data_16247_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16247
_Entry.PDB_ID 2KHK
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 10
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 11 . 1 1 1 A 2 2 ALA H H 2 8.426 7.628 0.798 1
1 12 . 1 1 1 A 2 2 ALA HA H 2 4.303 4.336 -0.033 1
1 16 . 1 1 1 A 2 2 ALA C C 2 178.047 176.733 1.314 1
1 17 . 1 1 1 A 2 2 ALA CA C 2 52.957 54.106 -1.149 1
1 18 . 1 1 1 A 2 2 ALA CB C 2 19.097 19.526 -0.429 1
1 19 . 1 1 1 A 2 2 ALA N N 2 125.346 120.468 4.878 1
1 20 . 1 1 1 A 3 3 ALA H H 3 8.424 7.799 0.625 1
1 21 . 1 1 1 A 3 3 ALA HA H 3 4.272 4.448 -0.176 1
1 25 . 1 1 1 A 3 3 ALA C C 3 178.831 177.547 1.284 1
1 26 . 1 1 1 A 3 3 ALA CA C 3 53.277 51.325 1.952 1
1 27 . 1 1 1 A 3 3 ALA CB C 3 18.815 19.500 -0.685 1
1 28 . 1 1 1 A 3 3 ALA N N 3 123.135 119.289 3.846 1
1 29 . 1 1 1 A 4 4 ILE H H 4 8.153 8.682 -0.529 1
1 30 . 1 1 1 A 4 4 ILE HA H 4 4.057 4.014 0.043 1
1 37 . 1 1 1 A 4 4 ILE C C 4 174.367 176.989 -2.622 1
1 38 . 1 1 1 A 4 4 ILE CA C 4 59.667 63.781 -4.114 1
1 39 . 1 1 1 A 4 4 ILE CB C 4 35.772 38.382 -2.610 1
1 43 . 1 1 1 A 4 4 ILE N N 4 120.052 125.854 -5.802 1
1 44 . 1 1 1 A 5 5 GLU H H 5 8.389 7.877 0.512 1
1 45 . 1 1 1 A 5 5 GLU HA H 5 4.242 4.500 -0.258 1
1 50 . 1 1 1 A 5 5 GLU C C 5 177.454 174.758 2.696 1
1 51 . 1 1 1 A 5 5 GLU CA C 5 57.595 55.860 1.735 1
1 52 . 1 1 1 A 5 5 GLU CB C 5 29.925 29.944 -0.019 1
1 54 . 1 1 1 A 5 5 GLU N N 5 123.850 117.862 5.988 1
1 55 . 1 1 1 A 6 6 LYS H H 6 8.359 7.583 0.776 1
1 56 . 1 1 1 A 6 6 LYS HA H 6 4.232 4.876 -0.644 1
1 65 . 1 1 1 A 6 6 LYS C C 6 178.454 174.415 4.039 1
1 66 . 1 1 1 A 6 6 LYS CA C 6 57.701 55.883 1.818 1
1 67 . 1 1 1 A 6 6 LYS CB C 6 32.786 34.772 -1.986 1
1 71 . 1 1 1 A 6 6 LYS N N 6 122.313 123.574 -1.261 1
1 72 . 1 1 1 A 7 7 ARG H H 7 8.286 8.556 -0.270 1
1 73 . 1 1 1 A 7 7 ARG HA H 7 4.302 5.051 -0.749 1
1 78 . 1 1 1 A 7 7 ARG C C 7 177.255 174.972 2.283 1
1 79 . 1 1 1 A 7 7 ARG CA C 7 57.082 55.279 1.803 1
1 80 . 1 1 1 A 7 7 ARG CB C 7 30.301 33.464 -3.163 1
1 83 . 1 1 1 A 7 7 ARG N N 7 121.287 123.370 -2.083 1
1 84 . 1 1 1 A 8 8 GLN H H 8 8.441 8.710 -0.269 1
1 85 . 1 1 1 A 8 8 GLN CA C 8 57.140 57.304 -0.164 1
1 86 . 1 1 1 A 8 8 GLN CB C 8 30.176 31.029 -0.853 1
1 87 . 1 1 1 A 8 8 GLN N N 8 120.311 120.671 -0.360 1
1 88 . 1 1 1 A 9 9 LYS HA H 9 4.232 4.519 -0.287 1
1 97 . 1 1 1 A 9 9 LYS CA C 9 57.820 54.642 3.178 1
1 98 . 1 1 1 A 9 9 LYS CB C 9 32.862 32.031 0.831 1
1 102 . 1 1 1 A 10 10 GLU H H 10 8.354 8.715 -0.361 1
1 103 . 1 1 1 A 10 10 GLU HA H 10 4.245 4.127 0.118 1
1 109 . 1 1 1 A 10 10 GLU C C 10 178.220 178.788 -0.568 1
1 110 . 1 1 1 A 10 10 GLU CA C 10 57.837 59.594 -1.757 1
1 111 . 1 1 1 A 10 10 GLU CB C 10 29.839 29.312 0.527 1
1 113 . 1 1 1 A 10 10 GLU N N 10 121.036 125.153 -4.117 1
1 114 . 1 1 1 A 11 11 ILE H H 11 8.257 7.689 0.568 1
1 115 . 1 1 1 A 11 11 ILE HA H 11 4.025 3.790 0.235 1
1 122 . 1 1 1 A 11 11 ILE C C 11 177.395 177.700 -0.305 1
1 123 . 1 1 1 A 11 11 ILE CA C 11 62.538 64.319 -1.781 1
1 124 . 1 1 1 A 11 11 ILE CB C 11 38.434 37.658 0.776 1
1 128 . 1 1 1 A 11 11 ILE N N 11 121.653 118.065 3.588 1
1 129 . 1 1 1 A 12 12 ALA H H 12 8.371 8.370 0.001 1
1 130 . 1 1 1 A 12 12 ALA HA H 12 4.260 4.056 0.204 1
1 134 . 1 1 1 A 12 12 ALA C C 12 178.875 179.889 -1.014 1
1 135 . 1 1 1 A 12 12 ALA CA C 12 53.762 55.752 -1.990 1
1 136 . 1 1 1 A 12 12 ALA CB C 12 18.717 18.413 0.304 1
1 137 . 1 1 1 A 12 12 ALA N N 12 126.518 123.681 2.837 1
1 138 . 1 1 1 A 13 13 ASP H H 13 8.608 8.377 0.231 1
1 139 . 1 1 1 A 13 13 ASP HA H 13 4.546 4.386 0.160 1
1 142 . 1 1 1 A 13 13 ASP C C 13 177.863 179.886 -2.023 1
1 143 . 1 1 1 A 13 13 ASP CA C 13 55.465 57.045 -1.580 1
1 144 . 1 1 1 A 13 13 ASP CB C 13 40.730 40.166 0.564 1
1 145 . 1 1 1 A 13 13 ASP N N 13 119.841 118.716 1.125 1
1 146 . 1 1 1 A 14 14 GLY H H 14 8.293 8.330 -0.037 1
1 147 . 1 1 1 A 14 14 GLY HA2 H 14 3.998 3.674 0.324 1
1 148 . 1 1 1 A 14 14 GLY HA3 H 14 3.998 3.679 0.319 1
1 149 . 1 1 1 A 14 14 GLY C C 14 172.618 175.916 -3.298 1
1 150 . 1 1 1 A 14 14 GLY CA C 14 43.412 47.302 -3.890 1
1 151 . 1 1 1 A 14 14 GLY N N 14 109.075 109.143 -0.068 1
1 152 . 1 1 1 A 15 15 LEU H H 15 8.119 8.147 -0.028 1
1 153 . 1 1 1 A 15 15 LEU HA H 15 4.290 4.029 0.261 1
1 163 . 1 1 1 A 15 15 LEU C C 15 178.215 178.776 -0.561 1
1 164 . 1 1 1 A 15 15 LEU CA C 15 56.113 57.714 -1.601 1
1 165 . 1 1 1 A 15 15 LEU CB C 15 42.109 41.666 0.443 1
1 169 . 1 1 1 A 15 15 LEU N N 15 122.115 123.406 -1.291 1
1 170 . 1 1 1 A 16 16 ALA H H 16 8.293 8.408 -0.115 1
1 171 . 1 1 1 A 16 16 ALA HA H 16 4.315 4.001 0.314 1
1 175 . 1 1 1 A 16 16 ALA C C 16 178.847 179.930 -1.083 1
1 176 . 1 1 1 A 16 16 ALA CA C 16 53.230 55.177 -1.947 1
1 177 . 1 1 1 A 16 16 ALA CB C 16 18.769 17.910 0.859 1
1 178 . 1 1 1 A 16 16 ALA N N 16 123.673 121.899 1.774 1
1 179 . 1 1 1 A 17 17 SER H H 17 8.294 7.939 0.355 1
1 180 . 1 1 1 A 17 17 SER HA H 17 4.405 4.109 0.296 1
1 183 . 1 1 1 A 17 17 SER C C 17 175.446 176.488 -1.042 1
1 184 . 1 1 1 A 17 17 SER CA C 17 59.398 61.667 -2.269 1
1 185 . 1 1 1 A 17 17 SER CB C 17 63.460 63.128 0.332 1
1 186 . 1 1 1 A 17 17 SER N N 17 114.615 113.640 0.975 1
1 187 . 1 1 1 A 18 18 ALA H H 18 8.308 8.064 0.244 1
1 188 . 1 1 1 A 18 18 ALA HA H 18 4.325 4.179 0.146 1
1 192 . 1 1 1 A 18 18 ALA C C 18 178.476 179.243 -0.767 1
1 193 . 1 1 1 A 18 18 ALA CA C 18 53.528 54.822 -1.294 1
1 194 . 1 1 1 A 18 18 ALA CB C 18 18.753 18.337 0.416 1
1 195 . 1 1 1 A 18 18 ALA N N 18 125.710 123.624 2.086 1
1 196 . 1 1 1 A 19 19 GLU H H 19 8.290 8.130 0.160 1
1 197 . 1 1 1 A 19 19 GLU HA H 19 4.237 4.032 0.205 1
1 202 . 1 1 1 A 19 19 GLU C C 19 177.358 178.802 -1.444 1
1 203 . 1 1 1 A 19 19 GLU CA C 19 57.447 59.584 -2.137 1
1 204 . 1 1 1 A 19 19 GLU CB C 19 29.866 29.337 0.529 1
1 206 . 1 1 1 A 19 19 GLU N N 19 119.387 118.961 0.426 1
1 207 . 1 1 1 A 20 20 ARG H H 20 8.214 8.117 0.097 1
1 208 . 1 1 1 A 20 20 ARG HA H 20 4.244 4.036 0.208 1
1 215 . 1 1 1 A 20 20 ARG C C 20 176.546 178.906 -2.360 1
1 216 . 1 1 1 A 20 20 ARG CA C 20 56.895 58.885 -1.990 1
1 217 . 1 1 1 A 20 20 ARG CB C 20 30.596 30.154 0.442 1
1 220 . 1 1 1 A 20 20 ARG N N 20 121.283 118.981 2.302 1
1 221 . 1 1 1 A 21 21 ALA H H 21 8.247 7.427 0.820 1
1 222 . 1 1 1 A 21 21 ALA HA H 21 4.279 4.111 0.168 1
1 226 . 1 1 1 A 21 21 ALA C C 21 178.212 179.961 -1.749 1
1 227 . 1 1 1 A 21 21 ALA CA C 21 53.059 55.195 -2.136 1
1 228 . 1 1 1 A 21 21 ALA CB C 21 18.827 18.357 0.470 1
1 229 . 1 1 1 A 21 21 ALA N N 21 123.697 122.001 1.696 1
1 230 . 1 1 1 A 22 22 HIS H H 22 8.352 8.514 -0.162 1
1 231 . 1 1 1 A 22 22 HIS HA H 22 4.212 4.362 -0.150 1
1 234 . 1 1 1 A 22 22 HIS C C 22 177.321 178.033 -0.712 1
1 235 . 1 1 1 A 22 22 HIS CA C 22 56.652 59.361 -2.709 1
1 236 . 1 1 1 A 22 22 HIS CB C 22 29.845 29.624 0.221 1
1 237 . 1 1 1 A 22 22 HIS N N 22 118.280 116.297 1.983 1
1 238 . 1 1 1 A 23 23 LYS H H 23 8.336 8.410 -0.074 1
1 239 . 1 1 1 A 23 23 LYS HA H 23 4.294 3.911 0.383 1
1 248 . 1 1 1 A 23 23 LYS C C 23 176.700 178.429 -1.729 1
1 249 . 1 1 1 A 23 23 LYS CA C 23 57.000 59.526 -2.526 1
1 250 . 1 1 1 A 23 23 LYS CB C 23 32.797 32.193 0.604 1
1 254 . 1 1 1 A 23 23 LYS N N 23 122.370 118.681 3.689 1
1 255 . 1 1 1 A 24 24 ASP H H 24 8.537 8.240 0.297 1
1 256 . 1 1 1 A 24 24 ASP HA H 24 4.581 4.299 0.282 1
1 259 . 1 1 1 A 24 24 ASP C C 24 176.941 178.497 -1.556 1
1 260 . 1 1 1 A 24 24 ASP CA C 24 55.069 57.650 -2.581 1
1 261 . 1 1 1 A 24 24 ASP CB C 24 40.789 41.743 -0.954 1
1 262 . 1 1 1 A 24 24 ASP N N 24 121.152 119.881 1.271 1
1 263 . 1 1 1 A 25 25 LEU H H 25 8.215 8.395 -0.180 1
1 264 . 1 1 1 A 25 25 LEU HA H 25 4.290 4.035 0.255 1
1 273 . 1 1 1 A 25 25 LEU CA C 25 56.176 58.112 -1.936 1
1 274 . 1 1 1 A 25 25 LEU CB C 25 42.175 41.256 0.919 1
1 278 . 1 1 1 A 25 25 LEU N N 25 122.648 120.944 1.704 1
1 279 . 1 1 1 A 26 26 ASP H H 26 8.363 8.291 0.072 1
1 280 . 1 1 1 A 26 26 ASP HA H 26 4.577 4.346 0.231 1
1 283 . 1 1 1 A 26 26 ASP C C 26 177.284 178.973 -1.689 1
1 284 . 1 1 1 A 26 26 ASP CA C 26 54.971 57.063 -2.092 1
1 285 . 1 1 1 A 26 26 ASP CB C 26 40.708 40.980 -0.272 1
1 286 . 1 1 1 A 26 26 ASP N N 26 121.040 119.477 1.563 1
1 287 . 1 1 1 A 27 27 LEU H H 27 8.228 8.359 -0.131 1
1 288 . 1 1 1 A 27 27 LEU HA H 27 4.309 4.031 0.278 1
1 297 . 1 1 1 A 27 27 LEU C C 27 178.228 179.119 -0.891 1
1 298 . 1 1 1 A 27 27 LEU CA C 27 56.235 58.085 -1.850 1
1 299 . 1 1 1 A 27 27 LEU CB C 27 42.080 41.470 0.610 1
1 303 . 1 1 1 A 27 27 LEU N N 27 122.902 119.543 3.359 1
1 304 . 1 1 1 A 28 28 ALA H H 28 8.226 8.369 -0.143 1
1 305 . 1 1 1 A 28 28 ALA HA H 28 4.313 4.072 0.241 1
1 309 . 1 1 1 A 28 28 ALA C C 28 178.768 179.967 -1.199 1
1 310 . 1 1 1 A 28 28 ALA CA C 28 50.751 55.660 -4.909 1
1 311 . 1 1 1 A 28 28 ALA CB C 28 15.973 18.480 -2.507 1
1 312 . 1 1 1 A 28 28 ALA N N 28 123.394 122.073 1.321 1
1 313 . 1 1 1 A 29 29 LYS H H 29 8.105 8.427 -0.322 1
1 314 . 1 1 1 A 29 29 LYS HA H 29 4.273 3.978 0.295 1
1 321 . 1 1 1 A 29 29 LYS C C 29 177.235 178.811 -1.576 1
1 322 . 1 1 1 A 29 29 LYS CA C 29 56.975 59.254 -2.279 1
1 323 . 1 1 1 A 29 29 LYS CB C 29 32.809 32.370 0.439 1
1 327 . 1 1 1 A 29 29 LYS N N 29 119.798 117.538 2.260 1
1 328 . 1 1 1 A 30 30 ALA H H 30 8.256 8.255 0.001 1
1 329 . 1 1 1 A 30 30 ALA HA H 30 4.333 4.097 0.236 1
1 333 . 1 1 1 A 30 30 ALA C C 30 178.374 179.816 -1.442 1
1 334 . 1 1 1 A 30 30 ALA CA C 30 53.121 55.289 -2.168 1
1 335 . 1 1 1 A 30 30 ALA CB C 30 18.978 18.725 0.253 1
1 336 . 1 1 1 A 30 30 ALA N N 30 124.377 122.515 1.862 1
1 337 . 1 1 1 A 31 31 SER H H 31 8.404 8.321 0.083 1
1 338 . 1 1 1 A 31 31 SER HA H 31 4.484 4.080 0.404 1
1 341 . 1 1 1 A 31 31 SER C C 31 175.050 177.169 -2.119 1
1 342 . 1 1 1 A 31 31 SER CA C 31 58.756 61.445 -2.689 1
1 343 . 1 1 1 A 31 31 SER CB C 31 63.797 62.935 0.862 1
1 344 . 1 1 1 A 31 31 SER N N 31 114.933 112.850 2.083 1
1 345 . 1 1 1 A 32 32 ALA H H 32 8.419 7.940 0.479 1
1 346 . 1 1 1 A 32 32 ALA HA H 32 4.414 4.140 0.274 1
1 350 . 1 1 1 A 32 32 ALA C C 32 178.933 179.705 -0.772 1
1 351 . 1 1 1 A 32 32 ALA CA C 32 53.555 55.120 -1.565 1
1 352 . 1 1 1 A 32 32 ALA CB C 32 18.785 18.550 0.235 1
1 353 . 1 1 1 A 32 32 ALA N N 32 125.821 123.539 2.282 1
1 354 . 1 1 1 A 33 33 THR H H 33 8.216 8.385 -0.169 1
1 355 . 1 1 1 A 33 33 THR HA H 33 4.364 3.786 0.578 1
1 358 . 1 1 1 A 33 33 THR C C 33 175.345 176.096 -0.751 1
1 359 . 1 1 1 A 33 33 THR CA C 33 63.424 67.569 -4.145 1
1 360 . 1 1 1 A 33 33 THR CB C 33 69.432 68.596 0.836 1
1 361 . 1 1 1 A 33 33 THR N N 33 112.980 113.366 -0.386 1
1 362 . 1 1 1 A 34 34 ASP H H 34 8.332 8.528 -0.196 1
1 363 . 1 1 1 A 34 34 ASP HA H 34 4.560 4.312 0.248 1
1 366 . 1 1 1 A 34 34 ASP C C 34 177.331 178.896 -1.565 1
1 367 . 1 1 1 A 34 34 ASP CA C 34 55.611 57.380 -1.769 1
1 368 . 1 1 1 A 34 34 ASP CB C 34 40.819 40.722 0.097 1
1 369 . 1 1 1 A 34 34 ASP N N 34 122.777 120.524 2.253 1
1 370 . 1 1 1 A 35 35 GLN H H 35 8.376 8.219 0.157 1
1 371 . 1 1 1 A 35 35 GLN HA H 35 4.225 3.917 0.308 1
1 376 . 1 1 1 A 35 35 GLN C C 35 177.216 178.686 -1.470 1
1 377 . 1 1 1 A 35 35 GLN CA C 35 57.159 58.909 -1.750 1
1 378 . 1 1 1 A 35 35 GLN CB C 35 28.840 28.113 0.727 1
1 380 . 1 1 1 A 35 35 GLN N N 35 120.161 118.463 1.698 1
1 381 . 1 1 1 A 36 36 LEU H H 36 8.152 8.533 -0.381 1
1 382 . 1 1 1 A 36 36 LEU HA H 36 4.325 3.951 0.374 1
1 391 . 1 1 1 A 36 36 LEU C C 36 178.245 178.968 -0.723 1
1 392 . 1 1 1 A 36 36 LEU CA C 36 56.382 57.674 -1.292 1
1 393 . 1 1 1 A 36 36 LEU CB C 36 41.952 41.529 0.423 1
1 397 . 1 1 1 A 36 36 LEU N N 36 121.719 120.706 1.013 1
1 398 . 1 1 1 A 37 37 LYS H H 37 8.140 8.460 -0.320 1
1 399 . 1 1 1 A 37 37 LYS HA H 37 4.245 3.890 0.355 1
1 408 . 1 1 1 A 37 37 LYS C C 37 177.582 178.946 -1.364 1
1 409 . 1 1 1 A 37 37 LYS CA C 37 57.518 59.690 -2.172 1
1 410 . 1 1 1 A 37 37 LYS CB C 37 32.662 32.239 0.423 1
1 414 . 1 1 1 A 37 37 LYS N N 37 121.035 118.864 2.171 1
1 415 . 1 1 1 A 38 38 LYS H H 38 8.200 8.091 0.109 1
1 416 . 1 1 1 A 38 38 LYS HA H 38 4.259 4.049 0.210 1
1 425 . 1 1 1 A 38 38 LYS C C 38 177.094 178.492 -1.398 1
1 426 . 1 1 1 A 38 38 LYS CA C 38 57.200 59.459 -2.259 1
1 427 . 1 1 1 A 38 38 LYS CB C 38 32.881 32.372 0.509 1
1 431 . 1 1 1 A 38 38 LYS N N 38 121.951 119.279 2.672 1
1 432 . 1 1 1 A 39 39 ALA H H 39 8.310 8.260 0.050 1
1 433 . 1 1 1 A 39 39 ALA HA H 39 4.297 4.123 0.174 1
1 437 . 1 1 1 A 39 39 ALA C C 39 178.705 179.940 -1.235 1
1 438 . 1 1 1 A 39 39 ALA CA C 39 53.083 55.264 -2.181 1
1 439 . 1 1 1 A 39 39 ALA CB C 39 18.859 18.225 0.634 1
1 440 . 1 1 1 A 39 39 ALA N N 39 124.850 121.086 3.764 1
1 441 . 1 1 1 A 40 40 LYS H H 40 8.322 8.377 -0.055 1
1 442 . 1 1 1 A 40 40 LYS HA H 40 4.257 3.966 0.291 1
1 451 . 1 1 1 A 40 40 LYS C C 40 176.957 179.103 -2.146 1
1 452 . 1 1 1 A 40 40 LYS CA C 40 57.048 59.672 -2.624 1
1 453 . 1 1 1 A 40 40 LYS CB C 40 32.890 32.304 0.586 1
1 457 . 1 1 1 A 40 40 LYS N N 40 120.538 117.304 3.234 1
1 458 . 1 1 1 A 41 41 ALA H H 41 8.292 8.283 0.009 1
1 459 . 1 1 1 A 41 41 ALA HA H 41 4.328 3.995 0.333 1
1 463 . 1 1 1 A 41 41 ALA C C 41 178.535 179.951 -1.416 1
1 464 . 1 1 1 A 41 41 ALA CA C 41 53.106 54.988 -1.882 1
1 465 . 1 1 1 A 41 41 ALA CB C 41 18.889 18.408 0.481 1
1 466 . 1 1 1 A 41 41 ALA N N 41 124.385 121.780 2.605 1
1 467 . 1 1 1 A 42 42 GLU H H 42 8.441 8.016 0.425 1
1 468 . 1 1 1 A 42 42 GLU HA H 42 4.275 4.067 0.208 1
1 473 . 1 1 1 A 42 42 GLU C C 42 176.846 178.921 -2.075 1
1 474 . 1 1 1 A 42 42 GLU CA C 42 57.031 58.968 -1.937 1
1 475 . 1 1 1 A 42 42 GLU CB C 42 30.151 29.319 0.832 1
1 477 . 1 1 1 A 42 42 GLU N N 42 120.022 118.477 1.545 1
1 478 . 1 1 1 A 43 43 ALA H H 43 8.276 8.149 0.127 1
1 479 . 1 1 1 A 43 43 ALA HA H 43 4.306 4.020 0.286 1
1 483 . 1 1 1 A 43 43 ALA C C 43 178.055 177.691 0.364 1
1 484 . 1 1 1 A 43 43 ALA CA C 43 52.974 54.704 -1.730 1
1 485 . 1 1 1 A 43 43 ALA CB C 43 18.903 18.941 -0.038 1
1 486 . 1 1 1 A 43 43 ALA N N 43 124.119 122.218 1.901 1
1 487 . 1 1 1 A 44 44 GLN H H 44 8.312 7.170 1.142 1
1 488 . 1 1 1 A 44 44 GLN HA H 44 4.310 4.593 -0.283 1
1 493 . 1 1 1 A 44 44 GLN C C 44 176.174 174.615 1.559 1
1 494 . 1 1 1 A 44 44 GLN CA C 44 56.154 57.264 -1.110 1
1 495 . 1 1 1 A 44 44 GLN CB C 44 29.285 30.556 -1.271 1
1 497 . 1 1 1 A 44 44 GLN N N 44 119.573 113.850 5.723 1
1 498 . 1 1 1 A 45 45 VAL H H 45 8.206 7.497 0.709 1
1 499 . 1 1 1 A 45 45 VAL HA H 45 4.360 4.461 -0.101 1
1 504 . 1 1 1 A 45 45 VAL C C 45 176.263 173.435 2.828 1
1 505 . 1 1 1 A 45 45 VAL CA C 45 63.120 60.907 2.213 1
1 506 . 1 1 1 A 45 45 VAL CB C 45 32.386 34.097 -1.711 1
1 509 . 1 1 1 A 45 45 VAL N N 45 122.385 116.939 5.446 1
1 510 . 1 1 1 A 46 46 ILE H H 46 8.045 8.552 -0.507 1
1 511 . 1 1 1 A 46 46 ILE HA H 46 4.138 4.700 -0.562 1
1 518 . 1 1 1 A 46 46 ILE C C 46 176.573 175.881 0.692 1
1 519 . 1 1 1 A 46 46 ILE CA C 46 61.413 60.208 1.205 1
1 520 . 1 1 1 A 46 46 ILE CB C 46 38.356 42.153 -3.797 1
1 524 . 1 1 1 A 46 46 ILE N N 46 125.491 128.139 -2.648 1
1 525 . 1 1 1 A 47 47 ILE H H 47 8.332 8.544 -0.212 1
1 526 . 1 1 1 A 47 47 ILE HA H 47 4.177 4.162 0.015 1
1 533 . 1 1 1 A 47 47 ILE C C 47 176.554 175.207 1.347 1
1 534 . 1 1 1 A 47 47 ILE CA C 47 61.374 60.646 0.728 1
1 535 . 1 1 1 A 47 47 ILE CB C 47 38.377 39.693 -1.316 1
1 539 . 1 1 1 A 47 47 ILE N N 47 126.147 125.166 0.981 1
1 540 . 1 1 1 A 48 48 GLU H H 48 8.587 8.518 0.069 1
1 541 . 1 1 1 A 48 48 GLU HA H 48 4.141 4.852 -0.711 1
1 544 . 1 1 1 A 48 48 GLU C C 48 176.290 175.419 0.871 1
1 545 . 1 1 1 A 48 48 GLU CA C 48 56.867 54.532 2.335 1
1 546 . 1 1 1 A 48 48 GLU CB C 48 30.160 32.688 -2.528 1
1 548 . 1 1 1 A 48 48 GLU N N 48 125.278 120.930 4.348 1
1 549 . 1 1 1 A 49 49 GLN H H 49 8.521 8.639 -0.118 1
1 550 . 1 1 1 A 49 49 GLN HA H 49 4.313 4.808 -0.495 1
1 555 . 1 1 1 A 49 49 GLN C C 49 175.798 175.043 0.755 1
1 556 . 1 1 1 A 49 49 GLN CA C 49 55.936 55.222 0.714 1
1 557 . 1 1 1 A 49 49 GLN CB C 49 29.328 29.772 -0.444 1
1 559 . 1 1 1 A 49 49 GLN N N 49 125.675 119.963 5.712 1
1 560 . 1 1 1 A 50 50 ALA H H 50 8.414 8.748 -0.334 1
1 561 . 1 1 1 A 50 50 ALA HA H 50 4.356 4.381 -0.025 1
1 565 . 1 1 1 A 50 50 ALA C C 50 177.553 178.080 -0.527 1
1 566 . 1 1 1 A 50 50 ALA CA C 50 52.833 51.709 1.124 1
1 567 . 1 1 1 A 50 50 ALA CB C 50 19.162 19.193 -0.031 1
1 568 . 1 1 1 A 50 50 ALA N N 50 124.988 125.958 -0.970 1
1 569 . 1 1 1 A 51 51 ASN H H 51 8.467 8.910 -0.443 1
1 570 . 1 1 1 A 51 51 ASN HA H 51 4.738 4.563 0.175 1
1 573 . 1 1 1 A 51 51 ASN C C 51 174.232 175.627 -1.395 1
1 574 . 1 1 1 A 51 51 ASN CA C 51 53.358 55.490 -2.132 1
1 575 . 1 1 1 A 51 51 ASN CB C 51 38.847 39.139 -0.292 1
1 576 . 1 1 1 A 51 51 ASN N N 51 118.053 122.877 -4.824 1
1 577 . 1 1 1 A 52 52 LYS H H 52 7.943 7.811 0.132 1
1 578 . 1 1 1 A 52 52 LYS HA H 52 4.195 4.456 -0.261 1
1 583 . 1 1 1 A 52 52 LYS CA C 52 57.852 57.522 0.330 1
1 584 . 1 1 1 A 52 52 LYS CB C 52 33.585 35.243 -1.658 1
1 11 . 2 1 1 A 2 2 ALA H H 2 8.426 8.348 0.078 1
1 12 . 2 1 1 A 2 2 ALA HA H 2 4.303 4.369 -0.066 1
1 16 . 2 1 1 A 2 2 ALA C C 2 178.047 177.360 0.687 1
1 17 . 2 1 1 A 2 2 ALA CA C 2 52.957 52.878 0.079 1
1 18 . 2 1 1 A 2 2 ALA CB C 2 19.097 19.895 -0.798 1
1 19 . 2 1 1 A 2 2 ALA N N 2 125.346 121.647 3.699 1
1 20 . 2 1 1 A 3 3 ALA H H 3 8.424 7.790 0.634 1
1 21 . 2 1 1 A 3 3 ALA HA H 3 4.272 4.647 -0.375 1
1 25 . 2 1 1 A 3 3 ALA C C 3 178.831 177.276 1.555 1
1 26 . 2 1 1 A 3 3 ALA CA C 3 53.277 50.707 2.570 1
1 27 . 2 1 1 A 3 3 ALA CB C 3 18.815 20.548 -1.733 1
1 28 . 2 1 1 A 3 3 ALA N N 3 123.135 119.981 3.154 1
1 29 . 2 1 1 A 4 4 ILE H H 4 8.153 8.672 -0.519 1
1 30 . 2 1 1 A 4 4 ILE HA H 4 4.057 4.080 -0.023 1
1 37 . 2 1 1 A 4 4 ILE C C 4 174.367 176.559 -2.192 1
1 38 . 2 1 1 A 4 4 ILE CA C 4 59.667 63.334 -3.667 1
1 39 . 2 1 1 A 4 4 ILE CB C 4 35.772 38.415 -2.643 1
1 43 . 2 1 1 A 4 4 ILE N N 4 120.052 125.526 -5.474 1
1 44 . 2 1 1 A 5 5 GLU H H 5 8.389 7.915 0.474 1
1 45 . 2 1 1 A 5 5 GLU HA H 5 4.242 4.744 -0.502 1
1 50 . 2 1 1 A 5 5 GLU C C 5 177.454 175.464 1.990 1
1 51 . 2 1 1 A 5 5 GLU CA C 5 57.595 55.126 2.469 1
1 52 . 2 1 1 A 5 5 GLU CB C 5 29.925 31.367 -1.442 1
1 54 . 2 1 1 A 5 5 GLU N N 5 123.850 119.871 3.979 1
1 55 . 2 1 1 A 6 6 LYS H H 6 8.359 8.645 -0.286 1
1 56 . 2 1 1 A 6 6 LYS HA H 6 4.232 4.569 -0.337 1
1 65 . 2 1 1 A 6 6 LYS C C 6 178.454 177.390 1.064 1
1 66 . 2 1 1 A 6 6 LYS CA C 6 57.701 55.364 2.337 1
1 67 . 2 1 1 A 6 6 LYS CB C 6 32.786 33.459 -0.673 1
1 71 . 2 1 1 A 6 6 LYS N N 6 122.313 126.084 -3.771 1
1 72 . 2 1 1 A 7 7 ARG H H 7 8.286 7.746 0.540 1
1 73 . 2 1 1 A 7 7 ARG HA H 7 4.302 4.448 -0.146 1
1 78 . 2 1 1 A 7 7 ARG C C 7 177.255 176.391 0.864 1
1 79 . 2 1 1 A 7 7 ARG CA C 7 57.082 56.648 0.434 1
1 80 . 2 1 1 A 7 7 ARG CB C 7 30.301 32.358 -2.057 1
1 83 . 2 1 1 A 7 7 ARG N N 7 121.287 121.226 0.061 1
1 84 . 2 1 1 A 8 8 GLN H H 8 8.441 7.721 0.720 1
1 85 . 2 1 1 A 8 8 GLN CA C 8 57.140 54.535 2.605 1
1 86 . 2 1 1 A 8 8 GLN CB C 8 30.176 28.823 1.353 1
1 87 . 2 1 1 A 8 8 GLN N N 8 120.311 119.389 0.922 1
1 88 . 2 1 1 A 9 9 LYS HA H 9 4.232 4.659 -0.427 1
1 97 . 2 1 1 A 9 9 LYS CA C 9 57.820 55.691 2.129 1
1 98 . 2 1 1 A 9 9 LYS CB C 9 32.862 33.631 -0.769 1
1 102 . 2 1 1 A 10 10 GLU H H 10 8.354 7.967 0.387 1
1 103 . 2 1 1 A 10 10 GLU HA H 10 4.245 4.144 0.101 1
1 109 . 2 1 1 A 10 10 GLU C C 10 178.220 179.117 -0.897 1
1 110 . 2 1 1 A 10 10 GLU CA C 10 57.837 59.381 -1.544 1
1 111 . 2 1 1 A 10 10 GLU CB C 10 29.839 29.136 0.703 1
1 113 . 2 1 1 A 10 10 GLU N N 10 121.036 120.471 0.565 1
1 114 . 2 1 1 A 11 11 ILE H H 11 8.257 7.708 0.549 1
1 115 . 2 1 1 A 11 11 ILE HA H 11 4.025 3.797 0.228 1
1 122 . 2 1 1 A 11 11 ILE C C 11 177.395 177.697 -0.302 1
1 123 . 2 1 1 A 11 11 ILE CA C 11 62.538 64.305 -1.767 1
1 124 . 2 1 1 A 11 11 ILE CB C 11 38.434 37.661 0.773 1
1 128 . 2 1 1 A 11 11 ILE N N 11 121.653 117.960 3.693 1
1 129 . 2 1 1 A 12 12 ALA H H 12 8.371 8.286 0.085 1
1 130 . 2 1 1 A 12 12 ALA HA H 12 4.260 4.039 0.221 1
1 134 . 2 1 1 A 12 12 ALA C C 12 178.875 179.597 -0.722 1
1 135 . 2 1 1 A 12 12 ALA CA C 12 53.762 55.745 -1.983 1
1 136 . 2 1 1 A 12 12 ALA CB C 12 18.717 18.440 0.277 1
1 137 . 2 1 1 A 12 12 ALA N N 12 126.518 123.837 2.681 1
1 138 . 2 1 1 A 13 13 ASP H H 13 8.608 8.277 0.331 1
1 139 . 2 1 1 A 13 13 ASP HA H 13 4.546 4.350 0.196 1
1 142 . 2 1 1 A 13 13 ASP C C 13 177.863 179.752 -1.889 1
1 143 . 2 1 1 A 13 13 ASP CA C 13 55.465 57.124 -1.659 1
1 144 . 2 1 1 A 13 13 ASP CB C 13 40.730 40.207 0.523 1
1 145 . 2 1 1 A 13 13 ASP N N 13 119.841 118.719 1.122 1
1 146 . 2 1 1 A 14 14 GLY H H 14 8.293 8.433 -0.140 1
1 147 . 2 1 1 A 14 14 GLY HA2 H 14 3.998 3.659 0.339 1
1 148 . 2 1 1 A 14 14 GLY HA3 H 14 3.998 3.663 0.335 1
1 149 . 2 1 1 A 14 14 GLY C C 14 172.618 175.515 -2.897 1
1 150 . 2 1 1 A 14 14 GLY CA C 14 43.412 47.328 -3.916 1
1 151 . 2 1 1 A 14 14 GLY N N 14 109.075 109.042 0.033 1
1 152 . 2 1 1 A 15 15 LEU H H 15 8.119 8.234 -0.115 1
1 153 . 2 1 1 A 15 15 LEU HA H 15 4.290 4.113 0.177 1
1 163 . 2 1 1 A 15 15 LEU C C 15 178.215 178.481 -0.266 1
1 164 . 2 1 1 A 15 15 LEU CA C 15 56.113 57.459 -1.346 1
1 165 . 2 1 1 A 15 15 LEU CB C 15 42.109 41.587 0.522 1
1 169 . 2 1 1 A 15 15 LEU N N 15 122.115 123.239 -1.124 1
1 170 . 2 1 1 A 16 16 ALA H H 16 8.293 8.422 -0.129 1
1 171 . 2 1 1 A 16 16 ALA HA H 16 4.315 4.009 0.306 1
1 175 . 2 1 1 A 16 16 ALA C C 16 178.847 179.800 -0.953 1
1 176 . 2 1 1 A 16 16 ALA CA C 16 53.230 55.124 -1.894 1
1 177 . 2 1 1 A 16 16 ALA CB C 16 18.769 17.885 0.884 1
1 178 . 2 1 1 A 16 16 ALA N N 16 123.673 121.013 2.660 1
1 179 . 2 1 1 A 17 17 SER H H 17 8.294 8.051 0.243 1
1 180 . 2 1 1 A 17 17 SER HA H 17 4.405 4.082 0.323 1
1 183 . 2 1 1 A 17 17 SER C C 17 175.446 177.016 -1.570 1
1 184 . 2 1 1 A 17 17 SER CA C 17 59.398 61.502 -2.104 1
1 185 . 2 1 1 A 17 17 SER CB C 17 63.460 63.059 0.401 1
1 186 . 2 1 1 A 17 17 SER N N 17 114.615 113.465 1.150 1
1 187 . 2 1 1 A 18 18 ALA H H 18 8.308 7.873 0.435 1
1 188 . 2 1 1 A 18 18 ALA HA H 18 4.325 4.178 0.147 1
1 192 . 2 1 1 A 18 18 ALA C C 18 178.476 179.477 -1.001 1
1 193 . 2 1 1 A 18 18 ALA CA C 18 53.528 54.868 -1.340 1
1 194 . 2 1 1 A 18 18 ALA CB C 18 18.753 18.430 0.323 1
1 195 . 2 1 1 A 18 18 ALA N N 18 125.710 122.516 3.194 1
1 196 . 2 1 1 A 19 19 GLU H H 19 8.290 8.303 -0.013 1
1 197 . 2 1 1 A 19 19 GLU HA H 19 4.237 3.987 0.250 1
1 202 . 2 1 1 A 19 19 GLU C C 19 177.358 178.953 -1.595 1
1 203 . 2 1 1 A 19 19 GLU CA C 19 57.447 59.688 -2.241 1
1 204 . 2 1 1 A 19 19 GLU CB C 19 29.866 28.969 0.897 1
1 206 . 2 1 1 A 19 19 GLU N N 19 119.387 118.920 0.467 1
1 207 . 2 1 1 A 20 20 ARG H H 20 8.214 8.143 0.071 1
1 208 . 2 1 1 A 20 20 ARG HA H 20 4.244 4.057 0.187 1
1 215 . 2 1 1 A 20 20 ARG C C 20 176.546 178.932 -2.386 1
1 216 . 2 1 1 A 20 20 ARG CA C 20 56.895 58.886 -1.991 1
1 217 . 2 1 1 A 20 20 ARG CB C 20 30.596 30.311 0.285 1
1 220 . 2 1 1 A 20 20 ARG N N 20 121.283 118.760 2.523 1
1 221 . 2 1 1 A 21 21 ALA H H 21 8.247 7.531 0.716 1
1 222 . 2 1 1 A 21 21 ALA HA H 21 4.279 4.133 0.146 1
1 226 . 2 1 1 A 21 21 ALA C C 21 178.212 180.334 -2.122 1
1 227 . 2 1 1 A 21 21 ALA CA C 21 53.059 55.131 -2.072 1
1 228 . 2 1 1 A 21 21 ALA CB C 21 18.827 18.723 0.104 1
1 229 . 2 1 1 A 21 21 ALA N N 21 123.697 122.022 1.675 1
