data_16329_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16329
_Entry.PDB_ID 3BCI
_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 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 22 . 1 1 1 A 12 12 LYS H H 15 8.030 8.204 -0.174 1
1 23 . 1 1 1 A 12 12 LYS C C 15 174.210 175.482 -1.272 1
1 24 . 1 1 1 A 12 12 LYS CA C 15 54.517 54.375 0.142 1
1 25 . 1 1 1 A 12 12 LYS CB C 15 33.133 33.253 -0.120 1
1 26 . 1 1 1 A 12 12 LYS N N 15 121.632 119.828 1.804 1
1 27 . 1 1 1 A 13 13 PRO HA H 16 4.684 4.419 0.265 1
1 30 . 1 1 1 A 13 13 PRO C C 16 173.687 175.159 -1.472 1
1 31 . 1 1 1 A 13 13 PRO CA C 16 63.093 63.368 -0.275 1
1 32 . 1 1 1 A 13 13 PRO CB C 16 32.546 32.293 0.253 1
1 33 . 1 1 1 A 14 14 LEU H H 17 8.206 8.391 -0.185 1
1 34 . 1 1 1 A 14 14 LEU HA H 17 4.989 4.925 0.064 1
1 41 . 1 1 1 A 14 14 LEU C C 17 175.752 174.796 0.956 1
1 42 . 1 1 1 A 14 14 LEU CA C 17 53.710 53.349 0.361 1
1 43 . 1 1 1 A 14 14 LEU CB C 17 44.601 44.772 -0.171 1
1 47 . 1 1 1 A 14 14 LEU N N 17 123.403 124.186 -0.783 1
1 48 . 1 1 1 A 15 15 VAL H H 18 9.202 8.907 0.295 1
1 49 . 1 1 1 A 15 15 VAL HA H 18 4.900 4.736 0.164 1
1 57 . 1 1 1 A 15 15 VAL C C 18 173.778 175.113 -1.335 1
1 58 . 1 1 1 A 15 15 VAL CA C 18 61.166 61.727 -0.561 1
1 59 . 1 1 1 A 15 15 VAL CB C 18 33.087 33.360 -0.273 1
1 62 . 1 1 1 A 15 15 VAL N N 18 129.347 128.558 0.789 1
1 63 . 1 1 1 A 16 16 VAL H H 19 9.192 8.834 0.358 1
1 64 . 1 1 1 A 16 16 VAL HA H 19 5.119 4.888 0.231 1
1 72 . 1 1 1 A 16 16 VAL C C 19 175.302 174.845 0.457 1
1 73 . 1 1 1 A 16 16 VAL CA C 19 60.241 60.679 -0.438 1
1 74 . 1 1 1 A 16 16 VAL CB C 19 34.500 34.073 0.427 1
1 77 . 1 1 1 A 16 16 VAL N N 19 127.361 128.222 -0.861 1
1 78 . 1 1 1 A 17 17 VAL H H 20 8.562 8.974 -0.412 1
1 79 . 1 1 1 A 17 17 VAL HA H 20 4.773 4.761 0.012 1
1 87 . 1 1 1 A 17 17 VAL C C 20 173.850 174.774 -0.924 1
1 88 . 1 1 1 A 17 17 VAL CA C 20 61.463 60.891 0.572 1
1 89 . 1 1 1 A 17 17 VAL CB C 20 35.331 34.303 1.028 1
1 92 . 1 1 1 A 17 17 VAL N N 20 126.104 126.958 -0.854 1
1 93 . 1 1 1 A 18 18 TYR H H 21 9.115 8.898 0.217 1
1 94 . 1 1 1 A 18 18 TYR HA H 21 5.139 5.307 -0.168 1
1 97 . 1 1 1 A 18 18 TYR C C 21 177.289 176.323 0.966 1
1 98 . 1 1 1 A 18 18 TYR CA C 21 56.065 55.953 0.112 1
1 99 . 1 1 1 A 18 18 TYR CB C 21 39.703 40.683 -0.980 1
1 100 . 1 1 1 A 18 18 TYR N N 21 124.796 126.840 -2.044 1
1 101 . 1 1 1 A 19 19 GLY H H 22 8.393 8.337 0.056 1
1 102 . 1 1 1 A 19 19 GLY HA2 H 22 4.420 4.317 0.103 1
1 103 . 1 1 1 A 19 19 GLY HA3 H 22 4.346 4.317 0.029 1
1 104 . 1 1 1 A 19 19 GLY C C 22 169.974 171.555 -1.581 1
1 105 . 1 1 1 A 19 19 GLY CA C 22 46.839 46.205 0.634 1
1 106 . 1 1 1 A 19 19 GLY N N 22 107.914 110.506 -2.592 1
1 107 . 1 1 1 A 20 20 ASP H H 23 7.174 8.937 -1.763 1
1 108 . 1 1 1 A 20 20 ASP HA H 23 4.866 5.173 -0.307 1
1 111 . 1 1 1 A 20 20 ASP C C 23 178.557 175.838 2.719 1
1 112 . 1 1 1 A 20 20 ASP CA C 23 55.104 53.924 1.180 1
1 113 . 1 1 1 A 20 20 ASP CB C 23 45.792 44.371 1.421 1
1 114 . 1 1 1 A 20 20 ASP N N 23 118.998 121.958 -2.960 1
1 115 . 1 1 1 A 21 21 TYR H H 24 7.849 9.264 -1.415 1
1 116 . 1 1 1 A 21 21 TYR HA H 24 4.468 4.296 0.172 1
1 119 . 1 1 1 A 21 21 TYR C C 24 176.006 177.345 -1.339 1
1 120 . 1 1 1 A 21 21 TYR CA C 24 62.838 60.965 1.873 1
1 121 . 1 1 1 A 21 21 TYR CB C 24 37.662 37.834 -0.172 1
1 122 . 1 1 1 A 21 21 TYR N N 24 127.197 125.220 1.977 1
1 123 . 1 1 1 A 22 22 LYS H H 25 9.779 7.596 2.183 1
1 124 . 1 1 1 A 22 22 LYS HA H 25 4.938 4.314 0.624 1
1 127 . 1 1 1 A 22 22 LYS C C 25 176.709 176.778 -0.069 1
1 128 . 1 1 1 A 22 22 LYS CA C 25 57.053 56.373 0.680 1
1 129 . 1 1 1 A 22 22 LYS CB C 25 32.201 32.931 -0.730 1
1 130 . 1 1 1 A 22 22 LYS N N 25 116.190 116.492 -0.302 1
1 131 . 1 1 1 A 23 23 CYS H H 26 7.553 7.746 -0.193 1
1 132 . 1 1 1 A 23 23 CYS HA H 26 4.848 4.670 0.178 1
1 135 . 1 1 1 A 23 23 CYS C C 26 174.972 174.563 0.409 1
1 136 . 1 1 1 A 23 23 CYS CA C 26 52.998 56.918 -3.920 1
1 137 . 1 1 1 A 23 23 CYS CB C 26 46.012 29.265 16.747 1
1 138 . 1 1 1 A 23 23 CYS N N 26 120.749 121.975 -1.226 1
1 139 . 1 1 1 A 24 24 PRO HA H 27 5.352 4.428 0.924 1
1 144 . 1 1 1 A 24 24 PRO C C 27 181.072 178.711 2.361 1
1 145 . 1 1 1 A 24 24 PRO CA C 27 66.067 65.421 0.646 1
1 146 . 1 1 1 A 24 24 PRO CB C 27 32.590 31.745 0.845 1
1 148 . 1 1 1 A 25 25 TYR H H 28 9.030 7.581 1.449 1
1 149 . 1 1 1 A 25 25 TYR HA H 28 4.588 4.218 0.370 1
1 150 . 1 1 1 A 25 25 TYR C C 28 177.345 178.439 -1.094 1
1 151 . 1 1 1 A 25 25 TYR CA C 28 60.600 60.987 -0.387 1
1 152 . 1 1 1 A 25 25 TYR CB C 28 36.339 37.373 -1.034 1
1 153 . 1 1 1 A 25 25 TYR N N 28 118.697 117.174 1.523 1
1 154 . 1 1 1 A 26 26 CYS H H 29 8.953 8.248 0.705 1
1 155 . 1 1 1 A 26 26 CYS HA H 29 4.523 4.170 0.353 1
1 157 . 1 1 1 A 26 26 CYS C C 29 175.796 176.977 -1.181 1
1 158 . 1 1 1 A 26 26 CYS CA C 29 63.232 63.447 -0.215 1
1 159 . 1 1 1 A 26 26 CYS CB C 29 34.862 27.142 7.720 1
1 160 . 1 1 1 A 26 26 CYS N N 29 119.883 118.882 1.001 1
1 161 . 1 1 1 A 27 27 LYS H H 30 7.365 7.951 -0.586 1
1 162 . 1 1 1 A 27 27 LYS HA H 30 3.102 3.951 -0.849 1
1 169 . 1 1 1 A 27 27 LYS C C 30 176.962 178.590 -1.628 1
1 170 . 1 1 1 A 27 27 LYS CA C 30 59.303 59.219 0.084 1
1 171 . 1 1 1 A 27 27 LYS CB C 30 32.506 32.132 0.374 1
1 175 . 1 1 1 A 27 27 LYS N N 30 123.859 121.992 1.867 1
1 176 . 1 1 1 A 28 28 GLU H H 31 7.221 8.114 -0.893 1
1 177 . 1 1 1 A 28 28 GLU HA H 31 4.110 4.062 0.048 1
1 181 . 1 1 1 A 28 28 GLU C C 31 178.138 179.164 -1.026 1
1 182 . 1 1 1 A 28 28 GLU CA C 31 59.893 58.959 0.934 1
1 183 . 1 1 1 A 28 28 GLU CB C 31 29.250 29.683 -0.433 1
1 185 . 1 1 1 A 28 28 GLU N N 31 118.736 119.753 -1.017 1
1 186 . 1 1 1 A 29 29 LEU H H 32 7.708 8.167 -0.459 1
1 187 . 1 1 1 A 29 29 LEU HA H 32 3.968 4.096 -0.128 1
1 197 . 1 1 1 A 29 29 LEU C C 32 179.190 177.950 1.240 1
1 198 . 1 1 1 A 29 29 LEU CA C 32 61.341 57.908 3.433 1
1 199 . 1 1 1 A 29 29 LEU CB C 32 42.558 41.486 1.072 1
1 202 . 1 1 1 A 29 29 LEU N N 32 120.235 121.876 -1.641 1
1 203 . 1 1 1 A 30 30 ASP H H 33 7.366 8.186 -0.820 1
1 204 . 1 1 1 A 30 30 ASP HA H 33 3.942 4.210 -0.268 1
1 207 . 1 1 1 A 30 30 ASP C C 33 178.480 178.225 0.255 1
1 208 . 1 1 1 A 30 30 ASP CA C 33 59.235 57.754 1.481 1
1 209 . 1 1 1 A 30 30 ASP CB C 33 44.233 41.849 2.384 1
1 210 . 1 1 1 A 30 30 ASP N N 33 121.128 118.675 2.453 1
1 211 . 1 1 1 A 31 31 GLU H H 34 8.292 8.199 0.093 1
1 212 . 1 1 1 A 31 31 GLU HA H 34 3.910 4.098 -0.188 1
1 217 . 1 1 1 A 31 31 GLU C C 34 178.635 179.209 -0.574 1
1 218 . 1 1 1 A 31 31 GLU CA C 34 59.388 59.105 0.283 1
1 219 . 1 1 1 A 31 31 GLU CB C 34 30.797 29.332 1.465 1
1 221 . 1 1 1 A 31 31 GLU N N 34 115.851 118.055 -2.204 1
1 222 . 1 1 1 A 32 32 LYS H H 35 8.379 7.947 0.432 1
1 223 . 1 1 1 A 32 32 LYS HA H 35 4.290 4.167 0.123 1
1 231 . 1 1 1 A 32 32 LYS C C 35 178.880 178.280 0.600 1
1 232 . 1 1 1 A 32 32 LYS CA C 35 58.816 58.594 0.222 1
1 233 . 1 1 1 A 32 32 LYS CB C 35 34.896 33.061 1.835 1
1 237 . 1 1 1 A 32 32 LYS N N 35 115.076 118.567 -3.491 1
1 238 . 1 1 1 A 33 33 VAL H H 36 8.622 7.600 1.022 1
1 239 . 1 1 1 A 33 33 VAL HA H 36 4.043 3.883 0.160 1
1 247 . 1 1 1 A 33 33 VAL C C 36 176.506 177.918 -1.412 1
1 248 . 1 1 1 A 33 33 VAL CA C 36 64.847 64.873 -0.026 1
1 249 . 1 1 1 A 33 33 VAL CB C 36 34.128 31.875 2.253 1
1 252 . 1 1 1 A 33 33 VAL N N 36 118.082 119.377 -1.295 1
1 253 . 1 1 1 A 34 34 MET H H 37 7.025 8.255 -1.230 1
1 254 . 1 1 1 A 34 34 MET HA H 37 4.515 4.132 0.383 1
1 262 . 1 1 1 A 34 34 MET C C 37 175.195 176.313 -1.118 1
1 263 . 1 1 1 A 34 34 MET CA C 37 57.901 59.014 -1.113 1
1 264 . 1 1 1 A 34 34 MET CB C 37 27.983 30.892 -2.909 1
1 267 . 1 1 1 A 34 34 MET N N 37 116.417 117.627 -1.210 1
1 268 . 1 1 1 A 35 35 PRO HA H 38 4.122 4.232 -0.110 1
1 272 . 1 1 1 A 35 35 PRO C C 38 180.245 179.457 0.788 1
1 273 . 1 1 1 A 35 35 PRO CA C 38 67.185 66.211 0.974 1
1 274 . 1 1 1 A 35 35 PRO CB C 38 31.199 30.584 0.615 1
1 275 . 1 1 1 A 36 36 LYS H H 39 7.236 8.311 -1.075 1
1 276 . 1 1 1 A 36 36 LYS HA H 39 3.826 4.006 -0.180 1
1 282 . 1 1 1 A 36 36 LYS C C 39 178.470 178.924 -0.454 1
1 283 . 1 1 1 A 36 36 LYS CA C 39 59.299 58.784 0.515 1
1 284 . 1 1 1 A 36 36 LYS CB C 39 32.409 31.323 1.086 1
1 288 . 1 1 1 A 36 36 LYS N N 39 115.917 117.858 -1.941 1
1 289 . 1 1 1 A 37 37 LEU H H 40 8.189 8.175 0.014 1
1 290 . 1 1 1 A 37 37 LEU HA H 40 4.346 4.058 0.288 1
1 300 . 1 1 1 A 37 37 LEU C C 40 180.553 178.437 2.116 1
1 301 . 1 1 1 A 37 37 LEU CA C 40 58.728 57.827 0.901 1
1 302 . 1 1 1 A 37 37 LEU CB C 40 43.124 41.625 1.499 1
1 306 . 1 1 1 A 37 37 LEU N N 40 121.481 121.160 0.321 1
1 307 . 1 1 1 A 38 38 ARG H H 41 9.552 7.872 1.680 1
1 308 . 1 1 1 A 38 38 ARG HA H 41 3.920 3.913 0.007 1
1 314 . 1 1 1 A 38 38 ARG C C 41 177.333 178.676 -1.343 1
1 315 . 1 1 1 A 38 38 ARG CA C 41 60.559 59.764 0.795 1
1 316 . 1 1 1 A 38 38 ARG CB C 41 30.225 29.729 0.496 1
1 319 . 1 1 1 A 38 38 ARG N N 41 119.091 118.724 0.367 1
1 320 . 1 1 1 A 39 39 LYS H H 42 7.175 7.963 -0.788 1
1 321 . 1 1 1 A 39 39 LYS HA H 42 4.038 4.048 -0.010 1
1 328 . 1 1 1 A 39 39 LYS C C 42 177.468 178.714 -1.246 1
1 329 . 1 1 1 A 39 39 LYS CA C 42 58.827 59.351 -0.524 1
1 330 . 1 1 1 A 39 39 LYS CB C 42 32.964 32.242 0.722 1
1 334 . 1 1 1 A 39 39 LYS N N 42 116.804 119.236 -2.432 1
1 335 . 1 1 1 A 40 40 ASN H H 43 7.840 8.106 -0.266 1
1 336 . 1 1 1 A 40 40 ASN HA H 43 4.449 4.652 -0.203 1
1 339 . 1 1 1 A 40 40 ASN C C 43 175.978 175.481 0.497 1
1 340 . 1 1 1 A 40 40 ASN CA C 43 55.084 54.250 0.834 1
1 341 . 1 1 1 A 40 40 ASN CB C 43 40.605 39.061 1.544 1
1 342 . 1 1 1 A 40 40 ASN N N 43 111.293 115.846 -4.553 1
1 343 . 1 1 1 A 41 41 TYR H H 44 7.945 7.793 0.152 1
1 344 . 1 1 1 A 41 41 TYR HA H 44 5.147 4.736 0.411 1
1 347 . 1 1 1 A 41 41 TYR C C 44 175.226 176.521 -1.295 1
1 348 . 1 1 1 A 41 41 TYR CA C 44 61.077 58.807 2.270 1
1 349 . 1 1 1 A 41 41 TYR CB C 44 42.100 40.404 1.696 1
1 350 . 1 1 1 A 41 41 TYR N N 44 115.379 116.868 -1.489 1
1 351 . 1 1 1 A 42 42 ILE H H 45 8.011 7.934 0.077 1
1 352 . 1 1 1 A 42 42 ILE HA H 45 4.318 3.894 0.424 1
1 362 . 1 1 1 A 42 42 ILE C C 45 179.972 178.062 1.910 1
1 363 . 1 1 1 A 42 42 ILE CA C 45 64.837 63.538 1.299 1
1 364 . 1 1 1 A 42 42 ILE CB C 45 39.800 38.016 1.784 1
1 368 . 1 1 1 A 42 42 ILE N N 45 117.813 120.871 -3.058 1
1 369 . 1 1 1 A 43 43 ASP H H 46 9.401 8.390 1.011 1
1 370 . 1 1 1 A 43 43 ASP HA H 46 4.388 4.338 0.050 1
1 372 . 1 1 1 A 43 43 ASP C C 46 176.373 177.371 -0.998 1
1 373 . 1 1 1 A 43 43 ASP CA C 46 57.221 57.124 0.097 1
1 374 . 1 1 1 A 43 43 ASP CB C 46 39.936 40.275 -0.339 1
1 375 . 1 1 1 A 43 43 ASP N N 46 122.858 119.305 3.553 1
1 376 . 1 1 1 A 44 44 ASN H H 47 7.622 7.971 -0.349 1
1 377 . 1 1 1 A 44 44 ASN HA H 47 4.564 4.612 -0.048 1
1 380 . 1 1 1 A 44 44 ASN C C 47 175.348 174.678 0.670 1
1 381 . 1 1 1 A 44 44 ASN CA C 47 51.920 51.941 -0.021 1
1 382 . 1 1 1 A 44 44 ASN CB C 47 36.945 37.225 -0.280 1
1 383 . 1 1 1 A 44 44 ASN N N 47 112.790 113.700 -0.910 1
1 384 . 1 1 1 A 45 45 HIS H H 48 7.835 8.199 -0.364 1
1 385 . 1 1 1 A 45 45 HIS HA H 48 4.438 4.214 0.224 1
1 387 . 1 1 1 A 45 45 HIS C C 48 174.778 174.924 -0.146 1
1 388 . 1 1 1 A 45 45 HIS CA C 48 57.063 56.893 0.170 1
1 389 . 1 1 1 A 45 45 HIS CB C 48 27.295 26.812 0.483 1
1 390 . 1 1 1 A 45 45 HIS N N 48 111.460 113.887 -2.427 1
1 391 . 1 1 1 A 46 46 LYS H H 49 8.055 8.112 -0.057 1
1 392 . 1 1 1 A 46 46 LYS HA H 49 4.419 4.130 0.289 1
1 398 . 1 1 1 A 46 46 LYS C C 49 176.892 176.664 0.228 1
1 399 . 1 1 1 A 46 46 LYS CA C 49 58.975 57.655 1.320 1
1 400 . 1 1 1 A 46 46 LYS CB C 49 34.524 33.143 1.381 1
1 404 . 1 1 1 A 46 46 LYS N N 49 117.152 117.858 -0.706 1
1 405 . 1 1 1 A 47 47 VAL H H 50 7.667 7.352 0.315 1
1 406 . 1 1 1 A 47 47 VAL HA H 50 4.790 4.871 -0.081 1
1 414 . 1 1 1 A 47 47 VAL C C 50 174.447 174.338 0.109 1
1 415 . 1 1 1 A 47 47 VAL CA C 50 58.194 58.646 -0.452 1
1 416 . 1 1 1 A 47 47 VAL CB C 50 35.244 35.594 -0.350 1
1 419 . 1 1 1 A 47 47 VAL N N 50 107.915 112.933 -5.018 1
1 420 . 1 1 1 A 48 48 GLU H H 51 8.876 8.571 0.305 1
1 421 . 1 1 1 A 48 48 GLU HA H 51 4.713 4.925 -0.212 1
1 426 . 1 1 1 A 48 48 GLU C C 51 174.007 174.534 -0.527 1
1 427 . 1 1 1 A 48 48 GLU CA C 51 55.293 55.036 0.257 1
1 428 . 1 1 1 A 48 48 GLU CB C 51 32.104 31.702 0.402 1
1 430 . 1 1 1 A 48 48 GLU N N 51 121.671 120.818 0.853 1
1 431 . 1 1 1 A 49 49 TYR H H 52 8.696 8.717 -0.021 1
1 432 . 1 1 1 A 49 49 TYR HA H 52 5.772 5.306 0.466 1
1 436 . 1 1 1 A 49 49 TYR C C 52 173.972 174.240 -0.268 1
1 437 . 1 1 1 A 49 49 TYR CA C 52 55.337 56.634 -1.297 1
1 438 . 1 1 1 A 49 49 TYR CB C 52 42.605 42.183 0.422 1
1 439 . 1 1 1 A 49 49 TYR N N 52 125.089 125.448 -0.359 1
1 440 . 1 1 1 A 50 50 GLN H H 53 8.836 8.793 0.043 1
1 441 . 1 1 1 A 50 50 GLN HA H 53 4.240 4.969 -0.729 1
1 446 . 1 1 1 A 50 50 GLN C C 53 171.478 173.066 -1.588 1
1 447 . 1 1 1 A 50 50 GLN CA C 53 54.212 54.329 -0.117 1
1 448 . 1 1 1 A 50 50 GLN CB C 53 32.631 32.351 0.280 1
1 450 . 1 1 1 A 50 50 GLN N N 53 130.663 126.890 3.773 1
1 451 . 1 1 1 A 51 51 PHE H H 54 8.360 8.848 -0.488 1
1 452 . 1 1 1 A 51 51 PHE HA H 54 5.377 5.324 0.053 1
1 456 . 1 1 1 A 51 51 PHE C C 54 175.238 173.509 1.729 1
1 457 . 1 1 1 A 51 51 PHE CA C 54 54.944 56.159 -1.215 1
1 458 . 1 1 1 A 51 51 PHE CB C 54 40.727 41.343 -0.616 1
1 459 . 1 1 1 A 51 51 PHE N N 54 126.291 127.680 -1.389 1
1 460 . 1 1 1 A 52 52 VAL H H 55 8.748 9.166 -0.418 1
