32.048 -3.987 1
1 109 . 17 1 1 A 15 15 CYS N N 15 118.099 119.158 -1.059 1
1 110 . 17 1 1 A 16 16 LYS H H 16 8.287 8.557 -0.270 1
1 111 . 17 1 1 A 16 16 LYS HA H 16 4.491 4.760 -0.269 1
1 120 . 17 1 1 A 16 16 LYS C C 16 175.117 173.885 1.232 1
1 121 . 17 1 1 A 16 16 LYS CA C 16 54.512 53.155 1.357 1
1 122 . 17 1 1 A 16 16 LYS CB C 16 32.697 33.986 -1.289 1
1 124 . 17 1 1 A 16 16 LYS N N 16 125.369 120.102 5.267 1
1 125 . 17 1 1 A 17 17 PRO HA H 17 4.247 4.599 -0.352 1
1 132 . 17 1 1 A 17 17 PRO C C 17 176.956 175.568 1.388 1
1 133 . 17 1 1 A 17 17 PRO CA C 17 63.088 63.055 0.033 1
1 134 . 17 1 1 A 17 17 PRO CB C 17 32.244 32.676 -0.432 1
1 137 . 17 1 1 A 18 18 MET H H 18 8.516 8.415 0.101 1
1 138 . 17 1 1 A 18 18 MET HA H 18 4.488 4.912 -0.424 1
1 146 . 17 1 1 A 18 18 MET C C 18 176.759 175.524 1.235 1
1 147 . 17 1 1 A 18 18 MET CA C 18 56.169 54.745 1.424 1
1 148 . 17 1 1 A 18 18 MET CB C 18 35.531 35.721 -0.190 1
1 151 . 17 1 1 A 18 18 MET N N 18 121.801 120.048 1.753 1
1 152 . 17 1 1 A 19 19 SER H H 19 9.100 8.989 0.111 1
1 153 . 17 1 1 A 19 19 SER HA H 19 4.459 4.647 -0.188 1
1 156 . 17 1 1 A 19 19 SER C C 19 175.018 175.529 -0.511 1
1 157 . 17 1 1 A 19 19 SER CA C 19 56.894 58.060 -1.166 1
1 158 . 17 1 1 A 19 19 SER CB C 19 65.854 64.636 1.218 1
1 159 . 17 1 1 A 19 19 SER N N 19 119.212 120.478 -1.266 1
1 160 . 17 1 1 A 20 20 TYR H H 20 8.959 9.262 -0.303 1
1 161 . 17 1 1 A 20 20 TYR HA H 20 4.029 4.150 -0.121 1
1 168 . 17 1 1 A 20 20 TYR C C 20 177.960 177.396 0.564 1
1 169 . 17 1 1 A 20 20 TYR CA C 20 62.463 62.508 -0.045 1
1 170 . 17 1 1 A 20 20 TYR CB C 20 38.009 38.866 -0.857 1
1 175 . 17 1 1 A 20 20 TYR N N 20 121.218 124.334 -3.116 1
1 176 . 17 1 1 A 21 21 GLU H H 21 8.825 8.292 0.533 1
1 177 . 17 1 1 A 21 21 GLU HA H 21 3.811 3.639 0.172 1
1 182 . 17 1 1 A 21 21 GLU C C 21 179.481 179.188 0.293 1
1 183 . 17 1 1 A 21 21 GLU CA C 21 59.951 59.832 0.119 1
1 184 . 17 1 1 A 21 21 GLU CB C 21 28.823 29.163 -0.340 1
1 186 . 17 1 1 A 21 21 GLU N N 21 118.696 117.874 0.822 1
1 187 . 17 1 1 A 22 22 GLU H H 22 7.771 8.107 -0.336 1
1 188 . 17 1 1 A 22 22 GLU HA H 22 3.899 4.055 -0.156 1
1 193 . 17 1 1 A 22 22 GLU C C 22 179.680 179.275 0.405 1
1 194 . 17 1 1 A 22 22 GLU CA C 22 59.498 58.939 0.559 1
1 195 . 17 1 1 A 22 22 GLU CB C 22 30.385 29.471 0.914 1
1 197 . 17 1 1 A 22 22 GLU N N 22 120.141 120.671 -0.530 1
1 198 . 17 1 1 A 23 23 LYS H H 23 8.101 7.581 0.520 1
1 199 . 17 1 1 A 23 23 LYS HA H 23 3.662 3.583 0.079 1
1 208 . 17 1 1 A 23 23 LYS C C 23 178.250 178.801 -0.551 1
1 209 . 17 1 1 A 23 23 LYS CA C 23 60.345 59.517 0.828 1
1 210 . 17 1 1 A 23 23 LYS CB C 23 32.611 31.891 0.720 1
1 214 . 17 1 1 A 23 23 LYS N N 23 120.594 119.533 1.061 1
1 215 . 17 1 1 A 24 24 ARG H H 24 8.030 7.878 0.152 1
1 216 . 17 1 1 A 24 24 ARG HA H 24 3.721 3.973 -0.252 1
1 223 . 17 1 1 A 24 24 ARG C C 24 178.992 178.304 0.688 1
1 224 . 17 1 1 A 24 24 ARG CA C 24 59.055 59.396 -0.341 1
1 225 . 17 1 1 A 24 24 ARG CB C 24 29.623 29.819 -0.196 1
1 228 . 17 1 1 A 24 24 ARG N N 24 120.100 118.824 1.276 1
1 229 . 17 1 1 A 25 25 GLN H H 25 7.940 7.747 0.193 1
1 230 . 17 1 1 A 25 25 GLN HA H 25 3.706 3.973 -0.267 1
1 237 . 17 1 1 A 25 25 GLN C C 25 177.078 177.845 -0.767 1
1 238 . 17 1 1 A 25 25 GLN CA C 25 58.104 58.623 -0.519 1
1 239 . 17 1 1 A 25 25 GLN CB C 25 28.294 28.310 -0.016 1
1 241 . 17 1 1 A 25 25 GLN N N 25 118.586 119.351 -0.765 1
1 243 . 17 1 1 A 26 26 LEU H H 26 7.843 7.798 0.045 1
1 244 . 17 1 1 A 26 26 LEU HA H 26 4.182 4.002 0.180 1
1 254 . 17 1 1 A 26 26 LEU C C 26 178.116 178.626 -0.510 1
1 255 . 17 1 1 A 26 26 LEU CA C 26 57.867 57.631 0.236 1
1 256 . 17 1 1 A 26 26 LEU CB C 26 41.167 41.285 -0.118 1
1 259 . 17 1 1 A 26 26 LEU N N 26 119.570 121.418 -1.848 1
1 260 . 17 1 1 A 27 27 SER H H 27 7.710 7.786 -0.076 1
1 261 . 17 1 1 A 27 27 SER HA H 27 3.869 4.320 -0.451 1
1 264 . 17 1 1 A 27 27 SER C C 27 176.845 177.602 -0.757 1
1 265 . 17 1 1 A 27 27 SER CA C 27 61.478 61.448 0.030 1
1 266 . 17 1 1 A 27 27 SER CB C 27 62.828 63.022 -0.194 1
1 267 . 17 1 1 A 27 27 SER N N 27 112.126 114.639 -2.513 1
1 268 . 17 1 1 A 28 28 LEU H H 28 7.613 8.061 -0.448 1
1 269 . 17 1 1 A 28 28 LEU HA H 28 3.954 3.962 -0.008 1
1 279 . 17 1 1 A 28 28 LEU C C 28 180.044 178.696 1.348 1
1 280 . 17 1 1 A 28 28 LEU CA C 28 57.862 58.018 -0.156 1
1 281 . 17 1 1 A 28 28 LEU CB C 28 41.703 41.524 0.179 1
1 285 . 17 1 1 A 28 28 LEU N N 28 120.774 121.596 -0.822 1
1 286 . 17 1 1 A 29 29 ASP H H 29 8.476 7.826 0.650 1
1 287 . 17 1 1 A 29 29 ASP HA H 29 4.236 4.416 -0.180 1
1 290 . 17 1 1 A 29 29 ASP C C 29 179.532 178.979 0.553 1
1 291 . 17 1 1 A 29 29 ASP CA C 29 57.618 57.257 0.361 1
1 292 . 17 1 1 A 29 29 ASP CB C 29 40.447 40.746 -0.299 1
1 293 . 17 1 1 A 29 29 ASP N N 29 120.971 118.795 2.176 1
1 294 . 17 1 1 A 30 30 ILE H H 30 8.558 7.974 0.584 1
1 295 . 17 1 1 A 30 30 ILE HA H 30 3.564 3.502 0.062 1
1 305 . 17 1 1 A 30 30 ILE C C 30 178.098 178.107 -0.009 1
1 306 . 17 1 1 A 30 30 ILE CA C 30 65.616 65.536 0.080 1
1 307 . 17 1 1 A 30 30 ILE CB C 30 37.697 38.028 -0.331 1
1 311 . 17 1 1 A 30 30 ILE N N 30 120.240 121.516 -1.276 1
1 312 . 17 1 1 A 31 31 ASN H H 31 7.350 8.537 -1.187 1
1 313 . 17 1 1 A 31 31 ASN HA H 31 4.560 4.514 0.046 1
1 318 . 17 1 1 A 31 31 ASN C C 31 175.952 176.821 -0.869 1
1 319 . 17 1 1 A 31 31 ASN CA C 31 54.997 56.360 -1.363 1
1 320 . 17 1 1 A 31 31 ASN CB C 31 38.769 38.224 0.545 1
1 321 . 17 1 1 A 31 31 ASN N N 31 115.285 116.732 -1.447 1
1 323 . 17 1 1 A 32 32 LYS H H 32 7.509 7.459 0.050 1
1 324 . 17 1 1 A 32 32 LYS HA H 32 4.286 4.323 -0.037 1
1 333 . 17 1 1 A 32 32 LYS C C 32 177.232 176.655 0.577 1
1 334 . 17 1 1 A 32 32 LYS CA C 32 56.330 57.235 -0.905 1
1 335 . 17 1 1 A 32 32 LYS CB C 32 33.570 32.789 0.781 1
1 339 . 17 1 1 A 32 32 LYS N N 32 117.496 117.441 0.055 1
1 340 . 17 1 1 A 33 33 LEU H H 33 7.455 7.409 0.046 1
1 341 . 17 1 1 A 33 33 LEU HA H 33 4.265 4.385 -0.120 1
1 351 . 17 1 1 A 33 33 LEU CA C 33 53.436 53.362 0.074 1
1 352 . 17 1 1 A 33 33 LEU CB C 33 41.464 40.839 0.625 1
1 356 . 17 1 1 A 33 33 LEU N N 33 120.501 120.945 -0.444 1
1 357 . 17 1 1 A 34 34 PRO HA H 34 4.561 4.728 -0.167 1
1 364 . 17 1 1 A 34 34 PRO C C 34 178.359 177.886 0.473 1
1 365 . 17 1 1 A 34 34 PRO CA C 34 62.251 62.229 0.022 1
1 366 . 17 1 1 A 34 34 PRO CB C 34 32.489 32.501 -0.012 1
1 369 . 17 1 1 A 35 35 GLY H H 35 8.865 8.712 0.153 1
1 370 . 17 1 1 A 35 35 GLY HA2 H 35 3.709 3.819 -0.110 1
1 371 . 17 1 1 A 35 35 GLY HA3 H 35 4.005 3.825 0.180 1
1 372 . 17 1 1 A 35 35 GLY C C 35 176.845 175.945 0.900 1
1 373 . 17 1 1 A 35 35 GLY CA C 35 48.165 47.056 1.109 1
1 374 . 17 1 1 A 35 35 GLY N N 35 109.986 109.440 0.546 1
1 375 . 17 1 1 A 36 36 GLU H H 36 9.360 9.082 0.278 1
1 376 . 17 1 1 A 36 36 GLU HA H 36 4.233 4.119 0.114 1
1 381 . 17 1 1 A 36 36 GLU C C 36 178.326 177.569 0.757 1
1 382 . 17 1 1 A 36 36 GLU CA C 36 58.964 58.934 0.030 1
1 383 . 17 1 1 A 36 36 GLU CB C 36 28.689 28.876 -0.187 1
1 385 . 17 1 1 A 36 36 GLU N N 36 119.485 120.880 -1.395 1
1 386 . 17 1 1 A 37 37 LYS H H 37 7.734 7.733 0.001 1
1 387 . 17 1 1 A 37 37 LYS HA H 37 4.516 4.498 0.018 1
1 396 . 17 1 1 A 37 37 LYS C C 37 178.698 177.846 0.852 1
1 397 . 17 1 1 A 37 37 LYS CA C 37 55.977 56.184 -0.207 1
1 398 . 17 1 1 A 37 37 LYS CB C 37 32.981 33.110 -0.129 1
1 402 . 17 1 1 A 37 37 LYS N N 37 116.668 118.696 -2.028 1
1 403 . 17 1 1 A 38 38 LEU H H 38 7.882 7.739 0.143 1
1 404 . 17 1 1 A 38 38 LEU HA H 38 4.103 4.067 0.036 1
1 414 . 17 1 1 A 38 38 LEU C C 38 179.042 178.587 0.455 1
1 415 . 17 1 1 A 38 38 LEU CA C 38 57.832 57.860 -0.028 1
1 416 . 17 1 1 A 38 38 LEU CB C 38 41.753 41.887 -0.134 1
1 420 . 17 1 1 A 38 38 LEU N N 38 121.898 121.898 0.000 1
1 421 . 17 1 1 A 39 39 GLY H H 39 8.212 8.331 -0.119 1
1 422 . 17 1 1 A 39 39 GLY HA2 H 39 3.720 3.925 -0.205 1
1 423 . 17 1 1 A 39 39 GLY HA3 H 39 3.853 3.935 -0.082 1
1 424 . 17 1 1 A 39 39 GLY C C 39 176.507 175.715 0.792 1
1 425 . 17 1 1 A 39 39 GLY CA C 39 47.218 46.965 0.253 1
1 426 . 17 1 1 A 39 39 GLY N N 39 106.042 106.603 -0.561 1
1 427 . 17 1 1 A 40 40 ARG H H 40 7.416 7.838 -0.422 1
1 428 . 17 1 1 A 40 40 ARG HA H 40 4.031 4.169 -0.138 1
1 435 . 17 1 1 A 40 40 ARG C C 40 177.974 178.499 -0.525 1
1 436 . 17 1 1 A 40 40 ARG CA C 40 57.460 58.649 -1.189 1
1 437 . 17 1 1 A 40 40 ARG CB C 40 29.051 29.825 -0.774 1
1 440 . 17 1 1 A 40 40 ARG N N 40 120.046 121.996 -1.950 1
1 441 . 17 1 1 A 41 41 VAL H H 41 7.417 8.117 -0.700 1
1 442 . 17 1 1 A 41 41 VAL HA H 41 3.285 3.749 -0.464 1
1 450 . 17 1 1 A 41 41 VAL C C 41 177.090 178.140 -1.050 1
1 451 . 17 1 1 A 41 41 VAL CA C 41 66.979 66.383 0.596 1
1 452 . 17 1 1 A 41 41 VAL CB C 41 31.059 31.598 -0.539 1
1 455 . 17 1 1 A 41 41 VAL N N 41 119.285 119.480 -0.195 1
1 456 . 17 1 1 A 42 42 VAL H H 42 7.493 8.424 -0.931 1
1 457 . 17 1 1 A 42 42 VAL HA H 42 3.395 3.689 -0.294 1
1 465 . 17 1 1 A 42 42 VAL C C 42 177.200 178.275 -1.075 1
1 466 . 17 1 1 A 42 42 VAL CA C 42 66.764 66.360 0.404 1
1 467 . 17 1 1 A 42 42 VAL CB C 42 31.296 31.144 0.152 1
1 470 . 17 1 1 A 42 42 VAL N N 42 116.606 120.118 -3.512 1
1 471 . 17 1 1 A 43 43 HIS H H 43 7.602 8.045 -0.443 1
1 472 . 17 1 1 A 43 43 HIS HA H 43 4.264 4.286 -0.022 1
1 477 . 17 1 1 A 43 43 HIS C C 43 178.854 177.916 0.938 1
1 478 . 17 1 1 A 43 43 HIS CA C 43 59.824 59.447 0.377 1
1 479 . 17 1 1 A 43 43 HIS CB C 43 30.605 29.552 1.053 1
1 482 . 17 1 1 A 43 43 HIS N N 43 118.867 119.784 -0.917 1
1 483 . 17 1 1 A 44 44 ILE H H 44 8.344 7.886 0.458 1
1 484 . 17 1 1 A 44 44 ILE HA H 44 3.375 3.582 -0.207 1
1 494 . 17 1 1 A 44 44 ILE C C 44 178.054 178.419 -0.365 1
1 495 . 17 1 1 A 44 44 ILE CA C 44 65.922 64.468 1.454 1
1 496 . 17 1 1 A 44 44 ILE CB C 44 37.950 37.644 0.306 1
1 500 . 17 1 1 A 44 44 ILE N N 44 121.530 120.048 1.482 1
1 501 . 17 1 1 A 45 45 ILE H H 45 7.604 7.681 -0.077 1
1 502 . 17 1 1 A 45 45 ILE HA H 45 3.311 3.536 -0.225 1
1 512 . 17 1 1 A 45 45 ILE C C 45 177.378 177.963 -0.585 1
1 513 . 17 1 1 A 45 45 ILE CA C 45 66.577 65.110 1.467 1
1 514 . 17 1 1 A 45 45 ILE CB C 45 38.168 37.234 0.934 1
1 518 . 17 1 1 A 45 45 ILE N N 45 117.572 120.792 -3.220 1
1 519 . 17 1 1 A 46 46 GLN H H 46 8.626 8.330 0.296 1
1 520 . 17 1 1 A 46 46 GLN HA H 46 3.719 4.024 -0.305 1
1 527 . 17 1 1 A 46 46 GLN C C 46 177.483 178.595 -1.112 1
1 528 . 17 1 1 A 46 46 GLN CA C 46 59.443 58.802 0.641 1
1 529 . 17 1 1 A 46 46 GLN CB C 46 28.832 28.144 0.688 1
1 531 . 17 1 1 A 46 46 GLN N N 46 115.916 119.027 -3.111 1
1 533 . 17 1 1 A 47 47 SER H H 47 7.862 7.696 0.166 1
1 534 . 17 1 1 A 47 47 SER HA H 47 4.064 4.235 -0.171 1
1 537 . 17 1 1 A 47 47 SER C C 47 175.615 175.676 -0.061 1
1 538 . 17 1 1 A 47 47 SER CA C 47 60.602 61.081 -0.479 1
1 539 . 17 1 1 A 47 47 SER CB C 47 63.313 63.296 0.017 1
1 540 . 17 1 1 A 47 47 SER N N 47 110.902 115.815 -4.913 1
1 541 . 17 1 1 A 48 48 ARG H H 48 7.362 8.032 -0.670 1
1 542 . 17 1 1 A 48 48 ARG HA H 48 4.306 4.402 -0.096 1
1 549 . 17 1 1 A 48 48 ARG C C 48 176.365 176.263 0.102 1
1 550 . 17 1 1 A 48 48 ARG CA C 48 55.992 56.963 -0.971 1
1 551 . 17 1 1 A 48 48 ARG CB C 48 33.000 31.201 1.799 1
1 554 . 17 1 1 A 48 48 ARG N N 48 118.403 118.055 0.348 1
1 555 . 17 1 1 A 49 49 GLU H H 49 7.714 7.625 0.089 1
1 556 . 17 1 1 A 49 49 GLU HA H 49 4.806 4.774 0.032 1
1 561 . 17 1 1 A 49 49 GLU C C 49 174.213 174.703 -0.490 1
1 562 . 17 1 1 A 49 49 GLU CA C 49 52.903 54.164 -1.261 1
1 563 . 17 1 1 A 49 49 GLU CB C 49 28.835 29.902 -1.067 1
1 565 . 17 1 1 A 49 49 GLU N N 49 118.387 119.370 -0.983 1
1 566 . 17 1 1 A 50 50 PRO HA H 50 4.273 4.289 -0.016 1
1 573 . 17 1 1 A 50 50 PRO C C 50 178.412 177.808 0.604 1
1 574 . 17 1 1 A 50 50 PRO CA C 50 64.641 65.009 -0.368 1
1 575 . 17 1 1 A 50 50 PRO CB C 50 32.045 32.199 -0.154 1
1 578 . 17 1 1 A 51 51 SER H H 51 8.290 8.190 0.100 1
1 579 . 17 1 1 A 51 51 SER HA H 51 4.271 4.328 -0.057 1
1 582 . 17 1 1 A 51 51 SER C C 51 175.130 174.881 0.249 1
1 583 . 17 1 1 A 51 51 SER CA C 51 59.824 60.258 -0.434 1
1 584 . 17 1 1 A 51 51 SER CB C 51 63.071 63.021 0.050 1
1 585 . 17 1 1 A 51 51 SER N N 51 112.214 112.748 -0.534 1
1 586 . 17 1 1 A 52 52 LEU H H 52 7.882 7.664 0.218 1
1 587 . 17 1 1 A 52 52 LEU HA H 52 4.479 4.376 0.103 1
1 597 . 17 1 1 A 52 52 LEU C C 52 177.843 176.403 1.440 1
1 598 . 17 1 1 A 52 52 LEU CA C 52 54.734 54.320 0.414 1
1 599 . 17 1 1 A 52 52 LEU CB C 52 42.500 42.184 0.316 1
1 603 . 17 1 1 A 52 52 LEU N N 52 121.800 117.727 4.073 1
1 604 . 17 1 1 A 53 53 LYS H H 53 7.638 7.315 0.323 1
1 605 . 17 1 1 A 53 53 LYS HA H 53 4.022 3.753 0.269 1
1 614 . 17 1 1 A 53 53 LYS C C 53 176.270 177.134 -0.864 1
1 615 . 17 1 1 A 53 53 LYS CA C 53 58.288 58.358 -0.070 1
1 616 . 17 1 1 A 53 53 LYS CB C 53 32.924 32.361 0.563 1
1 620 . 17 1 1 A 53 53 LYS N N 53 121.559 120.846 0.713 1
1 621 . 17 1 1 A 54 54 ASN H H 54 8.266 9.248 -0.982 1
1 622 . 17 1 1 A 54 54 ASN HA H 54 4.732 4.305 0.427 1
1 627 . 17 1 1 A 54 54 ASN C C 54 175.097 174.786 0.311 1
1 628 . 17 1 1 A 54 54 ASN CA C 54 53.020 54.993 -1.973 1
1 629 . 17 1 1 A 54 54 ASN CB C 54 38.863 37.010 1.853 1
1 630 . 17 1 1 A 54 54 ASN N N 54 116.053 118.774 -2.721 1
1 632 . 17 1 1 A 55 55 SER H H 55 7.692 7.535 0.157 1
1 633 . 17 1 1 A 55 55 SER HA H 55 4.288 4.555 -0.267 1
1 636 . 17 1 1 A 55 55 SER C C 55 173.418 173.754 -0.336 1
1 637 . 17 1 1 A 55 55 SER CA C 55 58.900 58.869 0.031 1
1 638 . 17 1 1 A 55 55 SER CB C 55 63.914 64.498 -0.584 1
1 639 . 17 1 1 A 55 55 SER N N 55 115.901 115.182 0.719 1
1 640 . 17 1 1 A 56 56 ASN H H 56 8.574 8.481 0.093 1
1 641 . 17 1 1 A 56 56 ASN HA H 56 4.857 4.870 -0.013 1
1 646 . 17 1 1 A 56 56 ASN C C 56 174.843 175.554 -0.711 1
1 647 . 17 1 1 A 56 56 ASN CA C 56 50.974 51.206 -0.232 1
1 648 . 17 1 1 A 56 56 ASN CB C 56 38.744 39.460 -0.716 1
1 649 . 17 1 1 A 56 56 ASN N N 56 122.245 122.202 0.043 1
1 651 . 17 1 1 A 57 57 PRO HA H 57 4.079 4.210 -0.131 1
1 658 . 17 1 1 A 57 57 PRO C C 57 176.856 178.067 -1.211 1
1 659 . 17 1 1 A 57 57 PRO CA C 57 64.733 65.270 -0.537 1
1 660 . 17 1 1 A 57 57 PRO CB C 57 31.968 31.756 0.212 1
1 663 . 17 1 1 A 58 58 ASP H H 58 8.024 8.639 -0.615 1
1 664 . 17 1 1 A 58 58 ASP HA H 58 4.445 4.453 -0.008 1
1 667 . 17 1 1 A 58 58 ASP C C 58 176.369 177.124 -0.755 1
1 668 . 17 1 1 A 58 58 ASP CA C 58 55.247 56.114 -0.867 1
1 669 . 17 1 1 A 58 58 ASP CB C 58 40.828 40.184 0.644 1
1 670 . 17 1 1 A 58 58 ASP N N 58 114.883 116.701 -1.818 1
1 671 . 17 1 1 A 59 59 GLU H H 59 7.663 7.671 -0.008 1
1 672 . 17 1 1 A 59 59 GLU HA H 59 4.341 4.383 -0.042 1
1 677 . 17 1 1 A 59 59 GLU C C 59 175.690 176.435 -0.745 1
1 678 . 17 1 1 A 59 59 GLU CA C 59 55.425 56.077 -0.652 1
1 679 . 17 1 1 A 59 59 GLU CB C 59 31.140 30.447 0.693 1
1 681 . 17 1 1 A 59 59 GLU N N 59 117.763 117.143 0.620 1
1 682 . 17 1 1 A 60 60 ILE H H 60 7.457 7.341 0.116 1
1 683 . 17 1 1 A 60 60 ILE HA H 60 3.962 4.211 -0.249 1
1 693 . 17 1 1 A 60 60 ILE C C 60 174.951 174.897 0.054 1
1 694 . 17 1 1 A 60 60 ILE CA C 60 61.416 60.408 1.008 1
1 695 . 17 1 1 A 60 60 ILE CB C 60 38.693 39.299 -0.606 1
1 699 . 17 1 1 A 60 60 ILE N N 60 120.600 120.885 -0.285 1
1 700 . 17 1 1 A 61 61 GLU H H 61 8.267 8.561 -0.294 1
1 701 . 17 1 1 A 61 61 GLU HA H 61 4.333 5.106 -0.773 1
1 706 . 17 1 1 A 61 61 GLU C C 61 175.576 174.939 0.637 1
1 707 . 17 1 1 A 61 61 GLU CA C 61 55.085 54.459 0.626 1
1 708 . 17 1 1 A 61 61 GLU CB C 61 30.717 34.356 -3.639 1
1 710 . 17 1 1 A 61 61 GLU N N 61 126.935 121.841 5.094 1
1 711 . 17 1 1 A 62 62 ILE H H 62 8.425 8.686 -0.261 1
1 712 . 17 1 1 A 62 62 ILE HA H 62 3.570 4.664 -1.094 1
1 722 . 17 1 1 A 62 62 ILE C C 62 174.594 174.093 0.501 1
1 723 . 17 1 1 A 62 62 ILE CA C 62 61.570 60.203 1.367 1
1 724 . 17 1 1 A 62 62 ILE CB C 62 38.187 38.726 -0.539 1
1 728 . 17 1 1 A 62 62 ILE N N 62 124.857 123.128 1.729 1
1 729 . 17 1 1 A 63 63 ASP H H 63 8.459 9.019 -0.560 1
1 730 . 17 1 1 A 63 63 ASP HA H 63 4.691 5.124 -0.433 1
1 733 . 17 1 1 A 63 63 ASP C C 63 177.284 176.189 1.095 1
1 734 . 17 1 1 A 63 63 ASP CA C 63 52.272 52.861 -0.589 1
1 735 . 17 1 1 A 63 63 ASP CB C 63 41.160 42.391 -1.231 1
1 736 . 17 1 1 A 63 63 ASP N N 63 126.597 128.113 -1.516 1
1 737 . 17 1 1 A 64 64 PHE H H 64 8.609 8.134 0.475 1
1 738 . 17 1 1 A 64 64 PHE HA H 64 4.016 4.317 -0.301 1
1 746 . 17 1 1 A 64 64 PHE C C 64 177.010 177.507 -0.497 1
1 747 . 17 1 1 A 64 64 PHE CA C 64 59.795 60.733 -0.938 1
1 748 . 17 1 1 A 64 64 PHE CB C 64 38.084 38.075 0.009 1
1 754 . 17 1 1 A 64 64 PHE N N 64 123.270 122.611 0.659 1
1 755 . 17 1 1 A 65 65 GLU H H 65 8.317 8.390 -0.073 1
1 756 . 17 1 1 A 65 65 GLU HA H 65 4.171 4.261 -0.090 1
1 761 . 17 1 1 A 65 65 GLU C C 65 177.913 177.377 0.536 1
1 762 . 17 1 1 A 65 65 GLU CA C 65 57.524 59.123 -1.599 1
1 763 . 17 1 1 A 65 65 GLU CB C 65 29.440 29.888 -0.448 1
1 765 . 17 1 1 A 65 65 GLU N N 65 114.355 120.537 -6.182 1
1 766 . 17 1 1 A 66 66 THR H H 66 7.388 7.845 -0.457 1
1 767 . 17 1 1 A 66 66 THR HA H 66 4.396 4.580 -0.184 1
1 772 . 17 1 1 A 66 66 THR C C 66 174.662 174.651 0.011 1
1 773 . 17 1 1 A 66 66 THR CA C 66 61.316 62.293 -0.977 1
1 774 . 17 1 1 A 66 66 THR CB C 66 69.711 70.981 -1.270 1
1 776 . 17 1 1 A 66 66 THR N N 66 106.424 113.647 -7.223 1
1 777 . 17 1 1 A 67 67 LEU H H 67 6.677 7.444 -0.767 1
1 778 . 17 1 1 A 67 67 LEU HA H 67 4.350 4.201 0.149 1
1 788 . 17 1 1 A 67 67 LEU C C 67 176.647 176.944 -0.297 1
1 789 . 17 1 1 A 67 67 LEU CA C 67 54.104 55.275 -1.171 1
1 790 . 17 1 1 A 67 67 LEU CB C 67 43.365 42.127 1.238 1
1 794 . 17 1 1 A 67 67 LEU N N 67 120.589 124.173 -3.584 1
1 795 . 17 1 1 A 68 68 LYS H H 68 9.947 8.566 1.381 1
1 796 . 17 1 1 A 68 68 LYS HA H 68 4.387 4.316 0.071 1
1 805 . 17 1 1 A 68 68 LYS C C 68 176.786 176.615 0.171 1
1 806 . 17 1 1 A 68 68 LYS CA C 68 55.574 55.013 0.561 1
1 807 . 17 1 1 A 68 68 LYS CB C 68 31.897 31.826 0.071 1
1 811 . 17 1 1 A 68 68 LYS N N 68 123.363 123.734 -0.371 1