1 230 . 2 1 1 A 22 22 HIS H H 22 8.352 8.544 -0.192 1
1 231 . 2 1 1 A 22 22 HIS HA H 22 4.212 4.315 -0.103 1
1 234 . 2 1 1 A 22 22 HIS C C 22 177.321 177.543 -0.222 1
1 235 . 2 1 1 A 22 22 HIS CA C 22 56.652 59.397 -2.745 1
1 236 . 2 1 1 A 22 22 HIS CB C 22 29.845 29.652 0.193 1
1 237 . 2 1 1 A 22 22 HIS N N 22 118.280 116.201 2.079 1
1 238 . 2 1 1 A 23 23 LYS H H 23 8.336 8.423 -0.087 1
1 239 . 2 1 1 A 23 23 LYS HA H 23 4.294 3.832 0.462 1
1 248 . 2 1 1 A 23 23 LYS C C 23 176.700 178.291 -1.591 1
1 249 . 2 1 1 A 23 23 LYS CA C 23 57.000 59.826 -2.826 1
1 250 . 2 1 1 A 23 23 LYS CB C 23 32.797 32.233 0.564 1
1 254 . 2 1 1 A 23 23 LYS N N 23 122.370 120.167 2.203 1
1 255 . 2 1 1 A 24 24 ASP H H 24 8.537 8.347 0.190 1
1 256 . 2 1 1 A 24 24 ASP HA H 24 4.581 4.467 0.114 1
1 259 . 2 1 1 A 24 24 ASP C C 24 176.941 178.949 -2.008 1
1 260 . 2 1 1 A 24 24 ASP CA C 24 55.069 57.323 -2.254 1
1 261 . 2 1 1 A 24 24 ASP CB C 24 40.789 40.535 0.254 1
1 262 . 2 1 1 A 24 24 ASP N N 24 121.152 119.652 1.500 1
1 263 . 2 1 1 A 25 25 LEU H H 25 8.215 8.193 0.022 1
1 264 . 2 1 1 A 25 25 LEU HA H 25 4.290 4.035 0.255 1
1 273 . 2 1 1 A 25 25 LEU CA C 25 56.176 58.099 -1.923 1
1 274 . 2 1 1 A 25 25 LEU CB C 25 42.175 41.584 0.591 1
1 278 . 2 1 1 A 25 25 LEU N N 25 122.648 121.017 1.631 1
1 279 . 2 1 1 A 26 26 ASP H H 26 8.363 8.454 -0.091 1
1 280 . 2 1 1 A 26 26 ASP HA H 26 4.577 4.353 0.224 1
1 283 . 2 1 1 A 26 26 ASP C C 26 177.284 178.723 -1.439 1
1 284 . 2 1 1 A 26 26 ASP CA C 26 54.971 57.040 -2.069 1
1 285 . 2 1 1 A 26 26 ASP CB C 26 40.708 40.973 -0.265 1
1 286 . 2 1 1 A 26 26 ASP N N 26 121.040 118.287 2.753 1
1 287 . 2 1 1 A 27 27 LEU H H 27 8.228 8.215 0.013 1
1 288 . 2 1 1 A 27 27 LEU HA H 27 4.309 3.901 0.408 1
1 297 . 2 1 1 A 27 27 LEU C C 27 178.228 178.973 -0.745 1
1 298 . 2 1 1 A 27 27 LEU CA C 27 56.235 57.948 -1.713 1
1 299 . 2 1 1 A 27 27 LEU CB C 27 42.080 41.569 0.511 1
1 303 . 2 1 1 A 27 27 LEU N N 27 122.902 119.596 3.306 1
1 304 . 2 1 1 A 28 28 ALA H H 28 8.226 8.557 -0.331 1
1 305 . 2 1 1 A 28 28 ALA HA H 28 4.313 3.931 0.382 1
1 309 . 2 1 1 A 28 28 ALA C C 28 178.768 179.148 -0.380 1
1 310 . 2 1 1 A 28 28 ALA CA C 28 50.751 55.468 -4.717 1
1 311 . 2 1 1 A 28 28 ALA CB C 28 15.973 18.258 -2.285 1
1 312 . 2 1 1 A 28 28 ALA N N 28 123.394 121.053 2.341 1
1 313 . 2 1 1 A 29 29 LYS H H 29 8.105 8.086 0.019 1
1 314 . 2 1 1 A 29 29 LYS HA H 29 4.273 3.935 0.338 1
1 321 . 2 1 1 A 29 29 LYS C C 29 177.235 178.484 -1.249 1
1 322 . 2 1 1 A 29 29 LYS CA C 29 56.975 59.498 -2.523 1
1 323 . 2 1 1 A 29 29 LYS CB C 29 32.809 32.298 0.511 1
1 327 . 2 1 1 A 29 29 LYS N N 29 119.798 118.319 1.479 1
1 328 . 2 1 1 A 30 30 ALA H H 30 8.256 8.313 -0.057 1
1 329 . 2 1 1 A 30 30 ALA HA H 30 4.333 4.048 0.285 1
1 333 . 2 1 1 A 30 30 ALA C C 30 178.374 179.896 -1.522 1
1 334 . 2 1 1 A 30 30 ALA CA C 30 53.121 55.266 -2.145 1
1 335 . 2 1 1 A 30 30 ALA CB C 30 18.978 18.613 0.365 1
1 336 . 2 1 1 A 30 30 ALA N N 30 124.377 121.456 2.921 1
1 337 . 2 1 1 A 31 31 SER H H 31 8.404 8.309 0.095 1
1 338 . 2 1 1 A 31 31 SER HA H 31 4.484 4.009 0.475 1
1 341 . 2 1 1 A 31 31 SER C C 31 175.050 176.932 -1.882 1
1 342 . 2 1 1 A 31 31 SER CA C 31 58.756 61.782 -3.026 1
1 343 . 2 1 1 A 31 31 SER CB C 31 63.797 62.918 0.879 1
1 344 . 2 1 1 A 31 31 SER N N 31 114.933 113.203 1.730 1
1 345 . 2 1 1 A 32 32 ALA H H 32 8.419 8.088 0.331 1
1 346 . 2 1 1 A 32 32 ALA HA H 32 4.414 4.113 0.301 1
1 350 . 2 1 1 A 32 32 ALA C C 32 178.933 179.844 -0.911 1
1 351 . 2 1 1 A 32 32 ALA CA C 32 53.555 55.224 -1.669 1
1 352 . 2 1 1 A 32 32 ALA CB C 32 18.785 18.712 0.073 1
1 353 . 2 1 1 A 32 32 ALA N N 32 125.821 122.919 2.902 1
1 354 . 2 1 1 A 33 33 THR H H 33 8.216 8.382 -0.166 1
1 355 . 2 1 1 A 33 33 THR HA H 33 4.364 3.833 0.531 1
1 358 . 2 1 1 A 33 33 THR C C 33 175.345 176.185 -0.840 1
1 359 . 2 1 1 A 33 33 THR CA C 33 63.424 67.319 -3.895 1
1 360 . 2 1 1 A 33 33 THR CB C 33 69.432 68.596 0.836 1
1 361 . 2 1 1 A 33 33 THR N N 33 112.980 114.796 -1.816 1
1 362 . 2 1 1 A 34 34 ASP H H 34 8.332 8.524 -0.192 1
1 363 . 2 1 1 A 34 34 ASP HA H 34 4.560 4.267 0.293 1
1 366 . 2 1 1 A 34 34 ASP C C 34 177.331 178.949 -1.618 1
1 367 . 2 1 1 A 34 34 ASP CA C 34 55.611 57.427 -1.816 1
1 368 . 2 1 1 A 34 34 ASP CB C 34 40.819 40.082 0.737 1
1 369 . 2 1 1 A 34 34 ASP N N 34 122.777 119.772 3.005 1
1 370 . 2 1 1 A 35 35 GLN H H 35 8.376 8.156 0.220 1
1 371 . 2 1 1 A 35 35 GLN HA H 35 4.225 3.921 0.304 1
1 376 . 2 1 1 A 35 35 GLN C C 35 177.216 178.777 -1.561 1
1 377 . 2 1 1 A 35 35 GLN CA C 35 57.159 58.939 -1.780 1
1 378 . 2 1 1 A 35 35 GLN CB C 35 28.840 28.521 0.319 1
1 380 . 2 1 1 A 35 35 GLN N N 35 120.161 118.330 1.831 1
1 381 . 2 1 1 A 36 36 LEU H H 36 8.152 8.552 -0.400 1
1 382 . 2 1 1 A 36 36 LEU HA H 36 4.325 3.946 0.379 1
1 391 . 2 1 1 A 36 36 LEU C C 36 178.245 178.308 -0.063 1
1 392 . 2 1 1 A 36 36 LEU CA C 36 56.382 57.939 -1.557 1
1 393 . 2 1 1 A 36 36 LEU CB C 36 41.952 41.549 0.403 1
1 397 . 2 1 1 A 36 36 LEU N N 36 121.719 120.533 1.186 1
1 398 . 2 1 1 A 37 37 LYS H H 37 8.140 8.523 -0.383 1
1 399 . 2 1 1 A 37 37 LYS HA H 37 4.245 3.901 0.344 1
1 408 . 2 1 1 A 37 37 LYS C C 37 177.582 178.586 -1.004 1
1 409 . 2 1 1 A 37 37 LYS CA C 37 57.518 59.856 -2.338 1
1 410 . 2 1 1 A 37 37 LYS CB C 37 32.662 32.648 0.014 1
1 414 . 2 1 1 A 37 37 LYS N N 37 121.035 119.710 1.325 1
1 415 . 2 1 1 A 38 38 LYS H H 38 8.200 7.972 0.228 1
1 416 . 2 1 1 A 38 38 LYS HA H 38 4.259 4.039 0.220 1
1 425 . 2 1 1 A 38 38 LYS C C 38 177.094 178.470 -1.376 1
1 426 . 2 1 1 A 38 38 LYS CA C 38 57.200 59.422 -2.222 1
1 427 . 2 1 1 A 38 38 LYS CB C 38 32.881 32.268 0.613 1
1 431 . 2 1 1 A 38 38 LYS N N 38 121.951 119.176 2.775 1
1 432 . 2 1 1 A 39 39 ALA H H 39 8.310 8.326 -0.016 1
1 433 . 2 1 1 A 39 39 ALA HA H 39 4.297 4.084 0.213 1
1 437 . 2 1 1 A 39 39 ALA C C 39 178.705 179.867 -1.162 1
1 438 . 2 1 1 A 39 39 ALA CA C 39 53.083 55.314 -2.231 1
1 439 . 2 1 1 A 39 39 ALA CB C 39 18.859 18.192 0.667 1
1 440 . 2 1 1 A 39 39 ALA N N 39 124.850 121.058 3.792 1
1 441 . 2 1 1 A 40 40 LYS H H 40 8.322 8.514 -0.192 1
1 442 . 2 1 1 A 40 40 LYS HA H 40 4.257 3.970 0.287 1
1 451 . 2 1 1 A 40 40 LYS C C 40 176.957 178.778 -1.821 1
1 452 . 2 1 1 A 40 40 LYS CA C 40 57.048 59.418 -2.370 1
1 453 . 2 1 1 A 40 40 LYS CB C 40 32.890 32.348 0.542 1
1 457 . 2 1 1 A 40 40 LYS N N 40 120.538 117.034 3.504 1
1 458 . 2 1 1 A 41 41 ALA H H 41 8.292 8.286 0.006 1
1 459 . 2 1 1 A 41 41 ALA HA H 41 4.328 4.100 0.228 1
1 463 . 2 1 1 A 41 41 ALA C C 41 178.535 180.543 -2.008 1
1 464 . 2 1 1 A 41 41 ALA CA C 41 53.106 55.096 -1.990 1
1 465 . 2 1 1 A 41 41 ALA CB C 41 18.889 18.337 0.552 1
1 466 . 2 1 1 A 41 41 ALA N N 41 124.385 121.734 2.651 1
1 467 . 2 1 1 A 42 42 GLU H H 42 8.441 8.300 0.141 1
1 468 . 2 1 1 A 42 42 GLU HA H 42 4.275 4.000 0.275 1
1 473 . 2 1 1 A 42 42 GLU C C 42 176.846 179.096 -2.250 1
1 474 . 2 1 1 A 42 42 GLU CA C 42 57.031 59.069 -2.038 1
1 475 . 2 1 1 A 42 42 GLU CB C 42 30.151 29.515 0.636 1
1 477 . 2 1 1 A 42 42 GLU N N 42 120.022 118.377 1.645 1
1 478 . 2 1 1 A 43 43 ALA H H 43 8.276 7.920 0.356 1
1 479 . 2 1 1 A 43 43 ALA HA H 43 4.306 4.141 0.165 1
1 483 . 2 1 1 A 43 43 ALA C C 43 178.055 177.924 0.131 1
1 484 . 2 1 1 A 43 43 ALA CA C 43 52.974 53.981 -1.007 1
1 485 . 2 1 1 A 43 43 ALA CB C 43 18.903 18.606 0.297 1
1 486 . 2 1 1 A 43 43 ALA N N 43 124.119 120.978 3.141 1
1 487 . 2 1 1 A 44 44 GLN H H 44 8.312 7.782 0.530 1
1 488 . 2 1 1 A 44 44 GLN HA H 44 4.310 4.634 -0.324 1
1 493 . 2 1 1 A 44 44 GLN C C 44 176.174 174.562 1.612 1
1 494 . 2 1 1 A 44 44 GLN CA C 44 56.154 54.610 1.544 1
1 495 . 2 1 1 A 44 44 GLN CB C 44 29.285 29.926 -0.641 1
1 497 . 2 1 1 A 44 44 GLN N N 44 119.573 117.061 2.512 1
1 498 . 2 1 1 A 45 45 VAL H H 45 8.206 8.771 -0.565 1
1 499 . 2 1 1 A 45 45 VAL HA H 45 4.360 4.317 0.043 1
1 504 . 2 1 1 A 45 45 VAL C C 45 176.263 175.055 1.208 1
1 505 . 2 1 1 A 45 45 VAL CA C 45 63.120 63.049 0.071 1
1 506 . 2 1 1 A 45 45 VAL CB C 45 32.386 30.664 1.722 1
1 509 . 2 1 1 A 45 45 VAL N N 45 122.385 125.993 -3.608 1
1 510 . 2 1 1 A 46 46 ILE H H 46 8.045 8.346 -0.301 1
1 511 . 2 1 1 A 46 46 ILE HA H 46 4.138 5.049 -0.911 1
1 518 . 2 1 1 A 46 46 ILE C C 46 176.573 173.456 3.117 1
1 519 . 2 1 1 A 46 46 ILE CA C 46 61.413 59.431 1.982 1
1 520 . 2 1 1 A 46 46 ILE CB C 46 38.356 42.213 -3.857 1
1 524 . 2 1 1 A 46 46 ILE N N 46 125.491 128.102 -2.611 1
1 525 . 2 1 1 A 47 47 ILE H H 47 8.332 8.974 -0.642 1
1 526 . 2 1 1 A 47 47 ILE HA H 47 4.177 4.997 -0.820 1
1 533 . 2 1 1 A 47 47 ILE C C 47 176.554 173.874 2.680 1
1 534 . 2 1 1 A 47 47 ILE CA C 47 61.374 59.159 2.215 1
1 535 . 2 1 1 A 47 47 ILE CB C 47 38.377 42.495 -4.118 1
1 539 . 2 1 1 A 47 47 ILE N N 47 126.147 127.106 -0.959 1
1 540 . 2 1 1 A 48 48 GLU H H 48 8.587 9.057 -0.470 1
1 541 . 2 1 1 A 48 48 GLU HA H 48 4.141 5.057 -0.916 1
1 544 . 2 1 1 A 48 48 GLU C C 48 176.290 174.942 1.348 1
1 545 . 2 1 1 A 48 48 GLU CA C 48 56.867 54.693 2.174 1
1 546 . 2 1 1 A 48 48 GLU CB C 48 30.160 31.564 -1.404 1
1 548 . 2 1 1 A 48 48 GLU N N 48 125.278 127.388 -2.110 1
1 549 . 2 1 1 A 49 49 GLN H H 49 8.521 8.778 -0.257 1
1 550 . 2 1 1 A 49 49 GLN HA H 49 4.313 4.214 0.099 1
1 555 . 2 1 1 A 49 49 GLN C C 49 175.798 175.362 0.436 1
1 556 . 2 1 1 A 49 49 GLN CA C 49 55.936 56.665 -0.729 1
1 557 . 2 1 1 A 49 49 GLN CB C 49 29.328 29.215 0.113 1
1 559 . 2 1 1 A 49 49 GLN N N 49 125.675 126.337 -0.662 1
1 560 . 2 1 1 A 50 50 ALA H H 50 8.414 8.504 -0.090 1
1 561 . 2 1 1 A 50 50 ALA HA H 50 4.356 5.036 -0.680 1
1 565 . 2 1 1 A 50 50 ALA C C 50 177.553 176.810 0.743 1
1 566 . 2 1 1 A 50 50 ALA CA C 50 52.833 51.145 1.688 1
1 567 . 2 1 1 A 50 50 ALA CB C 50 19.162 20.260 -1.098 1
1 568 . 2 1 1 A 50 50 ALA N N 50 124.988 129.342 -4.354 1
1 569 . 2 1 1 A 51 51 ASN H H 51 8.467 8.623 -0.156 1
1 570 . 2 1 1 A 51 51 ASN HA H 51 4.738 5.166 -0.428 1
1 573 . 2 1 1 A 51 51 ASN C C 51 174.232 174.723 -0.491 1
1 574 . 2 1 1 A 51 51 ASN CA C 51 53.358 52.353 1.005 1
1 575 . 2 1 1 A 51 51 ASN CB C 51 38.847 42.745 -3.898 1
1 576 . 2 1 1 A 51 51 ASN N N 51 118.053 119.842 -1.789 1
1 577 . 2 1 1 A 52 52 LYS H H 52 7.943 8.428 -0.485 1
1 578 . 2 1 1 A 52 52 LYS HA H 52 4.195 4.229 -0.034 1
1 583 . 2 1 1 A 52 52 LYS CA C 52 57.852 56.422 1.430 1
1 584 . 2 1 1 A 52 52 LYS CB C 52 33.585 32.938 0.647 1
1 11 . 3 1 1 A 2 2 ALA H H 2 8.426 8.371 0.055 1
1 12 . 3 1 1 A 2 2 ALA HA H 2 4.303 4.365 -0.062 1
1 16 . 3 1 1 A 2 2 ALA C C 2 178.047 176.370 1.677 1
1 17 . 3 1 1 A 2 2 ALA CA C 2 52.957 51.951 1.006 1
1 18 . 3 1 1 A 2 2 ALA CB C 2 19.097 19.985 -0.888 1
1 19 . 3 1 1 A 2 2 ALA N N 2 125.346 125.709 -0.363 1
1 20 . 3 1 1 A 3 3 ALA H H 3 8.424 8.203 0.221 1
1 21 . 3 1 1 A 3 3 ALA HA H 3 4.272 4.953 -0.681 1
1 25 . 3 1 1 A 3 3 ALA C C 3 178.831 178.661 0.170 1
1 26 . 3 1 1 A 3 3 ALA CA C 3 53.277 50.339 2.938 1
1 27 . 3 1 1 A 3 3 ALA CB C 3 18.815 21.689 -2.874 1
1 28 . 3 1 1 A 3 3 ALA N N 3 123.135 119.931 3.204 1
1 29 . 3 1 1 A 4 4 ILE H H 4 8.153 8.743 -0.590 1
1 30 . 3 1 1 A 4 4 ILE HA H 4 4.057 3.814 0.243 1
1 37 . 3 1 1 A 4 4 ILE C C 4 174.367 177.742 -3.375 1
1 38 . 3 1 1 A 4 4 ILE CA C 4 59.667 63.819 -4.152 1
1 39 . 3 1 1 A 4 4 ILE CB C 4 35.772 37.807 -2.035 1
1 43 . 3 1 1 A 4 4 ILE N N 4 120.052 121.563 -1.511 1
1 44 . 3 1 1 A 5 5 GLU H H 5 8.389 8.387 0.002 1
1 45 . 3 1 1 A 5 5 GLU HA H 5 4.242 4.252 -0.010 1
1 50 . 3 1 1 A 5 5 GLU C C 5 177.454 176.537 0.917 1
1 51 . 3 1 1 A 5 5 GLU CA C 5 57.595 58.732 -1.137 1
1 52 . 3 1 1 A 5 5 GLU CB C 5 29.925 28.890 1.035 1
1 54 . 3 1 1 A 5 5 GLU N N 5 123.850 120.493 3.357 1
1 55 . 3 1 1 A 6 6 LYS H H 6 8.359 7.582 0.777 1
1 56 . 3 1 1 A 6 6 LYS HA H 6 4.232 4.118 0.114 1
1 65 . 3 1 1 A 6 6 LYS C C 6 178.454 176.512 1.942 1
1 66 . 3 1 1 A 6 6 LYS CA C 6 57.701 56.425 1.276 1
1 67 . 3 1 1 A 6 6 LYS CB C 6 32.786 33.074 -0.288 1
1 71 . 3 1 1 A 6 6 LYS N N 6 122.313 121.325 0.988 1
1 72 . 3 1 1 A 7 7 ARG H H 7 8.286 8.551 -0.265 1
1 73 . 3 1 1 A 7 7 ARG HA H 7 4.302 4.611 -0.309 1
1 78 . 3 1 1 A 7 7 ARG C C 7 177.255 175.739 1.516 1
1 79 . 3 1 1 A 7 7 ARG CA C 7 57.082 54.574 2.508 1
1 80 . 3 1 1 A 7 7 ARG CB C 7 30.301 32.103 -1.802 1
1 83 . 3 1 1 A 7 7 ARG N N 7 121.287 124.919 -3.632 1
1 84 . 3 1 1 A 8 8 GLN H H 8 8.441 8.528 -0.087 1
1 85 . 3 1 1 A 8 8 GLN CA C 8 57.140 54.633 2.507 1
1 86 . 3 1 1 A 8 8 GLN CB C 8 30.176 30.782 -0.606 1
1 87 . 3 1 1 A 8 8 GLN N N 8 120.311 119.115 1.196 1
1 88 . 3 1 1 A 9 9 LYS HA H 9 4.232 4.462 -0.230 1
1 97 . 3 1 1 A 9 9 LYS CA C 9 57.820 55.148 2.672 1
1 98 . 3 1 1 A 9 9 LYS CB C 9 32.862 30.456 2.406 1
1 102 . 3 1 1 A 10 10 GLU H H 10 8.354 8.106 0.248 1
1 103 . 3 1 1 A 10 10 GLU HA H 10 4.245 4.257 -0.012 1
1 109 . 3 1 1 A 10 10 GLU C C 10 178.220 178.816 -0.596 1
1 110 . 3 1 1 A 10 10 GLU CA C 10 57.837 58.906 -1.069 1
1 111 . 3 1 1 A 10 10 GLU CB C 10 29.839 29.898 -0.059 1
1 113 . 3 1 1 A 10 10 GLU N N 10 121.036 120.708 0.328 1
1 114 . 3 1 1 A 11 11 ILE H H 11 8.257 8.069 0.188 1
1 115 . 3 1 1 A 11 11 ILE HA H 11 4.025 3.632 0.393 1
1 122 . 3 1 1 A 11 11 ILE C C 11 177.395 177.812 -0.417 1
1 123 . 3 1 1 A 11 11 ILE CA C 11 62.538 65.619 -3.081 1
1 124 . 3 1 1 A 11 11 ILE CB C 11 38.434 37.712 0.722 1
1 128 . 3 1 1 A 11 11 ILE N N 11 121.653 121.386 0.267 1
1 129 . 3 1 1 A 12 12 ALA H H 12 8.371 8.314 0.057 1
1 130 . 3 1 1 A 12 12 ALA HA H 12 4.260 3.940 0.320 1
1 134 . 3 1 1 A 12 12 ALA C C 12 178.875 179.354 -0.479 1
1 135 . 3 1 1 A 12 12 ALA CA C 12 53.762 55.868 -2.106 1
1 136 . 3 1 1 A 12 12 ALA CB C 12 18.717 18.246 0.471 1
1 137 . 3 1 1 A 12 12 ALA N N 12 126.518 121.795 4.723 1
1 138 . 3 1 1 A 13 13 ASP H H 13 8.608 8.360 0.248 1
1 139 . 3 1 1 A 13 13 ASP HA H 13 4.546 4.370 0.176 1
1 142 . 3 1 1 A 13 13 ASP C C 13 177.863 179.620 -1.757 1
1 143 . 3 1 1 A 13 13 ASP CA C 13 55.465 57.178 -1.713 1
1 144 . 3 1 1 A 13 13 ASP CB C 13 40.730 40.582 0.148 1
1 145 . 3 1 1 A 13 13 ASP N N 13 119.841 118.892 0.949 1
1 146 . 3 1 1 A 14 14 GLY H H 14 8.293 8.539 -0.246 1
1 147 . 3 1 1 A 14 14 GLY HA2 H 14 3.998 3.687 0.311 1
1 148 . 3 1 1 A 14 14 GLY HA3 H 14 3.998 3.689 0.309 1
1 149 . 3 1 1 A 14 14 GLY C C 14 172.618 175.522 -2.904 1
1 150 . 3 1 1 A 14 14 GLY CA C 14 43.412 47.347 -3.935 1
1 151 . 3 1 1 A 14 14 GLY N N 14 109.075 108.023 1.052 1
1 152 . 3 1 1 A 15 15 LEU H H 15 8.119 8.293 -0.174 1
1 153 . 3 1 1 A 15 15 LEU HA H 15 4.290 4.088 0.202 1
1 163 . 3 1 1 A 15 15 LEU C C 15 178.215 178.366 -0.151 1
1 164 . 3 1 1 A 15 15 LEU CA C 15 56.113 57.744 -1.631 1
1 165 . 3 1 1 A 15 15 LEU CB C 15 42.109 41.612 0.497 1
1 169 . 3 1 1 A 15 15 LEU N N 15 122.115 123.169 -1.054 1
1 170 . 3 1 1 A 16 16 ALA H H 16 8.293 8.497 -0.204 1
1 171 . 3 1 1 A 16 16 ALA HA H 16 4.315 4.038 0.277 1
1 175 . 3 1 1 A 16 16 ALA C C 16 178.847 179.967 -1.120 1
1 176 . 3 1 1 A 16 16 ALA CA C 16 53.230 55.170 -1.940 1
1 177 . 3 1 1 A 16 16 ALA CB C 16 18.769 18.022 0.747 1
1 178 . 3 1 1 A 16 16 ALA N N 16 123.673 121.034 2.639 1
1 179 . 3 1 1 A 17 17 SER H H 17 8.294 8.113 0.181 1
1 180 . 3 1 1 A 17 17 SER HA H 17 4.405 4.108 0.297 1
1 183 . 3 1 1 A 17 17 SER C C 17 175.446 177.019 -1.573 1
1 184 . 3 1 1 A 17 17 SER CA C 17 59.398 61.483 -2.085 1
1 185 . 3 1 1 A 17 17 SER CB C 17 63.460 63.055 0.405 1
1 186 . 3 1 1 A 17 17 SER N N 17 114.615 113.529 1.086 1
1 187 . 3 1 1 A 18 18 ALA H H 18 8.308 7.972 0.336 1
1 188 . 3 1 1 A 18 18 ALA HA H 18 4.325 4.153 0.172 1
1 192 . 3 1 1 A 18 18 ALA C C 18 178.476 179.402 -0.926 1
1 193 . 3 1 1 A 18 18 ALA CA C 18 53.528 54.826 -1.298 1
1 194 . 3 1 1 A 18 18 ALA CB C 18 18.753 18.452 0.301 1
1 195 . 3 1 1 A 18 18 ALA N N 18 125.710 122.583 3.127 1
1 196 . 3 1 1 A 19 19 GLU H H 19 8.290 8.361 -0.071 1
1 197 . 3 1 1 A 19 19 GLU HA H 19 4.237 4.055 0.182 1
1 202 . 3 1 1 A 19 19 GLU C C 19 177.358 178.838 -1.480 1
1 203 . 3 1 1 A 19 19 GLU CA C 19 57.447 59.713 -2.266 1
1 204 . 3 1 1 A 19 19 GLU CB C 19 29.866 28.998 0.868 1
1 206 . 3 1 1 A 19 19 GLU N N 19 119.387 118.972 0.415 1
1 207 . 3 1 1 A 20 20 ARG H H 20 8.214 8.176 0.038 1
1 208 . 3 1 1 A 20 20 ARG HA H 20 4.244 4.018 0.226 1
1 215 . 3 1 1 A 20 20 ARG C C 20 176.546 178.226 -1.680 1
1 216 . 3 1 1 A 20 20 ARG CA C 20 56.895 59.109 -2.214 1
1 217 . 3 1 1 A 20 20 ARG CB C 20 30.596 30.053 0.543 1
1 220 . 3 1 1 A 20 20 ARG N N 20 121.283 119.641 1.642 1
1 221 . 3 1 1 A 21 21 ALA H H 21 8.247 7.390 0.857 1
1 222 . 3 1 1 A 21 21 ALA HA H 21 4.279 4.131 0.148 1
1 226 . 3 1 1 A 21 21 ALA C C 21 178.212 179.606 -1.394 1
1 227 . 3 1 1 A 21 21 ALA CA C 21 53.059 55.139 -2.080 1
1 228 . 3 1 1 A 21 21 ALA CB C 21 18.827 18.330 0.497 1
1 229 . 3 1 1 A 21 21 ALA N N 21 123.697 121.781 1.916 1
1 230 . 3 1 1 A 22 22 HIS H H 22 8.352 8.171 0.181 1
1 231 . 3 1 1 A 22 22 HIS HA H 22 4.212 4.259 -0.047 1
1 234 . 3 1 1 A 22 22 HIS C C 22 177.321 176.871 0.450 1
1 235 . 3 1 1 A 22 22 HIS CA C 22 56.652 59.645 -2.993 1
1 236 . 3 1 1 A 22 22 HIS CB C 22 29.845 29.853 -0.008 1
1 237 . 3 1 1 A 22 22 HIS N N 22 118.280 118.099 0.181 1
1 238 . 3 1 1 A 23 23 LYS H H 23 8.336 8.482 -0.146 1
1 239 . 3 1 1 A 23 23 LYS HA H 23 4.294 3.724 0.570 1
1 248 . 3 1 1 A 23 23 LYS C C 23 176.700 178.490 -1.790 1
1 249 . 3 1 1 A 23 23 LYS CA C 23 57.000 59.648 -2.648 1
1 250 . 3 1 1 A 23 23 LYS CB C 23 32.797 32.245 0.552 1
1 254 . 3 1 1 A 23 23 LYS N N 23 122.370 117.337 5.033 1
1 255 . 3 1 1 A 24 24 ASP H H 24 8.537 8.200 0.337 1
1 256 . 3 1 1 A 24 24 ASP HA H 24 4.581 4.327 0.254 1
1 259 . 3 1 1 A 24 24 ASP C C 24 176.941 178.472 -1.531 1
1 260 . 3 1 1 A 24 24 ASP CA C 24 55.069 57.749 -2.680 1
1 261 . 3 1 1 A 24 24 ASP CB C 24 40.789 41.571 -0.782 1
1 262 . 3 1 1 A 24 24 ASP N N 24 121.152 119.962 1.190 1
1 263 . 3 1 1 A 25 25 LEU H H 25 8.215 8.445 -0.230 1
1 264 . 3 1 1 A 25 25 LEU HA H 25 4.290 3.904 0.386 1
1 273 . 3 1 1 A 25 25 LEU CA C 25 56.176 58.263 -2.087 1
1 274 . 3 1 1 A 25 25 LEU CB C 25 42.175 41.694 0.481 1
1 278 . 3 1 1 A 25 25 LEU N N 25 122.648 120.224 2.424 1
1 279 . 3 1 1 A 26 26 ASP H H 26 8.363 8.218 0.145 1
1 280 . 3 1 1 A 26 26 ASP HA H 26 4.577 4.197 0.380 1
1 283 . 3 1 1 A 26 26 ASP C C 26 177.284 177.977 -0.693 1
1 284 . 3 1 1 A 26 26 ASP CA C 26 54.971 57.200 -2.229 1
1 285 . 3 1 1 A 26 26 ASP CB C 26 40.708 41.329 -0.621 1
1 286 . 3 1 1 A 26 26 ASP N N 26 121.040 118.732 2.308 1
1 287 . 3 1 1 A 27 27 LEU H H 27 8.228 8.064 0.164 1
1 288 . 3 1 1 A 27 27 LEU HA H 27 4.309 4.076 0.233 1
1 297 . 3 1 1 A 27 27 LEU C C 27 178.228 178.365 -0.137 1
1 298 . 3 1 1 A 27 27 LEU CA C 27 56.235 58.051 -1.816 1
1 299 . 3 1 1 A 27 27 LEU CB C 27 42.080 41.419 0.661 1
1 303 . 3 1 1 A 27 27 LEU N N 27 122.902 120.486 2.416 1
1 304 . 3 1 1 A 28 28 ALA H H 28 8.226 8.409 -0.183 1
1 305 . 3 1 1 A 28 28 ALA HA H 28 4.313 4.069 0.244 1
1 309 . 3 1 1 A 28 28 ALA C C 28 178.768 179.188 -0.420 1
1 310 . 3 1 1 A 28 28 ALA CA C 28 50.751 55.732 -4.981 1
1 311 . 3 1 1 A 28 28 ALA CB C 28 15.973 18.357 -2.384 1
1 312 . 3 1 1 A 28 28 ALA N N 28 123.394 121.556 1.838 1
1 313 . 3 1 1 A 29 29 LYS H H 29 8.105 8.464 -0.359 1
1 314 . 3 1 1 A 29 29 LYS HA H 29 4.273 3.920 0.353 1
1 321 . 3 1 1 A 29 29 LYS C C 29 177.235 178.355 -1.120 1
1 322 . 3 1 1 A 29 29 LYS CA C 29 56.975 59.698 -2.723 1
1 323 . 3 1 1 A 29 29 LYS CB C 29 32.809 32.415 0.394 1
1 327 . 3 1 1 A 29 29 LYS N N 29 119.798 118.129 1.669 1
1 328 . 3 1 1 A 30 30 ALA H H 30 8.256 8.306 -0.050 1
1 329 . 3 1 1 A 30 30 ALA HA H 30 4.333 4.061 0.272 1
1 333 . 3 1 1 A 30 30 ALA C C 30 178.374 179.765 -1.391 1
1 334 . 3 1 1 A 30 30 ALA CA C 30 53.121 55.262 -2.141 1
1 335 . 3 1 1 A 30 30 ALA CB C 30 18.978 18.683 0.295 1
1 336 . 3 1 1 A 30 30 ALA N N 30 124.377 120.759 3.618 1
1 337 . 3 1 1 A 31 31 SER H H 31 8.404 8.365 0.039 1
1 338 . 3 1 1 A 31 31 SER HA H 31 4.484 4.062 0.422 1
1 341 . 3 1 1 A 31 31 SER C C 31 175.050 176.851 -1.801 1
1 342 . 3 1 1 A 31 31 SER CA C 31 58.756 61.394 -2.638 1
1 343 . 3 1 1 A 31 31 SER CB C 31 63.797 62.979 0.818 1
1 344 . 3 1 1 A 31 31 SER N N 31 114.933 112.807 2.126 1
1 345 . 3 1 1 A 32 32 ALA H H 32 8.419 8.105 0.314 1
1 346 . 3 1 1 A 32 32 ALA HA H 32 4.414 4.088 0.326 1
1 350 . 3 1 1 A 32 32 ALA C C 32 178.933 179.739 -0.806 1
1 351 . 3 1 1 A 32 32 ALA CA C 32 53.555 55.155 -1.600 1
1 352 . 3 1 1 A 32 32 ALA CB C 32 18.785 18.571 0.214 1
1 353 . 3 1 1 A 32 32 ALA N N 32 125.821 123.469 2.352 1
1 354 . 3 1 1 A 33 33 THR H H 33 8.216 8.226 -0.010 1
1 355 . 3 1 1 A 33 33 THR HA H 33 4.364 3.937 0.427 1
1 358 . 3 1 1 A 33 33 THR C C 33 175.345 176.481 -1.136 1
1 359 . 3 1 1 A 33 33 THR CA C 33 63.424 65.101 -1.677 1
1 360 . 3 1 1 A 33 33 THR CB C 33 69.432 68.949 0.483 1
1 361 . 3 1 1 A 33 33 THR N N 33 112.980 112.497 0.483 1
1 362 . 3 1 1 A 34 34 ASP H H 34 8.332 8.287 0.045 1
1 363 . 3 1 1 A 34 34 ASP HA H 34 4.560 4.298 0.262 1
1 366 . 3 1 1 A 34 34 ASP C C 34 177.331 178.119 -0.788 1
1 367 . 3 1 1 A 34 34 ASP CA C 34 55.611 57.573 -1.962 1
1 368 . 3 1 1 A 34 34 ASP CB C 34 40.819 41.105 -0.286 1
1 369 . 3 1 1 A 34 34 ASP N N 34 122.777 121.725 1.052 1
1 370 . 3 1 1 A 35 35 GLN H H 35 8.376 8.067 0.309 1
1 371 . 3 1 1 A 35 35 GLN HA H 35 4.225 3.966 0.259 1
1 376 . 3 1 1 A 35 35 GLN C C 35 177.216 178.536 -1.320 1
1 377 . 3 1 1 A 35 35 GLN CA C 35 57.159 58.695 -1.536 1
1 378 . 3 1 1 A 35 35 GLN CB C 35 28.840 28.067 0.773 1
1 380 . 3 1 1 A 35 35 GLN N N 35 120.161 118.982 1.179 1
1 381 . 3 1 1 A 36 36 LEU H H 36 8.152 8.180 -0.028 1
1 382 . 3 1 1 A 36 36 LEU HA H 36 4.325 3.993 0.332 1
1 391 . 3 1 1 A 36 36 LEU C C 36 178.245 178.885 -0.640 1
1 392 . 3 1 1 A 36 36 LEU CA C 36 56.382 57.904 -1.522 1
1 393 . 3 1 1 A 36 36 LEU CB C 36 41.952 41.796 0.156 1
1 397 . 3 1 1 A 36 36 LEU N N 36 121.719 120.763 0.956 1
1 398 . 3 1 1 A 37 37 LYS H H 37 8.140 8.251 -0.111 1
1 399 . 3 1 1 A 37 37 LYS HA H 37 4.245 3.880 0.365 1
1 408 . 3 1 1 A 37 37 LYS C C 37 177.582 178.863 -1.281 1
1 409 . 3 1 1 A 37 37 LYS CA C 37 57.518 59.697 -2.179 1
1 410 . 3 1 1 A 37 37 LYS CB C 37 32.662 32.253 0.409 1
1 414 . 3 1 1 A 37 37 LYS N N 37 121.035 119.036 1.999 1
1 415 . 3 1 1 A 38 38 LYS H H 38 8.200 8.014 0.186 1
1 416 . 3 1 1 A 38 38 LYS HA H 38 4.259 4.115 0.144 1
1 425 . 3 1 1 A 38 38 LYS C C 38 177.094 178.424 -1.330 1
1 426 . 3 1 1 A 38 38 LYS CA C 38 57.200 58.898 -1.698 1
1 427 . 3 1 1 A 38 38 LYS CB C 38 32.881 32.196 0.685 1
1 431 . 3 1 1 A 38 38 LYS N N 38 121.951 118.978 2.973 1
1 432 . 3 1 1 A 39 39 ALA H H 39 8.310 8.610 -0.300 1
1 433 . 3 1 1 A 39 39 ALA HA H 39 4.297 4.081 0.216 1
1 437 . 3 1 1 A 39 39 ALA C C 39 178.705 179.521 -0.816 1
1 438 . 3 1 1 A 39 39 ALA CA C 39 53.083 55.340 -2.257 1
1 439 . 3 1 1 A 39 39 ALA CB C 39 18.859 18.171 0.688 1
1 440 . 3 1 1 A 39 39 ALA N N 39 124.850 121.626 3.224 1
1 441 . 3 1 1 A 40 40 LYS H H 40 8.322 8.120 0.202 1
1 442 . 3 1 1 A 40 40 LYS HA H 40 4.257 4.078 0.179 1
1 451 . 3 1 1 A 40 40 LYS C C 40 176.957 178.963 -2.006 1
1 452 . 3 1 1 A 40 40 LYS CA C 40 57.048 59.052 -2.004 1
1 453 . 3 1 1 A 40 40 LYS CB C 40 32.890 31.926 0.964 1
1 457 . 3 1 1 A 40 40 LYS N N 40 120.538 116.853 3.685 1
1 458 . 3 1 1 A 41 41 ALA H H 41 8.292 8.274 0.018 1
1 459 . 3 1 1 A 41 41 ALA HA H 41 4.328 4.085 0.243 1
1 463 . 3 1 1 A 41 41 ALA C C 41 178.535 179.689 -1.154 1