1 461 . 1 1 1 A 52 52 VAL HA H 55 3.824 4.604 -0.780 1
1 469 . 1 1 1 A 52 52 VAL C C 55 172.580 173.774 -1.194 1
1 470 . 1 1 1 A 52 52 VAL CA C 55 61.264 61.163 0.101 1
1 471 . 1 1 1 A 52 52 VAL CB C 55 32.646 32.523 0.123 1
1 474 . 1 1 1 A 52 52 VAL N N 55 132.361 127.202 5.159 1
1 475 . 1 1 1 A 53 53 ASN H H 56 9.035 8.850 0.185 1
1 476 . 1 1 1 A 53 53 ASN HA H 56 4.739 4.865 -0.126 1
1 480 . 1 1 1 A 53 53 ASN C C 56 175.730 176.145 -0.415 1
1 481 . 1 1 1 A 53 53 ASN CA C 56 50.575 52.127 -1.552 1
1 482 . 1 1 1 A 53 53 ASN CB C 56 40.033 38.510 1.523 1
1 483 . 1 1 1 A 53 53 ASN N N 56 127.299 126.579 0.720 1
1 485 . 1 1 1 A 54 54 LEU H H 57 8.704 8.719 -0.015 1
1 486 . 1 1 1 A 54 54 LEU HA H 57 3.721 4.109 -0.388 1
1 496 . 1 1 1 A 54 54 LEU C C 57 177.107 176.394 0.713 1
1 497 . 1 1 1 A 54 54 LEU CA C 57 59.804 56.488 3.316 1
1 498 . 1 1 1 A 54 54 LEU CB C 57 44.479 41.994 2.485 1
1 501 . 1 1 1 A 54 54 LEU N N 57 127.208 126.492 0.716 1
1 502 . 1 1 1 A 55 55 ALA H H 58 9.084 7.936 1.148 1
1 503 . 1 1 1 A 55 55 ALA HA H 58 4.178 4.020 0.158 1
1 507 . 1 1 1 A 55 55 ALA C C 58 176.891 177.360 -0.469 1
1 508 . 1 1 1 A 55 55 ALA CA C 58 52.862 53.078 -0.216 1
1 509 . 1 1 1 A 55 55 ALA CB C 58 17.556 17.189 0.367 1
1 510 . 1 1 1 A 55 55 ALA N N 58 119.827 121.115 -1.288 1
1 511 . 1 1 1 A 56 56 PHE H H 59 8.605 8.286 0.319 1
1 512 . 1 1 1 A 56 56 PHE HA H 59 5.219 4.633 0.586 1
1 518 . 1 1 1 A 56 56 PHE C C 59 176.442 176.085 0.357 1
1 519 . 1 1 1 A 56 56 PHE CA C 59 56.354 57.034 -0.680 1
1 520 . 1 1 1 A 56 56 PHE CB C 59 41.105 40.223 0.882 1
1 521 . 1 1 1 A 56 56 PHE N N 59 116.136 113.656 2.480 1
1 522 . 1 1 1 A 57 57 LEU H H 60 7.595 7.831 -0.236 1
1 523 . 1 1 1 A 57 57 LEU HA H 60 4.216 4.475 -0.259 1
1 533 . 1 1 1 A 57 57 LEU C C 60 175.790 175.733 0.057 1
1 534 . 1 1 1 A 57 57 LEU CA C 60 55.128 54.044 1.084 1
1 535 . 1 1 1 A 57 57 LEU CB C 60 41.514 41.802 -0.288 1
1 539 . 1 1 1 A 57 57 LEU N N 60 125.753 118.777 6.976 1
1 540 . 1 1 1 A 58 58 GLY H H 61 7.503 7.319 0.184 1
1 541 . 1 1 1 A 58 58 GLY HA2 H 61 4.307 4.117 0.190 1
1 542 . 1 1 1 A 58 58 GLY HA3 H 61 4.056 4.117 -0.061 1
1 543 . 1 1 1 A 58 58 GLY C C 61 175.749 174.448 1.301 1
1 544 . 1 1 1 A 58 58 GLY CA C 61 44.211 44.521 -0.310 1
1 545 . 1 1 1 A 58 58 GLY N N 61 105.922 107.406 -1.484 1
1 546 . 1 1 1 A 59 59 LYS HA H 62 4.087 4.096 -0.009 1
1 551 . 1 1 1 A 59 59 LYS C C 62 176.638 176.890 -0.252 1
1 552 . 1 1 1 A 59 59 LYS CA C 62 59.222 58.568 0.654 1
1 553 . 1 1 1 A 59 59 LYS CB C 62 32.449 31.971 0.478 1
1 557 . 1 1 1 A 60 60 ASP H H 63 10.084 8.234 1.850 1
1 558 . 1 1 1 A 60 60 ASP HA H 63 4.298 4.430 -0.132 1
1 561 . 1 1 1 A 60 60 ASP C C 63 177.740 178.326 -0.586 1
1 562 . 1 1 1 A 60 60 ASP CA C 63 54.318 55.120 -0.802 1
1 563 . 1 1 1 A 60 60 ASP CB C 63 38.753 40.427 -1.674 1
1 564 . 1 1 1 A 60 60 ASP N N 63 114.729 120.265 -5.536 1
1 565 . 1 1 1 A 61 61 SER H H 64 7.352 8.183 -0.831 1
1 566 . 1 1 1 A 61 61 SER HA H 64 3.846 4.071 -0.225 1
1 569 . 1 1 1 A 61 61 SER C C 64 178.103 175.823 2.280 1
1 570 . 1 1 1 A 61 61 SER CA C 64 63.772 62.364 1.408 1
1 571 . 1 1 1 A 61 61 SER CB C 64 62.417 63.104 -0.687 1
1 572 . 1 1 1 A 61 61 SER N N 64 117.760 117.520 0.240 1
1 573 . 1 1 1 A 62 62 ILE H H 65 7.830 8.035 -0.205 1
1 574 . 1 1 1 A 62 62 ILE HA H 65 4.031 3.813 0.218 1
1 584 . 1 1 1 A 62 62 ILE C C 65 175.054 178.041 -2.987 1
1 585 . 1 1 1 A 62 62 ILE CA C 65 60.987 63.637 -2.650 1
1 586 . 1 1 1 A 62 62 ILE CB C 65 38.516 37.565 0.951 1
1 590 . 1 1 1 A 62 62 ILE N N 65 118.957 121.198 -2.241 1
1 591 . 1 1 1 A 63 63 VAL H H 66 6.913 8.174 -1.261 1
1 592 . 1 1 1 A 63 63 VAL HA H 66 3.529 3.680 -0.151 1
1 597 . 1 1 1 A 63 63 VAL C C 66 178.325 177.982 0.343 1
1 598 . 1 1 1 A 63 63 VAL CA C 66 66.898 66.201 0.697 1
1 599 . 1 1 1 A 63 63 VAL CB C 66 30.931 31.534 -0.603 1
1 602 . 1 1 1 A 63 63 VAL N N 66 125.564 121.357 4.207 1
1 603 . 1 1 1 A 64 64 GLY H H 67 7.311 8.267 -0.956 1
1 604 . 1 1 1 A 64 64 GLY HA2 H 67 3.692 3.795 -0.103 1
1 605 . 1 1 1 A 64 64 GLY HA3 H 67 3.428 3.795 -0.367 1
1 606 . 1 1 1 A 64 64 GLY C C 67 174.370 176.134 -1.764 1
1 607 . 1 1 1 A 64 64 GLY CA C 67 47.673 47.409 0.264 1
1 608 . 1 1 1 A 64 64 GLY N N 67 101.355 107.923 -6.568 1
1 609 . 1 1 1 A 65 65 SER H H 68 7.819 8.184 -0.365 1
1 610 . 1 1 1 A 65 65 SER HA H 68 4.645 4.154 0.491 1
1 612 . 1 1 1 A 65 65 SER C C 68 177.651 177.438 0.213 1
1 613 . 1 1 1 A 65 65 SER CA C 68 59.767 61.435 -1.668 1
1 614 . 1 1 1 A 65 65 SER CB C 68 64.467 62.922 1.545 1
1 615 . 1 1 1 A 65 65 SER N N 68 113.236 116.972 -3.736 1
1 616 . 1 1 1 A 66 66 ARG H H 69 8.526 7.960 0.566 1
1 617 . 1 1 1 A 66 66 ARG HA H 69 3.851 4.031 -0.180 1
1 623 . 1 1 1 A 66 66 ARG C C 69 177.976 178.743 -0.767 1
1 624 . 1 1 1 A 66 66 ARG CA C 69 60.509 59.597 0.912 1
1 625 . 1 1 1 A 66 66 ARG CB C 69 31.863 30.349 1.514 1
1 628 . 1 1 1 A 66 66 ARG N N 69 118.679 121.891 -3.212 1
1 629 . 1 1 1 A 67 67 ALA H H 70 7.823 7.956 -0.133 1
1 630 . 1 1 1 A 67 67 ALA HA H 70 3.521 4.089 -0.568 1
1 634 . 1 1 1 A 67 67 ALA C C 70 177.880 179.994 -2.114 1
1 635 . 1 1 1 A 67 67 ALA CA C 70 55.941 54.852 1.089 1
1 636 . 1 1 1 A 67 67 ALA CB C 70 18.200 17.386 0.814 1
1 637 . 1 1 1 A 67 67 ALA N N 70 120.015 122.283 -2.268 1
1 638 . 1 1 1 A 68 68 SER H H 71 7.924 7.987 -0.063 1
1 639 . 1 1 1 A 68 68 SER HA H 71 4.039 4.162 -0.123 1
1 641 . 1 1 1 A 68 68 SER C C 71 176.697 177.751 -1.054 1
1 642 . 1 1 1 A 68 68 SER CA C 71 61.296 61.600 -0.304 1
1 643 . 1 1 1 A 68 68 SER CB C 71 63.833 63.322 0.511 1
1 644 . 1 1 1 A 68 68 SER N N 71 109.625 113.488 -3.863 1
1 645 . 1 1 1 A 69 69 HIS H H 72 8.869 7.939 0.930 1
1 646 . 1 1 1 A 69 69 HIS HA H 72 4.244 4.386 -0.142 1
1 650 . 1 1 1 A 69 69 HIS C C 72 178.019 177.633 0.386 1
1 651 . 1 1 1 A 69 69 HIS CA C 72 61.611 59.089 2.522 1
1 652 . 1 1 1 A 69 69 HIS CB C 72 31.669 29.195 2.474 1
1 653 . 1 1 1 A 69 69 HIS N N 72 117.919 119.282 -1.363 1
1 654 . 1 1 1 A 70 70 ALA H H 73 8.601 8.272 0.329 1
1 655 . 1 1 1 A 70 70 ALA HA H 73 4.257 3.907 0.350 1
1 659 . 1 1 1 A 70 70 ALA C C 73 178.923 179.877 -0.954 1
1 660 . 1 1 1 A 70 70 ALA CA C 73 55.998 55.118 0.880 1
1 661 . 1 1 1 A 70 70 ALA CB C 73 19.548 18.414 1.134 1
1 662 . 1 1 1 A 70 70 ALA N N 73 123.968 122.330 1.638 1
1 663 . 1 1 1 A 71 71 VAL H H 74 8.133 8.018 0.115 1
1 664 . 1 1 1 A 71 71 VAL HA H 74 3.325 3.530 -0.205 1
1 672 . 1 1 1 A 71 71 VAL C C 74 177.088 177.862 -0.774 1
1 673 . 1 1 1 A 71 71 VAL CA C 74 67.379 67.564 -0.185 1
1 674 . 1 1 1 A 71 71 VAL CB C 74 31.488 31.133 0.355 1
1 677 . 1 1 1 A 71 71 VAL N N 74 119.722 118.512 1.210 1
1 678 . 1 1 1 A 72 72 LEU H H 75 8.136 8.203 -0.067 1
1 679 . 1 1 1 A 72 72 LEU HA H 75 3.672 3.925 -0.253 1
1 689 . 1 1 1 A 72 72 LEU C C 75 177.734 178.364 -0.630 1
1 690 . 1 1 1 A 72 72 LEU CA C 75 58.434 58.011 0.423 1
1 691 . 1 1 1 A 72 72 LEU CB C 75 41.318 40.839 0.479 1
1 694 . 1 1 1 A 72 72 LEU N N 75 118.528 119.766 -1.238 1
1 695 . 1 1 1 A 73 73 MET H H 76 7.872 8.291 -0.419 1
1 696 . 1 1 1 A 73 73 MET HA H 76 3.952 4.221 -0.269 1
1 704 . 1 1 1 A 73 73 MET C C 76 178.118 176.792 1.326 1
1 705 . 1 1 1 A 73 73 MET CA C 76 58.409 57.639 0.770 1
1 706 . 1 1 1 A 73 73 MET CB C 76 33.210 32.143 1.067 1
1 709 . 1 1 1 A 73 73 MET N N 76 112.992 116.288 -3.296 1
1 710 . 1 1 1 A 74 74 TYR H H 77 7.727 7.701 0.026 1
1 711 . 1 1 1 A 74 74 TYR HA H 77 4.857 4.599 0.258 1
1 716 . 1 1 1 A 74 74 TYR C C 77 175.564 176.384 -0.820 1
1 717 . 1 1 1 A 74 74 TYR CA C 77 58.603 58.787 -0.184 1
1 718 . 1 1 1 A 74 74 TYR CB C 77 39.098 40.534 -1.436 1
1 719 . 1 1 1 A 74 74 TYR N N 77 114.989 118.679 -3.690 1
1 720 . 1 1 1 A 75 75 ALA H H 78 9.155 7.861 1.294 1
1 721 . 1 1 1 A 75 75 ALA HA H 78 4.974 4.830 0.144 1
1 725 . 1 1 1 A 75 75 ALA CA C 78 50.824 49.977 0.847 1
1 726 . 1 1 1 A 75 75 ALA CB C 78 20.141 19.178 0.963 1
1 727 . 1 1 1 A 75 75 ALA N N 78 124.641 121.873 2.768 1
1 728 . 1 1 1 A 76 76 PRO HA H 79 4.388 4.335 0.053 1
1 735 . 1 1 1 A 76 76 PRO C C 79 180.492 178.439 2.053 1
1 736 . 1 1 1 A 76 76 PRO CA C 79 65.938 65.311 0.627 1
1 737 . 1 1 1 A 76 76 PRO CB C 79 31.146 31.965 -0.819 1
1 740 . 1 1 1 A 77 77 LYS H H 80 8.712 8.540 0.172 1
1 741 . 1 1 1 A 77 77 LYS HA H 80 4.339 4.135 0.204 1
1 746 . 1 1 1 A 77 77 LYS C C 80 178.352 177.462 0.890 1
1 747 . 1 1 1 A 77 77 LYS CA C 80 59.081 58.566 0.515 1
1 748 . 1 1 1 A 77 77 LYS CB C 80 31.729 32.068 -0.339 1
1 751 . 1 1 1 A 77 77 LYS N N 80 117.143 117.727 -0.584 1
1 752 . 1 1 1 A 78 78 SER H H 81 8.434 7.847 0.587 1
1 753 . 1 1 1 A 78 78 SER HA H 81 4.667 4.624 0.043 1
1 755 . 1 1 1 A 78 78 SER C C 81 174.307 175.006 -0.699 1
1 756 . 1 1 1 A 78 78 SER CA C 81 59.893 58.715 1.178 1
1 757 . 1 1 1 A 78 78 SER CB C 81 64.803 64.292 0.511 1
1 758 . 1 1 1 A 78 78 SER N N 81 115.283 113.691 1.592 1
1 759 . 1 1 1 A 79 79 PHE H H 82 7.595 7.871 -0.276 1
1 760 . 1 1 1 A 79 79 PHE HA H 82 4.170 4.129 0.041 1
1 765 . 1 1 1 A 79 79 PHE C C 82 175.986 177.127 -1.141 1
1 766 . 1 1 1 A 79 79 PHE CA C 82 62.317 61.765 0.552 1
1 767 . 1 1 1 A 79 79 PHE CB C 82 40.569 39.400 1.169 1
1 768 . 1 1 1 A 79 79 PHE N N 82 121.139 123.045 -1.906 1
1 769 . 1 1 1 A 80 80 LEU H H 83 8.619 8.548 0.071 1
1 770 . 1 1 1 A 80 80 LEU HA H 83 3.832 3.891 -0.059 1
1 780 . 1 1 1 A 80 80 LEU C C 83 180.208 179.060 1.148 1
1 781 . 1 1 1 A 80 80 LEU CA C 83 58.609 57.582 1.027 1
1 782 . 1 1 1 A 80 80 LEU CB C 83 39.992 40.761 -0.769 1
1 786 . 1 1 1 A 80 80 LEU N N 83 118.589 119.584 -0.995 1
1 787 . 1 1 1 A 81 81 ASP H H 84 8.033 8.158 -0.125 1
1 788 . 1 1 1 A 81 81 ASP HA H 84 4.430 4.306 0.124 1
1 790 . 1 1 1 A 81 81 ASP C C 84 177.856 178.612 -0.756 1
1 791 . 1 1 1 A 81 81 ASP CA C 84 57.676 57.351 0.325 1
1 792 . 1 1 1 A 81 81 ASP CB C 84 40.062 40.423 -0.361 1
1 793 . 1 1 1 A 81 81 ASP N N 84 120.756 120.534 0.222 1
1 794 . 1 1 1 A 82 82 PHE H H 85 8.156 8.129 0.027 1
1 795 . 1 1 1 A 82 82 PHE HA H 85 4.050 4.072 -0.022 1
1 799 . 1 1 1 A 82 82 PHE C C 85 177.101 177.141 -0.040 1
1 800 . 1 1 1 A 82 82 PHE CA C 85 61.486 61.360 0.126 1
1 801 . 1 1 1 A 82 82 PHE CB C 85 39.199 39.151 0.048 1
1 802 . 1 1 1 A 82 82 PHE N N 85 121.307 121.765 -0.458 1
1 803 . 1 1 1 A 83 83 GLN H H 86 8.501 8.253 0.248 1
1 804 . 1 1 1 A 83 83 GLN HA H 86 3.406 3.913 -0.507 1
1 811 . 1 1 1 A 83 83 GLN C C 86 176.912 178.452 -1.540 1
1 812 . 1 1 1 A 83 83 GLN CA C 86 60.616 58.627 1.989 1
1 813 . 1 1 1 A 83 83 GLN CB C 86 29.919 28.174 1.745 1
1 815 . 1 1 1 A 83 83 GLN N N 86 117.731 117.660 0.071 1
1 817 . 1 1 1 A 84 84 LYS H H 87 7.710 7.928 -0.218 1
1 818 . 1 1 1 A 84 84 LYS HA H 87 4.419 3.986 0.433 1
1 824 . 1 1 1 A 84 84 LYS C C 87 180.050 178.787 1.263 1
1 825 . 1 1 1 A 84 84 LYS CA C 87 59.004 59.756 -0.752 1
1 826 . 1 1 1 A 84 84 LYS CB C 87 32.406 32.326 0.080 1
1 830 . 1 1 1 A 84 84 LYS N N 87 117.910 120.048 -2.138 1
1 831 . 1 1 1 A 85 85 GLN H H 88 7.708 7.889 -0.181 1
1 832 . 1 1 1 A 85 85 GLN HA H 88 4.011 4.043 -0.032 1
1 839 . 1 1 1 A 85 85 GLN C C 88 177.926 178.644 -0.718 1
1 840 . 1 1 1 A 85 85 GLN CA C 88 58.084 58.603 -0.519 1
1 841 . 1 1 1 A 85 85 GLN CB C 88 28.724 28.025 0.699 1
1 843 . 1 1 1 A 85 85 GLN N N 88 116.720 118.915 -2.195 1
1 845 . 1 1 1 A 86 86 LEU H H 89 7.817 7.876 -0.059 1
1 846 . 1 1 1 A 86 86 LEU HA H 89 3.823 4.055 -0.232 1
1 856 . 1 1 1 A 86 86 LEU C C 89 179.228 178.571 0.657 1
1 857 . 1 1 1 A 86 86 LEU CA C 89 57.534 57.379 0.155 1
1 858 . 1 1 1 A 86 86 LEU CB C 89 40.703 40.981 -0.278 1
1 861 . 1 1 1 A 86 86 LEU N N 89 122.521 121.598 0.923 1
1 862 . 1 1 1 A 87 87 PHE H H 90 8.171 8.135 0.036 1
1 863 . 1 1 1 A 87 87 PHE HA H 90 4.481 4.345 0.136 1
1 866 . 1 1 1 A 87 87 PHE C C 90 179.080 178.503 0.577 1
1 867 . 1 1 1 A 87 87 PHE CA C 90 63.083 60.706 2.377 1
1 868 . 1 1 1 A 87 87 PHE CB C 90 38.940 37.876 1.064 1
1 869 . 1 1 1 A 87 87 PHE N N 90 115.576 117.865 -2.289 1
1 870 . 1 1 1 A 88 88 ALA H H 91 7.670 8.241 -0.571 1
1 871 . 1 1 1 A 88 88 ALA HA H 91 4.147 4.129 0.018 1
1 875 . 1 1 1 A 88 88 ALA C C 91 178.721 178.721 0.000 1
1 876 . 1 1 1 A 88 88 ALA CA C 91 54.410 54.512 -0.102 1
1 877 . 1 1 1 A 88 88 ALA CB C 91 18.243 18.184 0.059 1
1 878 . 1 1 1 A 88 88 ALA N N 91 117.596 121.894 -4.298 1
1 879 . 1 1 1 A 89 89 ALA H H 92 7.287 7.667 -0.380 1
1 880 . 1 1 1 A 89 89 ALA HA H 92 4.231 4.425 -0.194 1
1 884 . 1 1 1 A 89 89 ALA C C 92 175.668 176.961 -1.293 1
1 885 . 1 1 1 A 89 89 ALA CA C 92 51.074 51.569 -0.495 1
1 886 . 1 1 1 A 89 89 ALA CB C 92 19.669 19.379 0.290 1
1 887 . 1 1 1 A 89 89 ALA N N 92 120.522 118.890 1.632 1
1 888 . 1 1 1 A 90 90 GLN H H 93 6.925 7.645 -0.720 1
1 889 . 1 1 1 A 90 90 GLN HA H 93 2.241 4.061 -1.820 1
1 896 . 1 1 1 A 90 90 GLN CA C 93 57.876 55.992 1.884 1
1 897 . 1 1 1 A 90 90 GLN CB C 93 31.780 29.308 2.472 1
1 899 . 1 1 1 A 90 90 GLN N N 93 117.565 119.936 -2.371 1
1 901 . 1 1 1 A 91 91 GLN H H 94 3.505 8.670 -5.165 1
1 902 . 1 1 1 A 91 91 GLN HA H 94 4.311 4.759 -0.448 1
1 905 . 1 1 1 A 91 91 GLN C C 94 173.912 174.618 -0.706 1
1 906 . 1 1 1 A 91 91 GLN CA C 94 53.106 53.648 -0.542 1
1 907 . 1 1 1 A 91 91 GLN CB C 94 30.546 31.399 -0.853 1
1 909 . 1 1 1 A 91 91 GLN N N 94 123.498 123.610 -0.112 1
1 910 . 1 1 1 A 92 92 ASP H H 95 7.734 8.536 -0.802 1
1 911 . 1 1 1 A 92 92 ASP HA H 95 4.370 4.426 -0.056 1
1 913 . 1 1 1 A 92 92 ASP C C 95 176.572 177.542 -0.970 1
1 914 . 1 1 1 A 92 92 ASP CA C 95 55.800 54.826 0.974 1