1 812 . 17 1 1 A 69 69 PRO HA H 69 4.091 4.471 -0.380 1
1 819 . 17 1 1 A 69 69 PRO C C 69 178.646 176.767 1.879 1
1 820 . 17 1 1 A 69 69 PRO CA C 69 66.153 64.364 1.789 1
1 821 . 17 1 1 A 69 69 PRO CB C 69 31.985 31.776 0.209 1
1 824 . 17 1 1 A 70 70 SER H H 70 8.490 8.216 0.274 1
1 825 . 17 1 1 A 70 70 SER HA H 70 4.231 4.427 -0.196 1
1 828 . 17 1 1 A 70 70 SER C C 70 177.784 175.424 2.360 1
1 829 . 17 1 1 A 70 70 SER CA C 70 60.787 58.802 1.985 1
1 830 . 17 1 1 A 70 70 SER CB C 70 61.797 63.513 -1.716 1
1 831 . 17 1 1 A 70 70 SER N N 70 109.802 112.805 -3.003 1
1 832 . 17 1 1 A 71 71 THR H H 71 7.340 7.897 -0.557 1
1 833 . 17 1 1 A 71 71 THR HA H 71 3.735 4.158 -0.423 1
1 838 . 17 1 1 A 71 71 THR C C 71 176.072 176.682 -0.610 1
1 839 . 17 1 1 A 71 71 THR CA C 71 65.913 65.606 0.307 1
1 840 . 17 1 1 A 71 71 THR CB C 71 67.239 69.254 -2.015 1
1 842 . 17 1 1 A 71 71 THR N N 71 122.295 115.840 6.455 1
1 843 . 17 1 1 A 72 72 LEU H H 72 7.839 7.878 -0.039 1
1 844 . 17 1 1 A 72 72 LEU HA H 72 3.713 3.938 -0.225 1
1 854 . 17 1 1 A 72 72 LEU C C 72 178.998 179.582 -0.584 1
1 855 . 17 1 1 A 72 72 LEU CA C 72 58.622 58.106 0.516 1
1 856 . 17 1 1 A 72 72 LEU CB C 72 40.911 41.354 -0.443 1
1 859 . 17 1 1 A 72 72 LEU N N 72 120.539 121.053 -0.514 1
1 860 . 17 1 1 A 73 73 ARG H H 73 8.244 8.273 -0.029 1
1 861 . 17 1 1 A 73 73 ARG HA H 73 4.100 4.009 0.091 1
1 869 . 17 1 1 A 73 73 ARG C C 73 178.935 179.298 -0.363 1
1 870 . 17 1 1 A 73 73 ARG CA C 73 57.649 59.547 -1.898 1
1 871 . 17 1 1 A 73 73 ARG CB C 73 28.923 29.675 -0.752 1
1 874 . 17 1 1 A 73 73 ARG N N 73 115.473 119.561 -4.088 1
1 876 . 17 1 1 A 74 74 GLU H H 74 7.758 7.722 0.036 1
1 877 . 17 1 1 A 74 74 GLU HA H 74 4.139 4.044 0.095 1
1 882 . 17 1 1 A 74 74 GLU C C 74 179.640 179.156 0.484 1
1 883 . 17 1 1 A 74 74 GLU CA C 74 59.519 59.109 0.410 1
1 884 . 17 1 1 A 74 74 GLU CB C 74 28.670 29.413 -0.743 1
1 886 . 17 1 1 A 74 74 GLU N N 74 122.400 120.145 2.255 1
1 887 . 17 1 1 A 75 75 LEU H H 75 8.387 7.627 0.760 1
1 888 . 17 1 1 A 75 75 LEU HA H 75 4.070 4.137 -0.067 1
1 898 . 17 1 1 A 75 75 LEU C C 75 178.024 178.996 -0.972 1
1 899 . 17 1 1 A 75 75 LEU CA C 75 58.147 57.804 0.343 1
1 900 . 17 1 1 A 75 75 LEU CB C 75 42.673 41.653 1.020 1
1 904 . 17 1 1 A 75 75 LEU N N 75 119.699 120.652 -0.953 1
1 905 . 17 1 1 A 76 76 GLU H H 76 8.537 8.579 -0.042 1
1 906 . 17 1 1 A 76 76 GLU HA H 76 3.751 3.843 -0.092 1
1 911 . 17 1 1 A 76 76 GLU C C 76 178.799 178.978 -0.179 1
1 912 . 17 1 1 A 76 76 GLU CA C 76 59.871 60.077 -0.206 1
1 913 . 17 1 1 A 76 76 GLU CB C 76 30.145 29.222 0.923 1
1 915 . 17 1 1 A 76 76 GLU N N 76 120.074 118.930 1.144 1
1 916 . 17 1 1 A 77 77 ARG H H 77 8.032 8.402 -0.370 1
1 917 . 17 1 1 A 77 77 ARG HA H 77 3.934 3.990 -0.056 1
1 924 . 17 1 1 A 77 77 ARG C C 77 179.220 178.460 0.760 1
1 925 . 17 1 1 A 77 77 ARG CA C 77 59.974 58.891 1.083 1
1 926 . 17 1 1 A 77 77 ARG CB C 77 30.413 29.576 0.837 1
1 929 . 17 1 1 A 77 77 ARG N N 77 120.100 120.358 -0.258 1
1 930 . 17 1 1 A 78 78 TYR H H 78 8.084 8.086 -0.002 1
1 931 . 17 1 1 A 78 78 TYR HA H 78 4.260 4.243 0.017 1
1 938 . 17 1 1 A 78 78 TYR C C 78 178.620 177.263 1.357 1
1 939 . 17 1 1 A 78 78 TYR CA C 78 61.507 61.205 0.302 1
1 940 . 17 1 1 A 78 78 TYR CB C 78 38.440 38.557 -0.117 1
1 945 . 17 1 1 A 78 78 TYR N N 78 120.327 121.028 -0.701 1
1 946 . 17 1 1 A 79 79 VAL H H 79 9.136 8.068 1.068 1
1 947 . 17 1 1 A 79 79 VAL HA H 79 3.161 3.653 -0.492 1
1 955 . 17 1 1 A 79 79 VAL C C 79 178.067 178.164 -0.097 1
1 956 . 17 1 1 A 79 79 VAL CA C 79 67.306 65.708 1.598 1
1 957 . 17 1 1 A 79 79 VAL CB C 79 31.505 31.214 0.291 1
1 960 . 17 1 1 A 79 79 VAL N N 79 120.576 118.957 1.619 1
1 961 . 17 1 1 A 80 80 THR H H 80 8.297 8.243 0.054 1
1 962 . 17 1 1 A 80 80 THR HA H 80 3.721 3.983 -0.262 1
1 967 . 17 1 1 A 80 80 THR C C 80 176.623 175.596 1.027 1
1 968 . 17 1 1 A 80 80 THR CA C 80 66.823 65.978 0.845 1
1 969 . 17 1 1 A 80 80 THR CB C 80 68.508 68.414 0.094 1
1 971 . 17 1 1 A 80 80 THR N N 80 115.107 117.305 -2.198 1
1 972 . 17 1 1 A 81 81 SER H H 81 7.537 7.929 -0.392 1
1 973 . 17 1 1 A 81 81 SER HA H 81 4.165 4.508 -0.343 1
1 976 . 17 1 1 A 81 81 SER C C 81 176.196 176.481 -0.285 1
1 977 . 17 1 1 A 81 81 SER CA C 81 61.371 61.092 0.279 1
1 978 . 17 1 1 A 81 81 SER CB C 81 62.826 63.286 -0.460 1
1 979 . 17 1 1 A 81 81 SER N N 81 116.178 116.116 0.062 1
1 980 . 17 1 1 A 82 82 CYS H H 82 7.523 7.743 -0.220 1
1 981 . 17 1 1 A 82 82 CYS HA H 82 4.084 4.144 -0.060 1
1 984 . 17 1 1 A 82 82 CYS C C 82 176.363 177.143 -0.780 1
1 985 . 17 1 1 A 82 82 CYS CA C 82 62.173 61.808 0.365 1
1 986 . 17 1 1 A 82 82 CYS CB C 82 27.872 26.800 1.072 1
1 987 . 17 1 1 A 82 82 CYS N N 82 118.207 119.811 -1.604 1
1 988 . 17 1 1 A 83 83 LEU H H 83 7.652 7.750 -0.098 1
1 989 . 17 1 1 A 83 83 LEU HA H 83 4.216 4.065 0.151 1
1 999 . 17 1 1 A 83 83 LEU C C 83 177.349 177.202 0.147 1
1 1000 . 17 1 1 A 83 83 LEU CA C 83 55.521 58.030 -2.509 1
1 1001 . 17 1 1 A 83 83 LEU CB C 83 42.550 41.873 0.677 1
1 1005 . 17 1 1 A 83 83 LEU N N 83 118.141 119.603 -1.462 1
1 1006 . 17 1 1 A 84 84 ARG H H 84 7.754 7.597 0.157 1
1 1007 . 17 1 1 A 84 84 ARG HA H 84 4.153 4.680 -0.527 1
1 1014 . 17 1 1 A 84 84 ARG C C 84 176.300 175.728 0.572 1
1 1015 . 17 1 1 A 84 84 ARG CA C 84 56.829 54.760 2.069 1
1 1016 . 17 1 1 A 84 84 ARG CB C 84 29.926 31.968 -2.042 1
1 1019 . 17 1 1 A 84 84 ARG N N 84 118.881 118.854 0.027 1
1 1020 . 17 1 1 A 85 85 LYS H H 85 7.904 8.354 -0.450 1
1 1021 . 17 1 1 A 85 85 LYS HA H 85 4.178 4.147 0.031 1
1 1030 . 17 1 1 A 85 85 LYS C C 85 176.549 176.203 0.346 1
1 1031 . 17 1 1 A 85 85 LYS CA C 85 56.514 56.552 -0.038 1
1 1032 . 17 1 1 A 85 85 LYS CB C 85 32.931 32.636 0.295 1
1 1036 . 17 1 1 A 85 85 LYS N N 85 120.528 122.586 -2.058 1
1 1037 . 17 1 1 A 86 86 LYS H H 86 8.139 8.578 -0.439 1
1 1038 . 17 1 1 A 86 86 LYS HA H 86 4.194 5.112 -0.918 1
1 1047 . 17 1 1 A 86 86 LYS C C 86 176.395 175.516 0.879 1
1 1048 . 17 1 1 A 86 86 LYS CA C 86 56.244 54.600 1.644 1
1 1049 . 17 1 1 A 86 86 LYS CB C 86 32.971 35.052 -2.081 1
1 1053 . 17 1 1 A 86 86 LYS N N 86 121.979 123.928 -1.949 1
1 1054 . 17 1 1 A 87 87 ARG H H 87 8.242 8.914 -0.672 1
1 1055 . 17 1 1 A 87 87 ARG HA H 87 4.223 5.023 -0.800 1
1 1062 . 17 1 1 A 87 87 ARG C C 87 175.989 174.804 1.185 1
1 1063 . 17 1 1 A 87 87 ARG CA C 87 55.953 54.502 1.451 1
1 1064 . 17 1 1 A 87 87 ARG CB C 87 31.019 34.001 -2.982 1
1 1067 . 17 1 1 A 87 87 ARG N N 87 122.606 122.229 0.377 1
1 1068 . 17 1 1 A 88 88 LYS H H 88 8.318 8.356 -0.038 1
1 1069 . 17 1 1 A 88 88 LYS HA H 88 4.506 4.558 -0.052 1
1 1074 . 17 1 1 A 88 88 LYS C C 88 174.589 174.536 0.053 1
1 1075 . 17 1 1 A 88 88 LYS CA C 88 54.349 54.659 -0.310 1
1 1076 . 17 1 1 A 88 88 LYS CB C 88 32.576 31.511 1.065 1
1 1077 . 17 1 1 A 88 88 LYS N N 88 124.253 121.080 3.173 1
1 1078 . 17 1 1 A 89 89 PRO HA H 89 4.327 4.476 -0.149 1
1 1085 . 17 1 1 A 89 89 PRO C C 89 176.044 177.145 -1.101 1
1 1086 . 17 1 1 A 89 89 PRO CA C 89 63.489 63.394 0.095 1
1 1087 . 17 1 1 A 89 89 PRO CB C 89 31.921 31.214 0.707 1
1 1 . 18 1 1 A 4 4 GLY C C 4 174.318 173.543 0.775 1
1 2 . 18 1 1 A 4 4 GLY CA C 4 45.318 44.409 0.909 1
1 3 . 18 1 1 A 5 5 SER H H 5 8.211 8.606 -0.395 1
1 4 . 18 1 1 A 5 5 SER HA H 5 4.460 4.553 -0.093 1
1 7 . 18 1 1 A 5 5 SER C C 5 174.891 174.412 0.479 1
1 8 . 18 1 1 A 5 5 SER CA C 5 58.299 57.950 0.349 1
1 9 . 18 1 1 A 5 5 SER CB C 5 64.052 65.256 -1.204 1
1 10 . 18 1 1 A 5 5 SER N N 5 115.510 114.072 1.438 1
1 11 . 18 1 1 A 6 6 SER H H 6 8.444 8.955 -0.511 1
1 12 . 18 1 1 A 6 6 SER HA H 6 4.428 4.737 -0.309 1
1 15 . 18 1 1 A 6 6 SER C C 6 175.096 174.932 0.164 1
1 16 . 18 1 1 A 6 6 SER CA C 6 58.706 58.505 0.201 1
1 17 . 18 1 1 A 6 6 SER CB C 6 63.920 64.929 -1.009 1
1 18 . 18 1 1 A 6 6 SER N N 6 117.613 115.780 1.833 1
1 19 . 18 1 1 A 7 7 GLY H H 7 8.359 8.194 0.165 1
1 20 . 18 1 1 A 7 7 GLY HA2 H 7 3.916 3.932 -0.016 1
1 21 . 18 1 1 A 7 7 GLY HA3 H 7 3.916 3.933 -0.017 1
1 22 . 18 1 1 A 7 7 GLY C C 7 174.309 174.469 -0.160 1
1 23 . 18 1 1 A 7 7 GLY CA C 7 45.399 46.016 -0.617 1
1 24 . 18 1 1 A 7 7 GLY N N 7 110.468 110.418 0.050 1
1 25 . 18 1 1 A 8 8 GLU H H 8 8.235 8.088 0.147 1
1 26 . 18 1 1 A 8 8 GLU HA H 8 4.248 4.231 0.017 1
1 31 . 18 1 1 A 8 8 GLU C C 8 176.732 176.930 -0.198 1
1 32 . 18 1 1 A 8 8 GLU CA C 8 56.630 55.941 0.689 1
1 33 . 18 1 1 A 8 8 GLU CB C 8 30.243 29.697 0.546 1
1 35 . 18 1 1 A 8 8 GLU N N 8 120.254 121.517 -1.263 1
1 36 . 18 1 1 A 9 9 SER H H 9 8.327 9.118 -0.791 1
1 37 . 18 1 1 A 9 9 SER HA H 9 4.385 4.231 0.154 1
1 40 . 18 1 1 A 9 9 SER C C 9 174.682 174.166 0.516 1
1 41 . 18 1 1 A 9 9 SER CA C 9 58.470 60.109 -1.639 1
1 42 . 18 1 1 A 9 9 SER CB C 9 63.742 61.859 1.883 1
1 43 . 18 1 1 A 9 9 SER N N 9 116.213 120.668 -4.455 1
1 44 . 18 1 1 A 10 10 GLU H H 10 8.428 8.220 0.208 1
1 45 . 18 1 1 A 10 10 GLU HA H 10 4.232 4.013 0.219 1
1 50 . 18 1 1 A 10 10 GLU C C 10 176.769 178.843 -2.074 1
1 51 . 18 1 1 A 10 10 GLU CA C 10 56.887 59.699 -2.812 1
1 52 . 18 1 1 A 10 10 GLU CB C 10 30.267 29.274 0.993 1
1 54 . 18 1 1 A 10 10 GLU N N 10 122.618 120.683 1.935 1
1 55 . 18 1 1 A 11 11 GLU H H 11 8.315 8.875 -0.560 1
1 56 . 18 1 1 A 11 11 GLU HA H 11 4.179 4.058 0.121 1
1 61 . 18 1 1 A 11 11 GLU C C 11 177.182 177.592 -0.410 1
1 62 . 18 1 1 A 11 11 GLU CA C 11 56.896 58.696 -1.800 1
1 63 . 18 1 1 A 11 11 GLU CB C 11 30.317 28.283 2.034 1
1 65 . 18 1 1 A 11 11 GLU N N 11 120.909 117.917 2.992 1
1 66 . 18 1 1 A 12 12 GLU H H 12 8.333 8.448 -0.115 1
1 67 . 18 1 1 A 12 12 GLU HA H 12 4.100 4.234 -0.134 1
1 72 . 18 1 1 A 12 12 GLU C C 12 176.860 176.406 0.454 1
1 73 . 18 1 1 A 12 12 GLU CA C 12 57.495 57.919 -0.424 1
1 74 . 18 1 1 A 12 12 GLU CB C 12 30.221 28.989 1.232 1
1 76 . 18 1 1 A 12 12 GLU N N 12 121.578 117.723 3.855 1
1 77 . 18 1 1 A 13 13 ASP H H 13 8.332 7.418 0.914 1
1 78 . 18 1 1 A 13 13 ASP HA H 13 4.468 4.892 -0.424 1
1 81 . 18 1 1 A 13 13 ASP C C 13 176.833 176.245 0.588 1
1 82 . 18 1 1 A 13 13 ASP CA C 13 54.921 52.638 2.283 1
1 83 . 18 1 1 A 13 13 ASP CB C 13 40.912 39.164 1.748 1
1 84 . 18 1 1 A 13 13 ASP N N 13 120.147 120.325 -0.178 1
1 85 . 18 1 1 A 14 14 LYS H H 14 8.014 8.071 -0.057 1
1 86 . 18 1 1 A 14 14 LYS HA H 14 4.204 4.058 0.146 1
1 95 . 18 1 1 A 14 14 LYS C C 14 176.568 176.506 0.062 1
1 96 . 18 1 1 A 14 14 LYS CA C 14 56.558 58.738 -2.180 1
1 97 . 18 1 1 A 14 14 LYS CB C 14 32.598 32.881 -0.283 1
1 101 . 18 1 1 A 14 14 LYS N N 14 120.485 124.202 -3.717 1
1 102 . 18 1 1 A 15 15 CYS H H 15 8.013 7.615 0.398 1
1 103 . 18 1 1 A 15 15 CYS HA H 15 4.304 4.832 -0.528 1
1 106 . 18 1 1 A 15 15 CYS C C 15 173.801 172.290 1.511 1
1 107 . 18 1 1 A 15 15 CYS CA C 15 58.337 56.743 1.594 1
1 108 . 18 1 1 A 15 15 CYS CB C 15 28.061 30.374 -2.313 1
1 109 . 18 1 1 A 15 15 CYS N N 15 118.099 114.111 3.988 1
1 110 . 18 1 1 A 16 16 LYS H H 16 8.287 8.664 -0.377 1
1 111 . 18 1 1 A 16 16 LYS HA H 16 4.491 4.874 -0.383 1
1 120 . 18 1 1 A 16 16 LYS C C 16 175.117 173.984 1.133 1
1 121 . 18 1 1 A 16 16 LYS CA C 16 54.512 52.949 1.563 1
1 122 . 18 1 1 A 16 16 LYS CB C 16 32.697 34.634 -1.937 1
1 124 . 18 1 1 A 16 16 LYS N N 16 125.369 120.801 4.568 1
1 125 . 18 1 1 A 17 17 PRO HA H 17 4.247 4.614 -0.367 1
1 132 . 18 1 1 A 17 17 PRO C C 17 176.956 175.363 1.593 1
1 133 . 18 1 1 A 17 17 PRO CA C 17 63.088 62.768 0.320 1
1 134 . 18 1 1 A 17 17 PRO CB C 17 32.244 32.541 -0.297 1
1 137 . 18 1 1 A 18 18 MET H H 18 8.516 8.355 0.161 1
1 138 . 18 1 1 A 18 18 MET HA H 18 4.488 5.001 -0.513 1
1 146 . 18 1 1 A 18 18 MET C C 18 176.759 175.329 1.430 1
1 147 . 18 1 1 A 18 18 MET CA C 18 56.169 54.763 1.406 1
1 148 . 18 1 1 A 18 18 MET CB C 18 35.531 35.048 0.483 1
1 151 . 18 1 1 A 18 18 MET N N 18 121.801 120.498 1.303 1
1 152 . 18 1 1 A 19 19 SER H H 19 9.100 8.865 0.235 1
1 153 . 18 1 1 A 19 19 SER HA H 19 4.459 4.674 -0.215 1
1 156 . 18 1 1 A 19 19 SER C C 19 175.018 175.016 0.002 1
1 157 . 18 1 1 A 19 19 SER CA C 19 56.894 58.254 -1.360 1
1 158 . 18 1 1 A 19 19 SER CB C 19 65.854 63.697 2.157 1
1 159 . 18 1 1 A 19 19 SER N N 19 119.212 120.041 -0.829 1
1 160 . 18 1 1 A 20 20 TYR H H 20 8.959 9.235 -0.276 1
1 161 . 18 1 1 A 20 20 TYR HA H 20 4.029 4.128 -0.099 1
1 168 . 18 1 1 A 20 20 TYR C C 20 177.960 177.262 0.698 1
1 169 . 18 1 1 A 20 20 TYR CA C 20 62.463 62.489 -0.026 1
1 170 . 18 1 1 A 20 20 TYR CB C 20 38.009 38.806 -0.797 1
1 175 . 18 1 1 A 20 20 TYR N N 20 121.218 127.266 -6.048 1
1 176 . 18 1 1 A 21 21 GLU H H 21 8.825 8.295 0.530 1
1 177 . 18 1 1 A 21 21 GLU HA H 21 3.811 3.660 0.151 1
1 182 . 18 1 1 A 21 21 GLU C C 21 179.481 179.415 0.066 1
1 183 . 18 1 1 A 21 21 GLU CA C 21 59.951 59.819 0.132 1
1 184 . 18 1 1 A 21 21 GLU CB C 21 28.823 29.177 -0.354 1
1 186 . 18 1 1 A 21 21 GLU N N 21 118.696 117.590 1.106 1
1 187 . 18 1 1 A 22 22 GLU H H 22 7.771 7.910 -0.139 1
1 188 . 18 1 1 A 22 22 GLU HA H 22 3.899 4.054 -0.155 1
1 193 . 18 1 1 A 22 22 GLU C C 22 179.680 178.856 0.824 1
1 194 . 18 1 1 A 22 22 GLU CA C 22 59.498 58.996 0.502 1
1 195 . 18 1 1 A 22 22 GLU CB C 22 30.385 29.651 0.734 1
1 197 . 18 1 1 A 22 22 GLU N N 22 120.141 120.369 -0.228 1
1 198 . 18 1 1 A 23 23 LYS H H 23 8.101 7.727 0.374 1
1 199 . 18 1 1 A 23 23 LYS HA H 23 3.662 3.661 0.001 1
1 208 . 18 1 1 A 23 23 LYS C C 23 178.250 179.107 -0.857 1
1 209 . 18 1 1 A 23 23 LYS CA C 23 60.345 59.641 0.704 1
1 210 . 18 1 1 A 23 23 LYS CB C 23 32.611 32.081 0.530 1
1 214 . 18 1 1 A 23 23 LYS N N 23 120.594 119.657 0.937 1
1 215 . 18 1 1 A 24 24 ARG H H 24 8.030 7.754 0.276 1
1 216 . 18 1 1 A 24 24 ARG HA H 24 3.721 3.743 -0.022 1
1 223 . 18 1 1 A 24 24 ARG C C 24 178.992 178.464 0.528 1
1 224 . 18 1 1 A 24 24 ARG CA C 24 59.055 59.416 -0.361 1
1 225 . 18 1 1 A 24 24 ARG CB C 24 29.623 29.799 -0.176 1
1 228 . 18 1 1 A 24 24 ARG N N 24 120.100 118.782 1.318 1
1 229 . 18 1 1 A 25 25 GLN H H 25 7.940 7.631 0.309 1
1 230 . 18 1 1 A 25 25 GLN HA H 25 3.706 3.953 -0.247 1
1 237 . 18 1 1 A 25 25 GLN C C 25 177.078 177.877 -0.799 1
1 238 . 18 1 1 A 25 25 GLN CA C 25 58.104 58.605 -0.501 1
1 239 . 18 1 1 A 25 25 GLN CB C 25 28.294 28.092 0.202 1
1 241 . 18 1 1 A 25 25 GLN N N 25 118.586 119.441 -0.855 1
1 243 . 18 1 1 A 26 26 LEU H H 26 7.843 7.853 -0.010 1
1 244 . 18 1 1 A 26 26 LEU HA H 26 4.182 4.004 0.178 1
1 254 . 18 1 1 A 26 26 LEU C C 26 178.116 178.438 -0.322 1
1 255 . 18 1 1 A 26 26 LEU CA C 26 57.867 57.850 0.017 1
1 256 . 18 1 1 A 26 26 LEU CB C 26 41.167 41.155 0.012 1
1 259 . 18 1 1 A 26 26 LEU N N 26 119.570 121.007 -1.437 1
1 260 . 18 1 1 A 27 27 SER H H 27 7.710 7.454 0.256 1
1 261 . 18 1 1 A 27 27 SER HA H 27 3.869 4.269 -0.400 1
1 264 . 18 1 1 A 27 27 SER C C 27 176.845 177.504 -0.659 1
1 265 . 18 1 1 A 27 27 SER CA C 27 61.478 61.454 0.024 1
1 266 . 18 1 1 A 27 27 SER CB C 27 62.828 62.849 -0.021 1
1 267 . 18 1 1 A 27 27 SER N N 27 112.126 114.672 -2.546 1
1 268 . 18 1 1 A 28 28 LEU H H 28 7.613 8.158 -0.545 1
1 269 . 18 1 1 A 28 28 LEU HA H 28 3.954 3.947 0.007 1
1 279 . 18 1 1 A 28 28 LEU C C 28 180.044 178.671 1.373 1
1 280 . 18 1 1 A 28 28 LEU CA C 28 57.862 57.921 -0.059 1
1 281 . 18 1 1 A 28 28 LEU CB C 28 41.703 41.477 0.226 1
1 285 . 18 1 1 A 28 28 LEU N N 28 120.774 122.144 -1.370 1
1 286 . 18 1 1 A 29 29 ASP H H 29 8.476 8.067 0.409 1
1 287 . 18 1 1 A 29 29 ASP HA H 29 4.236 4.443 -0.207 1
1 290 . 18 1 1 A 29 29 ASP C C 29 179.532 179.087 0.445 1
1 291 . 18 1 1 A 29 29 ASP CA C 29 57.618 57.424 0.194 1
1 292 . 18 1 1 A 29 29 ASP CB C 29 40.447 40.169 0.278 1
1 293 . 18 1 1 A 29 29 ASP N N 29 120.971 119.088 1.883 1
1 294 . 18 1 1 A 30 30 ILE H H 30 8.558 8.132 0.426 1
1 295 . 18 1 1 A 30 30 ILE HA H 30 3.564 3.720 -0.156 1
1 305 . 18 1 1 A 30 30 ILE C C 30 178.098 177.940 0.158 1
1 306 . 18 1 1 A 30 30 ILE CA C 30 65.616 65.088 0.528 1
1 307 . 18 1 1 A 30 30 ILE CB C 30 37.697 37.724 -0.027 1
1 311 . 18 1 1 A 30 30 ILE N N 30 120.240 121.559 -1.319 1
1 312 . 18 1 1 A 31 31 ASN H H 31 7.350 7.868 -0.518 1
1 313 . 18 1 1 A 31 31 ASN HA H 31 4.560 4.678 -0.118 1
1 318 . 18 1 1 A 31 31 ASN C C 31 175.952 176.298 -0.346 1
1 319 . 18 1 1 A 31 31 ASN CA C 31 54.997 55.319 -0.322 1
1 320 . 18 1 1 A 31 31 ASN CB C 31 38.769 38.165 0.604 1
1 321 . 18 1 1 A 31 31 ASN N N 31 115.285 117.353 -2.068 1
1 323 . 18 1 1 A 32 32 LYS H H 32 7.509 7.771 -0.262 1
1 324 . 18 1 1 A 32 32 LYS HA H 32 4.286 4.350 -0.064 1
1 333 . 18 1 1 A 32 32 LYS C C 32 177.232 176.095 1.137 1
1 334 . 18 1 1 A 32 32 LYS CA C 32 56.330 56.845 -0.515 1
1 335 . 18 1 1 A 32 32 LYS CB C 32 33.570 32.948 0.622 1
1 339 . 18 1 1 A 32 32 LYS N N 32 117.496 117.467 0.029 1
1 340 . 18 1 1 A 33 33 LEU H H 33 7.455 7.415 0.040 1
1 341 . 18 1 1 A 33 33 LEU HA H 33 4.265 4.490 -0.225 1
1 351 . 18 1 1 A 33 33 LEU CA C 33 53.436 51.742 1.694 1
1 352 . 18 1 1 A 33 33 LEU CB C 33 41.464 42.102 -0.638 1
1 356 . 18 1 1 A 33 33 LEU N N 33 120.501 121.297 -0.796 1
1 357 . 18 1 1 A 34 34 PRO HA H 34 4.561 4.601 -0.040 1
1 364 . 18 1 1 A 34 34 PRO C C 34 178.359 178.057 0.302 1
1 365 . 18 1 1 A 34 34 PRO CA C 34 62.251 62.481 -0.230 1
1 366 . 18 1 1 A 34 34 PRO CB C 34 32.489 32.611 -0.122 1
1 369 . 18 1 1 A 35 35 GLY H H 35 8.865 8.764 0.101 1
1 370 . 18 1 1 A 35 35 GLY HA2 H 35 3.709 3.817 -0.108 1
1 371 . 18 1 1 A 35 35 GLY HA3 H 35 4.005 3.823 0.182 1
1 372 . 18 1 1 A 35 35 GLY C C 35 176.845 175.982 0.863 1
1 373 . 18 1 1 A 35 35 GLY CA C 35 48.165 47.378 0.787 1
1 374 . 18 1 1 A 35 35 GLY N N 35 109.986 110.152 -0.166 1
1 375 . 18 1 1 A 36 36 GLU H H 36 9.360 8.586 0.774 1
1 376 . 18 1 1 A 36 36 GLU HA H 36 4.233 4.117 0.116 1
1 381 . 18 1 1 A 36 36 GLU C C 36 178.326 178.084 0.242 1
1 382 . 18 1 1 A 36 36 GLU CA C 36 58.964 59.315 -0.351 1
1 383 . 18 1 1 A 36 36 GLU CB C 36 28.689 29.202 -0.513 1
1 385 . 18 1 1 A 36 36 GLU N N 36 119.485 121.667 -2.182 1
1 386 . 18 1 1 A 37 37 LYS H H 37 7.734 7.685 0.049 1