1 464 . 3 1 1 A 41 41 ALA CA C 41 53.106 55.292 -2.186 1
1 465 . 3 1 1 A 41 41 ALA CB C 41 18.889 18.276 0.613 1
1 466 . 3 1 1 A 41 41 ALA N N 41 124.385 121.705 2.680 1
1 467 . 3 1 1 A 42 42 GLU H H 42 8.441 8.242 0.199 1
1 468 . 3 1 1 A 42 42 GLU HA H 42 4.275 4.081 0.194 1
1 473 . 3 1 1 A 42 42 GLU C C 42 176.846 179.006 -2.160 1
1 474 . 3 1 1 A 42 42 GLU CA C 42 57.031 59.472 -2.441 1
1 475 . 3 1 1 A 42 42 GLU CB C 42 30.151 29.064 1.087 1
1 477 . 3 1 1 A 42 42 GLU N N 42 120.022 116.664 3.358 1
1 478 . 3 1 1 A 43 43 ALA H H 43 8.276 7.981 0.295 1
1 479 . 3 1 1 A 43 43 ALA HA H 43 4.306 4.107 0.199 1
1 483 . 3 1 1 A 43 43 ALA C C 43 178.055 177.625 0.430 1
1 484 . 3 1 1 A 43 43 ALA CA C 43 52.974 54.930 -1.956 1
1 485 . 3 1 1 A 43 43 ALA CB C 43 18.903 18.630 0.273 1
1 486 . 3 1 1 A 43 43 ALA N N 43 124.119 121.749 2.370 1
1 487 . 3 1 1 A 44 44 GLN H H 44 8.312 7.648 0.664 1
1 488 . 3 1 1 A 44 44 GLN HA H 44 4.310 4.731 -0.421 1
1 493 . 3 1 1 A 44 44 GLN C C 44 176.174 175.078 1.096 1
1 494 . 3 1 1 A 44 44 GLN CA C 44 56.154 54.734 1.420 1
1 495 . 3 1 1 A 44 44 GLN CB C 44 29.285 30.460 -1.175 1
1 497 . 3 1 1 A 44 44 GLN N N 44 119.573 114.912 4.661 1
1 498 . 3 1 1 A 45 45 VAL H H 45 8.206 8.609 -0.403 1
1 499 . 3 1 1 A 45 45 VAL HA H 45 4.360 4.151 0.209 1
1 504 . 3 1 1 A 45 45 VAL C C 45 176.263 177.203 -0.940 1
1 505 . 3 1 1 A 45 45 VAL CA C 45 63.120 63.841 -0.721 1
1 506 . 3 1 1 A 45 45 VAL CB C 45 32.386 32.164 0.222 1
1 509 . 3 1 1 A 45 45 VAL N N 45 122.385 121.448 0.937 1
1 510 . 3 1 1 A 46 46 ILE H H 46 8.045 7.808 0.237 1
1 511 . 3 1 1 A 46 46 ILE HA H 46 4.138 4.047 0.091 1
1 518 . 3 1 1 A 46 46 ILE C C 46 176.573 175.873 0.700 1
1 519 . 3 1 1 A 46 46 ILE CA C 46 61.413 62.912 -1.499 1
1 520 . 3 1 1 A 46 46 ILE CB C 46 38.356 38.535 -0.179 1
1 524 . 3 1 1 A 46 46 ILE N N 46 125.491 118.174 7.317 1
1 525 . 3 1 1 A 47 47 ILE H H 47 8.332 7.455 0.877 1
1 526 . 3 1 1 A 47 47 ILE HA H 47 4.177 4.442 -0.265 1
1 533 . 3 1 1 A 47 47 ILE C C 47 176.554 173.149 3.405 1
1 534 . 3 1 1 A 47 47 ILE CA C 47 61.374 59.834 1.540 1
1 535 . 3 1 1 A 47 47 ILE CB C 47 38.377 40.877 -2.500 1
1 539 . 3 1 1 A 47 47 ILE N N 47 126.147 117.543 8.604 1
1 540 . 3 1 1 A 48 48 GLU H H 48 8.587 8.753 -0.166 1
1 541 . 3 1 1 A 48 48 GLU HA H 48 4.141 4.750 -0.609 1
1 544 . 3 1 1 A 48 48 GLU C C 48 176.290 176.009 0.281 1
1 545 . 3 1 1 A 48 48 GLU CA C 48 56.867 55.215 1.652 1
1 546 . 3 1 1 A 48 48 GLU CB C 48 30.160 30.593 -0.433 1
1 548 . 3 1 1 A 48 48 GLU N N 48 125.278 128.292 -3.014 1
1 549 . 3 1 1 A 49 49 GLN H H 49 8.521 8.475 0.046 1
1 550 . 3 1 1 A 49 49 GLN HA H 49 4.313 4.247 0.066 1
1 555 . 3 1 1 A 49 49 GLN C C 49 175.798 175.639 0.159 1
1 556 . 3 1 1 A 49 49 GLN CA C 49 55.936 56.274 -0.338 1
1 557 . 3 1 1 A 49 49 GLN CB C 49 29.328 29.184 0.144 1
1 559 . 3 1 1 A 49 49 GLN N N 49 125.675 124.423 1.252 1
1 560 . 3 1 1 A 50 50 ALA H H 50 8.414 8.811 -0.397 1
1 561 . 3 1 1 A 50 50 ALA HA H 50 4.356 4.683 -0.327 1
1 565 . 3 1 1 A 50 50 ALA C C 50 177.553 176.641 0.912 1
1 566 . 3 1 1 A 50 50 ALA CA C 50 52.833 51.281 1.552 1
1 567 . 3 1 1 A 50 50 ALA CB C 50 19.162 19.106 0.056 1
1 568 . 3 1 1 A 50 50 ALA N N 50 124.988 123.264 1.724 1
1 569 . 3 1 1 A 51 51 ASN H H 51 8.467 8.207 0.260 1
1 570 . 3 1 1 A 51 51 ASN HA H 51 4.738 4.613 0.125 1
1 573 . 3 1 1 A 51 51 ASN C C 51 174.232 175.558 -1.326 1
1 574 . 3 1 1 A 51 51 ASN CA C 51 53.358 53.639 -0.281 1
1 575 . 3 1 1 A 51 51 ASN CB C 51 38.847 39.020 -0.173 1
1 576 . 3 1 1 A 51 51 ASN N N 51 118.053 118.496 -0.443 1
1 577 . 3 1 1 A 52 52 LYS H H 52 7.943 8.703 -0.760 1
1 578 . 3 1 1 A 52 52 LYS HA H 52 4.195 4.354 -0.159 1
1 583 . 3 1 1 A 52 52 LYS CA C 52 57.852 56.434 1.418 1
1 584 . 3 1 1 A 52 52 LYS CB C 52 33.585 33.229 0.356 1
1 11 . 4 1 1 A 2 2 ALA H H 2 8.426 8.600 -0.174 1
1 12 . 4 1 1 A 2 2 ALA HA H 2 4.303 4.685 -0.382 1
1 16 . 4 1 1 A 2 2 ALA C C 2 178.047 176.443 1.604 1
1 17 . 4 1 1 A 2 2 ALA CA C 2 52.957 50.894 2.063 1
1 18 . 4 1 1 A 2 2 ALA CB C 2 19.097 19.651 -0.554 1
1 19 . 4 1 1 A 2 2 ALA N N 2 125.346 127.210 -1.864 1
1 20 . 4 1 1 A 3 3 ALA H H 3 8.424 7.813 0.611 1
1 21 . 4 1 1 A 3 3 ALA HA H 3 4.272 4.671 -0.399 1
1 25 . 4 1 1 A 3 3 ALA C C 3 178.831 177.687 1.144 1
1 26 . 4 1 1 A 3 3 ALA CA C 3 53.277 50.479 2.798 1
1 27 . 4 1 1 A 3 3 ALA CB C 3 18.815 18.885 -0.070 1
1 28 . 4 1 1 A 3 3 ALA N N 3 123.135 122.812 0.323 1
1 29 . 4 1 1 A 4 4 ILE H H 4 8.153 8.057 0.096 1
1 30 . 4 1 1 A 4 4 ILE HA H 4 4.057 3.818 0.239 1
1 37 . 4 1 1 A 4 4 ILE C C 4 174.367 177.068 -2.701 1
1 38 . 4 1 1 A 4 4 ILE CA C 4 59.667 65.272 -5.605 1
1 39 . 4 1 1 A 4 4 ILE CB C 4 35.772 38.185 -2.413 1
1 43 . 4 1 1 A 4 4 ILE N N 4 120.052 123.651 -3.599 1
1 44 . 4 1 1 A 5 5 GLU H H 5 8.389 7.877 0.512 1
1 45 . 4 1 1 A 5 5 GLU HA H 5 4.242 4.307 -0.065 1
1 50 . 4 1 1 A 5 5 GLU C C 5 177.454 176.413 1.041 1
1 51 . 4 1 1 A 5 5 GLU CA C 5 57.595 57.319 0.276 1
1 52 . 4 1 1 A 5 5 GLU CB C 5 29.925 30.292 -0.367 1
1 54 . 4 1 1 A 5 5 GLU N N 5 123.850 120.946 2.904 1
1 55 . 4 1 1 A 6 6 LYS H H 6 8.359 8.782 -0.423 1
1 56 . 4 1 1 A 6 6 LYS HA H 6 4.232 4.625 -0.393 1
1 65 . 4 1 1 A 6 6 LYS C C 6 178.454 176.289 2.165 1
1 66 . 4 1 1 A 6 6 LYS CA C 6 57.701 55.276 2.425 1
1 67 . 4 1 1 A 6 6 LYS CB C 6 32.786 32.859 -0.073 1
1 71 . 4 1 1 A 6 6 LYS N N 6 122.313 124.031 -1.718 1
1 72 . 4 1 1 A 7 7 ARG H H 7 8.286 8.564 -0.278 1
1 73 . 4 1 1 A 7 7 ARG HA H 7 4.302 4.289 0.013 1
1 78 . 4 1 1 A 7 7 ARG C C 7 177.255 176.331 0.924 1
1 79 . 4 1 1 A 7 7 ARG CA C 7 57.082 56.477 0.605 1
1 80 . 4 1 1 A 7 7 ARG CB C 7 30.301 30.672 -0.371 1
1 83 . 4 1 1 A 7 7 ARG N N 7 121.287 124.775 -3.488 1
1 84 . 4 1 1 A 8 8 GLN H H 8 8.441 8.934 -0.493 1
1 85 . 4 1 1 A 8 8 GLN CA C 8 57.140 57.245 -0.105 1
1 86 . 4 1 1 A 8 8 GLN CB C 8 30.176 30.195 -0.019 1
1 87 . 4 1 1 A 8 8 GLN N N 8 120.311 121.629 -1.318 1
1 88 . 4 1 1 A 9 9 LYS HA H 9 4.232 4.584 -0.352 1
1 97 . 4 1 1 A 9 9 LYS CA C 9 57.820 54.839 2.981 1
1 98 . 4 1 1 A 9 9 LYS CB C 9 32.862 33.638 -0.776 1
1 102 . 4 1 1 A 10 10 GLU H H 10 8.354 8.853 -0.499 1
1 103 . 4 1 1 A 10 10 GLU HA H 10 4.245 3.866 0.379 1
1 109 . 4 1 1 A 10 10 GLU C C 10 178.220 178.424 -0.204 1
1 110 . 4 1 1 A 10 10 GLU CA C 10 57.837 59.307 -1.470 1
1 111 . 4 1 1 A 10 10 GLU CB C 10 29.839 29.383 0.456 1
1 113 . 4 1 1 A 10 10 GLU N N 10 121.036 126.251 -5.215 1
1 114 . 4 1 1 A 11 11 ILE H H 11 8.257 8.049 0.208 1
1 115 . 4 1 1 A 11 11 ILE HA H 11 4.025 3.574 0.451 1
1 122 . 4 1 1 A 11 11 ILE C C 11 177.395 177.835 -0.440 1
1 123 . 4 1 1 A 11 11 ILE CA C 11 62.538 65.894 -3.356 1
1 124 . 4 1 1 A 11 11 ILE CB C 11 38.434 37.725 0.709 1
1 128 . 4 1 1 A 11 11 ILE N N 11 121.653 121.155 0.498 1
1 129 . 4 1 1 A 12 12 ALA H H 12 8.371 8.355 0.016 1
1 130 . 4 1 1 A 12 12 ALA HA H 12 4.260 3.935 0.325 1
1 134 . 4 1 1 A 12 12 ALA C C 12 178.875 179.531 -0.656 1
1 135 . 4 1 1 A 12 12 ALA CA C 12 53.762 55.834 -2.072 1
1 136 . 4 1 1 A 12 12 ALA CB C 12 18.717 18.205 0.512 1
1 137 . 4 1 1 A 12 12 ALA N N 12 126.518 121.649 4.869 1
1 138 . 4 1 1 A 13 13 ASP H H 13 8.608 8.076 0.532 1
1 139 . 4 1 1 A 13 13 ASP HA H 13 4.546 4.358 0.188 1
1 142 . 4 1 1 A 13 13 ASP C C 13 177.863 179.672 -1.809 1
1 143 . 4 1 1 A 13 13 ASP CA C 13 55.465 57.142 -1.677 1
1 144 . 4 1 1 A 13 13 ASP CB C 13 40.730 40.508 0.222 1
1 145 . 4 1 1 A 13 13 ASP N N 13 119.841 119.021 0.820 1
1 146 . 4 1 1 A 14 14 GLY H H 14 8.293 8.644 -0.351 1
1 147 . 4 1 1 A 14 14 GLY HA2 H 14 3.998 3.679 0.319 1
1 148 . 4 1 1 A 14 14 GLY HA3 H 14 3.998 3.683 0.315 1
1 149 . 4 1 1 A 14 14 GLY C C 14 172.618 175.524 -2.906 1
1 150 . 4 1 1 A 14 14 GLY CA C 14 43.412 47.314 -3.902 1
1 151 . 4 1 1 A 14 14 GLY N N 14 109.075 108.596 0.479 1
1 152 . 4 1 1 A 15 15 LEU H H 15 8.119 8.380 -0.261 1
1 153 . 4 1 1 A 15 15 LEU HA H 15 4.290 4.062 0.228 1
1 163 . 4 1 1 A 15 15 LEU C C 15 178.215 178.488 -0.273 1
1 164 . 4 1 1 A 15 15 LEU CA C 15 56.113 57.643 -1.530 1
1 165 . 4 1 1 A 15 15 LEU CB C 15 42.109 41.543 0.566 1
1 169 . 4 1 1 A 15 15 LEU N N 15 122.115 123.203 -1.088 1
1 170 . 4 1 1 A 16 16 ALA H H 16 8.293 8.524 -0.231 1
1 171 . 4 1 1 A 16 16 ALA HA H 16 4.315 3.981 0.334 1
1 175 . 4 1 1 A 16 16 ALA C C 16 178.847 179.687 -0.840 1
1 176 . 4 1 1 A 16 16 ALA CA C 16 53.230 55.150 -1.920 1
1 177 . 4 1 1 A 16 16 ALA CB C 16 18.769 17.821 0.948 1
1 178 . 4 1 1 A 16 16 ALA N N 16 123.673 120.930 2.743 1
1 179 . 4 1 1 A 17 17 SER H H 17 8.294 8.023 0.271 1
1 180 . 4 1 1 A 17 17 SER HA H 17 4.405 4.074 0.331 1
1 183 . 4 1 1 A 17 17 SER C C 17 175.446 176.743 -1.297 1
1 184 . 4 1 1 A 17 17 SER CA C 17 59.398 61.419 -2.021 1
1 185 . 4 1 1 A 17 17 SER CB C 17 63.460 63.147 0.313 1
1 186 . 4 1 1 A 17 17 SER N N 17 114.615 113.331 1.284 1
1 187 . 4 1 1 A 18 18 ALA H H 18 8.308 7.822 0.486 1
1 188 . 4 1 1 A 18 18 ALA HA H 18 4.325 4.269 0.056 1
1 192 . 4 1 1 A 18 18 ALA C C 18 178.476 179.261 -0.785 1
1 193 . 4 1 1 A 18 18 ALA CA C 18 53.528 54.903 -1.375 1
1 194 . 4 1 1 A 18 18 ALA CB C 18 18.753 18.574 0.179 1
1 195 . 4 1 1 A 18 18 ALA N N 18 125.710 122.382 3.328 1
1 196 . 4 1 1 A 19 19 GLU H H 19 8.290 8.454 -0.164 1
1 197 . 4 1 1 A 19 19 GLU HA H 19 4.237 3.975 0.262 1
1 202 . 4 1 1 A 19 19 GLU C C 19 177.358 178.813 -1.455 1
1 203 . 4 1 1 A 19 19 GLU CA C 19 57.447 59.692 -2.245 1
1 204 . 4 1 1 A 19 19 GLU CB C 19 29.866 29.034 0.832 1
1 206 . 4 1 1 A 19 19 GLU N N 19 119.387 118.324 1.063 1
1 207 . 4 1 1 A 20 20 ARG H H 20 8.214 8.048 0.166 1
1 208 . 4 1 1 A 20 20 ARG HA H 20 4.244 4.019 0.225 1
1 215 . 4 1 1 A 20 20 ARG C C 20 176.546 178.281 -1.735 1
1 216 . 4 1 1 A 20 20 ARG CA C 20 56.895 59.485 -2.590 1
1 217 . 4 1 1 A 20 20 ARG CB C 20 30.596 29.988 0.608 1
1 220 . 4 1 1 A 20 20 ARG N N 20 121.283 119.737 1.546 1
1 221 . 4 1 1 A 21 21 ALA H H 21 8.247 7.551 0.696 1
1 222 . 4 1 1 A 21 21 ALA HA H 21 4.279 4.147 0.132 1
1 226 . 4 1 1 A 21 21 ALA C C 21 178.212 180.310 -2.098 1
1 227 . 4 1 1 A 21 21 ALA CA C 21 53.059 55.139 -2.080 1
1 228 . 4 1 1 A 21 21 ALA CB C 21 18.827 18.845 -0.018 1
1 229 . 4 1 1 A 21 21 ALA N N 21 123.697 121.305 2.392 1
1 230 . 4 1 1 A 22 22 HIS H H 22 8.352 8.700 -0.348 1
1 231 . 4 1 1 A 22 22 HIS HA H 22 4.212 4.318 -0.106 1
1 234 . 4 1 1 A 22 22 HIS C C 22 177.321 177.627 -0.306 1
1 235 . 4 1 1 A 22 22 HIS CA C 22 56.652 59.626 -2.974 1
1 236 . 4 1 1 A 22 22 HIS CB C 22 29.845 29.934 -0.089 1
1 237 . 4 1 1 A 22 22 HIS N N 22 118.280 116.297 1.983 1
1 238 . 4 1 1 A 23 23 LYS H H 23 8.336 8.343 -0.007 1
1 239 . 4 1 1 A 23 23 LYS HA H 23 4.294 3.881 0.413 1
1 248 . 4 1 1 A 23 23 LYS C C 23 176.700 178.351 -1.651 1
1 249 . 4 1 1 A 23 23 LYS CA C 23 57.000 59.867 -2.867 1
1 250 . 4 1 1 A 23 23 LYS CB C 23 32.797 32.261 0.536 1
1 254 . 4 1 1 A 23 23 LYS N N 23 122.370 119.557 2.813 1
1 255 . 4 1 1 A 24 24 ASP H H 24 8.537 8.469 0.068 1
1 256 . 4 1 1 A 24 24 ASP HA H 24 4.581 4.310 0.271 1
1 259 . 4 1 1 A 24 24 ASP C C 24 176.941 178.600 -1.659 1
1 260 . 4 1 1 A 24 24 ASP CA C 24 55.069 57.662 -2.593 1
1 261 . 4 1 1 A 24 24 ASP CB C 24 40.789 41.502 -0.713 1
1 262 . 4 1 1 A 24 24 ASP N N 24 121.152 119.669 1.483 1
1 263 . 4 1 1 A 25 25 LEU H H 25 8.215 8.375 -0.160 1
1 264 . 4 1 1 A 25 25 LEU HA H 25 4.290 4.084 0.206 1
1 273 . 4 1 1 A 25 25 LEU CA C 25 56.176 57.949 -1.773 1
1 274 . 4 1 1 A 25 25 LEU CB C 25 42.175 41.518 0.657 1
1 278 . 4 1 1 A 25 25 LEU N N 25 122.648 121.186 1.462 1
1 279 . 4 1 1 A 26 26 ASP H H 26 8.363 8.568 -0.205 1
1 280 . 4 1 1 A 26 26 ASP HA H 26 4.577 4.266 0.311 1
1 283 . 4 1 1 A 26 26 ASP C C 26 177.284 178.377 -1.093 1
1 284 . 4 1 1 A 26 26 ASP CA C 26 54.971 57.712 -2.741 1
1 285 . 4 1 1 A 26 26 ASP CB C 26 40.708 41.712 -1.004 1
1 286 . 4 1 1 A 26 26 ASP N N 26 121.040 118.993 2.047 1
1 287 . 4 1 1 A 27 27 LEU H H 27 8.228 8.572 -0.344 1
1 288 . 4 1 1 A 27 27 LEU HA H 27 4.309 4.052 0.257 1
1 297 . 4 1 1 A 27 27 LEU C C 27 178.228 178.596 -0.368 1
1 298 . 4 1 1 A 27 27 LEU CA C 27 56.235 58.079 -1.844 1
1 299 . 4 1 1 A 27 27 LEU CB C 27 42.080 41.655 0.425 1
1 303 . 4 1 1 A 27 27 LEU N N 27 122.902 120.484 2.418 1
1 304 . 4 1 1 A 28 28 ALA H H 28 8.226 8.460 -0.234 1
1 305 . 4 1 1 A 28 28 ALA HA H 28 4.313 4.045 0.268 1
1 309 . 4 1 1 A 28 28 ALA C C 28 178.768 179.224 -0.456 1
1 310 . 4 1 1 A 28 28 ALA CA C 28 50.751 55.742 -4.991 1
1 311 . 4 1 1 A 28 28 ALA CB C 28 15.973 18.193 -2.220 1
1 312 . 4 1 1 A 28 28 ALA N N 28 123.394 121.657 1.737 1
1 313 . 4 1 1 A 29 29 LYS H H 29 8.105 8.249 -0.144 1
1 314 . 4 1 1 A 29 29 LYS HA H 29 4.273 3.939 0.334 1
1 321 . 4 1 1 A 29 29 LYS C C 29 177.235 178.443 -1.208 1
1 322 . 4 1 1 A 29 29 LYS CA C 29 56.975 59.691 -2.716 1
1 323 . 4 1 1 A 29 29 LYS CB C 29 32.809 32.569 0.240 1
1 327 . 4 1 1 A 29 29 LYS N N 29 119.798 117.959 1.839 1
1 328 . 4 1 1 A 30 30 ALA H H 30 8.256 8.218 0.038 1
1 329 . 4 1 1 A 30 30 ALA HA H 30 4.333 4.129 0.204 1
1 333 . 4 1 1 A 30 30 ALA C C 30 178.374 179.693 -1.319 1
1 334 . 4 1 1 A 30 30 ALA CA C 30 53.121 55.141 -2.020 1
1 335 . 4 1 1 A 30 30 ALA CB C 30 18.978 18.213 0.765 1
1 336 . 4 1 1 A 30 30 ALA N N 30 124.377 121.004 3.373 1
1 337 . 4 1 1 A 31 31 SER H H 31 8.404 8.304 0.100 1
1 338 . 4 1 1 A 31 31 SER HA H 31 4.484 3.996 0.488 1
1 341 . 4 1 1 A 31 31 SER C C 31 175.050 176.559 -1.509 1
1 342 . 4 1 1 A 31 31 SER CA C 31 58.756 61.888 -3.132 1
1 343 . 4 1 1 A 31 31 SER CB C 31 63.797 62.855 0.942 1
1 344 . 4 1 1 A 31 31 SER N N 31 114.933 113.638 1.295 1
1 345 . 4 1 1 A 32 32 ALA H H 32 8.419 7.963 0.456 1
1 346 . 4 1 1 A 32 32 ALA HA H 32 4.414 4.143 0.271 1
1 350 . 4 1 1 A 32 32 ALA C C 32 178.933 179.701 -0.768 1
1 351 . 4 1 1 A 32 32 ALA CA C 32 53.555 55.145 -1.590 1
1 352 . 4 1 1 A 32 32 ALA CB C 32 18.785 18.539 0.246 1
1 353 . 4 1 1 A 32 32 ALA N N 32 125.821 123.615 2.206 1
1 354 . 4 1 1 A 33 33 THR H H 33 8.216 8.355 -0.139 1
1 355 . 4 1 1 A 33 33 THR HA H 33 4.364 3.834 0.530 1
1 358 . 4 1 1 A 33 33 THR C C 33 175.345 175.714 -0.369 1
1 359 . 4 1 1 A 33 33 THR CA C 33 63.424 67.317 -3.893 1
1 360 . 4 1 1 A 33 33 THR CB C 33 69.432 68.569 0.863 1
1 361 . 4 1 1 A 33 33 THR N N 33 112.980 113.503 -0.523 1
1 362 . 4 1 1 A 34 34 ASP H H 34 8.332 8.353 -0.021 1
1 363 . 4 1 1 A 34 34 ASP HA H 34 4.560 4.285 0.275 1
1 366 . 4 1 1 A 34 34 ASP C C 34 177.331 178.098 -0.767 1
1 367 . 4 1 1 A 34 34 ASP CA C 34 55.611 57.821 -2.210 1
1 368 . 4 1 1 A 34 34 ASP CB C 34 40.819 42.368 -1.549 1
1 369 . 4 1 1 A 34 34 ASP N N 34 122.777 121.170 1.607 1
1 370 . 4 1 1 A 35 35 GLN H H 35 8.376 7.939 0.437 1
1 371 . 4 1 1 A 35 35 GLN HA H 35 4.225 4.046 0.179 1
1 376 . 4 1 1 A 35 35 GLN C C 35 177.216 177.847 -0.631 1
1 377 . 4 1 1 A 35 35 GLN CA C 35 57.159 58.714 -1.555 1
1 378 . 4 1 1 A 35 35 GLN CB C 35 28.840 28.954 -0.114 1
1 380 . 4 1 1 A 35 35 GLN N N 35 120.161 119.175 0.986 1
1 381 . 4 1 1 A 36 36 LEU H H 36 8.152 8.357 -0.205 1
1 382 . 4 1 1 A 36 36 LEU HA H 36 4.325 4.085 0.240 1
1 391 . 4 1 1 A 36 36 LEU C C 36 178.245 178.501 -0.256 1
1 392 . 4 1 1 A 36 36 LEU CA C 36 56.382 57.795 -1.413 1
1 393 . 4 1 1 A 36 36 LEU CB C 36 41.952 41.518 0.434 1
1 397 . 4 1 1 A 36 36 LEU N N 36 121.719 121.083 0.636 1
1 398 . 4 1 1 A 37 37 LYS H H 37 8.140 8.466 -0.326 1
1 399 . 4 1 1 A 37 37 LYS HA H 37 4.245 3.927 0.318 1
1 408 . 4 1 1 A 37 37 LYS C C 37 177.582 178.603 -1.021 1
1 409 . 4 1 1 A 37 37 LYS CA C 37 57.518 59.934 -2.416 1
1 410 . 4 1 1 A 37 37 LYS CB C 37 32.662 32.647 0.015 1
1 414 . 4 1 1 A 37 37 LYS N N 37 121.035 119.011 2.024 1
1 415 . 4 1 1 A 38 38 LYS H H 38 8.200 8.083 0.117 1
1 416 . 4 1 1 A 38 38 LYS HA H 38 4.259 4.010 0.249 1
1 425 . 4 1 1 A 38 38 LYS C C 38 177.094 178.502 -1.408 1
1 426 . 4 1 1 A 38 38 LYS CA C 38 57.200 59.140 -1.940 1
1 427 . 4 1 1 A 38 38 LYS CB C 38 32.881 32.144 0.737 1
1 431 . 4 1 1 A 38 38 LYS N N 38 121.951 118.806 3.145 1
1 432 . 4 1 1 A 39 39 ALA H H 39 8.310 8.394 -0.084 1
1 433 . 4 1 1 A 39 39 ALA HA H 39 4.297 4.149 0.148 1
1 437 . 4 1 1 A 39 39 ALA C C 39 178.705 179.106 -0.401 1
1 438 . 4 1 1 A 39 39 ALA CA C 39 53.083 55.281 -2.198 1
1 439 . 4 1 1 A 39 39 ALA CB C 39 18.859 18.200 0.659 1
1 440 . 4 1 1 A 39 39 ALA N N 39 124.850 121.947 2.903 1
1 441 . 4 1 1 A 40 40 LYS H H 40 8.322 7.993 0.329 1
1 442 . 4 1 1 A 40 40 LYS HA H 40 4.257 3.952 0.305 1
1 451 . 4 1 1 A 40 40 LYS C C 40 176.957 178.449 -1.492 1
1 452 . 4 1 1 A 40 40 LYS CA C 40 57.048 59.542 -2.494 1
1 453 . 4 1 1 A 40 40 LYS CB C 40 32.890 32.408 0.482 1
1 457 . 4 1 1 A 40 40 LYS N N 40 120.538 118.594 1.944 1
1 458 . 4 1 1 A 41 41 ALA H H 41 8.292 8.357 -0.065 1
1 459 . 4 1 1 A 41 41 ALA HA H 41 4.328 4.022 0.306 1
1 463 . 4 1 1 A 41 41 ALA C C 41 178.535 179.886 -1.351 1
1 464 . 4 1 1 A 41 41 ALA CA C 41 53.106 54.814 -1.708 1
1 465 . 4 1 1 A 41 41 ALA CB C 41 18.889 18.393 0.496 1
1 466 . 4 1 1 A 41 41 ALA N N 41 124.385 120.714 3.671 1
1 467 . 4 1 1 A 42 42 GLU H H 42 8.441 8.199 0.242 1
1 468 . 4 1 1 A 42 42 GLU HA H 42 4.275 4.024 0.251 1
1 473 . 4 1 1 A 42 42 GLU C C 42 176.846 178.475 -1.629 1
1 474 . 4 1 1 A 42 42 GLU CA C 42 57.031 59.214 -2.183 1
1 475 . 4 1 1 A 42 42 GLU CB C 42 30.151 29.507 0.644 1
1 477 . 4 1 1 A 42 42 GLU N N 42 120.022 118.764 1.258 1
1 478 . 4 1 1 A 43 43 ALA H H 43 8.276 8.514 -0.238 1
1 479 . 4 1 1 A 43 43 ALA HA H 43 4.306 4.039 0.267 1
1 483 . 4 1 1 A 43 43 ALA C C 43 178.055 180.280 -2.225 1
1 484 . 4 1 1 A 43 43 ALA CA C 43 52.974 55.010 -2.036 1
1 485 . 4 1 1 A 43 43 ALA CB C 43 18.903 18.424 0.479 1
1 486 . 4 1 1 A 43 43 ALA N N 43 124.119 122.188 1.931 1
1 487 . 4 1 1 A 44 44 GLN H H 44 8.312 7.841 0.471 1
1 488 . 4 1 1 A 44 44 GLN HA H 44 4.310 4.053 0.257 1
1 493 . 4 1 1 A 44 44 GLN C C 44 176.174 175.291 0.883 1
1 494 . 4 1 1 A 44 44 GLN CA C 44 56.154 57.847 -1.693 1
1 495 . 4 1 1 A 44 44 GLN CB C 44 29.285 29.044 0.241 1
1 497 . 4 1 1 A 44 44 GLN N N 44 119.573 117.390 2.183 1
1 498 . 4 1 1 A 45 45 VAL H H 45 8.206 7.325 0.881 1
1 499 . 4 1 1 A 45 45 VAL HA H 45 4.360 4.998 -0.638 1
1 504 . 4 1 1 A 45 45 VAL C C 45 176.263 174.376 1.887 1
1 505 . 4 1 1 A 45 45 VAL CA C 45 63.120 59.072 4.048 1
1 506 . 4 1 1 A 45 45 VAL CB C 45 32.386 35.457 -3.071 1
1 509 . 4 1 1 A 45 45 VAL N N 45 122.385 115.157 7.228 1
1 510 . 4 1 1 A 46 46 ILE H H 46 8.045 8.653 -0.608 1
1 511 . 4 1 1 A 46 46 ILE HA H 46 4.138 4.894 -0.756 1
1 518 . 4 1 1 A 46 46 ILE C C 46 176.573 175.320 1.253 1
1 519 . 4 1 1 A 46 46 ILE CA C 46 61.413 58.950 2.463 1
1 520 . 4 1 1 A 46 46 ILE CB C 46 38.356 41.838 -3.482 1
1 524 . 4 1 1 A 46 46 ILE N N 46 125.491 115.716 9.775 1
1 525 . 4 1 1 A 47 47 ILE H H 47 8.332 8.575 -0.243 1
1 526 . 4 1 1 A 47 47 ILE HA H 47 4.177 4.231 -0.054 1
1 533 . 4 1 1 A 47 47 ILE C C 47 176.554 176.209 0.345 1
1 534 . 4 1 1 A 47 47 ILE CA C 47 61.374 62.801 -1.427 1
1 535 . 4 1 1 A 47 47 ILE CB C 47 38.377 38.861 -0.484 1
1 539 . 4 1 1 A 47 47 ILE N N 47 126.147 121.084 5.063 1
1 540 . 4 1 1 A 48 48 GLU H H 48 8.587 7.759 0.828 1
1 541 . 4 1 1 A 48 48 GLU HA H 48 4.141 4.625 -0.484 1
1 544 . 4 1 1 A 48 48 GLU C C 48 176.290 173.968 2.322 1
1 545 . 4 1 1 A 48 48 GLU CA C 48 56.867 56.561 0.306 1
1 546 . 4 1 1 A 48 48 GLU CB C 48 30.160 31.992 -1.832 1
1 548 . 4 1 1 A 48 48 GLU N N 48 125.278 118.283 6.995 1
1 549 . 4 1 1 A 49 49 GLN H H 49 8.521 9.054 -0.533 1
1 550 . 4 1 1 A 49 49 GLN HA H 49 4.313 5.311 -0.998 1
1 555 . 4 1 1 A 49 49 GLN C C 49 175.798 174.790 1.008 1
1 556 . 4 1 1 A 49 49 GLN CA C 49 55.936 54.311 1.625 1
1 557 . 4 1 1 A 49 49 GLN CB C 49 29.328 31.766 -2.438 1
1 559 . 4 1 1 A 49 49 GLN N N 49 125.675 126.607 -0.932 1
1 560 . 4 1 1 A 50 50 ALA H H 50 8.414 8.664 -0.250 1
1 561 . 4 1 1 A 50 50 ALA HA H 50 4.356 4.810 -0.454 1
1 565 . 4 1 1 A 50 50 ALA C C 50 177.553 175.011 2.542 1
1 566 . 4 1 1 A 50 50 ALA CA C 50 52.833 51.140 1.693 1
1 567 . 4 1 1 A 50 50 ALA CB C 50 19.162 23.398 -4.236 1
1 568 . 4 1 1 A 50 50 ALA N N 50 124.988 127.341 -2.353 1
1 569 . 4 1 1 A 51 51 ASN H H 51 8.467 8.725 -0.258 1
1 570 . 4 1 1 A 51 51 ASN HA H 51 4.738 5.348 -0.610 1
1 573 . 4 1 1 A 51 51 ASN C C 51 174.232 175.348 -1.116 1
1 574 . 4 1 1 A 51 51 ASN CA C 51 53.358 51.925 1.433 1
1 575 . 4 1 1 A 51 51 ASN CB C 51 38.847 41.474 -2.627 1
1 576 . 4 1 1 A 51 51 ASN N N 51 118.053 117.991 0.062 1
1 577 . 4 1 1 A 52 52 LYS H H 52 7.943 8.574 -0.631 1
1 578 . 4 1 1 A 52 52 LYS HA H 52 4.195 4.615 -0.420 1
1 583 . 4 1 1 A 52 52 LYS CA C 52 57.852 55.158 2.694 1
1 584 . 4 1 1 A 52 52 LYS CB C 52 33.585 34.172 -0.587 1
1 11 . 5 1 1 A 2 2 ALA H H 2 8.426 7.685 0.741 1
1 12 . 5 1 1 A 2 2 ALA HA H 2 4.303 4.437 -0.134 1
1 16 . 5 1 1 A 2 2 ALA C C 2 178.047 177.204 0.843 1
1 17 . 5 1 1 A 2 2 ALA CA C 2 52.957 53.451 -0.494 1
1 18 . 5 1 1 A 2 2 ALA CB C 2 19.097 20.285 -1.188 1
1 19 . 5 1 1 A 2 2 ALA N N 2 125.346 119.826 5.520 1
1 20 . 5 1 1 A 3 3 ALA H H 3 8.424 7.807 0.617 1
1 21 . 5 1 1 A 3 3 ALA HA H 3 4.272 4.553 -0.281 1
1 25 . 5 1 1 A 3 3 ALA C C 3 178.831 177.305 1.526 1
1 26 . 5 1 1 A 3 3 ALA CA C 3 53.277 51.361 1.916 1
1 27 . 5 1 1 A 3 3 ALA CB C 3 18.815 19.025 -0.210 1
1 28 . 5 1 1 A 3 3 ALA N N 3 123.135 118.439 4.696 1
1 29 . 5 1 1 A 4 4 ILE H H 4 8.153 7.898 0.255 1
1 30 . 5 1 1 A 4 4 ILE HA H 4 4.057 3.919 0.138 1
1 37 . 5 1 1 A 4 4 ILE C C 4 174.367 175.799 -1.432 1
1 38 . 5 1 1 A 4 4 ILE CA C 4 59.667 63.596 -3.929 1
1 39 . 5 1 1 A 4 4 ILE CB C 4 35.772 38.025 -2.253 1
1 43 . 5 1 1 A 4 4 ILE N N 4 120.052 117.494 2.558 1
1 44 . 5 1 1 A 5 5 GLU H H 5 8.389 7.721 0.668 1
1 45 . 5 1 1 A 5 5 GLU HA H 5 4.242 4.729 -0.487 1
1 50 . 5 1 1 A 5 5 GLU C C 5 177.454 176.392 1.062 1
1 51 . 5 1 1 A 5 5 GLU CA C 5 57.595 54.688 2.907 1
1 52 . 5 1 1 A 5 5 GLU CB C 5 29.925 34.255 -4.330 1
1 54 . 5 1 1 A 5 5 GLU N N 5 123.850 120.365 3.485 1
1 55 . 5 1 1 A 6 6 LYS H H 6 8.359 8.710 -0.351 1
1 56 . 5 1 1 A 6 6 LYS HA H 6 4.232 4.013 0.219 1
1 65 . 5 1 1 A 6 6 LYS C C 6 178.454 176.677 1.777 1
1 66 . 5 1 1 A 6 6 LYS CA C 6 57.701 58.926 -1.225 1
1 67 . 5 1 1 A 6 6 LYS CB C 6 32.786 32.136 0.650 1
1 71 . 5 1 1 A 6 6 LYS N N 6 122.313 122.532 -0.219 1
1 72 . 5 1 1 A 7 7 ARG H H 7 8.286 7.475 0.811 1
1 73 . 5 1 1 A 7 7 ARG HA H 7 4.302 4.522 -0.220 1
1 78 . 5 1 1 A 7 7 ARG C C 7 177.255 175.962 1.293 1
1 79 . 5 1 1 A 7 7 ARG CA C 7 57.082 54.656 2.426 1
1 80 . 5 1 1 A 7 7 ARG CB C 7 30.301 28.966 1.335 1
1 83 . 5 1 1 A 7 7 ARG N N 7 121.287 119.251 2.036 1
1 84 . 5 1 1 A 8 8 GLN H H 8 8.441 8.464 -0.023 1
1 85 . 5 1 1 A 8 8 GLN CA C 8 57.140 57.897 -0.757 1
1 86 . 5 1 1 A 8 8 GLN CB C 8 30.176 29.572 0.604 1
1 87 . 5 1 1 A 8 8 GLN N N 8 120.311 126.329 -6.018 1
1 88 . 5 1 1 A 9 9 LYS HA H 9 4.232 4.550 -0.318 1
1 97 . 5 1 1 A 9 9 LYS CA C 9 57.820 54.834 2.986 1
1 98 . 5 1 1 A 9 9 LYS CB C 9 32.862 30.296 2.566 1
1 102 . 5 1 1 A 10 10 GLU H H 10 8.354 8.329 0.025 1
1 103 . 5 1 1 A 10 10 GLU HA H 10 4.245 4.243 0.002 1
1 109 . 5 1 1 A 10 10 GLU C C 10 178.220 178.797 -0.577 1
1 110 . 5 1 1 A 10 10 GLU CA C 10 57.837 58.413 -0.576 1
1 111 . 5 1 1 A 10 10 GLU CB C 10 29.839 30.059 -0.220 1
1 113 . 5 1 1 A 10 10 GLU N N 10 121.036 125.410 -4.374 1
1 114 . 5 1 1 A 11 11 ILE H H 11 8.257 8.120 0.137 1
1 115 . 5 1 1 A 11 11 ILE HA H 11 4.025 3.625 0.400 1
1 122 . 5 1 1 A 11 11 ILE C C 11 177.395 177.879 -0.484 1
