data_15344_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15344
_Entry.PDB_ID 2JRT
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 2 2 TYR HA H 2 4.593 4.937 -0.344 1
1 8 . 1 1 1 A 2 2 TYR C C 2 174.805 175.863 -1.058 1
1 9 . 1 1 1 A 2 2 TYR CA C 2 57.884 56.505 1.379 1
1 10 . 1 1 1 A 2 2 TYR CB C 2 38.790 41.110 -2.320 1
1 15 . 1 1 1 A 3 3 LEU H H 3 8.189 8.986 -0.797 1
1 16 . 1 1 1 A 3 3 LEU HA H 3 4.268 4.247 0.021 1
1 25 . 1 1 1 A 3 3 LEU C C 3 176.110 176.116 -0.006 1
1 26 . 1 1 1 A 3 3 LEU CA C 3 54.574 57.062 -2.488 1
1 27 . 1 1 1 A 3 3 LEU CB C 3 42.796 41.813 0.983 1
1 30 . 1 1 1 A 3 3 LEU N N 3 126.201 124.375 1.826 1
1 31 . 1 1 1 A 4 4 LYS H H 4 8.132 8.642 -0.510 1
1 32 . 1 1 1 A 4 4 LYS HA H 4 4.336 4.394 -0.058 1
1 35 . 1 1 1 A 4 4 LYS C C 4 175.828 175.468 0.360 1
1 36 . 1 1 1 A 4 4 LYS CA C 4 56.186 55.130 1.056 1
1 37 . 1 1 1 A 4 4 LYS CB C 4 33.084 30.977 2.107 1
1 38 . 1 1 1 A 4 4 LYS N N 4 123.332 119.159 4.173 1
1 39 . 1 1 1 A 5 5 ARG H H 5 8.537 8.224 0.313 1
1 40 . 1 1 1 A 5 5 ARG HA H 5 4.327 4.884 -0.557 1
1 47 . 1 1 1 A 5 5 ARG C C 5 176.158 174.631 1.527 1
1 48 . 1 1 1 A 5 5 ARG CA C 5 56.076 55.084 0.992 1
1 49 . 1 1 1 A 5 5 ARG CB C 5 31.028 32.964 -1.936 1
1 52 . 1 1 1 A 5 5 ARG N N 5 124.828 125.836 -1.008 1
1 53 . 1 1 1 A 6 6 VAL H H 6 8.344 8.872 -0.528 1
1 54 . 1 1 1 A 6 6 VAL HA H 6 4.154 4.394 -0.240 1
1 62 . 1 1 1 A 6 6 VAL C C 6 175.662 174.707 0.955 1
1 63 . 1 1 1 A 6 6 VAL CA C 6 61.973 62.279 -0.306 1
1 64 . 1 1 1 A 6 6 VAL CB C 6 32.937 30.682 2.255 1
1 66 . 1 1 1 A 6 6 VAL N N 6 122.153 126.231 -4.078 1
1 67 . 1 1 1 A 7 7 ASP H H 7 8.469 8.452 0.017 1
1 68 . 1 1 1 A 7 7 ASP HA H 7 4.681 4.920 -0.239 1
1 71 . 1 1 1 A 7 7 ASP C C 7 176.217 175.835 0.382 1
1 72 . 1 1 1 A 7 7 ASP CA C 7 54.202 53.316 0.886 1
1 73 . 1 1 1 A 7 7 ASP CB C 7 41.583 42.185 -0.602 1
1 74 . 1 1 1 A 7 7 ASP N N 7 124.555 129.119 -4.564 1
1 75 . 1 1 1 A 8 8 GLY H H 8 8.185 8.517 -0.332 1
1 76 . 1 1 1 A 8 8 GLY HA2 H 8 4.184 4.138 0.046 1
1 77 . 1 1 1 A 8 8 GLY HA3 H 8 4.070 4.142 -0.072 1
1 78 . 1 1 1 A 8 8 GLY C C 8 171.436 174.165 -2.729 1
1 79 . 1 1 1 A 8 8 GLY CA C 8 44.634 44.761 -0.127 1
1 80 . 1 1 1 A 8 8 GLY N N 8 109.085 110.183 -1.098 1
1 81 . 1 1 1 A 9 9 PRO HA H 9 4.510 4.647 -0.137 1
1 88 . 1 1 1 A 9 9 PRO C C 9 176.784 176.312 0.472 1
1 89 . 1 1 1 A 9 9 PRO CA C 9 62.869 62.570 0.299 1
1 90 . 1 1 1 A 9 9 PRO CB C 9 32.364 32.545 -0.181 1
1 93 . 1 1 1 A 10 10 ARG H H 10 8.761 9.143 -0.382 1
1 94 . 1 1 1 A 10 10 ARG HA H 10 4.165 4.125 0.040 1
1 99 . 1 1 1 A 10 10 ARG C C 10 175.911 176.274 -0.363 1
1 100 . 1 1 1 A 10 10 ARG CA C 10 57.463 57.865 -0.402 1
1 101 . 1 1 1 A 10 10 ARG CB C 10 31.030 30.869 0.161 1
1 103 . 1 1 1 A 10 10 ARG N N 10 120.390 120.448 -0.058 1
1 104 . 1 1 1 A 11 11 GLN H H 11 7.790 7.777 0.013 1
1 105 . 1 1 1 A 11 11 GLN HA H 11 5.173 4.930 0.243 1
1 112 . 1 1 1 A 11 11 GLN C C 11 173.893 174.055 -0.162 1
1 113 . 1 1 1 A 11 11 GLN CA C 11 54.402 54.373 0.029 1
1 114 . 1 1 1 A 11 11 GLN CB C 11 31.366 31.678 -0.312 1
1 116 . 1 1 1 A 11 11 GLN N N 11 114.694 115.555 -0.861 1
1 118 . 1 1 1 A 12 12 VAL H H 12 8.803 9.309 -0.506 1
1 119 . 1 1 1 A 12 12 VAL HA H 12 4.625 5.020 -0.395 1
1 127 . 1 1 1 A 12 12 VAL C C 12 173.796 174.771 -0.975 1
1 128 . 1 1 1 A 12 12 VAL CA C 12 60.127 59.986 0.141 1
1 129 . 1 1 1 A 12 12 VAL CB C 12 35.590 34.319 1.271 1
1 132 . 1 1 1 A 12 12 VAL N N 12 115.575 118.304 -2.729 1
1 133 . 1 1 1 A 13 13 THR H H 13 8.553 8.294 0.259 1
1 134 . 1 1 1 A 13 13 THR HA H 13 4.772 4.883 -0.111 1
1 139 . 1 1 1 A 13 13 THR C C 13 174.526 173.959 0.567 1
1 140 . 1 1 1 A 13 13 THR CA C 13 61.880 61.221 0.659 1
1 141 . 1 1 1 A 13 13 THR CB C 13 69.319 70.516 -1.197 1
1 143 . 1 1 1 A 13 13 THR N N 13 119.282 116.691 2.591 1
1 144 . 1 1 1 A 14 14 LEU H H 14 9.254 8.881 0.373 1
1 145 . 1 1 1 A 14 14 LEU HA H 14 4.210 4.594 -0.384 1
1 155 . 1 1 1 A 14 14 LEU C C 14 177.361 176.672 0.689 1
1 156 . 1 1 1 A 14 14 LEU CA C 14 54.116 52.610 1.506 1
1 157 . 1 1 1 A 14 14 LEU CB C 14 39.546 42.102 -2.556 1
1 161 . 1 1 1 A 14 14 LEU N N 14 129.147 126.616 2.531 1
1 162 . 1 1 1 A 15 15 PRO HA H 15 4.294 4.491 -0.197 1
1 169 . 1 1 1 A 15 15 PRO C C 15 176.570 177.435 -0.865 1
1 170 . 1 1 1 A 15 15 PRO CA C 15 65.392 64.507 0.885 1
1 171 . 1 1 1 A 15 15 PRO CB C 15 31.808 31.763 0.045 1
1 174 . 1 1 1 A 16 16 ASP H H 16 7.397 8.120 -0.723 1
1 175 . 1 1 1 A 16 16 ASP HA H 16 4.486 4.620 -0.134 1
1 178 . 1 1 1 A 16 16 ASP C C 16 177.056 176.435 0.621 1
1 179 . 1 1 1 A 16 16 ASP CA C 16 53.157 54.494 -1.337 1
1 180 . 1 1 1 A 16 16 ASP CB C 16 39.987 40.880 -0.893 1
1 181 . 1 1 1 A 16 16 ASP N N 16 113.036 115.198 -2.162 1
1 182 . 1 1 1 A 17 17 GLY H H 17 8.399 7.842 0.557 1
1 183 . 1 1 1 A 17 17 GLY HA2 H 17 4.293 3.893 0.400 1
1 184 . 1 1 1 A 17 17 GLY HA3 H 17 3.481 3.899 -0.418 1
1 185 . 1 1 1 A 17 17 GLY C C 17 174.700 174.418 0.282 1
1 186 . 1 1 1 A 17 17 GLY CA C 17 44.998 44.789 0.209 1
1 187 . 1 1 1 A 17 17 GLY N N 17 108.859 106.199 2.660 1
1 188 . 1 1 1 A 18 18 THR H H 18 8.003 7.773 0.230 1
1 189 . 1 1 1 A 18 18 THR HA H 18 4.151 4.387 -0.236 1
1 194 . 1 1 1 A 18 18 THR C C 18 172.576 173.968 -1.392 1
1 195 . 1 1 1 A 18 18 THR CA C 18 63.144 62.170 0.974 1
1 196 . 1 1 1 A 18 18 THR CB C 18 69.888 69.614 0.274 1
1 198 . 1 1 1 A 18 18 THR N N 18 116.015 117.010 -0.995 1
1 199 . 1 1 1 A 19 19 VAL H H 19 8.384 8.405 -0.021 1
1 200 . 1 1 1 A 19 19 VAL HA H 19 4.726 4.701 0.025 1
1 208 . 1 1 1 A 19 19 VAL C C 19 175.823 174.080 1.743 1
1 209 . 1 1 1 A 19 19 VAL CA C 19 61.491 60.991 0.500 1
1 210 . 1 1 1 A 19 19 VAL CB C 19 33.757 33.944 -0.187 1
1 213 . 1 1 1 A 19 19 VAL N N 19 121.723 122.506 -0.783 1
1 214 . 1 1 1 A 20 20 LEU H H 20 8.948 9.296 -0.348 1
1 215 . 1 1 1 A 20 20 LEU HA H 20 4.784 5.043 -0.259 1
1 225 . 1 1 1 A 20 20 LEU C C 20 174.749 176.183 -1.434 1
1 226 . 1 1 1 A 20 20 LEU CA C 20 53.616 53.499 0.117 1
1 227 . 1 1 1 A 20 20 LEU CB C 20 45.062 43.948 1.114 1
1 231 . 1 1 1 A 20 20 LEU N N 20 129.673 130.494 -0.821 1
1 232 . 1 1 1 A 21 21 SER H H 21 9.246 9.121 0.125 1
1 233 . 1 1 1 A 21 21 SER HA H 21 5.207 4.898 0.309 1
1 236 . 1 1 1 A 21 21 SER C C 21 176.047 175.650 0.397 1
1 237 . 1 1 1 A 21 21 SER CA C 21 56.523 56.885 -0.362 1
1 238 . 1 1 1 A 21 21 SER CB C 21 66.369 66.037 0.332 1
1 239 . 1 1 1 A 21 21 SER N N 21 120.387 119.322 1.065 1
1 240 . 1 1 1 A 22 22 ARG H H 22 8.847 8.860 -0.013 1
1 241 . 1 1 1 A 22 22 ARG HA H 22 3.868 4.350 -0.482 1
1 248 . 1 1 1 A 22 22 ARG C C 22 178.388 176.740 1.648 1
1 249 . 1 1 1 A 22 22 ARG CA C 22 60.207 58.198 2.009 1
1 250 . 1 1 1 A 22 22 ARG CB C 22 29.118 30.021 -0.903 1
1 253 . 1 1 1 A 22 22 ARG N N 22 122.878 120.767 2.111 1
1 254 . 1 1 1 A 23 23 ALA H H 23 8.243 7.752 0.491 1
1 255 . 1 1 1 A 23 23 ALA HA H 23 4.175 4.299 -0.124 1
1 259 . 1 1 1 A 23 23 ALA C C 23 177.763 178.187 -0.424 1
1 260 . 1 1 1 A 23 23 ALA CA C 23 54.000 52.715 1.285 1
1 261 . 1 1 1 A 23 23 ALA CB C 23 18.461 19.702 -1.241 1
1 262 . 1 1 1 A 23 23 ALA N N 23 121.050 120.796 0.254 1
1 263 . 1 1 1 A 24 24 ASP H H 24 7.597 7.767 -0.170 1
1 264 . 1 1 1 A 24 24 ASP HA H 24 4.632 4.694 -0.062 1
1 267 . 1 1 1 A 24 24 ASP C C 24 176.608 176.906 -0.298 1
1 268 . 1 1 1 A 24 24 ASP CA C 24 54.726 55.188 -0.462 1
1 269 . 1 1 1 A 24 24 ASP CB C 24 42.026 41.467 0.559 1
1 270 . 1 1 1 A 24 24 ASP N N 24 115.095 116.677 -1.582 1
1 271 . 1 1 1 A 25 25 LEU H H 25 7.311 7.452 -0.141 1
1 272 . 1 1 1 A 25 25 LEU HA H 25 4.402 4.502 -0.100 1
1 282 . 1 1 1 A 25 25 LEU C C 25 174.724 174.889 -0.165 1
1 283 . 1 1 1 A 25 25 LEU CA C 25 53.307 53.930 -0.623 1
1 284 . 1 1 1 A 25 25 LEU CB C 25 40.047 41.766 -1.719 1
1 288 . 1 1 1 A 25 25 LEU N N 25 119.781 122.766 -2.985 1
1 289 . 1 1 1 A 26 26 PRO HA H 26 4.745 4.732 0.013 1
1 296 . 1 1 1 A 26 26 PRO CA C 26 61.496 61.763 -0.267 1
1 297 . 1 1 1 A 26 26 PRO CB C 26 30.700 31.663 -0.963 1
1 300 . 1 1 1 A 27 27 PRO HA H 27 4.598 4.647 -0.049 1
1 307 . 1 1 1 A 27 27 PRO C C 27 178.036 177.102 0.934 1
1 308 . 1 1 1 A 27 27 PRO CA C 27 62.923 62.816 0.107 1
1 309 . 1 1 1 A 27 27 PRO CB C 27 32.758 32.510 0.248 1
1 312 . 1 1 1 A 28 28 LEU H H 28 8.880 8.469 0.411 1
1 313 . 1 1 1 A 28 28 LEU HA H 28 4.177 4.401 -0.224 1
1 323 . 1 1 1 A 28 28 LEU C C 28 176.873 178.292 -1.419 1
1 324 . 1 1 1 A 28 28 LEU CA C 28 57.833 57.126 0.707 1
1 325 . 1 1 1 A 28 28 LEU CB C 28 41.291 41.647 -0.356 1
1 329 . 1 1 1 A 28 28 LEU N N 28 122.643 122.378 0.265 1
1 330 . 1 1 1 A 29 29 ASP H H 29 8.203 7.911 0.292 1
1 331 . 1 1 1 A 29 29 ASP HA H 29 4.615 4.609 0.006 1
1 334 . 1 1 1 A 29 29 ASP C C 29 176.158 176.174 -0.016 1
1 335 . 1 1 1 A 29 29 ASP CA C 29 53.098 55.382 -2.284 1
1 336 . 1 1 1 A 29 29 ASP CB C 29 39.311 41.642 -2.331 1
1 337 . 1 1 1 A 29 29 ASP N N 29 115.741 117.022 -1.281 1
1 338 . 1 1 1 A 30 30 THR H H 30 7.516 7.505 0.011 1
1 339 . 1 1 1 A 30 30 THR HA H 30 3.599 4.143 -0.544 1
1 344 . 1 1 1 A 30 30 THR C C 30 174.366 173.287 1.079 1
1 345 . 1 1 1 A 30 30 THR CA C 30 65.815 62.306 3.509 1
1 346 . 1 1 1 A 30 30 THR CB C 30 69.989 69.393 0.596 1
1 348 . 1 1 1 A 30 30 THR N N 30 116.808 113.935 2.873 1
1 349 . 1 1 1 A 31 31 ARG H H 31 8.482 8.725 -0.243 1
1 350 . 1 1 1 A 31 31 ARG HA H 31 4.583 4.488 0.095 1
1 358 . 1 1 1 A 31 31 ARG CA C 31 55.399 56.569 -1.170 1
1 359 . 1 1 1 A 31 31 ARG CB C 31 32.296 33.144 -0.848 1
1 362 . 1 1 1 A 31 31 ARG N N 31 124.991 127.729 -2.738 1
1 364 . 1 1 1 A 32 32 ARG HA H 32 4.523 4.296 0.227 1
1 372 . 1 1 1 A 32 32 ARG C C 32 175.341 174.286 1.055 1
1 373 . 1 1 1 A 32 32 ARG CA C 32 54.759 55.129 -0.370 1
1 374 . 1 1 1 A 32 32 ARG CB C 32 30.348 29.102 1.246 1
1 378 . 1 1 1 A 33 33 TRP H H 33 8.923 8.699 0.224 1
1 379 . 1 1 1 A 33 33 TRP HA H 33 4.292 4.805 -0.513 1
1 388 . 1 1 1 A 33 33 TRP C C 33 176.208 176.380 -0.172 1
1 389 . 1 1 1 A 33 33 TRP CA C 33 56.923 56.842 0.081 1
1 390 . 1 1 1 A 33 33 TRP CB C 33 28.492 28.348 0.144 1
1 396 . 1 1 1 A 33 33 TRP N N 33 128.804 127.470 1.334 1
1 398 . 1 1 1 A 34 34 VAL H H 34 6.953 7.963 -1.010 1
1 399 . 1 1 1 A 34 34 VAL HA H 34 4.451 4.436 0.015 1
1 407 . 1 1 1 A 34 34 VAL C C 34 177.217 176.819 0.398 1
1 408 . 1 1 1 A 34 34 VAL CA C 34 60.180 60.834 -0.654 1
1 409 . 1 1 1 A 34 34 VAL CB C 34 32.686 33.778 -1.092 1
1 412 . 1 1 1 A 34 34 VAL N N 34 114.683 123.748 -9.065 1
1 413 . 1 1 1 A 35 35 ALA HA H 35 3.745 3.907 -0.162 1
1 417 . 1 1 1 A 35 35 ALA C C 35 180.114 179.783 0.331 1
1 418 . 1 1 1 A 35 35 ALA CA C 35 56.618 55.597 1.021 1
1 419 . 1 1 1 A 35 35 ALA CB C 35 18.334 17.973 0.361 1
1 420 . 1 1 1 A 36 36 SER H H 36 8.841 8.042 0.799 1
1 421 . 1 1 1 A 36 36 SER HA H 36 4.140 4.154 -0.014 1
1 424 . 1 1 1 A 36 36 SER C C 36 177.291 176.704 0.587 1
1 425 . 1 1 1 A 36 36 SER CA C 36 61.250 61.201 0.049 1
1 426 . 1 1 1 A 36 36 SER CB C 36 61.673 62.958 -1.285 1
1 427 . 1 1 1 A 36 36 SER N N 36 111.913 113.297 -1.384 1
1 428 . 1 1 1 A 37 37 ARG H H 37 7.183 7.628 -0.445 1
1 429 . 1 1 1 A 37 37 ARG HA H 37 4.349 4.206 0.143 1
1 436 . 1 1 1 A 37 37 ARG C C 37 177.816 178.728 -0.912 1
1 437 . 1 1 1 A 37 37 ARG CA C 37 58.944 59.106 -0.162 1
1 438 . 1 1 1 A 37 37 ARG CB C 37 31.009 30.038 0.971 1
1 441 . 1 1 1 A 37 37 ARG N N 37 123.504 121.777 1.727 1
1 442 . 1 1 1 A 38 38 LYS H H 38 7.514 7.930 -0.416 1
1 443 . 1 1 1 A 38 38 LYS HA H 38 3.592 3.342 0.250 1
1 452 . 1 1 1 A 38 38 LYS C C 38 178.935 178.916 0.019 1
1 453 . 1 1 1 A 38 38 LYS CA C 38 59.846 58.951 0.895 1
1 454 . 1 1 1 A 38 38 LYS CB C 38 33.310 31.561 1.749 1
1 458 . 1 1 1 A 38 38 LYS N N 38 118.200 118.938 -0.738 1
1 459 . 1 1 1 A 39 39 ALA H H 39 8.131 8.257 -0.126 1
1 460 . 1 1 1 A 39 39 ALA HA H 39 3.865 4.084 -0.219 1
1 464 . 1 1 1 A 39 39 ALA C C 39 178.995 179.767 -0.772 1
1 465 . 1 1 1 A 39 39 ALA CA C 39 55.093 55.019 0.074 1
1 466 . 1 1 1 A 39 39 ALA CB C 39 18.124 17.766 0.358 1
1 467 . 1 1 1 A 39 39 ALA N N 39 117.547 122.264 -4.717 1
1 468 . 1 1 1 A 40 40 ALA H H 40 7.375 8.162 -0.787 1
1 469 . 1 1 1 A 40 40 ALA HA H 40 4.134 4.112 0.022 1
1 473 . 1 1 1 A 40 40 ALA C C 40 179.512 180.229 -0.717 1
1 474 . 1 1 1 A 40 40 ALA CA C 40 55.506 55.375 0.131 1
1 475 . 1 1 1 A 40 40 ALA CB C 40 18.473 18.247 0.226 1
1 476 . 1 1 1 A 40 40 ALA N N 40 119.346 119.958 -0.612 1
1 477 . 1 1 1 A 41 41 VAL H H 41 7.382 7.821 -0.439 1
1 478 . 1 1 1 A 41 41 VAL HA H 41 3.642 3.739 -0.097 1
1 486 . 1 1 1 A 41 41 VAL C C 41 177.423 178.237 -0.814 1