1 915 . 1 1 1 A 92 92 ASP CB C 95 42.920 42.039 0.881 1
1 916 . 1 1 1 A 92 92 ASP N N 95 120.454 121.860 -1.406 1
1 917 . 1 1 1 A 93 93 GLU H H 96 9.066 8.856 0.210 1
1 918 . 1 1 1 A 93 93 GLU HA H 96 4.345 4.029 0.316 1
1 921 . 1 1 1 A 93 93 GLU C C 96 176.572 177.400 -0.828 1
1 922 . 1 1 1 A 93 93 GLU CA C 96 59.286 58.574 0.712 1
1 923 . 1 1 1 A 93 93 GLU CB C 96 30.641 29.197 1.444 1
1 925 . 1 1 1 A 93 93 GLU N N 96 122.596 125.375 -2.779 1
1 926 . 1 1 1 A 94 94 ASN H H 97 8.442 8.055 0.387 1
1 927 . 1 1 1 A 94 94 ASN HA H 97 4.707 4.814 -0.107 1
1 929 . 1 1 1 A 94 94 ASN C C 97 175.569 175.978 -0.409 1
1 930 . 1 1 1 A 94 94 ASN CA C 97 53.899 54.231 -0.332 1
1 931 . 1 1 1 A 94 94 ASN CB C 97 38.879 39.118 -0.239 1
1 932 . 1 1 1 A 94 94 ASN N N 97 115.180 117.290 -2.110 1
1 933 . 1 1 1 A 95 95 LYS H H 98 8.163 7.842 0.321 1
1 934 . 1 1 1 A 95 95 LYS C C 98 176.981 176.563 0.418 1
1 935 . 1 1 1 A 95 95 LYS CA C 98 55.198 54.992 0.206 1
1 936 . 1 1 1 A 95 95 LYS CB C 98 34.612 34.150 0.462 1
1 937 . 1 1 1 A 95 95 LYS N N 98 120.987 118.646 2.341 1
1 938 . 1 1 1 A 96 96 GLU H H 99 8.681 8.954 -0.273 1
1 939 . 1 1 1 A 96 96 GLU HA H 99 4.520 4.490 0.030 1
1 943 . 1 1 1 A 96 96 GLU C C 99 175.659 177.280 -1.621 1
1 944 . 1 1 1 A 96 96 GLU CA C 99 55.302 55.185 0.117 1
1 945 . 1 1 1 A 96 96 GLU CB C 99 27.808 27.749 0.059 1
1 947 . 1 1 1 A 96 96 GLU N N 99 125.290 123.150 2.140 1
1 948 . 1 1 1 A 97 97 TRP H H 100 7.386 7.773 -0.387 1
1 949 . 1 1 1 A 97 97 TRP HA H 100 4.753 4.587 0.166 1
1 953 . 1 1 1 A 97 97 TRP C C 100 176.942 176.890 0.052 1
1 954 . 1 1 1 A 97 97 TRP CA C 100 55.907 58.767 -2.860 1
1 955 . 1 1 1 A 97 97 TRP CB C 100 29.937 28.521 1.416 1
1 956 . 1 1 1 A 97 97 TRP N N 100 120.006 121.617 -1.611 1
1 958 . 1 1 1 A 98 98 LEU H H 101 8.984 7.719 1.265 1
1 959 . 1 1 1 A 98 98 LEU HA H 101 3.927 4.472 -0.545 1
1 969 . 1 1 1 A 98 98 LEU C C 101 174.865 175.330 -0.465 1
1 970 . 1 1 1 A 98 98 LEU CA C 101 54.212 53.636 0.576 1
1 971 . 1 1 1 A 98 98 LEU CB C 101 39.504 39.300 0.204 1
1 975 . 1 1 1 A 98 98 LEU N N 101 129.790 121.131 8.659 1
1 976 . 1 1 1 A 99 99 THR H H 102 7.356 8.105 -0.749 1
1 977 . 1 1 1 A 99 99 THR HA H 102 4.490 4.668 -0.178 1
1 979 . 1 1 1 A 99 99 THR C C 102 175.227 176.206 -0.979 1
1 980 . 1 1 1 A 99 99 THR CA C 102 58.849 60.431 -1.582 1
1 981 . 1 1 1 A 99 99 THR CB C 102 71.555 71.464 0.091 1
1 982 . 1 1 1 A 99 99 THR N N 102 110.885 113.995 -3.110 1
1 983 . 1 1 1 A 100 100 LYS H H 103 8.757 8.947 -0.190 1
1 984 . 1 1 1 A 100 100 LYS HA H 103 4.568 4.003 0.565 1
1 986 . 1 1 1 A 100 100 LYS C C 103 177.761 179.129 -1.368 1
1 987 . 1 1 1 A 100 100 LYS CA C 103 58.938 59.788 -0.850 1
1 988 . 1 1 1 A 100 100 LYS CB C 103 32.261 31.987 0.274 1
1 989 . 1 1 1 A 100 100 LYS N N 103 119.953 121.470 -1.517 1
1 990 . 1 1 1 A 101 101 GLU H H 104 8.198 7.949 0.249 1
1 991 . 1 1 1 A 101 101 GLU HA H 104 4.073 4.060 0.013 1
1 996 . 1 1 1 A 101 101 GLU C C 104 179.447 178.858 0.589 1
1 997 . 1 1 1 A 101 101 GLU CA C 104 60.461 59.133 1.328 1
1 998 . 1 1 1 A 101 101 GLU CB C 104 29.226 29.524 -0.298 1
1 1000 . 1 1 1 A 101 101 GLU N N 104 116.620 119.800 -3.180 1
1 1001 . 1 1 1 A 102 102 LEU H H 105 7.805 8.031 -0.226 1
1 1002 . 1 1 1 A 102 102 LEU HA H 105 4.141 4.056 0.085 1
1 1011 . 1 1 1 A 102 102 LEU C C 105 179.079 178.314 0.765 1
1 1012 . 1 1 1 A 102 102 LEU CA C 105 58.888 58.153 0.735 1
1 1013 . 1 1 1 A 102 102 LEU CB C 105 42.346 41.564 0.782 1
1 1017 . 1 1 1 A 102 102 LEU N N 105 122.702 121.170 1.532 1
1 1018 . 1 1 1 A 103 103 LEU H H 106 8.732 8.172 0.560 1
1 1019 . 1 1 1 A 103 103 LEU HA H 106 3.740 4.015 -0.275 1
1 1029 . 1 1 1 A 103 103 LEU C C 106 179.010 179.203 -0.193 1
1 1030 . 1 1 1 A 103 103 LEU CA C 106 58.819 58.273 0.546 1
1 1031 . 1 1 1 A 103 103 LEU CB C 106 40.917 41.180 -0.263 1
1 1034 . 1 1 1 A 103 103 LEU N N 106 121.288 117.980 3.308 1
1 1035 . 1 1 1 A 104 104 ASP H H 107 8.979 8.449 0.530 1
1 1036 . 1 1 1 A 104 104 ASP HA H 107 4.507 4.441 0.066 1
1 1037 . 1 1 1 A 104 104 ASP C C 107 178.910 178.918 -0.008 1
1 1038 . 1 1 1 A 104 104 ASP CA C 107 57.980 57.548 0.432 1
1 1039 . 1 1 1 A 104 104 ASP CB C 107 39.362 40.135 -0.773 1
1 1040 . 1 1 1 A 104 104 ASP N N 107 119.958 120.009 -0.051 1
1 1041 . 1 1 1 A 105 105 LYS H H 108 7.396 7.912 -0.516 1
1 1042 . 1 1 1 A 105 105 LYS HA H 108 3.962 4.062 -0.100 1
1 1049 . 1 1 1 A 105 105 LYS C C 108 179.461 179.124 0.337 1
1 1050 . 1 1 1 A 105 105 LYS CA C 108 60.188 59.093 1.095 1
1 1051 . 1 1 1 A 105 105 LYS CB C 108 32.023 32.180 -0.157 1
1 1055 . 1 1 1 A 105 105 LYS N N 108 119.832 120.622 -0.790 1
1 1056 . 1 1 1 A 106 106 HIS H H 109 8.485 7.754 0.731 1
1 1058 . 1 1 1 A 106 106 HIS C C 109 178.800 178.005 0.795 1
1 1059 . 1 1 1 A 106 106 HIS CA C 109 61.446 60.206 1.240 1
1 1060 . 1 1 1 A 106 106 HIS CB C 109 32.434 30.424 2.010 1
1 1061 . 1 1 1 A 106 106 HIS N N 109 119.994 117.954 2.040 1
1 1062 . 1 1 1 A 107 107 ILE H H 110 8.990 8.049 0.941 1
1 1063 . 1 1 1 A 107 107 ILE HA H 110 3.705 3.551 0.154 1
1 1073 . 1 1 1 A 107 107 ILE C C 110 179.567 178.129 1.438 1
1 1074 . 1 1 1 A 107 107 ILE CA C 110 65.611 65.436 0.175 1
1 1075 . 1 1 1 A 107 107 ILE CB C 110 38.190 37.918 0.272 1
1 1079 . 1 1 1 A 107 107 ILE N N 110 122.423 120.398 2.025 1
1 1080 . 1 1 1 A 108 108 LYS H H 111 8.430 8.058 0.372 1
1 1081 . 1 1 1 A 108 108 LYS HA H 111 4.036 4.081 -0.045 1
1 1082 . 1 1 1 A 108 108 LYS C C 111 179.462 178.998 0.464 1
1 1083 . 1 1 1 A 108 108 LYS CA C 111 59.924 59.395 0.529 1
1 1084 . 1 1 1 A 108 108 LYS CB C 111 32.381 31.872 0.509 1
1 1085 . 1 1 1 A 108 108 LYS N N 111 121.450 120.162 1.288 1
1 1086 . 1 1 1 A 109 109 GLN H H 112 7.748 8.001 -0.253 1
1 1087 . 1 1 1 A 109 109 GLN HA H 112 3.899 4.178 -0.279 1
1 1092 . 1 1 1 A 109 109 GLN C C 112 175.912 176.949 -1.037 1
1 1093 . 1 1 1 A 109 109 GLN CA C 112 56.982 57.657 -0.675 1
1 1094 . 1 1 1 A 109 109 GLN CB C 112 28.326 28.402 -0.076 1
1 1096 . 1 1 1 A 109 109 GLN N N 112 118.007 118.104 -0.097 1
1 1098 . 1 1 1 A 110 110 LEU H H 113 7.389 7.700 -0.311 1
1 1099 . 1 1 1 A 110 110 LEU HA H 113 4.221 4.180 0.041 1
1 1106 . 1 1 1 A 110 110 LEU C C 113 176.751 176.255 0.496 1
1 1107 . 1 1 1 A 110 110 LEU CA C 113 55.832 55.413 0.419 1
1 1108 . 1 1 1 A 110 110 LEU CB C 113 41.745 42.261 -0.516 1
1 1110 . 1 1 1 A 110 110 LEU N N 113 116.870 117.716 -0.846 1
1 1111 . 1 1 1 A 111 111 HIS H H 114 7.796 8.050 -0.254 1
1 1112 . 1 1 1 A 111 111 HIS HA H 114 4.365 4.155 0.210 1
1 1115 . 1 1 1 A 111 111 HIS C C 114 174.736 174.545 0.191 1
1 1116 . 1 1 1 A 111 111 HIS CA C 114 56.623 56.602 0.021 1
1 1117 . 1 1 1 A 111 111 HIS CB C 114 26.611 26.678 -0.067 1
1 1118 . 1 1 1 A 111 111 HIS N N 114 113.693 115.426 -1.733 1
1 1119 . 1 1 1 A 112 112 LEU H H 115 9.248 7.896 1.352 1
1 1120 . 1 1 1 A 112 112 LEU HA H 115 4.445 4.360 0.085 1
1 1130 . 1 1 1 A 112 112 LEU C C 115 177.506 176.369 1.137 1
1 1131 . 1 1 1 A 112 112 LEU CA C 115 53.914 54.321 -0.407 1
1 1132 . 1 1 1 A 112 112 LEU CB C 115 43.221 42.384 0.837 1
1 1135 . 1 1 1 A 112 112 LEU N N 115 119.614 119.686 -0.072 1
1 1136 . 1 1 1 A 113 113 ASP H H 116 8.070 8.620 -0.550 1
1 1137 . 1 1 1 A 113 113 ASP HA H 116 4.559 4.680 -0.121 1
1 1140 . 1 1 1 A 113 113 ASP C C 116 176.378 176.426 -0.048 1
1 1141 . 1 1 1 A 113 113 ASP CA C 116 54.338 53.750 0.588 1
1 1142 . 1 1 1 A 113 113 ASP CB C 116 41.531 41.808 -0.277 1
1 1143 . 1 1 1 A 113 113 ASP N N 116 117.934 120.583 -2.649 1
1 1144 . 1 1 1 A 114 114 LYS H H 117 8.518 9.039 -0.521 1
1 1145 . 1 1 1 A 114 114 LYS HA H 117 3.924 3.823 0.101 1
1 1151 . 1 1 1 A 114 114 LYS C C 117 178.372 178.293 0.079 1
1 1152 . 1 1 1 A 114 114 LYS CA C 117 59.229 60.542 -1.313 1
1 1153 . 1 1 1 A 114 114 LYS CB C 117 32.353 32.270 0.083 1
1 1157 . 1 1 1 A 114 114 LYS N N 117 122.036 122.049 -0.013 1
1 1158 . 1 1 1 A 115 115 GLU H H 118 8.346 8.385 -0.039 1
1 1159 . 1 1 1 A 115 115 GLU HA H 118 4.102 3.969 0.133 1
1 1163 . 1 1 1 A 115 115 GLU C C 118 179.523 178.993 0.530 1
1 1164 . 1 1 1 A 115 115 GLU CA C 118 59.848 59.477 0.371 1
1 1165 . 1 1 1 A 115 115 GLU CB C 118 29.215 29.463 -0.248 1
1 1167 . 1 1 1 A 115 115 GLU N N 118 117.821 118.185 -0.364 1
1 1168 . 1 1 1 A 116 116 THR H H 119 8.029 8.125 -0.096 1
1 1169 . 1 1 1 A 116 116 THR HA H 119 4.118 3.768 0.350 1
1 1175 . 1 1 1 A 116 116 THR C C 119 175.603 175.915 -0.312 1
1 1176 . 1 1 1 A 116 116 THR CA C 119 67.325 67.628 -0.303 1
1 1178 . 1 1 1 A 116 116 THR N N 119 119.578 118.523 1.055 1
1 1179 . 1 1 1 A 117 117 GLU H H 120 8.485 8.392 0.093 1
1 1180 . 1 1 1 A 117 117 GLU HA H 120 3.558 3.915 -0.357 1
1 1183 . 1 1 1 A 117 117 GLU C C 120 177.173 179.220 -2.047 1
1 1184 . 1 1 1 A 117 117 GLU CA C 120 60.979 59.541 1.438 1
1 1185 . 1 1 1 A 117 117 GLU CB C 120 31.514 29.213 2.301 1
1 1187 . 1 1 1 A 117 117 GLU N N 120 121.756 121.635 0.121 1
1 1188 . 1 1 1 A 118 118 ASN H H 121 8.223 8.247 -0.024 1
1 1189 . 1 1 1 A 118 118 ASN HA H 121 4.384 4.575 -0.191 1
1 1194 . 1 1 1 A 118 118 ASN C C 121 177.707 177.518 0.189 1
1 1195 . 1 1 1 A 118 118 ASN CA C 121 55.981 55.933 0.048 1
1 1196 . 1 1 1 A 118 118 ASN CB C 121 38.524 37.845 0.679 1
1 1197 . 1 1 1 A 118 118 ASN N N 121 114.342 118.930 -4.588 1
1 1199 . 1 1 1 A 119 119 LYS H H 122 7.796 7.839 -0.043 1
1 1200 . 1 1 1 A 119 119 LYS HA H 122 3.844 4.124 -0.280 1
1 1207 . 1 1 1 A 119 119 LYS C C 122 178.743 178.786 -0.043 1
1 1208 . 1 1 1 A 119 119 LYS CA C 122 60.003 58.938 1.065 1
1 1209 . 1 1 1 A 119 119 LYS CB C 122 32.329 32.138 0.191 1
1 1212 . 1 1 1 A 119 119 LYS N N 122 120.556 120.933 -0.377 1
1 1213 . 1 1 1 A 120 120 ILE H H 123 7.870 7.859 0.011 1
1 1214 . 1 1 1 A 120 120 ILE HA H 123 3.530 3.700 -0.170 1
1 1224 . 1 1 1 A 120 120 ILE C C 123 176.838 178.360 -1.522 1
1 1225 . 1 1 1 A 120 120 ILE CA C 123 66.304 65.543 0.761 1
1 1226 . 1 1 1 A 120 120 ILE CB C 123 38.879 37.746 1.133 1
1 1230 . 1 1 1 A 120 120 ILE N N 123 119.991 119.833 0.158 1
1 1231 . 1 1 1 A 121 121 ILE H H 124 7.830 8.232 -0.402 1
1 1232 . 1 1 1 A 121 121 ILE HA H 124 3.863 3.522 0.341 1
1 1242 . 1 1 1 A 121 121 ILE C C 124 176.257 178.238 -1.981 1
1 1243 . 1 1 1 A 121 121 ILE CA C 124 65.537 65.859 -0.322 1
1 1244 . 1 1 1 A 121 121 ILE CB C 124 38.455 37.773 0.682 1
1 1248 . 1 1 1 A 121 121 ILE N N 124 117.775 121.229 -3.454 1
1 1249 . 1 1 1 A 122 122 LYS H H 125 7.754 7.936 -0.182 1
1 1250 . 1 1 1 A 122 122 LYS HA H 125 3.953 3.937 0.016 1
1 1257 . 1 1 1 A 122 122 LYS C C 125 180.569 178.082 2.487 1
1 1258 . 1 1 1 A 122 122 LYS CA C 125 58.801 58.935 -0.134 1
1 1259 . 1 1 1 A 122 122 LYS CB C 125 32.305 31.973 0.332 1
1 1263 . 1 1 1 A 122 122 LYS N N 125 114.281 120.613 -6.332 1
1 1264 . 1 1 1 A 123 123 ASP H H 126 8.350 8.002 0.348 1
1 1265 . 1 1 1 A 123 123 ASP HA H 126 4.339 4.360 -0.021 1
1 1268 . 1 1 1 A 123 123 ASP C C 126 180.632 178.146 2.486 1
1 1269 . 1 1 1 A 123 123 ASP CA C 126 59.146 57.413 1.733 1
1 1270 . 1 1 1 A 123 123 ASP CB C 126 44.544 41.683 2.861 1
1 1271 . 1 1 1 A 123 123 ASP N N 126 121.206 119.612 1.594 1
1 1272 . 1 1 1 A 124 124 TYR H H 127 7.954 8.061 -0.107 1
1 1278 . 1 1 1 A 124 124 TYR CA C 127 59.858 59.833 0.025 1
1 1279 . 1 1 1 A 124 124 TYR CB C 127 37.012 36.961 0.051 1
1 1280 . 1 1 1 A 124 124 TYR N N 127 115.316 118.794 -3.478 1
1 1281 . 1 1 1 A 125 125 LYS HA H 128 4.109 4.375 -0.266 1
1 1284 . 1 1 1 A 125 125 LYS C C 128 176.852 175.940 0.912 1
1 1285 . 1 1 1 A 125 125 LYS CA C 128 56.585 55.890 0.695 1
1 1286 . 1 1 1 A 125 125 LYS CB C 128 34.358 32.905 1.453 1
1 1287 . 1 1 1 A 126 126 THR H H 129 7.485 7.499 -0.014 1
1 1288 . 1 1 1 A 126 126 THR HA H 129 4.010 4.371 -0.361 1
1 1293 . 1 1 1 A 126 126 THR CA C 129 63.206 62.077 1.129 1
1 1294 . 1 1 1 A 126 126 THR CB C 129 70.043 69.731 0.312 1
1 1295 . 1 1 1 A 126 126 THR N N 129 119.006 115.262 3.744 1
1 1296 . 1 1 1 A 129 129 SER C C 132 174.728 175.579 -0.851 1
1 1297 . 1 1 1 A 129 129 SER CA C 132 57.547 57.349 0.198 1
1 1298 . 1 1 1 A 129 129 SER CB C 132 65.061 65.340 -0.279 1
1 1299 . 1 1 1 A 130 130 LYS H H 133 9.526 9.045 0.481 1
1 1300 . 1 1 1 A 130 130 LYS C C 133 180.714 178.611 2.103 1
1 1301 . 1 1 1 A 130 130 LYS CA C 133 60.898 60.032 0.866 1
1 1302 . 1 1 1 A 130 130 LYS CB C 133 32.559 32.003 0.556 1
1 1303 . 1 1 1 A 130 130 LYS N N 133 119.194 121.529 -2.335 1
1 1304 . 1 1 1 A 131 131 SER H H 134 8.830 8.267 0.563 1
1 1305 . 1 1 1 A 131 131 SER CA C 134 63.383 61.200 2.183 1
1 1306 . 1 1 1 A 131 131 SER N N 134 117.002 113.809 3.193 1
1 1307 . 1 1 1 A 132 132 TRP H H 135 8.205 7.785 0.420 1
1 1309 . 1 1 1 A 132 132 TRP C C 135 180.342 178.539 1.803 1
1 1310 . 1 1 1 A 132 132 TRP CA C 135 61.852 61.028 0.824 1
1 1311 . 1 1 1 A 132 132 TRP CB C 135 28.007 29.686 -1.679 1
1 1312 . 1 1 1 A 132 132 TRP N N 135 126.973 125.057 1.916 1
1 1314 . 1 1 1 A 133 133 LYS H H 136 8.628 8.230 0.398 1
1 1315 . 1 1 1 A 133 133 LYS HA H 136 4.142 3.997 0.145 1
1 1320 . 1 1 1 A 133 133 LYS C C 136 179.774 178.948 0.826 1
1 1321 . 1 1 1 A 133 133 LYS CA C 136 59.501 59.680 -0.179 1
1 1322 . 1 1 1 A 133 133 LYS CB C 136 32.536 32.315 0.221 1
1 1325 . 1 1 1 A 133 133 LYS N N 136 118.486 118.567 -0.081 1
1 1326 . 1 1 1 A 134 134 ALA H H 137 8.180 7.879 0.301 1
1 1327 . 1 1 1 A 134 134 ALA HA H 137 3.883 4.121 -0.238 1
1 1331 . 1 1 1 A 134 134 ALA C C 137 179.474 179.669 -0.195 1