1 123 . 5 1 1 A 11 11 ILE CA C 11 62.538 65.848 -3.310 1
1 124 . 5 1 1 A 11 11 ILE CB C 11 38.434 37.719 0.715 1
1 128 . 5 1 1 A 11 11 ILE N N 11 121.653 120.299 1.354 1
1 129 . 5 1 1 A 12 12 ALA H H 12 8.371 8.365 0.006 1
1 130 . 5 1 1 A 12 12 ALA HA H 12 4.260 3.947 0.313 1
1 134 . 5 1 1 A 12 12 ALA C C 12 178.875 179.507 -0.632 1
1 135 . 5 1 1 A 12 12 ALA CA C 12 53.762 55.890 -2.128 1
1 136 . 5 1 1 A 12 12 ALA CB C 12 18.717 18.200 0.517 1
1 137 . 5 1 1 A 12 12 ALA N N 12 126.518 121.816 4.702 1
1 138 . 5 1 1 A 13 13 ASP H H 13 8.608 8.312 0.296 1
1 139 . 5 1 1 A 13 13 ASP HA H 13 4.546 4.341 0.205 1
1 142 . 5 1 1 A 13 13 ASP C C 13 177.863 179.711 -1.848 1
1 143 . 5 1 1 A 13 13 ASP CA C 13 55.465 57.153 -1.688 1
1 144 . 5 1 1 A 13 13 ASP CB C 13 40.730 40.607 0.123 1
1 145 . 5 1 1 A 13 13 ASP N N 13 119.841 118.939 0.902 1
1 146 . 5 1 1 A 14 14 GLY H H 14 8.293 8.538 -0.245 1
1 147 . 5 1 1 A 14 14 GLY HA2 H 14 3.998 3.669 0.329 1
1 148 . 5 1 1 A 14 14 GLY HA3 H 14 3.998 3.672 0.326 1
1 149 . 5 1 1 A 14 14 GLY C C 14 172.618 175.503 -2.885 1
1 150 . 5 1 1 A 14 14 GLY CA C 14 43.412 47.252 -3.840 1
1 151 . 5 1 1 A 14 14 GLY N N 14 109.075 108.157 0.918 1
1 152 . 5 1 1 A 15 15 LEU H H 15 8.119 8.337 -0.218 1
1 153 . 5 1 1 A 15 15 LEU HA H 15 4.290 4.059 0.231 1
1 163 . 5 1 1 A 15 15 LEU C C 15 178.215 178.496 -0.281 1
1 164 . 5 1 1 A 15 15 LEU CA C 15 56.113 57.630 -1.517 1
1 165 . 5 1 1 A 15 15 LEU CB C 15 42.109 41.532 0.577 1
1 169 . 5 1 1 A 15 15 LEU N N 15 122.115 123.198 -1.083 1
1 170 . 5 1 1 A 16 16 ALA H H 16 8.293 8.487 -0.194 1
1 171 . 5 1 1 A 16 16 ALA HA H 16 4.315 3.975 0.340 1
1 175 . 5 1 1 A 16 16 ALA C C 16 178.847 179.807 -0.960 1
1 176 . 5 1 1 A 16 16 ALA CA C 16 53.230 55.276 -2.046 1
1 177 . 5 1 1 A 16 16 ALA CB C 16 18.769 18.028 0.741 1
1 178 . 5 1 1 A 16 16 ALA N N 16 123.673 121.039 2.634 1
1 179 . 5 1 1 A 17 17 SER H H 17 8.294 8.281 0.013 1
1 180 . 5 1 1 A 17 17 SER HA H 17 4.405 4.198 0.207 1
1 183 . 5 1 1 A 17 17 SER C C 17 175.446 176.951 -1.505 1
1 184 . 5 1 1 A 17 17 SER CA C 17 59.398 61.418 -2.020 1
1 185 . 5 1 1 A 17 17 SER CB C 17 63.460 62.223 1.237 1
1 186 . 5 1 1 A 17 17 SER N N 17 114.615 113.029 1.586 1
1 187 . 5 1 1 A 18 18 ALA H H 18 8.308 7.870 0.438 1
1 188 . 5 1 1 A 18 18 ALA HA H 18 4.325 4.157 0.168 1
1 192 . 5 1 1 A 18 18 ALA C C 18 178.476 179.441 -0.965 1
1 193 . 5 1 1 A 18 18 ALA CA C 18 53.528 54.852 -1.324 1
1 194 . 5 1 1 A 18 18 ALA CB C 18 18.753 18.381 0.372 1
1 195 . 5 1 1 A 18 18 ALA N N 18 125.710 123.561 2.149 1
1 196 . 5 1 1 A 19 19 GLU H H 19 8.290 8.203 0.087 1
1 197 . 5 1 1 A 19 19 GLU HA H 19 4.237 4.037 0.200 1
1 202 . 5 1 1 A 19 19 GLU C C 19 177.358 178.857 -1.499 1
1 203 . 5 1 1 A 19 19 GLU CA C 19 57.447 59.495 -2.048 1
1 204 . 5 1 1 A 19 19 GLU CB C 19 29.866 29.177 0.689 1
1 206 . 5 1 1 A 19 19 GLU N N 19 119.387 119.011 0.376 1
1 207 . 5 1 1 A 20 20 ARG H H 20 8.214 8.328 -0.114 1
1 208 . 5 1 1 A 20 20 ARG HA H 20 4.244 4.063 0.181 1
1 215 . 5 1 1 A 20 20 ARG C C 20 176.546 178.274 -1.728 1
1 216 . 5 1 1 A 20 20 ARG CA C 20 56.895 59.285 -2.390 1
1 217 . 5 1 1 A 20 20 ARG CB C 20 30.596 30.081 0.515 1
1 220 . 5 1 1 A 20 20 ARG N N 20 121.283 119.890 1.393 1
1 221 . 5 1 1 A 21 21 ALA H H 21 8.247 7.396 0.851 1
1 222 . 5 1 1 A 21 21 ALA HA H 21 4.279 4.130 0.149 1
1 226 . 5 1 1 A 21 21 ALA C C 21 178.212 180.085 -1.873 1
1 227 . 5 1 1 A 21 21 ALA CA C 21 53.059 55.165 -2.106 1
1 228 . 5 1 1 A 21 21 ALA CB C 21 18.827 18.603 0.224 1
1 229 . 5 1 1 A 21 21 ALA N N 21 123.697 121.820 1.877 1
1 230 . 5 1 1 A 22 22 HIS H H 22 8.352 8.537 -0.185 1
1 231 . 5 1 1 A 22 22 HIS HA H 22 4.212 4.232 -0.020 1
1 234 . 5 1 1 A 22 22 HIS C C 22 177.321 177.319 0.002 1
1 235 . 5 1 1 A 22 22 HIS CA C 22 56.652 60.032 -3.380 1
1 236 . 5 1 1 A 22 22 HIS CB C 22 29.845 30.073 -0.228 1
1 237 . 5 1 1 A 22 22 HIS N N 22 118.280 116.368 1.912 1
1 238 . 5 1 1 A 23 23 LYS H H 23 8.336 8.395 -0.059 1
1 239 . 5 1 1 A 23 23 LYS HA H 23 4.294 3.834 0.460 1
1 248 . 5 1 1 A 23 23 LYS C C 23 176.700 178.287 -1.587 1
1 249 . 5 1 1 A 23 23 LYS CA C 23 57.000 60.043 -3.043 1
1 250 . 5 1 1 A 23 23 LYS CB C 23 32.797 32.374 0.423 1
1 254 . 5 1 1 A 23 23 LYS N N 23 122.370 119.447 2.923 1
1 255 . 5 1 1 A 24 24 ASP H H 24 8.537 8.367 0.170 1
1 256 . 5 1 1 A 24 24 ASP HA H 24 4.581 4.292 0.289 1
1 259 . 5 1 1 A 24 24 ASP C C 24 176.941 178.554 -1.613 1
1 260 . 5 1 1 A 24 24 ASP CA C 24 55.069 57.455 -2.386 1
1 261 . 5 1 1 A 24 24 ASP CB C 24 40.789 41.789 -1.000 1
1 262 . 5 1 1 A 24 24 ASP N N 24 121.152 119.916 1.236 1
1 263 . 5 1 1 A 25 25 LEU H H 25 8.215 8.310 -0.095 1
1 264 . 5 1 1 A 25 25 LEU HA H 25 4.290 3.983 0.307 1
1 273 . 5 1 1 A 25 25 LEU CA C 25 56.176 58.118 -1.942 1
1 274 . 5 1 1 A 25 25 LEU CB C 25 42.175 41.555 0.620 1
1 278 . 5 1 1 A 25 25 LEU N N 25 122.648 120.274 2.374 1
1 279 . 5 1 1 A 26 26 ASP H H 26 8.363 8.403 -0.040 1
1 280 . 5 1 1 A 26 26 ASP HA H 26 4.577 4.236 0.341 1
1 283 . 5 1 1 A 26 26 ASP C C 26 177.284 178.648 -1.364 1
1 284 . 5 1 1 A 26 26 ASP CA C 26 54.971 57.672 -2.701 1
1 285 . 5 1 1 A 26 26 ASP CB C 26 40.708 41.603 -0.895 1
1 286 . 5 1 1 A 26 26 ASP N N 26 121.040 119.049 1.991 1
1 287 . 5 1 1 A 27 27 LEU H H 27 8.228 8.344 -0.116 1
1 288 . 5 1 1 A 27 27 LEU HA H 27 4.309 3.900 0.409 1
1 297 . 5 1 1 A 27 27 LEU C C 27 178.228 178.964 -0.736 1
1 298 . 5 1 1 A 27 27 LEU CA C 27 56.235 57.922 -1.687 1
1 299 . 5 1 1 A 27 27 LEU CB C 27 42.080 41.509 0.571 1
1 303 . 5 1 1 A 27 27 LEU N N 27 122.902 119.791 3.111 1
1 304 . 5 1 1 A 28 28 ALA H H 28 8.226 8.656 -0.430 1
1 305 . 5 1 1 A 28 28 ALA HA H 28 4.313 4.126 0.187 1
1 309 . 5 1 1 A 28 28 ALA C C 28 178.768 180.094 -1.326 1
1 310 . 5 1 1 A 28 28 ALA CA C 28 50.751 55.495 -4.744 1
1 311 . 5 1 1 A 28 28 ALA CB C 28 15.973 18.347 -2.374 1
1 312 . 5 1 1 A 28 28 ALA N N 28 123.394 121.193 2.201 1
1 313 . 5 1 1 A 29 29 LYS H H 29 8.105 8.406 -0.301 1
1 314 . 5 1 1 A 29 29 LYS HA H 29 4.273 3.927 0.346 1
1 321 . 5 1 1 A 29 29 LYS C C 29 177.235 178.841 -1.606 1
1 322 . 5 1 1 A 29 29 LYS CA C 29 56.975 59.578 -2.603 1
1 323 . 5 1 1 A 29 29 LYS CB C 29 32.809 32.485 0.324 1
1 327 . 5 1 1 A 29 29 LYS N N 29 119.798 117.724 2.074 1
1 328 . 5 1 1 A 30 30 ALA H H 30 8.256 8.412 -0.156 1
1 329 . 5 1 1 A 30 30 ALA HA H 30 4.333 4.118 0.215 1
1 333 . 5 1 1 A 30 30 ALA C C 30 178.374 179.855 -1.481 1
1 334 . 5 1 1 A 30 30 ALA CA C 30 53.121 55.319 -2.198 1
1 335 . 5 1 1 A 30 30 ALA CB C 30 18.978 18.617 0.361 1
1 336 . 5 1 1 A 30 30 ALA N N 30 124.377 122.467 1.910 1
1 337 . 5 1 1 A 31 31 SER H H 31 8.404 8.417 -0.013 1
1 338 . 5 1 1 A 31 31 SER HA H 31 4.484 4.059 0.425 1
1 341 . 5 1 1 A 31 31 SER C C 31 175.050 177.174 -2.124 1
1 342 . 5 1 1 A 31 31 SER CA C 31 58.756 61.400 -2.644 1
1 343 . 5 1 1 A 31 31 SER CB C 31 63.797 62.970 0.827 1
1 344 . 5 1 1 A 31 31 SER N N 31 114.933 112.783 2.150 1
1 345 . 5 1 1 A 32 32 ALA H H 32 8.419 7.988 0.431 1
1 346 . 5 1 1 A 32 32 ALA HA H 32 4.414 4.111 0.303 1
1 350 . 5 1 1 A 32 32 ALA C C 32 178.933 180.003 -1.070 1
1 351 . 5 1 1 A 32 32 ALA CA C 32 53.555 55.202 -1.647 1
1 352 . 5 1 1 A 32 32 ALA CB C 32 18.785 18.635 0.150 1
1 353 . 5 1 1 A 32 32 ALA N N 32 125.821 123.082 2.739 1
1 354 . 5 1 1 A 33 33 THR H H 33 8.216 8.345 -0.129 1
1 355 . 5 1 1 A 33 33 THR HA H 33 4.364 4.040 0.324 1
1 358 . 5 1 1 A 33 33 THR C C 33 175.345 176.128 -0.783 1
1 359 . 5 1 1 A 33 33 THR CA C 33 63.424 65.457 -2.033 1
1 360 . 5 1 1 A 33 33 THR CB C 33 69.432 68.135 1.297 1
1 361 . 5 1 1 A 33 33 THR N N 33 112.980 111.396 1.584 1
1 362 . 5 1 1 A 34 34 ASP H H 34 8.332 8.499 -0.167 1
1 363 . 5 1 1 A 34 34 ASP HA H 34 4.560 4.241 0.319 1
1 366 . 5 1 1 A 34 34 ASP C C 34 177.331 178.081 -0.750 1
1 367 . 5 1 1 A 34 34 ASP CA C 34 55.611 57.829 -2.218 1
1 368 . 5 1 1 A 34 34 ASP CB C 34 40.819 42.034 -1.215 1
1 369 . 5 1 1 A 34 34 ASP N N 34 122.777 122.232 0.545 1
1 370 . 5 1 1 A 35 35 GLN H H 35 8.376 8.056 0.320 1
1 371 . 5 1 1 A 35 35 GLN HA H 35 4.225 3.977 0.248 1
1 376 . 5 1 1 A 35 35 GLN C C 35 177.216 178.504 -1.288 1
1 377 . 5 1 1 A 35 35 GLN CA C 35 57.159 58.654 -1.495 1
1 378 . 5 1 1 A 35 35 GLN CB C 35 28.840 28.072 0.768 1
1 380 . 5 1 1 A 35 35 GLN N N 35 120.161 118.951 1.210 1
1 381 . 5 1 1 A 36 36 LEU H H 36 8.152 8.274 -0.122 1
1 382 . 5 1 1 A 36 36 LEU HA H 36 4.325 3.929 0.396 1
1 391 . 5 1 1 A 36 36 LEU C C 36 178.245 179.029 -0.784 1
1 392 . 5 1 1 A 36 36 LEU CA C 36 56.382 57.652 -1.270 1
1 393 . 5 1 1 A 36 36 LEU CB C 36 41.952 41.702 0.250 1
1 397 . 5 1 1 A 36 36 LEU N N 36 121.719 120.116 1.603 1
1 398 . 5 1 1 A 37 37 LYS H H 37 8.140 8.163 -0.023 1
1 399 . 5 1 1 A 37 37 LYS HA H 37 4.245 3.813 0.432 1
1 408 . 5 1 1 A 37 37 LYS C C 37 177.582 179.877 -2.295 1
1 409 . 5 1 1 A 37 37 LYS CA C 37 57.518 60.432 -2.914 1
1 410 . 5 1 1 A 37 37 LYS CB C 37 32.662 32.280 0.382 1
1 414 . 5 1 1 A 37 37 LYS N N 37 121.035 116.904 4.131 1
1 415 . 5 1 1 A 38 38 LYS H H 38 8.200 8.249 -0.049 1
1 416 . 5 1 1 A 38 38 LYS HA H 38 4.259 4.020 0.239 1
1 425 . 5 1 1 A 38 38 LYS C C 38 177.094 179.014 -1.920 1
1 426 . 5 1 1 A 38 38 LYS CA C 38 57.200 59.613 -2.413 1
1 427 . 5 1 1 A 38 38 LYS CB C 38 32.881 32.281 0.600 1
1 431 . 5 1 1 A 38 38 LYS N N 38 121.951 119.194 2.757 1
1 432 . 5 1 1 A 39 39 ALA H H 39 8.310 8.277 0.033 1
1 433 . 5 1 1 A 39 39 ALA HA H 39 4.297 4.154 0.143 1
1 437 . 5 1 1 A 39 39 ALA C C 39 178.705 179.907 -1.202 1
1 438 . 5 1 1 A 39 39 ALA CA C 39 53.083 55.422 -2.339 1
1 439 . 5 1 1 A 39 39 ALA CB C 39 18.859 18.389 0.470 1
1 440 . 5 1 1 A 39 39 ALA N N 39 124.850 121.911 2.939 1
1 441 . 5 1 1 A 40 40 LYS H H 40 8.322 8.240 0.082 1
1 442 . 5 1 1 A 40 40 LYS HA H 40 4.257 3.965 0.292 1
1 451 . 5 1 1 A 40 40 LYS C C 40 176.957 179.030 -2.073 1
1 452 . 5 1 1 A 40 40 LYS CA C 40 57.048 59.357 -2.309 1
1 453 . 5 1 1 A 40 40 LYS CB C 40 32.890 32.337 0.553 1
1 457 . 5 1 1 A 40 40 LYS N N 40 120.538 117.199 3.339 1
1 458 . 5 1 1 A 41 41 ALA H H 41 8.292 8.433 -0.141 1
1 459 . 5 1 1 A 41 41 ALA HA H 41 4.328 4.051 0.277 1
1 463 . 5 1 1 A 41 41 ALA C C 41 178.535 179.555 -1.020 1
1 464 . 5 1 1 A 41 41 ALA CA C 41 53.106 54.933 -1.827 1
1 465 . 5 1 1 A 41 41 ALA CB C 41 18.889 18.449 0.440 1
1 466 . 5 1 1 A 41 41 ALA N N 41 124.385 121.889 2.496 1
1 467 . 5 1 1 A 42 42 GLU H H 42 8.441 8.268 0.173 1
1 468 . 5 1 1 A 42 42 GLU HA H 42 4.275 4.072 0.203 1
1 473 . 5 1 1 A 42 42 GLU C C 42 176.846 178.292 -1.446 1
1 474 . 5 1 1 A 42 42 GLU CA C 42 57.031 59.260 -2.229 1
1 475 . 5 1 1 A 42 42 GLU CB C 42 30.151 29.280 0.871 1
1 477 . 5 1 1 A 42 42 GLU N N 42 120.022 118.385 1.637 1
1 478 . 5 1 1 A 43 43 ALA H H 43 8.276 8.120 0.156 1
1 479 . 5 1 1 A 43 43 ALA HA H 43 4.306 4.019 0.287 1
1 483 . 5 1 1 A 43 43 ALA C C 43 178.055 177.717 0.338 1
1 484 . 5 1 1 A 43 43 ALA CA C 43 52.974 54.658 -1.684 1
1 485 . 5 1 1 A 43 43 ALA CB C 43 18.903 18.794 0.109 1
1 486 . 5 1 1 A 43 43 ALA N N 43 124.119 121.537 2.582 1
1 487 . 5 1 1 A 44 44 GLN H H 44 8.312 7.294 1.018 1
1 488 . 5 1 1 A 44 44 GLN HA H 44 4.310 4.652 -0.342 1
1 493 . 5 1 1 A 44 44 GLN C C 44 176.174 175.771 0.403 1
1 494 . 5 1 1 A 44 44 GLN CA C 44 56.154 57.318 -1.164 1
1 495 . 5 1 1 A 44 44 GLN CB C 44 29.285 30.637 -1.352 1
1 497 . 5 1 1 A 44 44 GLN N N 44 119.573 115.338 4.235 1
1 498 . 5 1 1 A 45 45 VAL H H 45 8.206 7.782 0.424 1
1 499 . 5 1 1 A 45 45 VAL HA H 45 4.360 4.379 -0.019 1
1 504 . 5 1 1 A 45 45 VAL C C 45 176.263 175.544 0.719 1
1 505 . 5 1 1 A 45 45 VAL CA C 45 63.120 62.870 0.250 1
1 506 . 5 1 1 A 45 45 VAL CB C 45 32.386 34.694 -2.308 1
1 509 . 5 1 1 A 45 45 VAL N N 45 122.385 116.874 5.511 1
1 510 . 5 1 1 A 46 46 ILE H H 46 8.045 7.658 0.387 1
1 511 . 5 1 1 A 46 46 ILE HA H 46 4.138 4.024 0.114 1
1 518 . 5 1 1 A 46 46 ILE C C 46 176.573 174.521 2.052 1
1 519 . 5 1 1 A 46 46 ILE CA C 46 61.413 62.172 -0.759 1
1 520 . 5 1 1 A 46 46 ILE CB C 46 38.356 38.643 -0.287 1
1 524 . 5 1 1 A 46 46 ILE N N 46 125.491 122.673 2.818 1
1 525 . 5 1 1 A 47 47 ILE H H 47 8.332 8.984 -0.652 1
1 526 . 5 1 1 A 47 47 ILE HA H 47 4.177 5.164 -0.987 1
1 533 . 5 1 1 A 47 47 ILE C C 47 176.554 173.933 2.621 1
1 534 . 5 1 1 A 47 47 ILE CA C 47 61.374 58.618 2.756 1
1 535 . 5 1 1 A 47 47 ILE CB C 47 38.377 42.263 -3.886 1
1 539 . 5 1 1 A 47 47 ILE N N 47 126.147 123.388 2.759 1
1 540 . 5 1 1 A 48 48 GLU H H 48 8.587 8.805 -0.218 1
1 541 . 5 1 1 A 48 48 GLU HA H 48 4.141 5.030 -0.889 1
1 544 . 5 1 1 A 48 48 GLU C C 48 176.290 175.376 0.914 1
1 545 . 5 1 1 A 48 48 GLU CA C 48 56.867 54.992 1.875 1
1 546 . 5 1 1 A 48 48 GLU CB C 48 30.160 31.355 -1.195 1
1 548 . 5 1 1 A 48 48 GLU N N 48 125.278 121.570 3.708 1
1 549 . 5 1 1 A 49 49 GLN H H 49 8.521 8.502 0.019 1
1 550 . 5 1 1 A 49 49 GLN HA H 49 4.313 4.648 -0.335 1
1 555 . 5 1 1 A 49 49 GLN C C 49 175.798 173.940 1.858 1
1 556 . 5 1 1 A 49 49 GLN CA C 49 55.936 55.340 0.596 1
1 557 . 5 1 1 A 49 49 GLN CB C 49 29.328 28.794 0.534 1
1 559 . 5 1 1 A 49 49 GLN N N 49 125.675 127.138 -1.463 1
1 560 . 5 1 1 A 50 50 ALA H H 50 8.414 7.695 0.719 1
1 561 . 5 1 1 A 50 50 ALA HA H 50 4.356 4.857 -0.501 1
1 565 . 5 1 1 A 50 50 ALA C C 50 177.553 175.326 2.227 1
1 566 . 5 1 1 A 50 50 ALA CA C 50 52.833 51.930 0.903 1
1 567 . 5 1 1 A 50 50 ALA CB C 50 19.162 21.596 -2.434 1
1 568 . 5 1 1 A 50 50 ALA N N 50 124.988 122.622 2.366 1
1 569 . 5 1 1 A 51 51 ASN H H 51 8.467 8.821 -0.354 1
1 570 . 5 1 1 A 51 51 ASN HA H 51 4.738 5.242 -0.504 1
1 573 . 5 1 1 A 51 51 ASN C C 51 174.232 173.240 0.992 1
1 574 . 5 1 1 A 51 51 ASN CA C 51 53.358 53.226 0.132 1
1 575 . 5 1 1 A 51 51 ASN CB C 51 38.847 40.770 -1.923 1
1 576 . 5 1 1 A 51 51 ASN N N 51 118.053 119.375 -1.322 1
1 577 . 5 1 1 A 52 52 LYS H H 52 7.943 8.916 -0.973 1
1 578 . 5 1 1 A 52 52 LYS HA H 52 4.195 5.239 -1.044 1
1 583 . 5 1 1 A 52 52 LYS CA C 52 57.852 54.836 3.016 1
1 584 . 5 1 1 A 52 52 LYS CB C 52 33.585 36.587 -3.002 1
1 11 . 6 1 1 A 2 2 ALA H H 2 8.426 8.680 -0.254 1
1 12 . 6 1 1 A 2 2 ALA HA H 2 4.303 4.921 -0.618 1
1 16 . 6 1 1 A 2 2 ALA C C 2 178.047 175.510 2.537 1
1 17 . 6 1 1 A 2 2 ALA CA C 2 52.957 51.601 1.356 1
1 18 . 6 1 1 A 2 2 ALA CB C 2 19.097 23.419 -4.322 1
1 19 . 6 1 1 A 2 2 ALA N N 2 125.346 125.663 -0.317 1
1 20 . 6 1 1 A 3 3 ALA H H 3 8.424 8.329 0.095 1
1 21 . 6 1 1 A 3 3 ALA HA H 3 4.272 4.799 -0.527 1
1 25 . 6 1 1 A 3 3 ALA C C 3 178.831 177.180 1.651 1
1 26 . 6 1 1 A 3 3 ALA CA C 3 53.277 52.001 1.276 1
1 27 . 6 1 1 A 3 3 ALA CB C 3 18.815 19.003 -0.188 1
1 28 . 6 1 1 A 3 3 ALA N N 3 123.135 120.065 3.070 1
1 29 . 6 1 1 A 4 4 ILE H H 4 8.153 8.810 -0.657 1
1 30 . 6 1 1 A 4 4 ILE HA H 4 4.057 4.276 -0.219 1
1 37 . 6 1 1 A 4 4 ILE C C 4 174.367 175.985 -1.618 1
1 38 . 6 1 1 A 4 4 ILE CA C 4 59.667 62.333 -2.666 1
1 39 . 6 1 1 A 4 4 ILE CB C 4 35.772 39.508 -3.736 1
1 43 . 6 1 1 A 4 4 ILE N N 4 120.052 122.114 -2.062 1
1 44 . 6 1 1 A 5 5 GLU H H 5 8.389 7.678 0.711 1
1 45 . 6 1 1 A 5 5 GLU HA H 5 4.242 4.673 -0.431 1
1 50 . 6 1 1 A 5 5 GLU C C 5 177.454 173.926 3.528 1
1 51 . 6 1 1 A 5 5 GLU CA C 5 57.595 56.191 1.404 1
1 52 . 6 1 1 A 5 5 GLU CB C 5 29.925 33.372 -3.447 1
1 54 . 6 1 1 A 5 5 GLU N N 5 123.850 118.025 5.825 1
1 55 . 6 1 1 A 6 6 LYS H H 6 8.359 8.663 -0.304 1
1 56 . 6 1 1 A 6 6 LYS HA H 6 4.232 4.895 -0.663 1
1 65 . 6 1 1 A 6 6 LYS C C 6 178.454 174.685 3.769 1
1 66 . 6 1 1 A 6 6 LYS CA C 6 57.701 55.563 2.138 1
1 67 . 6 1 1 A 6 6 LYS CB C 6 32.786 34.528 -1.742 1
1 71 . 6 1 1 A 6 6 LYS N N 6 122.313 126.116 -3.803 1
1 72 . 6 1 1 A 7 7 ARG H H 7 8.286 8.981 -0.695 1
1 73 . 6 1 1 A 7 7 ARG HA H 7 4.302 5.005 -0.703 1
1 78 . 6 1 1 A 7 7 ARG C C 7 177.255 175.108 2.147 1
1 79 . 6 1 1 A 7 7 ARG CA C 7 57.082 54.534 2.548 1
1 80 . 6 1 1 A 7 7 ARG CB C 7 30.301 31.967 -1.666 1
1 83 . 6 1 1 A 7 7 ARG N N 7 121.287 124.624 -3.337 1
1 84 . 6 1 1 A 8 8 GLN H H 8 8.441 8.554 -0.113 1
1 85 . 6 1 1 A 8 8 GLN CA C 8 57.140 54.648 2.492 1
1 86 . 6 1 1 A 8 8 GLN CB C 8 30.176 33.105 -2.929 1
1 87 . 6 1 1 A 8 8 GLN N N 8 120.311 122.065 -1.754 1
1 88 . 6 1 1 A 9 9 LYS HA H 9 4.232 4.749 -0.517 1
1 97 . 6 1 1 A 9 9 LYS CA C 9 57.820 54.634 3.186 1
1 98 . 6 1 1 A 9 9 LYS CB C 9 32.862 35.072 -2.210 1
1 102 . 6 1 1 A 10 10 GLU H H 10 8.354 8.967 -0.613 1
1 103 . 6 1 1 A 10 10 GLU HA H 10 4.245 4.109 0.136 1
1 109 . 6 1 1 A 10 10 GLU C C 10 178.220 179.054 -0.834 1
1 110 . 6 1 1 A 10 10 GLU CA C 10 57.837 58.779 -0.942 1
1 111 . 6 1 1 A 10 10 GLU CB C 10 29.839 29.483 0.356 1
1 113 . 6 1 1 A 10 10 GLU N N 10 121.036 122.433 -1.397 1
1 114 . 6 1 1 A 11 11 ILE H H 11 8.257 8.033 0.224 1
1 115 . 6 1 1 A 11 11 ILE HA H 11 4.025 3.532 0.493 1
1 122 . 6 1 1 A 11 11 ILE C C 11 177.395 177.884 -0.489 1
1 123 . 6 1 1 A 11 11 ILE CA C 11 62.538 65.888 -3.350 1
1 124 . 6 1 1 A 11 11 ILE CB C 11 38.434 37.793 0.641 1
1 128 . 6 1 1 A 11 11 ILE N N 11 121.653 120.885 0.768 1
1 129 . 6 1 1 A 12 12 ALA H H 12 8.371 8.274 0.097 1
1 130 . 6 1 1 A 12 12 ALA HA H 12 4.260 3.950 0.310 1
1 134 . 6 1 1 A 12 12 ALA C C 12 178.875 178.579 0.296 1
1 135 . 6 1 1 A 12 12 ALA CA C 12 53.762 55.705 -1.943 1
1 136 . 6 1 1 A 12 12 ALA CB C 12 18.717 18.168 0.549 1
1 137 . 6 1 1 A 12 12 ALA N N 12 126.518 121.920 4.598 1
1 138 . 6 1 1 A 13 13 ASP H H 13 8.608 8.262 0.346 1
1 139 . 6 1 1 A 13 13 ASP HA H 13 4.546 4.336 0.210 1
1 142 . 6 1 1 A 13 13 ASP C C 13 177.863 179.055 -1.192 1
1 143 . 6 1 1 A 13 13 ASP CA C 13 55.465 57.144 -1.679 1
1 144 . 6 1 1 A 13 13 ASP CB C 13 40.730 41.196 -0.466 1
1 145 . 6 1 1 A 13 13 ASP N N 13 119.841 118.723 1.118 1
1 146 . 6 1 1 A 14 14 GLY H H 14 8.293 8.467 -0.174 1
1 147 . 6 1 1 A 14 14 GLY HA2 H 14 3.998 3.677 0.321 1
1 148 . 6 1 1 A 14 14 GLY HA3 H 14 3.998 3.680 0.318 1
1 149 . 6 1 1 A 14 14 GLY C C 14 172.618 175.943 -3.325 1
1 150 . 6 1 1 A 14 14 GLY CA C 14 43.412 47.312 -3.900 1
1 151 . 6 1 1 A 14 14 GLY N N 14 109.075 107.439 1.636 1
1 152 . 6 1 1 A 15 15 LEU H H 15 8.119 8.269 -0.150 1
1 153 . 6 1 1 A 15 15 LEU HA H 15 4.290 4.004 0.286 1
1 163 . 6 1 1 A 15 15 LEU C C 15 178.215 178.673 -0.458 1
1 164 . 6 1 1 A 15 15 LEU CA C 15 56.113 57.694 -1.581 1
1 165 . 6 1 1 A 15 15 LEU CB C 15 42.109 41.995 0.114 1
1 169 . 6 1 1 A 15 15 LEU N N 15 122.115 123.548 -1.433 1
1 170 . 6 1 1 A 16 16 ALA H H 16 8.293 8.444 -0.151 1
1 171 . 6 1 1 A 16 16 ALA HA H 16 4.315 4.012 0.303 1
1 175 . 6 1 1 A 16 16 ALA C C 16 178.847 179.886 -1.039 1
1 176 . 6 1 1 A 16 16 ALA CA C 16 53.230 55.200 -1.970 1
1 177 . 6 1 1 A 16 16 ALA CB C 16 18.769 17.846 0.923 1
1 178 . 6 1 1 A 16 16 ALA N N 16 123.673 120.902 2.771 1
1 179 . 6 1 1 A 17 17 SER H H 17 8.294 8.004 0.290 1
1 180 . 6 1 1 A 17 17 SER HA H 17 4.405 4.081 0.324 1
1 183 . 6 1 1 A 17 17 SER C C 17 175.446 176.758 -1.312 1
1 184 . 6 1 1 A 17 17 SER CA C 17 59.398 61.465 -2.067 1
1 185 . 6 1 1 A 17 17 SER CB C 17 63.460 63.102 0.358 1
1 186 . 6 1 1 A 17 17 SER N N 17 114.615 113.487 1.128 1
1 187 . 6 1 1 A 18 18 ALA H H 18 8.308 7.863 0.445 1
1 188 . 6 1 1 A 18 18 ALA HA H 18 4.325 4.260 0.065 1
1 192 . 6 1 1 A 18 18 ALA C C 18 178.476 179.238 -0.762 1
1 193 . 6 1 1 A 18 18 ALA CA C 18 53.528 54.922 -1.394 1
1 194 . 6 1 1 A 18 18 ALA CB C 18 18.753 18.520 0.233 1
1 195 . 6 1 1 A 18 18 ALA N N 18 125.710 122.388 3.322 1
1 196 . 6 1 1 A 19 19 GLU H H 19 8.290 8.492 -0.202 1
1 197 . 6 1 1 A 19 19 GLU HA H 19 4.237 3.973 0.264 1
1 202 . 6 1 1 A 19 19 GLU C C 19 177.358 178.555 -1.197 1
1 203 . 6 1 1 A 19 19 GLU CA C 19 57.447 59.710 -2.263 1
1 204 . 6 1 1 A 19 19 GLU CB C 19 29.866 29.020 0.846 1
1 206 . 6 1 1 A 19 19 GLU N N 19 119.387 118.196 1.191 1
1 207 . 6 1 1 A 20 20 ARG H H 20 8.214 8.046 0.168 1
1 208 . 6 1 1 A 20 20 ARG HA H 20 4.244 3.984 0.260 1
1 215 . 6 1 1 A 20 20 ARG C C 20 176.546 178.392 -1.846 1
1 216 . 6 1 1 A 20 20 ARG CA C 20 56.895 59.676 -2.781 1
1 217 . 6 1 1 A 20 20 ARG CB C 20 30.596 30.070 0.526 1
1 220 . 6 1 1 A 20 20 ARG N N 20 121.283 119.541 1.742 1
1 221 . 6 1 1 A 21 21 ALA H H 21 8.247 7.531 0.716 1
1 222 . 6 1 1 A 21 21 ALA HA H 21 4.279 4.173 0.106 1
1 226 . 6 1 1 A 21 21 ALA C C 21 178.212 180.184 -1.972 1
1 227 . 6 1 1 A 21 21 ALA CA C 21 53.059 55.061 -2.002 1
1 228 . 6 1 1 A 21 21 ALA CB C 21 18.827 18.857 -0.030 1
1 229 . 6 1 1 A 21 21 ALA N N 21 123.697 120.915 2.782 1
1 230 . 6 1 1 A 22 22 HIS H H 22 8.352 8.428 -0.076 1
1 231 . 6 1 1 A 22 22 HIS HA H 22 4.212 4.315 -0.103 1
1 234 . 6 1 1 A 22 22 HIS C C 22 177.321 177.854 -0.533 1
1 235 . 6 1 1 A 22 22 HIS CA C 22 56.652 59.762 -3.110 1
1 236 . 6 1 1 A 22 22 HIS CB C 22 29.845 29.931 -0.086 1
1 237 . 6 1 1 A 22 22 HIS N N 22 118.280 116.203 2.077 1
1 238 . 6 1 1 A 23 23 LYS H H 23 8.336 8.555 -0.219 1
1 239 . 6 1 1 A 23 23 LYS HA H 23 4.294 3.809 0.485 1
1 248 . 6 1 1 A 23 23 LYS C C 23 176.700 178.591 -1.891 1
1 249 . 6 1 1 A 23 23 LYS CA C 23 57.000 59.934 -2.934 1
1 250 . 6 1 1 A 23 23 LYS CB C 23 32.797 32.410 0.387 1
1 254 . 6 1 1 A 23 23 LYS N N 23 122.370 118.784 3.586 1
1 255 . 6 1 1 A 24 24 ASP H H 24 8.537 8.408 0.129 1
1 256 . 6 1 1 A 24 24 ASP HA H 24 4.581 4.298 0.283 1
1 259 . 6 1 1 A 24 24 ASP C C 24 176.941 178.503 -1.562 1
1 260 . 6 1 1 A 24 24 ASP CA C 24 55.069 57.252 -2.183 1
1 261 . 6 1 1 A 24 24 ASP CB C 24 40.789 41.946 -1.157 1
1 262 . 6 1 1 A 24 24 ASP N N 24 121.152 119.309 1.843 1
1 263 . 6 1 1 A 25 25 LEU H H 25 8.215 8.635 -0.420 1
1 264 . 6 1 1 A 25 25 LEU HA H 25 4.290 3.921 0.369 1
1 273 . 6 1 1 A 25 25 LEU CA C 25 56.176 58.367 -2.191 1
1 274 . 6 1 1 A 25 25 LEU CB C 25 42.175 41.700 0.475 1
1 278 . 6 1 1 A 25 25 LEU N N 25 122.648 120.295 2.353 1
1 279 . 6 1 1 A 26 26 ASP H H 26 8.363 8.354 0.009 1
1 280 . 6 1 1 A 26 26 ASP HA H 26 4.577 4.390 0.187 1
1 283 . 6 1 1 A 26 26 ASP C C 26 177.284 179.003 -1.719 1
1 284 . 6 1 1 A 26 26 ASP CA C 26 54.971 57.489 -2.518 1
1 285 . 6 1 1 A 26 26 ASP CB C 26 40.708 40.918 -0.210 1
1 286 . 6 1 1 A 26 26 ASP N N 26 121.040 118.750 2.290 1
1 287 . 6 1 1 A 27 27 LEU H H 27 8.228 8.250 -0.022 1
1 288 . 6 1 1 A 27 27 LEU HA H 27 4.309 4.072 0.237 1
1 297 . 6 1 1 A 27 27 LEU C C 27 178.228 178.446 -0.218 1
1 298 . 6 1 1 A 27 27 LEU CA C 27 56.235 57.933 -1.698 1
1 299 . 6 1 1 A 27 27 LEU CB C 27 42.080 42.118 -0.038 1
1 303 . 6 1 1 A 27 27 LEU N N 27 122.902 121.550 1.352 1
1 304 . 6 1 1 A 28 28 ALA H H 28 8.226 8.645 -0.419 1
1 305 . 6 1 1 A 28 28 ALA HA H 28 4.313 4.095 0.218 1
1 309 . 6 1 1 A 28 28 ALA C C 28 178.768 179.206 -0.438 1
1 310 . 6 1 1 A 28 28 ALA CA C 28 50.751 55.739 -4.988 1
1 311 . 6 1 1 A 28 28 ALA CB C 28 15.973 18.271 -2.298 1
1 312 . 6 1 1 A 28 28 ALA N N 28 123.394 121.154 2.240 1
1 313 . 6 1 1 A 29 29 LYS H H 29 8.105 8.464 -0.359 1
1 314 . 6 1 1 A 29 29 LYS HA H 29 4.273 3.919 0.354 1
1 321 . 6 1 1 A 29 29 LYS C C 29 177.235 178.302 -1.067 1
1 322 . 6 1 1 A 29 29 LYS CA C 29 56.975 59.699 -2.724 1
1 323 . 6 1 1 A 29 29 LYS CB C 29 32.809 32.427 0.382 1
1 327 . 6 1 1 A 29 29 LYS N N 29 119.798 118.123 1.675 1
1 328 . 6 1 1 A 30 30 ALA H H 30 8.256 8.258 -0.002 1
1 329 . 6 1 1 A 30 30 ALA HA H 30 4.333 4.056 0.277 1
1 333 . 6 1 1 A 30 30 ALA C C 30 178.374 179.945 -1.571 1
1 334 . 6 1 1 A 30 30 ALA CA C 30 53.121 55.317 -2.196 1
1 335 . 6 1 1 A 30 30 ALA CB C 30 18.978 18.649 0.329 1
1 336 . 6 1 1 A 30 30 ALA N N 30 124.377 121.060 3.317 1