1 387 . 18 1 1 A 37 37 LYS HA H 37 4.516 4.268 0.248 1
1 396 . 18 1 1 A 37 37 LYS C C 37 178.698 179.107 -0.409 1
1 397 . 18 1 1 A 37 37 LYS CA C 37 55.977 57.975 -1.998 1
1 398 . 18 1 1 A 37 37 LYS CB C 37 32.981 32.688 0.293 1
1 402 . 18 1 1 A 37 37 LYS N N 37 116.668 118.944 -2.276 1
1 403 . 18 1 1 A 38 38 LEU H H 38 7.882 8.133 -0.251 1
1 404 . 18 1 1 A 38 38 LEU HA H 38 4.103 3.988 0.115 1
1 414 . 18 1 1 A 38 38 LEU C C 38 179.042 178.728 0.314 1
1 415 . 18 1 1 A 38 38 LEU CA C 38 57.832 57.955 -0.123 1
1 416 . 18 1 1 A 38 38 LEU CB C 38 41.753 41.901 -0.148 1
1 420 . 18 1 1 A 38 38 LEU N N 38 121.898 121.798 0.100 1
1 421 . 18 1 1 A 39 39 GLY H H 39 8.212 7.836 0.376 1
1 422 . 18 1 1 A 39 39 GLY HA2 H 39 3.720 3.992 -0.272 1
1 423 . 18 1 1 A 39 39 GLY HA3 H 39 3.853 3.997 -0.144 1
1 424 . 18 1 1 A 39 39 GLY C C 39 176.507 175.199 1.308 1
1 425 . 18 1 1 A 39 39 GLY CA C 39 47.218 46.566 0.652 1
1 426 . 18 1 1 A 39 39 GLY N N 39 106.042 106.213 -0.171 1
1 427 . 18 1 1 A 40 40 ARG H H 40 7.416 7.669 -0.253 1
1 428 . 18 1 1 A 40 40 ARG HA H 40 4.031 4.152 -0.121 1
1 435 . 18 1 1 A 40 40 ARG C C 40 177.974 178.632 -0.658 1
1 436 . 18 1 1 A 40 40 ARG CA C 40 57.460 58.043 -0.583 1
1 437 . 18 1 1 A 40 40 ARG CB C 40 29.051 30.064 -1.013 1
1 440 . 18 1 1 A 40 40 ARG N N 40 120.046 120.871 -0.825 1
1 441 . 18 1 1 A 41 41 VAL H H 41 7.417 7.755 -0.338 1
1 442 . 18 1 1 A 41 41 VAL HA H 41 3.285 3.452 -0.167 1
1 450 . 18 1 1 A 41 41 VAL C C 41 177.090 177.724 -0.634 1
1 451 . 18 1 1 A 41 41 VAL CA C 41 66.979 66.401 0.578 1
1 452 . 18 1 1 A 41 41 VAL CB C 41 31.059 31.617 -0.558 1
1 455 . 18 1 1 A 41 41 VAL N N 41 119.285 119.644 -0.359 1
1 456 . 18 1 1 A 42 42 VAL H H 42 7.493 8.314 -0.821 1
1 457 . 18 1 1 A 42 42 VAL HA H 42 3.395 3.619 -0.224 1
1 465 . 18 1 1 A 42 42 VAL C C 42 177.200 177.861 -0.661 1
1 466 . 18 1 1 A 42 42 VAL CA C 42 66.764 65.393 1.371 1
1 467 . 18 1 1 A 42 42 VAL CB C 42 31.296 31.064 0.232 1
1 470 . 18 1 1 A 42 42 VAL N N 42 116.606 119.815 -3.209 1
1 471 . 18 1 1 A 43 43 HIS H H 43 7.602 7.898 -0.296 1
1 472 . 18 1 1 A 43 43 HIS HA H 43 4.264 4.092 0.172 1
1 477 . 18 1 1 A 43 43 HIS C C 43 178.854 177.247 1.607 1
1 478 . 18 1 1 A 43 43 HIS CA C 43 59.824 59.364 0.460 1
1 479 . 18 1 1 A 43 43 HIS CB C 43 30.605 29.787 0.818 1
1 482 . 18 1 1 A 43 43 HIS N N 43 118.867 120.617 -1.750 1
1 483 . 18 1 1 A 44 44 ILE H H 44 8.344 7.900 0.444 1
1 484 . 18 1 1 A 44 44 ILE HA H 44 3.375 3.594 -0.219 1
1 494 . 18 1 1 A 44 44 ILE C C 44 178.054 178.511 -0.457 1
1 495 . 18 1 1 A 44 44 ILE CA C 44 65.922 64.609 1.313 1
1 496 . 18 1 1 A 44 44 ILE CB C 44 37.950 37.598 0.352 1
1 500 . 18 1 1 A 44 44 ILE N N 44 121.530 119.205 2.325 1
1 501 . 18 1 1 A 45 45 ILE H H 45 7.604 8.127 -0.523 1
1 502 . 18 1 1 A 45 45 ILE HA H 45 3.311 3.520 -0.209 1
1 512 . 18 1 1 A 45 45 ILE C C 45 177.378 178.052 -0.674 1
1 513 . 18 1 1 A 45 45 ILE CA C 45 66.577 64.933 1.644 1
1 514 . 18 1 1 A 45 45 ILE CB C 45 38.168 37.452 0.716 1
1 518 . 18 1 1 A 45 45 ILE N N 45 117.572 121.048 -3.476 1
1 519 . 18 1 1 A 46 46 GLN H H 46 8.626 8.027 0.599 1
1 520 . 18 1 1 A 46 46 GLN HA H 46 3.719 3.982 -0.263 1
1 527 . 18 1 1 A 46 46 GLN C C 46 177.483 178.099 -0.616 1
1 528 . 18 1 1 A 46 46 GLN CA C 46 59.443 58.608 0.835 1
1 529 . 18 1 1 A 46 46 GLN CB C 46 28.832 28.172 0.660 1
1 531 . 18 1 1 A 46 46 GLN N N 46 115.916 118.925 -3.009 1
1 533 . 18 1 1 A 47 47 SER H H 47 7.862 7.734 0.128 1
1 534 . 18 1 1 A 47 47 SER HA H 47 4.064 4.180 -0.116 1
1 537 . 18 1 1 A 47 47 SER C C 47 175.615 175.456 0.159 1
1 538 . 18 1 1 A 47 47 SER CA C 47 60.602 61.131 -0.529 1
1 539 . 18 1 1 A 47 47 SER CB C 47 63.313 63.123 0.190 1
1 540 . 18 1 1 A 47 47 SER N N 47 110.902 115.703 -4.801 1
1 541 . 18 1 1 A 48 48 ARG H H 48 7.362 7.984 -0.622 1
1 542 . 18 1 1 A 48 48 ARG HA H 48 4.306 4.397 -0.091 1
1 549 . 18 1 1 A 48 48 ARG C C 48 176.365 176.048 0.317 1
1 550 . 18 1 1 A 48 48 ARG CA C 48 55.992 56.908 -0.916 1
1 551 . 18 1 1 A 48 48 ARG CB C 48 33.000 31.336 1.664 1
1 554 . 18 1 1 A 48 48 ARG N N 48 118.403 118.110 0.293 1
1 555 . 18 1 1 A 49 49 GLU H H 49 7.714 7.836 -0.122 1
1 556 . 18 1 1 A 49 49 GLU HA H 49 4.806 4.729 0.077 1
1 561 . 18 1 1 A 49 49 GLU C C 49 174.213 174.994 -0.781 1
1 562 . 18 1 1 A 49 49 GLU CA C 49 52.903 53.373 -0.470 1
1 563 . 18 1 1 A 49 49 GLU CB C 49 28.835 30.322 -1.487 1
1 565 . 18 1 1 A 49 49 GLU N N 49 118.387 118.515 -0.128 1
1 566 . 18 1 1 A 50 50 PRO HA H 50 4.273 4.261 0.012 1
1 573 . 18 1 1 A 50 50 PRO C C 50 178.412 178.917 -0.505 1
1 574 . 18 1 1 A 50 50 PRO CA C 50 64.641 65.006 -0.365 1
1 575 . 18 1 1 A 50 50 PRO CB C 50 32.045 32.244 -0.199 1
1 578 . 18 1 1 A 51 51 SER H H 51 8.290 8.313 -0.023 1
1 579 . 18 1 1 A 51 51 SER HA H 51 4.271 4.179 0.092 1
1 582 . 18 1 1 A 51 51 SER C C 51 175.130 176.203 -1.073 1
1 583 . 18 1 1 A 51 51 SER CA C 51 59.824 61.775 -1.951 1
1 584 . 18 1 1 A 51 51 SER CB C 51 63.071 62.961 0.110 1
1 585 . 18 1 1 A 51 51 SER N N 51 112.214 114.616 -2.402 1
1 586 . 18 1 1 A 52 52 LEU H H 52 7.882 8.341 -0.459 1
1 587 . 18 1 1 A 52 52 LEU HA H 52 4.479 4.030 0.449 1
1 597 . 18 1 1 A 52 52 LEU C C 52 177.843 179.056 -1.213 1
1 598 . 18 1 1 A 52 52 LEU CA C 52 54.734 57.269 -2.535 1
1 599 . 18 1 1 A 52 52 LEU CB C 52 42.500 41.055 1.445 1
1 603 . 18 1 1 A 52 52 LEU N N 52 121.800 120.641 1.159 1
1 604 . 18 1 1 A 53 53 LYS H H 53 7.638 7.898 -0.260 1
1 605 . 18 1 1 A 53 53 LYS HA H 53 4.022 3.923 0.099 1
1 614 . 18 1 1 A 53 53 LYS C C 53 176.270 178.169 -1.899 1
1 615 . 18 1 1 A 53 53 LYS CA C 53 58.288 58.804 -0.516 1
1 616 . 18 1 1 A 53 53 LYS CB C 53 32.924 31.963 0.961 1
1 620 . 18 1 1 A 53 53 LYS N N 53 121.559 120.875 0.684 1
1 621 . 18 1 1 A 54 54 ASN H H 54 8.266 7.600 0.666 1
1 622 . 18 1 1 A 54 54 ASN HA H 54 4.732 4.726 0.006 1
1 627 . 18 1 1 A 54 54 ASN C C 54 175.097 175.585 -0.488 1
1 628 . 18 1 1 A 54 54 ASN CA C 54 53.020 53.703 -0.683 1
1 629 . 18 1 1 A 54 54 ASN CB C 54 38.863 39.199 -0.336 1
1 630 . 18 1 1 A 54 54 ASN N N 54 116.053 115.674 0.379 1
1 632 . 18 1 1 A 55 55 SER H H 55 7.692 7.620 0.072 1
1 633 . 18 1 1 A 55 55 SER HA H 55 4.288 4.595 -0.307 1
1 636 . 18 1 1 A 55 55 SER C C 55 173.418 174.231 -0.813 1
1 637 . 18 1 1 A 55 55 SER CA C 55 58.900 58.112 0.788 1
1 638 . 18 1 1 A 55 55 SER CB C 55 63.914 64.804 -0.890 1
1 639 . 18 1 1 A 55 55 SER N N 55 115.901 116.011 -0.110 1
1 640 . 18 1 1 A 56 56 ASN H H 56 8.574 8.516 0.058 1
1 641 . 18 1 1 A 56 56 ASN HA H 56 4.857 5.164 -0.307 1
1 646 . 18 1 1 A 56 56 ASN C C 56 174.843 175.175 -0.332 1
1 647 . 18 1 1 A 56 56 ASN CA C 56 50.974 50.432 0.542 1
1 648 . 18 1 1 A 56 56 ASN CB C 56 38.744 40.029 -1.285 1
1 649 . 18 1 1 A 56 56 ASN N N 56 122.245 121.649 0.596 1
1 651 . 18 1 1 A 57 57 PRO HA H 57 4.079 4.257 -0.178 1
1 658 . 18 1 1 A 57 57 PRO C C 57 176.856 177.275 -0.419 1
1 659 . 18 1 1 A 57 57 PRO CA C 57 64.733 65.391 -0.658 1
1 660 . 18 1 1 A 57 57 PRO CB C 57 31.968 31.510 0.458 1
1 663 . 18 1 1 A 58 58 ASP H H 58 8.024 8.455 -0.431 1
1 664 . 18 1 1 A 58 58 ASP HA H 58 4.445 4.711 -0.266 1
1 667 . 18 1 1 A 58 58 ASP C C 58 176.369 176.994 -0.625 1
1 668 . 18 1 1 A 58 58 ASP CA C 58 55.247 54.768 0.479 1
1 669 . 18 1 1 A 58 58 ASP CB C 58 40.828 40.704 0.124 1
1 670 . 18 1 1 A 58 58 ASP N N 58 114.883 116.983 -2.100 1
1 671 . 18 1 1 A 59 59 GLU H H 59 7.663 7.963 -0.300 1
1 672 . 18 1 1 A 59 59 GLU HA H 59 4.341 4.495 -0.154 1
1 677 . 18 1 1 A 59 59 GLU C C 59 175.690 175.030 0.660 1
1 678 . 18 1 1 A 59 59 GLU CA C 59 55.425 55.807 -0.382 1
1 679 . 18 1 1 A 59 59 GLU CB C 59 31.140 31.289 -0.149 1
1 681 . 18 1 1 A 59 59 GLU N N 59 117.763 117.590 0.173 1
1 682 . 18 1 1 A 60 60 ILE H H 60 7.457 7.373 0.084 1
1 683 . 18 1 1 A 60 60 ILE HA H 60 3.962 4.217 -0.255 1
1 693 . 18 1 1 A 60 60 ILE C C 60 174.951 174.885 0.066 1
1 694 . 18 1 1 A 60 60 ILE CA C 60 61.416 60.831 0.585 1
1 695 . 18 1 1 A 60 60 ILE CB C 60 38.693 37.959 0.734 1
1 699 . 18 1 1 A 60 60 ILE N N 60 120.600 121.280 -0.680 1
1 700 . 18 1 1 A 61 61 GLU H H 61 8.267 8.603 -0.336 1
1 701 . 18 1 1 A 61 61 GLU HA H 61 4.333 4.387 -0.054 1
1 706 . 18 1 1 A 61 61 GLU C C 61 175.576 176.108 -0.532 1
1 707 . 18 1 1 A 61 61 GLU CA C 61 55.085 56.482 -1.397 1
1 708 . 18 1 1 A 61 61 GLU CB C 61 30.717 29.806 0.911 1
1 710 . 18 1 1 A 61 61 GLU N N 61 126.935 127.676 -0.741 1
1 711 . 18 1 1 A 62 62 ILE H H 62 8.425 8.850 -0.425 1
1 712 . 18 1 1 A 62 62 ILE HA H 62 3.570 4.589 -1.019 1
1 722 . 18 1 1 A 62 62 ILE C C 62 174.594 174.030 0.564 1
1 723 . 18 1 1 A 62 62 ILE CA C 62 61.570 59.700 1.870 1
1 724 . 18 1 1 A 62 62 ILE CB C 62 38.187 38.195 -0.008 1
1 728 . 18 1 1 A 62 62 ILE N N 62 124.857 126.457 -1.600 1
1 729 . 18 1 1 A 63 63 ASP H H 63 8.459 8.498 -0.039 1
1 730 . 18 1 1 A 63 63 ASP HA H 63 4.691 5.241 -0.550 1
1 733 . 18 1 1 A 63 63 ASP C C 63 177.284 175.347 1.937 1
1 734 . 18 1 1 A 63 63 ASP CA C 63 52.272 52.645 -0.373 1
1 735 . 18 1 1 A 63 63 ASP CB C 63 41.160 44.093 -2.933 1
1 736 . 18 1 1 A 63 63 ASP N N 63 126.597 128.037 -1.440 1
1 737 . 18 1 1 A 64 64 PHE H H 64 8.609 8.961 -0.352 1
1 738 . 18 1 1 A 64 64 PHE HA H 64 4.016 4.517 -0.501 1
1 746 . 18 1 1 A 64 64 PHE C C 64 177.010 176.728 0.282 1
1 747 . 18 1 1 A 64 64 PHE CA C 64 59.795 59.078 0.717 1
1 748 . 18 1 1 A 64 64 PHE CB C 64 38.084 39.333 -1.249 1
1 754 . 18 1 1 A 64 64 PHE N N 64 123.270 124.842 -1.572 1
1 755 . 18 1 1 A 65 65 GLU H H 65 8.317 8.167 0.150 1
1 756 . 18 1 1 A 65 65 GLU HA H 65 4.171 4.406 -0.235 1
1 761 . 18 1 1 A 65 65 GLU C C 65 177.913 178.609 -0.696 1
1 762 . 18 1 1 A 65 65 GLU CA C 65 57.524 58.418 -0.894 1
1 763 . 18 1 1 A 65 65 GLU CB C 65 29.440 30.512 -1.072 1
1 765 . 18 1 1 A 65 65 GLU N N 65 114.355 120.187 -5.832 1
1 766 . 18 1 1 A 66 66 THR H H 66 7.388 8.056 -0.668 1
1 767 . 18 1 1 A 66 66 THR HA H 66 4.396 4.222 0.174 1
1 772 . 18 1 1 A 66 66 THR C C 66 174.662 174.598 0.064 1
1 773 . 18 1 1 A 66 66 THR CA C 66 61.316 65.596 -4.280 1
1 774 . 18 1 1 A 66 66 THR CB C 66 69.711 68.906 0.805 1
1 776 . 18 1 1 A 66 66 THR N N 66 106.424 115.679 -9.255 1
1 777 . 18 1 1 A 67 67 LEU H H 67 6.677 7.512 -0.835 1
1 778 . 18 1 1 A 67 67 LEU HA H 67 4.350 4.200 0.150 1
1 788 . 18 1 1 A 67 67 LEU C C 67 176.647 177.146 -0.499 1
1 789 . 18 1 1 A 67 67 LEU CA C 67 54.104 55.278 -1.174 1
1 790 . 18 1 1 A 67 67 LEU CB C 67 43.365 42.151 1.214 1
1 794 . 18 1 1 A 67 67 LEU N N 67 120.589 123.155 -2.566 1
1 795 . 18 1 1 A 68 68 LYS H H 68 9.947 8.790 1.157 1
1 796 . 18 1 1 A 68 68 LYS HA H 68 4.387 4.447 -0.060 1
1 805 . 18 1 1 A 68 68 LYS C C 68 176.786 176.741 0.045 1
1 806 . 18 1 1 A 68 68 LYS CA C 68 55.574 54.396 1.178 1
1 807 . 18 1 1 A 68 68 LYS CB C 68 31.897 31.870 0.027 1
1 811 . 18 1 1 A 68 68 LYS N N 68 123.363 121.717 1.646 1
1 812 . 18 1 1 A 69 69 PRO HA H 69 4.091 4.360 -0.269 1
1 819 . 18 1 1 A 69 69 PRO C C 69 178.646 178.053 0.593 1
1 820 . 18 1 1 A 69 69 PRO CA C 69 66.153 65.154 0.999 1
1 821 . 18 1 1 A 69 69 PRO CB C 69 31.985 31.959 0.026 1
1 824 . 18 1 1 A 70 70 SER H H 70 8.490 8.279 0.211 1
1 825 . 18 1 1 A 70 70 SER HA H 70 4.231 4.196 0.035 1
1 828 . 18 1 1 A 70 70 SER C C 70 177.784 177.422 0.362 1
1 829 . 18 1 1 A 70 70 SER CA C 70 60.787 61.349 -0.562 1
1 830 . 18 1 1 A 70 70 SER CB C 70 61.797 62.184 -0.387 1
1 831 . 18 1 1 A 70 70 SER N N 70 109.802 113.247 -3.445 1
1 832 . 18 1 1 A 71 71 THR H H 71 7.340 7.575 -0.235 1
1 833 . 18 1 1 A 71 71 THR HA H 71 3.735 4.033 -0.298 1
1 838 . 18 1 1 A 71 71 THR C C 71 176.072 176.447 -0.375 1
1 839 . 18 1 1 A 71 71 THR CA C 71 65.913 66.822 -0.909 1
1 840 . 18 1 1 A 71 71 THR CB C 71 67.239 68.478 -1.239 1
1 842 . 18 1 1 A 71 71 THR N N 71 122.295 117.028 5.267 1
1 843 . 18 1 1 A 72 72 LEU H H 72 7.839 8.257 -0.418 1
1 844 . 18 1 1 A 72 72 LEU HA H 72 3.713 4.051 -0.338 1
1 854 . 18 1 1 A 72 72 LEU C C 72 178.998 179.456 -0.458 1
1 855 . 18 1 1 A 72 72 LEU CA C 72 58.622 57.846 0.776 1
1 856 . 18 1 1 A 72 72 LEU CB C 72 40.911 40.965 -0.054 1
1 859 . 18 1 1 A 72 72 LEU N N 72 120.539 121.130 -0.591 1
1 860 . 18 1 1 A 73 73 ARG H H 73 8.244 8.201 0.043 1
1 861 . 18 1 1 A 73 73 ARG HA H 73 4.100 3.990 0.110 1
1 869 . 18 1 1 A 73 73 ARG C C 73 178.935 178.947 -0.012 1
1 870 . 18 1 1 A 73 73 ARG CA C 73 57.649 59.869 -2.220 1
1 871 . 18 1 1 A 73 73 ARG CB C 73 28.923 29.810 -0.887 1
1 874 . 18 1 1 A 73 73 ARG N N 73 115.473 119.481 -4.008 1
1 876 . 18 1 1 A 74 74 GLU H H 74 7.758 7.748 0.010 1
1 877 . 18 1 1 A 74 74 GLU HA H 74 4.139 4.152 -0.013 1
1 882 . 18 1 1 A 74 74 GLU C C 74 179.640 179.814 -0.174 1
1 883 . 18 1 1 A 74 74 GLU CA C 74 59.519 58.751 0.768 1
1 884 . 18 1 1 A 74 74 GLU CB C 74 28.670 30.218 -1.548 1
1 886 . 18 1 1 A 74 74 GLU N N 74 122.400 119.564 2.836 1
1 887 . 18 1 1 A 75 75 LEU H H 75 8.387 8.164 0.223 1
1 888 . 18 1 1 A 75 75 LEU HA H 75 4.070 4.052 0.018 1
1 898 . 18 1 1 A 75 75 LEU C C 75 178.024 179.156 -1.132 1
1 899 . 18 1 1 A 75 75 LEU CA C 75 58.147 58.170 -0.023 1
1 900 . 18 1 1 A 75 75 LEU CB C 75 42.673 41.294 1.379 1
1 904 . 18 1 1 A 75 75 LEU N N 75 119.699 120.096 -0.397 1
1 905 . 18 1 1 A 76 76 GLU H H 76 8.537 8.575 -0.038 1
1 906 . 18 1 1 A 76 76 GLU HA H 76 3.751 3.882 -0.131 1
1 911 . 18 1 1 A 76 76 GLU C C 76 178.799 178.785 0.014 1
1 912 . 18 1 1 A 76 76 GLU CA C 76 59.871 60.058 -0.187 1
1 913 . 18 1 1 A 76 76 GLU CB C 76 30.145 29.089 1.056 1
1 915 . 18 1 1 A 76 76 GLU N N 76 120.074 119.752 0.322 1
1 916 . 18 1 1 A 77 77 ARG H H 77 8.032 7.774 0.258 1
1 917 . 18 1 1 A 77 77 ARG HA H 77 3.934 4.042 -0.108 1
1 924 . 18 1 1 A 77 77 ARG C C 77 179.220 178.142 1.078 1
1 925 . 18 1 1 A 77 77 ARG CA C 77 59.974 59.030 0.944 1
1 926 . 18 1 1 A 77 77 ARG CB C 77 30.413 29.924 0.489 1
1 929 . 18 1 1 A 77 77 ARG N N 77 120.100 120.653 -0.553 1
1 930 . 18 1 1 A 78 78 TYR H H 78 8.084 8.078 0.006 1
1 931 . 18 1 1 A 78 78 TYR HA H 78 4.260 4.217 0.043 1
1 938 . 18 1 1 A 78 78 TYR C C 78 178.620 177.267 1.353 1
1 939 . 18 1 1 A 78 78 TYR CA C 78 61.507 61.223 0.284 1
1 940 . 18 1 1 A 78 78 TYR CB C 78 38.440 38.565 -0.125 1
1 945 . 18 1 1 A 78 78 TYR N N 78 120.327 120.494 -0.167 1
1 946 . 18 1 1 A 79 79 VAL H H 79 9.136 8.274 0.862 1
1 947 . 18 1 1 A 79 79 VAL HA H 79 3.161 3.656 -0.495 1
1 955 . 18 1 1 A 79 79 VAL C C 79 178.067 178.360 -0.293 1
1 956 . 18 1 1 A 79 79 VAL CA C 79 67.306 65.578 1.728 1
1 957 . 18 1 1 A 79 79 VAL CB C 79 31.505 31.520 -0.015 1
1 960 . 18 1 1 A 79 79 VAL N N 79 120.576 118.999 1.577 1
1 961 . 18 1 1 A 80 80 THR H H 80 8.297 8.075 0.222 1
1 962 . 18 1 1 A 80 80 THR HA H 80 3.721 4.056 -0.335 1
1 967 . 18 1 1 A 80 80 THR C C 80 176.623 176.193 0.430 1
1 968 . 18 1 1 A 80 80 THR CA C 80 66.823 65.147 1.676 1
1 969 . 18 1 1 A 80 80 THR CB C 80 68.508 68.382 0.126 1
1 971 . 18 1 1 A 80 80 THR N N 80 115.107 117.113 -2.006 1
1 972 . 18 1 1 A 81 81 SER H H 81 7.537 7.856 -0.319 1
1 973 . 18 1 1 A 81 81 SER HA H 81 4.165 4.282 -0.117 1
1 976 . 18 1 1 A 81 81 SER C C 81 176.196 176.003 0.193 1
1 977 . 18 1 1 A 81 81 SER CA C 81 61.371 61.418 -0.047 1
1 978 . 18 1 1 A 81 81 SER CB C 81 62.826 63.682 -0.856 1
1 979 . 18 1 1 A 81 81 SER N N 81 116.178 117.422 -1.244 1
1 980 . 18 1 1 A 82 82 CYS H H 82 7.523 7.995 -0.472 1
1 981 . 18 1 1 A 82 82 CYS HA H 82 4.084 4.238 -0.154 1
1 984 . 18 1 1 A 82 82 CYS C C 82 176.363 175.980 0.383 1
1 985 . 18 1 1 A 82 82 CYS CA C 82 62.173 62.941 -0.768 1
1 986 . 18 1 1 A 82 82 CYS CB C 82 27.872 27.213 0.659 1
1 987 . 18 1 1 A 82 82 CYS N N 82 118.207 119.085 -0.878 1
1 988 . 18 1 1 A 83 83 LEU H H 83 7.652 7.882 -0.230 1
1 989 . 18 1 1 A 83 83 LEU HA H 83 4.216 4.288 -0.072 1
1 999 . 18 1 1 A 83 83 LEU C C 83 177.349 176.437 0.912 1
1 1000 . 18 1 1 A 83 83 LEU CA C 83 55.521 56.196 -0.675 1
1 1001 . 18 1 1 A 83 83 LEU CB C 83 42.550 42.641 -0.091 1
1 1005 . 18 1 1 A 83 83 LEU N N 83 118.141 117.536 0.605 1
1 1006 . 18 1 1 A 84 84 ARG H H 84 7.754 7.510 0.244 1
1 1007 . 18 1 1 A 84 84 ARG HA H 84 4.153 4.112 0.041 1
1 1014 . 18 1 1 A 84 84 ARG C C 84 176.300 176.379 -0.079 1
1 1015 . 18 1 1 A 84 84 ARG CA C 84 56.829 57.050 -0.221 1
1 1016 . 18 1 1 A 84 84 ARG CB C 84 29.926 28.599 1.327 1
1 1019 . 18 1 1 A 84 84 ARG N N 84 118.881 118.539 0.342 1
1 1020 . 18 1 1 A 85 85 LYS H H 85 7.904 7.808 0.096 1
1 1021 . 18 1 1 A 85 85 LYS HA H 85 4.178 4.483 -0.305 1
1 1030 . 18 1 1 A 85 85 LYS C C 85 176.549 174.987 1.562 1
1 1031 . 18 1 1 A 85 85 LYS CA C 85 56.514 55.151 1.363 1
1 1032 . 18 1 1 A 85 85 LYS CB C 85 32.931 32.732 0.199 1
1 1036 . 18 1 1 A 85 85 LYS N N 85 120.528 120.722 -0.194 1
1 1037 . 18 1 1 A 86 86 LYS H H 86 8.139 7.593 0.546 1
1 1038 . 18 1 1 A 86 86 LYS HA H 86 4.194 4.792 -0.598 1
1 1047 . 18 1 1 A 86 86 LYS C C 86 176.395 175.340 1.055 1
1 1048 . 18 1 1 A 86 86 LYS CA C 86 56.244 55.640 0.604 1
1 1049 . 18 1 1 A 86 86 LYS CB C 86 32.971 33.991 -1.020 1
1 1053 . 18 1 1 A 86 86 LYS N N 86 121.979 123.973 -1.994 1
1 1054 . 18 1 1 A 87 87 ARG H H 87 8.242 8.629 -0.387 1
1 1055 . 18 1 1 A 87 87 ARG HA H 87 4.223 4.894 -0.671 1
1 1062 . 18 1 1 A 87 87 ARG C C 87 175.989 174.903 1.086 1
1 1063 . 18 1 1 A 87 87 ARG CA C 87 55.953 54.330 1.623 1
1 1064 . 18 1 1 A 87 87 ARG CB C 87 31.019 33.643 -2.624 1
1 1067 . 18 1 1 A 87 87 ARG N N 87 122.606 122.738 -0.132 1
1 1068 . 18 1 1 A 88 88 LYS H H 88 8.318 8.760 -0.442 1
1 1069 . 18 1 1 A 88 88 LYS HA H 88 4.506 3.816 0.690 1
1 1074 . 18 1 1 A 88 88 LYS C C 88 174.589 175.289 -0.700 1
1 1075 . 18 1 1 A 88 88 LYS CA C 88 54.349 56.812 -2.463 1
1 1076 . 18 1 1 A 88 88 LYS CB C 88 32.576 31.088 1.488 1
1 1077 . 18 1 1 A 88 88 LYS N N 88 124.253 117.280 6.973 1
1 1078 . 18 1 1 A 89 89 PRO HA H 89 4.327 4.530 -0.203 1
1 1085 . 18 1 1 A 89 89 PRO C C 89 176.044 177.111 -1.067 1
1 1086 . 18 1 1 A 89 89 PRO CA C 89 63.489 62.764 0.725 1
1 1087 . 18 1 1 A 89 89 PRO CB C 89 31.921 31.509 0.412 1
1 1 . 19 1 1 A 4 4 GLY C C 4 174.318 171.204 3.114 1