1 1332 . 1 1 1 A 134 134 ALA CA C 137 55.206 54.779 0.427 1
1 1333 . 1 1 1 A 134 134 ALA CB C 137 17.757 17.389 0.368 1
1 1334 . 1 1 1 A 134 134 ALA N N 137 124.234 122.520 1.714 1
1 1335 . 1 1 1 A 135 135 ALA H H 138 7.714 7.996 -0.282 1
1 1336 . 1 1 1 A 135 135 ALA HA H 138 3.888 4.011 -0.123 1
1 1340 . 1 1 1 A 135 135 ALA C C 138 181.035 180.340 0.695 1
1 1341 . 1 1 1 A 135 135 ALA CA C 138 55.184 55.200 -0.016 1
1 1342 . 1 1 1 A 135 135 ALA CB C 138 18.752 18.191 0.561 1
1 1343 . 1 1 1 A 135 135 ALA N N 138 119.867 119.222 0.645 1
1 1344 . 1 1 1 A 136 136 GLU H H 139 7.441 8.020 -0.579 1
1 1345 . 1 1 1 A 136 136 GLU HA H 139 4.030 3.934 0.096 1
1 1349 . 1 1 1 A 136 136 GLU C C 139 179.551 179.035 0.516 1
1 1350 . 1 1 1 A 136 136 GLU CA C 139 59.149 59.487 -0.338 1
1 1351 . 1 1 1 A 136 136 GLU CB C 139 29.592 29.784 -0.192 1
1 1353 . 1 1 1 A 136 136 GLU N N 139 117.304 117.691 -0.387 1
1 1354 . 1 1 1 A 137 137 LYS H H 140 8.136 7.948 0.188 1
1 1355 . 1 1 1 A 137 137 LYS HA H 140 4.056 4.058 -0.002 1
1 1361 . 1 1 1 A 137 137 LYS C C 140 178.349 178.256 0.093 1
1 1362 . 1 1 1 A 137 137 LYS CA C 140 59.410 59.107 0.303 1
1 1363 . 1 1 1 A 137 137 LYS CB C 140 31.598 32.060 -0.462 1
1 1367 . 1 1 1 A 137 137 LYS N N 140 123.166 120.870 2.296 1
1 1368 . 1 1 1 A 138 138 ASP H H 141 7.499 8.204 -0.705 1
1 1369 . 1 1 1 A 138 138 ASP HA H 141 4.354 4.311 0.043 1
1 1372 . 1 1 1 A 138 138 ASP C C 141 178.006 179.150 -1.144 1
1 1373 . 1 1 1 A 138 138 ASP CA C 141 57.374 57.206 0.168 1
1 1374 . 1 1 1 A 138 138 ASP CB C 141 41.847 40.505 1.342 1
1 1375 . 1 1 1 A 138 138 ASP N N 141 120.660 119.795 0.865 1
1 1376 . 1 1 1 A 139 139 LYS H H 142 6.770 7.850 -1.080 1
1 1377 . 1 1 1 A 139 139 LYS HA H 142 3.799 4.012 -0.213 1
1 1382 . 1 1 1 A 139 139 LYS C C 142 179.559 179.224 0.335 1
1 1383 . 1 1 1 A 139 139 LYS CA C 142 60.382 59.561 0.821 1
1 1384 . 1 1 1 A 139 139 LYS CB C 142 32.023 32.121 -0.098 1
1 1388 . 1 1 1 A 139 139 LYS N N 142 114.590 119.887 -5.297 1
1 1389 . 1 1 1 A 140 140 LYS H H 143 7.318 7.688 -0.370 1
1 1390 . 1 1 1 A 140 140 LYS HA H 143 4.051 4.210 -0.159 1
1 1396 . 1 1 1 A 140 140 LYS C C 143 177.551 178.781 -1.230 1
1 1397 . 1 1 1 A 140 140 LYS CA C 143 59.299 58.918 0.381 1
1 1398 . 1 1 1 A 140 140 LYS CB C 143 32.494 32.093 0.401 1
1 1402 . 1 1 1 A 140 140 LYS N N 143 121.383 120.434 0.949 1
1 1403 . 1 1 1 A 141 141 ILE H H 144 8.507 8.239 0.268 1
1 1404 . 1 1 1 A 141 141 ILE HA H 144 3.711 3.532 0.179 1
1 1413 . 1 1 1 A 141 141 ILE C C 144 179.194 177.302 1.892 1
1 1414 . 1 1 1 A 141 141 ILE CA C 144 65.399 66.119 -0.720 1
1 1415 . 1 1 1 A 141 141 ILE CB C 144 38.083 38.186 -0.103 1
1 1419 . 1 1 1 A 141 141 ILE N N 144 120.764 119.977 0.787 1
1 1420 . 1 1 1 A 142 142 ALA H H 145 7.872 8.365 -0.493 1
1 1421 . 1 1 1 A 142 142 ALA HA H 145 3.899 3.931 -0.032 1
1 1425 . 1 1 1 A 142 142 ALA C C 145 178.694 179.389 -0.695 1
1 1426 . 1 1 1 A 142 142 ALA CA C 145 55.684 55.383 0.301 1
1 1427 . 1 1 1 A 142 142 ALA CB C 145 18.666 18.110 0.556 1
1 1428 . 1 1 1 A 142 142 ALA N N 145 119.775 121.768 -1.993 1
1 1429 . 1 1 1 A 143 143 LYS H H 146 7.570 7.904 -0.334 1
1 1430 . 1 1 1 A 143 143 LYS HA H 146 4.001 3.995 0.006 1
1 1435 . 1 1 1 A 143 143 LYS C C 146 181.004 178.663 2.341 1
1 1436 . 1 1 1 A 143 143 LYS CA C 146 59.487 59.472 0.015 1
1 1437 . 1 1 1 A 143 143 LYS CB C 146 32.381 32.198 0.183 1
1 1441 . 1 1 1 A 143 143 LYS N N 146 118.824 117.814 1.010 1
1 1442 . 1 1 1 A 144 144 ASP H H 147 8.978 8.290 0.688 1
1 1443 . 1 1 1 A 144 144 ASP HA H 147 4.199 4.391 -0.192 1
1 1446 . 1 1 1 A 144 144 ASP C C 147 177.135 177.779 -0.644 1
1 1447 . 1 1 1 A 144 144 ASP CA C 147 56.888 56.711 0.177 1
1 1448 . 1 1 1 A 144 144 ASP CB C 147 39.925 40.358 -0.433 1
1 1449 . 1 1 1 A 144 144 ASP N N 147 122.128 120.182 1.946 1
1 1450 . 1 1 1 A 145 145 ASN H H 148 7.358 7.823 -0.465 1
1 1451 . 1 1 1 A 145 145 ASN HA H 148 4.574 4.830 -0.256 1
1 1456 . 1 1 1 A 145 145 ASN C C 148 173.027 173.917 -0.890 1
1 1457 . 1 1 1 A 145 145 ASN CA C 148 53.089 52.689 0.400 1
1 1458 . 1 1 1 A 145 145 ASN CB C 148 38.883 38.479 0.404 1
1 1459 . 1 1 1 A 145 145 ASN N N 148 114.651 114.565 0.086 1
1 1461 . 1 1 1 A 146 146 HIS H H 149 7.652 8.028 -0.376 1
1 1462 . 1 1 1 A 146 146 HIS HA H 149 4.112 4.138 -0.026 1
1 1465 . 1 1 1 A 146 146 HIS C C 149 174.133 174.147 -0.014 1
1 1466 . 1 1 1 A 146 146 HIS CA C 149 56.661 56.479 0.182 1
1 1467 . 1 1 1 A 146 146 HIS CB C 149 26.851 26.532 0.319 1
1 1468 . 1 1 1 A 146 146 HIS N N 149 114.959 114.803 0.156 1
1 1469 . 1 1 1 A 147 147 ILE H H 150 7.902 7.853 0.049 1
1 1470 . 1 1 1 A 147 147 ILE HA H 150 3.940 4.094 -0.154 1
1 1480 . 1 1 1 A 147 147 ILE C C 150 175.800 175.295 0.505 1
1 1481 . 1 1 1 A 147 147 ILE CA C 150 59.295 60.829 -1.534 1
1 1482 . 1 1 1 A 147 147 ILE CB C 150 34.946 36.866 -1.920 1
1 1486 . 1 1 1 A 147 147 ILE N N 150 118.964 119.547 -0.583 1
1 1487 . 1 1 1 A 148 148 LYS H H 151 8.165 8.851 -0.686 1
1 1488 . 1 1 1 A 148 148 LYS HA H 151 4.319 4.322 -0.003 1
1 1494 . 1 1 1 A 148 148 LYS C C 151 175.529 176.479 -0.950 1
1 1495 . 1 1 1 A 148 148 LYS CA C 151 55.793 57.848 -2.055 1
1 1496 . 1 1 1 A 148 148 LYS CB C 151 34.790 33.038 1.752 1
1 1500 . 1 1 1 A 148 148 LYS N N 151 121.392 127.844 -6.452 1
1 1501 . 1 1 1 A 149 149 THR H H 152 7.412 7.815 -0.403 1
1 1502 . 1 1 1 A 149 149 THR HA H 152 4.575 4.758 -0.183 1
1 1507 . 1 1 1 A 149 149 THR C C 152 172.725 174.289 -1.564 1
1 1508 . 1 1 1 A 149 149 THR CA C 152 60.667 59.990 0.677 1
1 1509 . 1 1 1 A 149 149 THR CB C 152 71.033 71.048 -0.015 1
1 1511 . 1 1 1 A 149 149 THR N N 152 112.573 110.356 2.217 1
1 1512 . 1 1 1 A 150 150 THR H H 153 8.329 8.780 -0.451 1
1 1513 . 1 1 1 A 150 150 THR HA H 153 4.634 5.022 -0.388 1
1 1518 . 1 1 1 A 150 150 THR C C 153 171.940 172.417 -0.477 1
1 1519 . 1 1 1 A 150 150 THR CA C 153 57.110 58.327 -1.217 1
1 1520 . 1 1 1 A 150 150 THR CB C 153 71.302 71.186 0.116 1
1 1522 . 1 1 1 A 150 150 THR N N 153 111.960 112.637 -0.677 1
1 1523 . 1 1 1 A 151 151 PRO HA H 154 5.256 4.968 0.288 1
1 1530 . 1 1 1 A 151 151 PRO C C 154 176.490 175.955 0.535 1
1 1531 . 1 1 1 A 151 151 PRO CA C 154 62.978 62.360 0.618 1
1 1532 . 1 1 1 A 151 151 PRO CB C 154 35.592 32.543 3.049 1
1 1535 . 1 1 1 A 152 152 THR H H 155 7.863 8.633 -0.770 1
1 1536 . 1 1 1 A 152 152 THR HA H 155 4.287 4.832 -0.545 1
1 1541 . 1 1 1 A 152 152 THR C C 155 171.013 172.996 -1.983 1
1 1542 . 1 1 1 A 152 152 THR CA C 155 62.564 61.048 1.516 1
1 1543 . 1 1 1 A 152 152 THR CB C 155 72.043 72.188 -0.145 1
1 1545 . 1 1 1 A 152 152 THR N N 155 114.010 116.651 -2.641 1
1 1546 . 1 1 1 A 153 153 ALA H H 156 8.970 8.862 0.108 1
1 1547 . 1 1 1 A 153 153 ALA HA H 156 5.996 5.346 0.650 1
1 1551 . 1 1 1 A 153 153 ALA C C 156 174.773 175.086 -0.313 1
1 1552 . 1 1 1 A 153 153 ALA CA C 156 50.788 50.297 0.491 1
1 1553 . 1 1 1 A 153 153 ALA CB C 156 23.589 23.265 0.324 1
1 1554 . 1 1 1 A 153 153 ALA N N 156 129.712 125.693 4.019 1
1 1555 . 1 1 1 A 154 154 PHE H H 157 9.457 8.834 0.623 1
1 1556 . 1 1 1 A 154 154 PHE HA H 157 5.255 5.161 0.094 1
1 1561 . 1 1 1 A 154 154 PHE C C 157 175.498 175.200 0.298 1
1 1562 . 1 1 1 A 154 154 PHE CA C 157 56.303 55.951 0.352 1
1 1563 . 1 1 1 A 154 154 PHE CB C 157 45.234 43.745 1.489 1
1 1564 . 1 1 1 A 154 154 PHE N N 157 118.743 117.571 1.172 1
1 1565 . 1 1 1 A 155 155 ILE H H 158 9.076 8.738 0.338 1
1 1566 . 1 1 1 A 155 155 ILE HA H 158 5.007 4.571 0.436 1
1 1576 . 1 1 1 A 155 155 ILE C C 158 176.246 176.216 0.030 1
1 1577 . 1 1 1 A 155 155 ILE CA C 158 60.581 60.327 0.254 1
1 1578 . 1 1 1 A 155 155 ILE CB C 158 39.294 40.037 -0.743 1
1 1582 . 1 1 1 A 155 155 ILE N N 158 118.688 121.662 -2.974 1
1 1583 . 1 1 1 A 156 156 ASN H H 159 9.449 9.607 -0.158 1
1 1584 . 1 1 1 A 156 156 ASN C C 159 175.511 175.526 -0.015 1
1 1585 . 1 1 1 A 156 156 ASN CA C 159 54.319 54.728 -0.409 1
1 1586 . 1 1 1 A 156 156 ASN CB C 159 37.124 37.293 -0.169 1
1 1587 . 1 1 1 A 156 156 ASN N N 159 128.492 128.680 -0.188 1
1 1588 . 1 1 1 A 157 157 GLY H H 160 8.826 8.554 0.272 1
1 1589 . 1 1 1 A 157 157 GLY HA2 H 160 4.129 3.846 0.283 1
1 1590 . 1 1 1 A 157 157 GLY HA3 H 160 3.652 3.846 -0.194 1
1 1591 . 1 1 1 A 157 157 GLY C C 160 173.380 173.976 -0.596 1
1 1592 . 1 1 1 A 157 157 GLY CA C 160 45.703 45.421 0.282 1
1 1593 . 1 1 1 A 157 157 GLY N N 160 103.476 103.974 -0.498 1
1 1594 . 1 1 1 A 158 158 GLU H H 161 8.237 7.904 0.333 1
1 1595 . 1 1 1 A 158 158 GLU HA H 161 4.605 4.459 0.146 1
1 1598 . 1 1 1 A 158 158 GLU C C 161 174.942 175.942 -1.000 1
1 1599 . 1 1 1 A 158 158 GLU CA C 161 55.128 55.703 -0.575 1
1 1600 . 1 1 1 A 158 158 GLU CB C 161 31.154 30.765 0.389 1
1 1601 . 1 1 1 A 158 158 GLU N N 161 122.883 120.597 2.286 1
1 1602 . 1 1 1 A 159 159 LYS H H 162 8.521 8.479 0.042 1
1 1603 . 1 1 1 A 159 159 LYS HA H 162 3.491 4.415 -0.924 1
1 1611 . 1 1 1 A 159 159 LYS C C 162 176.149 176.324 -0.175 1
1 1612 . 1 1 1 A 159 159 LYS CA C 162 57.095 56.488 0.607 1
1 1613 . 1 1 1 A 159 159 LYS CB C 162 32.899 32.982 -0.083 1
1 1617 . 1 1 1 A 159 159 LYS N N 162 127.039 124.936 2.103 1
1 1618 . 1 1 1 A 160 160 VAL H H 163 8.170 8.695 -0.525 1
1 1619 . 1 1 1 A 160 160 VAL HA H 163 3.494 3.971 -0.477 1
1 1627 . 1 1 1 A 160 160 VAL C C 163 176.521 175.356 1.165 1
1 1628 . 1 1 1 A 160 160 VAL CA C 163 62.409 63.169 -0.760 1
1 1629 . 1 1 1 A 160 160 VAL CB C 163 31.257 30.665 0.592 1
1 1632 . 1 1 1 A 160 160 VAL N N 163 128.384 126.769 1.615 1
1 1633 . 1 1 1 A 161 161 GLU H H 164 8.474 8.943 -0.469 1
1 1634 . 1 1 1 A 161 161 GLU HA H 164 3.776 4.056 -0.280 1
1 1638 . 1 1 1 A 161 161 GLU C C 164 176.570 176.541 0.029 1
1 1639 . 1 1 1 A 161 161 GLU CA C 164 59.807 59.566 0.241 1
1 1640 . 1 1 1 A 161 161 GLU CB C 164 29.922 29.693 0.229 1
1 1642 . 1 1 1 A 161 161 GLU N N 164 128.513 127.168 1.345 1
1 1643 . 1 1 1 A 162 162 ASP H H 165 7.269 7.999 -0.730 1
1 1644 . 1 1 1 A 162 162 ASP HA H 165 5.099 4.950 0.149 1
1 1647 . 1 1 1 A 162 162 ASP CA C 165 49.820 50.841 -1.021 1
1 1648 . 1 1 1 A 162 162 ASP CB C 165 41.371 41.758 -0.387 1
1 1649 . 1 1 1 A 162 162 ASP N N 165 115.480 118.267 -2.787 1
1 1650 . 1 1 1 A 163 163 PRO HA H 166 4.106 4.413 -0.307 1
1 1656 . 1 1 1 A 163 163 PRO C C 166 175.673 176.974 -1.301 1
1 1657 . 1 1 1 A 163 163 PRO CA C 166 63.215 64.148 -0.933 1
1 1658 . 1 1 1 A 163 163 PRO CB C 166 31.326 31.616 -0.290 1
1 1661 . 1 1 1 A 164 164 TYR H H 167 7.616 8.046 -0.430 1
1 1662 . 1 1 1 A 164 164 TYR HA H 167 4.444 4.617 -0.173 1
1 1666 . 1 1 1 A 164 164 TYR C C 167 178.784 175.491 3.293 1
1 1667 . 1 1 1 A 164 164 TYR CA C 167 57.553 58.512 -0.959 1
1 1668 . 1 1 1 A 164 164 TYR CB C 167 37.915 39.018 -1.103 1
1 1669 . 1 1 1 A 164 164 TYR N N 167 116.762 118.257 -1.495 1
1 1670 . 1 1 1 A 165 165 ASP H H 168 7.414 7.772 -0.358 1
1 1671 . 1 1 1 A 165 165 ASP HA H 168 4.957 4.860 0.097 1
1 1674 . 1 1 1 A 165 165 ASP C C 168 179.464 176.038 3.426 1
1 1675 . 1 1 1 A 165 165 ASP CA C 168 51.923 52.700 -0.777 1
1 1676 . 1 1 1 A 165 165 ASP CB C 168 43.103 41.820 1.283 1
1 1677 . 1 1 1 A 165 165 ASP N N 168 119.630 121.872 -2.242 1
1 1678 . 1 1 1 A 166 166 TYR H H 169 9.281 8.938 0.343 1
1 1679 . 1 1 1 A 166 166 TYR HA H 169 4.157 3.971 0.186 1
1 1685 . 1 1 1 A 166 166 TYR C C 169 177.055 177.325 -0.270 1
1 1686 . 1 1 1 A 166 166 TYR CA C 169 62.450 62.476 -0.026 1
1 1687 . 1 1 1 A 166 166 TYR CB C 169 39.132 39.294 -0.162 1
1 1688 . 1 1 1 A 166 166 TYR N N 169 127.792 127.600 0.192 1
1 1689 . 1 1 1 A 167 167 GLU H H 170 8.576 8.546 0.030 1
1 1690 . 1 1 1 A 167 167 GLU HA H 170 3.840 3.967 -0.127 1
1 1695 . 1 1 1 A 167 167 GLU C C 170 178.638 178.779 -0.141 1
1 1696 . 1 1 1 A 167 167 GLU CA C 170 59.710 59.510 0.200 1
1 1697 . 1 1 1 A 167 167 GLU CB C 170 29.067 29.287 -0.220 1
1 1699 . 1 1 1 A 167 167 GLU N N 170 117.250 118.535 -1.285 1
1 1700 . 1 1 1 A 168 168 SER H H 171 7.854 7.836 0.018 1
1 1701 . 1 1 1 A 168 168 SER HA H 171 4.118 4.176 -0.058 1
1 1704 . 1 1 1 A 168 168 SER C C 171 176.409 176.776 -0.367 1
1 1705 . 1 1 1 A 168 168 SER CA C 171 61.999 61.112 0.887 1
1 1706 . 1 1 1 A 168 168 SER CB C 171 64.148 62.853 1.295 1
1 1707 . 1 1 1 A 168 168 SER N N 171 115.446 115.938 -0.492 1
1 1708 . 1 1 1 A 169 169 TYR H H 172 7.531 7.619 -0.088 1
1 1709 . 1 1 1 A 169 169 TYR HA H 172 3.895 4.314 -0.419 1
1 1714 . 1 1 1 A 169 169 TYR CA C 172 60.459 60.994 -0.535 1
1 1715 . 1 1 1 A 169 169 TYR CB C 172 37.004 37.718 -0.714 1
1 1716 . 1 1 1 A 169 169 TYR N N 172 118.887 119.537 -0.650 1
1 1717 . 1 1 1 A 170 170 GLU H H 173 7.552 8.280 -0.728 1
1 1718 . 1 1 1 A 170 170 GLU HA H 173 3.684 3.937 -0.253 1
1 1723 . 1 1 1 A 170 170 GLU C C 173 177.935 178.579 -0.644 1
1 1724 . 1 1 1 A 170 170 GLU CA C 173 60.031 59.807 0.224 1
1 1725 . 1 1 1 A 170 170 GLU CB C 173 29.915 28.947 0.968 1
1 1727 . 1 1 1 A 170 170 GLU N N 173 118.753 119.802 -1.049 1
1 1728 . 1 1 1 A 171 171 LYS H H 174 7.943 7.891 0.052 1
1 1729 . 1 1 1 A 171 171 LYS HA H 174 3.920 4.029 -0.109 1
1 1737 . 1 1 1 A 171 171 LYS C C 174 178.297 179.118 -0.821 1
1 1738 . 1 1 1 A 171 171 LYS CA C 174 59.803 59.365 0.438 1
1 1739 . 1 1 1 A 171 171 LYS CB C 174 32.567 32.036 0.531 1
1 1743 . 1 1 1 A 171 171 LYS N N 174 116.313 119.708 -3.395 1
1 1744 . 1 1 1 A 172 172 LEU H H 175 6.745 8.081 -1.336 1
1 1745 . 1 1 1 A 172 172 LEU HA H 175 4.291 4.084 0.207 1
1 1755 . 1 1 1 A 172 172 LEU C C 175 178.328 179.589 -1.261 1