1 337 . 6 1 1 A 31 31 SER H H 31 8.404 8.298 0.106 1
1 338 . 6 1 1 A 31 31 SER HA H 31 4.484 4.061 0.423 1
1 341 . 6 1 1 A 31 31 SER C C 31 175.050 177.035 -1.985 1
1 342 . 6 1 1 A 31 31 SER CA C 31 58.756 61.428 -2.672 1
1 343 . 6 1 1 A 31 31 SER CB C 31 63.797 62.988 0.809 1
1 344 . 6 1 1 A 31 31 SER N N 31 114.933 112.894 2.039 1
1 345 . 6 1 1 A 32 32 ALA H H 32 8.419 8.139 0.280 1
1 346 . 6 1 1 A 32 32 ALA HA H 32 4.414 4.116 0.298 1
1 350 . 6 1 1 A 32 32 ALA C C 32 178.933 179.838 -0.905 1
1 351 . 6 1 1 A 32 32 ALA CA C 32 53.555 55.214 -1.659 1
1 352 . 6 1 1 A 32 32 ALA CB C 32 18.785 18.620 0.165 1
1 353 . 6 1 1 A 32 32 ALA N N 32 125.821 123.117 2.704 1
1 354 . 6 1 1 A 33 33 THR H H 33 8.216 8.332 -0.116 1
1 355 . 6 1 1 A 33 33 THR HA H 33 4.364 3.858 0.506 1
1 358 . 6 1 1 A 33 33 THR C C 33 175.345 176.399 -1.054 1
1 359 . 6 1 1 A 33 33 THR CA C 33 63.424 68.249 -4.825 1
1 360 . 6 1 1 A 33 33 THR CB C 33 69.432 68.569 0.863 1
1 361 . 6 1 1 A 33 33 THR N N 33 112.980 114.325 -1.345 1
1 362 . 6 1 1 A 34 34 ASP H H 34 8.332 8.449 -0.117 1
1 363 . 6 1 1 A 34 34 ASP HA H 34 4.560 4.338 0.222 1
1 366 . 6 1 1 A 34 34 ASP C C 34 177.331 178.647 -1.316 1
1 367 . 6 1 1 A 34 34 ASP CA C 34 55.611 57.375 -1.764 1
1 368 . 6 1 1 A 34 34 ASP CB C 34 40.819 39.951 0.868 1
1 369 . 6 1 1 A 34 34 ASP N N 34 122.777 120.164 2.613 1
1 370 . 6 1 1 A 35 35 GLN H H 35 8.376 7.955 0.421 1
1 371 . 6 1 1 A 35 35 GLN HA H 35 4.225 4.027 0.198 1
1 376 . 6 1 1 A 35 35 GLN C C 35 177.216 178.217 -1.001 1
1 377 . 6 1 1 A 35 35 GLN CA C 35 57.159 58.690 -1.531 1
1 378 . 6 1 1 A 35 35 GLN CB C 35 28.840 28.160 0.680 1
1 380 . 6 1 1 A 35 35 GLN N N 35 120.161 119.391 0.770 1
1 381 . 6 1 1 A 36 36 LEU H H 36 8.152 8.273 -0.121 1
1 382 . 6 1 1 A 36 36 LEU HA H 36 4.325 3.984 0.341 1
1 391 . 6 1 1 A 36 36 LEU C C 36 178.245 178.543 -0.298 1
1 392 . 6 1 1 A 36 36 LEU CA C 36 56.382 58.240 -1.858 1
1 393 . 6 1 1 A 36 36 LEU CB C 36 41.952 41.854 0.098 1
1 397 . 6 1 1 A 36 36 LEU N N 36 121.719 121.297 0.422 1
1 398 . 6 1 1 A 37 37 LYS H H 37 8.140 8.488 -0.348 1
1 399 . 6 1 1 A 37 37 LYS HA H 37 4.245 3.887 0.358 1
1 408 . 6 1 1 A 37 37 LYS C C 37 177.582 178.892 -1.310 1
1 409 . 6 1 1 A 37 37 LYS CA C 37 57.518 59.685 -2.167 1
1 410 . 6 1 1 A 37 37 LYS CB C 37 32.662 32.208 0.454 1
1 414 . 6 1 1 A 37 37 LYS N N 37 121.035 118.839 2.196 1
1 415 . 6 1 1 A 38 38 LYS H H 38 8.200 8.017 0.183 1
1 416 . 6 1 1 A 38 38 LYS HA H 38 4.259 4.054 0.205 1
1 425 . 6 1 1 A 38 38 LYS C C 38 177.094 178.621 -1.527 1
1 426 . 6 1 1 A 38 38 LYS CA C 38 57.200 59.443 -2.243 1
1 427 . 6 1 1 A 38 38 LYS CB C 38 32.881 32.349 0.532 1
1 431 . 6 1 1 A 38 38 LYS N N 38 121.951 119.101 2.850 1
1 432 . 6 1 1 A 39 39 ALA H H 39 8.310 8.417 -0.107 1
1 433 . 6 1 1 A 39 39 ALA HA H 39 4.297 4.016 0.281 1
1 437 . 6 1 1 A 39 39 ALA C C 39 178.705 179.188 -0.483 1
1 438 . 6 1 1 A 39 39 ALA CA C 39 53.083 55.077 -1.994 1
1 439 . 6 1 1 A 39 39 ALA CB C 39 18.859 18.348 0.511 1
1 440 . 6 1 1 A 39 39 ALA N N 39 124.850 120.800 4.050 1
1 441 . 6 1 1 A 40 40 LYS H H 40 8.322 8.267 0.055 1
1 442 . 6 1 1 A 40 40 LYS HA H 40 4.257 3.970 0.287 1
1 451 . 6 1 1 A 40 40 LYS C C 40 176.957 178.748 -1.791 1
1 452 . 6 1 1 A 40 40 LYS CA C 40 57.048 59.613 -2.565 1
1 453 . 6 1 1 A 40 40 LYS CB C 40 32.890 32.317 0.573 1
1 457 . 6 1 1 A 40 40 LYS N N 40 120.538 118.522 2.016 1
1 458 . 6 1 1 A 41 41 ALA H H 41 8.292 8.343 -0.051 1
1 459 . 6 1 1 A 41 41 ALA HA H 41 4.328 3.974 0.354 1
1 463 . 6 1 1 A 41 41 ALA C C 41 178.535 180.074 -1.539 1
1 464 . 6 1 1 A 41 41 ALA CA C 41 53.106 54.971 -1.865 1
1 465 . 6 1 1 A 41 41 ALA CB C 41 18.889 18.303 0.586 1
1 466 . 6 1 1 A 41 41 ALA N N 41 124.385 120.873 3.512 1
1 467 . 6 1 1 A 42 42 GLU H H 42 8.441 7.979 0.462 1
1 468 . 6 1 1 A 42 42 GLU HA H 42 4.275 4.033 0.242 1
1 473 . 6 1 1 A 42 42 GLU C C 42 176.846 178.820 -1.974 1
1 474 . 6 1 1 A 42 42 GLU CA C 42 57.031 59.047 -2.016 1
1 475 . 6 1 1 A 42 42 GLU CB C 42 30.151 29.909 0.242 1
1 477 . 6 1 1 A 42 42 GLU N N 42 120.022 118.171 1.851 1
1 478 . 6 1 1 A 43 43 ALA H H 43 8.276 8.364 -0.088 1
1 479 . 6 1 1 A 43 43 ALA HA H 43 4.306 4.050 0.256 1
1 483 . 6 1 1 A 43 43 ALA C C 43 178.055 178.120 -0.065 1
1 484 . 6 1 1 A 43 43 ALA CA C 43 52.974 55.019 -2.045 1
1 485 . 6 1 1 A 43 43 ALA CB C 43 18.903 18.453 0.450 1
1 486 . 6 1 1 A 43 43 ALA N N 43 124.119 122.066 2.053 1
1 487 . 6 1 1 A 44 44 GLN H H 44 8.312 7.977 0.335 1
1 488 . 6 1 1 A 44 44 GLN HA H 44 4.310 4.468 -0.158 1
1 493 . 6 1 1 A 44 44 GLN C C 44 176.174 175.459 0.715 1
1 494 . 6 1 1 A 44 44 GLN CA C 44 56.154 55.492 0.662 1
1 495 . 6 1 1 A 44 44 GLN CB C 44 29.285 29.956 -0.671 1
1 497 . 6 1 1 A 44 44 GLN N N 44 119.573 116.688 2.885 1
1 498 . 6 1 1 A 45 45 VAL H H 45 8.206 8.127 0.079 1
1 499 . 6 1 1 A 45 45 VAL HA H 45 4.360 4.088 0.272 1
1 504 . 6 1 1 A 45 45 VAL C C 45 176.263 175.818 0.445 1
1 505 . 6 1 1 A 45 45 VAL CA C 45 63.120 62.859 0.261 1
1 506 . 6 1 1 A 45 45 VAL CB C 45 32.386 32.730 -0.344 1
1 509 . 6 1 1 A 45 45 VAL N N 45 122.385 121.601 0.784 1
1 510 . 6 1 1 A 46 46 ILE H H 46 8.045 7.984 0.061 1
1 511 . 6 1 1 A 46 46 ILE HA H 46 4.138 4.117 0.021 1
1 518 . 6 1 1 A 46 46 ILE C C 46 176.573 176.306 0.267 1
1 519 . 6 1 1 A 46 46 ILE CA C 46 61.413 61.785 -0.372 1
1 520 . 6 1 1 A 46 46 ILE CB C 46 38.356 39.434 -1.078 1
1 524 . 6 1 1 A 46 46 ILE N N 46 125.491 127.106 -1.615 1
1 525 . 6 1 1 A 47 47 ILE H H 47 8.332 8.333 -0.001 1
1 526 . 6 1 1 A 47 47 ILE HA H 47 4.177 3.927 0.250 1
1 533 . 6 1 1 A 47 47 ILE C C 47 176.554 177.479 -0.925 1
1 534 . 6 1 1 A 47 47 ILE CA C 47 61.374 62.474 -1.100 1
1 535 . 6 1 1 A 47 47 ILE CB C 47 38.377 38.115 0.262 1
1 539 . 6 1 1 A 47 47 ILE N N 47 126.147 128.117 -1.970 1
1 540 . 6 1 1 A 48 48 GLU H H 48 8.587 8.726 -0.139 1
1 541 . 6 1 1 A 48 48 GLU HA H 48 4.141 4.411 -0.270 1
1 544 . 6 1 1 A 48 48 GLU C C 48 176.290 176.985 -0.695 1
1 545 . 6 1 1 A 48 48 GLU CA C 48 56.867 57.093 -0.226 1
1 546 . 6 1 1 A 48 48 GLU CB C 48 30.160 30.794 -0.634 1
1 548 . 6 1 1 A 48 48 GLU N N 48 125.278 123.792 1.486 1
1 549 . 6 1 1 A 49 49 GLN H H 49 8.521 7.599 0.922 1
1 550 . 6 1 1 A 49 49 GLN HA H 49 4.313 4.398 -0.085 1
1 555 . 6 1 1 A 49 49 GLN C C 49 175.798 175.887 -0.089 1
1 556 . 6 1 1 A 49 49 GLN CA C 49 55.936 56.216 -0.280 1
1 557 . 6 1 1 A 49 49 GLN CB C 49 29.328 29.471 -0.143 1
1 559 . 6 1 1 A 49 49 GLN N N 49 125.675 120.767 4.908 1
1 560 . 6 1 1 A 50 50 ALA H H 50 8.414 8.231 0.183 1
1 561 . 6 1 1 A 50 50 ALA HA H 50 4.356 4.344 0.012 1
1 565 . 6 1 1 A 50 50 ALA C C 50 177.553 177.337 0.216 1
1 566 . 6 1 1 A 50 50 ALA CA C 50 52.833 52.763 0.070 1
1 567 . 6 1 1 A 50 50 ALA CB C 50 19.162 19.143 0.019 1
1 568 . 6 1 1 A 50 50 ALA N N 50 124.988 124.310 0.678 1
1 569 . 6 1 1 A 51 51 ASN H H 51 8.467 8.824 -0.357 1
1 570 . 6 1 1 A 51 51 ASN HA H 51 4.738 5.269 -0.531 1
1 573 . 6 1 1 A 51 51 ASN C C 51 174.232 173.397 0.835 1
1 574 . 6 1 1 A 51 51 ASN CA C 51 53.358 52.967 0.391 1
1 575 . 6 1 1 A 51 51 ASN CB C 51 38.847 43.013 -4.166 1
1 576 . 6 1 1 A 51 51 ASN N N 51 118.053 120.634 -2.581 1
1 577 . 6 1 1 A 52 52 LYS H H 52 7.943 8.775 -0.832 1
1 578 . 6 1 1 A 52 52 LYS HA H 52 4.195 4.966 -0.771 1
1 583 . 6 1 1 A 52 52 LYS CA C 52 57.852 54.364 3.488 1
1 584 . 6 1 1 A 52 52 LYS CB C 52 33.585 35.324 -1.739 1
1 11 . 7 1 1 A 2 2 ALA H H 2 8.426 8.784 -0.358 1
1 12 . 7 1 1 A 2 2 ALA HA H 2 4.303 4.940 -0.637 1
1 16 . 7 1 1 A 2 2 ALA C C 2 178.047 177.168 0.879 1
1 17 . 7 1 1 A 2 2 ALA CA C 2 52.957 50.506 2.451 1
1 18 . 7 1 1 A 2 2 ALA CB C 2 19.097 20.377 -1.280 1
1 19 . 7 1 1 A 2 2 ALA N N 2 125.346 122.331 3.015 1
1 20 . 7 1 1 A 3 3 ALA H H 3 8.424 8.611 -0.187 1
1 21 . 7 1 1 A 3 3 ALA HA H 3 4.272 4.283 -0.011 1
1 25 . 7 1 1 A 3 3 ALA C C 3 178.831 177.897 0.934 1
1 26 . 7 1 1 A 3 3 ALA CA C 3 53.277 53.181 0.096 1
1 27 . 7 1 1 A 3 3 ALA CB C 3 18.815 19.117 -0.302 1
1 28 . 7 1 1 A 3 3 ALA N N 3 123.135 125.962 -2.827 1
1 29 . 7 1 1 A 4 4 ILE H H 4 8.153 8.578 -0.425 1
1 30 . 7 1 1 A 4 4 ILE HA H 4 4.057 4.002 0.055 1
1 37 . 7 1 1 A 4 4 ILE C C 4 174.367 176.383 -2.016 1
1 38 . 7 1 1 A 4 4 ILE CA C 4 59.667 63.539 -3.872 1
1 39 . 7 1 1 A 4 4 ILE CB C 4 35.772 38.377 -2.605 1
1 43 . 7 1 1 A 4 4 ILE N N 4 120.052 123.962 -3.910 1
1 44 . 7 1 1 A 5 5 GLU H H 5 8.389 7.699 0.690 1
1 45 . 7 1 1 A 5 5 GLU HA H 5 4.242 4.807 -0.565 1
1 50 . 7 1 1 A 5 5 GLU C C 5 177.454 175.387 2.067 1
1 51 . 7 1 1 A 5 5 GLU CA C 5 57.595 54.689 2.906 1
1 52 . 7 1 1 A 5 5 GLU CB C 5 29.925 32.784 -2.859 1
1 54 . 7 1 1 A 5 5 GLU N N 5 123.850 119.172 4.678 1
1 55 . 7 1 1 A 6 6 LYS H H 6 8.359 8.886 -0.527 1
1 56 . 7 1 1 A 6 6 LYS HA H 6 4.232 5.036 -0.804 1
1 65 . 7 1 1 A 6 6 LYS C C 6 178.454 175.707 2.747 1
1 66 . 7 1 1 A 6 6 LYS CA C 6 57.701 54.946 2.755 1
1 67 . 7 1 1 A 6 6 LYS CB C 6 32.786 36.246 -3.460 1
1 71 . 7 1 1 A 6 6 LYS N N 6 122.313 119.958 2.355 1
1 72 . 7 1 1 A 7 7 ARG H H 7 8.286 8.969 -0.683 1
1 73 . 7 1 1 A 7 7 ARG HA H 7 4.302 4.520 -0.218 1
1 78 . 7 1 1 A 7 7 ARG C C 7 177.255 176.509 0.746 1
1 79 . 7 1 1 A 7 7 ARG CA C 7 57.082 57.138 -0.056 1
1 80 . 7 1 1 A 7 7 ARG CB C 7 30.301 32.036 -1.735 1
1 83 . 7 1 1 A 7 7 ARG N N 7 121.287 120.103 1.184 1
1 84 . 7 1 1 A 8 8 GLN H H 8 8.441 7.615 0.826 1
1 85 . 7 1 1 A 8 8 GLN CA C 8 57.140 57.096 0.044 1
1 86 . 7 1 1 A 8 8 GLN CB C 8 30.176 31.263 -1.087 1
1 87 . 7 1 1 A 8 8 GLN N N 8 120.311 116.875 3.436 1
1 88 . 7 1 1 A 9 9 LYS HA H 9 4.232 4.492 -0.260 1
1 97 . 7 1 1 A 9 9 LYS CA C 9 57.820 57.449 0.371 1
1 98 . 7 1 1 A 9 9 LYS CB C 9 32.862 34.419 -1.557 1
1 102 . 7 1 1 A 10 10 GLU H H 10 8.354 8.852 -0.498 1
1 103 . 7 1 1 A 10 10 GLU HA H 10 4.245 4.068 0.177 1
1 109 . 7 1 1 A 10 10 GLU C C 10 178.220 179.054 -0.834 1
1 110 . 7 1 1 A 10 10 GLU CA C 10 57.837 58.928 -1.091 1
1 111 . 7 1 1 A 10 10 GLU CB C 10 29.839 29.503 0.336 1
1 113 . 7 1 1 A 10 10 GLU N N 10 121.036 119.808 1.228 1
1 114 . 7 1 1 A 11 11 ILE H H 11 8.257 7.911 0.346 1
1 115 . 7 1 1 A 11 11 ILE HA H 11 4.025 3.776 0.249 1
1 122 . 7 1 1 A 11 11 ILE C C 11 177.395 177.873 -0.478 1
1 123 . 7 1 1 A 11 11 ILE CA C 11 62.538 64.345 -1.807 1
1 124 . 7 1 1 A 11 11 ILE CB C 11 38.434 37.716 0.718 1
1 128 . 7 1 1 A 11 11 ILE N N 11 121.653 117.880 3.773 1
1 129 . 7 1 1 A 12 12 ALA H H 12 8.371 8.354 0.017 1
1 130 . 7 1 1 A 12 12 ALA HA H 12 4.260 4.025 0.235 1
1 134 . 7 1 1 A 12 12 ALA C C 12 178.875 178.911 -0.036 1
1 135 . 7 1 1 A 12 12 ALA CA C 12 53.762 55.754 -1.992 1
1 136 . 7 1 1 A 12 12 ALA CB C 12 18.717 18.321 0.396 1
1 137 . 7 1 1 A 12 12 ALA N N 12 126.518 123.926 2.592 1
1 138 . 7 1 1 A 13 13 ASP H H 13 8.608 8.115 0.493 1
1 139 . 7 1 1 A 13 13 ASP HA H 13 4.546 4.328 0.218 1
1 142 . 7 1 1 A 13 13 ASP C C 13 177.863 179.352 -1.489 1
1 143 . 7 1 1 A 13 13 ASP CA C 13 55.465 57.137 -1.672 1
1 144 . 7 1 1 A 13 13 ASP CB C 13 40.730 40.336 0.394 1
1 145 . 7 1 1 A 13 13 ASP N N 13 119.841 118.495 1.346 1
1 146 . 7 1 1 A 14 14 GLY H H 14 8.293 8.345 -0.052 1
1 147 . 7 1 1 A 14 14 GLY HA2 H 14 3.998 3.674 0.324 1
1 148 . 7 1 1 A 14 14 GLY HA3 H 14 3.998 3.675 0.323 1
1 149 . 7 1 1 A 14 14 GLY C C 14 172.618 175.745 -3.127 1
1 150 . 7 1 1 A 14 14 GLY CA C 14 43.412 47.310 -3.898 1
1 151 . 7 1 1 A 14 14 GLY N N 14 109.075 107.851 1.224 1
1 152 . 7 1 1 A 15 15 LEU H H 15 8.119 8.190 -0.071 1
1 153 . 7 1 1 A 15 15 LEU HA H 15 4.290 4.037 0.253 1
1 163 . 7 1 1 A 15 15 LEU C C 15 178.215 178.888 -0.673 1
1 164 . 7 1 1 A 15 15 LEU CA C 15 56.113 57.628 -1.515 1
1 165 . 7 1 1 A 15 15 LEU CB C 15 42.109 41.794 0.315 1
1 169 . 7 1 1 A 15 15 LEU N N 15 122.115 123.012 -0.897 1
1 170 . 7 1 1 A 16 16 ALA H H 16 8.293 8.414 -0.121 1
1 171 . 7 1 1 A 16 16 ALA HA H 16 4.315 4.014 0.301 1
1 175 . 7 1 1 A 16 16 ALA C C 16 178.847 179.710 -0.863 1
1 176 . 7 1 1 A 16 16 ALA CA C 16 53.230 55.182 -1.952 1
1 177 . 7 1 1 A 16 16 ALA CB C 16 18.769 17.868 0.901 1
1 178 . 7 1 1 A 16 16 ALA N N 16 123.673 121.895 1.778 1
1 179 . 7 1 1 A 17 17 SER H H 17 8.294 8.000 0.294 1
1 180 . 7 1 1 A 17 17 SER HA H 17 4.405 4.043 0.362 1
1 183 . 7 1 1 A 17 17 SER C C 17 175.446 176.390 -0.944 1
1 184 . 7 1 1 A 17 17 SER CA C 17 59.398 61.645 -2.247 1
1 185 . 7 1 1 A 17 17 SER CB C 17 63.460 62.971 0.489 1
1 186 . 7 1 1 A 17 17 SER N N 17 114.615 113.061 1.554 1
1 187 . 7 1 1 A 18 18 ALA H H 18 8.308 7.927 0.381 1
1 188 . 7 1 1 A 18 18 ALA HA H 18 4.325 4.202 0.123 1
1 192 . 7 1 1 A 18 18 ALA C C 18 178.476 179.364 -0.888 1
1 193 . 7 1 1 A 18 18 ALA CA C 18 53.528 54.895 -1.367 1
1 194 . 7 1 1 A 18 18 ALA CB C 18 18.753 18.516 0.237 1
1 195 . 7 1 1 A 18 18 ALA N N 18 125.710 123.691 2.019 1
1 196 . 7 1 1 A 19 19 GLU H H 19 8.290 8.343 -0.053 1
1 197 . 7 1 1 A 19 19 GLU HA H 19 4.237 4.056 0.181 1
1 202 . 7 1 1 A 19 19 GLU C C 19 177.358 178.730 -1.372 1
1 203 . 7 1 1 A 19 19 GLU CA C 19 57.447 59.646 -2.199 1
1 204 . 7 1 1 A 19 19 GLU CB C 19 29.866 29.029 0.837 1
1 206 . 7 1 1 A 19 19 GLU N N 19 119.387 119.095 0.292 1
1 207 . 7 1 1 A 20 20 ARG H H 20 8.214 8.036 0.178 1
1 208 . 7 1 1 A 20 20 ARG HA H 20 4.244 4.028 0.216 1
1 215 . 7 1 1 A 20 20 ARG C C 20 176.546 178.362 -1.816 1
1 216 . 7 1 1 A 20 20 ARG CA C 20 56.895 59.463 -2.568 1
1 217 . 7 1 1 A 20 20 ARG CB C 20 30.596 30.070 0.526 1
1 220 . 7 1 1 A 20 20 ARG N N 20 121.283 119.664 1.619 1
1 221 . 7 1 1 A 21 21 ALA H H 21 8.247 7.344 0.903 1
1 222 . 7 1 1 A 21 21 ALA HA H 21 4.279 4.118 0.161 1
1 226 . 7 1 1 A 21 21 ALA C C 21 178.212 179.811 -1.599 1
1 227 . 7 1 1 A 21 21 ALA CA C 21 53.059 55.116 -2.057 1
1 228 . 7 1 1 A 21 21 ALA CB C 21 18.827 18.091 0.736 1
1 229 . 7 1 1 A 21 21 ALA N N 21 123.697 121.619 2.078 1
1 230 . 7 1 1 A 22 22 HIS H H 22 8.352 8.398 -0.046 1
1 231 . 7 1 1 A 22 22 HIS HA H 22 4.212 4.215 -0.003 1
1 234 . 7 1 1 A 22 22 HIS C C 22 177.321 177.309 0.012 1
1 235 . 7 1 1 A 22 22 HIS CA C 22 56.652 60.048 -3.396 1
1 236 . 7 1 1 A 22 22 HIS CB C 22 29.845 30.210 -0.365 1
1 237 . 7 1 1 A 22 22 HIS N N 22 118.280 117.300 0.980 1
1 238 . 7 1 1 A 23 23 LYS H H 23 8.336 8.609 -0.273 1
1 239 . 7 1 1 A 23 23 LYS HA H 23 4.294 3.818 0.476 1
1 248 . 7 1 1 A 23 23 LYS C C 23 176.700 178.259 -1.559 1
1 249 . 7 1 1 A 23 23 LYS CA C 23 57.000 60.075 -3.075 1
1 250 . 7 1 1 A 23 23 LYS CB C 23 32.797 32.277 0.520 1
1 254 . 7 1 1 A 23 23 LYS N N 23 122.370 119.466 2.904 1
1 255 . 7 1 1 A 24 24 ASP H H 24 8.537 8.254 0.283 1
1 256 . 7 1 1 A 24 24 ASP HA H 24 4.581 4.296 0.285 1
1 259 . 7 1 1 A 24 24 ASP C C 24 176.941 178.107 -1.166 1
1 260 . 7 1 1 A 24 24 ASP CA C 24 55.069 57.475 -2.406 1
1 261 . 7 1 1 A 24 24 ASP CB C 24 40.789 41.699 -0.910 1
1 262 . 7 1 1 A 24 24 ASP N N 24 121.152 119.835 1.317 1
1 263 . 7 1 1 A 25 25 LEU H H 25 8.215 8.454 -0.239 1
1 264 . 7 1 1 A 25 25 LEU HA H 25 4.290 4.071 0.219 1
1 273 . 7 1 1 A 25 25 LEU CA C 25 56.176 58.349 -2.173 1
1 274 . 7 1 1 A 25 25 LEU CB C 25 42.175 41.446 0.729 1
1 278 . 7 1 1 A 25 25 LEU N N 25 122.648 120.502 2.146 1
1 279 . 7 1 1 A 26 26 ASP H H 26 8.363 8.435 -0.072 1
1 280 . 7 1 1 A 26 26 ASP HA H 26 4.577 4.310 0.267 1
1 283 . 7 1 1 A 26 26 ASP C C 26 177.284 178.724 -1.440 1
1 284 . 7 1 1 A 26 26 ASP CA C 26 54.971 57.281 -2.310 1
1 285 . 7 1 1 A 26 26 ASP CB C 26 40.708 41.641 -0.933 1
1 286 . 7 1 1 A 26 26 ASP N N 26 121.040 119.116 1.924 1
1 287 . 7 1 1 A 27 27 LEU H H 27 8.228 8.307 -0.079 1
1 288 . 7 1 1 A 27 27 LEU HA H 27 4.309 3.975 0.334 1
1 297 . 7 1 1 A 27 27 LEU C C 27 178.228 178.900 -0.672 1
1 298 . 7 1 1 A 27 27 LEU CA C 27 56.235 57.944 -1.709 1
1 299 . 7 1 1 A 27 27 LEU CB C 27 42.080 41.691 0.389 1
1 303 . 7 1 1 A 27 27 LEU N N 27 122.902 119.837 3.065 1
1 304 . 7 1 1 A 28 28 ALA H H 28 8.226 8.525 -0.299 1
1 305 . 7 1 1 A 28 28 ALA HA H 28 4.313 4.084 0.229 1
1 309 . 7 1 1 A 28 28 ALA C C 28 178.768 179.792 -1.024 1
1 310 . 7 1 1 A 28 28 ALA CA C 28 50.751 55.784 -5.033 1
1 311 . 7 1 1 A 28 28 ALA CB C 28 15.973 18.183 -2.210 1
1 312 . 7 1 1 A 28 28 ALA N N 28 123.394 121.237 2.157 1
1 313 . 7 1 1 A 29 29 LYS H H 29 8.105 8.273 -0.168 1
1 314 . 7 1 1 A 29 29 LYS HA H 29 4.273 3.967 0.306 1
1 321 . 7 1 1 A 29 29 LYS C C 29 177.235 178.899 -1.664 1
1 322 . 7 1 1 A 29 29 LYS CA C 29 56.975 59.079 -2.104 1
1 323 . 7 1 1 A 29 29 LYS CB C 29 32.809 32.257 0.552 1
1 327 . 7 1 1 A 29 29 LYS N N 29 119.798 117.290 2.508 1
1 328 . 7 1 1 A 30 30 ALA H H 30 8.256 8.202 0.054 1
1 329 . 7 1 1 A 30 30 ALA HA H 30 4.333 4.125 0.208 1
1 333 . 7 1 1 A 30 30 ALA C C 30 178.374 180.083 -1.709 1
1 334 . 7 1 1 A 30 30 ALA CA C 30 53.121 55.297 -2.176 1
1 335 . 7 1 1 A 30 30 ALA CB C 30 18.978 18.464 0.514 1
1 336 . 7 1 1 A 30 30 ALA N N 30 124.377 122.617 1.760 1
1 337 . 7 1 1 A 31 31 SER H H 31 8.404 8.298 0.106 1
1 338 . 7 1 1 A 31 31 SER HA H 31 4.484 4.123 0.361 1
1 341 . 7 1 1 A 31 31 SER C C 31 175.050 177.262 -2.212 1
1 342 . 7 1 1 A 31 31 SER CA C 31 58.756 61.371 -2.615 1
1 343 . 7 1 1 A 31 31 SER CB C 31 63.797 62.864 0.933 1
1 344 . 7 1 1 A 31 31 SER N N 31 114.933 113.047 1.886 1
1 345 . 7 1 1 A 32 32 ALA H H 32 8.419 8.229 0.190 1
1 346 . 7 1 1 A 32 32 ALA HA H 32 4.414 4.133 0.281 1
1 350 . 7 1 1 A 32 32 ALA C C 32 178.933 179.935 -1.002 1
1 351 . 7 1 1 A 32 32 ALA CA C 32 53.555 55.309 -1.754 1
1 352 . 7 1 1 A 32 32 ALA CB C 32 18.785 18.194 0.591 1
1 353 . 7 1 1 A 32 32 ALA N N 32 125.821 123.087 2.734 1
1 354 . 7 1 1 A 33 33 THR H H 33 8.216 8.272 -0.056 1
1 355 . 7 1 1 A 33 33 THR HA H 33 4.364 3.941 0.423 1
1 358 . 7 1 1 A 33 33 THR C C 33 175.345 175.717 -0.372 1
1 359 . 7 1 1 A 33 33 THR CA C 33 63.424 67.794 -4.370 1
1 360 . 7 1 1 A 33 33 THR CB C 33 69.432 68.738 0.694 1
1 361 . 7 1 1 A 33 33 THR N N 33 112.980 115.567 -2.587 1
1 362 . 7 1 1 A 34 34 ASP H H 34 8.332 8.560 -0.228 1
1 363 . 7 1 1 A 34 34 ASP HA H 34 4.560 4.233 0.327 1
1 366 . 7 1 1 A 34 34 ASP C C 34 177.331 178.582 -1.251 1
1 367 . 7 1 1 A 34 34 ASP CA C 34 55.611 57.886 -2.275 1
1 368 . 7 1 1 A 34 34 ASP CB C 34 40.819 42.128 -1.309 1
1 369 . 7 1 1 A 34 34 ASP N N 34 122.777 121.496 1.281 1
1 370 . 7 1 1 A 35 35 GLN H H 35 8.376 7.978 0.398 1
1 371 . 7 1 1 A 35 35 GLN HA H 35 4.225 3.970 0.255 1
1 376 . 7 1 1 A 35 35 GLN C C 35 177.216 177.923 -0.707 1
1 377 . 7 1 1 A 35 35 GLN CA C 35 57.159 58.871 -1.712 1
1 378 . 7 1 1 A 35 35 GLN CB C 35 28.840 28.201 0.639 1
1 380 . 7 1 1 A 35 35 GLN N N 35 120.161 118.866 1.295 1
1 381 . 7 1 1 A 36 36 LEU H H 36 8.152 8.301 -0.149 1
1 382 . 7 1 1 A 36 36 LEU HA H 36 4.325 4.045 0.280 1
1 391 . 7 1 1 A 36 36 LEU C C 36 178.245 178.451 -0.206 1
1 392 . 7 1 1 A 36 36 LEU CA C 36 56.382 57.905 -1.523 1
1 393 . 7 1 1 A 36 36 LEU CB C 36 41.952 41.535 0.417 1
1 397 . 7 1 1 A 36 36 LEU N N 36 121.719 121.941 -0.222 1
1 398 . 7 1 1 A 37 37 LYS H H 37 8.140 8.361 -0.221 1
1 399 . 7 1 1 A 37 37 LYS HA H 37 4.245 3.967 0.278 1
1 408 . 7 1 1 A 37 37 LYS C C 37 177.582 178.437 -0.855 1
1 409 . 7 1 1 A 37 37 LYS CA C 37 57.518 59.594 -2.076 1
1 410 . 7 1 1 A 37 37 LYS CB C 37 32.662 32.392 0.270 1
1 414 . 7 1 1 A 37 37 LYS N N 37 121.035 118.688 2.347 1
1 415 . 7 1 1 A 38 38 LYS H H 38 8.200 8.345 -0.145 1
1 416 . 7 1 1 A 38 38 LYS HA H 38 4.259 4.013 0.246 1
1 425 . 7 1 1 A 38 38 LYS C C 38 177.094 179.170 -2.076 1
1 426 . 7 1 1 A 38 38 LYS CA C 38 57.200 59.665 -2.465 1
1 427 . 7 1 1 A 38 38 LYS CB C 38 32.881 32.423 0.458 1
1 431 . 7 1 1 A 38 38 LYS N N 38 121.951 118.679 3.272 1
1 432 . 7 1 1 A 39 39 ALA H H 39 8.310 8.289 0.021 1
1 433 . 7 1 1 A 39 39 ALA HA H 39 4.297 4.136 0.161 1
1 437 . 7 1 1 A 39 39 ALA C C 39 178.705 179.790 -1.085 1
1 438 . 7 1 1 A 39 39 ALA CA C 39 53.083 55.382 -2.299 1
1 439 . 7 1 1 A 39 39 ALA CB C 39 18.859 18.417 0.442 1
1 440 . 7 1 1 A 39 39 ALA N N 39 124.850 121.639 3.211 1
1 441 . 7 1 1 A 40 40 LYS H H 40 8.322 8.219 0.103 1
1 442 . 7 1 1 A 40 40 LYS HA H 40 4.257 3.958 0.299 1
1 451 . 7 1 1 A 40 40 LYS C C 40 176.957 178.823 -1.866 1
1 452 . 7 1 1 A 40 40 LYS CA C 40 57.048 59.575 -2.527 1
1 453 . 7 1 1 A 40 40 LYS CB C 40 32.890 32.346 0.544 1
1 457 . 7 1 1 A 40 40 LYS N N 40 120.538 117.113 3.425 1
1 458 . 7 1 1 A 41 41 ALA H H 41 8.292 8.463 -0.171 1
1 459 . 7 1 1 A 41 41 ALA HA H 41 4.328 4.058 0.270 1
1 463 . 7 1 1 A 41 41 ALA C C 41 178.535 179.169 -0.634 1
1 464 . 7 1 1 A 41 41 ALA CA C 41 53.106 55.211 -2.105 1
1 465 . 7 1 1 A 41 41 ALA CB C 41 18.889 18.351 0.538 1
1 466 . 7 1 1 A 41 41 ALA N N 41 124.385 121.702 2.683 1
1 467 . 7 1 1 A 42 42 GLU H H 42 8.441 8.404 0.037 1
1 468 . 7 1 1 A 42 42 GLU HA H 42 4.275 4.073 0.202 1
1 473 . 7 1 1 A 42 42 GLU C C 42 176.846 178.041 -1.195 1
1 474 . 7 1 1 A 42 42 GLU CA C 42 57.031 59.219 -2.188 1
1 475 . 7 1 1 A 42 42 GLU CB C 42 30.151 29.445 0.706 1
1 477 . 7 1 1 A 42 42 GLU N N 42 120.022 119.007 1.015 1
1 478 . 7 1 1 A 43 43 ALA H H 43 8.276 8.112 0.164 1
1 479 . 7 1 1 A 43 43 ALA HA H 43 4.306 4.494 -0.188 1
1 483 . 7 1 1 A 43 43 ALA C C 43 178.055 177.461 0.594 1
1 484 . 7 1 1 A 43 43 ALA CA C 43 52.974 51.923 1.051 1
1 485 . 7 1 1 A 43 43 ALA CB C 43 18.903 18.994 -0.091 1
1 486 . 7 1 1 A 43 43 ALA N N 43 124.119 119.932 4.187 1
1 487 . 7 1 1 A 44 44 GLN H H 44 8.312 7.917 0.395 1
1 488 . 7 1 1 A 44 44 GLN HA H 44 4.310 4.090 0.220 1
1 493 . 7 1 1 A 44 44 GLN C C 44 176.174 177.938 -1.764 1
1 494 . 7 1 1 A 44 44 GLN CA C 44 56.154 58.830 -2.676 1
1 495 . 7 1 1 A 44 44 GLN CB C 44 29.285 28.491 0.794 1
1 497 . 7 1 1 A 44 44 GLN N N 44 119.573 119.326 0.247 1
1 498 . 7 1 1 A 45 45 VAL H H 45 8.206 7.436 0.770 1
1 499 . 7 1 1 A 45 45 VAL HA H 45 4.360 4.002 0.358 1
1 504 . 7 1 1 A 45 45 VAL C C 45 176.263 175.446 0.817 1
1 505 . 7 1 1 A 45 45 VAL CA C 45 63.120 64.760 -1.640 1
1 506 . 7 1 1 A 45 45 VAL CB C 45 32.386 32.874 -0.488 1
1 509 . 7 1 1 A 45 45 VAL N N 45 122.385 117.522 4.863 1
1 510 . 7 1 1 A 46 46 ILE H H 46 8.045 7.824 0.221 1
1 511 . 7 1 1 A 46 46 ILE HA H 46 4.138 4.621 -0.483 1
1 518 . 7 1 1 A 46 46 ILE C C 46 176.573 175.516 1.057 1
1 519 . 7 1 1 A 46 46 ILE CA C 46 61.413 59.584 1.829 1
1 520 . 7 1 1 A 46 46 ILE CB C 46 38.356 40.286 -1.930 1
1 524 . 7 1 1 A 46 46 ILE N N 46 125.491 117.674 7.817 1
1 525 . 7 1 1 A 47 47 ILE H H 47 8.332 8.499 -0.167 1
1 526 . 7 1 1 A 47 47 ILE HA H 47 4.177 4.137 0.040 1
1 533 . 7 1 1 A 47 47 ILE C C 47 176.554 175.100 1.454 1
1 534 . 7 1 1 A 47 47 ILE CA C 47 61.374 61.257 0.117 1
1 535 . 7 1 1 A 47 47 ILE CB C 47 38.377 39.048 -0.671 1
1 539 . 7 1 1 A 47 47 ILE N N 47 126.147 124.769 1.378 1
1 540 . 7 1 1 A 48 48 GLU H H 48 8.587 8.543 0.044 1
1 541 . 7 1 1 A 48 48 GLU HA H 48 4.141 4.676 -0.535 1
1 544 . 7 1 1 A 48 48 GLU C C 48 176.290 174.938 1.352 1
1 545 . 7 1 1 A 48 48 GLU CA C 48 56.867 56.547 0.320 1
1 546 . 7 1 1 A 48 48 GLU CB C 48 30.160 30.474 -0.314 1
1 548 . 7 1 1 A 48 48 GLU N N 48 125.278 123.654 1.624 1
1 549 . 7 1 1 A 49 49 GLN H H 49 8.521 8.712 -0.191 1
1 550 . 7 1 1 A 49 49 GLN HA H 49 4.313 4.542 -0.229 1
1 555 . 7 1 1 A 49 49 GLN C C 49 175.798 174.273 1.525 1
1 556 . 7 1 1 A 49 49 GLN CA C 49 55.936 55.419 0.517 1
1 557 . 7 1 1 A 49 49 GLN CB C 49 29.328 27.372 1.956 1
1 559 . 7 1 1 A 49 49 GLN N N 49 125.675 125.667 0.008 1
1 560 . 7 1 1 A 50 50 ALA H H 50 8.414 7.866 0.548 1
1 561 . 7 1 1 A 50 50 ALA HA H 50 4.356 5.046 -0.690 1