1 2 . 19 1 1 A 4 4 GLY CA C 4 45.318 44.379 0.939 1
1 3 . 19 1 1 A 5 5 SER H H 5 8.211 8.323 -0.112 1
1 4 . 19 1 1 A 5 5 SER HA H 5 4.460 4.931 -0.471 1
1 7 . 19 1 1 A 5 5 SER C C 5 174.891 173.209 1.682 1
1 8 . 19 1 1 A 5 5 SER CA C 5 58.299 56.004 2.295 1
1 9 . 19 1 1 A 5 5 SER CB C 5 64.052 65.084 -1.032 1
1 10 . 19 1 1 A 5 5 SER N N 5 115.510 115.028 0.482 1
1 11 . 19 1 1 A 6 6 SER H H 6 8.444 8.504 -0.060 1
1 12 . 19 1 1 A 6 6 SER HA H 6 4.428 4.870 -0.442 1
1 15 . 19 1 1 A 6 6 SER C C 6 175.096 174.312 0.784 1
1 16 . 19 1 1 A 6 6 SER CA C 6 58.706 56.393 2.313 1
1 17 . 19 1 1 A 6 6 SER CB C 6 63.920 64.824 -0.904 1
1 18 . 19 1 1 A 6 6 SER N N 6 117.613 115.162 2.451 1
1 19 . 19 1 1 A 7 7 GLY H H 7 8.359 8.532 -0.173 1
1 20 . 19 1 1 A 7 7 GLY HA2 H 7 3.916 4.038 -0.122 1
1 21 . 19 1 1 A 7 7 GLY HA3 H 7 3.916 4.038 -0.122 1
1 22 . 19 1 1 A 7 7 GLY C C 7 174.309 172.932 1.377 1
1 23 . 19 1 1 A 7 7 GLY CA C 7 45.399 44.790 0.609 1
1 24 . 19 1 1 A 7 7 GLY N N 7 110.468 109.239 1.229 1
1 25 . 19 1 1 A 8 8 GLU H H 8 8.235 8.491 -0.256 1
1 26 . 19 1 1 A 8 8 GLU HA H 8 4.248 5.281 -1.033 1
1 31 . 19 1 1 A 8 8 GLU C C 8 176.732 175.190 1.542 1
1 32 . 19 1 1 A 8 8 GLU CA C 8 56.630 54.664 1.966 1
1 33 . 19 1 1 A 8 8 GLU CB C 8 30.243 33.902 -3.659 1
1 35 . 19 1 1 A 8 8 GLU N N 8 120.254 120.727 -0.473 1
1 36 . 19 1 1 A 9 9 SER H H 9 8.327 8.852 -0.525 1
1 37 . 19 1 1 A 9 9 SER HA H 9 4.385 5.092 -0.707 1
1 40 . 19 1 1 A 9 9 SER C C 9 174.682 173.731 0.951 1
1 41 . 19 1 1 A 9 9 SER CA C 9 58.470 57.670 0.800 1
1 42 . 19 1 1 A 9 9 SER CB C 9 63.742 65.512 -1.770 1
1 43 . 19 1 1 A 9 9 SER N N 9 116.213 117.565 -1.352 1
1 44 . 19 1 1 A 10 10 GLU H H 10 8.428 8.784 -0.356 1
1 45 . 19 1 1 A 10 10 GLU HA H 10 4.232 4.450 -0.218 1
1 50 . 19 1 1 A 10 10 GLU C C 10 176.769 178.745 -1.976 1
1 51 . 19 1 1 A 10 10 GLU CA C 10 56.887 56.931 -0.044 1
1 52 . 19 1 1 A 10 10 GLU CB C 10 30.267 30.295 -0.028 1
1 54 . 19 1 1 A 10 10 GLU N N 10 122.618 125.825 -3.207 1
1 55 . 19 1 1 A 11 11 GLU H H 11 8.315 8.481 -0.166 1
1 56 . 19 1 1 A 11 11 GLU HA H 11 4.179 4.090 0.089 1
1 61 . 19 1 1 A 11 11 GLU C C 11 177.182 177.031 0.151 1
1 62 . 19 1 1 A 11 11 GLU CA C 11 56.896 58.343 -1.447 1
1 63 . 19 1 1 A 11 11 GLU CB C 11 30.317 28.301 2.016 1
1 65 . 19 1 1 A 11 11 GLU N N 11 120.909 118.734 2.175 1
1 66 . 19 1 1 A 12 12 GLU H H 12 8.333 8.145 0.188 1
1 67 . 19 1 1 A 12 12 GLU HA H 12 4.100 4.371 -0.271 1
1 72 . 19 1 1 A 12 12 GLU C C 12 176.860 175.949 0.911 1
1 73 . 19 1 1 A 12 12 GLU CA C 12 57.495 56.925 0.570 1
1 74 . 19 1 1 A 12 12 GLU CB C 12 30.221 29.826 0.395 1
1 76 . 19 1 1 A 12 12 GLU N N 12 121.578 116.753 4.825 1
1 77 . 19 1 1 A 13 13 ASP H H 13 8.332 7.905 0.427 1
1 78 . 19 1 1 A 13 13 ASP HA H 13 4.468 4.890 -0.422 1
1 81 . 19 1 1 A 13 13 ASP C C 13 176.833 173.817 3.016 1
1 82 . 19 1 1 A 13 13 ASP CA C 13 54.921 53.232 1.689 1
1 83 . 19 1 1 A 13 13 ASP CB C 13 40.912 40.736 0.176 1
1 84 . 19 1 1 A 13 13 ASP N N 13 120.147 120.896 -0.749 1
1 85 . 19 1 1 A 14 14 LYS H H 14 8.014 8.540 -0.526 1
1 86 . 19 1 1 A 14 14 LYS HA H 14 4.204 4.833 -0.629 1
1 95 . 19 1 1 A 14 14 LYS C C 14 176.568 175.893 0.675 1
1 96 . 19 1 1 A 14 14 LYS CA C 14 56.558 54.405 2.153 1
1 97 . 19 1 1 A 14 14 LYS CB C 14 32.598 35.633 -3.035 1
1 101 . 19 1 1 A 14 14 LYS N N 14 120.485 123.367 -2.882 1
1 102 . 19 1 1 A 15 15 CYS H H 15 8.013 8.633 -0.620 1
1 103 . 19 1 1 A 15 15 CYS HA H 15 4.304 4.931 -0.627 1
1 106 . 19 1 1 A 15 15 CYS C C 15 173.801 174.125 -0.324 1
1 107 . 19 1 1 A 15 15 CYS CA C 15 58.337 58.280 0.057 1
1 108 . 19 1 1 A 15 15 CYS CB C 15 28.061 28.943 -0.882 1
1 109 . 19 1 1 A 15 15 CYS N N 15 118.099 119.162 -1.063 1
1 110 . 19 1 1 A 16 16 LYS H H 16 8.287 7.428 0.859 1
1 111 . 19 1 1 A 16 16 LYS HA H 16 4.491 4.378 0.113 1
1 120 . 19 1 1 A 16 16 LYS C C 16 175.117 174.685 0.432 1
1 121 . 19 1 1 A 16 16 LYS CA C 16 54.512 55.160 -0.648 1
1 122 . 19 1 1 A 16 16 LYS CB C 16 32.697 31.596 1.101 1
1 124 . 19 1 1 A 16 16 LYS N N 16 125.369 121.667 3.702 1
1 125 . 19 1 1 A 17 17 PRO HA H 17 4.247 4.572 -0.325 1
1 132 . 19 1 1 A 17 17 PRO C C 17 176.956 176.816 0.140 1
1 133 . 19 1 1 A 17 17 PRO CA C 17 63.088 62.993 0.095 1
1 134 . 19 1 1 A 17 17 PRO CB C 17 32.244 31.811 0.433 1
1 137 . 19 1 1 A 18 18 MET H H 18 8.516 8.442 0.074 1
1 138 . 19 1 1 A 18 18 MET HA H 18 4.488 5.048 -0.560 1
1 146 . 19 1 1 A 18 18 MET C C 18 176.759 176.248 0.511 1
1 147 . 19 1 1 A 18 18 MET CA C 18 56.169 54.208 1.961 1
1 148 . 19 1 1 A 18 18 MET CB C 18 35.531 32.446 3.085 1
1 151 . 19 1 1 A 18 18 MET N N 18 121.801 122.646 -0.845 1
1 152 . 19 1 1 A 19 19 SER H H 19 9.100 8.971 0.129 1
1 153 . 19 1 1 A 19 19 SER HA H 19 4.459 4.504 -0.045 1
1 156 . 19 1 1 A 19 19 SER C C 19 175.018 174.897 0.121 1
1 157 . 19 1 1 A 19 19 SER CA C 19 56.894 58.910 -2.016 1
1 158 . 19 1 1 A 19 19 SER CB C 19 65.854 64.355 1.499 1
1 159 . 19 1 1 A 19 19 SER N N 19 119.212 120.892 -1.680 1
1 160 . 19 1 1 A 20 20 TYR H H 20 8.959 9.218 -0.259 1
1 161 . 19 1 1 A 20 20 TYR HA H 20 4.029 4.168 -0.139 1
1 168 . 19 1 1 A 20 20 TYR C C 20 177.960 177.553 0.407 1
1 169 . 19 1 1 A 20 20 TYR CA C 20 62.463 62.417 0.046 1
1 170 . 19 1 1 A 20 20 TYR CB C 20 38.009 38.799 -0.790 1
1 175 . 19 1 1 A 20 20 TYR N N 20 121.218 124.325 -3.107 1
1 176 . 19 1 1 A 21 21 GLU H H 21 8.825 8.049 0.776 1
1 177 . 19 1 1 A 21 21 GLU HA H 21 3.811 4.092 -0.281 1
1 182 . 19 1 1 A 21 21 GLU C C 21 179.481 179.008 0.473 1
1 183 . 19 1 1 A 21 21 GLU CA C 21 59.951 59.009 0.942 1
1 184 . 19 1 1 A 21 21 GLU CB C 21 28.823 29.146 -0.323 1
1 186 . 19 1 1 A 21 21 GLU N N 21 118.696 118.963 -0.267 1
1 187 . 19 1 1 A 22 22 GLU H H 22 7.771 8.213 -0.442 1
1 188 . 19 1 1 A 22 22 GLU HA H 22 3.899 4.035 -0.136 1
1 193 . 19 1 1 A 22 22 GLU C C 22 179.680 179.200 0.480 1
1 194 . 19 1 1 A 22 22 GLU CA C 22 59.498 59.039 0.459 1
1 195 . 19 1 1 A 22 22 GLU CB C 22 30.385 29.566 0.819 1
1 197 . 19 1 1 A 22 22 GLU N N 22 120.141 121.035 -0.894 1
1 198 . 19 1 1 A 23 23 LYS H H 23 8.101 7.863 0.238 1
1 199 . 19 1 1 A 23 23 LYS HA H 23 3.662 3.740 -0.078 1
1 208 . 19 1 1 A 23 23 LYS C C 23 178.250 179.066 -0.816 1
1 209 . 19 1 1 A 23 23 LYS CA C 23 60.345 59.618 0.727 1
1 210 . 19 1 1 A 23 23 LYS CB C 23 32.611 31.961 0.650 1
1 214 . 19 1 1 A 23 23 LYS N N 23 120.594 119.679 0.915 1
1 215 . 19 1 1 A 24 24 ARG H H 24 8.030 7.501 0.529 1
1 216 . 19 1 1 A 24 24 ARG HA H 24 3.721 3.965 -0.244 1
1 223 . 19 1 1 A 24 24 ARG C C 24 178.992 178.726 0.266 1
1 224 . 19 1 1 A 24 24 ARG CA C 24 59.055 59.204 -0.149 1
1 225 . 19 1 1 A 24 24 ARG CB C 24 29.623 29.849 -0.226 1
1 228 . 19 1 1 A 24 24 ARG N N 24 120.100 118.811 1.289 1
1 229 . 19 1 1 A 25 25 GLN H H 25 7.940 7.910 0.030 1
1 230 . 19 1 1 A 25 25 GLN HA H 25 3.706 3.972 -0.266 1
1 237 . 19 1 1 A 25 25 GLN C C 25 177.078 177.750 -0.672 1
1 238 . 19 1 1 A 25 25 GLN CA C 25 58.104 58.681 -0.577 1
1 239 . 19 1 1 A 25 25 GLN CB C 25 28.294 28.095 0.199 1
1 241 . 19 1 1 A 25 25 GLN N N 25 118.586 119.717 -1.131 1
1 243 . 19 1 1 A 26 26 LEU H H 26 7.843 7.845 -0.002 1
1 244 . 19 1 1 A 26 26 LEU HA H 26 4.182 3.973 0.209 1
1 254 . 19 1 1 A 26 26 LEU C C 26 178.116 178.622 -0.506 1
1 255 . 19 1 1 A 26 26 LEU CA C 26 57.867 57.569 0.298 1
1 256 . 19 1 1 A 26 26 LEU CB C 26 41.167 41.236 -0.069 1
1 259 . 19 1 1 A 26 26 LEU N N 26 119.570 121.250 -1.680 1
1 260 . 19 1 1 A 27 27 SER H H 27 7.710 7.529 0.181 1
1 261 . 19 1 1 A 27 27 SER HA H 27 3.869 4.211 -0.342 1
1 264 . 19 1 1 A 27 27 SER C C 27 176.845 177.532 -0.687 1
1 265 . 19 1 1 A 27 27 SER CA C 27 61.478 61.428 0.050 1
1 266 . 19 1 1 A 27 27 SER CB C 27 62.828 62.903 -0.075 1
1 267 . 19 1 1 A 27 27 SER N N 27 112.126 114.454 -2.328 1
1 268 . 19 1 1 A 28 28 LEU H H 28 7.613 8.040 -0.427 1
1 269 . 19 1 1 A 28 28 LEU HA H 28 3.954 3.887 0.067 1
1 279 . 19 1 1 A 28 28 LEU C C 28 180.044 179.044 1.000 1
1 280 . 19 1 1 A 28 28 LEU CA C 28 57.862 58.090 -0.228 1
1 281 . 19 1 1 A 28 28 LEU CB C 28 41.703 41.650 0.053 1
1 285 . 19 1 1 A 28 28 LEU N N 28 120.774 121.979 -1.205 1
1 286 . 19 1 1 A 29 29 ASP H H 29 8.476 8.172 0.304 1
1 287 . 19 1 1 A 29 29 ASP HA H 29 4.236 4.499 -0.263 1
1 290 . 19 1 1 A 29 29 ASP C C 29 179.532 179.102 0.430 1
1 291 . 19 1 1 A 29 29 ASP CA C 29 57.618 57.484 0.134 1
1 292 . 19 1 1 A 29 29 ASP CB C 29 40.447 40.540 -0.093 1
1 293 . 19 1 1 A 29 29 ASP N N 29 120.971 118.573 2.398 1
1 294 . 19 1 1 A 30 30 ILE H H 30 8.558 7.895 0.663 1
1 295 . 19 1 1 A 30 30 ILE HA H 30 3.564 3.656 -0.092 1
1 305 . 19 1 1 A 30 30 ILE C C 30 178.098 177.981 0.117 1
1 306 . 19 1 1 A 30 30 ILE CA C 30 65.616 64.813 0.803 1
1 307 . 19 1 1 A 30 30 ILE CB C 30 37.697 37.191 0.506 1
1 311 . 19 1 1 A 30 30 ILE N N 30 120.240 121.016 -0.776 1
1 312 . 19 1 1 A 31 31 ASN H H 31 7.350 8.086 -0.736 1
1 313 . 19 1 1 A 31 31 ASN HA H 31 4.560 4.649 -0.089 1
1 318 . 19 1 1 A 31 31 ASN C C 31 175.952 176.690 -0.738 1
1 319 . 19 1 1 A 31 31 ASN CA C 31 54.997 55.982 -0.985 1
1 320 . 19 1 1 A 31 31 ASN CB C 31 38.769 38.133 0.636 1
1 321 . 19 1 1 A 31 31 ASN N N 31 115.285 120.116 -4.831 1
1 323 . 19 1 1 A 32 32 LYS H H 32 7.509 7.259 0.250 1
1 324 . 19 1 1 A 32 32 LYS HA H 32 4.286 4.305 -0.019 1
1 333 . 19 1 1 A 32 32 LYS C C 32 177.232 176.482 0.750 1
1 334 . 19 1 1 A 32 32 LYS CA C 32 56.330 56.762 -0.432 1
1 335 . 19 1 1 A 32 32 LYS CB C 32 33.570 32.740 0.830 1
1 339 . 19 1 1 A 32 32 LYS N N 32 117.496 117.007 0.489 1
1 340 . 19 1 1 A 33 33 LEU H H 33 7.455 6.948 0.507 1
1 341 . 19 1 1 A 33 33 LEU HA H 33 4.265 4.395 -0.130 1
1 351 . 19 1 1 A 33 33 LEU CA C 33 53.436 53.261 0.175 1
1 352 . 19 1 1 A 33 33 LEU CB C 33 41.464 40.510 0.954 1
1 356 . 19 1 1 A 33 33 LEU N N 33 120.501 121.127 -0.626 1
1 357 . 19 1 1 A 34 34 PRO HA H 34 4.561 4.634 -0.073 1
1 364 . 19 1 1 A 34 34 PRO C C 34 178.359 178.000 0.359 1
1 365 . 19 1 1 A 34 34 PRO CA C 34 62.251 62.426 -0.175 1
1 366 . 19 1 1 A 34 34 PRO CB C 34 32.489 32.659 -0.170 1
1 369 . 19 1 1 A 35 35 GLY H H 35 8.865 8.769 0.096 1
1 370 . 19 1 1 A 35 35 GLY HA2 H 35 3.709 3.830 -0.121 1
1 371 . 19 1 1 A 35 35 GLY HA3 H 35 4.005 3.833 0.172 1
1 372 . 19 1 1 A 35 35 GLY C C 35 176.845 175.729 1.116 1
1 373 . 19 1 1 A 35 35 GLY CA C 35 48.165 47.410 0.755 1
1 374 . 19 1 1 A 35 35 GLY N N 35 109.986 111.072 -1.086 1
1 375 . 19 1 1 A 36 36 GLU H H 36 9.360 8.399 0.961 1
1 376 . 19 1 1 A 36 36 GLU HA H 36 4.233 4.007 0.226 1
1 381 . 19 1 1 A 36 36 GLU C C 36 178.326 179.857 -1.531 1
1 382 . 19 1 1 A 36 36 GLU CA C 36 58.964 59.546 -0.582 1
1 383 . 19 1 1 A 36 36 GLU CB C 36 28.689 29.324 -0.635 1
1 385 . 19 1 1 A 36 36 GLU N N 36 119.485 121.328 -1.843 1
1 386 . 19 1 1 A 37 37 LYS H H 37 7.734 7.966 -0.232 1
1 387 . 19 1 1 A 37 37 LYS HA H 37 4.516 4.184 0.332 1
1 396 . 19 1 1 A 37 37 LYS C C 37 178.698 179.440 -0.742 1
1 397 . 19 1 1 A 37 37 LYS CA C 37 55.977 58.019 -2.042 1
1 398 . 19 1 1 A 37 37 LYS CB C 37 32.981 32.615 0.366 1
1 402 . 19 1 1 A 37 37 LYS N N 37 116.668 119.241 -2.573 1
1 403 . 19 1 1 A 38 38 LEU H H 38 7.882 8.024 -0.142 1
1 404 . 19 1 1 A 38 38 LEU HA H 38 4.103 3.992 0.111 1
1 414 . 19 1 1 A 38 38 LEU C C 38 179.042 178.791 0.251 1
1 415 . 19 1 1 A 38 38 LEU CA C 38 57.832 57.943 -0.111 1
1 416 . 19 1 1 A 38 38 LEU CB C 38 41.753 41.849 -0.096 1
1 420 . 19 1 1 A 38 38 LEU N N 38 121.898 121.833 0.065 1
1 421 . 19 1 1 A 39 39 GLY H H 39 8.212 8.282 -0.070 1
1 422 . 19 1 1 A 39 39 GLY HA2 H 39 3.720 3.880 -0.160 1
1 423 . 19 1 1 A 39 39 GLY HA3 H 39 3.853 3.916 -0.063 1
1 424 . 19 1 1 A 39 39 GLY C C 39 176.507 174.973 1.534 1
1 425 . 19 1 1 A 39 39 GLY CA C 39 47.218 46.487 0.731 1
1 426 . 19 1 1 A 39 39 GLY N N 39 106.042 106.026 0.016 1
1 427 . 19 1 1 A 40 40 ARG H H 40 7.416 7.839 -0.423 1
1 428 . 19 1 1 A 40 40 ARG HA H 40 4.031 4.263 -0.232 1
1 435 . 19 1 1 A 40 40 ARG C C 40 177.974 178.793 -0.819 1
1 436 . 19 1 1 A 40 40 ARG CA C 40 57.460 58.285 -0.825 1
1 437 . 19 1 1 A 40 40 ARG CB C 40 29.051 29.795 -0.744 1
1 440 . 19 1 1 A 40 40 ARG N N 40 120.046 120.851 -0.805 1
1 441 . 19 1 1 A 41 41 VAL H H 41 7.417 7.917 -0.500 1
1 442 . 19 1 1 A 41 41 VAL HA H 41 3.285 3.592 -0.307 1
1 450 . 19 1 1 A 41 41 VAL C C 41 177.090 177.677 -0.587 1
1 451 . 19 1 1 A 41 41 VAL CA C 41 66.979 66.469 0.510 1
1 452 . 19 1 1 A 41 41 VAL CB C 41 31.059 31.628 -0.569 1
1 455 . 19 1 1 A 41 41 VAL N N 41 119.285 119.770 -0.485 1
1 456 . 19 1 1 A 42 42 VAL H H 42 7.493 8.188 -0.695 1
1 457 . 19 1 1 A 42 42 VAL HA H 42 3.395 3.645 -0.250 1
1 465 . 19 1 1 A 42 42 VAL C C 42 177.200 177.828 -0.628 1
1 466 . 19 1 1 A 42 42 VAL CA C 42 66.764 65.326 1.438 1
1 467 . 19 1 1 A 42 42 VAL CB C 42 31.296 31.034 0.262 1
1 470 . 19 1 1 A 42 42 VAL N N 42 116.606 120.197 -3.591 1
1 471 . 19 1 1 A 43 43 HIS H H 43 7.602 7.653 -0.051 1
1 472 . 19 1 1 A 43 43 HIS HA H 43 4.264 4.283 -0.019 1
1 477 . 19 1 1 A 43 43 HIS C C 43 178.854 177.962 0.892 1
1 478 . 19 1 1 A 43 43 HIS CA C 43 59.824 60.156 -0.332 1
1 479 . 19 1 1 A 43 43 HIS CB C 43 30.605 30.116 0.489 1
1 482 . 19 1 1 A 43 43 HIS N N 43 118.867 119.449 -0.582 1
1 483 . 19 1 1 A 44 44 ILE H H 44 8.344 8.002 0.342 1
1 484 . 19 1 1 A 44 44 ILE HA H 44 3.375 3.556 -0.181 1
1 494 . 19 1 1 A 44 44 ILE C C 44 178.054 178.605 -0.551 1
1 495 . 19 1 1 A 44 44 ILE CA C 44 65.922 64.795 1.127 1
1 496 . 19 1 1 A 44 44 ILE CB C 44 37.950 37.703 0.247 1
1 500 . 19 1 1 A 44 44 ILE N N 44 121.530 120.029 1.501 1
1 501 . 19 1 1 A 45 45 ILE H H 45 7.604 8.175 -0.571 1
1 502 . 19 1 1 A 45 45 ILE HA H 45 3.311 3.627 -0.316 1
1 512 . 19 1 1 A 45 45 ILE C C 45 177.378 178.607 -1.229 1
1 513 . 19 1 1 A 45 45 ILE CA C 45 66.577 64.981 1.596 1
1 514 . 19 1 1 A 45 45 ILE CB C 45 38.168 37.262 0.906 1
1 518 . 19 1 1 A 45 45 ILE N N 45 117.572 121.270 -3.698 1
1 519 . 19 1 1 A 46 46 GLN H H 46 8.626 7.922 0.704 1
1 520 . 19 1 1 A 46 46 GLN HA H 46 3.719 4.119 -0.400 1
1 527 . 19 1 1 A 46 46 GLN C C 46 177.483 178.190 -0.707 1
1 528 . 19 1 1 A 46 46 GLN CA C 46 59.443 58.495 0.948 1
1 529 . 19 1 1 A 46 46 GLN CB C 46 28.832 28.516 0.316 1
1 531 . 19 1 1 A 46 46 GLN N N 46 115.916 119.614 -3.698 1
1 533 . 19 1 1 A 47 47 SER H H 47 7.862 7.690 0.172 1
1 534 . 19 1 1 A 47 47 SER HA H 47 4.064 4.256 -0.192 1
1 537 . 19 1 1 A 47 47 SER C C 47 175.615 177.333 -1.718 1
1 538 . 19 1 1 A 47 47 SER CA C 47 60.602 61.421 -0.819 1
1 539 . 19 1 1 A 47 47 SER CB C 47 63.313 62.886 0.427 1
1 540 . 19 1 1 A 47 47 SER N N 47 110.902 115.854 -4.952 1
1 541 . 19 1 1 A 48 48 ARG H H 48 7.362 7.882 -0.520 1
1 542 . 19 1 1 A 48 48 ARG HA H 48 4.306 4.177 0.129 1
1 549 . 19 1 1 A 48 48 ARG C C 48 176.365 176.702 -0.337 1
1 550 . 19 1 1 A 48 48 ARG CA C 48 55.992 59.152 -3.160 1
1 551 . 19 1 1 A 48 48 ARG CB C 48 33.000 30.407 2.593 1
1 554 . 19 1 1 A 48 48 ARG N N 48 118.403 120.348 -1.945 1
1 555 . 19 1 1 A 49 49 GLU H H 49 7.714 7.694 0.020 1
1 556 . 19 1 1 A 49 49 GLU HA H 49 4.806 4.647 0.159 1
1 561 . 19 1 1 A 49 49 GLU C C 49 174.213 174.975 -0.762 1
1 562 . 19 1 1 A 49 49 GLU CA C 49 52.903 53.460 -0.557 1
1 563 . 19 1 1 A 49 49 GLU CB C 49 28.835 28.992 -0.157 1
1 565 . 19 1 1 A 49 49 GLU N N 49 118.387 119.412 -1.025 1
1 566 . 19 1 1 A 50 50 PRO HA H 50 4.273 4.281 -0.008 1
1 573 . 19 1 1 A 50 50 PRO C C 50 178.412 178.015 0.397 1
1 574 . 19 1 1 A 50 50 PRO CA C 50 64.641 64.983 -0.342 1
1 575 . 19 1 1 A 50 50 PRO CB C 50 32.045 32.258 -0.213 1
1 578 . 19 1 1 A 51 51 SER H H 51 8.290 8.167 0.123 1
1 579 . 19 1 1 A 51 51 SER HA H 51 4.271 4.227 0.044 1
1 582 . 19 1 1 A 51 51 SER C C 51 175.130 177.498 -2.368 1
1 583 . 19 1 1 A 51 51 SER CA C 51 59.824 61.219 -1.395 1
1 584 . 19 1 1 A 51 51 SER CB C 51 63.071 62.956 0.115 1
1 585 . 19 1 1 A 51 51 SER N N 51 112.214 112.472 -0.258 1
1 586 . 19 1 1 A 52 52 LEU H H 52 7.882 8.448 -0.566 1
1 587 . 19 1 1 A 52 52 LEU HA H 52 4.479 4.072 0.407 1
1 597 . 19 1 1 A 52 52 LEU C C 52 177.843 178.980 -1.137 1
1 598 . 19 1 1 A 52 52 LEU CA C 52 54.734 56.780 -2.046 1
1 599 . 19 1 1 A 52 52 LEU CB C 52 42.500 41.103 1.397 1
1 603 . 19 1 1 A 52 52 LEU N N 52 121.800 120.637 1.163 1
1 604 . 19 1 1 A 53 53 LYS H H 53 7.638 7.776 -0.138 1
1 605 . 19 1 1 A 53 53 LYS HA H 53 4.022 4.040 -0.018 1
1 614 . 19 1 1 A 53 53 LYS C C 53 176.270 178.332 -2.062 1
1 615 . 19 1 1 A 53 53 LYS CA C 53 58.288 59.055 -0.767 1
1 616 . 19 1 1 A 53 53 LYS CB C 53 32.924 32.056 0.868 1
1 620 . 19 1 1 A 53 53 LYS N N 53 121.559 120.902 0.657 1
1 621 . 19 1 1 A 54 54 ASN H H 54 8.266 7.916 0.350 1
1 622 . 19 1 1 A 54 54 ASN HA H 54 4.732 4.738 -0.006 1
1 627 . 19 1 1 A 54 54 ASN C C 54 175.097 175.680 -0.583 1
1 628 . 19 1 1 A 54 54 ASN CA C 54 53.020 54.212 -1.192 1
1 629 . 19 1 1 A 54 54 ASN CB C 54 38.863 39.237 -0.374 1
1 630 . 19 1 1 A 54 54 ASN N N 54 116.053 115.702 0.351 1
1 632 . 19 1 1 A 55 55 SER H H 55 7.692 7.679 0.013 1
1 633 . 19 1 1 A 55 55 SER HA H 55 4.288 4.657 -0.369 1
1 636 . 19 1 1 A 55 55 SER C C 55 173.418 174.061 -0.643 1
1 637 . 19 1 1 A 55 55 SER CA C 55 58.900 57.813 1.087 1
1 638 . 19 1 1 A 55 55 SER CB C 55 63.914 65.314 -1.400 1
1 639 . 19 1 1 A 55 55 SER N N 55 115.901 115.624 0.277 1
1 640 . 19 1 1 A 56 56 ASN H H 56 8.574 8.506 0.068 1
1 641 . 19 1 1 A 56 56 ASN HA H 56 4.857 5.073 -0.216 1
1 646 . 19 1 1 A 56 56 ASN C C 56 174.843 175.660 -0.817 1
1 647 . 19 1 1 A 56 56 ASN CA C 56 50.974 51.464 -0.490 1
1 648 . 19 1 1 A 56 56 ASN CB C 56 38.744 39.578 -0.834 1
1 649 . 19 1 1 A 56 56 ASN N N 56 122.245 121.564 0.681 1
1 651 . 19 1 1 A 57 57 PRO HA H 57 4.079 4.251 -0.172 1
1 658 . 19 1 1 A 57 57 PRO C C 57 176.856 177.686 -0.830 1
1 659 . 19 1 1 A 57 57 PRO CA C 57 64.733 65.303 -0.570 1
1 660 . 19 1 1 A 57 57 PRO CB C 57 31.968 31.583 0.385 1
1 663 . 19 1 1 A 58 58 ASP H H 58 8.024 8.371 -0.347 1
1 664 . 19 1 1 A 58 58 ASP HA H 58 4.445 4.473 -0.028 1