1 487 . 1 1 1 A 41 41 VAL CA C 41 67.279 67.042 0.237 1
1 488 . 1 1 1 A 41 41 VAL CB C 41 32.149 31.763 0.386 1
1 491 . 1 1 1 A 41 41 VAL N N 41 116.434 118.737 -2.303 1
1 492 . 1 1 1 A 42 42 VAL H H 42 8.332 8.264 0.068 1
1 493 . 1 1 1 A 42 42 VAL HA H 42 3.723 3.997 -0.274 1
1 501 . 1 1 1 A 42 42 VAL C C 42 178.381 177.881 0.500 1
1 502 . 1 1 1 A 42 42 VAL CA C 42 67.698 65.370 2.328 1
1 503 . 1 1 1 A 42 42 VAL CB C 42 32.170 31.267 0.903 1
1 506 . 1 1 1 A 42 42 VAL N N 42 118.061 120.521 -2.460 1
1 507 . 1 1 1 A 43 43 LYS H H 43 8.973 8.328 0.645 1
1 508 . 1 1 1 A 43 43 LYS HA H 43 3.977 4.165 -0.188 1
1 517 . 1 1 1 A 43 43 LYS C C 43 177.830 179.351 -1.521 1
1 518 . 1 1 1 A 43 43 LYS CA C 43 60.343 59.361 0.982 1
1 519 . 1 1 1 A 43 43 LYS CB C 43 32.863 32.460 0.403 1
1 523 . 1 1 1 A 43 43 LYS N N 43 118.026 122.398 -4.372 1
1 524 . 1 1 1 A 44 44 ALA H H 44 7.959 7.852 0.107 1
1 525 . 1 1 1 A 44 44 ALA HA H 44 3.968 4.096 -0.128 1
1 529 . 1 1 1 A 44 44 ALA C C 44 178.921 179.808 -0.887 1
1 530 . 1 1 1 A 44 44 ALA CA C 44 55.324 55.292 0.032 1
1 531 . 1 1 1 A 44 44 ALA CB C 44 19.816 18.562 1.254 1
1 532 . 1 1 1 A 44 44 ALA N N 44 119.893 122.621 -2.728 1
1 533 . 1 1 1 A 45 45 VAL H H 45 7.789 7.830 -0.041 1
1 534 . 1 1 1 A 45 45 VAL HA H 45 4.494 3.826 0.668 1
1 542 . 1 1 1 A 45 45 VAL C C 45 180.590 178.480 2.110 1
1 543 . 1 1 1 A 45 45 VAL CA C 45 64.383 66.820 -2.437 1
1 544 . 1 1 1 A 45 45 VAL CB C 45 32.456 31.528 0.928 1
1 547 . 1 1 1 A 45 45 VAL N N 45 118.569 117.830 0.739 1
1 548 . 1 1 1 A 46 46 ILE H H 46 8.945 8.301 0.644 1
1 549 . 1 1 1 A 46 46 ILE HA H 46 3.689 3.635 0.054 1
1 559 . 1 1 1 A 46 46 ILE C C 46 178.437 177.689 0.748 1
1 560 . 1 1 1 A 46 46 ILE CA C 46 65.391 64.885 0.506 1
1 561 . 1 1 1 A 46 46 ILE CB C 46 38.182 37.728 0.454 1
1 565 . 1 1 1 A 46 46 ILE N N 46 121.331 119.415 1.916 1
1 566 . 1 1 1 A 47 47 HIS H H 47 8.030 7.788 0.242 1
1 567 . 1 1 1 A 47 47 HIS HA H 47 4.663 4.584 0.079 1
1 572 . 1 1 1 A 47 47 HIS C C 47 175.308 175.312 -0.004 1
1 573 . 1 1 1 A 47 47 HIS CA C 47 56.736 56.006 0.730 1
1 574 . 1 1 1 A 47 47 HIS CB C 47 29.482 30.119 -0.637 1
1 577 . 1 1 1 A 47 47 HIS N N 47 113.700 117.011 -3.311 1
1 578 . 1 1 1 A 48 48 GLY H H 48 7.543 7.662 -0.119 1
1 579 . 1 1 1 A 48 48 GLY HA2 H 48 4.026 3.925 0.101 1
1 580 . 1 1 1 A 48 48 GLY HA3 H 48 3.904 3.932 -0.028 1
1 581 . 1 1 1 A 48 48 GLY C C 48 175.172 175.197 -0.025 1
1 582 . 1 1 1 A 48 48 GLY CA C 48 46.740 46.437 0.303 1
1 583 . 1 1 1 A 48 48 GLY N N 48 106.113 107.894 -1.781 1
1 584 . 1 1 1 A 49 49 LEU H H 49 8.803 8.081 0.722 1
1 585 . 1 1 1 A 49 49 LEU HA H 49 4.090 4.152 -0.062 1
1 595 . 1 1 1 A 49 49 LEU C C 49 176.111 176.344 -0.233 1
1 596 . 1 1 1 A 49 49 LEU CA C 49 57.575 57.313 0.262 1
1 597 . 1 1 1 A 49 49 LEU CB C 49 42.969 42.826 0.143 1
1 601 . 1 1 1 A 49 49 LEU N N 49 122.636 122.079 0.557 1
1 602 . 1 1 1 A 50 50 ILE H H 50 7.257 7.404 -0.147 1
1 603 . 1 1 1 A 50 50 ILE HA H 50 4.689 4.744 -0.055 1
1 613 . 1 1 1 A 50 50 ILE C C 50 174.994 174.199 0.795 1
1 614 . 1 1 1 A 50 50 ILE CA C 50 58.262 58.937 -0.675 1
1 615 . 1 1 1 A 50 50 ILE CB C 50 41.641 41.593 0.048 1
1 619 . 1 1 1 A 50 50 ILE N N 50 107.650 114.475 -6.825 1
1 620 . 1 1 1 A 51 51 THR H H 51 8.677 8.383 0.294 1
1 621 . 1 1 1 A 51 51 THR HA H 51 4.466 4.815 -0.349 1
1 627 . 1 1 1 A 51 51 THR C C 51 175.227 174.703 0.524 1
1 628 . 1 1 1 A 51 51 THR CA C 51 60.728 59.506 1.222 1
1 629 . 1 1 1 A 51 51 THR CB C 51 71.216 70.785 0.431 1
1 631 . 1 1 1 A 51 51 THR N N 51 111.798 115.974 -4.176 1
1 632 . 1 1 1 A 52 52 GLU H H 52 9.034 9.049 -0.015 1
1 633 . 1 1 1 A 52 52 GLU HA H 52 3.507 3.507 0.000 1
1 638 . 1 1 1 A 52 52 GLU C C 52 177.287 177.984 -0.697 1
1 639 . 1 1 1 A 52 52 GLU CA C 52 60.515 59.451 1.064 1
1 640 . 1 1 1 A 52 52 GLU CB C 52 29.418 29.146 0.272 1
1 642 . 1 1 1 A 52 52 GLU N N 52 122.067 126.054 -3.987 1
1 643 . 1 1 1 A 53 53 ARG H H 53 8.213 7.823 0.390 1
1 644 . 1 1 1 A 53 53 ARG HA H 53 3.740 4.024 -0.284 1
1 652 . 1 1 1 A 53 53 ARG C C 53 177.698 178.636 -0.938 1
1 653 . 1 1 1 A 53 53 ARG CA C 53 58.635 58.314 0.321 1
1 654 . 1 1 1 A 53 53 ARG CB C 53 30.257 30.027 0.230 1
1 658 . 1 1 1 A 53 53 ARG N N 53 116.853 119.709 -2.856 1
1 660 . 1 1 1 A 54 54 GLU H H 54 7.747 7.746 0.001 1
1 661 . 1 1 1 A 54 54 GLU HA H 54 3.978 4.047 -0.069 1
1 666 . 1 1 1 A 54 54 GLU C C 54 178.915 178.474 0.441 1
1 667 . 1 1 1 A 54 54 GLU CA C 54 59.312 58.897 0.415 1
1 668 . 1 1 1 A 54 54 GLU CB C 54 29.678 29.076 0.602 1
1 670 . 1 1 1 A 54 54 GLU N N 54 118.040 119.430 -1.390 1
1 671 . 1 1 1 A 55 55 ALA H H 55 7.932 7.831 0.101 1
1 672 . 1 1 1 A 55 55 ALA HA H 55 3.694 4.111 -0.417 1
1 676 . 1 1 1 A 55 55 ALA C C 55 178.383 180.184 -1.801 1
1 677 . 1 1 1 A 55 55 ALA CA C 55 55.871 55.155 0.716 1
1 678 . 1 1 1 A 55 55 ALA CB C 55 17.664 18.473 -0.809 1
1 679 . 1 1 1 A 55 55 ALA N N 55 122.121 122.535 -0.414 1
1 680 . 1 1 1 A 56 56 LEU H H 56 8.110 7.993 0.117 1
1 681 . 1 1 1 A 56 56 LEU HA H 56 3.605 3.754 -0.149 1
1 691 . 1 1 1 A 56 56 LEU C C 56 180.273 179.394 0.879 1
1 692 . 1 1 1 A 56 56 LEU CA C 56 58.167 57.777 0.390 1
1 693 . 1 1 1 A 56 56 LEU CB C 56 39.563 40.714 -1.151 1
1 697 . 1 1 1 A 56 56 LEU N N 56 114.908 118.352 -3.444 1
1 698 . 1 1 1 A 57 57 ASP H H 57 8.080 8.104 -0.024 1
1 699 . 1 1 1 A 57 57 ASP HA H 57 4.353 4.247 0.106 1
1 702 . 1 1 1 A 57 57 ASP C C 57 179.121 178.179 0.942 1
1 703 . 1 1 1 A 57 57 ASP CA C 57 56.644 57.664 -1.020 1
1 704 . 1 1 1 A 57 57 ASP CB C 57 40.909 41.144 -0.235 1
1 705 . 1 1 1 A 57 57 ASP N N 57 117.019 119.597 -2.578 1
1 706 . 1 1 1 A 58 58 ARG H H 58 8.584 8.103 0.481 1
1 707 . 1 1 1 A 58 58 ARG HA H 58 3.728 4.004 -0.276 1
1 715 . 1 1 1 A 58 58 ARG C C 58 177.362 176.586 0.776 1
1 716 . 1 1 1 A 58 58 ARG CA C 58 59.141 58.646 0.495 1
1 717 . 1 1 1 A 58 58 ARG CB C 58 30.462 29.829 0.633 1
1 720 . 1 1 1 A 58 58 ARG N N 58 119.926 117.852 2.074 1
1 722 . 1 1 1 A 59 59 TYR H H 59 7.133 7.546 -0.413 1
1 723 . 1 1 1 A 59 59 TYR HA H 59 5.018 4.779 0.239 1
1 730 . 1 1 1 A 59 59 TYR C C 59 173.865 174.727 -0.862 1
1 731 . 1 1 1 A 59 59 TYR CA C 59 57.348 57.775 -0.427 1
1 732 . 1 1 1 A 59 59 TYR CB C 59 38.052 39.153 -1.101 1
1 737 . 1 1 1 A 59 59 TYR N N 59 111.796 118.194 -6.398 1
1 738 . 1 1 1 A 60 60 SER H H 60 7.542 7.990 -0.448 1
1 739 . 1 1 1 A 60 60 SER HA H 60 4.082 4.137 -0.055 1
1 742 . 1 1 1 A 60 60 SER C C 60 176.402 173.014 3.388 1
1 743 . 1 1 1 A 60 60 SER CA C 60 58.482 59.001 -0.519 1
1 744 . 1 1 1 A 60 60 SER CB C 60 61.229 61.383 -0.154 1
1 745 . 1 1 1 A 60 60 SER N N 60 114.624 112.618 2.006 1
1 746 . 1 1 1 A 61 61 LEU H H 61 8.228 7.867 0.361 1
1 747 . 1 1 1 A 61 61 LEU HA H 61 4.583 4.833 -0.250 1
1 757 . 1 1 1 A 61 61 LEU C C 61 176.463 175.919 0.544 1
1 758 . 1 1 1 A 61 61 LEU CA C 61 52.478 53.281 -0.803 1
1 759 . 1 1 1 A 61 61 LEU CB C 61 45.873 45.464 0.409 1
1 763 . 1 1 1 A 61 61 LEU N N 61 119.424 121.077 -1.653 1
1 764 . 1 1 1 A 62 62 SER H H 62 8.376 8.759 -0.383 1
1 765 . 1 1 1 A 62 62 SER HA H 62 4.555 4.673 -0.118 1
1 768 . 1 1 1 A 62 62 SER C C 62 175.088 175.455 -0.367 1
1 769 . 1 1 1 A 62 62 SER CA C 62 56.123 57.152 -1.029 1
1 770 . 1 1 1 A 62 62 SER CB C 62 65.560 65.467 0.093 1
1 771 . 1 1 1 A 62 62 SER N N 62 115.890 118.034 -2.144 1
1 772 . 1 1 1 A 63 63 GLU H H 63 9.204 9.092 0.112 1
1 773 . 1 1 1 A 63 63 GLU HA H 63 3.806 3.932 -0.126 1
1 778 . 1 1 1 A 63 63 GLU C C 63 179.412 178.337 1.075 1
1 779 . 1 1 1 A 63 63 GLU CA C 63 60.338 59.683 0.655 1
1 780 . 1 1 1 A 63 63 GLU CB C 63 29.354 29.336 0.018 1
1 782 . 1 1 1 A 63 63 GLU N N 63 122.263 124.043 -1.780 1
1 783 . 1 1 1 A 64 64 GLU H H 64 8.859 8.452 0.407 1
1 784 . 1 1 1 A 64 64 GLU HA H 64 3.969 4.031 -0.062 1
1 789 . 1 1 1 A 64 64 GLU C C 64 178.700 178.915 -0.215 1
1 790 . 1 1 1 A 64 64 GLU CA C 64 59.822 59.202 0.620 1
1 791 . 1 1 1 A 64 64 GLU CB C 64 29.210 28.814 0.396 1
1 793 . 1 1 1 A 64 64 GLU N N 64 119.056 117.731 1.325 1
1 794 . 1 1 1 A 65 65 GLU H H 65 7.864 8.074 -0.210 1
1 795 . 1 1 1 A 65 65 GLU HA H 65 3.960 4.054 -0.094 1
1 800 . 1 1 1 A 65 65 GLU C C 65 177.783 178.687 -0.904 1
1 801 . 1 1 1 A 65 65 GLU CA C 65 58.817 59.435 -0.618 1
1 802 . 1 1 1 A 65 65 GLU CB C 65 29.452 29.403 0.049 1
1 804 . 1 1 1 A 65 65 GLU N N 65 121.783 120.414 1.369 1
1 805 . 1 1 1 A 66 66 PHE H H 66 7.918 7.914 0.004 1
1 806 . 1 1 1 A 66 66 PHE HA H 66 3.294 3.703 -0.409 1
1 814 . 1 1 1 A 66 66 PHE C C 66 177.021 177.938 -0.917 1
1 815 . 1 1 1 A 66 66 PHE CA C 66 61.197 61.367 -0.170 1
1 816 . 1 1 1 A 66 66 PHE CB C 66 39.279 38.987 0.292 1
1 820 . 1 1 1 A 66 66 PHE N N 66 117.902 120.709 -2.807 1
1 821 . 1 1 1 A 67 67 ALA H H 67 8.011 8.397 -0.386 1
1 822 . 1 1 1 A 67 67 ALA HA H 67 3.839 4.084 -0.245 1
1 826 . 1 1 1 A 67 67 ALA C C 67 181.069 180.000 1.069 1
1 827 . 1 1 1 A 67 67 ALA CA C 67 55.296 55.270 0.026 1
1 828 . 1 1 1 A 67 67 ALA CB C 67 17.648 18.164 -0.516 1
1 829 . 1 1 1 A 67 67 ALA N N 67 119.951 121.236 -1.285 1
1 830 . 1 1 1 A 68 68 LEU H H 68 7.431 8.055 -0.624 1
1 831 . 1 1 1 A 68 68 LEU HA H 68 4.162 4.040 0.122 1
1 841 . 1 1 1 A 68 68 LEU C C 68 180.631 179.503 1.128 1
1 842 . 1 1 1 A 68 68 LEU CA C 68 57.621 57.989 -0.368 1
1 843 . 1 1 1 A 68 68 LEU CB C 68 41.083 42.214 -1.131 1
1 847 . 1 1 1 A 68 68 LEU N N 68 119.888 118.672 1.216 1
1 848 . 1 1 1 A 69 69 TRP H H 69 8.288 8.348 -0.060 1
1 849 . 1 1 1 A 69 69 TRP HA H 69 4.341 4.244 0.097 1
1 858 . 1 1 1 A 69 69 TRP C C 69 179.178 179.243 -0.065 1
1 859 . 1 1 1 A 69 69 TRP CA C 69 59.228 60.352 -1.124 1
1 860 . 1 1 1 A 69 69 TRP CB C 69 28.387 28.817 -0.430 1
1 866 . 1 1 1 A 69 69 TRP N N 69 122.616 118.793 3.823 1
1 868 . 1 1 1 A 70 70 ARG H H 70 8.291 8.196 0.095 1
1 869 . 1 1 1 A 70 70 ARG HA H 70 3.743 4.012 -0.269 1
1 877 . 1 1 1 A 70 70 ARG C C 70 178.811 178.154 0.657 1
1 878 . 1 1 1 A 70 70 ARG CA C 70 59.614 58.598 1.016 1
1 879 . 1 1 1 A 70 70 ARG CB C 70 30.171 29.814 0.357 1
1 882 . 1 1 1 A 70 70 ARG N N 70 117.864 118.067 -0.203 1
1 884 . 1 1 1 A 71 71 SER H H 71 8.000 7.719 0.281 1
1 885 . 1 1 1 A 71 71 SER HA H 71 4.212 4.388 -0.176 1
1 888 . 1 1 1 A 71 71 SER C C 71 176.074 175.288 0.786 1
1 889 . 1 1 1 A 71 71 SER CA C 71 61.074 61.308 -0.234 1
1 890 . 1 1 1 A 71 71 SER CB C 71 62.891 63.503 -0.612 1
1 891 . 1 1 1 A 71 71 SER N N 71 114.582 117.097 -2.515 1
1 892 . 1 1 1 A 72 72 ALA H H 72 7.816 7.849 -0.033 1
1 893 . 1 1 1 A 72 72 ALA HA H 72 4.230 3.774 0.456 1
1 897 . 1 1 1 A 72 72 ALA C C 72 179.631 177.721 1.910 1
1 898 . 1 1 1 A 72 72 ALA CA C 72 54.245 53.315 0.930 1
1 899 . 1 1 1 A 72 72 ALA CB C 72 18.687 18.694 -0.007 1
1 900 . 1 1 1 A 72 72 ALA N N 72 124.141 122.705 1.436 1
1 901 . 1 1 1 A 73 73 VAL H H 73 7.728 7.326 0.402 1
1 902 . 1 1 1 A 73 73 VAL HA H 73 3.850 4.099 -0.249 1
1 910 . 1 1 1 A 73 73 VAL C C 73 177.286 177.547 -0.261 1
1 911 . 1 1 1 A 73 73 VAL CA C 73 64.163 63.876 0.287 1
1 912 . 1 1 1 A 73 73 VAL CB C 73 32.466 32.242 0.224 1
1 915 . 1 1 1 A 73 73 VAL N N 73 117.289 116.327 0.962 1
1 916 . 1 1 1 A 74 74 ALA H H 74 7.960 7.698 0.262 1
1 917 . 1 1 1 A 74 74 ALA HA H 74 4.195 4.077 0.118 1
1 921 . 1 1 1 A 74 74 ALA C C 74 178.318 177.778 0.540 1
1 922 . 1 1 1 A 74 74 ALA CA C 74 53.559 55.173 -1.614 1
1 923 . 1 1 1 A 74 74 ALA CB C 74 18.612 18.614 -0.002 1
1 924 . 1 1 1 A 74 74 ALA N N 74 123.977 122.091 1.886 1
1 925 . 1 1 1 A 75 75 ALA H H 75 7.889 7.459 0.430 1
1 926 . 1 1 1 A 75 75 ALA HA H 75 4.214 4.445 -0.231 1
1 930 . 1 1 1 A 75 75 ALA C C 75 178.233 177.790 0.443 1
1 931 . 1 1 1 A 75 75 ALA CA C 75 53.242 51.070 2.172 1
1 932 . 1 1 1 A 75 75 ALA CB C 75 18.812 19.305 -0.493 1
1 933 . 1 1 1 A 75 75 ALA N N 75 120.956 118.414 2.542 1
1 934 . 1 1 1 A 76 76 HIS H H 76 8.057 7.687 0.370 1
1 935 . 1 1 1 A 76 76 HIS HA H 76 4.585 4.372 0.213 1
1 939 . 1 1 1 A 76 76 HIS C C 76 176.217 176.689 -0.472 1
1 940 . 1 1 1 A 76 76 HIS CA C 76 56.644 57.970 -1.326 1
1 941 . 1 1 1 A 76 76 HIS CB C 76 30.282 30.483 -0.201 1
1 943 . 1 1 1 A 76 76 HIS N N 76 117.302 117.690 -0.388 1
1 944 . 1 1 1 A 77 77 GLY H H 77 8.229 8.122 0.107 1
1 945 . 1 1 1 A 77 77 GLY HA2 H 77 3.951 3.792 0.159 1
1 946 . 1 1 1 A 77 77 GLY HA3 H 77 3.951 3.812 0.139 1
1 947 . 1 1 1 A 77 77 GLY C C 77 174.415 175.305 -0.890 1
1 948 . 1 1 1 A 77 77 GLY CA C 77 45.560 46.487 -0.927 1
1 949 . 1 1 1 A 77 77 GLY N N 77 109.118 105.633 3.485 1
1 950 . 1 1 1 A 78 78 GLU H H 78 8.335 8.049 0.286 1
1 951 . 1 1 1 A 78 78 GLU HA H 78 4.210 4.281 -0.071 1