1 1756 . 1 1 1 A 172 172 LEU CA C 175 56.403 57.497 -1.094 1
1 1757 . 1 1 1 A 172 172 LEU CB C 175 43.397 41.324 2.073 1
1 1761 . 1 1 1 A 172 172 LEU N N 175 116.842 119.458 -2.616 1
1 1762 . 1 1 1 A 173 173 LEU H H 176 7.835 7.948 -0.113 1
1 1763 . 1 1 1 A 173 173 LEU HA H 176 4.443 4.091 0.352 1
1 1766 . 1 1 1 A 173 173 LEU C C 176 178.719 178.198 0.521 1
1 1767 . 1 1 1 A 173 173 LEU CA C 176 57.048 56.174 0.874 1
1 1768 . 1 1 1 A 173 173 LEU CB C 176 42.884 41.731 1.153 1
1 1769 . 1 1 1 A 173 173 LEU N N 176 118.801 120.140 -1.339 1
1 1770 . 1 1 1 A 174 174 LYS H H 177 8.079 8.178 -0.099 1
1 1771 . 1 1 1 A 174 174 LYS C C 177 177.525 179.081 -1.556 1
1 1772 . 1 1 1 A 174 174 LYS CA C 177 59.535 60.096 -0.561 1
1 1773 . 1 1 1 A 174 174 LYS CB C 177 32.586 32.368 0.218 1
1 1774 . 1 1 1 A 174 174 LYS N N 177 118.180 120.069 -1.889 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 154 1.174 1
2 1 1 1 "RMS(OBS, PRED)" CA 161 1.036 1
3 1 1 1 "RMS(OBS, PRED)" CB 155 1.810 1
4 1 1 1 "RMS(OBS, PRED)" H 152 0.744 1
5 1 1 1 "RMS(OBS, PRED)" HA 155 0.325 1
6 1 1 1 "RMS(OBS, PRED)" N 152 2.515 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 22 . 1 1 A 12 12 LYS H H 15 8.030 8.204 -0.174 2
1 23 . 1 1 A 12 12 LYS C C 15 174.210 175.482 -1.272 2
1 24 . 1 1 A 12 12 LYS CA C 15 54.517 54.375 0.142 2
1 25 . 1 1 A 12 12 LYS CB C 15 33.133 33.253 -0.120 2
1 26 . 1 1 A 12 12 LYS N N 15 121.632 119.828 1.804 2
1 27 . 1 1 A 13 13 PRO HA H 16 4.684 4.419 0.265 2
1 30 . 1 1 A 13 13 PRO C C 16 173.687 175.159 -1.472 2
1 31 . 1 1 A 13 13 PRO CA C 16 63.093 63.368 -0.275 2
1 32 . 1 1 A 13 13 PRO CB C 16 32.546 32.293 0.253 2
1 33 . 1 1 A 14 14 LEU H H 17 8.206 8.391 -0.185 2
1 34 . 1 1 A 14 14 LEU HA H 17 4.989 4.925 0.064 2
1 41 . 1 1 A 14 14 LEU C C 17 175.752 174.796 0.956 2
1 42 . 1 1 A 14 14 LEU CA C 17 53.710 53.349 0.361 2
1 43 . 1 1 A 14 14 LEU CB C 17 44.601 44.772 -0.171 2
1 47 . 1 1 A 14 14 LEU N N 17 123.403 124.186 -0.783 2
1 48 . 1 1 A 15 15 VAL H H 18 9.202 8.907 0.295 2
1 49 . 1 1 A 15 15 VAL HA H 18 4.900 4.736 0.164 2
1 57 . 1 1 A 15 15 VAL C C 18 173.778 175.113 -1.335 2
1 58 . 1 1 A 15 15 VAL CA C 18 61.166 61.727 -0.561 2
1 59 . 1 1 A 15 15 VAL CB C 18 33.087 33.360 -0.273 2
1 62 . 1 1 A 15 15 VAL N N 18 129.347 128.558 0.789 2
1 63 . 1 1 A 16 16 VAL H H 19 9.192 8.834 0.358 2
1 64 . 1 1 A 16 16 VAL HA H 19 5.119 4.888 0.231 2
1 72 . 1 1 A 16 16 VAL C C 19 175.302 174.845 0.457 2
1 73 . 1 1 A 16 16 VAL CA C 19 60.241 60.679 -0.438 2
1 74 . 1 1 A 16 16 VAL CB C 19 34.500 34.073 0.427 2
1 77 . 1 1 A 16 16 VAL N N 19 127.361 128.222 -0.861 2
1 78 . 1 1 A 17 17 VAL H H 20 8.562 8.974 -0.412 2
1 79 . 1 1 A 17 17 VAL HA H 20 4.773 4.761 0.012 2
1 87 . 1 1 A 17 17 VAL C C 20 173.850 174.774 -0.924 2
1 88 . 1 1 A 17 17 VAL CA C 20 61.463 60.891 0.572 2
1 89 . 1 1 A 17 17 VAL CB C 20 35.331 34.303 1.028 2
1 92 . 1 1 A 17 17 VAL N N 20 126.104 126.958 -0.854 2
1 93 . 1 1 A 18 18 TYR H H 21 9.115 8.898 0.217 2
1 94 . 1 1 A 18 18 TYR HA H 21 5.139 5.307 -0.168 2
1 97 . 1 1 A 18 18 TYR C C 21 177.289 176.323 0.966 2
1 98 . 1 1 A 18 18 TYR CA C 21 56.065 55.953 0.112 2
1 99 . 1 1 A 18 18 TYR CB C 21 39.703 40.683 -0.980 2
1 100 . 1 1 A 18 18 TYR N N 21 124.796 126.840 -2.044 2
1 101 . 1 1 A 19 19 GLY H H 22 8.393 8.337 0.056 2
1 102 . 1 1 A 19 19 GLY HA2 H 22 4.420 4.317 0.103 2
1 103 . 1 1 A 19 19 GLY HA3 H 22 4.346 4.317 0.029 2
1 104 . 1 1 A 19 19 GLY C C 22 169.974 171.555 -1.581 2
1 105 . 1 1 A 19 19 GLY CA C 22 46.839 46.205 0.634 2
1 106 . 1 1 A 19 19 GLY N N 22 107.914 110.506 -2.592 2
1 107 . 1 1 A 20 20 ASP H H 23 7.174 8.937 -1.763 2
1 108 . 1 1 A 20 20 ASP HA H 23 4.866 5.173 -0.307 2
1 111 . 1 1 A 20 20 ASP C C 23 178.557 175.838 2.719 2
1 112 . 1 1 A 20 20 ASP CA C 23 55.104 53.924 1.180 2
1 113 . 1 1 A 20 20 ASP CB C 23 45.792 44.371 1.421 2
1 114 . 1 1 A 20 20 ASP N N 23 118.998 121.958 -2.960 2
1 115 . 1 1 A 21 21 TYR H H 24 7.849 9.264 -1.415 2
1 116 . 1 1 A 21 21 TYR HA H 24 4.468 4.296 0.172 2
1 119 . 1 1 A 21 21 TYR C C 24 176.006 177.345 -1.339 2
1 120 . 1 1 A 21 21 TYR CA C 24 62.838 60.965 1.873 2
1 121 . 1 1 A 21 21 TYR CB C 24 37.662 37.834 -0.172 2
1 122 . 1 1 A 21 21 TYR N N 24 127.197 125.220 1.977 2
1 123 . 1 1 A 22 22 LYS H H 25 9.779 7.596 2.183 2
1 124 . 1 1 A 22 22 LYS HA H 25 4.938 4.314 0.624 2
1 127 . 1 1 A 22 22 LYS C C 25 176.709 176.778 -0.069 2
1 128 . 1 1 A 22 22 LYS CA C 25 57.053 56.373 0.680 2
1 129 . 1 1 A 22 22 LYS CB C 25 32.201 32.931 -0.730 2
1 130 . 1 1 A 22 22 LYS N N 25 116.190 116.492 -0.302 2
1 131 . 1 1 A 23 23 CYS H H 26 7.553 7.746 -0.193 2
1 132 . 1 1 A 23 23 CYS HA H 26 4.848 4.670 0.178 2
1 135 . 1 1 A 23 23 CYS C C 26 174.972 174.563 0.409 2
1 136 . 1 1 A 23 23 CYS CA C 26 52.998 56.918 -3.920 2
1 137 . 1 1 A 23 23 CYS CB C 26 46.012 29.265 16.747 2
1 138 . 1 1 A 23 23 CYS N N 26 120.749 121.975 -1.226 2
1 139 . 1 1 A 24 24 PRO HA H 27 5.352 4.428 0.924 2
1 144 . 1 1 A 24 24 PRO C C 27 181.072 178.711 2.361 2
1 145 . 1 1 A 24 24 PRO CA C 27 66.067 65.421 0.646 2
1 146 . 1 1 A 24 24 PRO CB C 27 32.590 31.745 0.845 2
1 148 . 1 1 A 25 25 TYR H H 28 9.030 7.581 1.449 2
1 149 . 1 1 A 25 25 TYR HA H 28 4.588 4.218 0.370 2
1 150 . 1 1 A 25 25 TYR C C 28 177.345 178.439 -1.094 2
1 151 . 1 1 A 25 25 TYR CA C 28 60.600 60.987 -0.387 2
1 152 . 1 1 A 25 25 TYR CB C 28 36.339 37.373 -1.034 2
1 153 . 1 1 A 25 25 TYR N N 28 118.697 117.174 1.523 2
1 154 . 1 1 A 26 26 CYS H H 29 8.953 8.248 0.705 2
1 155 . 1 1 A 26 26 CYS HA H 29 4.523 4.170 0.353 2
1 157 . 1 1 A 26 26 CYS C C 29 175.796 176.977 -1.181 2
1 158 . 1 1 A 26 26 CYS CA C 29 63.232 63.447 -0.215 2
1 159 . 1 1 A 26 26 CYS CB C 29 34.862 27.142 7.720 2
1 160 . 1 1 A 26 26 CYS N N 29 119.883 118.882 1.001 2
1 161 . 1 1 A 27 27 LYS H H 30 7.365 7.951 -0.586 2
1 162 . 1 1 A 27 27 LYS HA H 30 3.102 3.951 -0.849 2
1 169 . 1 1 A 27 27 LYS C C 30 176.962 178.590 -1.628 2
1 170 . 1 1 A 27 27 LYS CA C 30 59.303 59.219 0.084 2
1 171 . 1 1 A 27 27 LYS CB C 30 32.506 32.132 0.374 2
1 175 . 1 1 A 27 27 LYS N N 30 123.859 121.992 1.867 2
1 176 . 1 1 A 28 28 GLU H H 31 7.221 8.114 -0.893 2
1 177 . 1 1 A 28 28 GLU HA H 31 4.110 4.062 0.048 2
1 181 . 1 1 A 28 28 GLU C C 31 178.138 179.164 -1.026 2
1 182 . 1 1 A 28 28 GLU CA C 31 59.893 58.959 0.934 2
1 183 . 1 1 A 28 28 GLU CB C 31 29.250 29.683 -0.433 2
1 185 . 1 1 A 28 28 GLU N N 31 118.736 119.753 -1.017 2
1 186 . 1 1 A 29 29 LEU H H 32 7.708 8.167 -0.459 2
1 187 . 1 1 A 29 29 LEU HA H 32 3.968 4.096 -0.128 2
1 197 . 1 1 A 29 29 LEU C C 32 179.190 177.950 1.240 2
1 198 . 1 1 A 29 29 LEU CA C 32 61.341 57.908 3.433 2
1 199 . 1 1 A 29 29 LEU CB C 32 42.558 41.486 1.072 2
1 202 . 1 1 A 29 29 LEU N N 32 120.235 121.876 -1.641 2
1 203 . 1 1 A 30 30 ASP H H 33 7.366 8.186 -0.820 2
1 204 . 1 1 A 30 30 ASP HA H 33 3.942 4.210 -0.268 2
1 207 . 1 1 A 30 30 ASP C C 33 178.480 178.225 0.255 2
1 208 . 1 1 A 30 30 ASP CA C 33 59.235 57.754 1.481 2
1 209 . 1 1 A 30 30 ASP CB C 33 44.233 41.849 2.384 2
1 210 . 1 1 A 30 30 ASP N N 33 121.128 118.675 2.453 2
1 211 . 1 1 A 31 31 GLU H H 34 8.292 8.199 0.093 2
1 212 . 1 1 A 31 31 GLU HA H 34 3.910 4.098 -0.188 2
1 217 . 1 1 A 31 31 GLU C C 34 178.635 179.209 -0.574 2
1 218 . 1 1 A 31 31 GLU CA C 34 59.388 59.105 0.283 2
1 219 . 1 1 A 31 31 GLU CB C 34 30.797 29.332 1.465 2
1 221 . 1 1 A 31 31 GLU N N 34 115.851 118.055 -2.204 2
1 222 . 1 1 A 32 32 LYS H H 35 8.379 7.947 0.432 2
1 223 . 1 1 A 32 32 LYS HA H 35 4.290 4.167 0.123 2
1 231 . 1 1 A 32 32 LYS C C 35 178.880 178.280 0.600 2
1 232 . 1 1 A 32 32 LYS CA C 35 58.816 58.594 0.222 2
1 233 . 1 1 A 32 32 LYS CB C 35 34.896 33.061 1.835 2
1 237 . 1 1 A 32 32 LYS N N 35 115.076 118.567 -3.491 2
1 238 . 1 1 A 33 33 VAL H H 36 8.622 7.600 1.022 2
1 239 . 1 1 A 33 33 VAL HA H 36 4.043 3.883 0.160 2
1 247 . 1 1 A 33 33 VAL C C 36 176.506 177.918 -1.412 2
1 248 . 1 1 A 33 33 VAL CA C 36 64.847 64.873 -0.026 2
1 249 . 1 1 A 33 33 VAL CB C 36 34.128 31.875 2.253 2
1 252 . 1 1 A 33 33 VAL N N 36 118.082 119.377 -1.295 2
1 253 . 1 1 A 34 34 MET H H 37 7.025 8.255 -1.230 2
1 254 . 1 1 A 34 34 MET HA H 37 4.515 4.132 0.383 2
1 262 . 1 1 A 34 34 MET C C 37 175.195 176.313 -1.118 2
1 263 . 1 1 A 34 34 MET CA C 37 57.901 59.014 -1.113 2
1 264 . 1 1 A 34 34 MET CB C 37 27.983 30.892 -2.909 2
1 267 . 1 1 A 34 34 MET N N 37 116.417 117.627 -1.210 2
1 268 . 1 1 A 35 35 PRO HA H 38 4.122 4.232 -0.110 2
1 272 . 1 1 A 35 35 PRO C C 38 180.245 179.457 0.788 2
1 273 . 1 1 A 35 35 PRO CA C 38 67.185 66.211 0.974 2
1 274 . 1 1 A 35 35 PRO CB C 38 31.199 30.584 0.615 2
1 275 . 1 1 A 36 36 LYS H H 39 7.236 8.311 -1.075 2
1 276 . 1 1 A 36 36 LYS HA H 39 3.826 4.006 -0.180 2
1 282 . 1 1 A 36 36 LYS C C 39 178.470 178.924 -0.454 2
1 283 . 1 1 A 36 36 LYS CA C 39 59.299 58.784 0.515 2
1 284 . 1 1 A 36 36 LYS CB C 39 32.409 31.323 1.086 2
1 288 . 1 1 A 36 36 LYS N N 39 115.917 117.858 -1.941 2
1 289 . 1 1 A 37 37 LEU H H 40 8.189 8.175 0.014 2
1 290 . 1 1 A 37 37 LEU HA H 40 4.346 4.058 0.288 2
1 300 . 1 1 A 37 37 LEU C C 40 180.553 178.437 2.116 2
1 301 . 1 1 A 37 37 LEU CA C 40 58.728 57.827 0.901 2
1 302 . 1 1 A 37 37 LEU CB C 40 43.124 41.625 1.499 2
1 306 . 1 1 A 37 37 LEU N N 40 121.481 121.160 0.321 2
1 307 . 1 1 A 38 38 ARG H H 41 9.552 7.872 1.680 2
1 308 . 1 1 A 38 38 ARG HA H 41 3.920 3.913 0.007 2
1 314 . 1 1 A 38 38 ARG C C 41 177.333 178.676 -1.343 2
1 315 . 1 1 A 38 38 ARG CA C 41 60.559 59.764 0.795 2
1 316 . 1 1 A 38 38 ARG CB C 41 30.225 29.729 0.496 2
1 319 . 1 1 A 38 38 ARG N N 41 119.091 118.724 0.367 2
1 320 . 1 1 A 39 39 LYS H H 42 7.175 7.963 -0.788 2
1 321 . 1 1 A 39 39 LYS HA H 42 4.038 4.048 -0.010 2
1 328 . 1 1 A 39 39 LYS C C 42 177.468 178.714 -1.246 2
1 329 . 1 1 A 39 39 LYS CA C 42 58.827 59.351 -0.524 2
1 330 . 1 1 A 39 39 LYS CB C 42 32.964 32.242 0.722 2
1 334 . 1 1 A 39 39 LYS N N 42 116.804 119.236 -2.432 2
1 335 . 1 1 A 40 40 ASN H H 43 7.840 8.106 -0.266 2
1 336 . 1 1 A 40 40 ASN HA H 43 4.449 4.652 -0.203 2
1 339 . 1 1 A 40 40 ASN C C 43 175.978 175.481 0.497 2
1 340 . 1 1 A 40 40 ASN CA C 43 55.084 54.250 0.834 2
1 341 . 1 1 A 40 40 ASN CB C 43 40.605 39.061 1.544 2
1 342 . 1 1 A 40 40 ASN N N 43 111.293 115.846 -4.553 2
1 343 . 1 1 A 41 41 TYR H H 44 7.945 7.793 0.152 2
1 344 . 1 1 A 41 41 TYR HA H 44 5.147 4.736 0.411 2
1 347 . 1 1 A 41 41 TYR C C 44 175.226 176.521 -1.295 2
1 348 . 1 1 A 41 41 TYR CA C 44 61.077 58.807 2.270 2
1 349 . 1 1 A 41 41 TYR CB C 44 42.100 40.404 1.696 2
1 350 . 1 1 A 41 41 TYR N N 44 115.379 116.868 -1.489 2
1 351 . 1 1 A 42 42 ILE H H 45 8.011 7.934 0.077 2
1 352 . 1 1 A 42 42 ILE HA H 45 4.318 3.894 0.424 2
1 362 . 1 1 A 42 42 ILE C C 45 179.972 178.062 1.910 2
1 363 . 1 1 A 42 42 ILE CA C 45 64.837 63.538 1.299 2
1 364 . 1 1 A 42 42 ILE CB C 45 39.800 38.016 1.784 2
1 368 . 1 1 A 42 42 ILE N N 45 117.813 120.871 -3.058 2
1 369 . 1 1 A 43 43 ASP H H 46 9.401 8.390 1.011 2
1 370 . 1 1 A 43 43 ASP HA H 46 4.388 4.338 0.050 2
1 372 . 1 1 A 43 43 ASP C C 46 176.373 177.371 -0.998 2
1 373 . 1 1 A 43 43 ASP CA C 46 57.221 57.124 0.097 2
1 374 . 1 1 A 43 43 ASP CB C 46 39.936 40.275 -0.339 2
1 375 . 1 1 A 43 43 ASP N N 46 122.858 119.305 3.553 2
1 376 . 1 1 A 44 44 ASN H H 47 7.622 7.971 -0.349 2
1 377 . 1 1 A 44 44 ASN HA H 47 4.564 4.612 -0.048 2
1 380 . 1 1 A 44 44 ASN C C 47 175.348 174.678 0.670 2
1 381 . 1 1 A 44 44 ASN CA C 47 51.920 51.941 -0.021 2
1 382 . 1 1 A 44 44 ASN CB C 47 36.945 37.225 -0.280 2
1 383 . 1 1 A 44 44 ASN N N 47 112.790 113.700 -0.910 2
1 384 . 1 1 A 45 45 HIS H H 48 7.835 8.199 -0.364 2
1 385 . 1 1 A 45 45 HIS HA H 48 4.438 4.214 0.224 2
1 387 . 1 1 A 45 45 HIS C C 48 174.778 174.924 -0.146 2
1 388 . 1 1 A 45 45 HIS CA C 48 57.063 56.893 0.170 2
1 389 . 1 1 A 45 45 HIS CB C 48 27.295 26.812 0.483 2
1 390 . 1 1 A 45 45 HIS N N 48 111.460 113.887 -2.427 2
1 391 . 1 1 A 46 46 LYS H H 49 8.055 8.112 -0.057 2
1 392 . 1 1 A 46 46 LYS HA H 49 4.419 4.130 0.289 2
1 398 . 1 1 A 46 46 LYS C C 49 176.892 176.664 0.228 2
1 399 . 1 1 A 46 46 LYS CA C 49 58.975 57.655 1.320 2
1 400 . 1 1 A 46 46 LYS CB C 49 34.524 33.143 1.381 2
1 404 . 1 1 A 46 46 LYS N N 49 117.152 117.858 -0.706 2
1 405 . 1 1 A 47 47 VAL H H 50 7.667 7.352 0.315 2
1 406 . 1 1 A 47 47 VAL HA H 50 4.790 4.871 -0.081 2
1 414 . 1 1 A 47 47 VAL C C 50 174.447 174.338 0.109 2
1 415 . 1 1 A 47 47 VAL CA C 50 58.194 58.646 -0.452 2
1 416 . 1 1 A 47 47 VAL CB C 50 35.244 35.594 -0.350 2
1 419 . 1 1 A 47 47 VAL N N 50 107.915 112.933 -5.018 2
1 420 . 1 1 A 48 48 GLU H H 51 8.876 8.571 0.305 2
1 421 . 1 1 A 48 48 GLU HA H 51 4.713 4.925 -0.212 2
1 426 . 1 1 A 48 48 GLU C C 51 174.007 174.534 -0.527 2
1 427 . 1 1 A 48 48 GLU CA C 51 55.293 55.036 0.257 2
1 428 . 1 1 A 48 48 GLU CB C 51 32.104 31.702 0.402 2
1 430 . 1 1 A 48 48 GLU N N 51 121.671 120.818 0.853 2
1 431 . 1 1 A 49 49 TYR H H 52 8.696 8.717 -0.021 2
1 432 . 1 1 A 49 49 TYR HA H 52 5.772 5.306 0.466 2
1 436 . 1 1 A 49 49 TYR C C 52 173.972 174.240 -0.268 2
1 437 . 1 1 A 49 49 TYR CA C 52 55.337 56.634 -1.297 2
1 438 . 1 1 A 49 49 TYR CB C 52 42.605 42.183 0.422 2
1 439 . 1 1 A 49 49 TYR N N 52 125.089 125.448 -0.359 2
1 440 . 1 1 A 50 50 GLN H H 53 8.836 8.793 0.043 2
1 441 . 1 1 A 50 50 GLN HA H 53 4.240 4.969 -0.729 2
1 446 . 1 1 A 50 50 GLN C C 53 171.478 173.066 -1.588 2
1 447 . 1 1 A 50 50 GLN CA C 53 54.212 54.329 -0.117 2