1 667 . 19 1 1 A 58 58 ASP C C 58 176.369 177.093 -0.724 1
1 668 . 19 1 1 A 58 58 ASP CA C 58 55.247 55.807 -0.560 1
1 669 . 19 1 1 A 58 58 ASP CB C 58 40.828 40.402 0.426 1
1 670 . 19 1 1 A 58 58 ASP N N 58 114.883 116.691 -1.808 1
1 671 . 19 1 1 A 59 59 GLU H H 59 7.663 7.565 0.098 1
1 672 . 19 1 1 A 59 59 GLU HA H 59 4.341 4.399 -0.058 1
1 677 . 19 1 1 A 59 59 GLU C C 59 175.690 176.321 -0.631 1
1 678 . 19 1 1 A 59 59 GLU CA C 59 55.425 56.580 -1.155 1
1 679 . 19 1 1 A 59 59 GLU CB C 59 31.140 30.064 1.076 1
1 681 . 19 1 1 A 59 59 GLU N N 59 117.763 116.462 1.301 1
1 682 . 19 1 1 A 60 60 ILE H H 60 7.457 7.290 0.167 1
1 683 . 19 1 1 A 60 60 ILE HA H 60 3.962 4.199 -0.237 1
1 693 . 19 1 1 A 60 60 ILE C C 60 174.951 175.365 -0.414 1
1 694 . 19 1 1 A 60 60 ILE CA C 60 61.416 60.630 0.786 1
1 695 . 19 1 1 A 60 60 ILE CB C 60 38.693 39.225 -0.532 1
1 699 . 19 1 1 A 60 60 ILE N N 60 120.600 121.058 -0.458 1
1 700 . 19 1 1 A 61 61 GLU H H 61 8.267 8.919 -0.652 1
1 701 . 19 1 1 A 61 61 GLU HA H 61 4.333 5.012 -0.679 1
1 706 . 19 1 1 A 61 61 GLU C C 61 175.576 174.790 0.786 1
1 707 . 19 1 1 A 61 61 GLU CA C 61 55.085 54.870 0.215 1
1 708 . 19 1 1 A 61 61 GLU CB C 61 30.717 32.142 -1.425 1
1 710 . 19 1 1 A 61 61 GLU N N 61 126.935 122.887 4.048 1
1 711 . 19 1 1 A 62 62 ILE H H 62 8.425 8.618 -0.193 1
1 712 . 19 1 1 A 62 62 ILE HA H 62 3.570 4.393 -0.823 1
1 722 . 19 1 1 A 62 62 ILE C C 62 174.594 174.852 -0.258 1
1 723 . 19 1 1 A 62 62 ILE CA C 62 61.570 60.751 0.819 1
1 724 . 19 1 1 A 62 62 ILE CB C 62 38.187 36.903 1.284 1
1 728 . 19 1 1 A 62 62 ILE N N 62 124.857 125.173 -0.316 1
1 729 . 19 1 1 A 63 63 ASP H H 63 8.459 8.774 -0.315 1
1 730 . 19 1 1 A 63 63 ASP HA H 63 4.691 4.943 -0.252 1
1 733 . 19 1 1 A 63 63 ASP C C 63 177.284 175.454 1.830 1
1 734 . 19 1 1 A 63 63 ASP CA C 63 52.272 52.327 -0.055 1
1 735 . 19 1 1 A 63 63 ASP CB C 63 41.160 44.179 -3.019 1
1 736 . 19 1 1 A 63 63 ASP N N 63 126.597 128.399 -1.802 1
1 737 . 19 1 1 A 64 64 PHE H H 64 8.609 8.590 0.019 1
1 738 . 19 1 1 A 64 64 PHE HA H 64 4.016 4.517 -0.501 1
1 746 . 19 1 1 A 64 64 PHE C C 64 177.010 176.092 0.918 1
1 747 . 19 1 1 A 64 64 PHE CA C 64 59.795 59.066 0.729 1
1 748 . 19 1 1 A 64 64 PHE CB C 64 38.084 38.910 -0.826 1
1 754 . 19 1 1 A 64 64 PHE N N 64 123.270 122.002 1.268 1
1 755 . 19 1 1 A 65 65 GLU H H 65 8.317 8.253 0.064 1
1 756 . 19 1 1 A 65 65 GLU HA H 65 4.171 4.387 -0.216 1
1 761 . 19 1 1 A 65 65 GLU C C 65 177.913 178.641 -0.728 1
1 762 . 19 1 1 A 65 65 GLU CA C 65 57.524 57.878 -0.354 1
1 763 . 19 1 1 A 65 65 GLU CB C 65 29.440 30.513 -1.073 1
1 765 . 19 1 1 A 65 65 GLU N N 65 114.355 116.896 -2.541 1
1 766 . 19 1 1 A 66 66 THR H H 66 7.388 7.829 -0.441 1
1 767 . 19 1 1 A 66 66 THR HA H 66 4.396 4.416 -0.020 1
1 772 . 19 1 1 A 66 66 THR C C 66 174.662 174.484 0.178 1
1 773 . 19 1 1 A 66 66 THR CA C 66 61.316 64.446 -3.130 1
1 774 . 19 1 1 A 66 66 THR CB C 66 69.711 69.934 -0.223 1
1 776 . 19 1 1 A 66 66 THR N N 66 106.424 114.150 -7.726 1
1 777 . 19 1 1 A 67 67 LEU H H 67 6.677 7.041 -0.364 1
1 778 . 19 1 1 A 67 67 LEU HA H 67 4.350 4.307 0.043 1
1 788 . 19 1 1 A 67 67 LEU C C 67 176.647 177.196 -0.549 1
1 789 . 19 1 1 A 67 67 LEU CA C 67 54.104 54.841 -0.737 1
1 790 . 19 1 1 A 67 67 LEU CB C 67 43.365 42.737 0.628 1
1 794 . 19 1 1 A 67 67 LEU N N 67 120.589 123.310 -2.721 1
1 795 . 19 1 1 A 68 68 LYS H H 68 9.947 8.692 1.255 1
1 796 . 19 1 1 A 68 68 LYS HA H 68 4.387 4.382 0.005 1
1 805 . 19 1 1 A 68 68 LYS C C 68 176.786 176.778 0.008 1
1 806 . 19 1 1 A 68 68 LYS CA C 68 55.574 54.921 0.653 1
1 807 . 19 1 1 A 68 68 LYS CB C 68 31.897 31.895 0.002 1
1 811 . 19 1 1 A 68 68 LYS N N 68 123.363 122.224 1.139 1
1 812 . 19 1 1 A 69 69 PRO HA H 69 4.091 4.333 -0.242 1
1 819 . 19 1 1 A 69 69 PRO C C 69 178.646 178.130 0.516 1
1 820 . 19 1 1 A 69 69 PRO CA C 69 66.153 64.966 1.187 1
1 821 . 19 1 1 A 69 69 PRO CB C 69 31.985 32.039 -0.054 1
1 824 . 19 1 1 A 70 70 SER H H 70 8.490 8.266 0.224 1
1 825 . 19 1 1 A 70 70 SER HA H 70 4.231 4.203 0.028 1
1 828 . 19 1 1 A 70 70 SER C C 70 177.784 177.382 0.402 1
1 829 . 19 1 1 A 70 70 SER CA C 70 60.787 61.327 -0.540 1
1 830 . 19 1 1 A 70 70 SER CB C 70 61.797 62.331 -0.534 1
1 831 . 19 1 1 A 70 70 SER N N 70 109.802 113.067 -3.265 1
1 832 . 19 1 1 A 71 71 THR H H 71 7.340 7.591 -0.251 1
1 833 . 19 1 1 A 71 71 THR HA H 71 3.735 3.923 -0.188 1
1 838 . 19 1 1 A 71 71 THR C C 71 176.072 176.433 -0.361 1
1 839 . 19 1 1 A 71 71 THR CA C 71 65.913 67.228 -1.315 1
1 840 . 19 1 1 A 71 71 THR CB C 71 67.239 68.874 -1.635 1
1 842 . 19 1 1 A 71 71 THR N N 71 122.295 117.088 5.207 1
1 843 . 19 1 1 A 72 72 LEU H H 72 7.839 7.895 -0.056 1
1 844 . 19 1 1 A 72 72 LEU HA H 72 3.713 3.949 -0.236 1
1 854 . 19 1 1 A 72 72 LEU C C 72 178.998 179.581 -0.583 1
1 855 . 19 1 1 A 72 72 LEU CA C 72 58.622 57.874 0.748 1
1 856 . 19 1 1 A 72 72 LEU CB C 72 40.911 40.895 0.016 1
1 859 . 19 1 1 A 72 72 LEU N N 72 120.539 119.351 1.188 1
1 860 . 19 1 1 A 73 73 ARG H H 73 8.244 7.886 0.358 1
1 861 . 19 1 1 A 73 73 ARG HA H 73 4.100 3.972 0.128 1
1 869 . 19 1 1 A 73 73 ARG C C 73 178.935 178.978 -0.043 1
1 870 . 19 1 1 A 73 73 ARG CA C 73 57.649 59.546 -1.897 1
1 871 . 19 1 1 A 73 73 ARG CB C 73 28.923 29.685 -0.762 1
1 874 . 19 1 1 A 73 73 ARG N N 73 115.473 119.400 -3.927 1
1 876 . 19 1 1 A 74 74 GLU H H 74 7.758 7.828 -0.070 1
1 877 . 19 1 1 A 74 74 GLU HA H 74 4.139 4.106 0.033 1
1 882 . 19 1 1 A 74 74 GLU C C 74 179.640 179.597 0.043 1
1 883 . 19 1 1 A 74 74 GLU CA C 74 59.519 59.191 0.328 1
1 884 . 19 1 1 A 74 74 GLU CB C 74 28.670 29.462 -0.792 1
1 886 . 19 1 1 A 74 74 GLU N N 74 122.400 120.235 2.165 1
1 887 . 19 1 1 A 75 75 LEU H H 75 8.387 8.006 0.381 1
1 888 . 19 1 1 A 75 75 LEU HA H 75 4.070 4.075 -0.005 1
1 898 . 19 1 1 A 75 75 LEU C C 75 178.024 178.902 -0.878 1
1 899 . 19 1 1 A 75 75 LEU CA C 75 58.147 58.198 -0.051 1
1 900 . 19 1 1 A 75 75 LEU CB C 75 42.673 40.946 1.727 1
1 904 . 19 1 1 A 75 75 LEU N N 75 119.699 120.330 -0.631 1
1 905 . 19 1 1 A 76 76 GLU H H 76 8.537 8.465 0.072 1
1 906 . 19 1 1 A 76 76 GLU HA H 76 3.751 3.800 -0.049 1
1 911 . 19 1 1 A 76 76 GLU C C 76 178.799 178.819 -0.020 1
1 912 . 19 1 1 A 76 76 GLU CA C 76 59.871 60.085 -0.214 1
1 913 . 19 1 1 A 76 76 GLU CB C 76 30.145 29.211 0.934 1
1 915 . 19 1 1 A 76 76 GLU N N 76 120.074 119.079 0.995 1
1 916 . 19 1 1 A 77 77 ARG H H 77 8.032 7.747 0.285 1
1 917 . 19 1 1 A 77 77 ARG HA H 77 3.934 4.009 -0.075 1
1 924 . 19 1 1 A 77 77 ARG C C 77 179.220 177.884 1.336 1
1 925 . 19 1 1 A 77 77 ARG CA C 77 59.974 59.043 0.931 1
1 926 . 19 1 1 A 77 77 ARG CB C 77 30.413 29.956 0.457 1
1 929 . 19 1 1 A 77 77 ARG N N 77 120.100 120.208 -0.108 1
1 930 . 19 1 1 A 78 78 TYR H H 78 8.084 7.770 0.314 1
1 931 . 19 1 1 A 78 78 TYR HA H 78 4.260 4.199 0.061 1
1 938 . 19 1 1 A 78 78 TYR C C 78 178.620 177.302 1.318 1
1 939 . 19 1 1 A 78 78 TYR CA C 78 61.507 61.274 0.233 1
1 940 . 19 1 1 A 78 78 TYR CB C 78 38.440 38.593 -0.153 1
1 945 . 19 1 1 A 78 78 TYR N N 78 120.327 120.635 -0.308 1
1 946 . 19 1 1 A 79 79 VAL H H 79 9.136 8.100 1.036 1
1 947 . 19 1 1 A 79 79 VAL HA H 79 3.161 3.469 -0.308 1
1 955 . 19 1 1 A 79 79 VAL C C 79 178.067 178.231 -0.164 1
1 956 . 19 1 1 A 79 79 VAL CA C 79 67.306 65.506 1.800 1
1 957 . 19 1 1 A 79 79 VAL CB C 79 31.505 31.420 0.085 1
1 960 . 19 1 1 A 79 79 VAL N N 79 120.576 118.779 1.797 1
1 961 . 19 1 1 A 80 80 THR H H 80 8.297 7.928 0.369 1
1 962 . 19 1 1 A 80 80 THR HA H 80 3.721 3.936 -0.215 1
1 967 . 19 1 1 A 80 80 THR C C 80 176.623 176.564 0.059 1
1 968 . 19 1 1 A 80 80 THR CA C 80 66.823 64.470 2.353 1
1 969 . 19 1 1 A 80 80 THR CB C 80 68.508 68.858 -0.350 1
1 971 . 19 1 1 A 80 80 THR N N 80 115.107 117.224 -2.117 1
1 972 . 19 1 1 A 81 81 SER H H 81 7.537 7.995 -0.458 1
1 973 . 19 1 1 A 81 81 SER HA H 81 4.165 4.095 0.070 1
1 976 . 19 1 1 A 81 81 SER C C 81 176.196 175.926 0.270 1
1 977 . 19 1 1 A 81 81 SER CA C 81 61.371 61.582 -0.211 1
1 978 . 19 1 1 A 81 81 SER CB C 81 62.826 63.158 -0.332 1
1 979 . 19 1 1 A 81 81 SER N N 81 116.178 116.844 -0.666 1
1 980 . 19 1 1 A 82 82 CYS H H 82 7.523 7.473 0.050 1
1 981 . 19 1 1 A 82 82 CYS HA H 82 4.084 4.316 -0.232 1
1 984 . 19 1 1 A 82 82 CYS C C 82 176.363 175.646 0.717 1
1 985 . 19 1 1 A 82 82 CYS CA C 82 62.173 61.066 1.107 1
1 986 . 19 1 1 A 82 82 CYS CB C 82 27.872 26.695 1.177 1
1 987 . 19 1 1 A 82 82 CYS N N 82 118.207 119.195 -0.988 1
1 988 . 19 1 1 A 83 83 LEU H H 83 7.652 7.401 0.251 1
1 989 . 19 1 1 A 83 83 LEU HA H 83 4.216 4.264 -0.048 1
1 999 . 19 1 1 A 83 83 LEU C C 83 177.349 176.999 0.350 1
1 1000 . 19 1 1 A 83 83 LEU CA C 83 55.521 56.196 -0.675 1
1 1001 . 19 1 1 A 83 83 LEU CB C 83 42.550 42.976 -0.426 1
1 1005 . 19 1 1 A 83 83 LEU N N 83 118.141 117.786 0.355 1
1 1006 . 19 1 1 A 84 84 ARG H H 84 7.754 8.272 -0.518 1
1 1007 . 19 1 1 A 84 84 ARG HA H 84 4.153 3.842 0.311 1
1 1014 . 19 1 1 A 84 84 ARG C C 84 176.300 176.949 -0.649 1
1 1015 . 19 1 1 A 84 84 ARG CA C 84 56.829 56.504 0.325 1
1 1016 . 19 1 1 A 84 84 ARG CB C 84 29.926 30.753 -0.827 1
1 1019 . 19 1 1 A 84 84 ARG N N 84 118.881 119.409 -0.528 1
1 1020 . 19 1 1 A 85 85 LYS H H 85 7.904 8.863 -0.959 1
1 1021 . 19 1 1 A 85 85 LYS HA H 85 4.178 4.032 0.146 1
1 1030 . 19 1 1 A 85 85 LYS C C 85 176.549 175.743 0.806 1
1 1031 . 19 1 1 A 85 85 LYS CA C 85 56.514 57.662 -1.148 1
1 1032 . 19 1 1 A 85 85 LYS CB C 85 32.931 32.178 0.753 1
1 1036 . 19 1 1 A 85 85 LYS N N 85 120.528 124.491 -3.963 1
1 1037 . 19 1 1 A 86 86 LYS H H 86 8.139 7.768 0.371 1
1 1038 . 19 1 1 A 86 86 LYS HA H 86 4.194 4.238 -0.044 1
1 1047 . 19 1 1 A 86 86 LYS C C 86 176.395 175.613 0.782 1
1 1048 . 19 1 1 A 86 86 LYS CA C 86 56.244 57.028 -0.784 1
1 1049 . 19 1 1 A 86 86 LYS CB C 86 32.971 33.637 -0.666 1
1 1053 . 19 1 1 A 86 86 LYS N N 86 121.979 121.487 0.492 1
1 1054 . 19 1 1 A 87 87 ARG H H 87 8.242 8.714 -0.472 1
1 1055 . 19 1 1 A 87 87 ARG HA H 87 4.223 4.922 -0.699 1
1 1062 . 19 1 1 A 87 87 ARG C C 87 175.989 174.715 1.274 1
1 1063 . 19 1 1 A 87 87 ARG CA C 87 55.953 54.729 1.224 1
1 1064 . 19 1 1 A 87 87 ARG CB C 87 31.019 32.054 -1.035 1
1 1067 . 19 1 1 A 87 87 ARG N N 87 122.606 124.017 -1.411 1
1 1068 . 19 1 1 A 88 88 LYS H H 88 8.318 8.550 -0.232 1
1 1069 . 19 1 1 A 88 88 LYS HA H 88 4.506 4.883 -0.377 1
1 1074 . 19 1 1 A 88 88 LYS C C 88 174.589 173.482 1.107 1
1 1075 . 19 1 1 A 88 88 LYS CA C 88 54.349 53.479 0.870 1
1 1076 . 19 1 1 A 88 88 LYS CB C 88 32.576 33.136 -0.560 1
1 1077 . 19 1 1 A 88 88 LYS N N 88 124.253 125.013 -0.760 1
1 1078 . 19 1 1 A 89 89 PRO HA H 89 4.327 4.710 -0.383 1
1 1085 . 19 1 1 A 89 89 PRO C C 89 176.044 175.724 0.320 1
1 1086 . 19 1 1 A 89 89 PRO CA C 89 63.489 63.047 0.442 1
1 1087 . 19 1 1 A 89 89 PRO CB C 89 31.921 33.333 -1.412 1
1 1 . 20 1 1 A 4 4 GLY C C 4 174.318 171.347 2.971 1
1 2 . 20 1 1 A 4 4 GLY CA C 4 45.318 45.063 0.255 1
1 3 . 20 1 1 A 5 5 SER H H 5 8.211 8.441 -0.230 1
1 4 . 20 1 1 A 5 5 SER HA H 5 4.460 5.366 -0.906 1
1 7 . 20 1 1 A 5 5 SER C C 5 174.891 172.652 2.239 1
1 8 . 20 1 1 A 5 5 SER CA C 5 58.299 56.902 1.397 1
1 9 . 20 1 1 A 5 5 SER CB C 5 64.052 66.817 -2.765 1
1 10 . 20 1 1 A 5 5 SER N N 5 115.510 113.615 1.895 1
1 11 . 20 1 1 A 6 6 SER H H 6 8.444 8.368 0.076 1
1 12 . 20 1 1 A 6 6 SER HA H 6 4.428 5.259 -0.831 1
1 15 . 20 1 1 A 6 6 SER C C 6 175.096 173.344 1.752 1
1 16 . 20 1 1 A 6 6 SER CA C 6 58.706 57.324 1.382 1
1 17 . 20 1 1 A 6 6 SER CB C 6 63.920 67.124 -3.204 1
1 18 . 20 1 1 A 6 6 SER N N 6 117.613 115.077 2.536 1
1 19 . 20 1 1 A 7 7 GLY H H 7 8.359 8.353 0.006 1
1 20 . 20 1 1 A 7 7 GLY HA2 H 7 3.916 4.117 -0.201 1
1 21 . 20 1 1 A 7 7 GLY HA3 H 7 3.916 4.117 -0.201 1
1 22 . 20 1 1 A 7 7 GLY C C 7 174.309 171.606 2.703 1
1 23 . 20 1 1 A 7 7 GLY CA C 7 45.399 46.011 -0.612 1
1 24 . 20 1 1 A 7 7 GLY N N 7 110.468 109.118 1.350 1
1 25 . 20 1 1 A 8 8 GLU H H 8 8.235 8.529 -0.294 1
1 26 . 20 1 1 A 8 8 GLU HA H 8 4.248 5.047 -0.799 1
1 31 . 20 1 1 A 8 8 GLU C C 8 176.732 175.415 1.317 1
1 32 . 20 1 1 A 8 8 GLU CA C 8 56.630 54.963 1.667 1
1 33 . 20 1 1 A 8 8 GLU CB C 8 30.243 32.208 -1.965 1
1 35 . 20 1 1 A 8 8 GLU N N 8 120.254 120.617 -0.363 1
1 36 . 20 1 1 A 9 9 SER H H 9 8.327 8.480 -0.153 1
1 37 . 20 1 1 A 9 9 SER HA H 9 4.385 4.740 -0.355 1
1 40 . 20 1 1 A 9 9 SER C C 9 174.682 174.269 0.413 1
1 41 . 20 1 1 A 9 9 SER CA C 9 58.470 57.193 1.277 1
1 42 . 20 1 1 A 9 9 SER CB C 9 63.742 65.710 -1.968 1
1 43 . 20 1 1 A 9 9 SER N N 9 116.213 117.041 -0.828 1
1 44 . 20 1 1 A 10 10 GLU H H 10 8.428 8.897 -0.469 1
1 45 . 20 1 1 A 10 10 GLU HA H 10 4.232 3.979 0.253 1
1 50 . 20 1 1 A 10 10 GLU C C 10 176.769 178.055 -1.286 1
1 51 . 20 1 1 A 10 10 GLU CA C 10 56.887 59.472 -2.585 1
1 52 . 20 1 1 A 10 10 GLU CB C 10 30.267 29.402 0.865 1
1 54 . 20 1 1 A 10 10 GLU N N 10 122.618 121.766 0.852 1
1 55 . 20 1 1 A 11 11 GLU H H 11 8.315 8.088 0.227 1
1 56 . 20 1 1 A 11 11 GLU HA H 11 4.179 4.125 0.054 1
1 61 . 20 1 1 A 11 11 GLU C C 11 177.182 177.889 -0.707 1
1 62 . 20 1 1 A 11 11 GLU CA C 11 56.896 58.988 -2.092 1
1 63 . 20 1 1 A 11 11 GLU CB C 11 30.317 29.130 1.187 1
1 65 . 20 1 1 A 11 11 GLU N N 11 120.909 118.390 2.519 1
1 66 . 20 1 1 A 12 12 GLU H H 12 8.333 7.730 0.603 1
1 67 . 20 1 1 A 12 12 GLU HA H 12 4.100 4.389 -0.289 1
1 72 . 20 1 1 A 12 12 GLU C C 12 176.860 176.304 0.556 1
1 73 . 20 1 1 A 12 12 GLU CA C 12 57.495 56.777 0.718 1
1 74 . 20 1 1 A 12 12 GLU CB C 12 30.221 30.165 0.056 1
1 76 . 20 1 1 A 12 12 GLU N N 12 121.578 117.800 3.778 1
1 77 . 20 1 1 A 13 13 ASP H H 13 8.332 7.677 0.655 1
1 78 . 20 1 1 A 13 13 ASP HA H 13 4.468 4.811 -0.343 1
1 81 . 20 1 1 A 13 13 ASP C C 13 176.833 174.079 2.754 1
1 82 . 20 1 1 A 13 13 ASP CA C 13 54.921 52.799 2.122 1
1 83 . 20 1 1 A 13 13 ASP CB C 13 40.912 40.825 0.087 1
1 84 . 20 1 1 A 13 13 ASP N N 13 120.147 121.042 -0.895 1
1 85 . 20 1 1 A 14 14 LYS H H 14 8.014 7.853 0.161 1
1 86 . 20 1 1 A 14 14 LYS HA H 14 4.204 4.827 -0.623 1
1 95 . 20 1 1 A 14 14 LYS C C 14 176.568 175.162 1.406 1
1 96 . 20 1 1 A 14 14 LYS CA C 14 56.558 54.443 2.115 1
1 97 . 20 1 1 A 14 14 LYS CB C 14 32.598 36.792 -4.194 1
1 101 . 20 1 1 A 14 14 LYS N N 14 120.485 122.778 -2.293 1
1 102 . 20 1 1 A 15 15 CYS H H 15 8.013 8.554 -0.541 1
1 103 . 20 1 1 A 15 15 CYS HA H 15 4.304 5.278 -0.974 1
1 106 . 20 1 1 A 15 15 CYS C C 15 173.801 173.307 0.494 1
1 107 . 20 1 1 A 15 15 CYS CA C 15 58.337 57.734 0.603 1
1 108 . 20 1 1 A 15 15 CYS CB C 15 28.061 30.849 -2.788 1
1 109 . 20 1 1 A 15 15 CYS N N 15 118.099 118.887 -0.788 1
1 110 . 20 1 1 A 16 16 LYS H H 16 8.287 8.484 -0.197 1
1 111 . 20 1 1 A 16 16 LYS HA H 16 4.491 4.862 -0.371 1
1 120 . 20 1 1 A 16 16 LYS C C 16 175.117 174.410 0.707 1
1 121 . 20 1 1 A 16 16 LYS CA C 16 54.512 53.171 1.341 1
1 122 . 20 1 1 A 16 16 LYS CB C 16 32.697 35.435 -2.738 1
1 124 . 20 1 1 A 16 16 LYS N N 16 125.369 119.571 5.798 1
1 125 . 20 1 1 A 17 17 PRO HA H 17 4.247 4.682 -0.435 1
1 132 . 20 1 1 A 17 17 PRO C C 17 176.956 175.499 1.457 1
1 133 . 20 1 1 A 17 17 PRO CA C 17 63.088 62.440 0.648 1
1 134 . 20 1 1 A 17 17 PRO CB C 17 32.244 32.835 -0.591 1
1 137 . 20 1 1 A 18 18 MET H H 18 8.516 8.435 0.081 1
1 138 . 20 1 1 A 18 18 MET HA H 18 4.488 4.915 -0.427 1
1 146 . 20 1 1 A 18 18 MET C C 18 176.759 175.359 1.400 1
1 147 . 20 1 1 A 18 18 MET CA C 18 56.169 54.747 1.422 1
1 148 . 20 1 1 A 18 18 MET CB C 18 35.531 35.604 -0.073 1
1 151 . 20 1 1 A 18 18 MET N N 18 121.801 119.627 2.174 1
1 152 . 20 1 1 A 19 19 SER H H 19 9.100 8.831 0.269 1
1 153 . 20 1 1 A 19 19 SER HA H 19 4.459 4.729 -0.270 1
1 156 . 20 1 1 A 19 19 SER C C 19 175.018 174.874 0.144 1
1 157 . 20 1 1 A 19 19 SER CA C 19 56.894 57.686 -0.792 1
1 158 . 20 1 1 A 19 19 SER CB C 19 65.854 64.467 1.387 1
1 159 . 20 1 1 A 19 19 SER N N 19 119.212 119.699 -0.487 1
1 160 . 20 1 1 A 20 20 TYR H H 20 8.959 9.243 -0.284 1
1 161 . 20 1 1 A 20 20 TYR HA H 20 4.029 4.133 -0.104 1
1 168 . 20 1 1 A 20 20 TYR C C 20 177.960 177.397 0.563 1
1 169 . 20 1 1 A 20 20 TYR CA C 20 62.463 62.553 -0.090 1
1 170 . 20 1 1 A 20 20 TYR CB C 20 38.009 38.682 -0.673 1
1 175 . 20 1 1 A 20 20 TYR N N 20 121.218 125.921 -4.703 1
1 176 . 20 1 1 A 21 21 GLU H H 21 8.825 8.275 0.550 1
1 177 . 20 1 1 A 21 21 GLU HA H 21 3.811 3.870 -0.059 1
1 182 . 20 1 1 A 21 21 GLU C C 21 179.481 179.236 0.245 1
1 183 . 20 1 1 A 21 21 GLU CA C 21 59.951 60.054 -0.103 1
1 184 . 20 1 1 A 21 21 GLU CB C 21 28.823 29.192 -0.369 1
1 186 . 20 1 1 A 21 21 GLU N N 21 118.696 117.954 0.742 1
1 187 . 20 1 1 A 22 22 GLU H H 22 7.771 8.051 -0.280 1
1 188 . 20 1 1 A 22 22 GLU HA H 22 3.899 4.054 -0.155 1
1 193 . 20 1 1 A 22 22 GLU C C 22 179.680 179.228 0.452 1
1 194 . 20 1 1 A 22 22 GLU CA C 22 59.498 59.090 0.408 1
1 195 . 20 1 1 A 22 22 GLU CB C 22 30.385 29.429 0.956 1
1 197 . 20 1 1 A 22 22 GLU N N 22 120.141 120.847 -0.706 1
1 198 . 20 1 1 A 23 23 LYS H H 23 8.101 7.709 0.392 1
1 199 . 20 1 1 A 23 23 LYS HA H 23 3.662 3.587 0.075 1
1 208 . 20 1 1 A 23 23 LYS C C 23 178.250 178.685 -0.435 1
1 209 . 20 1 1 A 23 23 LYS CA C 23 60.345 59.595 0.750 1
1 210 . 20 1 1 A 23 23 LYS CB C 23 32.611 31.994 0.617 1
1 214 . 20 1 1 A 23 23 LYS N N 23 120.594 119.040 1.554 1
1 215 . 20 1 1 A 24 24 ARG H H 24 8.030 7.938 0.092 1
1 216 . 20 1 1 A 24 24 ARG HA H 24 3.721 3.896 -0.175 1
1 223 . 20 1 1 A 24 24 ARG C C 24 178.992 178.412 0.580 1
1 224 . 20 1 1 A 24 24 ARG CA C 24 59.055 59.245 -0.190 1
1 225 . 20 1 1 A 24 24 ARG CB C 24 29.623 29.856 -0.233 1
1 228 . 20 1 1 A 24 24 ARG N N 24 120.100 118.722 1.378 1
1 229 . 20 1 1 A 25 25 GLN H H 25 7.940 7.875 0.065 1
1 230 . 20 1 1 A 25 25 GLN HA H 25 3.706 3.998 -0.292 1
1 237 . 20 1 1 A 25 25 GLN C C 25 177.078 177.861 -0.783 1
1 238 . 20 1 1 A 25 25 GLN CA C 25 58.104 58.628 -0.524 1
1 239 . 20 1 1 A 25 25 GLN CB C 25 28.294 28.280 0.014 1
1 241 . 20 1 1 A 25 25 GLN N N 25 118.586 119.309 -0.723 1
1 243 . 20 1 1 A 26 26 LEU H H 26 7.843 8.040 -0.197 1