1 956 . 1 1 1 A 78 78 GLU C C 78 177.052 177.464 -0.412 1
1 957 . 1 1 1 A 78 78 GLU CA C 78 56.836 56.354 0.482 1
1 958 . 1 1 1 A 78 78 GLU CB C 78 30.136 28.768 1.368 1
1 960 . 1 1 1 A 78 78 GLU N N 78 120.947 119.197 1.750 1
1 961 . 1 1 1 A 79 79 LYS H H 79 8.299 7.810 0.489 1
1 962 . 1 1 1 A 79 79 LYS HA H 79 4.205 4.115 0.090 1
1 971 . 1 1 1 A 79 79 LYS C C 79 176.656 177.046 -0.390 1
1 972 . 1 1 1 A 79 79 LYS CA C 79 57.057 58.655 -1.598 1
1 973 . 1 1 1 A 79 79 LYS CB C 79 32.811 32.839 -0.028 1
1 977 . 1 1 1 A 79 79 LYS N N 79 121.638 119.823 1.815 1
1 978 . 1 1 1 A 80 80 ALA H H 80 8.142 7.670 0.472 1
1 979 . 1 1 1 A 80 80 ALA HA H 80 4.245 4.694 -0.449 1
1 983 . 1 1 1 A 80 80 ALA C C 80 177.868 175.717 2.151 1
1 984 . 1 1 1 A 80 80 ALA CA C 80 52.706 51.303 1.403 1
1 985 . 1 1 1 A 80 80 ALA CB C 80 19.117 22.261 -3.144 1
1 986 . 1 1 1 A 80 80 ALA N N 80 123.770 117.514 6.256 1
1 987 . 1 1 1 A 81 81 LEU H H 81 8.040 8.723 -0.683 1
1 988 . 1 1 1 A 81 81 LEU HA H 81 4.245 4.631 -0.386 1
1 998 . 1 1 1 A 81 81 LEU C C 81 177.434 176.433 1.001 1
1 999 . 1 1 1 A 81 81 LEU CA C 81 55.673 54.641 1.032 1
1 1000 . 1 1 1 A 81 81 LEU CB C 81 42.160 40.847 1.313 1
1 1004 . 1 1 1 A 81 81 LEU N N 81 120.893 124.138 -3.245 1
1 1005 . 1 1 1 A 82 82 LYS H H 82 8.178 8.351 -0.173 1
1 1006 . 1 1 1 A 82 82 LYS HA H 82 4.283 4.136 0.147 1
1 1015 . 1 1 1 A 82 82 LYS C C 82 176.810 177.879 -1.069 1
1 1016 . 1 1 1 A 82 82 LYS CA C 82 56.715 56.800 -0.085 1
1 1017 . 1 1 1 A 82 82 LYS CB C 82 32.846 33.672 -0.826 1
1 1021 . 1 1 1 A 82 82 LYS N N 82 121.957 125.105 -3.148 1
1 1022 . 1 1 1 A 83 83 VAL H H 83 8.123 8.543 -0.420 1
1 1023 . 1 1 1 A 83 83 VAL HA H 83 4.093 3.906 0.187 1
1 1031 . 1 1 1 A 83 83 VAL C C 83 176.604 177.546 -0.942 1
1 1032 . 1 1 1 A 83 83 VAL CA C 83 62.964 65.280 -2.316 1
1 1033 . 1 1 1 A 83 83 VAL CB C 83 32.742 31.782 0.960 1
1 1036 . 1 1 1 A 83 83 VAL N N 83 121.150 127.237 -6.087 1
1 1037 . 1 1 1 A 84 84 THR H H 84 8.162 7.821 0.341 1
1 1038 . 1 1 1 A 84 84 THR HA H 84 4.276 4.246 0.030 1
1 1043 . 1 1 1 A 84 84 THR C C 84 174.773 175.715 -0.942 1
1 1044 . 1 1 1 A 84 84 THR CA C 84 62.558 64.700 -2.142 1
1 1045 . 1 1 1 A 84 84 THR CB C 84 69.726 68.609 1.117 1
1 1047 . 1 1 1 A 84 84 THR N N 84 117.587 115.740 1.847 1
1 1048 . 1 1 1 A 85 85 MET H H 85 8.353 8.107 0.246 1
1 1049 . 1 1 1 A 85 85 MET HA H 85 4.448 4.093 0.355 1
1 1054 . 1 1 1 A 85 85 MET C C 85 176.518 178.171 -1.653 1
1 1055 . 1 1 1 A 85 85 MET CA C 85 56.074 57.653 -1.579 1
1 1056 . 1 1 1 A 85 85 MET CB C 85 32.837 32.148 0.689 1
1 1058 . 1 1 1 A 85 85 MET N N 85 122.707 120.550 2.157 1
1 1059 . 1 1 1 A 86 86 ILE H H 86 8.113 7.966 0.147 1
1 1060 . 1 1 1 A 86 86 ILE HA H 86 4.061 3.749 0.312 1
1 1070 . 1 1 1 A 86 86 ILE C C 86 176.712 177.932 -1.220 1
1 1071 . 1 1 1 A 86 86 ILE CA C 86 62.006 65.077 -3.071 1
1 1072 . 1 1 1 A 86 86 ILE CB C 86 38.402 37.093 1.309 1
1 1076 . 1 1 1 A 86 86 ILE N N 86 121.834 119.407 2.427 1
1 1077 . 1 1 1 A 87 87 GLN H H 87 8.328 8.214 0.114 1
1 1078 . 1 1 1 A 87 87 GLN HA H 87 4.190 3.933 0.257 1
1 1085 . 1 1 1 A 87 87 GLN C C 87 176.617 178.022 -1.405 1
1 1086 . 1 1 1 A 87 87 GLN CA C 87 56.798 59.096 -2.298 1
1 1087 . 1 1 1 A 87 87 GLN CB C 87 29.044 28.043 1.001 1
1 1089 . 1 1 1 A 87 87 GLN N N 87 123.529 120.708 2.821 1
1 1091 . 1 1 1 A 88 88 LYS H H 88 8.232 7.285 0.947 1
1 1092 . 1 1 1 A 88 88 LYS HA H 88 4.133 3.881 0.252 1
1 1101 . 1 1 1 A 88 88 LYS C C 88 176.983 179.164 -2.181 1
1 1102 . 1 1 1 A 88 88 LYS CA C 88 57.289 59.228 -1.939 1
1 1103 . 1 1 1 A 88 88 LYS CB C 88 32.806 31.901 0.905 1
1 1107 . 1 1 1 A 88 88 LYS N N 88 121.677 118.892 2.785 1
1 1108 . 1 1 1 A 89 89 TYR H H 89 8.086 7.389 0.697 1
1 1109 . 1 1 1 A 89 89 TYR HA H 89 4.492 4.433 0.059 1
1 1116 . 1 1 1 A 89 89 TYR C C 89 176.250 178.162 -1.912 1
1 1117 . 1 1 1 A 89 89 TYR CA C 89 58.546 61.858 -3.312 1
1 1118 . 1 1 1 A 89 89 TYR CB C 89 38.410 37.278 1.132 1
1 1123 . 1 1 1 A 89 89 TYR N N 89 119.993 118.641 1.352 1
1 1124 . 1 1 1 A 90 90 ARG H H 90 8.127 7.745 0.382 1
1 1125 . 1 1 1 A 90 90 ARG HA H 90 4.119 4.158 -0.039 1
1 1132 . 1 1 1 A 90 90 ARG C C 90 176.628 178.136 -1.508 1
1 1133 . 1 1 1 A 90 90 ARG CA C 90 57.085 58.710 -1.625 1
1 1134 . 1 1 1 A 90 90 ARG CB C 90 30.568 30.473 0.095 1
1 1137 . 1 1 1 A 90 90 ARG N N 90 121.679 121.084 0.595 1
1 1138 . 1 1 1 A 91 91 GLN H H 91 8.232 7.760 0.472 1
1 1139 . 1 1 1 A 91 91 GLN HA H 91 4.179 4.125 0.054 1
1 1146 . 1 1 1 A 91 91 GLN C C 91 176.491 175.583 0.908 1
1 1147 . 1 1 1 A 91 91 GLN CA C 91 56.800 57.968 -1.168 1
1 1148 . 1 1 1 A 91 91 GLN CB C 91 29.129 29.239 -0.110 1
1 1150 . 1 1 1 A 91 91 GLN N N 91 120.420 118.232 2.188 1
1 1152 . 1 1 1 A 92 92 LEU H H 92 8.118 7.698 0.420 1
1 1153 . 1 1 1 A 92 92 LEU HA H 92 4.269 4.353 -0.084 1
1 1162 . 1 1 1 A 92 92 LEU C C 92 177.632 175.342 2.290 1
1 1163 . 1 1 1 A 92 92 LEU CA C 92 55.419 54.926 0.493 1
1 1164 . 1 1 1 A 92 92 LEU CB C 92 42.238 42.706 -0.468 1
1 1167 . 1 1 1 A 92 92 LEU N N 92 122.670 120.087 2.583 1
1 1168 . 1 1 1 A 93 93 HIS H H 93 8.049 8.809 -0.760 1
1 1169 . 1 1 1 A 93 93 HIS HA H 93 4.228 5.092 -0.864 1
1 1172 . 1 1 1 A 93 93 HIS C C 93 177.608 175.818 1.790 1
1 1173 . 1 1 1 A 93 93 HIS CA C 93 55.512 54.812 0.700 1
1 1174 . 1 1 1 A 93 93 HIS CB C 93 42.238 31.308 10.930 1
1 1175 . 1 1 1 A 93 93 HIS N N 93 121.742 125.810 -4.068 1
1 1176 . 1 1 1 A 94 94 HIS H H 94 8.153 9.101 -0.948 1
1 1177 . 1 1 1 A 94 94 HIS HA H 94 4.141 4.181 -0.040 1
1 1180 . 1 1 1 A 94 94 HIS CA C 94 56.804 56.893 -0.089 1
1 1181 . 1 1 1 A 94 94 HIS CB C 94 30.254 28.199 2.055 1
1 1182 . 1 1 1 A 94 94 HIS N N 94 120.504 122.169 -1.665 1
1 1 . 2 1 1 A 2 2 TYR HA H 2 4.593 4.231 0.362 1
1 8 . 2 1 1 A 2 2 TYR C C 2 174.805 175.590 -0.785 1
1 9 . 2 1 1 A 2 2 TYR CA C 2 57.884 61.057 -3.173 1
1 10 . 2 1 1 A 2 2 TYR CB C 2 38.790 36.901 1.889 1
1 15 . 2 1 1 A 3 3 LEU H H 3 8.189 8.245 -0.056 1
1 16 . 2 1 1 A 3 3 LEU HA H 3 4.268 3.893 0.375 1
1 25 . 2 1 1 A 3 3 LEU C C 3 176.110 176.771 -0.661 1
1 26 . 2 1 1 A 3 3 LEU CA C 3 54.574 55.885 -1.311 1
1 27 . 2 1 1 A 3 3 LEU CB C 3 42.796 40.095 2.701 1
1 30 . 2 1 1 A 3 3 LEU N N 3 126.201 120.577 5.624 1
1 31 . 2 1 1 A 4 4 LYS H H 4 8.132 8.037 0.095 1
1 32 . 2 1 1 A 4 4 LYS HA H 4 4.336 4.632 -0.296 1
1 35 . 2 1 1 A 4 4 LYS C C 4 175.828 175.694 0.134 1
1 36 . 2 1 1 A 4 4 LYS CA C 4 56.186 55.312 0.874 1
1 37 . 2 1 1 A 4 4 LYS CB C 4 33.084 33.232 -0.148 1
1 38 . 2 1 1 A 4 4 LYS N N 4 123.332 116.462 6.870 1
1 39 . 2 1 1 A 5 5 ARG H H 5 8.537 7.618 0.919 1
1 40 . 2 1 1 A 5 5 ARG HA H 5 4.327 4.432 -0.105 1
1 47 . 2 1 1 A 5 5 ARG C C 5 176.158 175.635 0.523 1
1 48 . 2 1 1 A 5 5 ARG CA C 5 56.076 56.381 -0.305 1
1 49 . 2 1 1 A 5 5 ARG CB C 5 31.028 30.249 0.779 1
1 52 . 2 1 1 A 5 5 ARG N N 5 124.828 122.938 1.890 1
1 53 . 2 1 1 A 6 6 VAL H H 6 8.344 8.397 -0.053 1
1 54 . 2 1 1 A 6 6 VAL HA H 6 4.154 4.123 0.031 1
1 62 . 2 1 1 A 6 6 VAL C C 6 175.662 175.327 0.335 1
1 63 . 2 1 1 A 6 6 VAL CA C 6 61.973 63.416 -1.443 1
1 64 . 2 1 1 A 6 6 VAL CB C 6 32.937 32.807 0.130 1
1 66 . 2 1 1 A 6 6 VAL N N 6 122.153 125.980 -3.827 1
1 67 . 2 1 1 A 7 7 ASP H H 7 8.469 8.227 0.242 1
1 68 . 2 1 1 A 7 7 ASP HA H 7 4.681 4.245 0.436 1
1 71 . 2 1 1 A 7 7 ASP C C 7 176.217 175.111 1.106 1
1 72 . 2 1 1 A 7 7 ASP CA C 7 54.202 54.936 -0.734 1
1 73 . 2 1 1 A 7 7 ASP CB C 7 41.583 39.721 1.862 1
1 74 . 2 1 1 A 7 7 ASP N N 7 124.555 121.866 2.689 1
1 75 . 2 1 1 A 8 8 GLY H H 8 8.185 8.314 -0.129 1
1 76 . 2 1 1 A 8 8 GLY HA2 H 8 4.184 4.055 0.129 1
1 77 . 2 1 1 A 8 8 GLY HA3 H 8 4.070 4.059 0.011 1
1 78 . 2 1 1 A 8 8 GLY C C 8 171.436 172.916 -1.480 1
1 79 . 2 1 1 A 8 8 GLY CA C 8 44.634 44.277 0.357 1
1 80 . 2 1 1 A 8 8 GLY N N 8 109.085 109.567 -0.482 1
1 81 . 2 1 1 A 9 9 PRO HA H 9 4.510 4.619 -0.109 1
1 88 . 2 1 1 A 9 9 PRO C C 9 176.784 176.526 0.258 1
1 89 . 2 1 1 A 9 9 PRO CA C 9 62.869 62.640 0.229 1
1 90 . 2 1 1 A 9 9 PRO CB C 9 32.364 33.031 -0.667 1
1 93 . 2 1 1 A 10 10 ARG H H 10 8.761 8.985 -0.224 1
1 94 . 2 1 1 A 10 10 ARG HA H 10 4.165 4.422 -0.257 1
1 99 . 2 1 1 A 10 10 ARG C C 10 175.911 176.008 -0.097 1
1 100 . 2 1 1 A 10 10 ARG CA C 10 57.463 56.887 0.576 1
1 101 . 2 1 1 A 10 10 ARG CB C 10 31.030 31.736 -0.706 1
1 103 . 2 1 1 A 10 10 ARG N N 10 120.390 118.980 1.410 1
1 104 . 2 1 1 A 11 11 GLN H H 11 7.790 7.868 -0.078 1
1 105 . 2 1 1 A 11 11 GLN HA H 11 5.173 5.037 0.136 1
1 112 . 2 1 1 A 11 11 GLN C C 11 173.893 173.742 0.151 1
1 113 . 2 1 1 A 11 11 GLN CA C 11 54.402 54.665 -0.263 1
1 114 . 2 1 1 A 11 11 GLN CB C 11 31.366 31.951 -0.585 1
1 116 . 2 1 1 A 11 11 GLN N N 11 114.694 115.801 -1.107 1
1 118 . 2 1 1 A 12 12 VAL H H 12 8.803 9.134 -0.331 1
1 119 . 2 1 1 A 12 12 VAL HA H 12 4.625 4.925 -0.300 1
1 127 . 2 1 1 A 12 12 VAL C C 12 173.796 174.221 -0.425 1
1 128 . 2 1 1 A 12 12 VAL CA C 12 60.127 59.340 0.787 1
1 129 . 2 1 1 A 12 12 VAL CB C 12 35.590 35.575 0.015 1
1 132 . 2 1 1 A 12 12 VAL N N 12 115.575 117.424 -1.849 1
1 133 . 2 1 1 A 13 13 THR H H 13 8.553 8.667 -0.114 1
1 134 . 2 1 1 A 13 13 THR HA H 13 4.772 4.697 0.075 1
1 139 . 2 1 1 A 13 13 THR C C 13 174.526 173.874 0.652 1
1 140 . 2 1 1 A 13 13 THR CA C 13 61.880 61.826 0.054 1
1 141 . 2 1 1 A 13 13 THR CB C 13 69.319 69.828 -0.509 1
1 143 . 2 1 1 A 13 13 THR N N 13 119.282 118.422 0.860 1
1 144 . 2 1 1 A 14 14 LEU H H 14 9.254 8.795 0.459 1
1 145 . 2 1 1 A 14 14 LEU HA H 14 4.210 4.575 -0.365 1
1 155 . 2 1 1 A 14 14 LEU C C 14 177.361 176.662 0.699 1
1 156 . 2 1 1 A 14 14 LEU CA C 14 54.116 52.572 1.544 1
1 157 . 2 1 1 A 14 14 LEU CB C 14 39.546 42.074 -2.528 1
1 161 . 2 1 1 A 14 14 LEU N N 14 129.147 126.920 2.227 1
1 162 . 2 1 1 A 15 15 PRO HA H 15 4.294 4.113 0.181 1
1 169 . 2 1 1 A 15 15 PRO C C 15 176.570 177.519 -0.949 1
1 170 . 2 1 1 A 15 15 PRO CA C 15 65.392 64.443 0.949 1
1 171 . 2 1 1 A 15 15 PRO CB C 15 31.808 31.656 0.152 1
1 174 . 2 1 1 A 16 16 ASP H H 16 7.397 8.063 -0.666 1
1 175 . 2 1 1 A 16 16 ASP HA H 16 4.486 4.823 -0.337 1
1 178 . 2 1 1 A 16 16 ASP C C 16 177.056 176.642 0.414 1
1 179 . 2 1 1 A 16 16 ASP CA C 16 53.157 53.389 -0.232 1
1 180 . 2 1 1 A 16 16 ASP CB C 16 39.987 40.253 -0.266 1
1 181 . 2 1 1 A 16 16 ASP N N 16 113.036 114.660 -1.624 1
1 182 . 2 1 1 A 17 17 GLY H H 17 8.399 7.992 0.407 1
1 183 . 2 1 1 A 17 17 GLY HA2 H 17 4.293 3.970 0.323 1
1 184 . 2 1 1 A 17 17 GLY HA3 H 17 3.481 3.986 -0.505 1
1 185 . 2 1 1 A 17 17 GLY C C 17 174.700 174.243 0.457 1
1 186 . 2 1 1 A 17 17 GLY CA C 17 44.998 45.121 -0.123 1
1 187 . 2 1 1 A 17 17 GLY N N 17 108.859 108.103 0.756 1
1 188 . 2 1 1 A 18 18 THR H H 18 8.003 7.812 0.191 1
1 189 . 2 1 1 A 18 18 THR HA H 18 4.151 4.544 -0.393 1
1 194 . 2 1 1 A 18 18 THR C C 18 172.576 173.551 -0.975 1
1 195 . 2 1 1 A 18 18 THR CA C 18 63.144 61.888 1.256 1
1 196 . 2 1 1 A 18 18 THR CB C 18 69.888 70.046 -0.158 1
1 198 . 2 1 1 A 18 18 THR N N 18 116.015 117.151 -1.136 1
1 199 . 2 1 1 A 19 19 VAL H H 19 8.384 8.548 -0.164 1
1 200 . 2 1 1 A 19 19 VAL HA H 19 4.726 4.791 -0.065 1
1 208 . 2 1 1 A 19 19 VAL C C 19 175.823 173.825 1.998 1
1 209 . 2 1 1 A 19 19 VAL CA C 19 61.491 60.929 0.562 1
1 210 . 2 1 1 A 19 19 VAL CB C 19 33.757 33.887 -0.130 1
1 213 . 2 1 1 A 19 19 VAL N N 19 121.723 121.501 0.222 1
1 214 . 2 1 1 A 20 20 LEU H H 20 8.948 9.259 -0.311 1
1 215 . 2 1 1 A 20 20 LEU HA H 20 4.784 5.188 -0.404 1
1 225 . 2 1 1 A 20 20 LEU C C 20 174.749 176.138 -1.389 1
1 226 . 2 1 1 A 20 20 LEU CA C 20 53.616 53.444 0.172 1
1 227 . 2 1 1 A 20 20 LEU CB C 20 45.062 44.541 0.521 1
1 231 . 2 1 1 A 20 20 LEU N N 20 129.673 130.684 -1.011 1
1 232 . 2 1 1 A 21 21 SER H H 21 9.246 9.037 0.209 1
1 233 . 2 1 1 A 21 21 SER HA H 21 5.207 5.207 0.000 1
1 236 . 2 1 1 A 21 21 SER C C 21 176.047 176.193 -0.146 1
1 237 . 2 1 1 A 21 21 SER CA C 21 56.523 56.588 -0.065 1
1 238 . 2 1 1 A 21 21 SER CB C 21 66.369 66.220 0.149 1
1 239 . 2 1 1 A 21 21 SER N N 21 120.387 119.126 1.261 1
1 240 . 2 1 1 A 22 22 ARG H H 22 8.847 8.937 -0.090 1
1 241 . 2 1 1 A 22 22 ARG HA H 22 3.868 4.237 -0.369 1
1 248 . 2 1 1 A 22 22 ARG C C 22 178.388 177.269 1.119 1
1 249 . 2 1 1 A 22 22 ARG CA C 22 60.207 58.861 1.346 1
1 250 . 2 1 1 A 22 22 ARG CB C 22 29.118 29.846 -0.728 1
1 253 . 2 1 1 A 22 22 ARG N N 22 122.878 121.047 1.831 1
1 254 . 2 1 1 A 23 23 ALA H H 23 8.243 7.877 0.366 1
1 255 . 2 1 1 A 23 23 ALA HA H 23 4.175 4.241 -0.066 1
1 259 . 2 1 1 A 23 23 ALA C C 23 177.763 178.260 -0.497 1