1 448 . 1 1 A 50 50 GLN CB C 53 32.631 32.351 0.280 2
1 450 . 1 1 A 50 50 GLN N N 53 130.663 126.890 3.773 2
1 451 . 1 1 A 51 51 PHE H H 54 8.360 8.848 -0.488 2
1 452 . 1 1 A 51 51 PHE HA H 54 5.377 5.324 0.053 2
1 456 . 1 1 A 51 51 PHE C C 54 175.238 173.509 1.729 2
1 457 . 1 1 A 51 51 PHE CA C 54 54.944 56.159 -1.215 2
1 458 . 1 1 A 51 51 PHE CB C 54 40.727 41.343 -0.616 2
1 459 . 1 1 A 51 51 PHE N N 54 126.291 127.680 -1.389 2
1 460 . 1 1 A 52 52 VAL H H 55 8.748 9.166 -0.418 2
1 461 . 1 1 A 52 52 VAL HA H 55 3.824 4.604 -0.780 2
1 469 . 1 1 A 52 52 VAL C C 55 172.580 173.774 -1.194 2
1 470 . 1 1 A 52 52 VAL CA C 55 61.264 61.163 0.101 2
1 471 . 1 1 A 52 52 VAL CB C 55 32.646 32.523 0.123 2
1 474 . 1 1 A 52 52 VAL N N 55 132.361 127.202 5.159 2
1 475 . 1 1 A 53 53 ASN H H 56 9.035 8.850 0.185 2
1 476 . 1 1 A 53 53 ASN HA H 56 4.739 4.865 -0.126 2
1 480 . 1 1 A 53 53 ASN C C 56 175.730 176.145 -0.415 2
1 481 . 1 1 A 53 53 ASN CA C 56 50.575 52.127 -1.552 2
1 482 . 1 1 A 53 53 ASN CB C 56 40.033 38.510 1.523 2
1 483 . 1 1 A 53 53 ASN N N 56 127.299 126.579 0.720 2
1 485 . 1 1 A 54 54 LEU H H 57 8.704 8.719 -0.015 2
1 486 . 1 1 A 54 54 LEU HA H 57 3.721 4.109 -0.388 2
1 496 . 1 1 A 54 54 LEU C C 57 177.107 176.394 0.713 2
1 497 . 1 1 A 54 54 LEU CA C 57 59.804 56.488 3.316 2
1 498 . 1 1 A 54 54 LEU CB C 57 44.479 41.994 2.485 2
1 501 . 1 1 A 54 54 LEU N N 57 127.208 126.492 0.716 2
1 502 . 1 1 A 55 55 ALA H H 58 9.084 7.936 1.148 2
1 503 . 1 1 A 55 55 ALA HA H 58 4.178 4.020 0.158 2
1 507 . 1 1 A 55 55 ALA C C 58 176.891 177.360 -0.469 2
1 508 . 1 1 A 55 55 ALA CA C 58 52.862 53.078 -0.216 2
1 509 . 1 1 A 55 55 ALA CB C 58 17.556 17.189 0.367 2
1 510 . 1 1 A 55 55 ALA N N 58 119.827 121.115 -1.288 2
1 511 . 1 1 A 56 56 PHE H H 59 8.605 8.286 0.319 2
1 512 . 1 1 A 56 56 PHE HA H 59 5.219 4.633 0.586 2
1 518 . 1 1 A 56 56 PHE C C 59 176.442 176.085 0.357 2
1 519 . 1 1 A 56 56 PHE CA C 59 56.354 57.034 -0.680 2
1 520 . 1 1 A 56 56 PHE CB C 59 41.105 40.223 0.882 2
1 521 . 1 1 A 56 56 PHE N N 59 116.136 113.656 2.480 2
1 522 . 1 1 A 57 57 LEU H H 60 7.595 7.831 -0.236 2
1 523 . 1 1 A 57 57 LEU HA H 60 4.216 4.475 -0.259 2
1 533 . 1 1 A 57 57 LEU C C 60 175.790 175.733 0.057 2
1 534 . 1 1 A 57 57 LEU CA C 60 55.128 54.044 1.084 2
1 535 . 1 1 A 57 57 LEU CB C 60 41.514 41.802 -0.288 2
1 539 . 1 1 A 57 57 LEU N N 60 125.753 118.777 6.976 2
1 540 . 1 1 A 58 58 GLY H H 61 7.503 7.319 0.184 2
1 541 . 1 1 A 58 58 GLY HA2 H 61 4.307 4.117 0.190 2
1 542 . 1 1 A 58 58 GLY HA3 H 61 4.056 4.117 -0.061 2
1 543 . 1 1 A 58 58 GLY C C 61 175.749 174.448 1.301 2
1 544 . 1 1 A 58 58 GLY CA C 61 44.211 44.521 -0.310 2
1 545 . 1 1 A 58 58 GLY N N 61 105.922 107.406 -1.484 2
1 546 . 1 1 A 59 59 LYS HA H 62 4.087 4.096 -0.009 2
1 551 . 1 1 A 59 59 LYS C C 62 176.638 176.890 -0.252 2
1 552 . 1 1 A 59 59 LYS CA C 62 59.222 58.568 0.654 2
1 553 . 1 1 A 59 59 LYS CB C 62 32.449 31.971 0.478 2
1 557 . 1 1 A 60 60 ASP H H 63 10.084 8.234 1.850 2
1 558 . 1 1 A 60 60 ASP HA H 63 4.298 4.430 -0.132 2
1 561 . 1 1 A 60 60 ASP C C 63 177.740 178.326 -0.586 2
1 562 . 1 1 A 60 60 ASP CA C 63 54.318 55.120 -0.802 2
1 563 . 1 1 A 60 60 ASP CB C 63 38.753 40.427 -1.674 2
1 564 . 1 1 A 60 60 ASP N N 63 114.729 120.265 -5.536 2
1 565 . 1 1 A 61 61 SER H H 64 7.352 8.183 -0.831 2
1 566 . 1 1 A 61 61 SER HA H 64 3.846 4.071 -0.225 2
1 569 . 1 1 A 61 61 SER C C 64 178.103 175.823 2.280 2
1 570 . 1 1 A 61 61 SER CA C 64 63.772 62.364 1.408 2
1 571 . 1 1 A 61 61 SER CB C 64 62.417 63.104 -0.687 2
1 572 . 1 1 A 61 61 SER N N 64 117.760 117.520 0.240 2
1 573 . 1 1 A 62 62 ILE H H 65 7.830 8.035 -0.205 2
1 574 . 1 1 A 62 62 ILE HA H 65 4.031 3.813 0.218 2
1 584 . 1 1 A 62 62 ILE C C 65 175.054 178.041 -2.987 2
1 585 . 1 1 A 62 62 ILE CA C 65 60.987 63.637 -2.650 2
1 586 . 1 1 A 62 62 ILE CB C 65 38.516 37.565 0.951 2
1 590 . 1 1 A 62 62 ILE N N 65 118.957 121.198 -2.241 2
1 591 . 1 1 A 63 63 VAL H H 66 6.913 8.174 -1.261 2
1 592 . 1 1 A 63 63 VAL HA H 66 3.529 3.680 -0.151 2
1 597 . 1 1 A 63 63 VAL C C 66 178.325 177.982 0.343 2
1 598 . 1 1 A 63 63 VAL CA C 66 66.898 66.201 0.697 2
1 599 . 1 1 A 63 63 VAL CB C 66 30.931 31.534 -0.603 2
1 602 . 1 1 A 63 63 VAL N N 66 125.564 121.357 4.207 2
1 603 . 1 1 A 64 64 GLY H H 67 7.311 8.267 -0.956 2
1 604 . 1 1 A 64 64 GLY HA2 H 67 3.692 3.795 -0.103 2
1 605 . 1 1 A 64 64 GLY HA3 H 67 3.428 3.795 -0.367 2
1 606 . 1 1 A 64 64 GLY C C 67 174.370 176.134 -1.764 2
1 607 . 1 1 A 64 64 GLY CA C 67 47.673 47.409 0.264 2
1 608 . 1 1 A 64 64 GLY N N 67 101.355 107.923 -6.568 2
1 609 . 1 1 A 65 65 SER H H 68 7.819 8.184 -0.365 2
1 610 . 1 1 A 65 65 SER HA H 68 4.645 4.154 0.491 2
1 612 . 1 1 A 65 65 SER C C 68 177.651 177.438 0.213 2
1 613 . 1 1 A 65 65 SER CA C 68 59.767 61.435 -1.668 2
1 614 . 1 1 A 65 65 SER CB C 68 64.467 62.922 1.545 2
1 615 . 1 1 A 65 65 SER N N 68 113.236 116.972 -3.736 2
1 616 . 1 1 A 66 66 ARG H H 69 8.526 7.960 0.566 2
1 617 . 1 1 A 66 66 ARG HA H 69 3.851 4.031 -0.180 2
1 623 . 1 1 A 66 66 ARG C C 69 177.976 178.743 -0.767 2
1 624 . 1 1 A 66 66 ARG CA C 69 60.509 59.597 0.912 2
1 625 . 1 1 A 66 66 ARG CB C 69 31.863 30.349 1.514 2
1 628 . 1 1 A 66 66 ARG N N 69 118.679 121.891 -3.212 2
1 629 . 1 1 A 67 67 ALA H H 70 7.823 7.956 -0.133 2
1 630 . 1 1 A 67 67 ALA HA H 70 3.521 4.089 -0.568 2
1 634 . 1 1 A 67 67 ALA C C 70 177.880 179.994 -2.114 2
1 635 . 1 1 A 67 67 ALA CA C 70 55.941 54.852 1.089 2
1 636 . 1 1 A 67 67 ALA CB C 70 18.200 17.386 0.814 2
1 637 . 1 1 A 67 67 ALA N N 70 120.015 122.283 -2.268 2
1 638 . 1 1 A 68 68 SER H H 71 7.924 7.987 -0.063 2
1 639 . 1 1 A 68 68 SER HA H 71 4.039 4.162 -0.123 2
1 641 . 1 1 A 68 68 SER C C 71 176.697 177.751 -1.054 2
1 642 . 1 1 A 68 68 SER CA C 71 61.296 61.600 -0.304 2
1 643 . 1 1 A 68 68 SER CB C 71 63.833 63.322 0.511 2
1 644 . 1 1 A 68 68 SER N N 71 109.625 113.488 -3.863 2
1 645 . 1 1 A 69 69 HIS H H 72 8.869 7.939 0.930 2
1 646 . 1 1 A 69 69 HIS HA H 72 4.244 4.386 -0.142 2
1 650 . 1 1 A 69 69 HIS C C 72 178.019 177.633 0.386 2
1 651 . 1 1 A 69 69 HIS CA C 72 61.611 59.089 2.522 2
1 652 . 1 1 A 69 69 HIS CB C 72 31.669 29.195 2.474 2
1 653 . 1 1 A 69 69 HIS N N 72 117.919 119.282 -1.363 2
1 654 . 1 1 A 70 70 ALA H H 73 8.601 8.272 0.329 2
1 655 . 1 1 A 70 70 ALA HA H 73 4.257 3.907 0.350 2
1 659 . 1 1 A 70 70 ALA C C 73 178.923 179.877 -0.954 2
1 660 . 1 1 A 70 70 ALA CA C 73 55.998 55.118 0.880 2
1 661 . 1 1 A 70 70 ALA CB C 73 19.548 18.414 1.134 2
1 662 . 1 1 A 70 70 ALA N N 73 123.968 122.330 1.638 2
1 663 . 1 1 A 71 71 VAL H H 74 8.133 8.018 0.115 2
1 664 . 1 1 A 71 71 VAL HA H 74 3.325 3.530 -0.205 2
1 672 . 1 1 A 71 71 VAL C C 74 177.088 177.862 -0.774 2
1 673 . 1 1 A 71 71 VAL CA C 74 67.379 67.564 -0.185 2
1 674 . 1 1 A 71 71 VAL CB C 74 31.488 31.133 0.355 2
1 677 . 1 1 A 71 71 VAL N N 74 119.722 118.512 1.210 2
1 678 . 1 1 A 72 72 LEU H H 75 8.136 8.203 -0.067 2
1 679 . 1 1 A 72 72 LEU HA H 75 3.672 3.925 -0.253 2
1 689 . 1 1 A 72 72 LEU C C 75 177.734 178.364 -0.630 2
1 690 . 1 1 A 72 72 LEU CA C 75 58.434 58.011 0.423 2
1 691 . 1 1 A 72 72 LEU CB C 75 41.318 40.839 0.479 2
1 694 . 1 1 A 72 72 LEU N N 75 118.528 119.766 -1.238 2
1 695 . 1 1 A 73 73 MET H H 76 7.872 8.291 -0.419 2
1 696 . 1 1 A 73 73 MET HA H 76 3.952 4.221 -0.269 2
1 704 . 1 1 A 73 73 MET C C 76 178.118 176.792 1.326 2
1 705 . 1 1 A 73 73 MET CA C 76 58.409 57.639 0.770 2
1 706 . 1 1 A 73 73 MET CB C 76 33.210 32.143 1.067 2
1 709 . 1 1 A 73 73 MET N N 76 112.992 116.288 -3.296 2
1 710 . 1 1 A 74 74 TYR H H 77 7.727 7.701 0.026 2
1 711 . 1 1 A 74 74 TYR HA H 77 4.857 4.599 0.258 2
1 716 . 1 1 A 74 74 TYR C C 77 175.564 176.384 -0.820 2
1 717 . 1 1 A 74 74 TYR CA C 77 58.603 58.787 -0.184 2
1 718 . 1 1 A 74 74 TYR CB C 77 39.098 40.534 -1.436 2
1 719 . 1 1 A 74 74 TYR N N 77 114.989 118.679 -3.690 2
1 720 . 1 1 A 75 75 ALA H H 78 9.155 7.861 1.294 2
1 721 . 1 1 A 75 75 ALA HA H 78 4.974 4.830 0.144 2
1 725 . 1 1 A 75 75 ALA CA C 78 50.824 49.977 0.847 2
1 726 . 1 1 A 75 75 ALA CB C 78 20.141 19.178 0.963 2
1 727 . 1 1 A 75 75 ALA N N 78 124.641 121.873 2.768 2
1 728 . 1 1 A 76 76 PRO HA H 79 4.388 4.335 0.053 2
1 735 . 1 1 A 76 76 PRO C C 79 180.492 178.439 2.053 2
1 736 . 1 1 A 76 76 PRO CA C 79 65.938 65.311 0.627 2
1 737 . 1 1 A 76 76 PRO CB C 79 31.146 31.965 -0.819 2
1 740 . 1 1 A 77 77 LYS H H 80 8.712 8.540 0.172 2
1 741 . 1 1 A 77 77 LYS HA H 80 4.339 4.135 0.204 2
1 746 . 1 1 A 77 77 LYS C C 80 178.352 177.462 0.890 2
1 747 . 1 1 A 77 77 LYS CA C 80 59.081 58.566 0.515 2
1 748 . 1 1 A 77 77 LYS CB C 80 31.729 32.068 -0.339 2
1 751 . 1 1 A 77 77 LYS N N 80 117.143 117.727 -0.584 2
1 752 . 1 1 A 78 78 SER H H 81 8.434 7.847 0.587 2
1 753 . 1 1 A 78 78 SER HA H 81 4.667 4.624 0.043 2
1 755 . 1 1 A 78 78 SER C C 81 174.307 175.006 -0.699 2
1 756 . 1 1 A 78 78 SER CA C 81 59.893 58.715 1.178 2
1 757 . 1 1 A 78 78 SER CB C 81 64.803 64.292 0.511 2
1 758 . 1 1 A 78 78 SER N N 81 115.283 113.691 1.592 2
1 759 . 1 1 A 79 79 PHE H H 82 7.595 7.871 -0.276 2
1 760 . 1 1 A 79 79 PHE HA H 82 4.170 4.129 0.041 2
1 765 . 1 1 A 79 79 PHE C C 82 175.986 177.127 -1.141 2
1 766 . 1 1 A 79 79 PHE CA C 82 62.317 61.765 0.552 2
1 767 . 1 1 A 79 79 PHE CB C 82 40.569 39.400 1.169 2
1 768 . 1 1 A 79 79 PHE N N 82 121.139 123.045 -1.906 2
1 769 . 1 1 A 80 80 LEU H H 83 8.619 8.548 0.071 2
1 770 . 1 1 A 80 80 LEU HA H 83 3.832 3.891 -0.059 2
1 780 . 1 1 A 80 80 LEU C C 83 180.208 179.060 1.148 2
1 781 . 1 1 A 80 80 LEU CA C 83 58.609 57.582 1.027 2
1 782 . 1 1 A 80 80 LEU CB C 83 39.992 40.761 -0.769 2
1 786 . 1 1 A 80 80 LEU N N 83 118.589 119.584 -0.995 2
1 787 . 1 1 A 81 81 ASP H H 84 8.033 8.158 -0.125 2
1 788 . 1 1 A 81 81 ASP HA H 84 4.430 4.306 0.124 2
1 790 . 1 1 A 81 81 ASP C C 84 177.856 178.612 -0.756 2
1 791 . 1 1 A 81 81 ASP CA C 84 57.676 57.351 0.325 2
1 792 . 1 1 A 81 81 ASP CB C 84 40.062 40.423 -0.361 2
1 793 . 1 1 A 81 81 ASP N N 84 120.756 120.534 0.222 2
1 794 . 1 1 A 82 82 PHE H H 85 8.156 8.129 0.027 2
1 795 . 1 1 A 82 82 PHE HA H 85 4.050 4.072 -0.022 2
1 799 . 1 1 A 82 82 PHE C C 85 177.101 177.141 -0.040 2
1 800 . 1 1 A 82 82 PHE CA C 85 61.486 61.360 0.126 2
1 801 . 1 1 A 82 82 PHE CB C 85 39.199 39.151 0.048 2
1 802 . 1 1 A 82 82 PHE N N 85 121.307 121.765 -0.458 2
1 803 . 1 1 A 83 83 GLN H H 86 8.501 8.253 0.248 2
1 804 . 1 1 A 83 83 GLN HA H 86 3.406 3.913 -0.507 2
1 811 . 1 1 A 83 83 GLN C C 86 176.912 178.452 -1.540 2
1 812 . 1 1 A 83 83 GLN CA C 86 60.616 58.627 1.989 2
1 813 . 1 1 A 83 83 GLN CB C 86 29.919 28.174 1.745 2
1 815 . 1 1 A 83 83 GLN N N 86 117.731 117.660 0.071 2
1 817 . 1 1 A 84 84 LYS H H 87 7.710 7.928 -0.218 2
1 818 . 1 1 A 84 84 LYS HA H 87 4.419 3.986 0.433 2
1 824 . 1 1 A 84 84 LYS C C 87 180.050 178.787 1.263 2
1 825 . 1 1 A 84 84 LYS CA C 87 59.004 59.756 -0.752 2
1 826 . 1 1 A 84 84 LYS CB C 87 32.406 32.326 0.080 2
1 830 . 1 1 A 84 84 LYS N N 87 117.910 120.048 -2.138 2
1 831 . 1 1 A 85 85 GLN H H 88 7.708 7.889 -0.181 2
1 832 . 1 1 A 85 85 GLN HA H 88 4.011 4.043 -0.032 2
1 839 . 1 1 A 85 85 GLN C C 88 177.926 178.644 -0.718 2
1 840 . 1 1 A 85 85 GLN CA C 88 58.084 58.603 -0.519 2
1 841 . 1 1 A 85 85 GLN CB C 88 28.724 28.025 0.699 2
1 843 . 1 1 A 85 85 GLN N N 88 116.720 118.915 -2.195 2
1 845 . 1 1 A 86 86 LEU H H 89 7.817 7.876 -0.059 2
1 846 . 1 1 A 86 86 LEU HA H 89 3.823 4.055 -0.232 2
1 856 . 1 1 A 86 86 LEU C C 89 179.228 178.571 0.657 2
1 857 . 1 1 A 86 86 LEU CA C 89 57.534 57.379 0.155 2
1 858 . 1 1 A 86 86 LEU CB C 89 40.703 40.981 -0.278 2
1 861 . 1 1 A 86 86 LEU N N 89 122.521 121.598 0.923 2
1 862 . 1 1 A 87 87 PHE H H 90 8.171 8.135 0.036 2
1 863 . 1 1 A 87 87 PHE HA H 90 4.481 4.345 0.136 2
1 866 . 1 1 A 87 87 PHE C C 90 179.080 178.503 0.577 2
1 867 . 1 1 A 87 87 PHE CA C 90 63.083 60.706 2.377 2
1 868 . 1 1 A 87 87 PHE CB C 90 38.940 37.876 1.064 2
1 869 . 1 1 A 87 87 PHE N N 90 115.576 117.865 -2.289 2
1 870 . 1 1 A 88 88 ALA H H 91 7.670 8.241 -0.571 2
1 871 . 1 1 A 88 88 ALA HA H 91 4.147 4.129 0.018 2
1 875 . 1 1 A 88 88 ALA C C 91 178.721 178.721 0.000 2
1 876 . 1 1 A 88 88 ALA CA C 91 54.410 54.512 -0.102 2
1 877 . 1 1 A 88 88 ALA CB C 91 18.243 18.184 0.059 2
1 878 . 1 1 A 88 88 ALA N N 91 117.596 121.894 -4.298 2
1 879 . 1 1 A 89 89 ALA H H 92 7.287 7.667 -0.380 2
1 880 . 1 1 A 89 89 ALA HA H 92 4.231 4.425 -0.194 2
1 884 . 1 1 A 89 89 ALA C C 92 175.668 176.961 -1.293 2
1 885 . 1 1 A 89 89 ALA CA C 92 51.074 51.569 -0.495 2
1 886 . 1 1 A 89 89 ALA CB C 92 19.669 19.379 0.290 2
1 887 . 1 1 A 89 89 ALA N N 92 120.522 118.890 1.632 2
1 888 . 1 1 A 90 90 GLN H H 93 6.925 7.645 -0.720 2
1 889 . 1 1 A 90 90 GLN HA H 93 2.241 4.061 -1.820 2
1 896 . 1 1 A 90 90 GLN CA C 93 57.876 55.992 1.884 2
1 897 . 1 1 A 90 90 GLN CB C 93 31.780 29.308 2.472 2
1 899 . 1 1 A 90 90 GLN N N 93 117.565 119.936 -2.371 2
1 901 . 1 1 A 91 91 GLN H H 94 3.505 8.670 -5.165 2
1 902 . 1 1 A 91 91 GLN HA H 94 4.311 4.759 -0.448 2
1 905 . 1 1 A 91 91 GLN C C 94 173.912 174.618 -0.706 2
1 906 . 1 1 A 91 91 GLN CA C 94 53.106 53.648 -0.542 2
1 907 . 1 1 A 91 91 GLN CB C 94 30.546 31.399 -0.853 2
1 909 . 1 1 A 91 91 GLN N N 94 123.498 123.610 -0.112 2
1 910 . 1 1 A 92 92 ASP H H 95 7.734 8.536 -0.802 2
1 911 . 1 1 A 92 92 ASP HA H 95 4.370 4.426 -0.056 2
1 913 . 1 1 A 92 92 ASP C C 95 176.572 177.542 -0.970 2