1 244 . 20 1 1 A 26 26 LEU HA H 26 4.182 3.992 0.190 1
1 254 . 20 1 1 A 26 26 LEU C C 26 178.116 178.778 -0.662 1
1 255 . 20 1 1 A 26 26 LEU CA C 26 57.867 57.420 0.447 1
1 256 . 20 1 1 A 26 26 LEU CB C 26 41.167 41.284 -0.117 1
1 259 . 20 1 1 A 26 26 LEU N N 26 119.570 121.143 -1.573 1
1 260 . 20 1 1 A 27 27 SER H H 27 7.710 7.828 -0.118 1
1 261 . 20 1 1 A 27 27 SER HA H 27 3.869 4.336 -0.467 1
1 264 . 20 1 1 A 27 27 SER C C 27 176.845 177.524 -0.679 1
1 265 . 20 1 1 A 27 27 SER CA C 27 61.478 61.295 0.183 1
1 266 . 20 1 1 A 27 27 SER CB C 27 62.828 62.985 -0.157 1
1 267 . 20 1 1 A 27 27 SER N N 27 112.126 114.687 -2.561 1
1 268 . 20 1 1 A 28 28 LEU H H 28 7.613 8.032 -0.419 1
1 269 . 20 1 1 A 28 28 LEU HA H 28 3.954 4.006 -0.052 1
1 279 . 20 1 1 A 28 28 LEU C C 28 180.044 179.030 1.014 1
1 280 . 20 1 1 A 28 28 LEU CA C 28 57.862 58.000 -0.138 1
1 281 . 20 1 1 A 28 28 LEU CB C 28 41.703 41.538 0.165 1
1 285 . 20 1 1 A 28 28 LEU N N 28 120.774 121.915 -1.141 1
1 286 . 20 1 1 A 29 29 ASP H H 29 8.476 8.358 0.118 1
1 287 . 20 1 1 A 29 29 ASP HA H 29 4.236 4.537 -0.301 1
1 290 . 20 1 1 A 29 29 ASP C C 29 179.532 178.874 0.658 1
1 291 . 20 1 1 A 29 29 ASP CA C 29 57.618 57.546 0.072 1
1 292 . 20 1 1 A 29 29 ASP CB C 29 40.447 40.779 -0.332 1
1 293 . 20 1 1 A 29 29 ASP N N 29 120.971 119.378 1.593 1
1 294 . 20 1 1 A 30 30 ILE H H 30 8.558 8.048 0.510 1
1 295 . 20 1 1 A 30 30 ILE HA H 30 3.564 3.698 -0.134 1
1 305 . 20 1 1 A 30 30 ILE C C 30 178.098 178.253 -0.155 1
1 306 . 20 1 1 A 30 30 ILE CA C 30 65.616 64.987 0.629 1
1 307 . 20 1 1 A 30 30 ILE CB C 30 37.697 37.866 -0.169 1
1 311 . 20 1 1 A 30 30 ILE N N 30 120.240 121.227 -0.987 1
1 312 . 20 1 1 A 31 31 ASN H H 31 7.350 8.206 -0.856 1
1 313 . 20 1 1 A 31 31 ASN HA H 31 4.560 4.544 0.016 1
1 318 . 20 1 1 A 31 31 ASN C C 31 175.952 177.030 -1.078 1
1 319 . 20 1 1 A 31 31 ASN CA C 31 54.997 56.350 -1.353 1
1 320 . 20 1 1 A 31 31 ASN CB C 31 38.769 38.267 0.502 1
1 321 . 20 1 1 A 31 31 ASN N N 31 115.285 117.307 -2.022 1
1 323 . 20 1 1 A 32 32 LYS H H 32 7.509 7.733 -0.224 1
1 324 . 20 1 1 A 32 32 LYS HA H 32 4.286 4.343 -0.057 1
1 333 . 20 1 1 A 32 32 LYS C C 32 177.232 176.704 0.528 1
1 334 . 20 1 1 A 32 32 LYS CA C 32 56.330 57.087 -0.757 1
1 335 . 20 1 1 A 32 32 LYS CB C 32 33.570 32.665 0.905 1
1 339 . 20 1 1 A 32 32 LYS N N 32 117.496 117.396 0.100 1
1 340 . 20 1 1 A 33 33 LEU H H 33 7.455 7.353 0.102 1
1 341 . 20 1 1 A 33 33 LEU HA H 33 4.265 4.434 -0.169 1
1 351 . 20 1 1 A 33 33 LEU CA C 33 53.436 52.817 0.619 1
1 352 . 20 1 1 A 33 33 LEU CB C 33 41.464 41.793 -0.329 1
1 356 . 20 1 1 A 33 33 LEU N N 33 120.501 121.162 -0.661 1
1 357 . 20 1 1 A 34 34 PRO HA H 34 4.561 4.573 -0.012 1
1 364 . 20 1 1 A 34 34 PRO C C 34 178.359 178.128 0.231 1
1 365 . 20 1 1 A 34 34 PRO CA C 34 62.251 62.458 -0.207 1
1 366 . 20 1 1 A 34 34 PRO CB C 34 32.489 32.606 -0.117 1
1 369 . 20 1 1 A 35 35 GLY H H 35 8.865 8.749 0.116 1
1 370 . 20 1 1 A 35 35 GLY HA2 H 35 3.709 3.815 -0.106 1
1 371 . 20 1 1 A 35 35 GLY HA3 H 35 4.005 3.816 0.189 1
1 372 . 20 1 1 A 35 35 GLY C C 35 176.845 175.531 1.314 1
1 373 . 20 1 1 A 35 35 GLY CA C 35 48.165 47.285 0.880 1
1 374 . 20 1 1 A 35 35 GLY N N 35 109.986 110.583 -0.597 1
1 375 . 20 1 1 A 36 36 GLU H H 36 9.360 8.334 1.026 1
1 376 . 20 1 1 A 36 36 GLU HA H 36 4.233 4.011 0.222 1
1 381 . 20 1 1 A 36 36 GLU C C 36 178.326 177.950 0.376 1
1 382 . 20 1 1 A 36 36 GLU CA C 36 58.964 59.445 -0.481 1
1 383 . 20 1 1 A 36 36 GLU CB C 36 28.689 29.318 -0.629 1
1 385 . 20 1 1 A 36 36 GLU N N 36 119.485 121.420 -1.935 1
1 386 . 20 1 1 A 37 37 LYS H H 37 7.734 7.787 -0.053 1
1 387 . 20 1 1 A 37 37 LYS HA H 37 4.516 4.317 0.199 1
1 396 . 20 1 1 A 37 37 LYS C C 37 178.698 178.454 0.244 1
1 397 . 20 1 1 A 37 37 LYS CA C 37 55.977 57.139 -1.162 1
1 398 . 20 1 1 A 37 37 LYS CB C 37 32.981 32.921 0.060 1
1 402 . 20 1 1 A 37 37 LYS N N 37 116.668 118.819 -2.151 1
1 403 . 20 1 1 A 38 38 LEU H H 38 7.882 8.271 -0.389 1
1 404 . 20 1 1 A 38 38 LEU HA H 38 4.103 3.949 0.154 1
1 414 . 20 1 1 A 38 38 LEU C C 38 179.042 178.391 0.651 1
1 415 . 20 1 1 A 38 38 LEU CA C 38 57.832 57.945 -0.113 1
1 416 . 20 1 1 A 38 38 LEU CB C 38 41.753 41.910 -0.157 1
1 420 . 20 1 1 A 38 38 LEU N N 38 121.898 121.973 -0.075 1
1 421 . 20 1 1 A 39 39 GLY H H 39 8.212 7.658 0.554 1
1 422 . 20 1 1 A 39 39 GLY HA2 H 39 3.720 3.704 0.016 1
1 423 . 20 1 1 A 39 39 GLY HA3 H 39 3.853 3.725 0.128 1
1 424 . 20 1 1 A 39 39 GLY C C 39 176.507 175.306 1.201 1
1 425 . 20 1 1 A 39 39 GLY CA C 39 47.218 46.855 0.363 1
1 426 . 20 1 1 A 39 39 GLY N N 39 106.042 106.494 -0.452 1
1 427 . 20 1 1 A 40 40 ARG H H 40 7.416 7.818 -0.402 1
1 428 . 20 1 1 A 40 40 ARG HA H 40 4.031 3.694 0.337 1
1 435 . 20 1 1 A 40 40 ARG C C 40 177.974 178.482 -0.508 1
1 436 . 20 1 1 A 40 40 ARG CA C 40 57.460 58.148 -0.688 1
1 437 . 20 1 1 A 40 40 ARG CB C 40 29.051 29.954 -0.903 1
1 440 . 20 1 1 A 40 40 ARG N N 40 120.046 121.679 -1.633 1
1 441 . 20 1 1 A 41 41 VAL H H 41 7.417 8.064 -0.647 1
1 442 . 20 1 1 A 41 41 VAL HA H 41 3.285 3.496 -0.211 1
1 450 . 20 1 1 A 41 41 VAL C C 41 177.090 177.812 -0.722 1
1 451 . 20 1 1 A 41 41 VAL CA C 41 66.979 66.389 0.590 1
1 452 . 20 1 1 A 41 41 VAL CB C 41 31.059 31.607 -0.548 1
1 455 . 20 1 1 A 41 41 VAL N N 41 119.285 119.405 -0.120 1
1 456 . 20 1 1 A 42 42 VAL H H 42 7.493 7.946 -0.453 1
1 457 . 20 1 1 A 42 42 VAL HA H 42 3.395 3.638 -0.243 1
1 465 . 20 1 1 A 42 42 VAL C C 42 177.200 178.616 -1.416 1
1 466 . 20 1 1 A 42 42 VAL CA C 42 66.764 66.430 0.334 1
1 467 . 20 1 1 A 42 42 VAL CB C 42 31.296 31.396 -0.100 1
1 470 . 20 1 1 A 42 42 VAL N N 42 116.606 119.642 -3.036 1
1 471 . 20 1 1 A 43 43 HIS H H 43 7.602 7.331 0.271 1
1 472 . 20 1 1 A 43 43 HIS HA H 43 4.264 4.279 -0.015 1
1 477 . 20 1 1 A 43 43 HIS C C 43 178.854 177.822 1.032 1
1 478 . 20 1 1 A 43 43 HIS CA C 43 59.824 59.593 0.231 1
1 479 . 20 1 1 A 43 43 HIS CB C 43 30.605 29.764 0.841 1
1 482 . 20 1 1 A 43 43 HIS N N 43 118.867 117.319 1.548 1
1 483 . 20 1 1 A 44 44 ILE H H 44 8.344 8.051 0.293 1
1 484 . 20 1 1 A 44 44 ILE HA H 44 3.375 3.543 -0.168 1
1 494 . 20 1 1 A 44 44 ILE C C 44 178.054 178.262 -0.208 1
1 495 . 20 1 1 A 44 44 ILE CA C 44 65.922 64.468 1.454 1
1 496 . 20 1 1 A 44 44 ILE CB C 44 37.950 37.463 0.487 1
1 500 . 20 1 1 A 44 44 ILE N N 44 121.530 120.181 1.349 1
1 501 . 20 1 1 A 45 45 ILE H H 45 7.604 8.189 -0.585 1
1 502 . 20 1 1 A 45 45 ILE HA H 45 3.311 3.535 -0.224 1
1 512 . 20 1 1 A 45 45 ILE C C 45 177.378 178.016 -0.638 1
1 513 . 20 1 1 A 45 45 ILE CA C 45 66.577 64.934 1.643 1
1 514 . 20 1 1 A 45 45 ILE CB C 45 38.168 37.453 0.715 1
1 518 . 20 1 1 A 45 45 ILE N N 45 117.572 120.920 -3.348 1
1 519 . 20 1 1 A 46 46 GLN H H 46 8.626 8.059 0.567 1
1 520 . 20 1 1 A 46 46 GLN HA H 46 3.719 4.052 -0.333 1
1 527 . 20 1 1 A 46 46 GLN C C 46 177.483 178.313 -0.830 1
1 528 . 20 1 1 A 46 46 GLN CA C 46 59.443 58.781 0.662 1
1 529 . 20 1 1 A 46 46 GLN CB C 46 28.832 28.256 0.576 1
1 531 . 20 1 1 A 46 46 GLN N N 46 115.916 119.269 -3.353 1
1 533 . 20 1 1 A 47 47 SER H H 47 7.862 7.729 0.133 1
1 534 . 20 1 1 A 47 47 SER HA H 47 4.064 4.196 -0.132 1
1 537 . 20 1 1 A 47 47 SER C C 47 175.615 175.161 0.454 1
1 538 . 20 1 1 A 47 47 SER CA C 47 60.602 60.937 -0.335 1
1 539 . 20 1 1 A 47 47 SER CB C 47 63.313 63.056 0.257 1
1 540 . 20 1 1 A 47 47 SER N N 47 110.902 115.540 -4.638 1
1 541 . 20 1 1 A 48 48 ARG H H 48 7.362 8.075 -0.713 1
1 542 . 20 1 1 A 48 48 ARG HA H 48 4.306 4.434 -0.128 1
1 549 . 20 1 1 A 48 48 ARG C C 48 176.365 176.273 0.092 1
1 550 . 20 1 1 A 48 48 ARG CA C 48 55.992 56.753 -0.761 1
1 551 . 20 1 1 A 48 48 ARG CB C 48 33.000 31.393 1.607 1
1 554 . 20 1 1 A 48 48 ARG N N 48 118.403 117.868 0.535 1
1 555 . 20 1 1 A 49 49 GLU H H 49 7.714 7.982 -0.268 1
1 556 . 20 1 1 A 49 49 GLU HA H 49 4.806 4.820 -0.014 1
1 561 . 20 1 1 A 49 49 GLU C C 49 174.213 174.644 -0.431 1
1 562 . 20 1 1 A 49 49 GLU CA C 49 52.903 54.134 -1.231 1
1 563 . 20 1 1 A 49 49 GLU CB C 49 28.835 30.295 -1.460 1
1 565 . 20 1 1 A 49 49 GLU N N 49 118.387 118.802 -0.415 1
1 566 . 20 1 1 A 50 50 PRO HA H 50 4.273 4.296 -0.023 1
1 573 . 20 1 1 A 50 50 PRO C C 50 178.412 178.309 0.103 1
1 574 . 20 1 1 A 50 50 PRO CA C 50 64.641 64.987 -0.346 1
1 575 . 20 1 1 A 50 50 PRO CB C 50 32.045 32.085 -0.040 1
1 578 . 20 1 1 A 51 51 SER H H 51 8.290 8.178 0.112 1
1 579 . 20 1 1 A 51 51 SER HA H 51 4.271 4.319 -0.048 1
1 582 . 20 1 1 A 51 51 SER C C 51 175.130 175.288 -0.158 1
1 583 . 20 1 1 A 51 51 SER CA C 51 59.824 60.848 -1.024 1
1 584 . 20 1 1 A 51 51 SER CB C 51 63.071 62.566 0.505 1
1 585 . 20 1 1 A 51 51 SER N N 51 112.214 112.601 -0.387 1
1 586 . 20 1 1 A 52 52 LEU H H 52 7.882 7.711 0.171 1
1 587 . 20 1 1 A 52 52 LEU HA H 52 4.479 4.422 0.057 1
1 597 . 20 1 1 A 52 52 LEU C C 52 177.843 177.883 -0.040 1
1 598 . 20 1 1 A 52 52 LEU CA C 52 54.734 54.797 -0.063 1
1 599 . 20 1 1 A 52 52 LEU CB C 52 42.500 42.236 0.264 1
1 603 . 20 1 1 A 52 52 LEU N N 52 121.800 119.142 2.658 1
1 604 . 20 1 1 A 53 53 LYS H H 53 7.638 7.697 -0.059 1
1 605 . 20 1 1 A 53 53 LYS HA H 53 4.022 3.962 0.060 1
1 614 . 20 1 1 A 53 53 LYS C C 53 176.270 178.420 -2.150 1
1 615 . 20 1 1 A 53 53 LYS CA C 53 58.288 58.872 -0.584 1
1 616 . 20 1 1 A 53 53 LYS CB C 53 32.924 31.757 1.167 1
1 620 . 20 1 1 A 53 53 LYS N N 53 121.559 120.783 0.776 1
1 621 . 20 1 1 A 54 54 ASN H H 54 8.266 7.789 0.477 1
1 622 . 20 1 1 A 54 54 ASN HA H 54 4.732 4.716 0.016 1
1 627 . 20 1 1 A 54 54 ASN C C 54 175.097 175.534 -0.437 1
1 628 . 20 1 1 A 54 54 ASN CA C 54 53.020 54.123 -1.103 1
1 629 . 20 1 1 A 54 54 ASN CB C 54 38.863 39.302 -0.439 1
1 630 . 20 1 1 A 54 54 ASN N N 54 116.053 115.639 0.414 1
1 632 . 20 1 1 A 55 55 SER H H 55 7.692 7.320 0.372 1
1 633 . 20 1 1 A 55 55 SER HA H 55 4.288 4.523 -0.235 1
1 636 . 20 1 1 A 55 55 SER C C 55 173.418 173.914 -0.496 1
1 637 . 20 1 1 A 55 55 SER CA C 55 58.900 58.325 0.575 1
1 638 . 20 1 1 A 55 55 SER CB C 55 63.914 64.441 -0.527 1
1 639 . 20 1 1 A 55 55 SER N N 55 115.901 115.927 -0.026 1
1 640 . 20 1 1 A 56 56 ASN H H 56 8.574 8.492 0.082 1
1 641 . 20 1 1 A 56 56 ASN HA H 56 4.857 4.905 -0.048 1
1 646 . 20 1 1 A 56 56 ASN C C 56 174.843 175.764 -0.921 1
1 647 . 20 1 1 A 56 56 ASN CA C 56 50.974 51.305 -0.331 1
1 648 . 20 1 1 A 56 56 ASN CB C 56 38.744 39.160 -0.416 1
1 649 . 20 1 1 A 56 56 ASN N N 56 122.245 122.425 -0.180 1
1 651 . 20 1 1 A 57 57 PRO HA H 57 4.079 4.385 -0.306 1
1 658 . 20 1 1 A 57 57 PRO C C 57 176.856 177.735 -0.879 1
1 659 . 20 1 1 A 57 57 PRO CA C 57 64.733 65.088 -0.355 1
1 660 . 20 1 1 A 57 57 PRO CB C 57 31.968 31.957 0.011 1
1 663 . 20 1 1 A 58 58 ASP H H 58 8.024 8.421 -0.397 1
1 664 . 20 1 1 A 58 58 ASP HA H 58 4.445 4.510 -0.065 1
1 667 . 20 1 1 A 58 58 ASP C C 58 176.369 177.096 -0.727 1
1 668 . 20 1 1 A 58 58 ASP CA C 58 55.247 55.499 -0.252 1
1 669 . 20 1 1 A 58 58 ASP CB C 58 40.828 40.380 0.448 1
1 670 . 20 1 1 A 58 58 ASP N N 58 114.883 115.739 -0.856 1
1 671 . 20 1 1 A 59 59 GLU H H 59 7.663 7.848 -0.185 1
1 672 . 20 1 1 A 59 59 GLU HA H 59 4.341 4.413 -0.072 1
1 677 . 20 1 1 A 59 59 GLU C C 59 175.690 176.237 -0.547 1
1 678 . 20 1 1 A 59 59 GLU CA C 59 55.425 55.816 -0.391 1
1 679 . 20 1 1 A 59 59 GLU CB C 59 31.140 30.666 0.474 1
1 681 . 20 1 1 A 59 59 GLU N N 59 117.763 116.653 1.110 1
1 682 . 20 1 1 A 60 60 ILE H H 60 7.457 7.106 0.351 1
1 683 . 20 1 1 A 60 60 ILE HA H 60 3.962 4.042 -0.080 1
1 693 . 20 1 1 A 60 60 ILE C C 60 174.951 175.249 -0.298 1
1 694 . 20 1 1 A 60 60 ILE CA C 60 61.416 61.128 0.288 1
1 695 . 20 1 1 A 60 60 ILE CB C 60 38.693 38.655 0.038 1
1 699 . 20 1 1 A 60 60 ILE N N 60 120.600 121.132 -0.532 1
1 700 . 20 1 1 A 61 61 GLU H H 61 8.267 8.743 -0.476 1
1 701 . 20 1 1 A 61 61 GLU HA H 61 4.333 4.880 -0.547 1
1 706 . 20 1 1 A 61 61 GLU C C 61 175.576 175.372 0.204 1
1 707 . 20 1 1 A 61 61 GLU CA C 61 55.085 54.953 0.132 1
1 708 . 20 1 1 A 61 61 GLU CB C 61 30.717 31.785 -1.068 1
1 710 . 20 1 1 A 61 61 GLU N N 61 126.935 124.026 2.909 1
1 711 . 20 1 1 A 62 62 ILE H H 62 8.425 8.622 -0.197 1
1 712 . 20 1 1 A 62 62 ILE HA H 62 3.570 4.304 -0.734 1
1 722 . 20 1 1 A 62 62 ILE C C 62 174.594 174.679 -0.085 1
1 723 . 20 1 1 A 62 62 ILE CA C 62 61.570 60.867 0.703 1
1 724 . 20 1 1 A 62 62 ILE CB C 62 38.187 36.765 1.422 1
1 728 . 20 1 1 A 62 62 ILE N N 62 124.857 126.253 -1.396 1
1 729 . 20 1 1 A 63 63 ASP H H 63 8.459 8.930 -0.471 1
1 730 . 20 1 1 A 63 63 ASP HA H 63 4.691 4.832 -0.141 1
1 733 . 20 1 1 A 63 63 ASP C C 63 177.284 176.600 0.684 1
1 734 . 20 1 1 A 63 63 ASP CA C 63 52.272 53.008 -0.736 1
1 735 . 20 1 1 A 63 63 ASP CB C 63 41.160 42.272 -1.112 1
1 736 . 20 1 1 A 63 63 ASP N N 63 126.597 129.028 -2.431 1
1 737 . 20 1 1 A 64 64 PHE H H 64 8.609 8.077 0.532 1
1 738 . 20 1 1 A 64 64 PHE HA H 64 4.016 4.315 -0.299 1
1 746 . 20 1 1 A 64 64 PHE C C 64 177.010 177.375 -0.365 1
1 747 . 20 1 1 A 64 64 PHE CA C 64 59.795 60.589 -0.794 1
1 748 . 20 1 1 A 64 64 PHE CB C 64 38.084 38.001 0.083 1
1 754 . 20 1 1 A 64 64 PHE N N 64 123.270 122.468 0.802 1
1 755 . 20 1 1 A 65 65 GLU H H 65 8.317 8.297 0.020 1
1 756 . 20 1 1 A 65 65 GLU HA H 65 4.171 4.220 -0.049 1
1 761 . 20 1 1 A 65 65 GLU C C 65 177.913 178.060 -0.147 1
1 762 . 20 1 1 A 65 65 GLU CA C 65 57.524 58.895 -1.371 1
1 763 . 20 1 1 A 65 65 GLU CB C 65 29.440 29.679 -0.239 1
1 765 . 20 1 1 A 65 65 GLU N N 65 114.355 120.516 -6.161 1
1 766 . 20 1 1 A 66 66 THR H H 66 7.388 7.363 0.025 1
1 767 . 20 1 1 A 66 66 THR HA H 66 4.396 4.349 0.047 1
1 772 . 20 1 1 A 66 66 THR C C 66 174.662 174.594 0.068 1
1 773 . 20 1 1 A 66 66 THR CA C 66 61.316 64.415 -3.099 1
1 774 . 20 1 1 A 66 66 THR CB C 66 69.711 69.920 -0.209 1
1 776 . 20 1 1 A 66 66 THR N N 66 106.424 115.107 -8.683 1
1 777 . 20 1 1 A 67 67 LEU H H 67 6.677 7.229 -0.552 1
1 778 . 20 1 1 A 67 67 LEU HA H 67 4.350 4.205 0.145 1
1 788 . 20 1 1 A 67 67 LEU C C 67 176.647 177.172 -0.525 1
1 789 . 20 1 1 A 67 67 LEU CA C 67 54.104 55.411 -1.307 1
1 790 . 20 1 1 A 67 67 LEU CB C 67 43.365 42.374 0.991 1
1 794 . 20 1 1 A 67 67 LEU N N 67 120.589 123.477 -2.888 1
1 795 . 20 1 1 A 68 68 LYS H H 68 9.947 8.847 1.100 1
1 796 . 20 1 1 A 68 68 LYS HA H 68 4.387 4.441 -0.054 1
1 805 . 20 1 1 A 68 68 LYS C C 68 176.786 176.755 0.031 1
1 806 . 20 1 1 A 68 68 LYS CA C 68 55.574 54.429 1.145 1
1 807 . 20 1 1 A 68 68 LYS CB C 68 31.897 31.826 0.071 1
1 811 . 20 1 1 A 68 68 LYS N N 68 123.363 122.308 1.055 1
1 812 . 20 1 1 A 69 69 PRO HA H 69 4.091 4.340 -0.249 1
1 819 . 20 1 1 A 69 69 PRO C C 69 178.646 177.934 0.712 1
1 820 . 20 1 1 A 69 69 PRO CA C 69 66.153 64.871 1.282 1
1 821 . 20 1 1 A 69 69 PRO CB C 69 31.985 31.894 0.091 1
1 824 . 20 1 1 A 70 70 SER H H 70 8.490 8.155 0.335 1
1 825 . 20 1 1 A 70 70 SER HA H 70 4.231 4.237 -0.006 1
1 828 . 20 1 1 A 70 70 SER C C 70 177.784 177.394 0.390 1
1 829 . 20 1 1 A 70 70 SER CA C 70 60.787 61.114 -0.327 1
1 830 . 20 1 1 A 70 70 SER CB C 70 61.797 62.492 -0.695 1
1 831 . 20 1 1 A 70 70 SER N N 70 109.802 112.582 -2.780 1
1 832 . 20 1 1 A 71 71 THR H H 71 7.340 7.574 -0.234 1
1 833 . 20 1 1 A 71 71 THR HA H 71 3.735 3.972 -0.237 1
1 838 . 20 1 1 A 71 71 THR C C 71 176.072 176.914 -0.842 1
1 839 . 20 1 1 A 71 71 THR CA C 71 65.913 66.901 -0.988 1
1 840 . 20 1 1 A 71 71 THR CB C 71 67.239 67.885 -0.646 1
1 842 . 20 1 1 A 71 71 THR N N 71 122.295 116.769 5.526 1
1 843 . 20 1 1 A 72 72 LEU H H 72 7.839 7.852 -0.013 1
1 844 . 20 1 1 A 72 72 LEU HA H 72 3.713 3.925 -0.212 1
1 854 . 20 1 1 A 72 72 LEU C C 72 178.998 179.342 -0.344 1
1 855 . 20 1 1 A 72 72 LEU CA C 72 58.622 57.639 0.983 1
1 856 . 20 1 1 A 72 72 LEU CB C 72 40.911 41.352 -0.441 1
1 859 . 20 1 1 A 72 72 LEU N N 72 120.539 121.725 -1.186 1
1 860 . 20 1 1 A 73 73 ARG H H 73 8.244 7.617 0.627 1
1 861 . 20 1 1 A 73 73 ARG HA H 73 4.100 3.802 0.298 1
1 869 . 20 1 1 A 73 73 ARG C C 73 178.935 178.910 0.025 1
1 870 . 20 1 1 A 73 73 ARG CA C 73 57.649 59.561 -1.912 1
1 871 . 20 1 1 A 73 73 ARG CB C 73 28.923 29.587 -0.664 1
1 874 . 20 1 1 A 73 73 ARG N N 73 115.473 120.563 -5.090 1
1 876 . 20 1 1 A 74 74 GLU H H 74 7.758 7.638 0.120 1
1 877 . 20 1 1 A 74 74 GLU HA H 74 4.139 4.046 0.093 1
1 882 . 20 1 1 A 74 74 GLU C C 74 179.640 179.740 -0.100 1
1 883 . 20 1 1 A 74 74 GLU CA C 74 59.519 59.043 0.476 1
1 884 . 20 1 1 A 74 74 GLU CB C 74 28.670 29.462 -0.792 1
1 886 . 20 1 1 A 74 74 GLU N N 74 122.400 118.868 3.532 1
1 887 . 20 1 1 A 75 75 LEU H H 75 8.387 7.888 0.499 1
1 888 . 20 1 1 A 75 75 LEU HA H 75 4.070 4.118 -0.048 1
1 898 . 20 1 1 A 75 75 LEU C C 75 178.024 179.031 -1.007 1
1 899 . 20 1 1 A 75 75 LEU CA C 75 58.147 58.035 0.112 1
1 900 . 20 1 1 A 75 75 LEU CB C 75 42.673 41.437 1.236 1
1 904 . 20 1 1 A 75 75 LEU N N 75 119.699 120.176 -0.477 1
1 905 . 20 1 1 A 76 76 GLU H H 76 8.537 8.430 0.107 1
1 906 . 20 1 1 A 76 76 GLU HA H 76 3.751 3.832 -0.081 1
1 911 . 20 1 1 A 76 76 GLU C C 76 178.799 178.749 0.050 1
1 912 . 20 1 1 A 76 76 GLU CA C 76 59.871 60.078 -0.207 1
1 913 . 20 1 1 A 76 76 GLU CB C 76 30.145 29.228 0.917 1
1 915 . 20 1 1 A 76 76 GLU N N 76 120.074 119.697 0.377 1
1 916 . 20 1 1 A 77 77 ARG H H 77 8.032 7.875 0.157 1
1 917 . 20 1 1 A 77 77 ARG HA H 77 3.934 3.963 -0.029 1
1 924 . 20 1 1 A 77 77 ARG C C 77 179.220 178.129 1.091 1
1 925 . 20 1 1 A 77 77 ARG CA C 77 59.974 58.978 0.996 1
1 926 . 20 1 1 A 77 77 ARG CB C 77 30.413 29.723 0.690 1
1 929 . 20 1 1 A 77 77 ARG N N 77 120.100 119.792 0.308 1
1 930 . 20 1 1 A 78 78 TYR H H 78 8.084 7.621 0.463 1
1 931 . 20 1 1 A 78 78 TYR HA H 78 4.260 4.231 0.029 1
1 938 . 20 1 1 A 78 78 TYR C C 78 178.620 177.160 1.460 1
1 939 . 20 1 1 A 78 78 TYR CA C 78 61.507 61.193 0.314 1
1 940 . 20 1 1 A 78 78 TYR CB C 78 38.440 38.444 -0.004 1
1 945 . 20 1 1 A 78 78 TYR N N 78 120.327 120.602 -0.275 1
1 946 . 20 1 1 A 79 79 VAL H H 79 9.136 8.362 0.774 1
1 947 . 20 1 1 A 79 79 VAL HA H 79 3.161 3.678 -0.517 1