1 565 . 7 1 1 A 50 50 ALA C C 50 177.553 175.541 2.012 1
1 566 . 7 1 1 A 50 50 ALA CA C 50 52.833 51.685 1.148 1
1 567 . 7 1 1 A 50 50 ALA CB C 50 19.162 22.333 -3.171 1
1 568 . 7 1 1 A 50 50 ALA N N 50 124.988 126.745 -1.757 1
1 569 . 7 1 1 A 51 51 ASN H H 51 8.467 8.898 -0.431 1
1 570 . 7 1 1 A 51 51 ASN HA H 51 4.738 5.549 -0.811 1
1 573 . 7 1 1 A 51 51 ASN C C 51 174.232 173.378 0.854 1
1 574 . 7 1 1 A 51 51 ASN CA C 51 53.358 52.299 1.059 1
1 575 . 7 1 1 A 51 51 ASN CB C 51 38.847 40.583 -1.736 1
1 576 . 7 1 1 A 51 51 ASN N N 51 118.053 119.640 -1.587 1
1 577 . 7 1 1 A 52 52 LYS H H 52 7.943 8.612 -0.669 1
1 578 . 7 1 1 A 52 52 LYS HA H 52 4.195 4.478 -0.283 1
1 583 . 7 1 1 A 52 52 LYS CA C 52 57.852 55.964 1.888 1
1 584 . 7 1 1 A 52 52 LYS CB C 52 33.585 33.656 -0.071 1
1 11 . 8 1 1 A 2 2 ALA H H 2 8.426 8.412 0.014 1
1 12 . 8 1 1 A 2 2 ALA HA H 2 4.303 4.580 -0.277 1
1 16 . 8 1 1 A 2 2 ALA C C 2 178.047 176.039 2.008 1
1 17 . 8 1 1 A 2 2 ALA CA C 2 52.957 51.436 1.521 1
1 18 . 8 1 1 A 2 2 ALA CB C 2 19.097 18.837 0.260 1
1 19 . 8 1 1 A 2 2 ALA N N 2 125.346 128.886 -3.540 1
1 20 . 8 1 1 A 3 3 ALA H H 3 8.424 8.042 0.382 1
1 21 . 8 1 1 A 3 3 ALA HA H 3 4.272 4.295 -0.023 1
1 25 . 8 1 1 A 3 3 ALA C C 3 178.831 177.788 1.043 1
1 26 . 8 1 1 A 3 3 ALA CA C 3 53.277 52.722 0.555 1
1 27 . 8 1 1 A 3 3 ALA CB C 3 18.815 19.045 -0.230 1
1 28 . 8 1 1 A 3 3 ALA N N 3 123.135 122.656 0.479 1
1 29 . 8 1 1 A 4 4 ILE H H 4 8.153 8.386 -0.233 1
1 30 . 8 1 1 A 4 4 ILE HA H 4 4.057 3.928 0.129 1
1 37 . 8 1 1 A 4 4 ILE C C 4 174.367 177.084 -2.717 1
1 38 . 8 1 1 A 4 4 ILE CA C 4 59.667 64.540 -4.873 1
1 39 . 8 1 1 A 4 4 ILE CB C 4 35.772 38.203 -2.431 1
1 43 . 8 1 1 A 4 4 ILE N N 4 120.052 125.334 -5.282 1
1 44 . 8 1 1 A 5 5 GLU H H 5 8.389 7.692 0.697 1
1 45 . 8 1 1 A 5 5 GLU HA H 5 4.242 4.456 -0.214 1
1 50 . 8 1 1 A 5 5 GLU C C 5 177.454 174.468 2.986 1
1 51 . 8 1 1 A 5 5 GLU CA C 5 57.595 55.416 2.179 1
1 52 . 8 1 1 A 5 5 GLU CB C 5 29.925 29.292 0.633 1
1 54 . 8 1 1 A 5 5 GLU N N 5 123.850 120.697 3.153 1
1 55 . 8 1 1 A 6 6 LYS H H 6 8.359 8.152 0.207 1
1 56 . 8 1 1 A 6 6 LYS HA H 6 4.232 4.606 -0.374 1
1 65 . 8 1 1 A 6 6 LYS C C 6 178.454 175.833 2.621 1
1 66 . 8 1 1 A 6 6 LYS CA C 6 57.701 55.072 2.629 1
1 67 . 8 1 1 A 6 6 LYS CB C 6 32.786 33.661 -0.875 1
1 71 . 8 1 1 A 6 6 LYS N N 6 122.313 126.353 -4.040 1
1 72 . 8 1 1 A 7 7 ARG H H 7 8.286 8.762 -0.476 1
1 73 . 8 1 1 A 7 7 ARG HA H 7 4.302 4.235 0.067 1
1 78 . 8 1 1 A 7 7 ARG C C 7 177.255 177.260 -0.005 1
1 79 . 8 1 1 A 7 7 ARG CA C 7 57.082 58.006 -0.924 1
1 80 . 8 1 1 A 7 7 ARG CB C 7 30.301 30.736 -0.435 1
1 83 . 8 1 1 A 7 7 ARG N N 7 121.287 125.585 -4.298 1
1 84 . 8 1 1 A 8 8 GLN H H 8 8.441 8.016 0.425 1
1 85 . 8 1 1 A 8 8 GLN CA C 8 57.140 57.440 -0.300 1
1 86 . 8 1 1 A 8 8 GLN CB C 8 30.176 31.629 -1.453 1
1 87 . 8 1 1 A 8 8 GLN N N 8 120.311 114.366 5.945 1
1 88 . 8 1 1 A 9 9 LYS HA H 9 4.232 4.495 -0.263 1
1 97 . 8 1 1 A 9 9 LYS CA C 9 57.820 55.467 2.353 1
1 98 . 8 1 1 A 9 9 LYS CB C 9 32.862 32.904 -0.042 1
1 102 . 8 1 1 A 10 10 GLU H H 10 8.354 8.387 -0.033 1
1 103 . 8 1 1 A 10 10 GLU HA H 10 4.245 4.083 0.162 1
1 109 . 8 1 1 A 10 10 GLU C C 10 178.220 179.308 -1.088 1
1 110 . 8 1 1 A 10 10 GLU CA C 10 57.837 59.245 -1.408 1
1 111 . 8 1 1 A 10 10 GLU CB C 10 29.839 29.575 0.264 1
1 113 . 8 1 1 A 10 10 GLU N N 10 121.036 122.602 -1.566 1
1 114 . 8 1 1 A 11 11 ILE H H 11 8.257 7.784 0.473 1
1 115 . 8 1 1 A 11 11 ILE HA H 11 4.025 3.746 0.279 1
1 122 . 8 1 1 A 11 11 ILE C C 11 177.395 177.817 -0.422 1
1 123 . 8 1 1 A 11 11 ILE CA C 11 62.538 64.418 -1.880 1
1 124 . 8 1 1 A 11 11 ILE CB C 11 38.434 37.655 0.779 1
1 128 . 8 1 1 A 11 11 ILE N N 11 121.653 117.789 3.864 1
1 129 . 8 1 1 A 12 12 ALA H H 12 8.371 8.329 0.042 1
1 130 . 8 1 1 A 12 12 ALA HA H 12 4.260 4.004 0.256 1
1 134 . 8 1 1 A 12 12 ALA C C 12 178.875 179.751 -0.876 1
1 135 . 8 1 1 A 12 12 ALA CA C 12 53.762 55.748 -1.986 1
1 136 . 8 1 1 A 12 12 ALA CB C 12 18.717 18.354 0.363 1
1 137 . 8 1 1 A 12 12 ALA N N 12 126.518 123.845 2.673 1
1 138 . 8 1 1 A 13 13 ASP H H 13 8.608 8.351 0.257 1
1 139 . 8 1 1 A 13 13 ASP HA H 13 4.546 4.385 0.161 1
1 142 . 8 1 1 A 13 13 ASP C C 13 177.863 179.672 -1.809 1
1 143 . 8 1 1 A 13 13 ASP CA C 13 55.465 57.106 -1.641 1
1 144 . 8 1 1 A 13 13 ASP CB C 13 40.730 40.082 0.648 1
1 145 . 8 1 1 A 13 13 ASP N N 13 119.841 118.960 0.881 1
1 146 . 8 1 1 A 14 14 GLY H H 14 8.293 8.308 -0.015 1
1 147 . 8 1 1 A 14 14 GLY HA2 H 14 3.998 3.681 0.317 1
1 148 . 8 1 1 A 14 14 GLY HA3 H 14 3.998 3.684 0.314 1
1 149 . 8 1 1 A 14 14 GLY C C 14 172.618 175.823 -3.205 1
1 150 . 8 1 1 A 14 14 GLY CA C 14 43.412 47.317 -3.905 1
1 151 . 8 1 1 A 14 14 GLY N N 14 109.075 108.901 0.174 1
1 152 . 8 1 1 A 15 15 LEU H H 15 8.119 8.178 -0.059 1
1 153 . 8 1 1 A 15 15 LEU HA H 15 4.290 4.020 0.270 1
1 163 . 8 1 1 A 15 15 LEU C C 15 178.215 178.722 -0.507 1
1 164 . 8 1 1 A 15 15 LEU CA C 15 56.113 57.657 -1.544 1
1 165 . 8 1 1 A 15 15 LEU CB C 15 42.109 41.774 0.335 1
1 169 . 8 1 1 A 15 15 LEU N N 15 122.115 122.986 -0.871 1
1 170 . 8 1 1 A 16 16 ALA H H 16 8.293 8.426 -0.133 1
1 171 . 8 1 1 A 16 16 ALA HA H 16 4.315 4.017 0.298 1
1 175 . 8 1 1 A 16 16 ALA C C 16 178.847 179.797 -0.950 1
1 176 . 8 1 1 A 16 16 ALA CA C 16 53.230 55.224 -1.994 1
1 177 . 8 1 1 A 16 16 ALA CB C 16 18.769 17.754 1.015 1
1 178 . 8 1 1 A 16 16 ALA N N 16 123.673 121.901 1.772 1
1 179 . 8 1 1 A 17 17 SER H H 17 8.294 8.289 0.005 1
1 180 . 8 1 1 A 17 17 SER HA H 17 4.405 4.233 0.172 1
1 183 . 8 1 1 A 17 17 SER C C 17 175.446 177.080 -1.634 1
1 184 . 8 1 1 A 17 17 SER CA C 17 59.398 61.526 -2.128 1
1 185 . 8 1 1 A 17 17 SER CB C 17 63.460 62.270 1.190 1
1 186 . 8 1 1 A 17 17 SER N N 17 114.615 112.875 1.740 1
1 187 . 8 1 1 A 18 18 ALA H H 18 8.308 7.878 0.430 1
1 188 . 8 1 1 A 18 18 ALA HA H 18 4.325 4.110 0.215 1
1 192 . 8 1 1 A 18 18 ALA C C 18 178.476 179.455 -0.979 1
1 193 . 8 1 1 A 18 18 ALA CA C 18 53.528 54.797 -1.269 1
1 194 . 8 1 1 A 18 18 ALA CB C 18 18.753 18.408 0.345 1
1 195 . 8 1 1 A 18 18 ALA N N 18 125.710 123.831 1.879 1
1 196 . 8 1 1 A 19 19 GLU H H 19 8.290 8.091 0.199 1
1 197 . 8 1 1 A 19 19 GLU HA H 19 4.237 4.068 0.169 1
1 202 . 8 1 1 A 19 19 GLU C C 19 177.358 178.830 -1.472 1
1 203 . 8 1 1 A 19 19 GLU CA C 19 57.447 59.622 -2.175 1
1 204 . 8 1 1 A 19 19 GLU CB C 19 29.866 29.318 0.548 1
1 206 . 8 1 1 A 19 19 GLU N N 19 119.387 118.982 0.405 1
1 207 . 8 1 1 A 20 20 ARG H H 20 8.214 8.108 0.106 1
1 208 . 8 1 1 A 20 20 ARG HA H 20 4.244 4.065 0.179 1
1 215 . 8 1 1 A 20 20 ARG C C 20 176.546 178.835 -2.289 1
1 216 . 8 1 1 A 20 20 ARG CA C 20 56.895 58.917 -2.022 1
1 217 . 8 1 1 A 20 20 ARG CB C 20 30.596 30.212 0.384 1
1 220 . 8 1 1 A 20 20 ARG N N 20 121.283 118.874 2.409 1
1 221 . 8 1 1 A 21 21 ALA H H 21 8.247 7.449 0.798 1
1 222 . 8 1 1 A 21 21 ALA HA H 21 4.279 4.115 0.164 1
1 226 . 8 1 1 A 21 21 ALA C C 21 178.212 179.420 -1.208 1
1 227 . 8 1 1 A 21 21 ALA CA C 21 53.059 55.171 -2.112 1
1 228 . 8 1 1 A 21 21 ALA CB C 21 18.827 18.378 0.449 1
1 229 . 8 1 1 A 21 21 ALA N N 21 123.697 121.825 1.872 1
1 230 . 8 1 1 A 22 22 HIS H H 22 8.352 8.342 0.010 1
1 231 . 8 1 1 A 22 22 HIS HA H 22 4.212 4.113 0.099 1
1 234 . 8 1 1 A 22 22 HIS C C 22 177.321 176.670 0.651 1
1 235 . 8 1 1 A 22 22 HIS CA C 22 56.652 59.746 -3.094 1
1 236 . 8 1 1 A 22 22 HIS CB C 22 29.845 29.587 0.258 1
1 237 . 8 1 1 A 22 22 HIS N N 22 118.280 118.585 -0.305 1
1 238 . 8 1 1 A 23 23 LYS H H 23 8.336 8.502 -0.166 1
1 239 . 8 1 1 A 23 23 LYS HA H 23 4.294 3.774 0.520 1
1 248 . 8 1 1 A 23 23 LYS C C 23 176.700 178.545 -1.845 1
1 249 . 8 1 1 A 23 23 LYS CA C 23 57.000 60.065 -3.065 1
1 250 . 8 1 1 A 23 23 LYS CB C 23 32.797 32.298 0.499 1
1 254 . 8 1 1 A 23 23 LYS N N 23 122.370 118.732 3.638 1
1 255 . 8 1 1 A 24 24 ASP H H 24 8.537 8.290 0.247 1
1 256 . 8 1 1 A 24 24 ASP HA H 24 4.581 4.299 0.282 1
1 259 . 8 1 1 A 24 24 ASP C C 24 176.941 178.193 -1.252 1
1 260 . 8 1 1 A 24 24 ASP CA C 24 55.069 57.814 -2.745 1
1 261 . 8 1 1 A 24 24 ASP CB C 24 40.789 41.425 -0.636 1
1 262 . 8 1 1 A 24 24 ASP N N 24 121.152 119.831 1.321 1
1 263 . 8 1 1 A 25 25 LEU H H 25 8.215 8.378 -0.163 1
1 264 . 8 1 1 A 25 25 LEU HA H 25 4.290 4.060 0.230 1
1 273 . 8 1 1 A 25 25 LEU CA C 25 56.176 58.186 -2.010 1
1 274 . 8 1 1 A 25 25 LEU CB C 25 42.175 41.221 0.954 1
1 278 . 8 1 1 A 25 25 LEU N N 25 122.648 120.456 2.192 1
1 279 . 8 1 1 A 26 26 ASP H H 26 8.363 8.218 0.145 1
1 280 . 8 1 1 A 26 26 ASP HA H 26 4.577 4.362 0.215 1
1 283 . 8 1 1 A 26 26 ASP C C 26 177.284 178.669 -1.385 1
1 284 . 8 1 1 A 26 26 ASP CA C 26 54.971 56.994 -2.023 1
1 285 . 8 1 1 A 26 26 ASP CB C 26 40.708 40.701 0.007 1
1 286 . 8 1 1 A 26 26 ASP N N 26 121.040 118.695 2.345 1
1 287 . 8 1 1 A 27 27 LEU H H 27 8.228 8.196 0.032 1
1 288 . 8 1 1 A 27 27 LEU HA H 27 4.309 4.162 0.147 1
1 297 . 8 1 1 A 27 27 LEU C C 27 178.228 178.441 -0.213 1
1 298 . 8 1 1 A 27 27 LEU CA C 27 56.235 57.907 -1.672 1
1 299 . 8 1 1 A 27 27 LEU CB C 27 42.080 41.431 0.649 1
1 303 . 8 1 1 A 27 27 LEU N N 27 122.902 121.291 1.611 1
1 304 . 8 1 1 A 28 28 ALA H H 28 8.226 8.705 -0.479 1
1 305 . 8 1 1 A 28 28 ALA HA H 28 4.313 4.094 0.219 1
1 309 . 8 1 1 A 28 28 ALA C C 28 178.768 179.015 -0.247 1
1 310 . 8 1 1 A 28 28 ALA CA C 28 50.751 55.687 -4.936 1
1 311 . 8 1 1 A 28 28 ALA CB C 28 15.973 18.249 -2.276 1
1 312 . 8 1 1 A 28 28 ALA N N 28 123.394 121.510 1.884 1
1 313 . 8 1 1 A 29 29 LYS H H 29 8.105 8.377 -0.272 1
1 314 . 8 1 1 A 29 29 LYS HA H 29 4.273 3.925 0.348 1
1 321 . 8 1 1 A 29 29 LYS C C 29 177.235 178.398 -1.163 1
1 322 . 8 1 1 A 29 29 LYS CA C 29 56.975 59.625 -2.650 1
1 323 . 8 1 1 A 29 29 LYS CB C 29 32.809 32.372 0.437 1
1 327 . 8 1 1 A 29 29 LYS N N 29 119.798 118.264 1.534 1
1 328 . 8 1 1 A 30 30 ALA H H 30 8.256 8.235 0.021 1
1 329 . 8 1 1 A 30 30 ALA HA H 30 4.333 4.090 0.243 1
1 333 . 8 1 1 A 30 30 ALA C C 30 178.374 179.659 -1.285 1
1 334 . 8 1 1 A 30 30 ALA CA C 30 53.121 55.262 -2.141 1
1 335 . 8 1 1 A 30 30 ALA CB C 30 18.978 18.522 0.456 1
1 336 . 8 1 1 A 30 30 ALA N N 30 124.377 120.235 4.142 1
1 337 . 8 1 1 A 31 31 SER H H 31 8.404 8.091 0.313 1
1 338 . 8 1 1 A 31 31 SER HA H 31 4.484 4.040 0.444 1
1 341 . 8 1 1 A 31 31 SER C C 31 175.050 176.383 -1.333 1
1 342 . 8 1 1 A 31 31 SER CA C 31 58.756 61.671 -2.915 1
1 343 . 8 1 1 A 31 31 SER CB C 31 63.797 62.924 0.873 1
1 344 . 8 1 1 A 31 31 SER N N 31 114.933 112.678 2.255 1
1 345 . 8 1 1 A 32 32 ALA H H 32 8.419 7.829 0.590 1
1 346 . 8 1 1 A 32 32 ALA HA H 32 4.414 4.140 0.274 1
1 350 . 8 1 1 A 32 32 ALA C C 32 178.933 179.916 -0.983 1
1 351 . 8 1 1 A 32 32 ALA CA C 32 53.555 55.001 -1.446 1
1 352 . 8 1 1 A 32 32 ALA CB C 32 18.785 18.400 0.385 1
1 353 . 8 1 1 A 32 32 ALA N N 32 125.821 123.685 2.136 1
1 354 . 8 1 1 A 33 33 THR H H 33 8.216 8.247 -0.031 1
1 355 . 8 1 1 A 33 33 THR HA H 33 4.364 3.921 0.443 1
1 358 . 8 1 1 A 33 33 THR C C 33 175.345 175.874 -0.529 1
1 359 . 8 1 1 A 33 33 THR CA C 33 63.424 67.638 -4.214 1
1 360 . 8 1 1 A 33 33 THR CB C 33 69.432 68.403 1.029 1
1 361 . 8 1 1 A 33 33 THR N N 33 112.980 113.245 -0.265 1
1 362 . 8 1 1 A 34 34 ASP H H 34 8.332 8.435 -0.103 1
1 363 . 8 1 1 A 34 34 ASP HA H 34 4.560 4.237 0.323 1
1 366 . 8 1 1 A 34 34 ASP C C 34 177.331 178.570 -1.239 1
1 367 . 8 1 1 A 34 34 ASP CA C 34 55.611 57.879 -2.268 1
1 368 . 8 1 1 A 34 34 ASP CB C 34 40.819 41.706 -0.887 1
1 369 . 8 1 1 A 34 34 ASP N N 34 122.777 121.384 1.393 1
1 370 . 8 1 1 A 35 35 GLN H H 35 8.376 7.805 0.571 1
1 371 . 8 1 1 A 35 35 GLN HA H 35 4.225 4.040 0.185 1
1 376 . 8 1 1 A 35 35 GLN C C 35 177.216 177.993 -0.777 1
1 377 . 8 1 1 A 35 35 GLN CA C 35 57.159 58.599 -1.440 1
1 378 . 8 1 1 A 35 35 GLN CB C 35 28.840 28.112 0.728 1
1 380 . 8 1 1 A 35 35 GLN N N 35 120.161 119.493 0.668 1
1 381 . 8 1 1 A 36 36 LEU H H 36 8.152 8.164 -0.012 1
1 382 . 8 1 1 A 36 36 LEU HA H 36 4.325 4.062 0.263 1
1 391 . 8 1 1 A 36 36 LEU C C 36 178.245 178.368 -0.123 1
1 392 . 8 1 1 A 36 36 LEU CA C 36 56.382 58.001 -1.619 1
1 393 . 8 1 1 A 36 36 LEU CB C 36 41.952 41.942 0.010 1
1 397 . 8 1 1 A 36 36 LEU N N 36 121.719 121.089 0.630 1
1 398 . 8 1 1 A 37 37 LYS H H 37 8.140 8.250 -0.110 1
1 399 . 8 1 1 A 37 37 LYS HA H 37 4.245 3.973 0.272 1
1 408 . 8 1 1 A 37 37 LYS C C 37 177.582 178.769 -1.187 1
1 409 . 8 1 1 A 37 37 LYS CA C 37 57.518 59.533 -2.015 1
1 410 . 8 1 1 A 37 37 LYS CB C 37 32.662 32.416 0.246 1
1 414 . 8 1 1 A 37 37 LYS N N 37 121.035 118.825 2.210 1
1 415 . 8 1 1 A 38 38 LYS H H 38 8.200 8.179 0.021 1
1 416 . 8 1 1 A 38 38 LYS HA H 38 4.259 4.051 0.208 1
1 425 . 8 1 1 A 38 38 LYS C C 38 177.094 178.795 -1.701 1
1 426 . 8 1 1 A 38 38 LYS CA C 38 57.200 59.329 -2.129 1
1 427 . 8 1 1 A 38 38 LYS CB C 38 32.881 32.329 0.552 1
1 431 . 8 1 1 A 38 38 LYS N N 38 121.951 119.383 2.568 1
1 432 . 8 1 1 A 39 39 ALA H H 39 8.310 8.525 -0.215 1
1 433 . 8 1 1 A 39 39 ALA HA H 39 4.297 4.106 0.191 1
1 437 . 8 1 1 A 39 39 ALA C C 39 178.705 179.152 -0.447 1
1 438 . 8 1 1 A 39 39 ALA CA C 39 53.083 55.176 -2.093 1
1 439 . 8 1 1 A 39 39 ALA CB C 39 18.859 18.807 0.052 1
1 440 . 8 1 1 A 39 39 ALA N N 39 124.850 120.958 3.892 1
1 441 . 8 1 1 A 40 40 LYS H H 40 8.322 8.084 0.238 1
1 442 . 8 1 1 A 40 40 LYS HA H 40 4.257 3.958 0.299 1
1 451 . 8 1 1 A 40 40 LYS C C 40 176.957 178.444 -1.487 1
1 452 . 8 1 1 A 40 40 LYS CA C 40 57.048 59.599 -2.551 1
1 453 . 8 1 1 A 40 40 LYS CB C 40 32.890 32.428 0.462 1
1 457 . 8 1 1 A 40 40 LYS N N 40 120.538 118.607 1.931 1
1 458 . 8 1 1 A 41 41 ALA H H 41 8.292 8.481 -0.189 1
1 459 . 8 1 1 A 41 41 ALA HA H 41 4.328 4.062 0.266 1
1 463 . 8 1 1 A 41 41 ALA C C 41 178.535 179.552 -1.017 1
1 464 . 8 1 1 A 41 41 ALA CA C 41 53.106 55.005 -1.899 1
1 465 . 8 1 1 A 41 41 ALA CB C 41 18.889 18.440 0.449 1
1 466 . 8 1 1 A 41 41 ALA N N 41 124.385 120.869 3.516 1
1 467 . 8 1 1 A 42 42 GLU H H 42 8.441 8.462 -0.021 1
1 468 . 8 1 1 A 42 42 GLU HA H 42 4.275 4.069 0.206 1
1 473 . 8 1 1 A 42 42 GLU C C 42 176.846 178.343 -1.497 1
1 474 . 8 1 1 A 42 42 GLU CA C 42 57.031 59.239 -2.208 1
1 475 . 8 1 1 A 42 42 GLU CB C 42 30.151 29.350 0.801 1
1 477 . 8 1 1 A 42 42 GLU N N 42 120.022 118.332 1.690 1
1 478 . 8 1 1 A 43 43 ALA H H 43 8.276 7.923 0.353 1
1 479 . 8 1 1 A 43 43 ALA HA H 43 4.306 4.166 0.140 1
1 483 . 8 1 1 A 43 43 ALA C C 43 178.055 177.792 0.263 1
1 484 . 8 1 1 A 43 43 ALA CA C 43 52.974 54.427 -1.453 1
1 485 . 8 1 1 A 43 43 ALA CB C 43 18.903 18.425 0.478 1
1 486 . 8 1 1 A 43 43 ALA N N 43 124.119 121.134 2.985 1
1 487 . 8 1 1 A 44 44 GLN H H 44 8.312 7.428 0.884 1
1 488 . 8 1 1 A 44 44 GLN HA H 44 4.310 4.718 -0.408 1
1 493 . 8 1 1 A 44 44 GLN C C 44 176.174 175.441 0.733 1
1 494 . 8 1 1 A 44 44 GLN CA C 44 56.154 54.642 1.512 1
1 495 . 8 1 1 A 44 44 GLN CB C 44 29.285 30.511 -1.226 1
1 497 . 8 1 1 A 44 44 GLN N N 44 119.573 118.179 1.394 1
1 498 . 8 1 1 A 45 45 VAL H H 45 8.206 8.513 -0.307 1
1 499 . 8 1 1 A 45 45 VAL HA H 45 4.360 4.037 0.323 1
1 504 . 8 1 1 A 45 45 VAL C C 45 176.263 175.909 0.354 1
1 505 . 8 1 1 A 45 45 VAL CA C 45 63.120 62.751 0.369 1
1 506 . 8 1 1 A 45 45 VAL CB C 45 32.386 32.156 0.230 1
1 509 . 8 1 1 A 45 45 VAL N N 45 122.385 124.917 -2.532 1
1 510 . 8 1 1 A 46 46 ILE H H 46 8.045 8.608 -0.563 1
1 511 . 8 1 1 A 46 46 ILE HA H 46 4.138 4.313 -0.175 1
1 518 . 8 1 1 A 46 46 ILE C C 46 176.573 174.701 1.872 1
1 519 . 8 1 1 A 46 46 ILE CA C 46 61.413 61.390 0.023 1
1 520 . 8 1 1 A 46 46 ILE CB C 46 38.356 36.113 2.243 1
1 524 . 8 1 1 A 46 46 ILE N N 46 125.491 128.379 -2.888 1
1 525 . 8 1 1 A 47 47 ILE H H 47 8.332 8.168 0.164 1
1 526 . 8 1 1 A 47 47 ILE HA H 47 4.177 4.978 -0.801 1
1 533 . 8 1 1 A 47 47 ILE C C 47 176.554 175.218 1.336 1
1 534 . 8 1 1 A 47 47 ILE CA C 47 61.374 58.706 2.668 1
1 535 . 8 1 1 A 47 47 ILE CB C 47 38.377 41.370 -2.993 1
1 539 . 8 1 1 A 47 47 ILE N N 47 126.147 121.531 4.616 1
1 540 . 8 1 1 A 48 48 GLU H H 48 8.587 8.437 0.150 1
1 541 . 8 1 1 A 48 48 GLU HA H 48 4.141 4.332 -0.191 1
1 544 . 8 1 1 A 48 48 GLU C C 48 176.290 176.178 0.112 1
1 545 . 8 1 1 A 48 48 GLU CA C 48 56.867 55.410 1.457 1
1 546 . 8 1 1 A 48 48 GLU CB C 48 30.160 30.172 -0.012 1
1 548 . 8 1 1 A 48 48 GLU N N 48 125.278 121.775 3.503 1
1 549 . 8 1 1 A 49 49 GLN H H 49 8.521 8.754 -0.233 1
1 550 . 8 1 1 A 49 49 GLN HA H 49 4.313 5.216 -0.903 1
1 555 . 8 1 1 A 49 49 GLN C C 49 175.798 174.470 1.328 1
1 556 . 8 1 1 A 49 49 GLN CA C 49 55.936 54.421 1.515 1
1 557 . 8 1 1 A 49 49 GLN CB C 49 29.328 31.878 -2.550 1
1 559 . 8 1 1 A 49 49 GLN N N 49 125.675 115.831 9.844 1
1 560 . 8 1 1 A 50 50 ALA H H 50 8.414 8.728 -0.314 1
1 561 . 8 1 1 A 50 50 ALA HA H 50 4.356 4.784 -0.428 1
1 565 . 8 1 1 A 50 50 ALA C C 50 177.553 175.226 2.327 1
1 566 . 8 1 1 A 50 50 ALA CA C 50 52.833 51.286 1.547 1
1 567 . 8 1 1 A 50 50 ALA CB C 50 19.162 22.854 -3.692 1
1 568 . 8 1 1 A 50 50 ALA N N 50 124.988 122.372 2.616 1
1 569 . 8 1 1 A 51 51 ASN H H 51 8.467 8.738 -0.271 1
1 570 . 8 1 1 A 51 51 ASN HA H 51 4.738 5.432 -0.694 1
1 573 . 8 1 1 A 51 51 ASN C C 51 174.232 174.980 -0.748 1
1 574 . 8 1 1 A 51 51 ASN CA C 51 53.358 51.604 1.754 1
1 575 . 8 1 1 A 51 51 ASN CB C 51 38.847 39.965 -1.118 1
1 576 . 8 1 1 A 51 51 ASN N N 51 118.053 116.803 1.250 1
1 577 . 8 1 1 A 52 52 LYS H H 52 7.943 9.062 -1.119 1
1 578 . 8 1 1 A 52 52 LYS HA H 52 4.195 5.164 -0.969 1
1 583 . 8 1 1 A 52 52 LYS CA C 52 57.852 54.473 3.379 1
1 584 . 8 1 1 A 52 52 LYS CB C 52 33.585 35.652 -2.067 1
1 11 . 9 1 1 A 2 2 ALA H H 2 8.426 8.692 -0.266 1
1 12 . 9 1 1 A 2 2 ALA HA H 2 4.303 4.774 -0.471 1
1 16 . 9 1 1 A 2 2 ALA C C 2 178.047 175.812 2.235 1
1 17 . 9 1 1 A 2 2 ALA CA C 2 52.957 51.259 1.698 1
1 18 . 9 1 1 A 2 2 ALA CB C 2 19.097 22.811 -3.714 1
1 19 . 9 1 1 A 2 2 ALA N N 2 125.346 126.961 -1.615 1
1 20 . 9 1 1 A 3 3 ALA H H 3 8.424 8.554 -0.130 1
1 21 . 9 1 1 A 3 3 ALA HA H 3 4.272 4.393 -0.121 1
1 25 . 9 1 1 A 3 3 ALA C C 3 178.831 178.824 0.007 1
1 26 . 9 1 1 A 3 3 ALA CA C 3 53.277 52.288 0.989 1
1 27 . 9 1 1 A 3 3 ALA CB C 3 18.815 18.668 0.147 1
1 28 . 9 1 1 A 3 3 ALA N N 3 123.135 122.598 0.537 1
1 29 . 9 1 1 A 4 4 ILE H H 4 8.153 8.453 -0.300 1
1 30 . 9 1 1 A 4 4 ILE HA H 4 4.057 3.993 0.064 1
1 37 . 9 1 1 A 4 4 ILE C C 4 174.367 176.182 -1.815 1
1 38 . 9 1 1 A 4 4 ILE CA C 4 59.667 63.469 -3.802 1
1 39 . 9 1 1 A 4 4 ILE CB C 4 35.772 37.991 -2.219 1
1 43 . 9 1 1 A 4 4 ILE N N 4 120.052 121.036 -0.984 1
1 44 . 9 1 1 A 5 5 GLU H H 5 8.389 7.723 0.666 1
1 45 . 9 1 1 A 5 5 GLU HA H 5 4.242 4.605 -0.363 1
1 50 . 9 1 1 A 5 5 GLU C C 5 177.454 175.851 1.603 1
1 51 . 9 1 1 A 5 5 GLU CA C 5 57.595 55.807 1.788 1
1 52 . 9 1 1 A 5 5 GLU CB C 5 29.925 29.687 0.238 1
1 54 . 9 1 1 A 5 5 GLU N N 5 123.850 119.120 4.730 1
1 55 . 9 1 1 A 6 6 LYS H H 6 8.359 7.957 0.402 1
1 56 . 9 1 1 A 6 6 LYS HA H 6 4.232 4.921 -0.689 1
1 65 . 9 1 1 A 6 6 LYS C C 6 178.454 175.585 2.869 1
1 66 . 9 1 1 A 6 6 LYS CA C 6 57.701 54.760 2.941 1
1 67 . 9 1 1 A 6 6 LYS CB C 6 32.786 35.178 -2.392 1
1 71 . 9 1 1 A 6 6 LYS N N 6 122.313 120.039 2.274 1
1 72 . 9 1 1 A 7 7 ARG H H 7 8.286 9.131 -0.845 1
1 73 . 9 1 1 A 7 7 ARG HA H 7 4.302 4.558 -0.256 1
1 78 . 9 1 1 A 7 7 ARG C C 7 177.255 176.089 1.166 1
1 79 . 9 1 1 A 7 7 ARG CA C 7 57.082 56.871 0.211 1
1 80 . 9 1 1 A 7 7 ARG CB C 7 30.301 32.966 -2.665 1
1 83 . 9 1 1 A 7 7 ARG N N 7 121.287 123.722 -2.435 1
1 84 . 9 1 1 A 8 8 GLN H H 8 8.441 7.988 0.453 1
1 85 . 9 1 1 A 8 8 GLN CA C 8 57.140 55.006 2.134 1
1 86 . 9 1 1 A 8 8 GLN CB C 8 30.176 31.316 -1.140 1
1 87 . 9 1 1 A 8 8 GLN N N 8 120.311 113.301 7.010 1
1 88 . 9 1 1 A 9 9 LYS HA H 9 4.232 4.537 -0.305 1
1 97 . 9 1 1 A 9 9 LYS CA C 9 57.820 57.718 0.102 1
1 98 . 9 1 1 A 9 9 LYS CB C 9 32.862 35.202 -2.340 1
1 102 . 9 1 1 A 10 10 GLU H H 10 8.354 8.563 -0.209 1
1 103 . 9 1 1 A 10 10 GLU HA H 10 4.245 4.189 0.056 1
1 109 . 9 1 1 A 10 10 GLU C C 10 178.220 179.362 -1.142 1
1 110 . 9 1 1 A 10 10 GLU CA C 10 57.837 58.810 -0.973 1
1 111 . 9 1 1 A 10 10 GLU CB C 10 29.839 29.996 -0.157 1
1 113 . 9 1 1 A 10 10 GLU N N 10 121.036 118.841 2.195 1
1 114 . 9 1 1 A 11 11 ILE H H 11 8.257 7.847 0.410 1
1 115 . 9 1 1 A 11 11 ILE HA H 11 4.025 3.769 0.256 1
1 122 . 9 1 1 A 11 11 ILE C C 11 177.395 177.738 -0.343 1
1 123 . 9 1 1 A 11 11 ILE CA C 11 62.538 64.304 -1.766 1
1 124 . 9 1 1 A 11 11 ILE CB C 11 38.434 37.710 0.724 1
1 128 . 9 1 1 A 11 11 ILE N N 11 121.653 118.237 3.416 1
1 129 . 9 1 1 A 12 12 ALA H H 12 8.371 8.322 0.049 1
1 130 . 9 1 1 A 12 12 ALA HA H 12 4.260 4.031 0.229 1
1 134 . 9 1 1 A 12 12 ALA C C 12 178.875 179.854 -0.979 1
1 135 . 9 1 1 A 12 12 ALA CA C 12 53.762 55.762 -2.000 1
1 136 . 9 1 1 A 12 12 ALA CB C 12 18.717 18.293 0.424 1
1 137 . 9 1 1 A 12 12 ALA N N 12 126.518 123.944 2.574 1
1 138 . 9 1 1 A 13 13 ASP H H 13 8.608 8.348 0.260 1
1 139 . 9 1 1 A 13 13 ASP HA H 13 4.546 4.349 0.197 1
1 142 . 9 1 1 A 13 13 ASP C C 13 177.863 179.824 -1.961 1
1 143 . 9 1 1 A 13 13 ASP CA C 13 55.465 57.157 -1.692 1
1 144 . 9 1 1 A 13 13 ASP CB C 13 40.730 40.135 0.595 1
1 145 . 9 1 1 A 13 13 ASP N N 13 119.841 118.746 1.095 1
1 146 . 9 1 1 A 14 14 GLY H H 14 8.293 8.354 -0.061 1
1 147 . 9 1 1 A 14 14 GLY HA2 H 14 3.998 3.676 0.322 1
1 148 . 9 1 1 A 14 14 GLY HA3 H 14 3.998 3.677 0.321 1
1 149 . 9 1 1 A 14 14 GLY C C 14 172.618 175.763 -3.145 1
1 150 . 9 1 1 A 14 14 GLY CA C 14 43.412 47.296 -3.884 1
1 151 . 9 1 1 A 14 14 GLY N N 14 109.075 109.096 -0.021 1
1 152 . 9 1 1 A 15 15 LEU H H 15 8.119 8.172 -0.053 1
1 153 . 9 1 1 A 15 15 LEU HA H 15 4.290 4.033 0.257 1
1 163 . 9 1 1 A 15 15 LEU C C 15 178.215 178.833 -0.618 1
1 164 . 9 1 1 A 15 15 LEU CA C 15 56.113 57.653 -1.540 1
1 165 . 9 1 1 A 15 15 LEU CB C 15 42.109 41.928 0.181 1
1 169 . 9 1 1 A 15 15 LEU N N 15 122.115 123.004 -0.889 1
1 170 . 9 1 1 A 16 16 ALA H H 16 8.293 8.421 -0.128 1
1 171 . 9 1 1 A 16 16 ALA HA H 16 4.315 4.011 0.304 1
1 175 . 9 1 1 A 16 16 ALA C C 16 178.847 179.746 -0.899 1
1 176 . 9 1 1 A 16 16 ALA CA C 16 53.230 55.184 -1.954 1
1 177 . 9 1 1 A 16 16 ALA CB C 16 18.769 17.917 0.852 1
1 178 . 9 1 1 A 16 16 ALA N N 16 123.673 121.540 2.133 1
1 179 . 9 1 1 A 17 17 SER H H 17 8.294 7.979 0.315 1
1 180 . 9 1 1 A 17 17 SER HA H 17 4.405 4.119 0.286 1
1 183 . 9 1 1 A 17 17 SER C C 17 175.446 176.912 -1.466 1
1 184 . 9 1 1 A 17 17 SER CA C 17 59.398 61.489 -2.091 1
1 185 . 9 1 1 A 17 17 SER CB C 17 63.460 63.042 0.418 1
1 186 . 9 1 1 A 17 17 SER N N 17 114.615 113.398 1.217 1
1 187 . 9 1 1 A 18 18 ALA H H 18 8.308 7.977 0.331 1
1 188 . 9 1 1 A 18 18 ALA HA H 18 4.325 4.179 0.146 1
1 192 . 9 1 1 A 18 18 ALA C C 18 178.476 179.432 -0.956 1
1 193 . 9 1 1 A 18 18 ALA CA C 18 53.528 54.852 -1.324 1
1 194 . 9 1 1 A 18 18 ALA CB C 18 18.753 18.479 0.274 1
1 195 . 9 1 1 A 18 18 ALA N N 18 125.710 122.529 3.181 1
1 196 . 9 1 1 A 19 19 GLU H H 19 8.290 8.425 -0.135 1
1 197 . 9 1 1 A 19 19 GLU HA H 19 4.237 4.031 0.206 1
1 202 . 9 1 1 A 19 19 GLU C C 19 177.358 178.774 -1.416 1
1 203 . 9 1 1 A 19 19 GLU CA C 19 57.447 59.633 -2.186 1
1 204 . 9 1 1 A 19 19 GLU CB C 19 29.866 29.117 0.749 1
1 206 . 9 1 1 A 19 19 GLU N N 19 119.387 119.007 0.380 1
1 207 . 9 1 1 A 20 20 ARG H H 20 8.214 8.145 0.069 1
1 208 . 9 1 1 A 20 20 ARG HA H 20 4.244 4.015 0.229 1