1 914 . 1 1 A 92 92 ASP CA C 95 55.800 54.826 0.974 2
1 915 . 1 1 A 92 92 ASP CB C 95 42.920 42.039 0.881 2
1 916 . 1 1 A 92 92 ASP N N 95 120.454 121.860 -1.406 2
1 917 . 1 1 A 93 93 GLU H H 96 9.066 8.856 0.210 2
1 918 . 1 1 A 93 93 GLU HA H 96 4.345 4.029 0.316 2
1 921 . 1 1 A 93 93 GLU C C 96 176.572 177.400 -0.828 2
1 922 . 1 1 A 93 93 GLU CA C 96 59.286 58.574 0.712 2
1 923 . 1 1 A 93 93 GLU CB C 96 30.641 29.197 1.444 2
1 925 . 1 1 A 93 93 GLU N N 96 122.596 125.375 -2.779 2
1 926 . 1 1 A 94 94 ASN H H 97 8.442 8.055 0.387 2
1 927 . 1 1 A 94 94 ASN HA H 97 4.707 4.814 -0.107 2
1 929 . 1 1 A 94 94 ASN C C 97 175.569 175.978 -0.409 2
1 930 . 1 1 A 94 94 ASN CA C 97 53.899 54.231 -0.332 2
1 931 . 1 1 A 94 94 ASN CB C 97 38.879 39.118 -0.239 2
1 932 . 1 1 A 94 94 ASN N N 97 115.180 117.290 -2.110 2
1 933 . 1 1 A 95 95 LYS H H 98 8.163 7.842 0.321 2
1 934 . 1 1 A 95 95 LYS C C 98 176.981 176.563 0.418 2
1 935 . 1 1 A 95 95 LYS CA C 98 55.198 54.992 0.206 2
1 936 . 1 1 A 95 95 LYS CB C 98 34.612 34.150 0.462 2
1 937 . 1 1 A 95 95 LYS N N 98 120.987 118.646 2.341 2
1 938 . 1 1 A 96 96 GLU H H 99 8.681 8.954 -0.273 2
1 939 . 1 1 A 96 96 GLU HA H 99 4.520 4.490 0.030 2
1 943 . 1 1 A 96 96 GLU C C 99 175.659 177.280 -1.621 2
1 944 . 1 1 A 96 96 GLU CA C 99 55.302 55.185 0.117 2
1 945 . 1 1 A 96 96 GLU CB C 99 27.808 27.749 0.059 2
1 947 . 1 1 A 96 96 GLU N N 99 125.290 123.150 2.140 2
1 948 . 1 1 A 97 97 TRP H H 100 7.386 7.773 -0.387 2
1 949 . 1 1 A 97 97 TRP HA H 100 4.753 4.587 0.166 2
1 953 . 1 1 A 97 97 TRP C C 100 176.942 176.890 0.052 2
1 954 . 1 1 A 97 97 TRP CA C 100 55.907 58.767 -2.860 2
1 955 . 1 1 A 97 97 TRP CB C 100 29.937 28.521 1.416 2
1 956 . 1 1 A 97 97 TRP N N 100 120.006 121.617 -1.611 2
1 958 . 1 1 A 98 98 LEU H H 101 8.984 7.719 1.265 2
1 959 . 1 1 A 98 98 LEU HA H 101 3.927 4.472 -0.545 2
1 969 . 1 1 A 98 98 LEU C C 101 174.865 175.330 -0.465 2
1 970 . 1 1 A 98 98 LEU CA C 101 54.212 53.636 0.576 2
1 971 . 1 1 A 98 98 LEU CB C 101 39.504 39.300 0.204 2
1 975 . 1 1 A 98 98 LEU N N 101 129.790 121.131 8.659 2
1 976 . 1 1 A 99 99 THR H H 102 7.356 8.105 -0.749 2
1 977 . 1 1 A 99 99 THR HA H 102 4.490 4.668 -0.178 2
1 979 . 1 1 A 99 99 THR C C 102 175.227 176.206 -0.979 2
1 980 . 1 1 A 99 99 THR CA C 102 58.849 60.431 -1.582 2
1 981 . 1 1 A 99 99 THR CB C 102 71.555 71.464 0.091 2
1 982 . 1 1 A 99 99 THR N N 102 110.885 113.995 -3.110 2
1 983 . 1 1 A 100 100 LYS H H 103 8.757 8.947 -0.190 2
1 984 . 1 1 A 100 100 LYS HA H 103 4.568 4.003 0.565 2
1 986 . 1 1 A 100 100 LYS C C 103 177.761 179.129 -1.368 2
1 987 . 1 1 A 100 100 LYS CA C 103 58.938 59.788 -0.850 2
1 988 . 1 1 A 100 100 LYS CB C 103 32.261 31.987 0.274 2
1 989 . 1 1 A 100 100 LYS N N 103 119.953 121.470 -1.517 2
1 990 . 1 1 A 101 101 GLU H H 104 8.198 7.949 0.249 2
1 991 . 1 1 A 101 101 GLU HA H 104 4.073 4.060 0.013 2
1 996 . 1 1 A 101 101 GLU C C 104 179.447 178.858 0.589 2
1 997 . 1 1 A 101 101 GLU CA C 104 60.461 59.133 1.328 2
1 998 . 1 1 A 101 101 GLU CB C 104 29.226 29.524 -0.298 2
1 1000 . 1 1 A 101 101 GLU N N 104 116.620 119.800 -3.180 2
1 1001 . 1 1 A 102 102 LEU H H 105 7.805 8.031 -0.226 2
1 1002 . 1 1 A 102 102 LEU HA H 105 4.141 4.056 0.085 2
1 1011 . 1 1 A 102 102 LEU C C 105 179.079 178.314 0.765 2
1 1012 . 1 1 A 102 102 LEU CA C 105 58.888 58.153 0.735 2
1 1013 . 1 1 A 102 102 LEU CB C 105 42.346 41.564 0.782 2
1 1017 . 1 1 A 102 102 LEU N N 105 122.702 121.170 1.532 2
1 1018 . 1 1 A 103 103 LEU H H 106 8.732 8.172 0.560 2
1 1019 . 1 1 A 103 103 LEU HA H 106 3.740 4.015 -0.275 2
1 1029 . 1 1 A 103 103 LEU C C 106 179.010 179.203 -0.193 2
1 1030 . 1 1 A 103 103 LEU CA C 106 58.819 58.273 0.546 2
1 1031 . 1 1 A 103 103 LEU CB C 106 40.917 41.180 -0.263 2
1 1034 . 1 1 A 103 103 LEU N N 106 121.288 117.980 3.308 2
1 1035 . 1 1 A 104 104 ASP H H 107 8.979 8.449 0.530 2
1 1036 . 1 1 A 104 104 ASP HA H 107 4.507 4.441 0.066 2
1 1037 . 1 1 A 104 104 ASP C C 107 178.910 178.918 -0.008 2
1 1038 . 1 1 A 104 104 ASP CA C 107 57.980 57.548 0.432 2
1 1039 . 1 1 A 104 104 ASP CB C 107 39.362 40.135 -0.773 2
1 1040 . 1 1 A 104 104 ASP N N 107 119.958 120.009 -0.051 2
1 1041 . 1 1 A 105 105 LYS H H 108 7.396 7.912 -0.516 2
1 1042 . 1 1 A 105 105 LYS HA H 108 3.962 4.062 -0.100 2
1 1049 . 1 1 A 105 105 LYS C C 108 179.461 179.124 0.337 2
1 1050 . 1 1 A 105 105 LYS CA C 108 60.188 59.093 1.095 2
1 1051 . 1 1 A 105 105 LYS CB C 108 32.023 32.180 -0.157 2
1 1055 . 1 1 A 105 105 LYS N N 108 119.832 120.622 -0.790 2
1 1056 . 1 1 A 106 106 HIS H H 109 8.485 7.754 0.731 2
1 1058 . 1 1 A 106 106 HIS C C 109 178.800 178.005 0.795 2
1 1059 . 1 1 A 106 106 HIS CA C 109 61.446 60.206 1.240 2
1 1060 . 1 1 A 106 106 HIS CB C 109 32.434 30.424 2.010 2
1 1061 . 1 1 A 106 106 HIS N N 109 119.994 117.954 2.040 2
1 1062 . 1 1 A 107 107 ILE H H 110 8.990 8.049 0.941 2
1 1063 . 1 1 A 107 107 ILE HA H 110 3.705 3.551 0.154 2
1 1073 . 1 1 A 107 107 ILE C C 110 179.567 178.129 1.438 2
1 1074 . 1 1 A 107 107 ILE CA C 110 65.611 65.436 0.175 2
1 1075 . 1 1 A 107 107 ILE CB C 110 38.190 37.918 0.272 2
1 1079 . 1 1 A 107 107 ILE N N 110 122.423 120.398 2.025 2
1 1080 . 1 1 A 108 108 LYS H H 111 8.430 8.058 0.372 2
1 1081 . 1 1 A 108 108 LYS HA H 111 4.036 4.081 -0.045 2
1 1082 . 1 1 A 108 108 LYS C C 111 179.462 178.998 0.464 2
1 1083 . 1 1 A 108 108 LYS CA C 111 59.924 59.395 0.529 2
1 1084 . 1 1 A 108 108 LYS CB C 111 32.381 31.872 0.509 2
1 1085 . 1 1 A 108 108 LYS N N 111 121.450 120.162 1.288 2
1 1086 . 1 1 A 109 109 GLN H H 112 7.748 8.001 -0.253 2
1 1087 . 1 1 A 109 109 GLN HA H 112 3.899 4.178 -0.279 2
1 1092 . 1 1 A 109 109 GLN C C 112 175.912 176.949 -1.037 2
1 1093 . 1 1 A 109 109 GLN CA C 112 56.982 57.657 -0.675 2
1 1094 . 1 1 A 109 109 GLN CB C 112 28.326 28.402 -0.076 2
1 1096 . 1 1 A 109 109 GLN N N 112 118.007 118.104 -0.097 2
1 1098 . 1 1 A 110 110 LEU H H 113 7.389 7.700 -0.311 2
1 1099 . 1 1 A 110 110 LEU HA H 113 4.221 4.180 0.041 2
1 1106 . 1 1 A 110 110 LEU C C 113 176.751 176.255 0.496 2
1 1107 . 1 1 A 110 110 LEU CA C 113 55.832 55.413 0.419 2
1 1108 . 1 1 A 110 110 LEU CB C 113 41.745 42.261 -0.516 2
1 1110 . 1 1 A 110 110 LEU N N 113 116.870 117.716 -0.846 2
1 1111 . 1 1 A 111 111 HIS H H 114 7.796 8.050 -0.254 2
1 1112 . 1 1 A 111 111 HIS HA H 114 4.365 4.155 0.210 2
1 1115 . 1 1 A 111 111 HIS C C 114 174.736 174.545 0.191 2
1 1116 . 1 1 A 111 111 HIS CA C 114 56.623 56.602 0.021 2
1 1117 . 1 1 A 111 111 HIS CB C 114 26.611 26.678 -0.067 2
1 1118 . 1 1 A 111 111 HIS N N 114 113.693 115.426 -1.733 2
1 1119 . 1 1 A 112 112 LEU H H 115 9.248 7.896 1.352 2
1 1120 . 1 1 A 112 112 LEU HA H 115 4.445 4.360 0.085 2
1 1130 . 1 1 A 112 112 LEU C C 115 177.506 176.369 1.137 2
1 1131 . 1 1 A 112 112 LEU CA C 115 53.914 54.321 -0.407 2
1 1132 . 1 1 A 112 112 LEU CB C 115 43.221 42.384 0.837 2
1 1135 . 1 1 A 112 112 LEU N N 115 119.614 119.686 -0.072 2
1 1136 . 1 1 A 113 113 ASP H H 116 8.070 8.620 -0.550 2
1 1137 . 1 1 A 113 113 ASP HA H 116 4.559 4.680 -0.121 2
1 1140 . 1 1 A 113 113 ASP C C 116 176.378 176.426 -0.048 2
1 1141 . 1 1 A 113 113 ASP CA C 116 54.338 53.750 0.588 2
1 1142 . 1 1 A 113 113 ASP CB C 116 41.531 41.808 -0.277 2
1 1143 . 1 1 A 113 113 ASP N N 116 117.934 120.583 -2.649 2
1 1144 . 1 1 A 114 114 LYS H H 117 8.518 9.039 -0.521 2
1 1145 . 1 1 A 114 114 LYS HA H 117 3.924 3.823 0.101 2
1 1151 . 1 1 A 114 114 LYS C C 117 178.372 178.293 0.079 2
1 1152 . 1 1 A 114 114 LYS CA C 117 59.229 60.542 -1.313 2
1 1153 . 1 1 A 114 114 LYS CB C 117 32.353 32.270 0.083 2
1 1157 . 1 1 A 114 114 LYS N N 117 122.036 122.049 -0.013 2
1 1158 . 1 1 A 115 115 GLU H H 118 8.346 8.385 -0.039 2
1 1159 . 1 1 A 115 115 GLU HA H 118 4.102 3.969 0.133 2
1 1163 . 1 1 A 115 115 GLU C C 118 179.523 178.993 0.530 2
1 1164 . 1 1 A 115 115 GLU CA C 118 59.848 59.477 0.371 2
1 1165 . 1 1 A 115 115 GLU CB C 118 29.215 29.463 -0.248 2
1 1167 . 1 1 A 115 115 GLU N N 118 117.821 118.185 -0.364 2
1 1168 . 1 1 A 116 116 THR H H 119 8.029 8.125 -0.096 2
1 1169 . 1 1 A 116 116 THR HA H 119 4.118 3.768 0.350 2
1 1175 . 1 1 A 116 116 THR C C 119 175.603 175.915 -0.312 2
1 1176 . 1 1 A 116 116 THR CA C 119 67.325 67.628 -0.303 2
1 1178 . 1 1 A 116 116 THR N N 119 119.578 118.523 1.055 2
1 1179 . 1 1 A 117 117 GLU H H 120 8.485 8.392 0.093 2
1 1180 . 1 1 A 117 117 GLU HA H 120 3.558 3.915 -0.357 2
1 1183 . 1 1 A 117 117 GLU C C 120 177.173 179.220 -2.047 2
1 1184 . 1 1 A 117 117 GLU CA C 120 60.979 59.541 1.438 2
1 1185 . 1 1 A 117 117 GLU CB C 120 31.514 29.213 2.301 2
1 1187 . 1 1 A 117 117 GLU N N 120 121.756 121.635 0.121 2
1 1188 . 1 1 A 118 118 ASN H H 121 8.223 8.247 -0.024 2
1 1189 . 1 1 A 118 118 ASN HA H 121 4.384 4.575 -0.191 2
1 1194 . 1 1 A 118 118 ASN C C 121 177.707 177.518 0.189 2
1 1195 . 1 1 A 118 118 ASN CA C 121 55.981 55.933 0.048 2
1 1196 . 1 1 A 118 118 ASN CB C 121 38.524 37.845 0.679 2
1 1197 . 1 1 A 118 118 ASN N N 121 114.342 118.930 -4.588 2
1 1199 . 1 1 A 119 119 LYS H H 122 7.796 7.839 -0.043 2
1 1200 . 1 1 A 119 119 LYS HA H 122 3.844 4.124 -0.280 2
1 1207 . 1 1 A 119 119 LYS C C 122 178.743 178.786 -0.043 2
1 1208 . 1 1 A 119 119 LYS CA C 122 60.003 58.938 1.065 2
1 1209 . 1 1 A 119 119 LYS CB C 122 32.329 32.138 0.191 2
1 1212 . 1 1 A 119 119 LYS N N 122 120.556 120.933 -0.377 2
1 1213 . 1 1 A 120 120 ILE H H 123 7.870 7.859 0.011 2
1 1214 . 1 1 A 120 120 ILE HA H 123 3.530 3.700 -0.170 2
1 1224 . 1 1 A 120 120 ILE C C 123 176.838 178.360 -1.522 2
1 1225 . 1 1 A 120 120 ILE CA C 123 66.304 65.543 0.761 2
1 1226 . 1 1 A 120 120 ILE CB C 123 38.879 37.746 1.133 2
1 1230 . 1 1 A 120 120 ILE N N 123 119.991 119.833 0.158 2
1 1231 . 1 1 A 121 121 ILE H H 124 7.830 8.232 -0.402 2
1 1232 . 1 1 A 121 121 ILE HA H 124 3.863 3.522 0.341 2
1 1242 . 1 1 A 121 121 ILE C C 124 176.257 178.238 -1.981 2
1 1243 . 1 1 A 121 121 ILE CA C 124 65.537 65.859 -0.322 2
1 1244 . 1 1 A 121 121 ILE CB C 124 38.455 37.773 0.682 2
1 1248 . 1 1 A 121 121 ILE N N 124 117.775 121.229 -3.454 2
1 1249 . 1 1 A 122 122 LYS H H 125 7.754 7.936 -0.182 2
1 1250 . 1 1 A 122 122 LYS HA H 125 3.953 3.937 0.016 2
1 1257 . 1 1 A 122 122 LYS C C 125 180.569 178.082 2.487 2
1 1258 . 1 1 A 122 122 LYS CA C 125 58.801 58.935 -0.134 2
1 1259 . 1 1 A 122 122 LYS CB C 125 32.305 31.973 0.332 2
1 1263 . 1 1 A 122 122 LYS N N 125 114.281 120.613 -6.332 2
1 1264 . 1 1 A 123 123 ASP H H 126 8.350 8.002 0.348 2
1 1265 . 1 1 A 123 123 ASP HA H 126 4.339 4.360 -0.021 2
1 1268 . 1 1 A 123 123 ASP C C 126 180.632 178.146 2.486 2
1 1269 . 1 1 A 123 123 ASP CA C 126 59.146 57.413 1.733 2
1 1270 . 1 1 A 123 123 ASP CB C 126 44.544 41.683 2.861 2
1 1271 . 1 1 A 123 123 ASP N N 126 121.206 119.612 1.594 2
1 1272 . 1 1 A 124 124 TYR H H 127 7.954 8.061 -0.107 2
1 1278 . 1 1 A 124 124 TYR CA C 127 59.858 59.833 0.025 2
1 1279 . 1 1 A 124 124 TYR CB C 127 37.012 36.961 0.051 2
1 1280 . 1 1 A 124 124 TYR N N 127 115.316 118.794 -3.478 2
1 1281 . 1 1 A 125 125 LYS HA H 128 4.109 4.375 -0.266 2
1 1284 . 1 1 A 125 125 LYS C C 128 176.852 175.940 0.912 2
1 1285 . 1 1 A 125 125 LYS CA C 128 56.585 55.890 0.695 2
1 1286 . 1 1 A 125 125 LYS CB C 128 34.358 32.905 1.453 2
1 1287 . 1 1 A 126 126 THR H H 129 7.485 7.499 -0.014 2
1 1288 . 1 1 A 126 126 THR HA H 129 4.010 4.371 -0.361 2
1 1293 . 1 1 A 126 126 THR CA C 129 63.206 62.077 1.129 2
1 1294 . 1 1 A 126 126 THR CB C 129 70.043 69.731 0.312 2
1 1295 . 1 1 A 126 126 THR N N 129 119.006 115.262 3.744 2
1 1296 . 1 1 A 129 129 SER C C 132 174.728 175.579 -0.851 2
1 1297 . 1 1 A 129 129 SER CA C 132 57.547 57.349 0.198 2
1 1298 . 1 1 A 129 129 SER CB C 132 65.061 65.340 -0.279 2
1 1299 . 1 1 A 130 130 LYS H H 133 9.526 9.045 0.481 2
1 1300 . 1 1 A 130 130 LYS C C 133 180.714 178.611 2.103 2
1 1301 . 1 1 A 130 130 LYS CA C 133 60.898 60.032 0.866 2
1 1302 . 1 1 A 130 130 LYS CB C 133 32.559 32.003 0.556 2
1 1303 . 1 1 A 130 130 LYS N N 133 119.194 121.529 -2.335 2
1 1304 . 1 1 A 131 131 SER H H 134 8.830 8.267 0.563 2
1 1305 . 1 1 A 131 131 SER CA C 134 63.383 61.200 2.183 2
1 1306 . 1 1 A 131 131 SER N N 134 117.002 113.809 3.193 2
1 1307 . 1 1 A 132 132 TRP H H 135 8.205 7.785 0.420 2
1 1309 . 1 1 A 132 132 TRP C C 135 180.342 178.539 1.803 2
1 1310 . 1 1 A 132 132 TRP CA C 135 61.852 61.028 0.824 2
1 1311 . 1 1 A 132 132 TRP CB C 135 28.007 29.686 -1.679 2
1 1312 . 1 1 A 132 132 TRP N N 135 126.973 125.057 1.916 2
1 1314 . 1 1 A 133 133 LYS H H 136 8.628 8.230 0.398 2
1 1315 . 1 1 A 133 133 LYS HA H 136 4.142 3.997 0.145 2
1 1320 . 1 1 A 133 133 LYS C C 136 179.774 178.948 0.826 2
1 1321 . 1 1 A 133 133 LYS CA C 136 59.501 59.680 -0.179 2
1 1322 . 1 1 A 133 133 LYS CB C 136 32.536 32.315 0.221 2
1 1325 . 1 1 A 133 133 LYS N N 136 118.486 118.567 -0.081 2
1 1326 . 1 1 A 134 134 ALA H H 137 8.180 7.879 0.301 2
1 1327 . 1 1 A 134 134 ALA HA H 137 3.883 4.121 -0.238 2
1 1331 . 1 1 A 134 134 ALA C C 137 179.474 179.669 -0.195 2
1 1332 . 1 1 A 134 134 ALA CA C 137 55.206 54.779 0.427 2
1 1333 . 1 1 A 134 134 ALA CB C 137 17.757 17.389 0.368 2
1 1334 . 1 1 A 134 134 ALA N N 137 124.234 122.520 1.714 2
1 1335 . 1 1 A 135 135 ALA H H 138 7.714 7.996 -0.282 2
1 1336 . 1 1 A 135 135 ALA HA H 138 3.888 4.011 -0.123 2
1 1340 . 1 1 A 135 135 ALA C C 138 181.035 180.340 0.695 2
1 1341 . 1 1 A 135 135 ALA CA C 138 55.184 55.200 -0.016 2
1 1342 . 1 1 A 135 135 ALA CB C 138 18.752 18.191 0.561 2