1 955 . 20 1 1 A 79 79 VAL C C 79 178.067 178.338 -0.271 1
1 956 . 20 1 1 A 79 79 VAL CA C 79 67.306 65.559 1.747 1
1 957 . 20 1 1 A 79 79 VAL CB C 79 31.505 31.303 0.202 1
1 960 . 20 1 1 A 79 79 VAL N N 79 120.576 119.022 1.554 1
1 961 . 20 1 1 A 80 80 THR H H 80 8.297 8.217 0.080 1
1 962 . 20 1 1 A 80 80 THR HA H 80 3.721 3.979 -0.258 1
1 967 . 20 1 1 A 80 80 THR C C 80 176.623 175.944 0.679 1
1 968 . 20 1 1 A 80 80 THR CA C 80 66.823 66.012 0.811 1
1 969 . 20 1 1 A 80 80 THR CB C 80 68.508 68.405 0.103 1
1 971 . 20 1 1 A 80 80 THR N N 80 115.107 117.279 -2.172 1
1 972 . 20 1 1 A 81 81 SER H H 81 7.537 8.029 -0.492 1
1 973 . 20 1 1 A 81 81 SER HA H 81 4.165 4.415 -0.250 1
1 976 . 20 1 1 A 81 81 SER C C 81 176.196 174.991 1.205 1
1 977 . 20 1 1 A 81 81 SER CA C 81 61.371 60.667 0.704 1
1 978 . 20 1 1 A 81 81 SER CB C 81 62.826 63.534 -0.708 1
1 979 . 20 1 1 A 81 81 SER N N 81 116.178 117.453 -1.275 1
1 980 . 20 1 1 A 82 82 CYS H H 82 7.523 7.624 -0.101 1
1 981 . 20 1 1 A 82 82 CYS HA H 82 4.084 4.337 -0.253 1
1 984 . 20 1 1 A 82 82 CYS C C 82 176.363 176.430 -0.067 1
1 985 . 20 1 1 A 82 82 CYS CA C 82 62.173 62.452 -0.279 1
1 986 . 20 1 1 A 82 82 CYS CB C 82 27.872 28.204 -0.332 1
1 987 . 20 1 1 A 82 82 CYS N N 82 118.207 119.365 -1.158 1
1 988 . 20 1 1 A 83 83 LEU H H 83 7.652 8.332 -0.680 1
1 989 . 20 1 1 A 83 83 LEU HA H 83 4.216 3.920 0.296 1
1 999 . 20 1 1 A 83 83 LEU C C 83 177.349 178.843 -1.494 1
1 1000 . 20 1 1 A 83 83 LEU CA C 83 55.521 57.891 -2.370 1
1 1001 . 20 1 1 A 83 83 LEU CB C 83 42.550 41.680 0.870 1
1 1005 . 20 1 1 A 83 83 LEU N N 83 118.141 120.381 -2.240 1
1 1006 . 20 1 1 A 84 84 ARG H H 84 7.754 7.701 0.053 1
1 1007 . 20 1 1 A 84 84 ARG HA H 84 4.153 4.085 0.068 1
1 1014 . 20 1 1 A 84 84 ARG C C 84 176.300 175.904 0.396 1
1 1015 . 20 1 1 A 84 84 ARG CA C 84 56.829 58.689 -1.860 1
1 1016 . 20 1 1 A 84 84 ARG CB C 84 29.926 30.162 -0.236 1
1 1019 . 20 1 1 A 84 84 ARG N N 84 118.881 119.189 -0.308 1
1 1020 . 20 1 1 A 85 85 LYS H H 85 7.904 7.736 0.168 1
1 1021 . 20 1 1 A 85 85 LYS HA H 85 4.178 4.175 0.003 1
1 1030 . 20 1 1 A 85 85 LYS C C 85 176.549 176.479 0.070 1
1 1031 . 20 1 1 A 85 85 LYS CA C 85 56.514 57.160 -0.646 1
1 1032 . 20 1 1 A 85 85 LYS CB C 85 32.931 29.580 3.351 1
1 1036 . 20 1 1 A 85 85 LYS N N 85 120.528 118.156 2.372 1
1 1037 . 20 1 1 A 86 86 LYS H H 86 8.139 7.437 0.702 1
1 1038 . 20 1 1 A 86 86 LYS HA H 86 4.194 3.886 0.308 1
1 1047 . 20 1 1 A 86 86 LYS C C 86 176.395 178.548 -2.153 1
1 1048 . 20 1 1 A 86 86 LYS CA C 86 56.244 59.268 -3.024 1
1 1049 . 20 1 1 A 86 86 LYS CB C 86 32.971 32.419 0.552 1
1 1053 . 20 1 1 A 86 86 LYS N N 86 121.979 118.642 3.337 1
1 1054 . 20 1 1 A 87 87 ARG H H 87 8.242 8.554 -0.312 1
1 1055 . 20 1 1 A 87 87 ARG HA H 87 4.223 4.136 0.087 1
1 1062 . 20 1 1 A 87 87 ARG C C 87 175.989 176.245 -0.256 1
1 1063 . 20 1 1 A 87 87 ARG CA C 87 55.953 58.980 -3.027 1
1 1064 . 20 1 1 A 87 87 ARG CB C 87 31.019 29.898 1.121 1
1 1067 . 20 1 1 A 87 87 ARG N N 87 122.606 116.998 5.608 1
1 1068 . 20 1 1 A 88 88 LYS H H 88 8.318 7.698 0.620 1
1 1069 . 20 1 1 A 88 88 LYS HA H 88 4.506 4.591 -0.085 1
1 1074 . 20 1 1 A 88 88 LYS C C 88 174.589 174.357 0.232 1
1 1075 . 20 1 1 A 88 88 LYS CA C 88 54.349 53.980 0.369 1
1 1076 . 20 1 1 A 88 88 LYS CB C 88 32.576 33.424 -0.848 1
1 1077 . 20 1 1 A 88 88 LYS N N 88 124.253 118.765 5.488 1
1 1078 . 20 1 1 A 89 89 PRO HA H 89 4.327 4.803 -0.476 1
1 1085 . 20 1 1 A 89 89 PRO C C 89 176.044 175.926 0.118 1
1 1086 . 20 1 1 A 89 89 PRO CA C 89 63.489 62.392 1.097 1
1 1087 . 20 1 1 A 89 89 PRO CB C 89 31.921 33.102 -1.181 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 85 0.941 1
2 1 1 1 "RMS(OBS, PRED)" CA 86 1.032 1
3 1 1 1 "RMS(OBS, PRED)" CB 82 1.138 1
4 1 1 1 "RMS(OBS, PRED)" H 79 0.458 1
5 1 1 1 "RMS(OBS, PRED)" HA 88 0.311 1
6 1 1 1 "RMS(OBS, PRED)" N 79 2.165 1
7 1 2 1 "RMS(OBS, PRED)" C 85 0.855 1
8 1 2 1 "RMS(OBS, PRED)" CA 86 1.068 1
9 1 2 1 "RMS(OBS, PRED)" CB 82 1.178 1
10 1 2 1 "RMS(OBS, PRED)" H 79 0.437 1
11 1 2 1 "RMS(OBS, PRED)" HA 88 0.302 1
12 1 2 1 "RMS(OBS, PRED)" N 79 2.213 1
13 1 3 1 "RMS(OBS, PRED)" C 85 0.842 1
14 1 3 1 "RMS(OBS, PRED)" CA 86 1.080 1
15 1 3 1 "RMS(OBS, PRED)" CB 82 1.089 1
16 1 3 1 "RMS(OBS, PRED)" H 79 0.418 1
17 1 3 1 "RMS(OBS, PRED)" HA 88 0.252 1
18 1 3 1 "RMS(OBS, PRED)" N 79 2.355 1
19 1 4 1 "RMS(OBS, PRED)" C 85 0.857 1
20 1 4 1 "RMS(OBS, PRED)" CA 86 0.907 1
21 1 4 1 "RMS(OBS, PRED)" CB 82 1.008 1
22 1 4 1 "RMS(OBS, PRED)" H 79 0.447 1
23 1 4 1 "RMS(OBS, PRED)" HA 88 0.256 1
24 1 4 1 "RMS(OBS, PRED)" N 79 2.378 1
25 1 5 1 "RMS(OBS, PRED)" C 85 0.857 1
26 1 5 1 "RMS(OBS, PRED)" CA 86 1.054 1
27 1 5 1 "RMS(OBS, PRED)" CB 82 1.027 1
28 1 5 1 "RMS(OBS, PRED)" H 79 0.424 1
29 1 5 1 "RMS(OBS, PRED)" HA 88 0.280 1
30 1 5 1 "RMS(OBS, PRED)" N 79 2.155 1
31 1 6 1 "RMS(OBS, PRED)" C 85 0.900 1
32 1 6 1 "RMS(OBS, PRED)" CA 86 1.093 1
33 1 6 1 "RMS(OBS, PRED)" CB 82 1.067 1
34 1 6 1 "RMS(OBS, PRED)" H 79 0.434 1
35 1 6 1 "RMS(OBS, PRED)" HA 88 0.267 1
36 1 6 1 "RMS(OBS, PRED)" N 79 2.364 1
37 1 7 1 "RMS(OBS, PRED)" C 85 0.804 1
38 1 7 1 "RMS(OBS, PRED)" CA 86 0.975 1
39 1 7 1 "RMS(OBS, PRED)" CB 82 0.977 1
40 1 7 1 "RMS(OBS, PRED)" H 79 0.409 1
41 1 7 1 "RMS(OBS, PRED)" HA 88 0.252 1
42 1 7 1 "RMS(OBS, PRED)" N 79 2.333 1
43 1 8 1 "RMS(OBS, PRED)" C 85 0.926 1
44 1 8 1 "RMS(OBS, PRED)" CA 86 1.056 1
45 1 8 1 "RMS(OBS, PRED)" CB 82 1.116 1
46 1 8 1 "RMS(OBS, PRED)" H 79 0.446 1
47 1 8 1 "RMS(OBS, PRED)" HA 88 0.293 1
48 1 8 1 "RMS(OBS, PRED)" N 79 2.253 1
49 1 9 1 "RMS(OBS, PRED)" C 85 0.911 1
50 1 9 1 "RMS(OBS, PRED)" CA 86 1.165 1
51 1 9 1 "RMS(OBS, PRED)" CB 82 1.202 1
52 1 9 1 "RMS(OBS, PRED)" H 79 0.448 1
53 1 9 1 "RMS(OBS, PRED)" HA 88 0.314 1
54 1 9 1 "RMS(OBS, PRED)" N 79 2.336 1
55 1 10 1 "RMS(OBS, PRED)" C 85 0.943 1
56 1 10 1 "RMS(OBS, PRED)" CA 86 1.176 1
57 1 10 1 "RMS(OBS, PRED)" CB 82 1.306 1
58 1 10 1 "RMS(OBS, PRED)" H 79 0.382 1
59 1 10 1 "RMS(OBS, PRED)" HA 88 0.291 1
60 1 10 1 "RMS(OBS, PRED)" N 79 2.407 1
61 1 11 1 "RMS(OBS, PRED)" C 85 0.941 1
62 1 11 1 "RMS(OBS, PRED)" CA 86 1.116 1
63 1 11 1 "RMS(OBS, PRED)" CB 82 0.990 1
64 1 11 1 "RMS(OBS, PRED)" H 79 0.421 1
65 1 11 1 "RMS(OBS, PRED)" HA 88 0.271 1
66 1 11 1 "RMS(OBS, PRED)" N 79 2.315 1
67 1 12 1 "RMS(OBS, PRED)" C 85 0.768 1
68 1 12 1 "RMS(OBS, PRED)" CA 86 0.993 1
69 1 12 1 "RMS(OBS, PRED)" CB 82 1.053 1
70 1 12 1 "RMS(OBS, PRED)" H 79 0.426 1
71 1 12 1 "RMS(OBS, PRED)" HA 88 0.272 1
72 1 12 1 "RMS(OBS, PRED)" N 79 2.422 1
73 1 13 1 "RMS(OBS, PRED)" C 85 0.804 1
74 1 13 1 "RMS(OBS, PRED)" CA 86 1.044 1
75 1 13 1 "RMS(OBS, PRED)" CB 82 0.959 1
76 1 13 1 "RMS(OBS, PRED)" H 79 0.462 1
77 1 13 1 "RMS(OBS, PRED)" HA 88 0.284 1
78 1 13 1 "RMS(OBS, PRED)" N 79 2.431 1
79 1 14 1 "RMS(OBS, PRED)" C 85 0.878 1
80 1 14 1 "RMS(OBS, PRED)" CA 86 0.999 1
81 1 14 1 "RMS(OBS, PRED)" CB 82 1.062 1
82 1 14 1 "RMS(OBS, PRED)" H 79 0.426 1
83 1 14 1 "RMS(OBS, PRED)" HA 88 0.241 1
84 1 14 1 "RMS(OBS, PRED)" N 79 2.317 1
85 1 15 1 "RMS(OBS, PRED)" C 85 0.898 1
86 1 15 1 "RMS(OBS, PRED)" CA 86 1.036 1
87 1 15 1 "RMS(OBS, PRED)" CB 82 1.305 1
88 1 15 1 "RMS(OBS, PRED)" H 79 0.463 1
89 1 15 1 "RMS(OBS, PRED)" HA 88 0.339 1
90 1 15 1 "RMS(OBS, PRED)" N 79 2.413 1
91 1 16 1 "RMS(OBS, PRED)" C 85 0.895 1
92 1 16 1 "RMS(OBS, PRED)" CA 86 0.987 1
93 1 16 1 "RMS(OBS, PRED)" CB 82 1.000 1
94 1 16 1 "RMS(OBS, PRED)" H 79 0.422 1
95 1 16 1 "RMS(OBS, PRED)" HA 88 0.292 1
96 1 16 1 "RMS(OBS, PRED)" N 79 2.497 1
97 1 17 1 "RMS(OBS, PRED)" C 85 0.842 1
98 1 17 1 "RMS(OBS, PRED)" CA 86 1.041 1
99 1 17 1 "RMS(OBS, PRED)" CB 82 1.135 1
100 1 17 1 "RMS(OBS, PRED)" H 79 0.471 1
101 1 17 1 "RMS(OBS, PRED)" HA 88 0.319 1
102 1 17 1 "RMS(OBS, PRED)" N 79 2.394 1
103 1 18 1 "RMS(OBS, PRED)" C 85 0.818 1
104 1 18 1 "RMS(OBS, PRED)" CA 86 1.201 1
105 1 18 1 "RMS(OBS, PRED)" CB 82 1.017 1
106 1 18 1 "RMS(OBS, PRED)" H 79 0.418 1
107 1 18 1 "RMS(OBS, PRED)" HA 88 0.278 1
108 1 18 1 "RMS(OBS, PRED)" N 79 2.580 1
109 1 19 1 "RMS(OBS, PRED)" C 85 0.998 1
110 1 19 1 "RMS(OBS, PRED)" CA 86 1.143 1
111 1 19 1 "RMS(OBS, PRED)" CB 82 1.095 1
112 1 19 1 "RMS(OBS, PRED)" H 79 0.438 1
113 1 19 1 "RMS(OBS, PRED)" HA 88 0.306 1
114 1 19 1 "RMS(OBS, PRED)" N 79 2.283 1
115 1 20 1 "RMS(OBS, PRED)" C 85 0.984 1
116 1 20 1 "RMS(OBS, PRED)" CA 86 1.147 1
117 1 20 1 "RMS(OBS, PRED)" CB 82 1.133 1
118 1 20 1 "RMS(OBS, PRED)" H 79 0.420 1
119 1 20 1 "RMS(OBS, PRED)" HA 88 0.304 1
120 1 20 1 "RMS(OBS, PRED)" N 79 2.575 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 4 4 GLY C C 4 174.318 173.451 0.867 2
1 2 . 1 1 A 4 4 GLY CA C 4 45.318 45.536 -0.218 2
1 3 . 1 1 A 5 5 SER H H 5 8.211 8.352 -0.141 2
1 4 . 1 1 A 5 5 SER HA H 5 4.460 4.643 -0.183 2
1 7 . 1 1 A 5 5 SER C C 5 174.891 173.437 1.454 2
1 8 . 1 1 A 5 5 SER CA C 5 58.299 58.433 -0.134 2
1 9 . 1 1 A 5 5 SER CB C 5 64.052 64.267 -0.215 2
1 10 . 1 1 A 5 5 SER N N 5 115.510 116.663 -1.153 2
1 11 . 1 1 A 6 6 SER H H 6 8.444 8.451 -0.007 2
1 12 . 1 1 A 6 6 SER HA H 6 4.428 4.787 -0.359 2
1 15 . 1 1 A 6 6 SER C C 6 175.096 173.979 1.117 2
1 16 . 1 1 A 6 6 SER CA C 6 58.706 57.994 0.712 2
1 17 . 1 1 A 6 6 SER CB C 6 63.920 65.548 -1.628 2
1 18 . 1 1 A 6 6 SER N N 6 117.613 116.296 1.317 2
1 19 . 1 1 A 7 7 GLY H H 7 8.359 8.402 -0.043 2
1 20 . 1 1 A 7 7 GLY HA2 H 7 3.916 4.056 -0.140 2
1 21 . 1 1 A 7 7 GLY HA3 H 7 3.916 4.056 -0.140 2
1 22 . 1 1 A 7 7 GLY C C 7 174.309 173.585 0.724 2
1 23 . 1 1 A 7 7 GLY CA C 7 45.399 45.586 -0.187 2
1 24 . 1 1 A 7 7 GLY N N 7 110.468 109.847 0.620 2
1 25 . 1 1 A 8 8 GLU H H 8 8.235 8.358 -0.123 2
1 26 . 1 1 A 8 8 GLU HA H 8 4.248 4.564 -0.316 2
1 31 . 1 1 A 8 8 GLU C C 8 176.732 176.113 0.619 2
1 32 . 1 1 A 8 8 GLU CA C 8 56.630 56.132 0.498 2
1 33 . 1 1 A 8 8 GLU CB C 8 30.243 30.988 -0.745 2
1 35 . 1 1 A 8 8 GLU N N 8 120.254 121.470 -1.216 2
1 36 . 1 1 A 9 9 SER H H 9 8.327 8.602 -0.275 2
1 37 . 1 1 A 9 9 SER HA H 9 4.385 4.677 -0.292 2
1 40 . 1 1 A 9 9 SER C C 9 174.682 174.842 -0.160 2
1 41 . 1 1 A 9 9 SER CA C 9 58.470 57.919 0.551 2
1 42 . 1 1 A 9 9 SER CB C 9 63.742 63.605 0.137 2
1 43 . 1 1 A 9 9 SER N N 9 116.213 117.902 -1.689 2
1 44 . 1 1 A 10 10 GLU H H 10 8.428 8.396 0.032 2
1 45 . 1 1 A 10 10 GLU HA H 10 4.232 4.092 0.140 2
1 50 . 1 1 A 10 10 GLU C C 10 176.769 178.581 -1.812 2
1 51 . 1 1 A 10 10 GLU CA C 10 56.887 59.102 -2.215 2
1 52 . 1 1 A 10 10 GLU CB C 10 30.267 29.505 0.762 2
1 54 . 1 1 A 10 10 GLU N N 10 122.618 122.801 -0.183 2
1 55 . 1 1 A 11 11 GLU H H 11 8.315 8.287 0.028 2
1 56 . 1 1 A 11 11 GLU HA H 11 4.179 4.162 0.017 2
1 61 . 1 1 A 11 11 GLU C C 11 177.182 178.259 -1.077 2
1 62 . 1 1 A 11 11 GLU CA C 11 56.896 58.567 -1.671 2
1 63 . 1 1 A 11 11 GLU CB C 11 30.317 29.263 1.054 2
1 65 . 1 1 A 11 11 GLU N N 11 120.909 118.985 1.924 2
1 66 . 1 1 A 12 12 GLU H H 12 8.333 8.107 0.226 2
1 67 . 1 1 A 12 12 GLU HA H 12 4.100 4.219 -0.119 2
1 72 . 1 1 A 12 12 GLU C C 12 176.860 177.077 -0.217 2
1 73 . 1 1 A 12 12 GLU CA C 12 57.495 58.159 -0.664 2
1 74 . 1 1 A 12 12 GLU CB C 12 30.221 29.681 0.540 2
1 76 . 1 1 A 12 12 GLU N N 12 121.578 118.654 2.924 2
1 77 . 1 1 A 13 13 ASP H H 13 8.332 7.790 0.543 2
1 78 . 1 1 A 13 13 ASP HA H 13 4.468 4.733 -0.265 2
1 81 . 1 1 A 13 13 ASP C C 13 176.833 175.542 1.291 2
1 82 . 1 1 A 13 13 ASP CA C 13 54.921 53.843 1.078 2
1 83 . 1 1 A 13 13 ASP CB C 13 40.912 40.832 0.080 2
1 84 . 1 1 A 13 13 ASP N N 13 120.147 119.377 0.770 2
1 85 . 1 1 A 14 14 LYS H H 14 8.014 7.773 0.241 2
1 86 . 1 1 A 14 14 LYS HA H 14 4.204 4.568 -0.364 2
1 95 . 1 1 A 14 14 LYS C C 14 176.568 175.762 0.806 2
1 96 . 1 1 A 14 14 LYS CA C 14 56.558 55.833 0.725 2
1 97 . 1 1 A 14 14 LYS CB C 14 32.598 34.590 -1.992 2
1 101 . 1 1 A 14 14 LYS N N 14 120.485 119.891 0.594 2
1 102 . 1 1 A 15 15 CYS H H 15 8.013 8.506 -0.493 2
1 103 . 1 1 A 15 15 CYS HA H 15 4.304 5.109 -0.805 2
1 106 . 1 1 A 15 15 CYS C C 15 173.801 173.414 0.387 2
1 107 . 1 1 A 15 15 CYS CA C 15 58.337 57.531 0.806 2
1 108 . 1 1 A 15 15 CYS CB C 15 28.061 30.707 -2.646 2
1 109 . 1 1 A 15 15 CYS N N 15 118.099 118.833 -0.734 2
1 110 . 1 1 A 16 16 LYS H H 16 8.287 8.498 -0.211 2
1 111 . 1 1 A 16 16 LYS HA H 16 4.491 4.696 -0.205 2
1 120 . 1 1 A 16 16 LYS C C 16 175.117 174.244 0.873 2
1 121 . 1 1 A 16 16 LYS CA C 16 54.512 53.675 0.837 2
1 122 . 1 1 A 16 16 LYS CB C 16 32.697 33.333 -0.636 2
1 124 . 1 1 A 16 16 LYS N N 16 125.369 122.352 3.017 2
1 125 . 1 1 A 17 17 PRO HA H 17 4.247 4.649 -0.402 2
1 132 . 1 1 A 17 17 PRO C C 17 176.956 175.969 0.987 2
1 133 . 1 1 A 17 17 PRO CA C 17 63.088 62.731 0.357 2
1 134 . 1 1 A 17 17 PRO CB C 17 32.244 32.304 -0.060 2
1 137 . 1 1 A 18 18 MET H H 18 8.516 8.386 0.130 2
1 138 . 1 1 A 18 18 MET HA H 18 4.488 4.880 -0.392 2
1 146 . 1 1 A 18 18 MET C C 18 176.759 175.851 0.908 2
1 147 . 1 1 A 18 18 MET CA C 18 56.169 54.748 1.421 2
1 148 . 1 1 A 18 18 MET CB C 18 35.531 34.228 1.303 2
1 151 . 1 1 A 18 18 MET N N 18 121.801 121.300 0.501 2
1 152 . 1 1 A 19 19 SER H H 19 9.100 8.959 0.141 2
1 153 . 1 1 A 19 19 SER HA H 19 4.459 4.635 -0.176 2
1 156 . 1 1 A 19 19 SER C C 19 175.018 175.162 -0.144 2
1 157 . 1 1 A 19 19 SER CA C 19 56.894 58.285 -1.391 2
1 158 . 1 1 A 19 19 SER CB C 19 65.854 64.379 1.475 2
1 159 . 1 1 A 19 19 SER N N 19 119.212 119.949 -0.737 2
1 160 . 1 1 A 20 20 TYR H H 20 8.959 9.280 -0.321 2
1 161 . 1 1 A 20 20 TYR HA H 20 4.029 4.132 -0.103 2
1 168 . 1 1 A 20 20 TYR C C 20 177.960 177.352 0.608 2
1 169 . 1 1 A 20 20 TYR CA C 20 62.463 62.547 -0.084 2
1 170 . 1 1 A 20 20 TYR CB C 20 38.009 38.792 -0.783 2
1 175 . 1 1 A 20 20 TYR N N 20 121.218 125.036 -3.818 2
1 176 . 1 1 A 21 21 GLU H H 21 8.825 8.258 0.567 2
1 177 . 1 1 A 21 21 GLU HA H 21 3.811 3.708 0.103 2
1 182 . 1 1 A 21 21 GLU C C 21 179.481 179.096 0.385 2
1 183 . 1 1 A 21 21 GLU CA C 21 59.951 59.855 0.096 2
1 184 . 1 1 A 21 21 GLU CB C 21 28.823 29.187 -0.364 2
1 186 . 1 1 A 21 21 GLU N N 21 118.696 117.968 0.728 2
1 187 . 1 1 A 22 22 GLU H H 22 7.771 8.070 -0.299 2
1 188 . 1 1 A 22 22 GLU HA H 22 3.899 4.060 -0.161 2
1 193 . 1 1 A 22 22 GLU C C 22 179.680 179.220 0.460 2
1 194 . 1 1 A 22 22 GLU CA C 22 59.498 59.047 0.451 2
1 195 . 1 1 A 22 22 GLU CB C 22 30.385 29.520 0.865 2
1 197 . 1 1 A 22 22 GLU N N 22 120.141 120.657 -0.516 2
1 198 . 1 1 A 23 23 LYS H H 23 8.101 7.756 0.345 2
1 199 . 1 1 A 23 23 LYS HA H 23 3.662 3.771 -0.109 2
1 208 . 1 1 A 23 23 LYS C C 23 178.250 179.027 -0.777 2
1 209 . 1 1 A 23 23 LYS CA C 23 60.345 59.710 0.635 2
1 210 . 1 1 A 23 23 LYS CB C 23 32.611 32.059 0.552 2
1 214 . 1 1 A 23 23 LYS N N 23 120.594 119.370 1.224 2
1 215 . 1 1 A 24 24 ARG H H 24 8.030 7.769 0.261 2
1 216 . 1 1 A 24 24 ARG HA H 24 3.721 3.837 -0.116 2
1 223 . 1 1 A 24 24 ARG C C 24 178.992 178.629 0.363 2
1 224 . 1 1 A 24 24 ARG CA C 24 59.055 59.239 -0.184 2
1 225 . 1 1 A 24 24 ARG CB C 24 29.623 29.830 -0.207 2
1 228 . 1 1 A 24 24 ARG N N 24 120.100 118.706 1.394 2
1 229 . 1 1 A 25 25 GLN H H 25 7.940 7.814 0.126 2
1 230 . 1 1 A 25 25 GLN HA H 25 3.706 3.966 -0.260 2
1 237 . 1 1 A 25 25 GLN C C 25 177.078 177.845 -0.767 2
1 238 . 1 1 A 25 25 GLN CA C 25 58.104 58.636 -0.532 2
1 239 . 1 1 A 25 25 GLN CB C 25 28.294 28.141 0.153 2
1 241 . 1 1 A 25 25 GLN N N 25 118.586 119.576 -0.990 2
1 243 . 1 1 A 26 26 LEU H H 26 7.843 7.903 -0.060 2
1 244 . 1 1 A 26 26 LEU HA H 26 4.182 4.013 0.169 2
1 254 . 1 1 A 26 26 LEU C C 26 178.116 178.605 -0.489 2
1 255 . 1 1 A 26 26 LEU CA C 26 57.867 57.751 0.116 2
1 256 . 1 1 A 26 26 LEU CB C 26 41.167 41.282 -0.115 2
1 259 . 1 1 A 26 26 LEU N N 26 119.570 121.390 -1.820 2
1 260 . 1 1 A 27 27 SER H H 27 7.710 7.616 0.094 2
1 261 . 1 1 A 27 27 SER HA H 27 3.869 4.272 -0.403 2
1 264 . 1 1 A 27 27 SER C C 27 176.845 177.529 -0.684 2
1 265 . 1 1 A 27 27 SER CA C 27 61.478 61.414 0.064 2
1 266 . 1 1 A 27 27 SER CB C 27 62.828 62.885 -0.057 2
1 267 . 1 1 A 27 27 SER N N 27 112.126 114.725 -2.599 2
1 268 . 1 1 A 28 28 LEU H H 28 7.613 8.046 -0.433 2
1 269 . 1 1 A 28 28 LEU HA H 28 3.954 3.936 0.018 2
1 279 . 1 1 A 28 28 LEU C C 28 180.044 178.773 1.271 2
1 280 . 1 1 A 28 28 LEU CA C 28 57.862 58.003 -0.141 2
1 281 . 1 1 A 28 28 LEU CB C 28 41.703 41.524 0.179 2
1 285 . 1 1 A 28 28 LEU N N 28 120.774 121.838 -1.064 2
1 286 . 1 1 A 29 29 ASP H H 29 8.476 7.989 0.487 2
1 287 . 1 1 A 29 29 ASP HA H 29 4.236 4.470 -0.234 2
1 290 . 1 1 A 29 29 ASP C C 29 179.532 178.998 0.534 2
1 291 . 1 1 A 29 29 ASP CA C 29 57.618 57.345 0.273 2
1 292 . 1 1 A 29 29 ASP CB C 29 40.447 40.661 -0.214 2
1 293 . 1 1 A 29 29 ASP N N 29 120.971 118.880 2.091 2
1 294 . 1 1 A 30 30 ILE H H 30 8.558 8.044 0.514 2
1 295 . 1 1 A 30 30 ILE HA H 30 3.564 3.679 -0.115 2
1 305 . 1 1 A 30 30 ILE C C 30 178.098 178.126 -0.029 2
1 306 . 1 1 A 30 30 ILE CA C 30 65.616 65.155 0.461 2
1 307 . 1 1 A 30 30 ILE CB C 30 37.697 37.678 0.019 2
1 311 . 1 1 A 30 30 ILE N N 30 120.240 121.307 -1.067 2
1 312 . 1 1 A 31 31 ASN H H 31 7.350 8.271 -0.921 2
1 313 . 1 1 A 31 31 ASN HA H 31 4.560 4.552 0.008 2
1 318 . 1 1 A 31 31 ASN C C 31 175.952 177.132 -1.181 2
1 319 . 1 1 A 31 31 ASN CA C 31 54.997 56.246 -1.249 2
1 320 . 1 1 A 31 31 ASN CB C 31 38.769 38.166 0.603 2
1 321 . 1 1 A 31 31 ASN N N 31 115.285 118.124 -2.839 2
1 323 . 1 1 A 32 32 LYS H H 32 7.509 7.576 -0.067 2
1 324 . 1 1 A 32 32 LYS HA H 32 4.286 4.343 -0.057 2
1 333 . 1 1 A 32 32 LYS C C 32 177.232 176.833 0.399 2
1 334 . 1 1 A 32 32 LYS CA C 32 56.330 57.159 -0.829 2
1 335 . 1 1 A 32 32 LYS CB C 32 33.570 32.859 0.711 2
1 339 . 1 1 A 32 32 LYS N N 32 117.496 117.248 0.248 2
1 340 . 1 1 A 33 33 LEU H H 33 7.455 7.337 0.118 2
1 341 . 1 1 A 33 33 LEU HA H 33 4.265 4.427 -0.162 2
1 351 . 1 1 A 33 33 LEU CA C 33 53.436 53.058 0.378 2
1 352 . 1 1 A 33 33 LEU CB C 33 41.464 41.518 -0.054 2
1 356 . 1 1 A 33 33 LEU N N 33 120.501 121.102 -0.601 2
1 357 . 1 1 A 34 34 PRO HA H 34 4.561 4.642 -0.081 2