1 260 . 2 1 1 A 23 23 ALA CA C 23 54.000 53.428 0.572 1
1 261 . 2 1 1 A 23 23 ALA CB C 23 18.461 19.006 -0.545 1
1 262 . 2 1 1 A 23 23 ALA N N 23 121.050 122.087 -1.037 1
1 263 . 2 1 1 A 24 24 ASP H H 24 7.597 7.713 -0.116 1
1 264 . 2 1 1 A 24 24 ASP HA H 24 4.632 4.693 -0.061 1
1 267 . 2 1 1 A 24 24 ASP C C 24 176.608 176.825 -0.217 1
1 268 . 2 1 1 A 24 24 ASP CA C 24 54.726 55.141 -0.415 1
1 269 . 2 1 1 A 24 24 ASP CB C 24 42.026 41.491 0.535 1
1 270 . 2 1 1 A 24 24 ASP N N 24 115.095 116.425 -1.330 1
1 271 . 2 1 1 A 25 25 LEU H H 25 7.311 7.409 -0.098 1
1 272 . 2 1 1 A 25 25 LEU HA H 25 4.402 4.480 -0.078 1
1 282 . 2 1 1 A 25 25 LEU C C 25 174.724 174.856 -0.132 1
1 283 . 2 1 1 A 25 25 LEU CA C 25 53.307 53.839 -0.532 1
1 284 . 2 1 1 A 25 25 LEU CB C 25 40.047 41.745 -1.698 1
1 288 . 2 1 1 A 25 25 LEU N N 25 119.781 122.924 -3.143 1
1 289 . 2 1 1 A 26 26 PRO HA H 26 4.745 4.676 0.069 1
1 296 . 2 1 1 A 26 26 PRO CA C 26 61.496 61.713 -0.217 1
1 297 . 2 1 1 A 26 26 PRO CB C 26 30.700 31.567 -0.867 1
1 300 . 2 1 1 A 27 27 PRO HA H 27 4.598 4.625 -0.027 1
1 307 . 2 1 1 A 27 27 PRO C C 27 178.036 177.925 0.111 1
1 308 . 2 1 1 A 27 27 PRO CA C 27 62.923 62.714 0.209 1
1 309 . 2 1 1 A 27 27 PRO CB C 27 32.758 32.293 0.465 1
1 312 . 2 1 1 A 28 28 LEU H H 28 8.880 8.571 0.309 1
1 313 . 2 1 1 A 28 28 LEU HA H 28 4.177 4.307 -0.130 1
1 323 . 2 1 1 A 28 28 LEU C C 28 176.873 177.687 -0.814 1
1 324 . 2 1 1 A 28 28 LEU CA C 28 57.833 57.687 0.146 1
1 325 . 2 1 1 A 28 28 LEU CB C 28 41.291 41.591 -0.300 1
1 329 . 2 1 1 A 28 28 LEU N N 28 122.643 123.418 -0.775 1
1 330 . 2 1 1 A 29 29 ASP H H 29 8.203 7.647 0.556 1
1 331 . 2 1 1 A 29 29 ASP HA H 29 4.615 4.674 -0.059 1
1 334 . 2 1 1 A 29 29 ASP C C 29 176.158 176.378 -0.220 1
1 335 . 2 1 1 A 29 29 ASP CA C 29 53.098 53.618 -0.520 1
1 336 . 2 1 1 A 29 29 ASP CB C 29 39.311 40.998 -1.687 1
1 337 . 2 1 1 A 29 29 ASP N N 29 115.741 116.833 -1.092 1
1 338 . 2 1 1 A 30 30 THR H H 30 7.516 7.285 0.231 1
1 339 . 2 1 1 A 30 30 THR HA H 30 3.599 4.067 -0.468 1
1 344 . 2 1 1 A 30 30 THR C C 30 174.366 173.964 0.402 1
1 345 . 2 1 1 A 30 30 THR CA C 30 65.815 63.387 2.428 1
1 346 . 2 1 1 A 30 30 THR CB C 30 69.989 67.890 2.099 1
1 348 . 2 1 1 A 30 30 THR N N 30 116.808 114.464 2.344 1
1 349 . 2 1 1 A 31 31 ARG H H 31 8.482 8.981 -0.499 1
1 350 . 2 1 1 A 31 31 ARG HA H 31 4.583 4.591 -0.008 1
1 358 . 2 1 1 A 31 31 ARG CA C 31 55.399 57.161 -1.762 1
1 359 . 2 1 1 A 31 31 ARG CB C 31 32.296 32.214 0.082 1
1 362 . 2 1 1 A 31 31 ARG N N 31 124.991 128.318 -3.327 1
1 364 . 2 1 1 A 32 32 ARG HA H 32 4.523 4.416 0.107 1
1 372 . 2 1 1 A 32 32 ARG C C 32 175.341 175.810 -0.469 1
1 373 . 2 1 1 A 32 32 ARG CA C 32 54.759 55.952 -1.193 1
1 374 . 2 1 1 A 32 32 ARG CB C 32 30.348 29.164 1.184 1
1 378 . 2 1 1 A 33 33 TRP H H 33 8.923 8.604 0.319 1
1 379 . 2 1 1 A 33 33 TRP HA H 33 4.292 4.764 -0.472 1
1 388 . 2 1 1 A 33 33 TRP C C 33 176.208 176.251 -0.043 1
1 389 . 2 1 1 A 33 33 TRP CA C 33 56.923 58.339 -1.416 1
1 390 . 2 1 1 A 33 33 TRP CB C 33 28.492 30.625 -2.133 1
1 396 . 2 1 1 A 33 33 TRP N N 33 128.804 125.205 3.599 1
1 398 . 2 1 1 A 34 34 VAL H H 34 6.953 8.684 -1.731 1
1 399 . 2 1 1 A 34 34 VAL HA H 34 4.451 4.710 -0.259 1
1 407 . 2 1 1 A 34 34 VAL C C 34 177.217 176.688 0.529 1
1 408 . 2 1 1 A 34 34 VAL CA C 34 60.180 59.454 0.726 1
1 409 . 2 1 1 A 34 34 VAL CB C 34 32.686 34.868 -2.182 1
1 412 . 2 1 1 A 34 34 VAL N N 34 114.683 118.530 -3.847 1
1 413 . 2 1 1 A 35 35 ALA HA H 35 3.745 3.883 -0.138 1
1 417 . 2 1 1 A 35 35 ALA C C 35 180.114 179.685 0.429 1
1 418 . 2 1 1 A 35 35 ALA CA C 35 56.618 55.600 1.018 1
1 419 . 2 1 1 A 35 35 ALA CB C 35 18.334 18.013 0.321 1
1 420 . 2 1 1 A 36 36 SER H H 36 8.841 8.058 0.783 1
1 421 . 2 1 1 A 36 36 SER HA H 36 4.140 4.138 0.002 1
1 424 . 2 1 1 A 36 36 SER C C 36 177.291 176.574 0.717 1
1 425 . 2 1 1 A 36 36 SER CA C 36 61.250 60.806 0.444 1
1 426 . 2 1 1 A 36 36 SER CB C 36 61.673 62.895 -1.222 1
1 427 . 2 1 1 A 36 36 SER N N 36 111.913 113.183 -1.270 1
1 428 . 2 1 1 A 37 37 ARG H H 37 7.183 7.755 -0.572 1
1 429 . 2 1 1 A 37 37 ARG HA H 37 4.349 4.198 0.151 1
1 436 . 2 1 1 A 37 37 ARG C C 37 177.816 178.735 -0.919 1
1 437 . 2 1 1 A 37 37 ARG CA C 37 58.944 59.195 -0.251 1
1 438 . 2 1 1 A 37 37 ARG CB C 37 31.009 29.939 1.070 1
1 441 . 2 1 1 A 37 37 ARG N N 37 123.504 121.761 1.743 1
1 442 . 2 1 1 A 38 38 LYS H H 38 7.514 7.877 -0.363 1
1 443 . 2 1 1 A 38 38 LYS HA H 38 3.592 3.291 0.301 1
1 452 . 2 1 1 A 38 38 LYS C C 38 178.935 178.784 0.151 1
1 453 . 2 1 1 A 38 38 LYS CA C 38 59.846 59.031 0.815 1
1 454 . 2 1 1 A 38 38 LYS CB C 38 33.310 31.606 1.704 1
1 458 . 2 1 1 A 38 38 LYS N N 38 118.200 118.978 -0.778 1
1 459 . 2 1 1 A 39 39 ALA H H 39 8.131 8.076 0.055 1
1 460 . 2 1 1 A 39 39 ALA HA H 39 3.865 4.022 -0.157 1
1 464 . 2 1 1 A 39 39 ALA C C 39 178.995 179.704 -0.709 1
1 465 . 2 1 1 A 39 39 ALA CA C 39 55.093 55.042 0.051 1
1 466 . 2 1 1 A 39 39 ALA CB C 39 18.124 17.790 0.334 1
1 467 . 2 1 1 A 39 39 ALA N N 39 117.547 122.199 -4.652 1
1 468 . 2 1 1 A 40 40 ALA H H 40 7.375 7.950 -0.575 1
1 469 . 2 1 1 A 40 40 ALA HA H 40 4.134 4.107 0.027 1
1 473 . 2 1 1 A 40 40 ALA C C 40 179.512 180.220 -0.708 1
1 474 . 2 1 1 A 40 40 ALA CA C 40 55.506 55.362 0.144 1
1 475 . 2 1 1 A 40 40 ALA CB C 40 18.473 18.234 0.239 1
1 476 . 2 1 1 A 40 40 ALA N N 40 119.346 119.929 -0.583 1
1 477 . 2 1 1 A 41 41 VAL H H 41 7.382 7.820 -0.438 1
1 478 . 2 1 1 A 41 41 VAL HA H 41 3.642 3.756 -0.114 1
1 486 . 2 1 1 A 41 41 VAL C C 41 177.423 178.234 -0.811 1
1 487 . 2 1 1 A 41 41 VAL CA C 41 67.279 67.036 0.243 1
1 488 . 2 1 1 A 41 41 VAL CB C 41 32.149 31.892 0.257 1
1 491 . 2 1 1 A 41 41 VAL N N 41 116.434 118.444 -2.010 1
1 492 . 2 1 1 A 42 42 VAL H H 42 8.332 8.258 0.074 1
1 493 . 2 1 1 A 42 42 VAL HA H 42 3.723 4.052 -0.329 1
1 501 . 2 1 1 A 42 42 VAL C C 42 178.381 177.745 0.636 1
1 502 . 2 1 1 A 42 42 VAL CA C 42 67.698 65.278 2.420 1
1 503 . 2 1 1 A 42 42 VAL CB C 42 32.170 31.061 1.109 1
1 506 . 2 1 1 A 42 42 VAL N N 42 118.061 120.313 -2.252 1
1 507 . 2 1 1 A 43 43 LYS H H 43 8.973 8.150 0.823 1
1 508 . 2 1 1 A 43 43 LYS HA H 43 3.977 4.017 -0.040 1
1 517 . 2 1 1 A 43 43 LYS C C 43 177.830 179.157 -1.327 1
1 518 . 2 1 1 A 43 43 LYS CA C 43 60.343 59.508 0.835 1
1 519 . 2 1 1 A 43 43 LYS CB C 43 32.863 32.143 0.720 1
1 523 . 2 1 1 A 43 43 LYS N N 43 118.026 122.555 -4.529 1
1 524 . 2 1 1 A 44 44 ALA H H 44 7.959 7.952 0.007 1
1 525 . 2 1 1 A 44 44 ALA HA H 44 3.968 4.099 -0.131 1
1 529 . 2 1 1 A 44 44 ALA C C 44 178.921 180.029 -1.108 1
1 530 . 2 1 1 A 44 44 ALA CA C 44 55.324 55.280 0.044 1
1 531 . 2 1 1 A 44 44 ALA CB C 44 19.816 18.407 1.409 1
1 532 . 2 1 1 A 44 44 ALA N N 44 119.893 122.107 -2.214 1
1 533 . 2 1 1 A 45 45 VAL H H 45 7.789 7.830 -0.041 1
1 534 . 2 1 1 A 45 45 VAL HA H 45 4.494 3.937 0.557 1
1 542 . 2 1 1 A 45 45 VAL C C 45 180.590 178.250 2.340 1
1 543 . 2 1 1 A 45 45 VAL CA C 45 64.383 67.003 -2.620 1
1 544 . 2 1 1 A 45 45 VAL CB C 45 32.456 31.678 0.778 1
1 547 . 2 1 1 A 45 45 VAL N N 45 118.569 117.931 0.638 1
1 548 . 2 1 1 A 46 46 ILE H H 46 8.945 8.310 0.635 1
1 549 . 2 1 1 A 46 46 ILE HA H 46 3.689 3.729 -0.040 1
1 559 . 2 1 1 A 46 46 ILE C C 46 178.437 177.618 0.819 1
1 560 . 2 1 1 A 46 46 ILE CA C 46 65.391 64.629 0.762 1
1 561 . 2 1 1 A 46 46 ILE CB C 46 38.182 37.294 0.888 1
1 565 . 2 1 1 A 46 46 ILE N N 46 121.331 119.157 2.174 1
1 566 . 2 1 1 A 47 47 HIS H H 47 8.030 7.710 0.320 1
1 567 . 2 1 1 A 47 47 HIS HA H 47 4.663 4.665 -0.002 1
1 572 . 2 1 1 A 47 47 HIS C C 47 175.308 175.511 -0.203 1
1 573 . 2 1 1 A 47 47 HIS CA C 47 56.736 56.114 0.622 1
1 574 . 2 1 1 A 47 47 HIS CB C 47 29.482 30.202 -0.720 1
1 577 . 2 1 1 A 47 47 HIS N N 47 113.700 117.662 -3.962 1
1 578 . 2 1 1 A 48 48 GLY H H 48 7.543 7.711 -0.168 1
1 579 . 2 1 1 A 48 48 GLY HA2 H 48 4.026 3.941 0.085 1
1 580 . 2 1 1 A 48 48 GLY HA3 H 48 3.904 3.962 -0.058 1
1 581 . 2 1 1 A 48 48 GLY C C 48 175.172 175.118 0.054 1
1 582 . 2 1 1 A 48 48 GLY CA C 48 46.740 45.609 1.131 1
1 583 . 2 1 1 A 48 48 GLY N N 48 106.113 107.323 -1.210 1
1 584 . 2 1 1 A 49 49 LEU H H 49 8.803 8.025 0.778 1
1 585 . 2 1 1 A 49 49 LEU HA H 49 4.090 4.140 -0.050 1
1 595 . 2 1 1 A 49 49 LEU C C 49 176.111 176.428 -0.317 1
1 596 . 2 1 1 A 49 49 LEU CA C 49 57.575 57.722 -0.147 1
1 597 . 2 1 1 A 49 49 LEU CB C 49 42.969 42.635 0.334 1
1 601 . 2 1 1 A 49 49 LEU N N 49 122.636 122.009 0.627 1
1 602 . 2 1 1 A 50 50 ILE H H 50 7.257 7.309 -0.052 1
1 603 . 2 1 1 A 50 50 ILE HA H 50 4.689 4.800 -0.111 1
1 613 . 2 1 1 A 50 50 ILE C C 50 174.994 174.385 0.609 1
1 614 . 2 1 1 A 50 50 ILE CA C 50 58.262 58.930 -0.668 1
1 615 . 2 1 1 A 50 50 ILE CB C 50 41.641 41.265 0.376 1
1 619 . 2 1 1 A 50 50 ILE N N 50 107.650 114.553 -6.903 1
1 620 . 2 1 1 A 51 51 THR H H 51 8.677 8.319 0.358 1
1 621 . 2 1 1 A 51 51 THR HA H 51 4.466 4.720 -0.254 1
1 627 . 2 1 1 A 51 51 THR C C 51 175.227 175.119 0.108 1
1 628 . 2 1 1 A 51 51 THR CA C 51 60.728 59.746 0.982 1
1 629 . 2 1 1 A 51 51 THR CB C 51 71.216 70.414 0.802 1
1 631 . 2 1 1 A 51 51 THR N N 51 111.798 116.537 -4.739 1
1 632 . 2 1 1 A 52 52 GLU H H 52 9.034 9.036 -0.002 1
1 633 . 2 1 1 A 52 52 GLU HA H 52 3.507 3.561 -0.054 1
1 638 . 2 1 1 A 52 52 GLU C C 52 177.287 178.041 -0.754 1
1 639 . 2 1 1 A 52 52 GLU CA C 52 60.515 59.643 0.872 1
1 640 . 2 1 1 A 52 52 GLU CB C 52 29.418 29.225 0.193 1
1 642 . 2 1 1 A 52 52 GLU N N 52 122.067 125.965 -3.898 1
1 643 . 2 1 1 A 53 53 ARG H H 53 8.213 7.507 0.706 1
1 644 . 2 1 1 A 53 53 ARG HA H 53 3.740 4.025 -0.285 1
1 652 . 2 1 1 A 53 53 ARG C C 53 177.698 178.791 -1.093 1
1 653 . 2 1 1 A 53 53 ARG CA C 53 58.635 59.412 -0.777 1
1 654 . 2 1 1 A 53 53 ARG CB C 53 30.257 29.760 0.497 1
1 658 . 2 1 1 A 53 53 ARG N N 53 116.853 119.006 -2.153 1
1 660 . 2 1 1 A 54 54 GLU H H 54 7.747 7.751 -0.004 1
1 661 . 2 1 1 A 54 54 GLU HA H 54 3.978 4.036 -0.058 1
1 666 . 2 1 1 A 54 54 GLU C C 54 178.915 178.257 0.658 1
1 667 . 2 1 1 A 54 54 GLU CA C 54 59.312 59.392 -0.080 1
1 668 . 2 1 1 A 54 54 GLU CB C 54 29.678 29.403 0.275 1
1 670 . 2 1 1 A 54 54 GLU N N 54 118.040 119.476 -1.436 1
1 671 . 2 1 1 A 55 55 ALA H H 55 7.932 7.931 0.001 1
1 672 . 2 1 1 A 55 55 ALA HA H 55 3.694 4.147 -0.453 1
1 676 . 2 1 1 A 55 55 ALA C C 55 178.383 180.113 -1.730 1
1 677 . 2 1 1 A 55 55 ALA CA C 55 55.871 55.194 0.677 1
1 678 . 2 1 1 A 55 55 ALA CB C 55 17.664 18.191 -0.527 1
1 679 . 2 1 1 A 55 55 ALA N N 55 122.121 122.017 0.104 1
1 680 . 2 1 1 A 56 56 LEU H H 56 8.110 7.754 0.356 1
1 681 . 2 1 1 A 56 56 LEU HA H 56 3.605 3.777 -0.172 1
1 691 . 2 1 1 A 56 56 LEU C C 56 180.273 178.679 1.594 1
1 692 . 2 1 1 A 56 56 LEU CA C 56 58.167 58.213 -0.046 1
1 693 . 2 1 1 A 56 56 LEU CB C 56 39.563 41.437 -1.874 1
1 697 . 2 1 1 A 56 56 LEU N N 56 114.908 118.795 -3.887 1
1 698 . 2 1 1 A 57 57 ASP H H 57 8.080 8.187 -0.107 1
1 699 . 2 1 1 A 57 57 ASP HA H 57 4.353 4.247 0.106 1
1 702 . 2 1 1 A 57 57 ASP C C 57 179.121 178.084 1.037 1
1 703 . 2 1 1 A 57 57 ASP CA C 57 56.644 57.688 -1.044 1
1 704 . 2 1 1 A 57 57 ASP CB C 57 40.909 41.298 -0.389 1
1 705 . 2 1 1 A 57 57 ASP N N 57 117.019 119.134 -2.115 1
1 706 . 2 1 1 A 58 58 ARG H H 58 8.584 8.856 -0.272 1
1 707 . 2 1 1 A 58 58 ARG HA H 58 3.728 4.018 -0.290 1
1 715 . 2 1 1 A 58 58 ARG C C 58 177.362 176.547 0.815 1
1 716 . 2 1 1 A 58 58 ARG CA C 58 59.141 58.526 0.615 1
1 717 . 2 1 1 A 58 58 ARG CB C 58 30.462 29.756 0.706 1
1 720 . 2 1 1 A 58 58 ARG N N 58 119.926 117.772 2.154 1
1 722 . 2 1 1 A 59 59 TYR H H 59 7.133 7.484 -0.351 1
1 723 . 2 1 1 A 59 59 TYR HA H 59 5.018 4.758 0.260 1
1 730 . 2 1 1 A 59 59 TYR C C 59 173.865 175.072 -1.207 1
1 731 . 2 1 1 A 59 59 TYR CA C 59 57.348 57.895 -0.547 1
1 732 . 2 1 1 A 59 59 TYR CB C 59 38.052 39.210 -1.158 1
1 737 . 2 1 1 A 59 59 TYR N N 59 111.796 118.305 -6.509 1
1 738 . 2 1 1 A 60 60 SER H H 60 7.542 8.083 -0.541 1
1 739 . 2 1 1 A 60 60 SER HA H 60 4.082 4.164 -0.082 1
1 742 . 2 1 1 A 60 60 SER C C 60 176.402 173.522 2.880 1
1 743 . 2 1 1 A 60 60 SER CA C 60 58.482 59.494 -1.012 1
1 744 . 2 1 1 A 60 60 SER CB C 60 61.229 60.930 0.299 1
1 745 . 2 1 1 A 60 60 SER N N 60 114.624 111.638 2.986 1
1 746 . 2 1 1 A 61 61 LEU H H 61 8.228 8.071 0.157 1
1 747 . 2 1 1 A 61 61 LEU HA H 61 4.583 4.351 0.232 1
1 757 . 2 1 1 A 61 61 LEU C C 61 176.463 176.833 -0.370 1
1 758 . 2 1 1 A 61 61 LEU CA C 61 52.478 54.189 -1.711 1
1 759 . 2 1 1 A 61 61 LEU CB C 61 45.873 42.512 3.361 1
1 763 . 2 1 1 A 61 61 LEU N N 61 119.424 121.831 -2.407 1