1 1343 . 1 1 A 135 135 ALA N N 138 119.867 119.222 0.645 2
1 1344 . 1 1 A 136 136 GLU H H 139 7.441 8.020 -0.579 2
1 1345 . 1 1 A 136 136 GLU HA H 139 4.030 3.934 0.096 2
1 1349 . 1 1 A 136 136 GLU C C 139 179.551 179.035 0.516 2
1 1350 . 1 1 A 136 136 GLU CA C 139 59.149 59.487 -0.338 2
1 1351 . 1 1 A 136 136 GLU CB C 139 29.592 29.784 -0.192 2
1 1353 . 1 1 A 136 136 GLU N N 139 117.304 117.691 -0.387 2
1 1354 . 1 1 A 137 137 LYS H H 140 8.136 7.948 0.188 2
1 1355 . 1 1 A 137 137 LYS HA H 140 4.056 4.058 -0.002 2
1 1361 . 1 1 A 137 137 LYS C C 140 178.349 178.256 0.093 2
1 1362 . 1 1 A 137 137 LYS CA C 140 59.410 59.107 0.303 2
1 1363 . 1 1 A 137 137 LYS CB C 140 31.598 32.060 -0.462 2
1 1367 . 1 1 A 137 137 LYS N N 140 123.166 120.870 2.296 2
1 1368 . 1 1 A 138 138 ASP H H 141 7.499 8.204 -0.705 2
1 1369 . 1 1 A 138 138 ASP HA H 141 4.354 4.311 0.043 2
1 1372 . 1 1 A 138 138 ASP C C 141 178.006 179.150 -1.144 2
1 1373 . 1 1 A 138 138 ASP CA C 141 57.374 57.206 0.168 2
1 1374 . 1 1 A 138 138 ASP CB C 141 41.847 40.505 1.342 2
1 1375 . 1 1 A 138 138 ASP N N 141 120.660 119.795 0.865 2
1 1376 . 1 1 A 139 139 LYS H H 142 6.770 7.850 -1.080 2
1 1377 . 1 1 A 139 139 LYS HA H 142 3.799 4.012 -0.213 2
1 1382 . 1 1 A 139 139 LYS C C 142 179.559 179.224 0.335 2
1 1383 . 1 1 A 139 139 LYS CA C 142 60.382 59.561 0.821 2
1 1384 . 1 1 A 139 139 LYS CB C 142 32.023 32.121 -0.098 2
1 1388 . 1 1 A 139 139 LYS N N 142 114.590 119.887 -5.297 2
1 1389 . 1 1 A 140 140 LYS H H 143 7.318 7.688 -0.370 2
1 1390 . 1 1 A 140 140 LYS HA H 143 4.051 4.210 -0.159 2
1 1396 . 1 1 A 140 140 LYS C C 143 177.551 178.781 -1.230 2
1 1397 . 1 1 A 140 140 LYS CA C 143 59.299 58.918 0.381 2
1 1398 . 1 1 A 140 140 LYS CB C 143 32.494 32.093 0.401 2
1 1402 . 1 1 A 140 140 LYS N N 143 121.383 120.434 0.949 2
1 1403 . 1 1 A 141 141 ILE H H 144 8.507 8.239 0.268 2
1 1404 . 1 1 A 141 141 ILE HA H 144 3.711 3.532 0.179 2
1 1413 . 1 1 A 141 141 ILE C C 144 179.194 177.302 1.892 2
1 1414 . 1 1 A 141 141 ILE CA C 144 65.399 66.119 -0.720 2
1 1415 . 1 1 A 141 141 ILE CB C 144 38.083 38.186 -0.103 2
1 1419 . 1 1 A 141 141 ILE N N 144 120.764 119.977 0.787 2
1 1420 . 1 1 A 142 142 ALA H H 145 7.872 8.365 -0.493 2
1 1421 . 1 1 A 142 142 ALA HA H 145 3.899 3.931 -0.032 2
1 1425 . 1 1 A 142 142 ALA C C 145 178.694 179.389 -0.695 2
1 1426 . 1 1 A 142 142 ALA CA C 145 55.684 55.383 0.301 2
1 1427 . 1 1 A 142 142 ALA CB C 145 18.666 18.110 0.556 2
1 1428 . 1 1 A 142 142 ALA N N 145 119.775 121.768 -1.993 2
1 1429 . 1 1 A 143 143 LYS H H 146 7.570 7.904 -0.334 2
1 1430 . 1 1 A 143 143 LYS HA H 146 4.001 3.995 0.006 2
1 1435 . 1 1 A 143 143 LYS C C 146 181.004 178.663 2.341 2
1 1436 . 1 1 A 143 143 LYS CA C 146 59.487 59.472 0.015 2
1 1437 . 1 1 A 143 143 LYS CB C 146 32.381 32.198 0.183 2
1 1441 . 1 1 A 143 143 LYS N N 146 118.824 117.814 1.010 2
1 1442 . 1 1 A 144 144 ASP H H 147 8.978 8.290 0.688 2
1 1443 . 1 1 A 144 144 ASP HA H 147 4.199 4.391 -0.192 2
1 1446 . 1 1 A 144 144 ASP C C 147 177.135 177.779 -0.644 2
1 1447 . 1 1 A 144 144 ASP CA C 147 56.888 56.711 0.177 2
1 1448 . 1 1 A 144 144 ASP CB C 147 39.925 40.358 -0.433 2
1 1449 . 1 1 A 144 144 ASP N N 147 122.128 120.182 1.946 2
1 1450 . 1 1 A 145 145 ASN H H 148 7.358 7.823 -0.465 2
1 1451 . 1 1 A 145 145 ASN HA H 148 4.574 4.830 -0.256 2
1 1456 . 1 1 A 145 145 ASN C C 148 173.027 173.917 -0.890 2
1 1457 . 1 1 A 145 145 ASN CA C 148 53.089 52.689 0.400 2
1 1458 . 1 1 A 145 145 ASN CB C 148 38.883 38.479 0.404 2
1 1459 . 1 1 A 145 145 ASN N N 148 114.651 114.565 0.086 2
1 1461 . 1 1 A 146 146 HIS H H 149 7.652 8.028 -0.376 2
1 1462 . 1 1 A 146 146 HIS HA H 149 4.112 4.138 -0.026 2
1 1465 . 1 1 A 146 146 HIS C C 149 174.133 174.147 -0.014 2
1 1466 . 1 1 A 146 146 HIS CA C 149 56.661 56.479 0.182 2
1 1467 . 1 1 A 146 146 HIS CB C 149 26.851 26.532 0.319 2
1 1468 . 1 1 A 146 146 HIS N N 149 114.959 114.803 0.156 2
1 1469 . 1 1 A 147 147 ILE H H 150 7.902 7.853 0.049 2
1 1470 . 1 1 A 147 147 ILE HA H 150 3.940 4.094 -0.154 2
1 1480 . 1 1 A 147 147 ILE C C 150 175.800 175.295 0.505 2
1 1481 . 1 1 A 147 147 ILE CA C 150 59.295 60.829 -1.534 2
1 1482 . 1 1 A 147 147 ILE CB C 150 34.946 36.866 -1.920 2
1 1486 . 1 1 A 147 147 ILE N N 150 118.964 119.547 -0.583 2
1 1487 . 1 1 A 148 148 LYS H H 151 8.165 8.851 -0.686 2
1 1488 . 1 1 A 148 148 LYS HA H 151 4.319 4.322 -0.003 2
1 1494 . 1 1 A 148 148 LYS C C 151 175.529 176.479 -0.950 2
1 1495 . 1 1 A 148 148 LYS CA C 151 55.793 57.848 -2.055 2
1 1496 . 1 1 A 148 148 LYS CB C 151 34.790 33.038 1.752 2
1 1500 . 1 1 A 148 148 LYS N N 151 121.392 127.844 -6.452 2
1 1501 . 1 1 A 149 149 THR H H 152 7.412 7.815 -0.403 2
1 1502 . 1 1 A 149 149 THR HA H 152 4.575 4.758 -0.183 2
1 1507 . 1 1 A 149 149 THR C C 152 172.725 174.289 -1.564 2
1 1508 . 1 1 A 149 149 THR CA C 152 60.667 59.990 0.677 2
1 1509 . 1 1 A 149 149 THR CB C 152 71.033 71.048 -0.015 2
1 1511 . 1 1 A 149 149 THR N N 152 112.573 110.356 2.217 2
1 1512 . 1 1 A 150 150 THR H H 153 8.329 8.780 -0.451 2
1 1513 . 1 1 A 150 150 THR HA H 153 4.634 5.022 -0.388 2
1 1518 . 1 1 A 150 150 THR C C 153 171.940 172.417 -0.477 2
1 1519 . 1 1 A 150 150 THR CA C 153 57.110 58.327 -1.217 2
1 1520 . 1 1 A 150 150 THR CB C 153 71.302 71.186 0.116 2
1 1522 . 1 1 A 150 150 THR N N 153 111.960 112.637 -0.677 2
1 1523 . 1 1 A 151 151 PRO HA H 154 5.256 4.968 0.288 2
1 1530 . 1 1 A 151 151 PRO C C 154 176.490 175.955 0.535 2
1 1531 . 1 1 A 151 151 PRO CA C 154 62.978 62.360 0.618 2
1 1532 . 1 1 A 151 151 PRO CB C 154 35.592 32.543 3.049 2
1 1535 . 1 1 A 152 152 THR H H 155 7.863 8.633 -0.770 2
1 1536 . 1 1 A 152 152 THR HA H 155 4.287 4.832 -0.545 2
1 1541 . 1 1 A 152 152 THR C C 155 171.013 172.996 -1.983 2
1 1542 . 1 1 A 152 152 THR CA C 155 62.564 61.048 1.516 2
1 1543 . 1 1 A 152 152 THR CB C 155 72.043 72.188 -0.145 2
1 1545 . 1 1 A 152 152 THR N N 155 114.010 116.651 -2.641 2
1 1546 . 1 1 A 153 153 ALA H H 156 8.970 8.862 0.108 2
1 1547 . 1 1 A 153 153 ALA HA H 156 5.996 5.346 0.650 2
1 1551 . 1 1 A 153 153 ALA C C 156 174.773 175.086 -0.313 2
1 1552 . 1 1 A 153 153 ALA CA C 156 50.788 50.297 0.491 2
1 1553 . 1 1 A 153 153 ALA CB C 156 23.589 23.265 0.324 2
1 1554 . 1 1 A 153 153 ALA N N 156 129.712 125.693 4.019 2
1 1555 . 1 1 A 154 154 PHE H H 157 9.457 8.834 0.623 2
1 1556 . 1 1 A 154 154 PHE HA H 157 5.255 5.161 0.094 2
1 1561 . 1 1 A 154 154 PHE C C 157 175.498 175.200 0.298 2
1 1562 . 1 1 A 154 154 PHE CA C 157 56.303 55.951 0.352 2
1 1563 . 1 1 A 154 154 PHE CB C 157 45.234 43.745 1.489 2
1 1564 . 1 1 A 154 154 PHE N N 157 118.743 117.571 1.172 2
1 1565 . 1 1 A 155 155 ILE H H 158 9.076 8.738 0.338 2
1 1566 . 1 1 A 155 155 ILE HA H 158 5.007 4.571 0.436 2
1 1576 . 1 1 A 155 155 ILE C C 158 176.246 176.216 0.030 2
1 1577 . 1 1 A 155 155 ILE CA C 158 60.581 60.327 0.254 2
1 1578 . 1 1 A 155 155 ILE CB C 158 39.294 40.037 -0.743 2
1 1582 . 1 1 A 155 155 ILE N N 158 118.688 121.662 -2.974 2
1 1583 . 1 1 A 156 156 ASN H H 159 9.449 9.607 -0.158 2
1 1584 . 1 1 A 156 156 ASN C C 159 175.511 175.526 -0.015 2
1 1585 . 1 1 A 156 156 ASN CA C 159 54.319 54.728 -0.409 2
1 1586 . 1 1 A 156 156 ASN CB C 159 37.124 37.293 -0.169 2
1 1587 . 1 1 A 156 156 ASN N N 159 128.492 128.680 -0.188 2
1 1588 . 1 1 A 157 157 GLY H H 160 8.826 8.554 0.272 2
1 1589 . 1 1 A 157 157 GLY HA2 H 160 4.129 3.846 0.283 2
1 1590 . 1 1 A 157 157 GLY HA3 H 160 3.652 3.846 -0.194 2
1 1591 . 1 1 A 157 157 GLY C C 160 173.380 173.976 -0.596 2
1 1592 . 1 1 A 157 157 GLY CA C 160 45.703 45.421 0.282 2
1 1593 . 1 1 A 157 157 GLY N N 160 103.476 103.974 -0.498 2
1 1594 . 1 1 A 158 158 GLU H H 161 8.237 7.904 0.333 2
1 1595 . 1 1 A 158 158 GLU HA H 161 4.605 4.459 0.146 2
1 1598 . 1 1 A 158 158 GLU C C 161 174.942 175.942 -1.000 2
1 1599 . 1 1 A 158 158 GLU CA C 161 55.128 55.703 -0.575 2
1 1600 . 1 1 A 158 158 GLU CB C 161 31.154 30.765 0.389 2
1 1601 . 1 1 A 158 158 GLU N N 161 122.883 120.597 2.286 2
1 1602 . 1 1 A 159 159 LYS H H 162 8.521 8.479 0.042 2
1 1603 . 1 1 A 159 159 LYS HA H 162 3.491 4.415 -0.924 2
1 1611 . 1 1 A 159 159 LYS C C 162 176.149 176.324 -0.175 2
1 1612 . 1 1 A 159 159 LYS CA C 162 57.095 56.488 0.607 2
1 1613 . 1 1 A 159 159 LYS CB C 162 32.899 32.982 -0.083 2
1 1617 . 1 1 A 159 159 LYS N N 162 127.039 124.936 2.103 2
1 1618 . 1 1 A 160 160 VAL H H 163 8.170 8.695 -0.525 2
1 1619 . 1 1 A 160 160 VAL HA H 163 3.494 3.971 -0.477 2
1 1627 . 1 1 A 160 160 VAL C C 163 176.521 175.356 1.165 2
1 1628 . 1 1 A 160 160 VAL CA C 163 62.409 63.169 -0.760 2
1 1629 . 1 1 A 160 160 VAL CB C 163 31.257 30.665 0.592 2
1 1632 . 1 1 A 160 160 VAL N N 163 128.384 126.769 1.615 2
1 1633 . 1 1 A 161 161 GLU H H 164 8.474 8.943 -0.469 2
1 1634 . 1 1 A 161 161 GLU HA H 164 3.776 4.056 -0.280 2
1 1638 . 1 1 A 161 161 GLU C C 164 176.570 176.541 0.029 2
1 1639 . 1 1 A 161 161 GLU CA C 164 59.807 59.566 0.241 2
1 1640 . 1 1 A 161 161 GLU CB C 164 29.922 29.693 0.229 2
1 1642 . 1 1 A 161 161 GLU N N 164 128.513 127.168 1.345 2
1 1643 . 1 1 A 162 162 ASP H H 165 7.269 7.999 -0.730 2
1 1644 . 1 1 A 162 162 ASP HA H 165 5.099 4.950 0.149 2
1 1647 . 1 1 A 162 162 ASP CA C 165 49.820 50.841 -1.021 2
1 1648 . 1 1 A 162 162 ASP CB C 165 41.371 41.758 -0.387 2
1 1649 . 1 1 A 162 162 ASP N N 165 115.480 118.267 -2.787 2
1 1650 . 1 1 A 163 163 PRO HA H 166 4.106 4.413 -0.307 2
1 1656 . 1 1 A 163 163 PRO C C 166 175.673 176.974 -1.301 2
1 1657 . 1 1 A 163 163 PRO CA C 166 63.215 64.148 -0.933 2
1 1658 . 1 1 A 163 163 PRO CB C 166 31.326 31.616 -0.290 2
1 1661 . 1 1 A 164 164 TYR H H 167 7.616 8.046 -0.430 2
1 1662 . 1 1 A 164 164 TYR HA H 167 4.444 4.617 -0.173 2
1 1666 . 1 1 A 164 164 TYR C C 167 178.784 175.491 3.293 2
1 1667 . 1 1 A 164 164 TYR CA C 167 57.553 58.512 -0.959 2
1 1668 . 1 1 A 164 164 TYR CB C 167 37.915 39.018 -1.103 2
1 1669 . 1 1 A 164 164 TYR N N 167 116.762 118.257 -1.495 2
1 1670 . 1 1 A 165 165 ASP H H 168 7.414 7.772 -0.358 2
1 1671 . 1 1 A 165 165 ASP HA H 168 4.957 4.860 0.097 2
1 1674 . 1 1 A 165 165 ASP C C 168 179.464 176.038 3.426 2
1 1675 . 1 1 A 165 165 ASP CA C 168 51.923 52.700 -0.777 2
1 1676 . 1 1 A 165 165 ASP CB C 168 43.103 41.820 1.283 2
1 1677 . 1 1 A 165 165 ASP N N 168 119.630 121.872 -2.242 2
1 1678 . 1 1 A 166 166 TYR H H 169 9.281 8.938 0.343 2
1 1679 . 1 1 A 166 166 TYR HA H 169 4.157 3.971 0.186 2
1 1685 . 1 1 A 166 166 TYR C C 169 177.055 177.325 -0.270 2
1 1686 . 1 1 A 166 166 TYR CA C 169 62.450 62.476 -0.026 2
1 1687 . 1 1 A 166 166 TYR CB C 169 39.132 39.294 -0.162 2
1 1688 . 1 1 A 166 166 TYR N N 169 127.792 127.600 0.192 2
1 1689 . 1 1 A 167 167 GLU H H 170 8.576 8.546 0.030 2
1 1690 . 1 1 A 167 167 GLU HA H 170 3.840 3.967 -0.127 2
1 1695 . 1 1 A 167 167 GLU C C 170 178.638 178.779 -0.141 2
1 1696 . 1 1 A 167 167 GLU CA C 170 59.710 59.510 0.200 2
1 1697 . 1 1 A 167 167 GLU CB C 170 29.067 29.287 -0.220 2
1 1699 . 1 1 A 167 167 GLU N N 170 117.250 118.535 -1.285 2
1 1700 . 1 1 A 168 168 SER H H 171 7.854 7.836 0.018 2
1 1701 . 1 1 A 168 168 SER HA H 171 4.118 4.176 -0.058 2
1 1704 . 1 1 A 168 168 SER C C 171 176.409 176.776 -0.367 2
1 1705 . 1 1 A 168 168 SER CA C 171 61.999 61.112 0.887 2
1 1706 . 1 1 A 168 168 SER CB C 171 64.148 62.853 1.295 2
1 1707 . 1 1 A 168 168 SER N N 171 115.446 115.938 -0.492 2
1 1708 . 1 1 A 169 169 TYR H H 172 7.531 7.619 -0.088 2
1 1709 . 1 1 A 169 169 TYR HA H 172 3.895 4.314 -0.419 2
1 1714 . 1 1 A 169 169 TYR CA C 172 60.459 60.994 -0.535 2
1 1715 . 1 1 A 169 169 TYR CB C 172 37.004 37.718 -0.714 2
1 1716 . 1 1 A 169 169 TYR N N 172 118.887 119.537 -0.650 2
1 1717 . 1 1 A 170 170 GLU H H 173 7.552 8.280 -0.728 2
1 1718 . 1 1 A 170 170 GLU HA H 173 3.684 3.937 -0.253 2
1 1723 . 1 1 A 170 170 GLU C C 173 177.935 178.579 -0.644 2
1 1724 . 1 1 A 170 170 GLU CA C 173 60.031 59.807 0.224 2
1 1725 . 1 1 A 170 170 GLU CB C 173 29.915 28.947 0.968 2
1 1727 . 1 1 A 170 170 GLU N N 173 118.753 119.802 -1.049 2
1 1728 . 1 1 A 171 171 LYS H H 174 7.943 7.891 0.052 2
1 1729 . 1 1 A 171 171 LYS HA H 174 3.920 4.029 -0.109 2
1 1737 . 1 1 A 171 171 LYS C C 174 178.297 179.118 -0.821 2
1 1738 . 1 1 A 171 171 LYS CA C 174 59.803 59.365 0.438 2
1 1739 . 1 1 A 171 171 LYS CB C 174 32.567 32.036 0.531 2
1 1743 . 1 1 A 171 171 LYS N N 174 116.313 119.708 -3.395 2
1 1744 . 1 1 A 172 172 LEU H H 175 6.745 8.081 -1.336 2
1 1745 . 1 1 A 172 172 LEU HA H 175 4.291 4.084 0.207 2
1 1755 . 1 1 A 172 172 LEU C C 175 178.328 179.589 -1.261 2
1 1756 . 1 1 A 172 172 LEU CA C 175 56.403 57.497 -1.094 2
1 1757 . 1 1 A 172 172 LEU CB C 175 43.397 41.324 2.073 2
1 1761 . 1 1 A 172 172 LEU N N 175 116.842 119.458 -2.616 2
1 1762 . 1 1 A 173 173 LEU H H 176 7.835 7.948 -0.113 2
1 1763 . 1 1 A 173 173 LEU HA H 176 4.443 4.091 0.352 2
1 1766 . 1 1 A 173 173 LEU C C 176 178.719 178.198 0.521 2
1 1767 . 1 1 A 173 173 LEU CA C 176 57.048 56.174 0.874 2
1 1768 . 1 1 A 173 173 LEU CB C 176 42.884 41.731 1.153 2
1 1769 . 1 1 A 173 173 LEU N N 176 118.801 120.140 -1.339 2
1 1770 . 1 1 A 174 174 LYS H H 177 8.079 8.178 -0.099 2
1 1771 . 1 1 A 174 174 LYS C C 177 177.525 179.081 -1.556 2
1 1772 . 1 1 A 174 174 LYS CA C 177 59.535 60.096 -0.561 2
1 1773 . 1 1 A 174 174 LYS CB C 177 32.586 32.368 0.218 2
1 1774 . 1 1 A 174 174 LYS N N 177 118.180 120.069 -1.889 2
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