1 215 . 9 1 1 A 20 20 ARG C C 20 176.546 178.189 -1.643 1
1 216 . 9 1 1 A 20 20 ARG CA C 20 56.895 59.233 -2.338 1
1 217 . 9 1 1 A 20 20 ARG CB C 20 30.596 30.138 0.458 1
1 220 . 9 1 1 A 20 20 ARG N N 20 121.283 119.906 1.377 1
1 221 . 9 1 1 A 21 21 ALA H H 21 8.247 7.370 0.877 1
1 222 . 9 1 1 A 21 21 ALA HA H 21 4.279 4.111 0.168 1
1 226 . 9 1 1 A 21 21 ALA C C 21 178.212 179.486 -1.274 1
1 227 . 9 1 1 A 21 21 ALA CA C 21 53.059 55.127 -2.068 1
1 228 . 9 1 1 A 21 21 ALA CB C 21 18.827 18.355 0.472 1
1 229 . 9 1 1 A 21 21 ALA N N 21 123.697 121.840 1.857 1
1 230 . 9 1 1 A 22 22 HIS H H 22 8.352 8.232 0.120 1
1 231 . 9 1 1 A 22 22 HIS HA H 22 4.212 4.146 0.066 1
1 234 . 9 1 1 A 22 22 HIS C C 22 177.321 176.835 0.486 1
1 235 . 9 1 1 A 22 22 HIS CA C 22 56.652 59.923 -3.271 1
1 236 . 9 1 1 A 22 22 HIS CB C 22 29.845 29.420 0.425 1
1 237 . 9 1 1 A 22 22 HIS N N 22 118.280 118.094 0.186 1
1 238 . 9 1 1 A 23 23 LYS H H 23 8.336 8.548 -0.212 1
1 239 . 9 1 1 A 23 23 LYS HA H 23 4.294 3.831 0.463 1
1 248 . 9 1 1 A 23 23 LYS C C 23 176.700 178.166 -1.466 1
1 249 . 9 1 1 A 23 23 LYS CA C 23 57.000 60.064 -3.064 1
1 250 . 9 1 1 A 23 23 LYS CB C 23 32.797 32.482 0.315 1
1 254 . 9 1 1 A 23 23 LYS N N 23 122.370 119.352 3.018 1
1 255 . 9 1 1 A 24 24 ASP H H 24 8.537 8.291 0.246 1
1 256 . 9 1 1 A 24 24 ASP HA H 24 4.581 4.301 0.280 1
1 259 . 9 1 1 A 24 24 ASP C C 24 176.941 178.542 -1.601 1
1 260 . 9 1 1 A 24 24 ASP CA C 24 55.069 57.407 -2.338 1
1 261 . 9 1 1 A 24 24 ASP CB C 24 40.789 41.925 -1.136 1
1 262 . 9 1 1 A 24 24 ASP N N 24 121.152 119.901 1.251 1
1 263 . 9 1 1 A 25 25 LEU H H 25 8.215 8.334 -0.119 1
1 264 . 9 1 1 A 25 25 LEU HA H 25 4.290 3.962 0.328 1
1 273 . 9 1 1 A 25 25 LEU CA C 25 56.176 58.268 -2.092 1
1 274 . 9 1 1 A 25 25 LEU CB C 25 42.175 41.300 0.875 1
1 278 . 9 1 1 A 25 25 LEU N N 25 122.648 120.440 2.208 1
1 279 . 9 1 1 A 26 26 ASP H H 26 8.363 8.340 0.023 1
1 280 . 9 1 1 A 26 26 ASP HA H 26 4.577 4.328 0.249 1
1 283 . 9 1 1 A 26 26 ASP C C 26 177.284 178.758 -1.474 1
1 284 . 9 1 1 A 26 26 ASP CA C 26 54.971 56.921 -1.950 1
1 285 . 9 1 1 A 26 26 ASP CB C 26 40.708 41.151 -0.443 1
1 286 . 9 1 1 A 26 26 ASP N N 26 121.040 119.392 1.648 1
1 287 . 9 1 1 A 27 27 LEU H H 27 8.228 8.337 -0.109 1
1 288 . 9 1 1 A 27 27 LEU HA H 27 4.309 4.127 0.182 1
1 297 . 9 1 1 A 27 27 LEU C C 27 178.228 178.633 -0.405 1
1 298 . 9 1 1 A 27 27 LEU CA C 27 56.235 57.994 -1.759 1
1 299 . 9 1 1 A 27 27 LEU CB C 27 42.080 41.105 0.975 1
1 303 . 9 1 1 A 27 27 LEU N N 27 122.902 120.952 1.950 1
1 304 . 9 1 1 A 28 28 ALA H H 28 8.226 8.612 -0.386 1
1 305 . 9 1 1 A 28 28 ALA HA H 28 4.313 4.110 0.203 1
1 309 . 9 1 1 A 28 28 ALA C C 28 178.768 179.486 -0.718 1
1 310 . 9 1 1 A 28 28 ALA CA C 28 50.751 55.746 -4.995 1
1 311 . 9 1 1 A 28 28 ALA CB C 28 15.973 18.431 -2.458 1
1 312 . 9 1 1 A 28 28 ALA N N 28 123.394 121.434 1.960 1
1 313 . 9 1 1 A 29 29 LYS H H 29 8.105 8.406 -0.301 1
1 314 . 9 1 1 A 29 29 LYS HA H 29 4.273 3.935 0.338 1
1 321 . 9 1 1 A 29 29 LYS C C 29 177.235 178.454 -1.219 1
1 322 . 9 1 1 A 29 29 LYS CA C 29 56.975 59.680 -2.705 1
1 323 . 9 1 1 A 29 29 LYS CB C 29 32.809 32.547 0.262 1
1 327 . 9 1 1 A 29 29 LYS N N 29 119.798 118.231 1.567 1
1 328 . 9 1 1 A 30 30 ALA H H 30 8.256 8.396 -0.140 1
1 329 . 9 1 1 A 30 30 ALA HA H 30 4.333 4.066 0.267 1
1 333 . 9 1 1 A 30 30 ALA C C 30 178.374 179.983 -1.609 1
1 334 . 9 1 1 A 30 30 ALA CA C 30 53.121 55.337 -2.216 1
1 335 . 9 1 1 A 30 30 ALA CB C 30 18.978 18.671 0.307 1
1 336 . 9 1 1 A 30 30 ALA N N 30 124.377 121.147 3.230 1
1 337 . 9 1 1 A 31 31 SER H H 31 8.404 8.385 0.019 1
1 338 . 9 1 1 A 31 31 SER HA H 31 4.484 4.074 0.410 1
1 341 . 9 1 1 A 31 31 SER C C 31 175.050 177.096 -2.046 1
1 342 . 9 1 1 A 31 31 SER CA C 31 58.756 61.407 -2.651 1
1 343 . 9 1 1 A 31 31 SER CB C 31 63.797 62.985 0.812 1
1 344 . 9 1 1 A 31 31 SER N N 31 114.933 112.795 2.138 1
1 345 . 9 1 1 A 32 32 ALA H H 32 8.419 7.916 0.503 1
1 346 . 9 1 1 A 32 32 ALA HA H 32 4.414 4.122 0.292 1
1 350 . 9 1 1 A 32 32 ALA C C 32 178.933 179.770 -0.837 1
1 351 . 9 1 1 A 32 32 ALA CA C 32 53.555 55.217 -1.662 1
1 352 . 9 1 1 A 32 32 ALA CB C 32 18.785 18.642 0.143 1
1 353 . 9 1 1 A 32 32 ALA N N 32 125.821 123.414 2.407 1
1 354 . 9 1 1 A 33 33 THR H H 33 8.216 8.087 0.129 1
1 355 . 9 1 1 A 33 33 THR HA H 33 4.364 3.958 0.406 1
1 358 . 9 1 1 A 33 33 THR C C 33 175.345 176.128 -0.783 1
1 359 . 9 1 1 A 33 33 THR CA C 33 63.424 65.519 -2.095 1
1 360 . 9 1 1 A 33 33 THR CB C 33 69.432 68.904 0.528 1
1 361 . 9 1 1 A 33 33 THR N N 33 112.980 112.541 0.439 1
1 362 . 9 1 1 A 34 34 ASP H H 34 8.332 8.427 -0.095 1
1 363 . 9 1 1 A 34 34 ASP HA H 34 4.560 4.300 0.260 1
1 366 . 9 1 1 A 34 34 ASP C C 34 177.331 178.500 -1.169 1
1 367 . 9 1 1 A 34 34 ASP CA C 34 55.611 57.358 -1.747 1
1 368 . 9 1 1 A 34 34 ASP CB C 34 40.819 41.201 -0.382 1
1 369 . 9 1 1 A 34 34 ASP N N 34 122.777 121.511 1.266 1
1 370 . 9 1 1 A 35 35 GLN H H 35 8.376 8.279 0.097 1
1 371 . 9 1 1 A 35 35 GLN HA H 35 4.225 3.944 0.281 1
1 376 . 9 1 1 A 35 35 GLN C C 35 177.216 178.315 -1.099 1
1 377 . 9 1 1 A 35 35 GLN CA C 35 57.159 59.017 -1.858 1
1 378 . 9 1 1 A 35 35 GLN CB C 35 28.840 28.059 0.781 1
1 380 . 9 1 1 A 35 35 GLN N N 35 120.161 118.567 1.594 1
1 381 . 9 1 1 A 36 36 LEU H H 36 8.152 8.173 -0.021 1
1 382 . 9 1 1 A 36 36 LEU HA H 36 4.325 3.998 0.327 1
1 391 . 9 1 1 A 36 36 LEU C C 36 178.245 178.536 -0.291 1
1 392 . 9 1 1 A 36 36 LEU CA C 36 56.382 58.253 -1.871 1
1 393 . 9 1 1 A 36 36 LEU CB C 36 41.952 41.858 0.094 1
1 397 . 9 1 1 A 36 36 LEU N N 36 121.719 121.599 0.120 1
1 398 . 9 1 1 A 37 37 LYS H H 37 8.140 8.326 -0.186 1
1 399 . 9 1 1 A 37 37 LYS HA H 37 4.245 3.892 0.353 1
1 408 . 9 1 1 A 37 37 LYS C C 37 177.582 178.431 -0.849 1
1 409 . 9 1 1 A 37 37 LYS CA C 37 57.518 59.683 -2.165 1
1 410 . 9 1 1 A 37 37 LYS CB C 37 32.662 32.219 0.443 1
1 414 . 9 1 1 A 37 37 LYS N N 37 121.035 118.934 2.101 1
1 415 . 9 1 1 A 38 38 LYS H H 38 8.200 8.320 -0.120 1
1 416 . 9 1 1 A 38 38 LYS HA H 38 4.259 4.041 0.218 1
1 425 . 9 1 1 A 38 38 LYS C C 38 177.094 178.957 -1.863 1
1 426 . 9 1 1 A 38 38 LYS CA C 38 57.200 59.668 -2.468 1
1 427 . 9 1 1 A 38 38 LYS CB C 38 32.881 32.469 0.412 1
1 431 . 9 1 1 A 38 38 LYS N N 38 121.951 119.255 2.696 1
1 432 . 9 1 1 A 39 39 ALA H H 39 8.310 8.390 -0.080 1
1 433 . 9 1 1 A 39 39 ALA HA H 39 4.297 4.067 0.230 1
1 437 . 9 1 1 A 39 39 ALA C C 39 178.705 179.670 -0.965 1
1 438 . 9 1 1 A 39 39 ALA CA C 39 53.083 55.088 -2.005 1
1 439 . 9 1 1 A 39 39 ALA CB C 39 18.859 18.298 0.561 1
1 440 . 9 1 1 A 39 39 ALA N N 39 124.850 121.899 2.951 1
1 441 . 9 1 1 A 40 40 LYS H H 40 8.322 8.189 0.133 1
1 442 . 9 1 1 A 40 40 LYS HA H 40 4.257 3.976 0.281 1
1 451 . 9 1 1 A 40 40 LYS C C 40 176.957 178.930 -1.973 1
1 452 . 9 1 1 A 40 40 LYS CA C 40 57.048 59.522 -2.474 1
1 453 . 9 1 1 A 40 40 LYS CB C 40 32.890 32.305 0.585 1
1 457 . 9 1 1 A 40 40 LYS N N 40 120.538 117.207 3.331 1
1 458 . 9 1 1 A 41 41 ALA H H 41 8.292 8.268 0.024 1
1 459 . 9 1 1 A 41 41 ALA HA H 41 4.328 3.981 0.347 1
1 463 . 9 1 1 A 41 41 ALA C C 41 178.535 179.881 -1.346 1
1 464 . 9 1 1 A 41 41 ALA CA C 41 53.106 54.882 -1.776 1
1 465 . 9 1 1 A 41 41 ALA CB C 41 18.889 18.407 0.482 1
1 466 . 9 1 1 A 41 41 ALA N N 41 124.385 121.534 2.851 1
1 467 . 9 1 1 A 42 42 GLU H H 42 8.441 8.138 0.303 1
1 468 . 9 1 1 A 42 42 GLU HA H 42 4.275 4.036 0.239 1
1 473 . 9 1 1 A 42 42 GLU C C 42 176.846 178.264 -1.418 1
1 474 . 9 1 1 A 42 42 GLU CA C 42 57.031 59.198 -2.167 1
1 475 . 9 1 1 A 42 42 GLU CB C 42 30.151 29.306 0.845 1
1 477 . 9 1 1 A 42 42 GLU N N 42 120.022 118.846 1.176 1
1 478 . 9 1 1 A 43 43 ALA H H 43 8.276 8.126 0.150 1
1 479 . 9 1 1 A 43 43 ALA HA H 43 4.306 4.056 0.250 1
1 483 . 9 1 1 A 43 43 ALA C C 43 178.055 177.840 0.215 1
1 484 . 9 1 1 A 43 43 ALA CA C 43 52.974 54.315 -1.341 1
1 485 . 9 1 1 A 43 43 ALA CB C 43 18.903 18.683 0.220 1
1 486 . 9 1 1 A 43 43 ALA N N 43 124.119 121.575 2.544 1
1 487 . 9 1 1 A 44 44 GLN H H 44 8.312 7.267 1.045 1
1 488 . 9 1 1 A 44 44 GLN HA H 44 4.310 4.538 -0.228 1
1 493 . 9 1 1 A 44 44 GLN C C 44 176.174 174.943 1.231 1
1 494 . 9 1 1 A 44 44 GLN CA C 44 56.154 57.234 -1.080 1
1 495 . 9 1 1 A 44 44 GLN CB C 44 29.285 31.081 -1.796 1
1 497 . 9 1 1 A 44 44 GLN N N 44 119.573 114.378 5.195 1
1 498 . 9 1 1 A 45 45 VAL H H 45 8.206 7.921 0.285 1
1 499 . 9 1 1 A 45 45 VAL HA H 45 4.360 4.746 -0.386 1
1 504 . 9 1 1 A 45 45 VAL C C 45 176.263 174.959 1.304 1
1 505 . 9 1 1 A 45 45 VAL CA C 45 63.120 59.099 4.021 1
1 506 . 9 1 1 A 45 45 VAL CB C 45 32.386 35.929 -3.543 1
1 509 . 9 1 1 A 45 45 VAL N N 45 122.385 114.877 7.508 1
1 510 . 9 1 1 A 46 46 ILE H H 46 8.045 8.362 -0.317 1
1 511 . 9 1 1 A 46 46 ILE HA H 46 4.138 4.187 -0.049 1
1 518 . 9 1 1 A 46 46 ILE C C 46 176.573 176.930 -0.357 1
1 519 . 9 1 1 A 46 46 ILE CA C 46 61.413 60.963 0.450 1
1 520 . 9 1 1 A 46 46 ILE CB C 46 38.356 39.723 -1.367 1
1 524 . 9 1 1 A 46 46 ILE N N 46 125.491 117.273 8.218 1
1 525 . 9 1 1 A 47 47 ILE H H 47 8.332 8.952 -0.620 1
1 526 . 9 1 1 A 47 47 ILE HA H 47 4.177 4.102 0.075 1
1 533 . 9 1 1 A 47 47 ILE C C 47 176.554 175.751 0.803 1
1 534 . 9 1 1 A 47 47 ILE CA C 47 61.374 63.437 -2.063 1
1 535 . 9 1 1 A 47 47 ILE CB C 47 38.377 38.155 0.222 1
1 539 . 9 1 1 A 47 47 ILE N N 47 126.147 122.692 3.455 1
1 540 . 9 1 1 A 48 48 GLU H H 48 8.587 7.602 0.985 1
1 541 . 9 1 1 A 48 48 GLU HA H 48 4.141 4.621 -0.480 1
1 544 . 9 1 1 A 48 48 GLU C C 48 176.290 173.976 2.314 1
1 545 . 9 1 1 A 48 48 GLU CA C 48 56.867 56.074 0.793 1
1 546 . 9 1 1 A 48 48 GLU CB C 48 30.160 33.414 -3.254 1
1 548 . 9 1 1 A 48 48 GLU N N 48 125.278 116.562 8.716 1
1 549 . 9 1 1 A 49 49 GLN H H 49 8.521 8.560 -0.039 1
1 550 . 9 1 1 A 49 49 GLN HA H 49 4.313 4.784 -0.471 1
1 555 . 9 1 1 A 49 49 GLN C C 49 175.798 176.263 -0.465 1
1 556 . 9 1 1 A 49 49 GLN CA C 49 55.936 55.183 0.753 1
1 557 . 9 1 1 A 49 49 GLN CB C 49 29.328 29.515 -0.187 1
1 559 . 9 1 1 A 49 49 GLN N N 49 125.675 123.215 2.460 1
1 560 . 9 1 1 A 50 50 ALA H H 50 8.414 8.397 0.017 1
1 561 . 9 1 1 A 50 50 ALA HA H 50 4.356 4.738 -0.382 1
1 565 . 9 1 1 A 50 50 ALA C C 50 177.553 177.848 -0.295 1
1 566 . 9 1 1 A 50 50 ALA CA C 50 52.833 50.839 1.994 1
1 567 . 9 1 1 A 50 50 ALA CB C 50 19.162 19.685 -0.523 1
1 568 . 9 1 1 A 50 50 ALA N N 50 124.988 128.767 -3.779 1
1 569 . 9 1 1 A 51 51 ASN H H 51 8.467 8.187 0.280 1
1 570 . 9 1 1 A 51 51 ASN HA H 51 4.738 4.947 -0.209 1
1 573 . 9 1 1 A 51 51 ASN C C 51 174.232 174.692 -0.460 1
1 574 . 9 1 1 A 51 51 ASN CA C 51 53.358 53.208 0.150 1
1 575 . 9 1 1 A 51 51 ASN CB C 51 38.847 39.931 -1.084 1
1 576 . 9 1 1 A 51 51 ASN N N 51 118.053 114.928 3.125 1
1 577 . 9 1 1 A 52 52 LYS H H 52 7.943 7.664 0.279 1
1 578 . 9 1 1 A 52 52 LYS HA H 52 4.195 4.797 -0.602 1
1 583 . 9 1 1 A 52 52 LYS CA C 52 57.852 54.502 3.350 1
1 584 . 9 1 1 A 52 52 LYS CB C 52 33.585 35.608 -2.023 1
1 11 . 10 1 1 A 2 2 ALA H H 2 8.426 8.621 -0.195 1
1 12 . 10 1 1 A 2 2 ALA HA H 2 4.303 4.480 -0.177 1
1 16 . 10 1 1 A 2 2 ALA C C 2 178.047 176.088 1.959 1
1 17 . 10 1 1 A 2 2 ALA CA C 2 52.957 53.576 -0.619 1
1 18 . 10 1 1 A 2 2 ALA CB C 2 19.097 20.907 -1.810 1
1 19 . 10 1 1 A 2 2 ALA N N 2 125.346 125.510 -0.164 1
1 20 . 10 1 1 A 3 3 ALA H H 3 8.424 7.952 0.472 1
1 21 . 10 1 1 A 3 3 ALA HA H 3 4.272 4.814 -0.542 1
1 25 . 10 1 1 A 3 3 ALA C C 3 178.831 176.339 2.492 1
1 26 . 10 1 1 A 3 3 ALA CA C 3 53.277 51.029 2.248 1
1 27 . 10 1 1 A 3 3 ALA CB C 3 18.815 21.407 -2.592 1
1 28 . 10 1 1 A 3 3 ALA N N 3 123.135 119.440 3.695 1
1 29 . 10 1 1 A 4 4 ILE H H 4 8.153 8.956 -0.803 1
1 30 . 10 1 1 A 4 4 ILE HA H 4 4.057 4.301 -0.244 1
1 37 . 10 1 1 A 4 4 ILE C C 4 174.367 175.580 -1.213 1
1 38 . 10 1 1 A 4 4 ILE CA C 4 59.667 62.409 -2.742 1
1 39 . 10 1 1 A 4 4 ILE CB C 4 35.772 39.499 -3.727 1
1 43 . 10 1 1 A 4 4 ILE N N 4 120.052 123.726 -3.674 1
1 44 . 10 1 1 A 5 5 GLU H H 5 8.389 7.725 0.664 1
1 45 . 10 1 1 A 5 5 GLU HA H 5 4.242 4.794 -0.552 1
1 50 . 10 1 1 A 5 5 GLU C C 5 177.454 175.215 2.239 1
1 51 . 10 1 1 A 5 5 GLU CA C 5 57.595 55.108 2.487 1
1 52 . 10 1 1 A 5 5 GLU CB C 5 29.925 32.421 -2.496 1
1 54 . 10 1 1 A 5 5 GLU N N 5 123.850 119.122 4.728 1
1 55 . 10 1 1 A 6 6 LYS H H 6 8.359 8.867 -0.508 1
1 56 . 10 1 1 A 6 6 LYS HA H 6 4.232 4.736 -0.504 1
1 65 . 10 1 1 A 6 6 LYS C C 6 178.454 175.300 3.154 1
1 66 . 10 1 1 A 6 6 LYS CA C 6 57.701 55.314 2.387 1
1 67 . 10 1 1 A 6 6 LYS CB C 6 32.786 33.322 -0.536 1
1 71 . 10 1 1 A 6 6 LYS N N 6 122.313 125.002 -2.689 1
1 72 . 10 1 1 A 7 7 ARG H H 7 8.286 8.768 -0.482 1
1 73 . 10 1 1 A 7 7 ARG HA H 7 4.302 4.799 -0.497 1
1 78 . 10 1 1 A 7 7 ARG C C 7 177.255 175.090 2.165 1
1 79 . 10 1 1 A 7 7 ARG CA C 7 57.082 55.004 2.078 1
1 80 . 10 1 1 A 7 7 ARG CB C 7 30.301 31.090 -0.789 1
1 83 . 10 1 1 A 7 7 ARG N N 7 121.287 122.907 -1.620 1
1 84 . 10 1 1 A 8 8 GLN H H 8 8.441 8.489 -0.048 1
1 85 . 10 1 1 A 8 8 GLN CA C 8 57.140 55.838 1.302 1
1 86 . 10 1 1 A 8 8 GLN CB C 8 30.176 29.498 0.678 1
1 87 . 10 1 1 A 8 8 GLN N N 8 120.311 124.091 -3.780 1
1 88 . 10 1 1 A 9 9 LYS HA H 9 4.232 4.263 -0.031 1
1 97 . 10 1 1 A 9 9 LYS CA C 9 57.820 56.699 1.121 1
1 98 . 10 1 1 A 9 9 LYS CB C 9 32.862 32.285 0.577 1
1 102 . 10 1 1 A 10 10 GLU H H 10 8.354 9.038 -0.684 1
1 103 . 10 1 1 A 10 10 GLU HA H 10 4.245 3.896 0.349 1
1 109 . 10 1 1 A 10 10 GLU C C 10 178.220 178.534 -0.314 1
1 110 . 10 1 1 A 10 10 GLU CA C 10 57.837 59.265 -1.428 1
1 111 . 10 1 1 A 10 10 GLU CB C 10 29.839 29.413 0.426 1
1 113 . 10 1 1 A 10 10 GLU N N 10 121.036 126.323 -5.287 1
1 114 . 10 1 1 A 11 11 ILE H H 11 8.257 8.021 0.236 1
1 115 . 10 1 1 A 11 11 ILE HA H 11 4.025 3.587 0.438 1
1 122 . 10 1 1 A 11 11 ILE C C 11 177.395 177.797 -0.402 1
1 123 . 10 1 1 A 11 11 ILE CA C 11 62.538 65.884 -3.346 1
1 124 . 10 1 1 A 11 11 ILE CB C 11 38.434 37.696 0.738 1
1 128 . 10 1 1 A 11 11 ILE N N 11 121.653 120.632 1.021 1
1 129 . 10 1 1 A 12 12 ALA H H 12 8.371 8.355 0.016 1
1 130 . 10 1 1 A 12 12 ALA HA H 12 4.260 3.940 0.320 1
1 134 . 10 1 1 A 12 12 ALA C C 12 178.875 178.584 0.291 1
1 135 . 10 1 1 A 12 12 ALA CA C 12 53.762 55.822 -2.060 1
1 136 . 10 1 1 A 12 12 ALA CB C 12 18.717 18.225 0.492 1
1 137 . 10 1 1 A 12 12 ALA N N 12 126.518 121.824 4.694 1
1 138 . 10 1 1 A 13 13 ASP H H 13 8.608 7.953 0.655 1
1 139 . 10 1 1 A 13 13 ASP HA H 13 4.546 4.321 0.225 1
1 142 . 10 1 1 A 13 13 ASP C C 13 177.863 179.108 -1.245 1
1 143 . 10 1 1 A 13 13 ASP CA C 13 55.465 57.148 -1.683 1
1 144 . 10 1 1 A 13 13 ASP CB C 13 40.730 41.319 -0.589 1
1 145 . 10 1 1 A 13 13 ASP N N 13 119.841 118.862 0.979 1
1 146 . 10 1 1 A 14 14 GLY H H 14 8.293 8.464 -0.171 1
1 147 . 10 1 1 A 14 14 GLY HA2 H 14 3.998 3.674 0.324 1
1 148 . 10 1 1 A 14 14 GLY HA3 H 14 3.998 3.676 0.322 1
1 149 . 10 1 1 A 14 14 GLY C C 14 172.618 175.859 -3.241 1
1 150 . 10 1 1 A 14 14 GLY CA C 14 43.412 47.320 -3.908 1
1 151 . 10 1 1 A 14 14 GLY N N 14 109.075 107.543 1.532 1
1 152 . 10 1 1 A 15 15 LEU H H 15 8.119 8.290 -0.171 1
1 153 . 10 1 1 A 15 15 LEU HA H 15 4.290 4.028 0.262 1
1 163 . 10 1 1 A 15 15 LEU C C 15 178.215 178.875 -0.660 1
1 164 . 10 1 1 A 15 15 LEU CA C 15 56.113 57.727 -1.614 1
1 165 . 10 1 1 A 15 15 LEU CB C 15 42.109 42.060 0.049 1
1 169 . 10 1 1 A 15 15 LEU N N 15 122.115 123.258 -1.143 1
1 170 . 10 1 1 A 16 16 ALA H H 16 8.293 8.526 -0.233 1
1 171 . 10 1 1 A 16 16 ALA HA H 16 4.315 4.013 0.302 1
1 175 . 10 1 1 A 16 16 ALA C C 16 178.847 179.679 -0.832 1
1 176 . 10 1 1 A 16 16 ALA CA C 16 53.230 55.180 -1.950 1
1 177 . 10 1 1 A 16 16 ALA CB C 16 18.769 17.792 0.977 1
1 178 . 10 1 1 A 16 16 ALA N N 16 123.673 120.847 2.826 1
1 179 . 10 1 1 A 17 17 SER H H 17 8.294 8.141 0.153 1
1 180 . 10 1 1 A 17 17 SER HA H 17 4.405 4.049 0.356 1
1 183 . 10 1 1 A 17 17 SER C C 17 175.446 176.925 -1.479 1
1 184 . 10 1 1 A 17 17 SER CA C 17 59.398 61.453 -2.055 1
1 185 . 10 1 1 A 17 17 SER CB C 17 63.460 62.957 0.503 1
1 186 . 10 1 1 A 17 17 SER N N 17 114.615 113.261 1.354 1
1 187 . 10 1 1 A 18 18 ALA H H 18 8.308 7.940 0.368 1
1 188 . 10 1 1 A 18 18 ALA HA H 18 4.325 4.117 0.208 1
1 192 . 10 1 1 A 18 18 ALA C C 18 178.476 179.558 -1.082 1
1 193 . 10 1 1 A 18 18 ALA CA C 18 53.528 54.828 -1.300 1
1 194 . 10 1 1 A 18 18 ALA CB C 18 18.753 18.348 0.405 1
1 195 . 10 1 1 A 18 18 ALA N N 18 125.710 122.655 3.055 1
1 196 . 10 1 1 A 19 19 GLU H H 19 8.290 8.273 0.017 1
1 197 . 10 1 1 A 19 19 GLU HA H 19 4.237 4.057 0.180 1
1 202 . 10 1 1 A 19 19 GLU C C 19 177.358 178.957 -1.599 1
1 203 . 10 1 1 A 19 19 GLU CA C 19 57.447 59.674 -2.227 1
1 204 . 10 1 1 A 19 19 GLU CB C 19 29.866 29.051 0.815 1
1 206 . 10 1 1 A 19 19 GLU N N 19 119.387 119.254 0.133 1
1 207 . 10 1 1 A 20 20 ARG H H 20 8.214 8.111 0.103 1
1 208 . 10 1 1 A 20 20 ARG HA H 20 4.244 4.060 0.184 1
1 215 . 10 1 1 A 20 20 ARG C C 20 176.546 178.710 -2.164 1
1 216 . 10 1 1 A 20 20 ARG CA C 20 56.895 58.953 -2.058 1
1 217 . 10 1 1 A 20 20 ARG CB C 20 30.596 30.272 0.324 1
1 220 . 10 1 1 A 20 20 ARG N N 20 121.283 118.840 2.443 1
1 221 . 10 1 1 A 21 21 ALA H H 21 8.247 7.326 0.921 1
1 222 . 10 1 1 A 21 21 ALA HA H 21 4.279 4.153 0.126 1
1 226 . 10 1 1 A 21 21 ALA C C 21 178.212 179.609 -1.397 1
1 227 . 10 1 1 A 21 21 ALA CA C 21 53.059 55.070 -2.011 1
1 228 . 10 1 1 A 21 21 ALA CB C 21 18.827 18.583 0.244 1
1 229 . 10 1 1 A 21 21 ALA N N 21 123.697 122.073 1.624 1
1 230 . 10 1 1 A 22 22 HIS H H 22 8.352 8.052 0.300 1
1 231 . 10 1 1 A 22 22 HIS HA H 22 4.212 4.261 -0.049 1
1 234 . 10 1 1 A 22 22 HIS C C 22 177.321 176.772 0.549 1
1 235 . 10 1 1 A 22 22 HIS CA C 22 56.652 59.620 -2.968 1
1 236 . 10 1 1 A 22 22 HIS CB C 22 29.845 29.574 0.271 1
1 237 . 10 1 1 A 22 22 HIS N N 22 118.280 118.051 0.229 1
1 238 . 10 1 1 A 23 23 LYS H H 23 8.336 8.400 -0.064 1
1 239 . 10 1 1 A 23 23 LYS HA H 23 4.294 3.775 0.519 1
1 248 . 10 1 1 A 23 23 LYS C C 23 176.700 178.329 -1.629 1
1 249 . 10 1 1 A 23 23 LYS CA C 23 57.000 60.005 -3.005 1
1 250 . 10 1 1 A 23 23 LYS CB C 23 32.797 32.424 0.373 1
1 254 . 10 1 1 A 23 23 LYS N N 23 122.370 118.765 3.605 1
1 255 . 10 1 1 A 24 24 ASP H H 24 8.537 8.257 0.280 1
1 256 . 10 1 1 A 24 24 ASP HA H 24 4.581 4.346 0.235 1
1 259 . 10 1 1 A 24 24 ASP C C 24 176.941 179.019 -2.078 1
1 260 . 10 1 1 A 24 24 ASP CA C 24 55.069 57.105 -2.036 1
1 261 . 10 1 1 A 24 24 ASP CB C 24 40.789 41.031 -0.242 1
1 262 . 10 1 1 A 24 24 ASP N N 24 121.152 119.843 1.309 1
1 263 . 10 1 1 A 25 25 LEU H H 25 8.215 8.487 -0.272 1
1 264 . 10 1 1 A 25 25 LEU HA H 25 4.290 3.973 0.317 1
1 273 . 10 1 1 A 25 25 LEU CA C 25 56.176 57.987 -1.811 1
1 274 . 10 1 1 A 25 25 LEU CB C 25 42.175 41.405 0.770 1
1 278 . 10 1 1 A 25 25 LEU N N 25 122.648 119.657 2.991 1
1 279 . 10 1 1 A 26 26 ASP H H 26 8.363 8.488 -0.125 1
1 280 . 10 1 1 A 26 26 ASP HA H 26 4.577 4.227 0.350 1
1 283 . 10 1 1 A 26 26 ASP C C 26 177.284 178.595 -1.311 1
1 284 . 10 1 1 A 26 26 ASP CA C 26 54.971 57.522 -2.551 1
1 285 . 10 1 1 A 26 26 ASP CB C 26 40.708 41.496 -0.788 1
1 286 . 10 1 1 A 26 26 ASP N N 26 121.040 119.180 1.860 1
1 287 . 10 1 1 A 27 27 LEU H H 27 8.228 8.309 -0.081 1
1 288 . 10 1 1 A 27 27 LEU HA H 27 4.309 4.003 0.306 1
1 297 . 10 1 1 A 27 27 LEU C C 27 178.228 179.199 -0.971 1
1 298 . 10 1 1 A 27 27 LEU CA C 27 56.235 57.999 -1.764 1
1 299 . 10 1 1 A 27 27 LEU CB C 27 42.080 41.457 0.623 1
1 303 . 10 1 1 A 27 27 LEU N N 27 122.902 119.624 3.278 1
1 304 . 10 1 1 A 28 28 ALA H H 28 8.226 8.357 -0.131 1
1 305 . 10 1 1 A 28 28 ALA HA H 28 4.313 4.036 0.277 1
1 309 . 10 1 1 A 28 28 ALA C C 28 178.768 179.942 -1.174 1
1 310 . 10 1 1 A 28 28 ALA CA C 28 50.751 55.591 -4.840 1
1 311 . 10 1 1 A 28 28 ALA CB C 28 15.973 18.365 -2.392 1
1 312 . 10 1 1 A 28 28 ALA N N 28 123.394 121.656 1.738 1
1 313 . 10 1 1 A 29 29 LYS H H 29 8.105 8.151 -0.046 1
1 314 . 10 1 1 A 29 29 LYS HA H 29 4.273 3.968 0.305 1
1 321 . 10 1 1 A 29 29 LYS C C 29 177.235 178.661 -1.426 1
1 322 . 10 1 1 A 29 29 LYS CA C 29 56.975 59.516 -2.541 1
1 323 . 10 1 1 A 29 29 LYS CB C 29 32.809 32.205 0.604 1
1 327 . 10 1 1 A 29 29 LYS N N 29 119.798 117.675 2.123 1
1 328 . 10 1 1 A 30 30 ALA H H 30 8.256 8.146 0.110 1
1 329 . 10 1 1 A 30 30 ALA HA H 30 4.333 4.123 0.210 1
1 333 . 10 1 1 A 30 30 ALA C C 30 178.374 179.670 -1.296 1
1 334 . 10 1 1 A 30 30 ALA CA C 30 53.121 55.228 -2.107 1
1 335 . 10 1 1 A 30 30 ALA CB C 30 18.978 18.562 0.416 1
1 336 . 10 1 1 A 30 30 ALA N N 30 124.377 122.552 1.825 1
1 337 . 10 1 1 A 31 31 SER H H 31 8.404 8.346 0.058 1
1 338 . 10 1 1 A 31 31 SER HA H 31 4.484 4.063 0.421 1
1 341 . 10 1 1 A 31 31 SER C C 31 175.050 177.142 -2.092 1
1 342 . 10 1 1 A 31 31 SER CA C 31 58.756 61.344 -2.588 1
1 343 . 10 1 1 A 31 31 SER CB C 31 63.797 62.998 0.799 1
1 344 . 10 1 1 A 31 31 SER N N 31 114.933 112.795 2.138 1
1 345 . 10 1 1 A 32 32 ALA H H 32 8.419 7.821 0.598 1
1 346 . 10 1 1 A 32 32 ALA HA H 32 4.414 4.141 0.273 1
1 350 . 10 1 1 A 32 32 ALA C C 32 178.933 179.924 -0.991 1
1 351 . 10 1 1 A 32 32 ALA CA C 32 53.555 55.089 -1.534 1
1 352 . 10 1 1 A 32 32 ALA CB C 32 18.785 18.503 0.282 1
1 353 . 10 1 1 A 32 32 ALA N N 32 125.821 123.353 2.468 1
1 354 . 10 1 1 A 33 33 THR H H 33 8.216 8.313 -0.097 1
1 355 . 10 1 1 A 33 33 THR HA H 33 4.364 4.022 0.342 1
1 358 . 10 1 1 A 33 33 THR C C 33 175.345 176.809 -1.464 1
1 359 . 10 1 1 A 33 33 THR CA C 33 63.424 65.490 -2.066 1
1 360 . 10 1 1 A 33 33 THR CB C 33 69.432 68.148 1.284 1
1 361 . 10 1 1 A 33 33 THR N N 33 112.980 111.274 1.706 1
1 362 . 10 1 1 A 34 34 ASP H H 34 8.332 8.573 -0.241 1
1 363 . 10 1 1 A 34 34 ASP HA H 34 4.560 4.315 0.245 1
1 366 . 10 1 1 A 34 34 ASP C C 34 177.331 178.504 -1.173 1
1 367 . 10 1 1 A 34 34 ASP CA C 34 55.611 57.365 -1.754 1
1 368 . 10 1 1 A 34 34 ASP CB C 34 40.819 40.584 0.235 1
1 369 . 10 1 1 A 34 34 ASP N N 34 122.777 123.278 -0.501 1
1 370 . 10 1 1 A 35 35 GLN H H 35 8.376 7.941 0.435 1
1 371 . 10 1 1 A 35 35 GLN HA H 35 4.225 3.991 0.234 1
1 376 . 10 1 1 A 35 35 GLN C C 35 177.216 177.943 -0.727 1
1 377 . 10 1 1 A 35 35 GLN CA C 35 57.159 58.793 -1.634 1
1 378 . 10 1 1 A 35 35 GLN CB C 35 28.840 28.151 0.689 1
1 380 . 10 1 1 A 35 35 GLN N N 35 120.161 119.352 0.809 1
1 381 . 10 1 1 A 36 36 LEU H H 36 8.152 8.138 0.014 1
1 382 . 10 1 1 A 36 36 LEU HA H 36 4.325 4.001 0.324 1
1 391 . 10 1 1 A 36 36 LEU C C 36 178.245 178.574 -0.329 1
1 392 . 10 1 1 A 36 36 LEU CA C 36 56.382 58.176 -1.794 1
1 393 . 10 1 1 A 36 36 LEU CB C 36 41.952 41.820 0.132 1
1 397 . 10 1 1 A 36 36 LEU N N 36 121.719 121.009 0.710 1
1 398 . 10 1 1 A 37 37 LYS H H 37 8.140 8.263 -0.123 1
1 399 . 10 1 1 A 37 37 LYS HA H 37 4.245 3.854 0.391 1
1 408 . 10 1 1 A 37 37 LYS C C 37 177.582 179.043 -1.461 1
1 409 . 10 1 1 A 37 37 LYS CA C 37 57.518 60.014 -2.496 1
1 410 . 10 1 1 A 37 37 LYS CB C 37 32.662 32.084 0.578 1
1 414 . 10 1 1 A 37 37 LYS N N 37 121.035 118.696 2.339 1
1 415 . 10 1 1 A 38 38 LYS H H 38 8.200 8.199 0.001 1
1 416 . 10 1 1 A 38 38 LYS HA H 38 4.259 4.030 0.229 1
1 425 . 10 1 1 A 38 38 LYS C C 38 177.094 179.035 -1.941 1
1 426 . 10 1 1 A 38 38 LYS CA C 38 57.200 59.483 -2.283 1
1 427 . 10 1 1 A 38 38 LYS CB C 38 32.881 32.218 0.663 1
1 431 . 10 1 1 A 38 38 LYS N N 38 121.951 119.576 2.375 1
1 432 . 10 1 1 A 39 39 ALA H H 39 8.310 8.284 0.026 1