1 764 . 2 1 1 A 62 62 SER H H 62 8.376 9.037 -0.661 1
1 765 . 2 1 1 A 62 62 SER HA H 62 4.555 4.549 0.006 1
1 768 . 2 1 1 A 62 62 SER C C 62 175.088 175.753 -0.665 1
1 769 . 2 1 1 A 62 62 SER CA C 62 56.123 57.520 -1.397 1
1 770 . 2 1 1 A 62 62 SER CB C 62 65.560 64.508 1.052 1
1 771 . 2 1 1 A 62 62 SER N N 62 115.890 118.382 -2.492 1
1 772 . 2 1 1 A 63 63 GLU H H 63 9.204 9.067 0.137 1
1 773 . 2 1 1 A 63 63 GLU HA H 63 3.806 3.949 -0.143 1
1 778 . 2 1 1 A 63 63 GLU C C 63 179.412 178.437 0.975 1
1 779 . 2 1 1 A 63 63 GLU CA C 63 60.338 59.688 0.650 1
1 780 . 2 1 1 A 63 63 GLU CB C 63 29.354 29.322 0.032 1
1 782 . 2 1 1 A 63 63 GLU N N 63 122.263 124.040 -1.777 1
1 783 . 2 1 1 A 64 64 GLU H H 64 8.859 8.410 0.449 1
1 784 . 2 1 1 A 64 64 GLU HA H 64 3.969 4.042 -0.073 1
1 789 . 2 1 1 A 64 64 GLU C C 64 178.700 178.898 -0.198 1
1 790 . 2 1 1 A 64 64 GLU CA C 64 59.822 59.000 0.822 1
1 791 . 2 1 1 A 64 64 GLU CB C 64 29.210 28.647 0.563 1
1 793 . 2 1 1 A 64 64 GLU N N 64 119.056 117.803 1.253 1
1 794 . 2 1 1 A 65 65 GLU H H 65 7.864 8.164 -0.300 1
1 795 . 2 1 1 A 65 65 GLU HA H 65 3.960 4.000 -0.040 1
1 800 . 2 1 1 A 65 65 GLU C C 65 177.783 178.476 -0.693 1
1 801 . 2 1 1 A 65 65 GLU CA C 65 58.817 59.353 -0.536 1
1 802 . 2 1 1 A 65 65 GLU CB C 65 29.452 29.172 0.280 1
1 804 . 2 1 1 A 65 65 GLU N N 65 121.783 120.611 1.172 1
1 805 . 2 1 1 A 66 66 PHE H H 66 7.918 7.802 0.116 1
1 806 . 2 1 1 A 66 66 PHE HA H 66 3.294 3.459 -0.165 1
1 814 . 2 1 1 A 66 66 PHE C C 66 177.021 177.669 -0.648 1
1 815 . 2 1 1 A 66 66 PHE CA C 66 61.197 61.155 0.042 1
1 816 . 2 1 1 A 66 66 PHE CB C 66 39.279 39.041 0.238 1
1 820 . 2 1 1 A 66 66 PHE N N 66 117.902 119.949 -2.047 1
1 821 . 2 1 1 A 67 67 ALA H H 67 8.011 8.219 -0.208 1
1 822 . 2 1 1 A 67 67 ALA HA H 67 3.839 4.003 -0.164 1
1 826 . 2 1 1 A 67 67 ALA C C 67 181.069 180.000 1.069 1
1 827 . 2 1 1 A 67 67 ALA CA C 67 55.296 55.162 0.134 1
1 828 . 2 1 1 A 67 67 ALA CB C 67 17.648 18.082 -0.434 1
1 829 . 2 1 1 A 67 67 ALA N N 67 119.951 121.245 -1.294 1
1 830 . 2 1 1 A 68 68 LEU H H 68 7.431 8.110 -0.679 1
1 831 . 2 1 1 A 68 68 LEU HA H 68 4.162 4.056 0.106 1
1 841 . 2 1 1 A 68 68 LEU C C 68 180.631 179.488 1.143 1
1 842 . 2 1 1 A 68 68 LEU CA C 68 57.621 57.856 -0.235 1
1 843 . 2 1 1 A 68 68 LEU CB C 68 41.083 42.203 -1.120 1
1 847 . 2 1 1 A 68 68 LEU N N 68 119.888 119.568 0.320 1
1 848 . 2 1 1 A 69 69 TRP H H 69 8.288 8.132 0.156 1
1 849 . 2 1 1 A 69 69 TRP HA H 69 4.341 4.224 0.117 1
1 858 . 2 1 1 A 69 69 TRP C C 69 179.178 179.421 -0.243 1
1 859 . 2 1 1 A 69 69 TRP CA C 69 59.228 60.303 -1.075 1
1 860 . 2 1 1 A 69 69 TRP CB C 69 28.387 28.703 -0.316 1
1 866 . 2 1 1 A 69 69 TRP N N 69 122.616 118.989 3.627 1
1 868 . 2 1 1 A 70 70 ARG H H 70 8.291 8.153 0.138 1
1 869 . 2 1 1 A 70 70 ARG HA H 70 3.743 4.056 -0.313 1
1 877 . 2 1 1 A 70 70 ARG C C 70 178.811 178.397 0.414 1
1 878 . 2 1 1 A 70 70 ARG CA C 70 59.614 58.170 1.444 1
1 879 . 2 1 1 A 70 70 ARG CB C 70 30.171 29.338 0.833 1
1 882 . 2 1 1 A 70 70 ARG N N 70 117.864 118.210 -0.346 1
1 884 . 2 1 1 A 71 71 SER H H 71 8.000 7.584 0.416 1
1 885 . 2 1 1 A 71 71 SER HA H 71 4.212 4.144 0.068 1
1 888 . 2 1 1 A 71 71 SER C C 71 176.074 177.053 -0.979 1
1 889 . 2 1 1 A 71 71 SER CA C 71 61.074 61.481 -0.407 1
1 890 . 2 1 1 A 71 71 SER CB C 71 62.891 62.770 0.121 1
1 891 . 2 1 1 A 71 71 SER N N 71 114.582 116.114 -1.532 1
1 892 . 2 1 1 A 72 72 ALA H H 72 7.816 7.783 0.033 1
1 893 . 2 1 1 A 72 72 ALA HA H 72 4.230 4.186 0.044 1
1 897 . 2 1 1 A 72 72 ALA C C 72 179.631 180.487 -0.856 1
1 898 . 2 1 1 A 72 72 ALA CA C 72 54.245 54.648 -0.403 1
1 899 . 2 1 1 A 72 72 ALA CB C 72 18.687 18.583 0.104 1
1 900 . 2 1 1 A 72 72 ALA N N 72 124.141 122.899 1.242 1
1 901 . 2 1 1 A 73 73 VAL H H 73 7.728 7.993 -0.265 1
1 902 . 2 1 1 A 73 73 VAL HA H 73 3.850 3.602 0.248 1
1 910 . 2 1 1 A 73 73 VAL C C 73 177.286 177.171 0.115 1
1 911 . 2 1 1 A 73 73 VAL CA C 73 64.163 66.102 -1.939 1
1 912 . 2 1 1 A 73 73 VAL CB C 73 32.466 31.897 0.569 1
1 915 . 2 1 1 A 73 73 VAL N N 73 117.289 117.993 -0.704 1
1 916 . 2 1 1 A 74 74 ALA H H 74 7.960 7.632 0.328 1
1 917 . 2 1 1 A 74 74 ALA HA H 74 4.195 4.270 -0.075 1
1 921 . 2 1 1 A 74 74 ALA C C 74 178.318 177.659 0.659 1
1 922 . 2 1 1 A 74 74 ALA CA C 74 53.559 53.026 0.533 1
1 923 . 2 1 1 A 74 74 ALA CB C 74 18.612 17.775 0.837 1
1 924 . 2 1 1 A 74 74 ALA N N 74 123.977 120.764 3.213 1
1 925 . 2 1 1 A 75 75 ALA H H 75 7.889 7.999 -0.110 1
1 926 . 2 1 1 A 75 75 ALA HA H 75 4.214 4.501 -0.287 1
1 930 . 2 1 1 A 75 75 ALA C C 75 178.233 176.858 1.375 1
1 931 . 2 1 1 A 75 75 ALA CA C 75 53.242 51.312 1.930 1
1 932 . 2 1 1 A 75 75 ALA CB C 75 18.812 20.484 -1.672 1
1 933 . 2 1 1 A 75 75 ALA N N 75 120.956 121.734 -0.778 1
1 934 . 2 1 1 A 76 76 HIS H H 76 8.057 7.583 0.474 1
1 935 . 2 1 1 A 76 76 HIS HA H 76 4.585 4.593 -0.008 1
1 939 . 2 1 1 A 76 76 HIS C C 76 176.217 173.581 2.636 1
1 940 . 2 1 1 A 76 76 HIS CA C 76 56.644 54.989 1.655 1
1 941 . 2 1 1 A 76 76 HIS CB C 76 30.282 29.942 0.340 1
1 943 . 2 1 1 A 76 76 HIS N N 76 117.302 119.250 -1.948 1
1 944 . 2 1 1 A 77 77 GLY H H 77 8.229 8.501 -0.272 1
1 945 . 2 1 1 A 77 77 GLY HA2 H 77 3.951 3.480 0.471 1
1 946 . 2 1 1 A 77 77 GLY HA3 H 77 3.951 3.752 0.199 1
1 947 . 2 1 1 A 77 77 GLY C C 77 174.415 174.382 0.033 1
1 948 . 2 1 1 A 77 77 GLY CA C 77 45.560 44.828 0.732 1
1 949 . 2 1 1 A 77 77 GLY N N 77 109.118 113.545 -4.427 1
1 950 . 2 1 1 A 78 78 GLU H H 78 8.335 8.557 -0.222 1
1 951 . 2 1 1 A 78 78 GLU HA H 78 4.210 4.008 0.202 1
1 956 . 2 1 1 A 78 78 GLU C C 78 177.052 178.284 -1.232 1
1 957 . 2 1 1 A 78 78 GLU CA C 78 56.836 58.334 -1.498 1
1 958 . 2 1 1 A 78 78 GLU CB C 78 30.136 29.895 0.241 1
1 960 . 2 1 1 A 78 78 GLU N N 78 120.947 123.230 -2.283 1
1 961 . 2 1 1 A 79 79 LYS H H 79 8.299 7.885 0.414 1
1 962 . 2 1 1 A 79 79 LYS HA H 79 4.205 4.371 -0.166 1
1 971 . 2 1 1 A 79 79 LYS C C 79 176.656 176.938 -0.282 1
1 972 . 2 1 1 A 79 79 LYS CA C 79 57.057 58.644 -1.587 1
1 973 . 2 1 1 A 79 79 LYS CB C 79 32.811 32.692 0.119 1
1 977 . 2 1 1 A 79 79 LYS N N 79 121.638 116.139 5.499 1
1 978 . 2 1 1 A 80 80 ALA H H 80 8.142 7.499 0.643 1
1 979 . 2 1 1 A 80 80 ALA HA H 80 4.245 4.555 -0.310 1
1 983 . 2 1 1 A 80 80 ALA C C 80 177.868 175.055 2.813 1
1 984 . 2 1 1 A 80 80 ALA CA C 80 52.706 51.545 1.161 1
1 985 . 2 1 1 A 80 80 ALA CB C 80 19.117 22.490 -3.373 1
1 986 . 2 1 1 A 80 80 ALA N N 80 123.770 118.819 4.951 1
1 987 . 2 1 1 A 81 81 LEU H H 81 8.040 8.713 -0.673 1
1 988 . 2 1 1 A 81 81 LEU HA H 81 4.245 4.934 -0.689 1
1 998 . 2 1 1 A 81 81 LEU C C 81 177.434 175.270 2.164 1
1 999 . 2 1 1 A 81 81 LEU CA C 81 55.673 54.189 1.484 1
1 1000 . 2 1 1 A 81 81 LEU CB C 81 42.160 41.910 0.250 1
1 1004 . 2 1 1 A 81 81 LEU N N 81 120.893 120.899 -0.006 1
1 1005 . 2 1 1 A 82 82 LYS H H 82 8.178 8.209 -0.031 1
1 1006 . 2 1 1 A 82 82 LYS HA H 82 4.283 4.651 -0.368 1
1 1015 . 2 1 1 A 82 82 LYS C C 82 176.810 176.863 -0.053 1
1 1016 . 2 1 1 A 82 82 LYS CA C 82 56.715 54.945 1.770 1
1 1017 . 2 1 1 A 82 82 LYS CB C 82 32.846 34.828 -1.982 1
1 1021 . 2 1 1 A 82 82 LYS N N 82 121.957 125.040 -3.083 1
1 1022 . 2 1 1 A 83 83 VAL H H 83 8.123 8.571 -0.448 1
1 1023 . 2 1 1 A 83 83 VAL HA H 83 4.093 3.829 0.264 1
1 1031 . 2 1 1 A 83 83 VAL C C 83 176.604 177.587 -0.983 1
1 1032 . 2 1 1 A 83 83 VAL CA C 83 62.964 65.621 -2.657 1
1 1033 . 2 1 1 A 83 83 VAL CB C 83 32.742 31.607 1.135 1
1 1036 . 2 1 1 A 83 83 VAL N N 83 121.150 126.737 -5.587 1
1 1037 . 2 1 1 A 84 84 THR H H 84 8.162 7.956 0.206 1
1 1038 . 2 1 1 A 84 84 THR HA H 84 4.276 3.943 0.333 1
1 1043 . 2 1 1 A 84 84 THR C C 84 174.773 177.484 -2.711 1
1 1044 . 2 1 1 A 84 84 THR CA C 84 62.558 65.705 -3.147 1
1 1045 . 2 1 1 A 84 84 THR CB C 84 69.726 68.713 1.013 1
1 1047 . 2 1 1 A 84 84 THR N N 84 117.587 117.087 0.500 1
1 1048 . 2 1 1 A 85 85 MET H H 85 8.353 8.220 0.133 1
1 1049 . 2 1 1 A 85 85 MET HA H 85 4.448 3.978 0.470 1
1 1054 . 2 1 1 A 85 85 MET C C 85 176.518 178.640 -2.122 1
1 1055 . 2 1 1 A 85 85 MET CA C 85 56.074 57.952 -1.878 1
1 1056 . 2 1 1 A 85 85 MET CB C 85 32.837 31.145 1.692 1
1 1058 . 2 1 1 A 85 85 MET N N 85 122.707 118.249 4.458 1
1 1059 . 2 1 1 A 86 86 ILE H H 86 8.113 7.705 0.408 1
1 1060 . 2 1 1 A 86 86 ILE HA H 86 4.061 3.773 0.288 1
1 1070 . 2 1 1 A 86 86 ILE C C 86 176.712 178.084 -1.372 1
1 1071 . 2 1 1 A 86 86 ILE CA C 86 62.006 65.209 -3.203 1
1 1072 . 2 1 1 A 86 86 ILE CB C 86 38.402 37.804 0.598 1
1 1076 . 2 1 1 A 86 86 ILE N N 86 121.834 120.597 1.237 1
1 1077 . 2 1 1 A 87 87 GLN H H 87 8.328 8.160 0.168 1
1 1078 . 2 1 1 A 87 87 GLN HA H 87 4.190 3.967 0.223 1
1 1085 . 2 1 1 A 87 87 GLN C C 87 176.617 178.179 -1.562 1
1 1086 . 2 1 1 A 87 87 GLN CA C 87 56.798 58.939 -2.141 1
1 1087 . 2 1 1 A 87 87 GLN CB C 87 29.044 28.288 0.756 1
1 1089 . 2 1 1 A 87 87 GLN N N 87 123.529 120.206 3.323 1
1 1091 . 2 1 1 A 88 88 LYS H H 88 8.232 7.796 0.436 1
1 1092 . 2 1 1 A 88 88 LYS HA H 88 4.133 4.093 0.040 1
1 1101 . 2 1 1 A 88 88 LYS C C 88 176.983 177.429 -0.446 1
1 1102 . 2 1 1 A 88 88 LYS CA C 88 57.289 58.133 -0.844 1
1 1103 . 2 1 1 A 88 88 LYS CB C 88 32.806 32.388 0.418 1
1 1107 . 2 1 1 A 88 88 LYS N N 88 121.677 118.860 2.817 1
1 1108 . 2 1 1 A 89 89 TYR H H 89 8.086 7.133 0.953 1
1 1109 . 2 1 1 A 89 89 TYR HA H 89 4.492 4.454 0.038 1
1 1116 . 2 1 1 A 89 89 TYR C C 89 176.250 178.371 -2.121 1
1 1117 . 2 1 1 A 89 89 TYR CA C 89 58.546 60.078 -1.532 1
1 1118 . 2 1 1 A 89 89 TYR CB C 89 38.410 39.253 -0.843 1
1 1123 . 2 1 1 A 89 89 TYR N N 89 119.993 118.262 1.731 1
1 1124 . 2 1 1 A 90 90 ARG H H 90 8.127 8.788 -0.661 1
1 1125 . 2 1 1 A 90 90 ARG HA H 90 4.119 4.033 0.086 1
1 1132 . 2 1 1 A 90 90 ARG C C 90 176.628 176.910 -0.282 1
1 1133 . 2 1 1 A 90 90 ARG CA C 90 57.085 59.536 -2.451 1
1 1134 . 2 1 1 A 90 90 ARG CB C 90 30.568 30.386 0.182 1
1 1137 . 2 1 1 A 90 90 ARG N N 90 121.679 118.611 3.068 1
1 1138 . 2 1 1 A 91 91 GLN H H 91 8.232 7.962 0.270 1
1 1139 . 2 1 1 A 91 91 GLN HA H 91 4.179 4.501 -0.322 1
1 1146 . 2 1 1 A 91 91 GLN C C 91 176.491 174.532 1.959 1
1 1147 . 2 1 1 A 91 91 GLN CA C 91 56.800 54.628 2.172 1
1 1148 . 2 1 1 A 91 91 GLN CB C 91 29.129 29.055 0.074 1
1 1150 . 2 1 1 A 91 91 GLN N N 91 120.420 117.172 3.248 1
1 1152 . 2 1 1 A 92 92 LEU H H 92 8.118 8.132 -0.014 1
1 1153 . 2 1 1 A 92 92 LEU HA H 92 4.269 5.004 -0.735 1
1 1162 . 2 1 1 A 92 92 LEU C C 92 177.632 176.624 1.008 1
1 1163 . 2 1 1 A 92 92 LEU CA C 92 55.419 55.553 -0.134 1
1 1164 . 2 1 1 A 92 92 LEU CB C 92 42.238 42.377 -0.139 1
1 1167 . 2 1 1 A 92 92 LEU N N 92 122.670 126.921 -4.251 1
1 1168 . 2 1 1 A 93 93 HIS H H 93 8.049 9.140 -1.091 1
1 1169 . 2 1 1 A 93 93 HIS HA H 93 4.228 4.836 -0.608 1
1 1172 . 2 1 1 A 93 93 HIS C C 93 177.608 174.709 2.899 1
1 1173 . 2 1 1 A 93 93 HIS CA C 93 55.512 57.725 -2.213 1
1 1174 . 2 1 1 A 93 93 HIS CB C 93 42.238 31.895 10.343 1
1 1175 . 2 1 1 A 93 93 HIS N N 93 121.742 126.939 -5.197 1
1 1176 . 2 1 1 A 94 94 HIS H H 94 8.153 7.759 0.394 1
1 1177 . 2 1 1 A 94 94 HIS HA H 94 4.141 4.506 -0.365 1
1 1180 . 2 1 1 A 94 94 HIS CA C 94 56.804 56.123 0.681 1
1 1181 . 2 1 1 A 94 94 HIS CB C 94 30.254 32.361 -2.107 1
1 1182 . 2 1 1 A 94 94 HIS N N 94 120.504 116.389 4.115 1
1 1 . 3 1 1 A 2 2 TYR HA H 2 4.593 5.207 -0.614 1
1 8 . 3 1 1 A 2 2 TYR C C 2 174.805 176.386 -1.581 1
1 9 . 3 1 1 A 2 2 TYR CA C 2 57.884 57.593 0.291 1
1 10 . 3 1 1 A 2 2 TYR CB C 2 38.790 39.484 -0.694 1
1 15 . 3 1 1 A 3 3 LEU H H 3 8.189 7.792 0.397 1
1 16 . 3 1 1 A 3 3 LEU HA H 3 4.268 4.230 0.038 1
1 25 . 3 1 1 A 3 3 LEU C C 3 176.110 178.222 -2.112 1
1 26 . 3 1 1 A 3 3 LEU CA C 3 54.574 58.007 -3.433 1
1 27 . 3 1 1 A 3 3 LEU CB C 3 42.796 41.928 0.868 1
1 30 . 3 1 1 A 3 3 LEU N N 3 126.201 120.946 5.255 1
1 31 . 3 1 1 A 4 4 LYS H H 4 8.132 7.917 0.215 1
1 32 . 3 1 1 A 4 4 LYS HA H 4 4.336 4.477 -0.141 1
1 35 . 3 1 1 A 4 4 LYS C C 4 175.828 175.406 0.422 1
1 36 . 3 1 1 A 4 4 LYS CA C 4 56.186 55.510 0.676 1
1 37 . 3 1 1 A 4 4 LYS CB C 4 33.084 32.970 0.114 1
1 38 . 3 1 1 A 4 4 LYS N N 4 123.332 115.840 7.492 1
1 39 . 3 1 1 A 5 5 ARG H H 5 8.537 7.511 1.026 1
1 40 . 3 1 1 A 5 5 ARG HA H 5 4.327 4.895 -0.568 1
1 47 . 3 1 1 A 5 5 ARG C C 5 176.158 174.532 1.626 1
1 48 . 3 1 1 A 5 5 ARG CA C 5 56.076 55.167 0.909 1
1 49 . 3 1 1 A 5 5 ARG CB C 5 31.028 32.929 -1.901 1
1 52 . 3 1 1 A 5 5 ARG N N 5 124.828 120.967 3.861 1
1 53 . 3 1 1 A 6 6 VAL H H 6 8.344 9.104 -0.760 1
1 54 . 3 1 1 A 6 6 VAL HA H 6 4.154 4.590 -0.436 1