1 364 . 1 1 A 34 34 PRO C C 34 178.359 177.852 0.507 2
1 365 . 1 1 A 34 34 PRO CA C 34 62.251 62.384 -0.133 2
1 366 . 1 1 A 34 34 PRO CB C 34 32.489 32.674 -0.185 2
1 369 . 1 1 A 35 35 GLY H H 35 8.865 8.715 0.150 2
1 370 . 1 1 A 35 35 GLY HA2 H 35 3.709 3.822 -0.113 2
1 371 . 1 1 A 35 35 GLY HA3 H 35 4.005 3.826 0.179 2
1 372 . 1 1 A 35 35 GLY C C 35 176.845 175.816 1.029 2
1 373 . 1 1 A 35 35 GLY CA C 35 48.165 47.276 0.889 2
1 374 . 1 1 A 35 35 GLY N N 35 109.986 109.751 0.235 2
1 375 . 1 1 A 36 36 GLU H H 36 9.360 8.821 0.539 2
1 376 . 1 1 A 36 36 GLU HA H 36 4.233 4.082 0.151 2
1 381 . 1 1 A 36 36 GLU C C 36 178.326 178.013 0.313 2
1 382 . 1 1 A 36 36 GLU CA C 36 58.964 58.916 0.048 2
1 383 . 1 1 A 36 36 GLU CB C 36 28.689 28.687 0.002 2
1 385 . 1 1 A 36 36 GLU N N 36 119.485 121.048 -1.563 2
1 386 . 1 1 A 37 37 LYS H H 37 7.734 7.857 -0.123 2
1 387 . 1 1 A 37 37 LYS HA H 37 4.516 4.405 0.111 2
1 396 . 1 1 A 37 37 LYS C C 37 178.698 178.502 0.196 2
1 397 . 1 1 A 37 37 LYS CA C 37 55.977 57.060 -1.083 2
1 398 . 1 1 A 37 37 LYS CB C 37 32.981 33.007 -0.026 2
1 402 . 1 1 A 37 37 LYS N N 37 116.668 118.951 -2.283 2
1 403 . 1 1 A 38 38 LEU H H 38 7.882 8.058 -0.176 2
1 404 . 1 1 A 38 38 LEU HA H 38 4.103 4.008 0.095 2
1 414 . 1 1 A 38 38 LEU C C 38 179.042 178.628 0.414 2
1 415 . 1 1 A 38 38 LEU CA C 38 57.832 57.876 -0.044 2
1 416 . 1 1 A 38 38 LEU CB C 38 41.753 41.896 -0.143 2
1 420 . 1 1 A 38 38 LEU N N 38 121.898 121.861 0.037 2
1 421 . 1 1 A 39 39 GLY H H 39 8.212 7.970 0.242 2
1 422 . 1 1 A 39 39 GLY HA2 H 39 3.720 3.883 -0.163 2
1 423 . 1 1 A 39 39 GLY HA3 H 39 3.853 3.901 -0.048 2
1 424 . 1 1 A 39 39 GLY C C 39 176.507 175.332 1.176 2
1 425 . 1 1 A 39 39 GLY CA C 39 47.218 46.735 0.483 2
1 426 . 1 1 A 39 39 GLY N N 39 106.042 106.345 -0.303 2
1 427 . 1 1 A 40 40 ARG H H 40 7.416 7.821 -0.405 2
1 428 . 1 1 A 40 40 ARG HA H 40 4.031 4.040 -0.009 2
1 435 . 1 1 A 40 40 ARG C C 40 177.974 178.578 -0.604 2
1 436 . 1 1 A 40 40 ARG CA C 40 57.460 58.320 -0.860 2
1 437 . 1 1 A 40 40 ARG CB C 40 29.051 29.847 -0.796 2
1 440 . 1 1 A 40 40 ARG N N 40 120.046 121.312 -1.267 2
1 441 . 1 1 A 41 41 VAL H H 41 7.417 7.934 -0.517 2
1 442 . 1 1 A 41 41 VAL HA H 41 3.285 3.484 -0.199 2
1 450 . 1 1 A 41 41 VAL C C 41 177.090 177.826 -0.736 2
1 451 . 1 1 A 41 41 VAL CA C 41 66.979 66.364 0.615 2
1 452 . 1 1 A 41 41 VAL CB C 41 31.059 31.595 -0.536 2
1 455 . 1 1 A 41 41 VAL N N 41 119.285 119.647 -0.362 2
1 456 . 1 1 A 42 42 VAL H H 42 7.493 7.976 -0.483 2
1 457 . 1 1 A 42 42 VAL HA H 42 3.395 3.639 -0.244 2
1 465 . 1 1 A 42 42 VAL C C 42 177.200 178.067 -0.867 2
1 466 . 1 1 A 42 42 VAL CA C 42 66.764 65.754 1.010 2
1 467 . 1 1 A 42 42 VAL CB C 42 31.296 31.185 0.111 2
1 470 . 1 1 A 42 42 VAL N N 42 116.606 119.906 -3.300 2
1 471 . 1 1 A 43 43 HIS H H 43 7.602 7.787 -0.185 2
1 472 . 1 1 A 43 43 HIS HA H 43 4.264 4.266 -0.002 2
1 477 . 1 1 A 43 43 HIS C C 43 178.854 177.793 1.061 2
1 478 . 1 1 A 43 43 HIS CA C 43 59.824 59.677 0.147 2
1 479 . 1 1 A 43 43 HIS CB C 43 30.605 29.761 0.844 2
1 482 . 1 1 A 43 43 HIS N N 43 118.867 119.089 -0.222 2
1 483 . 1 1 A 44 44 ILE H H 44 8.344 7.946 0.398 2
1 484 . 1 1 A 44 44 ILE HA H 44 3.375 3.605 -0.230 2
1 494 . 1 1 A 44 44 ILE C C 44 178.054 178.202 -0.148 2
1 495 . 1 1 A 44 44 ILE CA C 44 65.922 64.418 1.504 2
1 496 . 1 1 A 44 44 ILE CB C 44 37.950 37.597 0.353 2
1 500 . 1 1 A 44 44 ILE N N 44 121.530 119.939 1.591 2
1 501 . 1 1 A 45 45 ILE H H 45 7.604 7.833 -0.229 2
1 502 . 1 1 A 45 45 ILE HA H 45 3.311 3.539 -0.228 2
1 512 . 1 1 A 45 45 ILE C C 45 177.378 178.032 -0.654 2
1 513 . 1 1 A 45 45 ILE CA C 45 66.577 65.056 1.521 2
1 514 . 1 1 A 45 45 ILE CB C 45 38.168 37.436 0.732 2
1 518 . 1 1 A 45 45 ILE N N 45 117.572 120.931 -3.359 2
1 519 . 1 1 A 46 46 GLN H H 46 8.626 8.099 0.527 2
1 520 . 1 1 A 46 46 GLN HA H 46 3.719 4.018 -0.299 2
1 527 . 1 1 A 46 46 GLN C C 46 177.483 178.089 -0.606 2
1 528 . 1 1 A 46 46 GLN CA C 46 59.443 58.645 0.798 2
1 529 . 1 1 A 46 46 GLN CB C 46 28.832 28.334 0.498 2
1 531 . 1 1 A 46 46 GLN N N 46 115.916 119.032 -3.117 2
1 533 . 1 1 A 47 47 SER H H 47 7.862 7.743 0.119 2
1 534 . 1 1 A 47 47 SER HA H 47 4.064 4.208 -0.144 2
1 537 . 1 1 A 47 47 SER C C 47 175.615 175.727 -0.112 2
1 538 . 1 1 A 47 47 SER CA C 47 60.602 60.948 -0.346 2
1 539 . 1 1 A 47 47 SER CB C 47 63.313 63.029 0.284 2
1 540 . 1 1 A 47 47 SER N N 47 110.902 115.549 -4.647 2
1 541 . 1 1 A 48 48 ARG H H 48 7.362 7.975 -0.613 2
1 542 . 1 1 A 48 48 ARG HA H 48 4.306 4.372 -0.066 2
1 549 . 1 1 A 48 48 ARG C C 48 176.365 176.227 0.138 2
1 550 . 1 1 A 48 48 ARG CA C 48 55.992 57.126 -1.134 2
1 551 . 1 1 A 48 48 ARG CB C 48 33.000 31.351 1.649 2
1 554 . 1 1 A 48 48 ARG N N 48 118.403 118.418 -0.015 2
1 555 . 1 1 A 49 49 GLU H H 49 7.714 7.789 -0.075 2
1 556 . 1 1 A 49 49 GLU HA H 49 4.806 4.748 0.058 2
1 561 . 1 1 A 49 49 GLU C C 49 174.213 174.808 -0.595 2
1 562 . 1 1 A 49 49 GLU CA C 49 52.903 53.629 -0.726 2
1 563 . 1 1 A 49 49 GLU CB C 49 28.835 30.097 -1.262 2
1 565 . 1 1 A 49 49 GLU N N 49 118.387 119.138 -0.751 2
1 566 . 1 1 A 50 50 PRO HA H 50 4.273 4.290 -0.017 2
1 573 . 1 1 A 50 50 PRO C C 50 178.412 178.030 0.382 2
1 574 . 1 1 A 50 50 PRO CA C 50 64.641 64.897 -0.256 2
1 575 . 1 1 A 50 50 PRO CB C 50 32.045 32.080 -0.035 2
1 578 . 1 1 A 51 51 SER H H 51 8.290 8.251 0.039 2
1 579 . 1 1 A 51 51 SER HA H 51 4.271 4.292 -0.021 2
1 582 . 1 1 A 51 51 SER C C 51 175.130 175.803 -0.673 2
1 583 . 1 1 A 51 51 SER CA C 51 59.824 60.738 -0.914 2
1 584 . 1 1 A 51 51 SER CB C 51 63.071 62.947 0.124 2
1 585 . 1 1 A 51 51 SER N N 51 112.214 112.812 -0.598 2
1 586 . 1 1 A 52 52 LEU H H 52 7.882 7.860 0.022 2
1 587 . 1 1 A 52 52 LEU HA H 52 4.479 4.282 0.198 2
1 597 . 1 1 A 52 52 LEU C C 52 177.843 177.951 -0.108 2
1 598 . 1 1 A 52 52 LEU CA C 52 54.734 55.390 -0.656 2
1 599 . 1 1 A 52 52 LEU CB C 52 42.500 41.812 0.688 2
1 603 . 1 1 A 52 52 LEU N N 52 121.800 119.436 2.364 2
1 604 . 1 1 A 53 53 LYS H H 53 7.638 7.809 -0.171 2
1 605 . 1 1 A 53 53 LYS HA H 53 4.022 3.985 0.037 2
1 614 . 1 1 A 53 53 LYS C C 53 176.270 177.747 -1.477 2
1 615 . 1 1 A 53 53 LYS CA C 53 58.288 58.579 -0.291 2
1 616 . 1 1 A 53 53 LYS CB C 53 32.924 32.070 0.854 2
1 620 . 1 1 A 53 53 LYS N N 53 121.559 120.556 1.003 2
1 621 . 1 1 A 54 54 ASN H H 54 8.266 7.912 0.354 2
1 622 . 1 1 A 54 54 ASN HA H 54 4.732 4.701 0.031 2
1 627 . 1 1 A 54 54 ASN C C 54 175.097 175.034 0.063 2
1 628 . 1 1 A 54 54 ASN CA C 54 53.020 53.943 -0.923 2
1 629 . 1 1 A 54 54 ASN CB C 54 38.863 38.773 0.090 2
1 630 . 1 1 A 54 54 ASN N N 54 116.053 116.515 -0.462 2
1 632 . 1 1 A 55 55 SER H H 55 7.692 7.518 0.174 2
1 633 . 1 1 A 55 55 SER HA H 55 4.288 4.657 -0.369 2
1 636 . 1 1 A 55 55 SER C C 55 173.418 173.840 -0.422 2
1 637 . 1 1 A 55 55 SER CA C 55 58.900 58.131 0.769 2
1 638 . 1 1 A 55 55 SER CB C 55 63.914 65.004 -1.090 2
1 639 . 1 1 A 55 55 SER N N 55 115.901 116.434 -0.533 2
1 640 . 1 1 A 56 56 ASN H H 56 8.574 8.548 0.026 2
1 641 . 1 1 A 56 56 ASN HA H 56 4.857 4.919 -0.062 2
1 646 . 1 1 A 56 56 ASN C C 56 174.843 175.564 -0.721 2
1 647 . 1 1 A 56 56 ASN CA C 56 50.974 51.334 -0.360 2
1 648 . 1 1 A 56 56 ASN CB C 56 38.744 39.209 -0.465 2
1 649 . 1 1 A 56 56 ASN N N 56 122.245 122.066 0.179 2
1 651 . 1 1 A 57 57 PRO HA H 57 4.079 4.273 -0.194 2
1 658 . 1 1 A 57 57 PRO C C 57 176.856 177.735 -0.879 2
1 659 . 1 1 A 57 57 PRO CA C 57 64.733 65.172 -0.439 2
1 660 . 1 1 A 57 57 PRO CB C 57 31.968 31.784 0.184 2
1 663 . 1 1 A 58 58 ASP H H 58 8.024 8.505 -0.481 2
1 664 . 1 1 A 58 58 ASP HA H 58 4.445 4.498 -0.054 2
1 667 . 1 1 A 58 58 ASP C C 58 176.369 177.182 -0.813 2
1 668 . 1 1 A 58 58 ASP CA C 58 55.247 55.657 -0.410 2
1 669 . 1 1 A 58 58 ASP CB C 58 40.828 40.306 0.522 2
1 670 . 1 1 A 58 58 ASP N N 58 114.883 116.527 -1.644 2
1 671 . 1 1 A 59 59 GLU H H 59 7.663 7.669 -0.006 2
1 672 . 1 1 A 59 59 GLU HA H 59 4.341 4.415 -0.074 2
1 677 . 1 1 A 59 59 GLU C C 59 175.690 175.962 -0.272 2
1 678 . 1 1 A 59 59 GLU CA C 59 55.425 56.279 -0.854 2
1 679 . 1 1 A 59 59 GLU CB C 59 31.140 30.526 0.614 2
1 681 . 1 1 A 59 59 GLU N N 59 117.763 117.110 0.653 2
1 682 . 1 1 A 60 60 ILE H H 60 7.457 7.283 0.174 2
1 683 . 1 1 A 60 60 ILE HA H 60 3.962 4.195 -0.233 2
1 693 . 1 1 A 60 60 ILE C C 60 174.951 175.089 -0.138 2
1 694 . 1 1 A 60 60 ILE CA C 60 61.416 60.708 0.708 2
1 695 . 1 1 A 60 60 ILE CB C 60 38.693 38.729 -0.036 2
1 699 . 1 1 A 60 60 ILE N N 60 120.600 121.132 -0.532 2
1 700 . 1 1 A 61 61 GLU H H 61 8.267 8.704 -0.437 2
1 701 . 1 1 A 61 61 GLU HA H 61 4.333 4.724 -0.391 2
1 706 . 1 1 A 61 61 GLU C C 61 175.576 175.643 -0.067 2
1 707 . 1 1 A 61 61 GLU CA C 61 55.085 55.456 -0.371 2
1 708 . 1 1 A 61 61 GLU CB C 61 30.717 31.366 -0.649 2
1 710 . 1 1 A 61 61 GLU N N 61 126.935 125.862 1.073 2
1 711 . 1 1 A 62 62 ILE H H 62 8.425 8.632 -0.207 2
1 712 . 1 1 A 62 62 ILE HA H 62 3.570 4.416 -0.846 2
1 722 . 1 1 A 62 62 ILE C C 62 174.594 174.478 0.116 2
1 723 . 1 1 A 62 62 ILE CA C 62 61.570 60.526 1.044 2
1 724 . 1 1 A 62 62 ILE CB C 62 38.187 37.981 0.206 2
1 728 . 1 1 A 62 62 ILE N N 62 124.857 124.540 0.317 2
1 729 . 1 1 A 63 63 ASP H H 63 8.459 8.624 -0.165 2
1 730 . 1 1 A 63 63 ASP HA H 63 4.691 5.032 -0.341 2
1 733 . 1 1 A 63 63 ASP C C 63 177.284 175.846 1.437 2
1 734 . 1 1 A 63 63 ASP CA C 63 52.272 52.796 -0.524 2
1 735 . 1 1 A 63 63 ASP CB C 63 41.160 42.910 -1.750 2
1 736 . 1 1 A 63 63 ASP N N 63 126.597 127.854 -1.257 2
1 737 . 1 1 A 64 64 PHE H H 64 8.609 8.605 0.004 2
1 738 . 1 1 A 64 64 PHE HA H 64 4.016 4.376 -0.360 2
1 746 . 1 1 A 64 64 PHE C C 64 177.010 177.072 -0.063 2
1 747 . 1 1 A 64 64 PHE CA C 64 59.795 60.077 -0.282 2
1 748 . 1 1 A 64 64 PHE CB C 64 38.084 38.632 -0.548 2
1 754 . 1 1 A 64 64 PHE N N 64 123.270 123.511 -0.241 2
1 755 . 1 1 A 65 65 GLU H H 65 8.317 8.485 -0.168 2
1 756 . 1 1 A 65 65 GLU HA H 65 4.171 4.306 -0.135 2
1 761 . 1 1 A 65 65 GLU C C 65 177.913 177.842 0.071 2
1 762 . 1 1 A 65 65 GLU CA C 65 57.524 58.460 -0.936 2
1 763 . 1 1 A 65 65 GLU CB C 65 29.440 29.519 -0.079 2
1 765 . 1 1 A 65 65 GLU N N 65 114.355 118.608 -4.253 2
1 766 . 1 1 A 66 66 THR H H 66 7.388 7.627 -0.239 2
1 767 . 1 1 A 66 66 THR HA H 66 4.396 4.495 -0.099 2
1 772 . 1 1 A 66 66 THR C C 66 174.662 174.697 -0.035 2
1 773 . 1 1 A 66 66 THR CA C 66 61.316 62.763 -1.447 2
1 774 . 1 1 A 66 66 THR CB C 66 69.711 70.399 -0.688 2
1 776 . 1 1 A 66 66 THR N N 66 106.424 110.634 -4.210 2
1 777 . 1 1 A 67 67 LEU H H 67 6.677 7.245 -0.568 2
1 778 . 1 1 A 67 67 LEU HA H 67 4.350 4.223 0.127 2
1 788 . 1 1 A 67 67 LEU C C 67 176.647 177.106 -0.459 2
1 789 . 1 1 A 67 67 LEU CA C 67 54.104 55.071 -0.967 2
1 790 . 1 1 A 67 67 LEU CB C 67 43.365 42.284 1.081 2
1 794 . 1 1 A 67 67 LEU N N 67 120.589 124.000 -3.411 2
1 795 . 1 1 A 68 68 LYS H H 68 9.947 8.736 1.211 2
1 796 . 1 1 A 68 68 LYS HA H 68 4.387 4.435 -0.048 2
1 805 . 1 1 A 68 68 LYS C C 68 176.786 176.764 0.022 2
1 806 . 1 1 A 68 68 LYS CA C 68 55.574 54.562 1.012 2
1 807 . 1 1 A 68 68 LYS CB C 68 31.897 31.932 -0.035 2
1 811 . 1 1 A 68 68 LYS N N 68 123.363 122.195 1.168 2
1 812 . 1 1 A 69 69 PRO HA H 69 4.091 4.352 -0.261 2
1 819 . 1 1 A 69 69 PRO C C 69 178.646 178.038 0.608 2
1 820 . 1 1 A 69 69 PRO CA C 69 66.153 65.055 1.098 2
1 821 . 1 1 A 69 69 PRO CB C 69 31.985 31.959 0.026 2
1 824 . 1 1 A 70 70 SER H H 70 8.490 8.238 0.252 2
1 825 . 1 1 A 70 70 SER HA H 70 4.231 4.246 -0.015 2
1 828 . 1 1 A 70 70 SER C C 70 177.784 177.137 0.647 2
1 829 . 1 1 A 70 70 SER CA C 70 60.787 61.032 -0.245 2
1 830 . 1 1 A 70 70 SER CB C 70 61.797 62.711 -0.914 2
1 831 . 1 1 A 70 70 SER N N 70 109.802 113.173 -3.371 2
1 832 . 1 1 A 71 71 THR H H 71 7.340 7.742 -0.402 2
1 833 . 1 1 A 71 71 THR HA H 71 3.735 3.980 -0.245 2
1 838 . 1 1 A 71 71 THR C C 71 176.072 176.455 -0.383 2
1 839 . 1 1 A 71 71 THR CA C 71 65.913 66.898 -0.985 2
1 840 . 1 1 A 71 71 THR CB C 71 67.239 68.436 -1.197 2
1 842 . 1 1 A 71 71 THR N N 71 122.295 117.463 4.832 2
1 843 . 1 1 A 72 72 LEU H H 72 7.839 8.119 -0.280 2
1 844 . 1 1 A 72 72 LEU HA H 72 3.713 3.958 -0.245 2
1 854 . 1 1 A 72 72 LEU C C 72 178.998 179.393 -0.395 2
1 855 . 1 1 A 72 72 LEU CA C 72 58.622 57.902 0.720 2
1 856 . 1 1 A 72 72 LEU CB C 72 40.911 41.202 -0.291 2
1 859 . 1 1 A 72 72 LEU N N 72 120.539 120.616 -0.077 2
1 860 . 1 1 A 73 73 ARG H H 73 8.244 8.129 0.115 2
1 861 . 1 1 A 73 73 ARG HA H 73 4.100 3.915 0.185 2
1 869 . 1 1 A 73 73 ARG C C 73 178.935 178.805 0.130 2
1 870 . 1 1 A 73 73 ARG CA C 73 57.649 59.642 -1.993 2
1 871 . 1 1 A 73 73 ARG CB C 73 28.923 29.819 -0.896 2
1 874 . 1 1 A 73 73 ARG N N 73 115.473 119.727 -4.254 2
1 876 . 1 1 A 74 74 GLU H H 74 7.758 7.794 -0.036 2
1 877 . 1 1 A 74 74 GLU HA H 74 4.139 4.112 0.027 2
1 882 . 1 1 A 74 74 GLU C C 74 179.640 179.530 0.110 2
1 883 . 1 1 A 74 74 GLU CA C 74 59.519 59.221 0.298 2
1 884 . 1 1 A 74 74 GLU CB C 74 28.670 29.418 -0.748 2
1 886 . 1 1 A 74 74 GLU N N 74 122.400 119.571 2.829 2
1 887 . 1 1 A 75 75 LEU H H 75 8.387 7.904 0.483 2
1 888 . 1 1 A 75 75 LEU HA H 75 4.070 4.077 -0.007 2
1 898 . 1 1 A 75 75 LEU C C 75 178.024 179.045 -1.021 2
1 899 . 1 1 A 75 75 LEU CA C 75 58.147 58.043 0.104 2
1 900 . 1 1 A 75 75 LEU CB C 75 42.673 41.329 1.344 2
1 904 . 1 1 A 75 75 LEU N N 75 119.699 120.526 -0.827 2
1 905 . 1 1 A 76 76 GLU H H 76 8.537 8.512 0.025 2
1 906 . 1 1 A 76 76 GLU HA H 76 3.751 3.897 -0.146 2
1 911 . 1 1 A 76 76 GLU C C 76 178.799 178.857 -0.058 2
1 912 . 1 1 A 76 76 GLU CA C 76 59.871 59.970 -0.099 2
1 913 . 1 1 A 76 76 GLU CB C 76 30.145 29.218 0.927 2
1 915 . 1 1 A 76 76 GLU N N 76 120.074 119.638 0.436 2
1 916 . 1 1 A 77 77 ARG H H 77 8.032 7.760 0.272 2
1 917 . 1 1 A 77 77 ARG HA H 77 3.934 4.030 -0.096 2
1 924 . 1 1 A 77 77 ARG C C 77 179.220 178.161 1.059 2
1 925 . 1 1 A 77 77 ARG CA C 77 59.974 59.098 0.876 2
1 926 . 1 1 A 77 77 ARG CB C 77 30.413 29.853 0.560 2
1 929 . 1 1 A 77 77 ARG N N 77 120.100 119.847 0.253 2
1 930 . 1 1 A 78 78 TYR H H 78 8.084 7.873 0.210 2
1 931 . 1 1 A 78 78 TYR HA H 78 4.260 4.203 0.057 2
1 938 . 1 1 A 78 78 TYR C C 78 178.620 177.345 1.275 2
1 939 . 1 1 A 78 78 TYR CA C 78 61.507 61.255 0.252 2
1 940 . 1 1 A 78 78 TYR CB C 78 38.440 38.643 -0.203 2
1 945 . 1 1 A 78 78 TYR N N 78 120.327 120.971 -0.644 2
1 946 . 1 1 A 79 79 VAL H H 79 9.136 8.108 1.028 2
1 947 . 1 1 A 79 79 VAL HA H 79 3.161 3.669 -0.508 2
1 955 . 1 1 A 79 79 VAL C C 79 178.067 178.285 -0.218 2
1 956 . 1 1 A 79 79 VAL CA C 79 67.306 65.595 1.711 2
1 957 . 1 1 A 79 79 VAL CB C 79 31.505 31.439 0.066 2
1 960 . 1 1 A 79 79 VAL N N 79 120.576 119.010 1.566 2
1 961 . 1 1 A 80 80 THR H H 80 8.297 8.190 0.107 2
1 962 . 1 1 A 80 80 THR HA H 80 3.721 3.962 -0.241 2
1 967 . 1 1 A 80 80 THR C C 80 176.623 176.158 0.465 2
1 968 . 1 1 A 80 80 THR CA C 80 66.823 65.866 0.957 2
1 969 . 1 1 A 80 80 THR CB C 80 68.508 68.477 0.031 2
1 971 . 1 1 A 80 80 THR N N 80 115.107 117.314 -2.207 2
1 972 . 1 1 A 81 81 SER H H 81 7.537 7.913 -0.376 2
1 973 . 1 1 A 81 81 SER HA H 81 4.165 4.263 -0.098 2
1 976 . 1 1 A 81 81 SER C C 81 176.196 176.161 0.035 2
1 977 . 1 1 A 81 81 SER CA C 81 61.371 61.056 0.315 2
1 978 . 1 1 A 81 81 SER CB C 81 62.826 63.277 -0.451 2
1 979 . 1 1 A 81 81 SER N N 81 116.178 116.684 -0.506 2
1 980 . 1 1 A 82 82 CYS H H 82 7.523 7.673 -0.150 2
1 981 . 1 1 A 82 82 CYS HA H 82 4.084 4.202 -0.118 2
1 984 . 1 1 A 82 82 CYS C C 82 176.363 176.556 -0.193 2
1 985 . 1 1 A 82 82 CYS CA C 82 62.173 62.072 0.102 2
1 986 . 1 1 A 82 82 CYS CB C 82 27.872 27.415 0.457 2
1 987 . 1 1 A 82 82 CYS N N 82 118.207 119.434 -1.227 2
1 988 . 1 1 A 83 83 LEU H H 83 7.652 7.782 -0.130 2
1 989 . 1 1 A 83 83 LEU HA H 83 4.216 4.157 0.058 2
1 999 . 1 1 A 83 83 LEU C C 83 177.349 177.053 0.296 2
1 1000 . 1 1 A 83 83 LEU CA C 83 55.521 56.726 -1.205 2
1 1001 . 1 1 A 83 83 LEU CB C 83 42.550 42.299 0.251 2
1 1005 . 1 1 A 83 83 LEU N N 83 118.141 119.415 -1.274 2
1 1006 . 1 1 A 84 84 ARG H H 84 7.754 7.743 0.011 2
1 1007 . 1 1 A 84 84 ARG HA H 84 4.153 4.385 -0.232 2
1 1014 . 1 1 A 84 84 ARG C C 84 176.300 175.791 0.509 2
1 1015 . 1 1 A 84 84 ARG CA C 84 56.829 55.895 0.934 2
1 1016 . 1 1 A 84 84 ARG CB C 84 29.926 30.898 -0.972 2
1 1019 . 1 1 A 84 84 ARG N N 84 118.881 118.715 0.166 2
1 1020 . 1 1 A 85 85 LYS H H 85 7.904 8.340 -0.436 2
1 1021 . 1 1 A 85 85 LYS HA H 85 4.178 4.358 -0.180 2
1 1030 . 1 1 A 85 85 LYS C C 85 176.549 175.648 0.901 2
1 1031 . 1 1 A 85 85 LYS CA C 85 56.514 56.394 0.120 2
1 1032 . 1 1 A 85 85 LYS CB C 85 32.931 32.660 0.271 2
1 1036 . 1 1 A 85 85 LYS N N 85 120.528 121.974 -1.446 2
1 1037 . 1 1 A 86 86 LYS H H 86 8.139 8.138 0.001 2
1 1038 . 1 1 A 86 86 LYS HA H 86 4.194 4.629 -0.435 2
1 1047 . 1 1 A 86 86 LYS C C 86 176.395 175.672 0.723 2
1 1048 . 1 1 A 86 86 LYS CA C 86 56.244 55.704 0.540 2
1 1049 . 1 1 A 86 86 LYS CB C 86 32.971 34.088 -1.117 2
1 1053 . 1 1 A 86 86 LYS N N 86 121.979 122.352 -0.373 2
1 1054 . 1 1 A 87 87 ARG H H 87 8.242 8.566 -0.324 2
1 1055 . 1 1 A 87 87 ARG HA H 87 4.223 4.624 -0.401 2
1 1062 . 1 1 A 87 87 ARG C C 87 175.989 175.224 0.765 2
1 1063 . 1 1 A 87 87 ARG CA C 87 55.953 55.579 0.374 2
1 1064 . 1 1 A 87 87 ARG CB C 87 31.019 32.089 -1.070 2
1 1067 . 1 1 A 87 87 ARG N N 87 122.606 123.465 -0.859 2
1 1068 . 1 1 A 88 88 LYS H H 88 8.318 8.520 -0.201 2
1 1069 . 1 1 A 88 88 LYS HA H 88 4.506 4.519 -0.013 2
1 1074 . 1 1 A 88 88 LYS C C 88 174.589 174.526 0.063 2
1 1075 . 1 1 A 88 88 LYS CA C 88 54.349 54.788 -0.439 2
1 1076 . 1 1 A 88 88 LYS CB C 88 32.576 32.536 0.040 2
1 1077 . 1 1 A 88 88 LYS N N 88 124.253 121.222 3.031 2
1 1078 . 1 1 A 89 89 PRO HA H 89 4.327 4.638 -0.311 2
1 1085 . 1 1 A 89 89 PRO C C 89 176.044 176.242 -0.197 2
1 1086 . 1 1 A 89 89 PRO CA C 89 63.489 62.730 0.760 2
1 1087 . 1 1 A 89 89 PRO CB C 89 31.921 32.489 -0.568 2
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