1 433 . 10 1 1 A 39 39 ALA HA H 39 4.297 4.138 0.159 1
1 437 . 10 1 1 A 39 39 ALA C C 39 178.705 179.642 -0.937 1
1 438 . 10 1 1 A 39 39 ALA CA C 39 53.083 55.442 -2.359 1
1 439 . 10 1 1 A 39 39 ALA CB C 39 18.859 18.362 0.497 1
1 440 . 10 1 1 A 39 39 ALA N N 39 124.850 122.078 2.772 1
1 441 . 10 1 1 A 40 40 LYS H H 40 8.322 8.063 0.259 1
1 442 . 10 1 1 A 40 40 LYS HA H 40 4.257 4.017 0.240 1
1 451 . 10 1 1 A 40 40 LYS C C 40 176.957 178.977 -2.020 1
1 452 . 10 1 1 A 40 40 LYS CA C 40 57.048 58.932 -1.884 1
1 453 . 10 1 1 A 40 40 LYS CB C 40 32.890 32.372 0.518 1
1 457 . 10 1 1 A 40 40 LYS N N 40 120.538 117.154 3.384 1
1 458 . 10 1 1 A 41 41 ALA H H 41 8.292 8.305 -0.013 1
1 459 . 10 1 1 A 41 41 ALA HA H 41 4.328 4.059 0.269 1
1 463 . 10 1 1 A 41 41 ALA C C 41 178.535 179.452 -0.917 1
1 464 . 10 1 1 A 41 41 ALA CA C 41 53.106 55.226 -2.120 1
1 465 . 10 1 1 A 41 41 ALA CB C 41 18.889 18.291 0.598 1
1 466 . 10 1 1 A 41 41 ALA N N 41 124.385 121.850 2.535 1
1 467 . 10 1 1 A 42 42 GLU H H 42 8.441 8.243 0.198 1
1 468 . 10 1 1 A 42 42 GLU HA H 42 4.275 4.098 0.177 1
1 473 . 10 1 1 A 42 42 GLU C C 42 176.846 178.147 -1.301 1
1 474 . 10 1 1 A 42 42 GLU CA C 42 57.031 59.236 -2.205 1
1 475 . 10 1 1 A 42 42 GLU CB C 42 30.151 29.429 0.722 1
1 477 . 10 1 1 A 42 42 GLU N N 42 120.022 119.002 1.020 1
1 478 . 10 1 1 A 43 43 ALA H H 43 8.276 8.086 0.190 1
1 479 . 10 1 1 A 43 43 ALA HA H 43 4.306 4.437 -0.131 1
1 483 . 10 1 1 A 43 43 ALA C C 43 178.055 178.351 -0.296 1
1 484 . 10 1 1 A 43 43 ALA CA C 43 52.974 51.967 1.007 1
1 485 . 10 1 1 A 43 43 ALA CB C 43 18.903 18.941 -0.038 1
1 486 . 10 1 1 A 43 43 ALA N N 43 124.119 120.330 3.789 1
1 487 . 10 1 1 A 44 44 GLN H H 44 8.312 8.165 0.147 1
1 488 . 10 1 1 A 44 44 GLN HA H 44 4.310 4.086 0.224 1
1 493 . 10 1 1 A 44 44 GLN C C 44 176.174 178.341 -2.167 1
1 494 . 10 1 1 A 44 44 GLN CA C 44 56.154 58.092 -1.938 1
1 495 . 10 1 1 A 44 44 GLN CB C 44 29.285 27.484 1.801 1
1 497 . 10 1 1 A 44 44 GLN N N 44 119.573 118.165 1.408 1
1 498 . 10 1 1 A 45 45 VAL H H 45 8.206 7.983 0.223 1
1 499 . 10 1 1 A 45 45 VAL HA H 45 4.360 3.900 0.460 1
1 504 . 10 1 1 A 45 45 VAL C C 45 176.263 175.509 0.754 1
1 505 . 10 1 1 A 45 45 VAL CA C 45 63.120 64.779 -1.659 1
1 506 . 10 1 1 A 45 45 VAL CB C 45 32.386 31.828 0.558 1
1 509 . 10 1 1 A 45 45 VAL N N 45 122.385 118.554 3.831 1
1 510 . 10 1 1 A 46 46 ILE H H 46 8.045 7.725 0.320 1
1 511 . 10 1 1 A 46 46 ILE HA H 46 4.138 4.660 -0.522 1
1 518 . 10 1 1 A 46 46 ILE C C 46 176.573 174.281 2.292 1
1 519 . 10 1 1 A 46 46 ILE CA C 46 61.413 59.558 1.855 1
1 520 . 10 1 1 A 46 46 ILE CB C 46 38.356 40.843 -2.487 1
1 524 . 10 1 1 A 46 46 ILE N N 46 125.491 120.366 5.125 1
1 525 . 10 1 1 A 47 47 ILE H H 47 8.332 8.591 -0.259 1
1 526 . 10 1 1 A 47 47 ILE HA H 47 4.177 4.268 -0.091 1
1 533 . 10 1 1 A 47 47 ILE C C 47 176.554 175.061 1.493 1
1 534 . 10 1 1 A 47 47 ILE CA C 47 61.374 61.920 -0.546 1
1 535 . 10 1 1 A 47 47 ILE CB C 47 38.377 38.413 -0.036 1
1 539 . 10 1 1 A 47 47 ILE N N 47 126.147 129.032 -2.885 1
1 540 . 10 1 1 A 48 48 GLU H H 48 8.587 8.953 -0.366 1
1 541 . 10 1 1 A 48 48 GLU HA H 48 4.141 5.076 -0.935 1
1 544 . 10 1 1 A 48 48 GLU C C 48 176.290 174.499 1.791 1
1 545 . 10 1 1 A 48 48 GLU CA C 48 56.867 55.011 1.856 1
1 546 . 10 1 1 A 48 48 GLU CB C 48 30.160 32.794 -2.634 1
1 548 . 10 1 1 A 48 48 GLU N N 48 125.278 126.374 -1.096 1
1 549 . 10 1 1 A 49 49 GLN H H 49 8.521 8.637 -0.116 1
1 550 . 10 1 1 A 49 49 GLN HA H 49 4.313 4.849 -0.536 1
1 555 . 10 1 1 A 49 49 GLN C C 49 175.798 175.758 0.040 1
1 556 . 10 1 1 A 49 49 GLN CA C 49 55.936 54.370 1.566 1
1 557 . 10 1 1 A 49 49 GLN CB C 49 29.328 32.239 -2.911 1
1 559 . 10 1 1 A 49 49 GLN N N 49 125.675 123.501 2.174 1
1 560 . 10 1 1 A 50 50 ALA H H 50 8.414 8.400 0.014 1
1 561 . 10 1 1 A 50 50 ALA HA H 50 4.356 4.239 0.117 1
1 565 . 10 1 1 A 50 50 ALA C C 50 177.553 176.967 0.586 1
1 566 . 10 1 1 A 50 50 ALA CA C 50 52.833 51.993 0.840 1
1 567 . 10 1 1 A 50 50 ALA CB C 50 19.162 19.823 -0.661 1
1 568 . 10 1 1 A 50 50 ALA N N 50 124.988 124.738 0.250 1
1 569 . 10 1 1 A 51 51 ASN H H 51 8.467 8.789 -0.322 1
1 570 . 10 1 1 A 51 51 ASN HA H 51 4.738 5.566 -0.828 1
1 573 . 10 1 1 A 51 51 ASN C C 51 174.232 174.007 0.225 1
1 574 . 10 1 1 A 51 51 ASN CA C 51 53.358 51.476 1.882 1
1 575 . 10 1 1 A 51 51 ASN CB C 51 38.847 41.814 -2.967 1
1 576 . 10 1 1 A 51 51 ASN N N 51 118.053 113.169 4.884 1
1 577 . 10 1 1 A 52 52 LYS H H 52 7.943 8.642 -0.699 1
1 578 . 10 1 1 A 52 52 LYS HA H 52 4.195 4.874 -0.679 1
1 583 . 10 1 1 A 52 52 LYS CA C 52 57.852 54.448 3.404 1
1 584 . 10 1 1 A 52 52 LYS CB C 52 33.585 36.136 -2.551 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 47 1.670 1
2 1 1 1 "RMS(OBS, PRED)" CA 51 2.228 1
3 1 1 1 "RMS(OBS, PRED)" CB 50 1.192 1
4 1 1 1 "RMS(OBS, PRED)" H 50 0.385 1
5 1 1 1 "RMS(OBS, PRED)" HA 51 0.322 1
6 1 1 1 "RMS(OBS, PRED)" N 49 3.000 1
7 1 2 1 "RMS(OBS, PRED)" C 47 1.532 1
8 1 2 1 "RMS(OBS, PRED)" CA 51 2.231 1
9 1 2 1 "RMS(OBS, PRED)" CB 50 1.343 1
10 1 2 1 "RMS(OBS, PRED)" H 50 0.344 1
11 1 2 1 "RMS(OBS, PRED)" HA 51 0.369 1
12 1 2 1 "RMS(OBS, PRED)" N 49 2.595 1
13 1 3 1 "RMS(OBS, PRED)" C 47 1.427 1
14 1 3 1 "RMS(OBS, PRED)" CA 51 2.232 1
15 1 3 1 "RMS(OBS, PRED)" CB 50 0.991 1
16 1 3 1 "RMS(OBS, PRED)" H 50 0.334 1
17 1 3 1 "RMS(OBS, PRED)" HA 51 0.297 1
18 1 3 1 "RMS(OBS, PRED)" N 49 2.855 1
19 1 4 1 "RMS(OBS, PRED)" C 47 1.415 1
20 1 4 1 "RMS(OBS, PRED)" CA 51 2.483 1
21 1 4 1 "RMS(OBS, PRED)" CB 50 1.287 1
22 1 4 1 "RMS(OBS, PRED)" H 50 0.378 1
23 1 4 1 "RMS(OBS, PRED)" HA 51 0.367 1
24 1 4 1 "RMS(OBS, PRED)" N 49 3.088 1
25 1 5 1 "RMS(OBS, PRED)" C 47 1.473 1
26 1 5 1 "RMS(OBS, PRED)" CA 51 2.287 1
27 1 5 1 "RMS(OBS, PRED)" CB 50 1.403 1
28 1 5 1 "RMS(OBS, PRED)" H 50 0.395 1
29 1 5 1 "RMS(OBS, PRED)" HA 51 0.378 1
30 1 5 1 "RMS(OBS, PRED)" N 49 2.847 1
31 1 6 1 "RMS(OBS, PRED)" C 47 1.527 1
32 1 6 1 "RMS(OBS, PRED)" CA 51 2.306 1
33 1 6 1 "RMS(OBS, PRED)" CB 50 1.437 1
34 1 6 1 "RMS(OBS, PRED)" H 50 0.355 1
35 1 6 1 "RMS(OBS, PRED)" HA 51 0.357 1
36 1 6 1 "RMS(OBS, PRED)" N 49 2.555 1
37 1 7 1 "RMS(OBS, PRED)" C 47 1.404 1
38 1 7 1 "RMS(OBS, PRED)" CA 51 2.271 1
39 1 7 1 "RMS(OBS, PRED)" CB 50 1.236 1
40 1 7 1 "RMS(OBS, PRED)" H 50 0.365 1
41 1 7 1 "RMS(OBS, PRED)" HA 51 0.347 1
42 1 7 1 "RMS(OBS, PRED)" N 49 2.658 1
43 1 8 1 "RMS(OBS, PRED)" C 47 1.452 1
44 1 8 1 "RMS(OBS, PRED)" CA 51 2.325 1
45 1 8 1 "RMS(OBS, PRED)" CB 50 1.177 1
46 1 8 1 "RMS(OBS, PRED)" H 50 0.366 1
47 1 8 1 "RMS(OBS, PRED)" HA 51 0.353 1
48 1 8 1 "RMS(OBS, PRED)" N 49 3.026 1
49 1 9 1 "RMS(OBS, PRED)" C 47 1.398 1
50 1 9 1 "RMS(OBS, PRED)" CA 51 2.256 1
51 1 9 1 "RMS(OBS, PRED)" CB 50 1.346 1
52 1 9 1 "RMS(OBS, PRED)" H 50 0.369 1
53 1 9 1 "RMS(OBS, PRED)" HA 51 0.313 1
54 1 9 1 "RMS(OBS, PRED)" N 49 3.238 1
55 1 10 1 "RMS(OBS, PRED)" C 47 1.558 1
56 1 10 1 "RMS(OBS, PRED)" CA 51 2.225 1
57 1 10 1 "RMS(OBS, PRED)" CB 50 1.351 1
58 1 10 1 "RMS(OBS, PRED)" H 50 0.349 1
59 1 10 1 "RMS(OBS, PRED)" HA 51 0.374 1
60 1 10 1 "RMS(OBS, PRED)" N 49 2.716 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 11 . 1 1 A 2 2 ALA H H 2 8.426 8.382 0.044 2
1 12 . 1 1 A 2 2 ALA HA H 2 4.303 4.589 -0.286 2
1 16 . 1 1 A 2 2 ALA C C 2 178.047 176.473 1.574 2
1 17 . 1 1 A 2 2 ALA CA C 2 52.957 52.166 0.791 2
1 18 . 1 1 A 2 2 ALA CB C 2 19.097 20.569 -1.472 2
1 19 . 1 1 A 2 2 ALA N N 2 125.346 124.421 0.925 2
1 20 . 1 1 A 3 3 ALA H H 3 8.424 8.090 0.334 2
1 21 . 1 1 A 3 3 ALA HA H 3 4.272 4.586 -0.314 2
1 25 . 1 1 A 3 3 ALA C C 3 178.831 177.650 1.181 2
1 26 . 1 1 A 3 3 ALA CA C 3 53.277 51.543 1.734 2
1 27 . 1 1 A 3 3 ALA CB C 3 18.815 19.689 -0.874 2
1 28 . 1 1 A 3 3 ALA N N 3 123.135 121.117 2.018 2
1 29 . 1 1 A 4 4 ILE H H 4 8.153 8.524 -0.371 2
1 30 . 1 1 A 4 4 ILE HA H 4 4.057 4.014 0.043 2
1 37 . 1 1 A 4 4 ILE C C 4 174.367 176.537 -2.170 2
1 38 . 1 1 A 4 4 ILE CA C 4 59.667 63.609 -3.942 2
1 39 . 1 1 A 4 4 ILE CB C 4 35.772 38.439 -2.667 2
1 43 . 1 1 A 4 4 ILE N N 4 120.052 123.026 -2.974 2
1 44 . 1 1 A 5 5 GLU H H 5 8.389 7.829 0.560 2
1 45 . 1 1 A 5 5 GLU HA H 5 4.242 4.587 -0.345 2
1 50 . 1 1 A 5 5 GLU C C 5 177.454 175.441 2.013 2
1 51 . 1 1 A 5 5 GLU CA C 5 57.595 55.894 1.701 2
1 52 . 1 1 A 5 5 GLU CB C 5 29.925 31.230 -1.305 2
1 54 . 1 1 A 5 5 GLU N N 5 123.850 119.567 4.283 2
1 55 . 1 1 A 6 6 LYS H H 6 8.359 8.383 -0.024 2
1 56 . 1 1 A 6 6 LYS HA H 6 4.232 4.639 -0.407 2
1 65 . 1 1 A 6 6 LYS C C 6 178.454 175.839 2.615 2
1 66 . 1 1 A 6 6 LYS CA C 6 57.701 55.753 1.948 2
1 67 . 1 1 A 6 6 LYS CB C 6 32.786 33.923 -1.137 2
1 71 . 1 1 A 6 6 LYS N N 6 122.313 123.501 -1.188 2
1 72 . 1 1 A 7 7 ARG H H 7 8.286 8.550 -0.264 2
1 73 . 1 1 A 7 7 ARG HA H 7 4.302 4.604 -0.302 2
1 78 . 1 1 A 7 7 ARG C C 7 177.255 175.945 1.310 2
1 79 . 1 1 A 7 7 ARG CA C 7 57.082 55.919 1.163 2
1 80 . 1 1 A 7 7 ARG CB C 7 30.301 31.636 -1.335 2
1 83 . 1 1 A 7 7 ARG N N 7 121.287 123.048 -1.761 2
1 84 . 1 1 A 8 8 GLN H H 8 8.441 8.302 0.139 2
1 85 . 1 1 A 8 8 GLN CA C 8 57.140 56.164 0.976 2
1 86 . 1 1 A 8 8 GLN CB C 8 30.176 30.721 -0.545 2
1 87 . 1 1 A 8 8 GLN N N 8 120.311 119.783 0.528 2
1 88 . 1 1 A 9 9 LYS HA H 9 4.232 4.531 -0.299 2
1 97 . 1 1 A 9 9 LYS CA C 9 57.820 55.712 2.108 2
1 98 . 1 1 A 9 9 LYS CB C 9 32.862 32.993 -0.131 2
1 102 . 1 1 A 10 10 GLU H H 10 8.354 8.578 -0.224 2
1 103 . 1 1 A 10 10 GLU HA H 10 4.245 4.098 0.147 2
1 109 . 1 1 A 10 10 GLU C C 10 178.220 178.925 -0.705 2
1 110 . 1 1 A 10 10 GLU CA C 10 57.837 59.063 -1.226 2
1 111 . 1 1 A 10 10 GLU CB C 10 29.839 29.576 0.263 2
1 113 . 1 1 A 10 10 GLU N N 10 121.036 122.800 -1.764 2
1 114 . 1 1 A 11 11 ILE H H 11 8.257 7.923 0.334 2
1 115 . 1 1 A 11 11 ILE HA H 11 4.025 3.683 0.342 2
1 122 . 1 1 A 11 11 ILE C C 11 177.395 177.803 -0.408 2
1 123 . 1 1 A 11 11 ILE CA C 11 62.538 65.082 -2.544 2
1 124 . 1 1 A 11 11 ILE CB C 11 38.434 37.705 0.730 2
1 128 . 1 1 A 11 11 ILE N N 11 121.653 119.429 2.224 2
1 129 . 1 1 A 12 12 ALA H H 12 8.371 8.332 0.039 2
1 130 . 1 1 A 12 12 ALA HA H 12 4.260 3.987 0.273 2
1 134 . 1 1 A 12 12 ALA C C 12 178.875 179.356 -0.481 2
1 135 . 1 1 A 12 12 ALA CA C 12 53.762 55.788 -2.026 2
1 136 . 1 1 A 12 12 ALA CB C 12 18.717 18.287 0.431 2
1 137 . 1 1 A 12 12 ALA N N 12 126.518 122.824 3.694 2
1 138 . 1 1 A 13 13 ASP H H 13 8.608 8.243 0.365 2
1 139 . 1 1 A 13 13 ASP HA H 13 4.546 4.352 0.194 2
1 142 . 1 1 A 13 13 ASP C C 13 177.863 179.565 -1.702 2
1 143 . 1 1 A 13 13 ASP CA C 13 55.465 57.133 -1.668 2
1 144 . 1 1 A 13 13 ASP CB C 13 40.730 40.514 0.216 2
1 145 . 1 1 A 13 13 ASP N N 13 119.841 118.807 1.034 2
1 146 . 1 1 A 14 14 GLY H H 14 8.293 8.442 -0.149 2
1 147 . 1 1 A 14 14 GLY HA2 H 14 3.998 3.675 0.323 2
1 148 . 1 1 A 14 14 GLY HA3 H 14 3.998 3.678 0.320 2
1 149 . 1 1 A 14 14 GLY C C 14 172.618 175.711 -3.093 2
1 150 . 1 1 A 14 14 GLY CA C 14 43.412 47.310 -3.898 2
1 151 . 1 1 A 14 14 GLY N N 14 109.075 108.379 0.696 2
1 152 . 1 1 A 15 15 LEU H H 15 8.119 8.249 -0.130 2
1 153 . 1 1 A 15 15 LEU HA H 15 4.290 4.047 0.243 2
1 163 . 1 1 A 15 15 LEU C C 15 178.215 178.660 -0.445 2
1 164 . 1 1 A 15 15 LEU CA C 15 56.113 57.655 -1.542 2
1 165 . 1 1 A 15 15 LEU CB C 15 42.109 41.749 0.360 2
1 169 . 1 1 A 15 15 LEU N N 15 122.115 123.202 -1.087 2
1 170 . 1 1 A 16 16 ALA H H 16 8.293 8.457 -0.164 2
1 171 . 1 1 A 16 16 ALA HA H 16 4.315 4.007 0.308 2
1 175 . 1 1 A 16 16 ALA C C 16 178.847 179.801 -0.954 2
1 176 . 1 1 A 16 16 ALA CA C 16 53.230 55.187 -1.957 2
1 177 . 1 1 A 16 16 ALA CB C 16 18.769 17.884 0.885 2
1 178 . 1 1 A 16 16 ALA N N 16 123.673 121.300 2.373 2
1 179 . 1 1 A 17 17 SER H H 17 8.294 8.082 0.212 2
1 180 . 1 1 A 17 17 SER HA H 17 4.405 4.110 0.295 2
1 183 . 1 1 A 17 17 SER C C 17 175.446 176.828 -1.382 2
1 184 . 1 1 A 17 17 SER CA C 17 59.398 61.507 -2.109 2
1 185 . 1 1 A 17 17 SER CB C 17 63.460 62.895 0.565 2
1 186 . 1 1 A 17 17 SER N N 17 114.615 113.308 1.307 2
1 187 . 1 1 A 18 18 ALA H H 18 8.308 7.919 0.389 2
1 188 . 1 1 A 18 18 ALA HA H 18 4.325 4.180 0.145 2
1 192 . 1 1 A 18 18 ALA C C 18 178.476 179.387 -0.911 2
1 193 . 1 1 A 18 18 ALA CA C 18 53.528 54.856 -1.329 2
1 194 . 1 1 A 18 18 ALA CB C 18 18.753 18.445 0.309 2
1 195 . 1 1 A 18 18 ALA N N 18 125.710 122.976 2.734 2
1 196 . 1 1 A 19 19 GLU H H 19 8.290 8.307 -0.018 2
1 197 . 1 1 A 19 19 GLU HA H 19 4.237 4.027 0.210 2
1 202 . 1 1 A 19 19 GLU C C 19 177.358 178.811 -1.453 2
1 203 . 1 1 A 19 19 GLU CA C 19 57.447 59.646 -2.199 2
1 204 . 1 1 A 19 19 GLU CB C 19 29.866 29.105 0.761 2
1 206 . 1 1 A 19 19 GLU N N 19 119.387 118.872 0.515 2
1 207 . 1 1 A 20 20 ARG H H 20 8.214 8.126 0.088 2
1 208 . 1 1 A 20 20 ARG HA H 20 4.244 4.035 0.209 2
1 215 . 1 1 A 20 20 ARG C C 20 176.546 178.511 -1.965 2
1 216 . 1 1 A 20 20 ARG CA C 20 56.895 59.189 -2.294 2
1 217 . 1 1 A 20 20 ARG CB C 20 30.596 30.135 0.461 2
1 220 . 1 1 A 20 20 ARG N N 20 121.283 119.383 1.900 2
1 221 . 1 1 A 21 21 ALA H H 21 8.247 7.431 0.816 2
1 222 . 1 1 A 21 21 ALA HA H 21 4.279 4.132 0.147 2
1 226 . 1 1 A 21 21 ALA C C 21 178.212 179.881 -1.669 2
1 227 . 1 1 A 21 21 ALA CA C 21 53.059 55.131 -2.072 2
1 228 . 1 1 A 21 21 ALA CB C 21 18.827 18.512 0.315 2
1 229 . 1 1 A 21 21 ALA N N 21 123.697 121.720 1.977 2
1 230 . 1 1 A 22 22 HIS H H 22 8.352 8.392 -0.040 2
1 231 . 1 1 A 22 22 HIS HA H 22 4.212 4.254 -0.042 2
1 234 . 1 1 A 22 22 HIS C C 22 177.321 177.283 0.038 2
1 235 . 1 1 A 22 22 HIS CA C 22 56.652 59.716 -3.064 2
1 236 . 1 1 A 22 22 HIS CB C 22 29.845 29.786 0.059 2
1 237 . 1 1 A 22 22 HIS N N 22 118.280 117.150 1.131 2
1 238 . 1 1 A 23 23 LYS H H 23 8.336 8.467 -0.131 2
1 239 . 1 1 A 23 23 LYS HA H 23 4.294 3.819 0.475 2
1 248 . 1 1 A 23 23 LYS C C 23 176.700 178.374 -1.674 2
1 249 . 1 1 A 23 23 LYS CA C 23 57.000 59.905 -2.905 2
1 250 . 1 1 A 23 23 LYS CB C 23 32.797 32.320 0.477 2
1 254 . 1 1 A 23 23 LYS N N 23 122.370 119.029 3.341 2
1 255 . 1 1 A 24 24 ASP H H 24 8.537 8.312 0.225 2
1 256 . 1 1 A 24 24 ASP HA H 24 4.581 4.324 0.258 2
1 259 . 1 1 A 24 24 ASP C C 24 176.941 178.544 -1.603 2
1 260 . 1 1 A 24 24 ASP CA C 24 55.069 57.489 -2.420 2
1 261 . 1 1 A 24 24 ASP CB C 24 40.789 41.517 -0.728 2
1 262 . 1 1 A 24 24 ASP N N 24 121.152 119.780 1.372 2
1 263 . 1 1 A 25 25 LEU H H 25 8.215 8.401 -0.186 2
1 264 . 1 1 A 25 25 LEU HA H 25 4.290 4.003 0.287 2
1 273 . 1 1 A 25 25 LEU CA C 25 56.176 58.170 -1.994 2
1 274 . 1 1 A 25 25 LEU CB C 25 42.175 41.468 0.707 2
1 278 . 1 1 A 25 25 LEU N N 25 122.648 120.499 2.149 2
1 279 . 1 1 A 26 26 ASP H H 26 8.363 8.377 -0.014 2
1 280 . 1 1 A 26 26 ASP HA H 26 4.577 4.301 0.276 2
1 283 . 1 1 A 26 26 ASP C C 26 177.284 178.645 -1.361 2
1 284 . 1 1 A 26 26 ASP CA C 26 54.971 57.289 -2.318 2
1 285 . 1 1 A 26 26 ASP CB C 26 40.708 41.250 -0.542 2
1 286 . 1 1 A 26 26 ASP N N 26 121.040 118.967 2.073 2
1 287 . 1 1 A 27 27 LEU H H 27 8.228 8.295 -0.067 2
1 288 . 1 1 A 27 27 LEU HA H 27 4.309 4.030 0.279 2
1 297 . 1 1 A 27 27 LEU C C 27 178.228 178.764 -0.536 2
1 298 . 1 1 A 27 27 LEU CA C 27 56.235 57.986 -1.751 2
1 299 . 1 1 A 27 27 LEU CB C 27 42.080 41.542 0.538 2
1 303 . 1 1 A 27 27 LEU N N 27 122.902 120.315 2.587 2
1 304 . 1 1 A 28 28 ALA H H 28 8.226 8.530 -0.303 2
1 305 . 1 1 A 28 28 ALA HA H 28 4.313 4.066 0.247 2
1 309 . 1 1 A 28 28 ALA C C 28 178.768 179.506 -0.738 2
1 310 . 1 1 A 28 28 ALA CA C 28 50.751 55.664 -4.913 2
1 311 . 1 1 A 28 28 ALA CB C 28 15.973 18.313 -2.340 2
1 312 . 1 1 A 28 28 ALA N N 28 123.394 121.452 1.942 2
1 313 . 1 1 A 29 29 LYS H H 29 8.105 8.330 -0.225 2
1 314 . 1 1 A 29 29 LYS HA H 29 4.273 3.941 0.332 2
1 321 . 1 1 A 29 29 LYS C C 29 177.235 178.565 -1.330 2
1 322 . 1 1 A 29 29 LYS CA C 29 56.975 59.532 -2.557 2
1 323 . 1 1 A 29 29 LYS CB C 29 32.809 32.395 0.414 2
1 327 . 1 1 A 29 29 LYS N N 29 119.798 117.925 1.873 2
1 328 . 1 1 A 30 30 ALA H H 30 8.256 8.274 -0.018 2
1 329 . 1 1 A 30 30 ALA HA H 30 4.333 4.091 0.242 2
1 333 . 1 1 A 30 30 ALA C C 30 178.374 179.837 -1.463 2
1 334 . 1 1 A 30 30 ALA CA C 30 53.121 55.272 -2.151 2
1 335 . 1 1 A 30 30 ALA CB C 30 18.978 18.572 0.406 2
1 336 . 1 1 A 30 30 ALA N N 30 124.377 121.581 2.796 2
1 337 . 1 1 A 31 31 SER H H 31 8.404 8.313 0.091 2
1 338 . 1 1 A 31 31 SER HA H 31 4.484 4.057 0.427 2
1 341 . 1 1 A 31 31 SER C C 31 175.050 176.960 -1.910 2
1 342 . 1 1 A 31 31 SER CA C 31 58.756 61.513 -2.757 2
1 343 . 1 1 A 31 31 SER CB C 31 63.797 62.942 0.855 2
1 344 . 1 1 A 31 31 SER N N 31 114.933 112.949 1.984 2
1 345 . 1 1 A 32 32 ALA H H 32 8.419 8.002 0.417 2
1 346 . 1 1 A 32 32 ALA HA H 32 4.414 4.125 0.289 2
1 350 . 1 1 A 32 32 ALA C C 32 178.933 179.838 -0.904 2
1 351 . 1 1 A 32 32 ALA CA C 32 53.555 55.168 -1.613 2
1 352 . 1 1 A 32 32 ALA CB C 32 18.785 18.537 0.248 2
1 353 . 1 1 A 32 32 ALA N N 32 125.821 123.328 2.493 2
1 354 . 1 1 A 33 33 THR H H 33 8.216 8.294 -0.078 2
1 355 . 1 1 A 33 33 THR HA H 33 4.364 3.913 0.451 2
1 358 . 1 1 A 33 33 THR C C 33 175.345 176.153 -0.808 2
1 359 . 1 1 A 33 33 THR CA C 33 63.424 66.745 -3.321 2
1 360 . 1 1 A 33 33 THR CB C 33 69.432 68.561 0.871 2
1 361 . 1 1 A 33 33 THR N N 33 112.980 113.251 -0.271 2
1 362 . 1 1 A 34 34 ASP H H 34 8.332 8.463 -0.132 2
1 363 . 1 1 A 34 34 ASP HA H 34 4.560 4.283 0.277 2
1 366 . 1 1 A 34 34 ASP C C 34 177.331 178.495 -1.164 2
1 367 . 1 1 A 34 34 ASP CA C 34 55.611 57.589 -1.978 2
1 368 . 1 1 A 34 34 ASP CB C 34 40.819 41.188 -0.369 2
1 369 . 1 1 A 34 34 ASP N N 34 122.777 121.326 1.451 2
1 370 . 1 1 A 35 35 GLN H H 35 8.376 8.040 0.336 2
1 371 . 1 1 A 35 35 GLN HA H 35 4.225 3.980 0.245 2
1 376 . 1 1 A 35 35 GLN C C 35 177.216 178.274 -1.058 2
1 377 . 1 1 A 35 35 GLN CA C 35 57.159 58.788 -1.629 2
1 378 . 1 1 A 35 35 GLN CB C 35 28.840 28.241 0.599 2
1 380 . 1 1 A 35 35 GLN N N 35 120.161 118.957 1.204 2
1 381 . 1 1 A 36 36 LEU H H 36 8.152 8.294 -0.143 2
1 382 . 1 1 A 36 36 LEU HA H 36 4.325 3.999 0.326 2
1 391 . 1 1 A 36 36 LEU C C 36 178.245 178.616 -0.371 2
1 392 . 1 1 A 36 36 LEU CA C 36 56.382 57.954 -1.572 2
1 393 . 1 1 A 36 36 LEU CB C 36 41.952 41.710 0.242 2
1 397 . 1 1 A 36 36 LEU N N 36 121.719 121.014 0.705 2
1 398 . 1 1 A 37 37 LYS H H 37 8.140 8.355 -0.215 2
1 399 . 1 1 A 37 37 LYS HA H 37 4.245 3.898 0.347 2
1 408 . 1 1 A 37 37 LYS C C 37 177.582 178.845 -1.263 2
1 409 . 1 1 A 37 37 LYS CA C 37 57.518 59.812 -2.294 2
1 410 . 1 1 A 37 37 LYS CB C 37 32.662 32.339 0.323 2
1 414 . 1 1 A 37 37 LYS N N 37 121.035 118.751 2.284 2
1 415 . 1 1 A 38 38 LYS H H 38 8.200 8.147 0.053 2
1 416 . 1 1 A 38 38 LYS HA H 38 4.259 4.042 0.217 2
1 425 . 1 1 A 38 38 LYS C C 38 177.094 178.748 -1.654 2
1 426 . 1 1 A 38 38 LYS CA C 38 57.200 59.412 -2.212 2
1 427 . 1 1 A 38 38 LYS CB C 38 32.881 32.305 0.576 2
1 431 . 1 1 A 38 38 LYS N N 38 121.951 119.143 2.808 2
1 432 . 1 1 A 39 39 ALA H H 39 8.310 8.377 -0.067 2
1 433 . 1 1 A 39 39 ALA HA H 39 4.297 4.105 0.192 2
1 437 . 1 1 A 39 39 ALA C C 39 178.705 179.578 -0.873 2
1 438 . 1 1 A 39 39 ALA CA C 39 53.083 55.279 -2.196 2
1 439 . 1 1 A 39 39 ALA CB C 39 18.859 18.341 0.518 2
1 440 . 1 1 A 39 39 ALA N N 39 124.850 121.500 3.350 2
1 441 . 1 1 A 40 40 LYS H H 40 8.322 8.207 0.115 2
1 442 . 1 1 A 40 40 LYS HA H 40 4.257 3.981 0.276 2
1 451 . 1 1 A 40 40 LYS C C 40 176.957 178.825 -1.868 2
1 452 . 1 1 A 40 40 LYS CA C 40 57.048 59.428 -2.380 2
1 453 . 1 1 A 40 40 LYS CB C 40 32.890 32.309 0.581 2
1 457 . 1 1 A 40 40 LYS N N 40 120.538 117.559 2.979 2
1 458 . 1 1 A 41 41 ALA H H 41 8.292 8.349 -0.057 2
1 459 . 1 1 A 41 41 ALA HA H 41 4.328 4.039 0.289 2
1 463 . 1 1 A 41 41 ALA C C 41 178.535 179.775 -1.240 2
1 464 . 1 1 A 41 41 ALA CA C 41 53.106 55.042 -1.936 2
1 465 . 1 1 A 41 41 ALA CB C 41 18.889 18.366 0.523 2
1 466 . 1 1 A 41 41 ALA N N 41 124.385 121.465 2.920 2
1 467 . 1 1 A 42 42 GLU H H 42 8.441 8.225 0.216 2
1 468 . 1 1 A 42 42 GLU HA H 42 4.275 4.055 0.220 2
1 473 . 1 1 A 42 42 GLU C C 42 176.846 178.541 -1.695 2
1 474 . 1 1 A 42 42 GLU CA C 42 57.031 59.192 -2.161 2
1 475 . 1 1 A 42 42 GLU CB C 42 30.151 29.412 0.739 2
1 477 . 1 1 A 42 42 GLU N N 42 120.022 118.403 1.619 2
1 478 . 1 1 A 43 43 ALA H H 43 8.276 8.130 0.147 2
1 479 . 1 1 A 43 43 ALA HA H 43 4.306 4.153 0.153 2
1 483 . 1 1 A 43 43 ALA C C 43 178.055 178.080 -0.025 2
1 484 . 1 1 A 43 43 ALA CA C 43 52.974 54.093 -1.119 2
1 485 . 1 1 A 43 43 ALA CB C 43 18.903 18.689 0.214 2
1 486 . 1 1 A 43 43 ALA N N 43 124.119 121.371 2.748 2
1 487 . 1 1 A 44 44 GLN H H 44 8.312 7.649 0.663 2
1 488 . 1 1 A 44 44 GLN HA H 44 4.310 4.456 -0.146 2
1 493 . 1 1 A 44 44 GLN C C 44 176.174 175.744 0.430 2
1 494 . 1 1 A 44 44 GLN CA C 44 56.154 56.606 -0.452 2
1 495 . 1 1 A 44 44 GLN CB C 44 29.285 29.815 -0.530 2
1 497 . 1 1 A 44 44 GLN N N 44 119.573 116.529 3.044 2
1 498 . 1 1 A 45 45 VAL H H 45 8.206 7.996 0.210 2
1 499 . 1 1 A 45 45 VAL HA H 45 4.360 4.308 0.052 2
1 504 . 1 1 A 45 45 VAL C C 45 176.263 175.325 0.938 2
1 505 . 1 1 A 45 45 VAL CA C 45 63.120 62.399 0.721 2
1 506 . 1 1 A 45 45 VAL CB C 45 32.386 33.259 -0.873 2
1 509 . 1 1 A 45 45 VAL N N 45 122.385 119.388 2.997 2
1 510 . 1 1 A 46 46 ILE H H 46 8.045 8.152 -0.107 2
1 511 . 1 1 A 46 46 ILE HA H 46 4.138 4.461 -0.323 2
1 518 . 1 1 A 46 46 ILE C C 46 176.573 175.279 1.294 2
1 519 . 1 1 A 46 46 ILE CA C 46 61.413 60.695 0.718 2
1 520 . 1 1 A 46 46 ILE CB C 46 38.356 39.978 -1.622 2
1 524 . 1 1 A 46 46 ILE N N 46 125.491 122.360 3.131 2
1 525 . 1 1 A 47 47 ILE H H 47 8.332 8.508 -0.175 2
1 526 . 1 1 A 47 47 ILE HA H 47 4.177 4.441 -0.264 2
1 533 . 1 1 A 47 47 ILE C C 47 176.554 175.098 1.456 2
1 534 . 1 1 A 47 47 ILE CA C 47 61.374 60.885 0.489 2
1 535 . 1 1 A 47 47 ILE CB C 47 38.377 39.929 -1.552 2
1 539 . 1 1 A 47 47 ILE N N 47 126.147 124.043 2.104 2
1 540 . 1 1 A 48 48 GLU H H 48 8.587 8.515 0.072 2
1 541 . 1 1 A 48 48 GLU HA H 48 4.141 4.743 -0.602 2
1 544 . 1 1 A 48 48 GLU C C 48 176.290 175.229 1.061 2
1 545 . 1 1 A 48 48 GLU CA C 48 56.867 55.613 1.254 2
1 546 . 1 1 A 48 48 GLU CB C 48 30.160 31.584 -1.424 2
1 548 . 1 1 A 48 48 GLU N N 48 125.278 122.862 2.416 2
1 549 . 1 1 A 49 49 GLN H H 49 8.521 8.571 -0.050 2
1 550 . 1 1 A 49 49 GLN HA H 49 4.313 4.702 -0.389 2
1 555 . 1 1 A 49 49 GLN C C 49 175.798 175.143 0.656 2
1 556 . 1 1 A 49 49 GLN CA C 49 55.936 55.342 0.594 2
1 557 . 1 1 A 49 49 GLN CB C 49 29.328 29.921 -0.593 2
1 559 . 1 1 A 49 49 GLN N N 49 125.675 123.345 2.330 2
1 560 . 1 1 A 50 50 ALA H H 50 8.414 8.404 0.010 2
1 561 . 1 1 A 50 50 ALA HA H 50 4.356 4.692 -0.336 2
1 565 . 1 1 A 50 50 ALA C C 50 177.553 176.479 1.074 2
1 566 . 1 1 A 50 50 ALA CA C 50 52.833 51.577 1.256 2
1 567 . 1 1 A 50 50 ALA CB C 50 19.162 20.739 -1.577 2
1 568 . 1 1 A 50 50 ALA N N 50 124.988 125.546 -0.558 2
1 569 . 1 1 A 51 51 ASN H H 51 8.467 8.672 -0.205 2
1 570 . 1 1 A 51 51 ASN HA H 51 4.738 5.170 -0.432 2
1 573 . 1 1 A 51 51 ASN C C 51 174.232 174.495 -0.263 2
1 574 . 1 1 A 51 51 ASN CA C 51 53.358 52.819 0.539 2
1 575 . 1 1 A 51 51 ASN CB C 51 38.847 40.845 -1.998 2
1 576 . 1 1 A 51 51 ASN N N 51 118.053 118.376 -0.322 2
1 577 . 1 1 A 52 52 LYS H H 52 7.943 8.519 -0.576 2
1 578 . 1 1 A 52 52 LYS HA H 52 4.195 4.717 -0.522 2
1 583 . 1 1 A 52 52 LYS CA C 52 57.852 55.412 2.440 2
1 584 . 1 1 A 52 52 LYS CB C 52 33.585 34.855 -1.270 2
stop_
save_