1 62 . 3 1 1 A 6 6 VAL C C 6 175.662 175.470 0.192 1
1 63 . 3 1 1 A 6 6 VAL CA C 6 61.973 61.633 0.340 1
1 64 . 3 1 1 A 6 6 VAL CB C 6 32.937 31.739 1.198 1
1 66 . 3 1 1 A 6 6 VAL N N 6 122.153 126.724 -4.571 1
1 67 . 3 1 1 A 7 7 ASP H H 7 8.469 8.859 -0.390 1
1 68 . 3 1 1 A 7 7 ASP HA H 7 4.681 4.558 0.123 1
1 71 . 3 1 1 A 7 7 ASP C C 7 176.217 176.633 -0.416 1
1 72 . 3 1 1 A 7 7 ASP CA C 7 54.202 54.865 -0.663 1
1 73 . 3 1 1 A 7 7 ASP CB C 7 41.583 41.658 -0.075 1
1 74 . 3 1 1 A 7 7 ASP N N 7 124.555 129.019 -4.464 1
1 75 . 3 1 1 A 8 8 GLY H H 8 8.185 8.638 -0.453 1
1 76 . 3 1 1 A 8 8 GLY HA2 H 8 4.184 4.012 0.172 1
1 77 . 3 1 1 A 8 8 GLY HA3 H 8 4.070 4.016 0.054 1
1 78 . 3 1 1 A 8 8 GLY C C 8 171.436 173.462 -2.026 1
1 79 . 3 1 1 A 8 8 GLY CA C 8 44.634 45.361 -0.727 1
1 80 . 3 1 1 A 8 8 GLY N N 8 109.085 112.639 -3.554 1
1 81 . 3 1 1 A 9 9 PRO HA H 9 4.510 4.454 0.056 1
1 88 . 3 1 1 A 9 9 PRO C C 9 176.784 177.260 -0.476 1
1 89 . 3 1 1 A 9 9 PRO CA C 9 62.869 63.652 -0.783 1
1 90 . 3 1 1 A 9 9 PRO CB C 9 32.364 32.349 0.015 1
1 93 . 3 1 1 A 10 10 ARG H H 10 8.761 9.055 -0.294 1
1 94 . 3 1 1 A 10 10 ARG HA H 10 4.165 4.413 -0.248 1
1 99 . 3 1 1 A 10 10 ARG C C 10 175.911 176.031 -0.120 1
1 100 . 3 1 1 A 10 10 ARG CA C 10 57.463 56.753 0.710 1
1 101 . 3 1 1 A 10 10 ARG CB C 10 31.030 31.490 -0.460 1
1 103 . 3 1 1 A 10 10 ARG N N 10 120.390 119.676 0.714 1
1 104 . 3 1 1 A 11 11 GLN H H 11 7.790 7.695 0.095 1
1 105 . 3 1 1 A 11 11 GLN HA H 11 5.173 5.082 0.091 1
1 112 . 3 1 1 A 11 11 GLN C C 11 173.893 173.497 0.396 1
1 113 . 3 1 1 A 11 11 GLN CA C 11 54.402 54.950 -0.548 1
1 114 . 3 1 1 A 11 11 GLN CB C 11 31.366 31.993 -0.627 1
1 116 . 3 1 1 A 11 11 GLN N N 11 114.694 115.537 -0.843 1
1 118 . 3 1 1 A 12 12 VAL H H 12 8.803 9.113 -0.310 1
1 119 . 3 1 1 A 12 12 VAL HA H 12 4.625 4.934 -0.309 1
1 127 . 3 1 1 A 12 12 VAL C C 12 173.796 174.415 -0.619 1
1 128 . 3 1 1 A 12 12 VAL CA C 12 60.127 59.343 0.784 1
1 129 . 3 1 1 A 12 12 VAL CB C 12 35.590 35.490 0.100 1
1 132 . 3 1 1 A 12 12 VAL N N 12 115.575 117.464 -1.889 1
1 133 . 3 1 1 A 13 13 THR H H 13 8.553 8.541 0.012 1
1 134 . 3 1 1 A 13 13 THR HA H 13 4.772 4.646 0.126 1
1 139 . 3 1 1 A 13 13 THR C C 13 174.526 174.245 0.281 1
1 140 . 3 1 1 A 13 13 THR CA C 13 61.880 62.052 -0.172 1
1 141 . 3 1 1 A 13 13 THR CB C 13 69.319 69.651 -0.332 1
1 143 . 3 1 1 A 13 13 THR N N 13 119.282 118.079 1.203 1
1 144 . 3 1 1 A 14 14 LEU H H 14 9.254 8.875 0.379 1
1 145 . 3 1 1 A 14 14 LEU HA H 14 4.210 4.464 -0.254 1
1 155 . 3 1 1 A 14 14 LEU C C 14 177.361 176.786 0.575 1
1 156 . 3 1 1 A 14 14 LEU CA C 14 54.116 52.887 1.229 1
1 157 . 3 1 1 A 14 14 LEU CB C 14 39.546 41.418 -1.872 1
1 161 . 3 1 1 A 14 14 LEU N N 14 129.147 127.565 1.582 1
1 162 . 3 1 1 A 15 15 PRO HA H 15 4.294 4.518 -0.224 1
1 169 . 3 1 1 A 15 15 PRO C C 15 176.570 177.540 -0.970 1
1 170 . 3 1 1 A 15 15 PRO CA C 15 65.392 64.577 0.815 1
1 171 . 3 1 1 A 15 15 PRO CB C 15 31.808 31.773 0.035 1
1 174 . 3 1 1 A 16 16 ASP H H 16 7.397 8.111 -0.714 1
1 175 . 3 1 1 A 16 16 ASP HA H 16 4.486 4.694 -0.208 1
1 178 . 3 1 1 A 16 16 ASP C C 16 177.056 176.634 0.422 1
1 179 . 3 1 1 A 16 16 ASP CA C 16 53.157 54.075 -0.918 1
1 180 . 3 1 1 A 16 16 ASP CB C 16 39.987 40.993 -1.006 1
1 181 . 3 1 1 A 16 16 ASP N N 16 113.036 115.009 -1.973 1
1 182 . 3 1 1 A 17 17 GLY H H 17 8.399 8.030 0.369 1
1 183 . 3 1 1 A 17 17 GLY HA2 H 17 4.293 3.963 0.330 1
1 184 . 3 1 1 A 17 17 GLY HA3 H 17 3.481 3.973 -0.492 1
1 185 . 3 1 1 A 17 17 GLY C C 17 174.700 174.313 0.387 1
1 186 . 3 1 1 A 17 17 GLY CA C 17 44.998 45.069 -0.071 1
1 187 . 3 1 1 A 17 17 GLY N N 17 108.859 106.434 2.425 1
1 188 . 3 1 1 A 18 18 THR H H 18 8.003 7.618 0.385 1
1 189 . 3 1 1 A 18 18 THR HA H 18 4.151 4.404 -0.253 1
1 194 . 3 1 1 A 18 18 THR C C 18 172.576 174.156 -1.580 1
1 195 . 3 1 1 A 18 18 THR CA C 18 63.144 62.321 0.823 1
1 196 . 3 1 1 A 18 18 THR CB C 18 69.888 69.483 0.405 1
1 198 . 3 1 1 A 18 18 THR N N 18 116.015 116.304 -0.289 1
1 199 . 3 1 1 A 19 19 VAL H H 19 8.384 8.336 0.048 1
1 200 . 3 1 1 A 19 19 VAL HA H 19 4.726 4.558 0.168 1
1 208 . 3 1 1 A 19 19 VAL C C 19 175.823 173.996 1.827 1
1 209 . 3 1 1 A 19 19 VAL CA C 19 61.491 61.030 0.461 1
1 210 . 3 1 1 A 19 19 VAL CB C 19 33.757 33.651 0.106 1
1 213 . 3 1 1 A 19 19 VAL N N 19 121.723 122.819 -1.096 1
1 214 . 3 1 1 A 20 20 LEU H H 20 8.948 9.414 -0.466 1
1 215 . 3 1 1 A 20 20 LEU HA H 20 4.784 5.116 -0.332 1
1 225 . 3 1 1 A 20 20 LEU C C 20 174.749 176.263 -1.514 1
1 226 . 3 1 1 A 20 20 LEU CA C 20 53.616 53.564 0.052 1
1 227 . 3 1 1 A 20 20 LEU CB C 20 45.062 43.959 1.103 1
1 231 . 3 1 1 A 20 20 LEU N N 20 129.673 130.497 -0.824 1
1 232 . 3 1 1 A 21 21 SER H H 21 9.246 9.105 0.141 1
1 233 . 3 1 1 A 21 21 SER HA H 21 5.207 5.059 0.148 1
1 236 . 3 1 1 A 21 21 SER C C 21 176.047 175.933 0.114 1
1 237 . 3 1 1 A 21 21 SER CA C 21 56.523 56.869 -0.346 1
1 238 . 3 1 1 A 21 21 SER CB C 21 66.369 66.035 0.334 1
1 239 . 3 1 1 A 21 21 SER N N 21 120.387 119.574 0.813 1
1 240 . 3 1 1 A 22 22 ARG H H 22 8.847 8.772 0.075 1
1 241 . 3 1 1 A 22 22 ARG HA H 22 3.868 4.245 -0.377 1
1 248 . 3 1 1 A 22 22 ARG C C 22 178.388 176.821 1.567 1
1 249 . 3 1 1 A 22 22 ARG CA C 22 60.207 58.670 1.537 1
1 250 . 3 1 1 A 22 22 ARG CB C 22 29.118 29.956 -0.838 1
1 253 . 3 1 1 A 22 22 ARG N N 22 122.878 120.927 1.951 1
1 254 . 3 1 1 A 23 23 ALA H H 23 8.243 7.788 0.455 1
1 255 . 3 1 1 A 23 23 ALA HA H 23 4.175 4.337 -0.162 1
1 259 . 3 1 1 A 23 23 ALA C C 23 177.763 177.719 0.044 1
1 260 . 3 1 1 A 23 23 ALA CA C 23 54.000 52.354 1.646 1
1 261 . 3 1 1 A 23 23 ALA CB C 23 18.461 19.722 -1.261 1
1 262 . 3 1 1 A 23 23 ALA N N 23 121.050 121.179 -0.129 1
1 263 . 3 1 1 A 24 24 ASP H H 24 7.597 7.864 -0.267 1
1 264 . 3 1 1 A 24 24 ASP HA H 24 4.632 4.692 -0.060 1
1 267 . 3 1 1 A 24 24 ASP C C 24 176.608 176.801 -0.193 1
1 268 . 3 1 1 A 24 24 ASP CA C 24 54.726 55.048 -0.322 1
1 269 . 3 1 1 A 24 24 ASP CB C 24 42.026 41.607 0.419 1
1 270 . 3 1 1 A 24 24 ASP N N 24 115.095 117.391 -2.296 1
1 271 . 3 1 1 A 25 25 LEU H H 25 7.311 7.400 -0.089 1
1 272 . 3 1 1 A 25 25 LEU HA H 25 4.402 4.485 -0.083 1
1 282 . 3 1 1 A 25 25 LEU C C 25 174.724 174.854 -0.130 1
1 283 . 3 1 1 A 25 25 LEU CA C 25 53.307 53.814 -0.507 1
1 284 . 3 1 1 A 25 25 LEU CB C 25 40.047 41.695 -1.648 1
1 288 . 3 1 1 A 25 25 LEU N N 25 119.781 122.619 -2.838 1
1 289 . 3 1 1 A 26 26 PRO HA H 26 4.745 4.630 0.115 1
1 296 . 3 1 1 A 26 26 PRO CA C 26 61.496 61.798 -0.302 1
1 297 . 3 1 1 A 26 26 PRO CB C 26 30.700 31.625 -0.925 1
1 300 . 3 1 1 A 27 27 PRO HA H 27 4.598 4.639 -0.041 1
1 307 . 3 1 1 A 27 27 PRO C C 27 178.036 177.081 0.955 1
1 308 . 3 1 1 A 27 27 PRO CA C 27 62.923 62.670 0.253 1
1 309 . 3 1 1 A 27 27 PRO CB C 27 32.758 32.537 0.221 1
1 312 . 3 1 1 A 28 28 LEU H H 28 8.880 8.502 0.378 1
1 313 . 3 1 1 A 28 28 LEU HA H 28 4.177 4.345 -0.168 1
1 323 . 3 1 1 A 28 28 LEU C C 28 176.873 178.193 -1.320 1
1 324 . 3 1 1 A 28 28 LEU CA C 28 57.833 57.030 0.803 1
1 325 . 3 1 1 A 28 28 LEU CB C 28 41.291 41.635 -0.344 1
1 329 . 3 1 1 A 28 28 LEU N N 28 122.643 122.807 -0.164 1
1 330 . 3 1 1 A 29 29 ASP H H 29 8.203 7.974 0.229 1
1 331 . 3 1 1 A 29 29 ASP HA H 29 4.615 4.636 -0.021 1
1 334 . 3 1 1 A 29 29 ASP C C 29 176.158 176.055 0.103 1
1 335 . 3 1 1 A 29 29 ASP CA C 29 53.098 55.023 -1.925 1
1 336 . 3 1 1 A 29 29 ASP CB C 29 39.311 41.564 -2.253 1
1 337 . 3 1 1 A 29 29 ASP N N 29 115.741 117.284 -1.543 1
1 338 . 3 1 1 A 30 30 THR H H 30 7.516 7.341 0.175 1
1 339 . 3 1 1 A 30 30 THR HA H 30 3.599 4.136 -0.537 1
1 344 . 3 1 1 A 30 30 THR C C 30 174.366 173.949 0.417 1
1 345 . 3 1 1 A 30 30 THR CA C 30 65.815 62.497 3.318 1
1 346 . 3 1 1 A 30 30 THR CB C 30 69.989 67.456 2.533 1
1 348 . 3 1 1 A 30 30 THR N N 30 116.808 114.909 1.899 1
1 349 . 3 1 1 A 31 31 ARG H H 31 8.482 8.406 0.076 1
1 350 . 3 1 1 A 31 31 ARG HA H 31 4.583 4.451 0.132 1
1 358 . 3 1 1 A 31 31 ARG CA C 31 55.399 57.125 -1.726 1
1 359 . 3 1 1 A 31 31 ARG CB C 31 32.296 31.227 1.069 1
1 362 . 3 1 1 A 31 31 ARG N N 31 124.991 128.291 -3.300 1
1 364 . 3 1 1 A 32 32 ARG HA H 32 4.523 4.370 0.153 1
1 372 . 3 1 1 A 32 32 ARG C C 32 175.341 174.339 1.002 1
1 373 . 3 1 1 A 32 32 ARG CA C 32 54.759 55.099 -0.340 1
1 374 . 3 1 1 A 32 32 ARG CB C 32 30.348 29.120 1.228 1
1 378 . 3 1 1 A 33 33 TRP H H 33 8.923 8.756 0.167 1
1 379 . 3 1 1 A 33 33 TRP HA H 33 4.292 4.820 -0.528 1
1 388 . 3 1 1 A 33 33 TRP C C 33 176.208 176.449 -0.241 1
1 389 . 3 1 1 A 33 33 TRP CA C 33 56.923 57.750 -0.827 1
1 390 . 3 1 1 A 33 33 TRP CB C 33 28.492 29.527 -1.035 1
1 396 . 3 1 1 A 33 33 TRP N N 33 128.804 127.057 1.747 1
1 398 . 3 1 1 A 34 34 VAL H H 34 6.953 8.675 -1.722 1
1 399 . 3 1 1 A 34 34 VAL HA H 34 4.451 4.692 -0.241 1
1 407 . 3 1 1 A 34 34 VAL C C 34 177.217 176.962 0.255 1
1 408 . 3 1 1 A 34 34 VAL CA C 34 60.180 60.206 -0.026 1
1 409 . 3 1 1 A 34 34 VAL CB C 34 32.686 34.731 -2.045 1
1 412 . 3 1 1 A 34 34 VAL N N 34 114.683 121.877 -7.194 1
1 413 . 3 1 1 A 35 35 ALA HA H 35 3.745 3.842 -0.097 1
1 417 . 3 1 1 A 35 35 ALA C C 35 180.114 179.978 0.136 1
1 418 . 3 1 1 A 35 35 ALA CA C 35 56.618 55.545 1.073 1
1 419 . 3 1 1 A 35 35 ALA CB C 35 18.334 18.055 0.279 1
1 420 . 3 1 1 A 36 36 SER H H 36 8.841 8.241 0.600 1
1 421 . 3 1 1 A 36 36 SER HA H 36 4.140 4.073 0.067 1
1 424 . 3 1 1 A 36 36 SER C C 36 177.291 177.098 0.193 1
1 425 . 3 1 1 A 36 36 SER CA C 36 61.250 61.690 -0.440 1
1 426 . 3 1 1 A 36 36 SER CB C 36 61.673 62.606 -0.933 1
1 427 . 3 1 1 A 36 36 SER N N 36 111.913 112.670 -0.757 1
1 428 . 3 1 1 A 37 37 ARG H H 37 7.183 7.857 -0.674 1
1 429 . 3 1 1 A 37 37 ARG HA H 37 4.349 4.166 0.183 1
1 436 . 3 1 1 A 37 37 ARG C C 37 177.816 178.804 -0.988 1
1 437 . 3 1 1 A 37 37 ARG CA C 37 58.944 58.836 0.108 1
1 438 . 3 1 1 A 37 37 ARG CB C 37 31.009 29.681 1.328 1
1 441 . 3 1 1 A 37 37 ARG N N 37 123.504 121.705 1.799 1
1 442 . 3 1 1 A 38 38 LYS H H 38 7.514 8.064 -0.550 1
1 443 . 3 1 1 A 38 38 LYS HA H 38 3.592 3.371 0.221 1
1 452 . 3 1 1 A 38 38 LYS C C 38 178.935 178.874 0.061 1
1 453 . 3 1 1 A 38 38 LYS CA C 38 59.846 59.019 0.827 1
1 454 . 3 1 1 A 38 38 LYS CB C 38 33.310 31.584 1.726 1
1 458 . 3 1 1 A 38 38 LYS N N 38 118.200 119.538 -1.338 1
1 459 . 3 1 1 A 39 39 ALA H H 39 8.131 8.265 -0.134 1
1 460 . 3 1 1 A 39 39 ALA HA H 39 3.865 4.008 -0.143 1
1 464 . 3 1 1 A 39 39 ALA C C 39 178.995 179.660 -0.665 1
1 465 . 3 1 1 A 39 39 ALA CA C 39 55.093 54.968 0.125 1
1 466 . 3 1 1 A 39 39 ALA CB C 39 18.124 17.765 0.359 1
1 467 . 3 1 1 A 39 39 ALA N N 39 117.547 122.181 -4.634 1
1 468 . 3 1 1 A 40 40 ALA H H 40 7.375 7.966 -0.591 1
1 469 . 3 1 1 A 40 40 ALA HA H 40 4.134 4.107 0.027 1
1 473 . 3 1 1 A 40 40 ALA C C 40 179.512 180.122 -0.610 1
1 474 . 3 1 1 A 40 40 ALA CA C 40 55.506 55.373 0.133 1
1 475 . 3 1 1 A 40 40 ALA CB C 40 18.473 18.226 0.247 1
1 476 . 3 1 1 A 40 40 ALA N N 40 119.346 119.844 -0.498 1
1 477 . 3 1 1 A 41 41 VAL H H 41 7.382 7.814 -0.432 1
1 478 . 3 1 1 A 41 41 VAL HA H 41 3.642 3.770 -0.128 1
1 486 . 3 1 1 A 41 41 VAL C C 41 177.423 178.348 -0.925 1
1 487 . 3 1 1 A 41 41 VAL CA C 41 67.279 67.118 0.161 1
1 488 . 3 1 1 A 41 41 VAL CB C 41 32.149 31.834 0.315 1
1 491 . 3 1 1 A 41 41 VAL N N 41 116.434 118.575 -2.141 1
1 492 . 3 1 1 A 42 42 VAL H H 42 8.332 8.210 0.122 1
1 493 . 3 1 1 A 42 42 VAL HA H 42 3.723 4.078 -0.355 1
1 501 . 3 1 1 A 42 42 VAL C C 42 178.381 177.833 0.548 1
1 502 . 3 1 1 A 42 42 VAL CA C 42 67.698 65.324 2.374 1
1 503 . 3 1 1 A 42 42 VAL CB C 42 32.170 31.328 0.842 1
1 506 . 3 1 1 A 42 42 VAL N N 42 118.061 120.545 -2.484 1
1 507 . 3 1 1 A 43 43 LYS H H 43 8.973 8.408 0.565 1
1 508 . 3 1 1 A 43 43 LYS HA H 43 3.977 4.122 -0.145 1
1 517 . 3 1 1 A 43 43 LYS C C 43 177.830 179.290 -1.460 1
1 518 . 3 1 1 A 43 43 LYS CA C 43 60.343 59.345 0.998 1
1 519 . 3 1 1 A 43 43 LYS CB C 43 32.863 32.602 0.261 1
1 523 . 3 1 1 A 43 43 LYS N N 43 118.026 122.372 -4.346 1
1 524 . 3 1 1 A 44 44 ALA H H 44 7.959 7.835 0.124 1
1 525 . 3 1 1 A 44 44 ALA HA H 44 3.968 4.117 -0.149 1
1 529 . 3 1 1 A 44 44 ALA C C 44 178.921 179.914 -0.993 1
1 530 . 3 1 1 A 44 44 ALA CA C 44 55.324 55.306 0.018 1
1 531 . 3 1 1 A 44 44 ALA CB C 44 19.816 18.413 1.403 1
1 532 . 3 1 1 A 44 44 ALA N N 44 119.893 122.514 -2.621 1
1 533 . 3 1 1 A 45 45 VAL H H 45 7.789 7.770 0.019 1
1 534 . 3 1 1 A 45 45 VAL HA H 45 4.494 4.046 0.448 1
1 542 . 3 1 1 A 45 45 VAL C C 45 180.590 178.606 1.984 1
1 543 . 3 1 1 A 45 45 VAL CA C 45 64.383 66.871 -2.488 1
1 544 . 3 1 1 A 45 45 VAL CB C 45 32.456 31.256 1.200 1
1 547 . 3 1 1 A 45 45 VAL N N 45 118.569 118.243 0.326 1
1 548 . 3 1 1 A 46 46 ILE H H 46 8.945 8.386 0.559 1
1 549 . 3 1 1 A 46 46 ILE HA H 46 3.689 3.693 -0.004 1
1 559 . 3 1 1 A 46 46 ILE C C 46 178.437 177.999 0.438 1
1 560 . 3 1 1 A 46 46 ILE CA C 46 65.391 64.770 0.621 1
1 561 . 3 1 1 A 46 46 ILE CB C 46 38.182 37.554 0.628 1
1 565 . 3 1 1 A 46 46 ILE N N 46 121.331 119.637 1.694 1
1 566 . 3 1 1 A 47 47 HIS H H 47 8.030 7.790 0.240 1
1 567 . 3 1 1 A 47 47 HIS HA H 47 4.663 4.552 0.111 1
1 572 . 3 1 1 A 47 47 HIS C C 47 175.308 175.532 -0.224 1
1 573 . 3 1 1 A 47 47 HIS CA C 47 56.736 56.047 0.689 1
1 574 . 3 1 1 A 47 47 HIS CB C 47 29.482 30.047 -0.565 1
1 577 . 3 1 1 A 47 47 HIS N N 47 113.700 117.120 -3.420 1
1 578 . 3 1 1 A 48 48 GLY H H 48 7.543 7.737 -0.194 1
1 579 . 3 1 1 A 48 48 GLY HA2 H 48 4.026 3.920 0.106 1
1 580 . 3 1 1 A 48 48 GLY HA3 H 48 3.904 3.928 -0.024 1
1 581 . 3 1 1 A 48 48 GLY C C 48 175.172 175.111 0.061 1
1 582 . 3 1 1 A 48 48 GLY CA C 48 46.740 46.173 0.567 1
1 583 . 3 1 1 A 48 48 GLY N N 48 106.113 107.298 -1.185 1
1 584 . 3 1 1 A 49 49 LEU H H 49 8.803 8.175 0.628 1
1 585 . 3 1 1 A 49 49 LEU HA H 49 4.090 4.110 -0.020 1
1 595 . 3 1 1 A 49 49 LEU C C 49 176.111 176.388 -0.277 1
1 596 . 3 1 1 A 49 49 LEU CA C 49 57.575 57.470 0.105 1
1 597 . 3 1 1 A 49 49 LEU CB C 49 42.969 42.778 0.191 1
1 601 . 3 1 1 A 49 49 LEU N N 49 122.636 122.196 0.440 1
1 602 . 3 1 1 A 50 50 ILE H H 50 7.257 7.370 -0.113 1
1 603 . 3 1 1 A 50 50 ILE HA H 50 4.689 4.791 -0.102 1
1 613 . 3 1 1 A 50 50 ILE C C 50 174.994 174.455 0.539 1
1 614 . 3 1 1 A 50 50 ILE CA C 50 58.262 58.777 -0.515 1
1 615 . 3 1 1 A 50 50 ILE CB C 50 41.641 41.570 0.071 1
1 619 . 3 1 1 A 50 50 ILE N N 50 107.650 114.481 -6.831 1
1 620 . 3 1 1 A 51 51 THR H H 51 8.677 8.439 0.238 1
1 621 . 3 1 1 A 51 51 THR HA H 51 4.466 4.710 -0.244 1
1 627 . 3 1 1 A 51 51 THR C C 51 175.227 175.140 0.087 1
1 628 . 3 1 1 A 51 51 THR CA C 51 60.728 60.334 0.394 1
1 629 . 3 1 1 A 51 51 THR CB C 51 71.216 70.498 0.718 1
1 631 . 3 1 1 A 51 51 THR N N 51 111.798 117.083 -5.285 1
1 632 . 3 1 1 A 52 52 GLU H H 52 9.034 9.068 -0.034 1
1 633 . 3 1 1 A 52 52 GLU HA H 52 3.507 3.540 -0.033 1
1 638 . 3 1 1 A 52 52 GLU C C 52 177.287 178.075 -0.788 1
1 639 . 3 1 1 A 52 52 GLU CA C 52 60.515 59.617 0.898 1
1 640 . 3 1 1 A 52 52 GLU CB C 52 29.418 28.998 0.420 1
1 642 . 3 1 1 A 52 52 GLU N N 52 122.067 126.484 -4.417 1
1 643 . 3 1 1 A 53 53 ARG H H 53 8.213 7.367 0.846 1
1 644 . 3 1 1 A 53 53 ARG HA H 53 3.740 4.026 -0.286 1
1 652 . 3 1 1 A 53 53 ARG C C 53 177.698 178.526 -0.828 1
1 653 . 3 1 1 A 53 53 ARG CA C 53 58.635 58.415 0.220 1
1 654 . 3 1 1 A 53 53 ARG CB C 53 30.257 29.884 0.373 1
1 658 . 3 1 1 A 53 53 ARG N N 53 116.853 119.300 -2.447 1
1 660 . 3 1 1 A 54 54 GLU H H 54 7.747 7.872 -0.125 1
1 661 . 3 1 1 A 54 54 GLU HA H 54 3.978 4.041 -0.063 1
1 666 . 3 1 1 A 54 54 GLU C C 54 178.915 178.335 0.580 1
1 667 . 3 1 1 A 54 54 GLU CA C 54 59.312 59.369 -0.057 1
1 668 . 3 1 1 A 54 54 GLU CB C 54 29.678 29.412 0.266 1
1 670 . 3 1 1 A 54 54 GLU N N 54 118.040 119.422 -1.382 1
1 671 . 3 1 1 A 55 55 ALA H H 55 7.932 7.767 0.165 1
1 672 . 3 1 1 A 55 55 ALA HA H 55 3.694 4.168 -0.474 1
1 676 . 3 1 1 A 55 55 ALA C C 55 178.383 180.134 -1.751 1
1 677 . 3 1 1 A 55 55 ALA CA C 55 55.871 55.171 0.700 1
1 678 . 3 1 1 A 55 55 ALA CB C 55 17.664 18.359 -0.695 1
1 679 . 3 1 1 A 55 55 ALA N N 55 122.121 122.269 -0.148 1
1 680 . 3 1 1 A 56 56 LEU H H 56 8.110 8.118 -0.008 1
1 681 . 3 1 1 A 56 56 LEU HA H 56 3.605 3.837 -0.232 1
1 691 . 3 1 1 A 56 56 LEU C C 56 180.273 179.228 1.045 1
1 692 . 3 1 1 A 56 56 LEU CA C 56 58.167 57.640 0.527 1
1 693 . 3 1 1 A 56 56 LEU CB C 56 39.563 40.786 -1.223 1
1 697 . 3 1 1 A 56 56 LEU N N 56 114.908 118.475 -3.567 1
1 698 . 3 1 1 A 57 57 ASP H H 57 8.080 7.926 0.154 1
1 699 . 3 1 1 A 57 57 ASP HA H 57 4.353 4.315 0.038 1
1 702 . 3 1 1 A 57 57 ASP C C 57 179.121 178.528 0.593 1
1 703 . 3 1 1 A 57 57 ASP CA C 57 56.644 57.126 -0.482 1
1 704 . 3 1 1 A 57 57 ASP CB C 57 40.909 41.150 -0.241 1
1 705 . 3 1 1 A 57 57 ASP N N 57 117.019 119.637 -2.618 1
1 706 . 3 1 1 A 58 58 ARG H H 58 8.584 8.658 -0.074 1
1 707 . 3 1 1 A 58 58 ARG HA H 58 3.728 4.004 -0.276 1
1 715 . 3 1 1 A 58 58 ARG C C 58 177.362 176.565 0.797 1
1 716 . 3 1 1 A 58 58 ARG CA C 58 59.141 58.422 0.719 1
1 717 . 3 1 1 A 58 58 ARG CB C 58 30.462 30.040 0.422 1
1 720 . 3 1 1 A 58 58 ARG N N 58 119.926 118.134 1.792 1
1 722 . 3 1 1 A 59 59 TYR H H 59 7.133 7.516 -0.383 1
1 723 . 3 1 1 A 59 59 TYR HA H 59 5.018 4.734 0.284 1
1 730 . 3 1 1 A 59 59 TYR C C 59 173.865 174.786 -0.921 1
1 731 . 3 1 1 A 59 59 TYR CA C 59 57.348 57.862 -0.514 1
1 732 . 3 1 1 A 59 59 TYR CB C 59 38.052 39.308 -1.256 1
1 737 . 3 1 1 A 59 59 TYR N N 59 111.796 118.079 -6.283 1
1 738 . 3 1 1 A 60 60 SER H H 60 7.542 7.847 -0.305 1
1 739 . 3 1 1 A 60 60 SER HA H 60 4.082 4.198 -0.116 1
1 742 . 3 1 1 A 60 60 SER C C 60 176.402 173.236 3.166 1
1 743 . 3 1 1 A 60 60 SER CA C 60 58.482 59.061 -0.579 1
1 744 . 3 1 1 A 60 60 SER CB C 60 61.229 61.231 -0.002 1
1 745 . 3 1 1 A 60 60 SER N N 60 114.624 112.224 2.400 1
1 746 . 3 1 1 A 61 61 LEU H H 61 8.228 8.028 0.200 1
1 747 . 3 1 1 A 61 61 LEU HA H 61 4.583 4.664 -0.081 1
1 757 . 3 1 1 A 61 61 LEU C C 61 176.463 176.457 0.006 1
1 758 . 3 1 1 A 61 61 LEU CA C 61 52.478 53.424 -0.946 1
1 759 . 3 1 1 A 61 61 LEU CB C 61 45.873 43.756 2.117 1
1 763 . 3 1 1 A 61 61 LEU N N 61 119.424 121.651 -2.227 1
1 764 . 3 1 1 A 62 62 SER H H 62 8.376 8.933 -0.557 1
1 765 . 3 1 1 A 62 62 SER HA H 62 4.555 4.598 -0.043 1
1 768 . 3 1 1 A 62 62 SER C C 62 175.088 175.722 -0.634 1
1 769 . 3 1 1 A 62 62 SER CA C 62 56.123 57.423 -1.300 1
1 770 . 3 1 1 A 62 62 SER CB C 62 65.560 64.662 0.898 1
1 771 . 3 1 1 A 62 62 SER N N 62 115.890 118.246 -2.356 1
1 772 . 3 1 1 A 63 63 GLU H H 63 9.204 9.018 0.186 1
1 773 . 3 1 1 A 63 63 GLU HA H 63 3.806 3.890 -0.084 1
1 778 . 3 1 1 A 63 63 GLU C C 63 179.412 178.146 1.266 1
1 779 . 3 1 1 A 63 63 GLU CA C 63 60.338 59.589 0.749 1
1 780 . 3 1 1 A 63 63 GLU CB C 63 29.354 29.147 0.207 1
1 782 . 3 1 1 A 63 63 GLU N N 63 122.263 124.024 -1.761 1
1 783 . 3 1 1 A 64 64 GLU H H 64 8.859 8.459 0.400 1
1 784 . 3 1 1 A 64 64 GLU HA H 64 3.969 3.995 -0.026 1
1 789 . 3 1 1 A 64 64 GLU C C 64 178.700 178.774 -0.074 1
1 790 . 3 1 1 A 64 64 GLU CA C 64 59.822 59.359 0.463 1
1 791 . 3 1 1 A 64 64 GLU CB C 64 29.210 29.161 0.049 1
1 793 . 3 1 1 A 64 64 GLU N N 64 119.056 117.540 1.516 1
1 794 . 3 1 1 A 65 65 GLU H H 65 7.864 7.637 0.227 1
1 795 . 3 1 1 A 65 65 GLU HA H 65 3.960 4.024 -0.064 1
1 800 . 3 1 1 A 65 65 GLU C C 65 177.783 178.784 -1.001 1
1 801 . 3 1 1 A 65 65 GLU CA C 65 58.817 59.382 -0.565 1
1 802 . 3 1 1 A 65 65 GLU CB C 65 29.452 29.363 0.089 1
1 804 . 3 1 1 A 65 65 GLU N N 65 121.783 120.231 1.552 1
1 805 . 3 1 1 A 66 66 PHE H H 66 7.918 7.873 0.045 1
1 806 . 3 1 1 A 66 66 PHE HA H 66 3.294 3.612 -0.318 1
1 814 . 3 1 1 A 66 66 PHE C C 66 177.021 177.838 -0.817 1
1 815 . 3 1 1 A 66 66 PHE CA C 66 61.197 61.282 -0.085 1
1 816 . 3 1 1 A 66 66 PHE CB C 66 39.279 39.080 0.199 1
1 820 . 3 1 1 A 66 66 PHE N N 66 117.902 120.350 -2.448 1
1 821 . 3 1 1 A 67 67 ALA H H 67 8.011 8.158 -0.147 1
1 822 . 3 1 1 A 67 67 ALA HA H 67 3.839 4.074 -0.235 1
1 826 . 3 1 1 A 67 67 ALA C C 67 181.069 179.919 1.150 1
1 827 . 3 1 1 A 67 67 ALA CA C 67 55.296 55.259 0.037 1
1 828 . 3 1 1 A 67 67 ALA CB C 67 17.648 18.018 -0.370 1
1 829 . 3 1 1 A 67 67 ALA N N 67 119.951 121.233 -1.282 1
1 830 . 3 1 1 A 68 68 LEU H H 68 7.431 7.939 -0.508 1
1 831 . 3 1 1 A 68 68 LEU HA H 68 4.162 4.001 0.161 1
1 841 . 3 1 1 A 68 68 LEU C C 68 180.631 179.392 1.239 1
1 842 . 3 1 1 A 68 68 LEU CA C 68 57.621 57.931 -0.310 1
1 843 . 3 1 1 A 68 68 LEU CB C 68 41.083 42.351 -1.268 1
1 847 . 3 1 1 A 68 68 LEU N N 68 119.888 118.547 1.341 1
1 848 . 3 1 1 A 69 69 TRP H H 69 8.288 8.355 -0.067 1
1 849 . 3 1 1 A 69 69 TRP HA H 69 4.341 4.186 0.155 1
1 858 . 3 1 1 A 69 69 TRP C C 69 179.178 179.100 0.078 1
1 859 . 3 1 1 A 69 69 TRP CA C 69 59.228 60.273 -1.045 1
1 860 . 3 1 1 A 69 69 TRP CB C 69 28.387 28.780 -0.393 1
1 866 . 3 1 1 A 69 69 TRP N N 69 122.616 118.952 3.664 1
1 868 . 3 1 1 A 70 70 ARG H H 70 8.291 7.982 0.309 1
1 869 . 3 1 1 A 70 70 ARG HA H 70 3.743 3.967 -0.224 1
1 877 . 3 1 1 A 70 70 ARG C C 70 178.811 178.237 0.574 1
1 878 . 3 1 1 A 70 70 ARG CA C 70 59.614 58.652 0.962 1
1 879 . 3 1 1 A 70 70 ARG CB C 70 30.171 29.825 0.346 1
1 882 . 3 1 1 A 70 70 ARG N N 70 117.864 117.964 -0.100 1
1 884 . 3 1 1 A 71 71 SER H H 71 8.000 7.692 0.308 1
1 885 . 3 1 1 A 71 71 SER HA H 71 4.212 4.247 -0.035 1
1 888 . 3 1 1 A 71 71 SER C C 71 176.074 176.215 -0.141 1
1 889 . 3 1 1 A 71 71 SER CA C 71 61.074 61.621 -0.547 1
1 890 . 3 1 1 A 71 71 SER CB C 71 62.891 63.214 -0.323 1
1 891 . 3 1 1 A 71 71 SER N N 71 114.582 117.440 -2.858 1
1 892 . 3 1 1 A 72 72 ALA H H 72 7.816 7.917 -0.101 1
1 893 . 3 1 1 A 72 72 ALA HA H 72 4.230 4.196 0.034 1
1 897 . 3 1 1 A 72 72 ALA C C 72 179.631 180.222 -0.591 1
1 898 . 3 1 1 A 72 72 ALA CA C 72 54.245 54.962 -0.717 1
1 899 . 3 1 1 A 72 72 ALA CB C 72 18.687 18.640 0.047 1
1 900 . 3 1 1 A 72 72 ALA N N 72 124.141 123.567 0.574 1
1 901 . 3 1 1 A 73 73 VAL H H 73 7.728 8.122 -0.394 1
1 902 . 3 1 1 A 73 73 VAL HA H 73 3.850 3.529 0.321 1
1 910 . 3 1 1 A 73 73 VAL C C 73 177.286 178.129 -0.843 1
1 911 . 3 1 1 A 73 73 VAL CA C 73 64.163 66.464 -2.301 1
1 912 . 3 1 1 A 73 73 VAL CB C 73 32.466 31.416 1.050 1
1 915 . 3 1 1 A 73 73 VAL N N 73 117.289 118.580 -1.291 1
1 916 . 3 1 1 A 74 74 ALA H H 74 7.960 8.104 -0.144 1
1 917 . 3 1 1 A 74 74 ALA HA H 74 4.195 4.015 0.180 1
1 921 . 3 1 1 A 74 74 ALA C C 74 178.318 180.156 -1.838 1
1 922 . 3 1 1 A 74 74 ALA CA C 74 53.559 55.271 -1.712 1
1 923 . 3 1 1 A 74 74 ALA CB C 74 18.612 18.176 0.436 1
1 924 . 3 1 1 A 74 74 ALA N N 74 123.977 122.431 1.546 1
1 925 . 3 1 1 A 75 75 ALA H H 75 7.889 7.687 0.202 1
1 926 . 3 1 1 A 75 75 ALA HA H 75 4.214 4.342 -0.128 1
1 930 . 3 1 1 A 75 75 ALA C C 75 178.233 177.767 0.466 1
1 931 . 3 1 1 A 75 75 ALA CA C 75 53.242 52.828 0.414 1
1 932 . 3 1 1 A 75 75 ALA CB C 75 18.812 19.606 -0.794 1
1 933 . 3 1 1 A 75 75 ALA N N 75 120.956 118.938 2.018 1
1 934 . 3 1 1 A 76 76 HIS H H 76 8.057 7.592 0.465 1
1 935 . 3 1 1 A 76 76 HIS HA H 76 4.585 4.229 0.356 1
1 939 . 3 1 1 A 76 76 HIS C C 76 176.217 176.443 -0.226 1
1 940 . 3 1 1 A 76 76 HIS CA C 76 56.644 57.929 -1.285 1
1 941 . 3 1 1 A 76 76 HIS CB C 76 30.282 29.405 0.877 1
1 943 . 3 1 1 A 76 76 HIS N N 76 117.302 119.018 -1.716 1
1 944 . 3 1 1 A 77 77 GLY H H 77 8.229 8.820 -0.591 1
1 945 . 3 1 1 A 77 77 GLY HA2 H 77 3.951 3.783 0.168 1
1 946 . 3 1 1 A 77 77 GLY HA3 H 77 3.951 3.888 0.063 1
1 947 . 3 1 1 A 77 77 GLY C C 77 174.415 175.566 -1.151 1
1 948 . 3 1 1 A 77 77 GLY CA C 77 45.560 46.420 -0.860 1
1 949 . 3 1 1 A 77 77 GLY N N 77 109.118 114.503 -5.385 1
1 950 . 3 1 1 A 78 78 GLU H H 78 8.335 8.134 0.201 1
1 951 . 3 1 1 A 78 78 GLU HA H 78 4.210 4.201 0.009 1
1 956 . 3 1 1 A 78 78 GLU C C 78 177.052 177.388 -0.336 1
1 957 . 3 1 1 A 78 78 GLU CA C 78 56.836 59.126 -2.290 1
1 958 . 3 1 1 A 78 78 GLU CB C 78 30.136 28.937 1.199 1
1 960 . 3 1 1 A 78 78 GLU N N 78 120.947 120.633 0.314 1
1 961 . 3 1 1 A 79 79 LYS H H 79 8.299 7.382 0.917 1
1 962 . 3 1 1 A 79 79 LYS HA H 79 4.205 4.306 -0.101 1
1 971 . 3 1 1 A 79 79 LYS C C 79 176.656 175.429 1.227 1
1 972 . 3 1 1 A 79 79 LYS CA C 79 57.057 56.167 0.890 1
1 973 . 3 1 1 A 79 79 LYS CB C 79 32.811 33.066 -0.255 1
1 977 . 3 1 1 A 79 79 LYS N N 79 121.638 117.077 4.561 1
1 978 . 3 1 1 A 80 80 ALA H H 80 8.142 7.654 0.488 1
1 979 . 3 1 1 A 80 80 ALA HA H 80 4.245 4.650 -0.405 1
1 983 . 3 1 1 A 80 80 ALA C C 80 177.868 176.414 1.454 1
1 984 . 3 1 1 A 80 80 ALA CA C 80 52.706 50.544 2.162 1
1 985 . 3 1 1 A 80 80 ALA CB C 80 19.117 20.236 -1.119 1
1 986 . 3 1 1 A 80 80 ALA N N 80 123.770 123.937 -0.167 1
1 987 . 3 1 1 A 81 81 LEU H H 81 8.040 9.128 -1.088 1
1 988 . 3 1 1 A 81 81 LEU HA H 81 4.245 4.877 -0.632 1
1 998 . 3 1 1 A 81 81 LEU C C 81 177.434 175.509 1.925 1
1 999 . 3 1 1 A 81 81 LEU CA C 81 55.673 53.900 1.773 1
1 1000 . 3 1 1 A 81 81 LEU CB C 81 42.160 42.175 -0.015 1
1 1004 . 3 1 1 A 81 81 LEU N N 81 120.893 125.342 -4.449 1
1 1005 . 3 1 1 A 82 82 LYS H H 82 8.178 8.169 0.009 1
1 1006 . 3 1 1 A 82 82 LYS HA H 82 4.283 4.477 -0.194 1
1 1015 . 3 1 1 A 82 82 LYS C C 82 176.810 177.650 -0.840 1
1 1016 . 3 1 1 A 82 82 LYS CA C 82 56.715 55.605 1.110 1
1 1017 . 3 1 1 A 82 82 LYS CB C 82 32.846 33.879 -1.033 1
1 1021 . 3 1 1 A 82 82 LYS N N 82 121.957 124.310 -2.353 1
1 1022 . 3 1 1 A 83 83 VAL H H 83 8.123 8.559 -0.436 1
1 1023 . 3 1 1 A 83 83 VAL HA H 83 4.093 3.919 0.174 1
1 1031 . 3 1 1 A 83 83 VAL C C 83 176.604 177.379 -0.775 1
1 1032 . 3 1 1 A 83 83 VAL CA C 83 62.964 65.291 -2.327 1
1 1033 . 3 1 1 A 83 83 VAL CB C 83 32.742 31.786 0.956 1
1 1036 . 3 1 1 A 83 83 VAL N N 83 121.150 125.609 -4.459 1
1 1037 . 3 1 1 A 84 84 THR H H 84 8.162 7.532 0.630 1
1 1038 . 3 1 1 A 84 84 THR HA H 84 4.276 4.448 -0.172 1
1 1043 . 3 1 1 A 84 84 THR C C 84 174.773 175.416 -0.643 1
1 1044 . 3 1 1 A 84 84 THR CA C 84 62.558 62.134 0.424 1
1 1045 . 3 1 1 A 84 84 THR CB C 84 69.726 69.121 0.605 1
1 1047 . 3 1 1 A 84 84 THR N N 84 117.587 114.616 2.971 1
1 1048 . 3 1 1 A 85 85 MET H H 85 8.353 8.290 0.063 1
1 1049 . 3 1 1 A 85 85 MET HA H 85 4.448 4.462 -0.014 1
1 1054 . 3 1 1 A 85 85 MET C C 85 176.518 178.217 -1.699 1
1 1055 . 3 1 1 A 85 85 MET CA C 85 56.074 57.206 -1.132 1
1 1056 . 3 1 1 A 85 85 MET CB C 85 32.837 33.111 -0.274 1
1 1058 . 3 1 1 A 85 85 MET N N 85 122.707 118.876 3.831 1
1 1059 . 3 1 1 A 86 86 ILE H H 86 8.113 7.963 0.150 1
1 1060 . 3 1 1 A 86 86 ILE HA H 86 4.061 3.787 0.274 1
1 1070 . 3 1 1 A 86 86 ILE C C 86 176.712 177.956 -1.244 1
1 1071 . 3 1 1 A 86 86 ILE CA C 86 62.006 65.206 -3.200 1
1 1072 . 3 1 1 A 86 86 ILE CB C 86 38.402 37.674 0.728 1
1 1076 . 3 1 1 A 86 86 ILE N N 86 121.834 121.249 0.585 1
1 1077 . 3 1 1 A 87 87 GLN H H 87 8.328 8.129 0.199 1
1 1078 . 3 1 1 A 87 87 GLN HA H 87 4.190 3.986 0.204 1
1 1085 . 3 1 1 A 87 87 GLN C C 87 176.617 177.931 -1.314 1
1 1086 . 3 1 1 A 87 87 GLN CA C 87 56.798 58.980 -2.182 1
1 1087 . 3 1 1 A 87 87 GLN CB C 87 29.044 28.298 0.746 1
1 1089 . 3 1 1 A 87 87 GLN N N 87 123.529 120.217 3.312 1
1 1091 . 3 1 1 A 88 88 LYS H H 88 8.232 7.463 0.769 1
1 1092 . 3 1 1 A 88 88 LYS HA H 88 4.133 3.904 0.229 1
1 1101 . 3 1 1 A 88 88 LYS C C 88 176.983 177.444 -0.461 1
1 1102 . 3 1 1 A 88 88 LYS CA C 88 57.289 58.532 -1.243 1
1 1103 . 3 1 1 A 88 88 LYS CB C 88 32.806 31.668 1.138 1
1 1107 . 3 1 1 A 88 88 LYS N N 88 121.677 119.112 2.565 1
1 1108 . 3 1 1 A 89 89 TYR H H 89 8.086 7.319 0.767 1
1 1109 . 3 1 1 A 89 89 TYR HA H 89 4.492 4.409 0.083 1
1 1116 . 3 1 1 A 89 89 TYR C C 89 176.250 177.191 -0.941 1
1 1117 . 3 1 1 A 89 89 TYR CA C 89 58.546 59.738 -1.192 1
1 1118 . 3 1 1 A 89 89 TYR CB C 89 38.410 38.664 -0.254 1
1 1123 . 3 1 1 A 89 89 TYR N N 89 119.993 118.034 1.959 1
1 1124 . 3 1 1 A 90 90 ARG H H 90 8.127 7.429 0.698 1
1 1125 . 3 1 1 A 90 90 ARG HA H 90 4.119 4.342 -0.223 1
1 1132 . 3 1 1 A 90 90 ARG C C 90 176.628 177.694 -1.066 1
1 1133 . 3 1 1 A 90 90 ARG CA C 90 57.085 57.250 -0.165 1
1 1134 . 3 1 1 A 90 90 ARG CB C 90 30.568 30.823 -0.255 1
1 1137 . 3 1 1 A 90 90 ARG N N 90 121.679 120.123 1.556 1
1 1138 . 3 1 1 A 91 91 GLN H H 91 8.232 7.561 0.671 1
1 1139 . 3 1 1 A 91 91 GLN HA H 91 4.179 4.229 -0.050 1
1 1146 . 3 1 1 A 91 91 GLN C C 91 176.491 176.576 -0.085 1
1 1147 . 3 1 1 A 91 91 GLN CA C 91 56.800 56.812 -0.012 1
1 1148 . 3 1 1 A 91 91 GLN CB C 91 29.129 29.196 -0.067 1
1 1150 . 3 1 1 A 91 91 GLN N N 91 120.420 116.636 3.784 1
1 1152 . 3 1 1 A 92 92 LEU H H 92 8.118 7.093 1.025 1
1 1153 . 3 1 1 A 92 92 LEU HA H 92 4.269 4.373 -0.104 1
1 1162 . 3 1 1 A 92 92 LEU C C 92 177.632 176.065 1.567 1
1 1163 . 3 1 1 A 92 92 LEU CA C 92 55.419 54.445 0.974 1
1 1164 . 3 1 1 A 92 92 LEU CB C 92 42.238 40.774 1.464 1
1 1167 . 3 1 1 A 92 92 LEU N N 92 122.670 122.514 0.156 1
1 1168 . 3 1 1 A 93 93 HIS H H 93 8.049 8.509 -0.460 1
1 1169 . 3 1 1 A 93 93 HIS HA H 93 4.228 4.736 -0.508 1
1 1172 . 3 1 1 A 93 93 HIS C C 93 177.608 174.494 3.114 1
1 1173 . 3 1 1 A 93 93 HIS CA C 93 55.512 55.918 -0.406 1
1 1174 . 3 1 1 A 93 93 HIS CB C 93 42.238 30.904 11.334 1
1 1175 . 3 1 1 A 93 93 HIS N N 93 121.742 124.150 -2.408 1
1 1176 . 3 1 1 A 94 94 HIS H H 94 8.153 8.892 -0.739 1
1 1177 . 3 1 1 A 94 94 HIS HA H 94 4.141 4.419 -0.278 1
1 1180 . 3 1 1 A 94 94 HIS CA C 94 56.804 56.393 0.411 1
1 1181 . 3 1 1 A 94 94 HIS CB C 94 30.254 29.740 0.514 1
1 1182 . 3 1 1 A 94 94 HIS N N 94 120.504 125.564 -5.060 1
1 1 . 4 1 1 A 2 2 TYR HA H 2 4.593 4.849 -0.256 1
1 8 . 4 1 1 A 2 2 TYR C C 2 174.805 174.681 0.124 1
1 9 . 4 1 1 A 2 2 TYR CA C 2 57.884 58.303 -0.419 1
1 10 . 4 1 1 A 2 2 TYR CB C 2 38.790 39.801 -1.011 1
1 15 . 4 1 1 A 3 3 LEU H H 3 8.189 7.856 0.333 1
1 16 . 4 1 1 A 3 3 LEU HA H 3 4.268 4.118 0.150 1
1 25 . 4 1 1 A 3 3 LEU C C 3 176.110 175.711 0.399 1
1 26 . 4 1 1 A 3 3 LEU CA C 3 54.574 54.293 0.281 1
1 27 . 4 1 1 A 3 3 LEU CB C 3 42.796 41.429 1.367 1
1 30 . 4 1 1 A 3 3 LEU N N 3 126.201 128.009 -1.808 1
1 31 . 4 1 1 A 4 4 LYS H H 4 8.132 8.620 -0.488 1
1 32 . 4 1 1 A 4 4 LYS HA H 4 4.336 4.863 -0.527 1
1 35 . 4 1 1 A 4 4 LYS C C 4 175.828 175.291 0.537 1
1 36 . 4 1 1 A 4 4 LYS CA C 4 56.186 55.073 1.113 1
1 37 . 4 1 1 A 4 4 LYS CB C 4 33.084 33.259 -0.175 1
1 38 . 4 1 1 A 4 4 LYS N N 4 123.332 127.909 -4.577 1
1 39 . 4 1 1 A 5 5 ARG H H 5 8.537 8.263 0.274 1
1 40 . 4 1 1 A 5 5 ARG HA H 5 4.327 4.633 -0.306 1
1 47 . 4 1 1 A 5 5 ARG C C 5 176.158 173.976 2.182 1
1 48 . 4 1 1 A 5 5 ARG CA C 5 56.076 55.420 0.656 1
1 49 . 4 1 1 A 5 5 ARG CB C 5 31.028 34.298 -3.270 1
1 52 . 4 1 1 A 5 5 ARG N N 5 124.828 126.045 -1.217 1
1 53 . 4 1 1 A 6 6 VAL H H 6 8.344 8.832 -0.488 1
1 54 . 4 1 1 A 6 6 VAL HA H 6 4.154 4.121 0.033 1
1 62 . 4 1 1 A 6 6 VAL C C 6 175.662 174.332 1.330 1
1 63 . 4 1 1 A 6 6 VAL CA C 6 61.973 63.063 -1.090 1
1 64 . 4 1 1 A 6 6 VAL CB C 6 32.937 30.874 2.063 1
1 66 . 4 1 1 A 6 6 VAL N N 6 122.153 124.571 -2.418 1
1 67 . 4 1 1 A 7 7 ASP H H 7 8.469 8.549 -0.080 1
1 68 . 4 1 1 A 7 7 ASP HA H 7 4.681 4.929 -0.248 1
1 71 . 4 1 1 A 7 7 ASP C C 7 176.217 175.586 0.631 1
1 72 . 4 1 1 A 7 7 ASP CA C 7 54.202 52.860 1.342 1
1 73 . 4 1 1 A 7 7 ASP CB C 7 41.583 41.275 0.308 1
1 74 . 4 1 1 A 7 7 ASP N N 7 124.555 129.549 -4.994 1
1 75 . 4 1 1 A 8 8 GLY H H 8 8.185 8.748 -0.563 1
1 76 . 4 1 1 A 8 8 GLY HA2 H 8 4.184 4.098 0.086 1
1 77 . 4 1 1 A 8 8 GLY HA3 H 8 4.070 4.099 -0.029 1
1 78 . 4 1 1 A 8 8 GLY C C 8 171.436 172.695 -1.259 1
1 79 . 4 1 1 A 8 8 GLY CA C 8 44.634 43.992 0.642 1
1 80 . 4 1 1 A 8 8 GLY N N 8 109.085 113.265 -4.180 1
1 81 . 4 1 1 A 9 9 PRO HA H 9 4.510 4.678 -0.168 1
1 88 . 4 1 1 A 9 9 PRO C C 9 176.784 177.039 -0.255 1
1 89 . 4 1 1 A 9 9 PRO CA C 9 62.869 62.735 0.134 1
1 90 . 4 1 1 A 9 9 PRO CB C 9 32.364 32.450 -0.086 1
1 93 . 4 1 1 A 10 10 ARG H H 10 8.761 8.956 -0.195 1
1 94 . 4 1 1 A 10 10 ARG HA H 10 4.165 4.272 -0.107 1
1 99 . 4 1 1 A 10 10 ARG C C 10 175.911 176.057 -0.146 1
1 100 . 4 1 1 A 10 10 ARG CA C 10 57.463 57.002 0.461 1
1 101 . 4 1 1 A 10 10 ARG CB C 10 31.030 31.158 -0.128 1
1 103 . 4 1 1 A 10 10 ARG N N 10 120.390 119.451 0.939 1
1 104 . 4 1 1 A 11 11 GLN H H 11 7.790 7.914 -0.124 1
1 105 . 4 1 1 A 11 11 GLN HA H 11 5.173 5.068 0.105 1
1 112 . 4 1 1 A 11 11 GLN C C 11 173.893 173.575 0.318 1
1 113 . 4 1 1 A 11 11 GLN CA C 11 54.402 54.437 -0.035 1
1 114 . 4 1 1 A 11 11 GLN CB C 11 31.366 31.810 -0.444 1
1 116 . 4 1 1 A 11 11 GLN N N 11 114.694 116.490 -1.796 1
1 118 . 4 1 1 A 12 12 VAL H H 12 8.803 9.134 -0.331 1
1 119 . 4 1 1 A 12 12 VAL HA H 12 4.625 4.983 -0.358 1
1 127 . 4 1 1 A 12 12 VAL C C 12 173.796 174.464 -0.668 1
1 128 . 4 1 1 A 12 12 VAL CA C 12 60.127 59.153 0.974 1
1 129 . 4 1 1 A 12 12 VAL CB C 12 35.590 36.083 -0.493 1
1 132 . 4 1 1 A 12 12 VAL N N 12 115.575 117.407 -1.832 1
1 133 . 4 1 1 A 13 13 THR H H 13 8.553 8.463 0.090 1
1 134 . 4 1 1 A 13 13 THR HA H 13 4.772 4.997 -0.225 1
1 139 . 4 1 1 A 13 13 THR C C 13 174.526 173.953 0.573 1
1 140 . 4 1 1 A 13 13 THR CA C 13 61.880 61.221 0.659 1
1 141 . 4 1 1 A 13 13 THR CB C 13 69.319 70.703 -1.384 1
1 143 . 4 1 1 A 13 13 THR N N 13 119.282 116.272 3.010 1
1 144 . 4 1 1 A 14 14 LEU H H 14 9.254 9.030 0.224 1
1 145 . 4 1 1 A 14 14 LEU HA H 14 4.210 4.398 -0.188 1
1 155 . 4 1 1 A 14 14 LEU C C 14 177.361 176.697 0.664 1
1 156 . 4 1 1 A 14 14 LEU CA C 14 54.116 52.593 1.523 1
1 157 . 4 1 1 A 14 14 LEU CB C 14 39.546 41.927 -2.381 1
1 161 . 4 1 1 A 14 14 LEU N N 14 129.147 126.459 2.688 1
1 162 . 4 1 1 A 15 15 PRO HA H 15 4.294 4.532 -0.238 1
1 169 . 4 1 1 A 15 15 PRO C C 15 176.570 176.936 -0.366 1
1 170 . 4 1 1 A 15 15 PRO CA C 15 65.392 64.338 1.054 1
1 171 . 4 1 1 A 15 15 PRO CB C 15 31.808 31.714 0.094 1
1 174 . 4 1 1 A 16 16 ASP H H 16 7.397 7.974 -0.577 1
1 175 . 4 1 1 A 16 16 ASP HA H 16 4.486 4.711 -0.225 1
1 178 . 4 1 1 A 16 16 ASP C C 16 177.056 176.772 0.284 1
1 179 . 4 1 1 A 16 16 ASP CA C 16 53.157 53.695 -0.538 1
1 180 . 4 1 1 A 16 16 ASP CB C 16 39.987 41.388 -1.401 1
1 181 . 4 1 1 A 16 16 ASP N N 16 113.036 115.981 -2.945 1
1 182 . 4 1 1 A 17 17 GLY H H 17 8.399 8.038 0.361 1
1 183 . 4 1 1 A 17 17 GLY HA2 H 17 4.293 3.965 0.328 1
1 184 . 4 1 1 A 17 17 GLY HA3 H 17 3.481 3.973 -0.492 1
1 185 . 4 1 1 A 17 17 GLY C C 17 174.700 174.324 0.376 1
1 186 . 4 1 1 A 17 17 GLY CA C 17 44.998 45.181 -0.183 1
1 187 . 4 1 1 A 17 17 GLY N N 17 108.859 108.088 0.771 1
1 188 . 4 1 1 A 18 18 THR H H 18 8.003 7.807 0.196 1
1 189 . 4 1 1 A 18 18 THR HA H 18 4.151 4.465 -0.314 1
1 194 . 4 1 1 A 18 18 THR C C 18 172.576 173.886 -1.310 1
1 195 . 4 1 1 A 18 18 THR CA C 18 63.144 61.700 1.444 1
1 196 . 4 1 1 A 18 18 THR CB C 18 69.888 70.094 -0.206 1
1 198 . 4 1 1 A 18 18 THR N N 18 116.015 117.072 -1.057 1
1 199 . 4 1 1 A 19 19 VAL H H 19 8.384 8.486 -0.102 1
1 200 . 4 1 1 A 19 19 VAL HA H 19 4.726 4.717 0.009 1
1 208 . 4 1 1 A 19 19 VAL C C 19 175.823 173.893 1.930 1
1 209 . 4 1 1 A 19 19 VAL CA C 19 61.491 61.081 0.410 1
1 210 . 4 1 1 A 19 19 VAL CB C 19 33.757 33.230 0.527 1
1 213 . 4 1 1 A 19 19 VAL N N 19 121.723 122.175 -0.452 1
1 214 . 4 1 1 A 20 20 LEU H H 20 8.948 9.384 -0.436 1
1 215 . 4 1 1 A 20 20 LEU HA H 20 4.784 5.163 -0.379 1
1 225 . 4 1 1 A 20 20 LEU C C 20 174.749 176.147 -1.398 1
1 226 . 4 1 1 A 20 20 LEU CA C 20 53.616 53.413 0.203 1
1 227 . 4 1 1 A 20 20 LEU CB C 20 45.062 44.607 0.455 1
1 231 . 4 1 1 A 20 20 LEU N N 20 129.673 130.559 -0.886 1
1 232 . 4 1 1 A 21 21 SER H H 21 9.246 9.362 -0.116 1
1 233 . 4 1 1 A 21 21 SER HA H 21 5.207 5.319 -0.112 1
1 236 . 4 1 1 A 21 21 SER C C 21 176.047 176.056 -0.009 1
1 237 . 4 1 1 A 21 21 SER CA C 21 56.523 56.685 -0.162 1
1 238 . 4 1 1 A 21 21 SER CB C 21 66.369 66.161 0.208 1
1 239 . 4 1 1 A 21 21 SER N N 21 120.387 119.106 1.281 1
1 240 . 4 1 1 A 22 22 ARG H H 22 8.847 8.956 -0.109 1
1 241 . 4 1 1 A 22 22 ARG HA H 22 3.868 4.318 -0.450 1
1 248 . 4 1 1 A 22 22 ARG C C 22 178.388 176.816 1.572 1
1 249 . 4 1 1 A 22 22 ARG CA C 22 60.207 58.346 1.861 1
1 250 . 4 1 1 A 22 22 ARG CB C 22 29.118 30.065 -0.947 1
1 253 . 4 1 1 A 22 22 ARG N N 22 122.878 121.092 1.786 1
1 254 . 4 1 1 A 23 23 ALA H H 23 8.243 7.741 0.502 1
1 255 . 4 1 1 A 23 23 ALA HA H 23 4.175 4.265 -0.090 1
1 259 . 4 1 1 A 23 23 ALA C C 23 177.763 178.145 -0.382 1
1 260 . 4 1 1 A 23 23 ALA CA C 23 54.000 52.785 1.215 1
1 261 . 4 1 1 A 23 23 ALA CB C 23 18.461 19.408 -0.947 1
1 262 . 4 1 1 A 23 23 ALA N N 23 121.050 121.497 -0.447 1
1 263 . 4 1 1 A 24 24 ASP H H 24 7.597 7.739 -0.142 1
1 264 . 4 1 1 A 24 24 ASP HA H 24 4.632 4.689 -0.057 1
1 267 . 4 1 1 A 24 24 ASP C C 24 176.608 176.977 -0.369 1
1 268 . 4 1 1 A 24 24 ASP CA C 24 54.726 55.223 -0.497 1
1 269 . 4 1 1 A 24 24 ASP CB C 24 42.026 41.469 0.557 1
1 270 . 4 1 1 A 24 24 ASP N N 24 115.095 116.527 -1.432 1
1 271 . 4 1 1 A 25 25 LEU H H 25 7.311 7.370 -0.059 1
1 272 . 4 1 1 A 25 25 LEU HA H 25 4.402 4.482 -0.080 1
1 282 . 4 1 1 A 25 25 LEU C C 25 174.724 174.961 -0.237 1
1 283 . 4 1 1 A 25 25 LEU CA C 25 53.307 53.948 -0.641 1
1 284 . 4 1 1 A 25 25 LEU CB C 25 40.047 42.180 -2.133 1
1 288 . 4 1 1 A 25 25 LEU N N 25 119.781 123.132 -3.351 1
1 289 . 4 1 1 A 26 26 PRO HA H 26 4.745 4.693 0.052 1
1 296 . 4 1 1 A 26 26 PRO CA C 26 61.496 61.889 -0.393 1
1 297 . 4 1 1 A 26 26 PRO CB C 26 30.700 31.897 -1.197 1
1 300 . 4 1 1 A 27 27 PRO HA H 27 4.598 4.630 -0.032 1
1 307 . 4 1 1 A 27 27 PRO C C 27 178.036 177.100 0.936 1
1 308 . 4 1 1 A 27 27 PRO CA C 27 62.923 62.742 0.181 1
1 309 . 4 1 1 A 27 27 PRO CB C 27 32.758 32.508 0.250 1
1 312 . 4 1 1 A 28 28 LEU H H 28 8.880 8.503 0.377 1
1 313 . 4 1 1 A 28 28 LEU HA H 28 4.177 4.543 -0.366 1
1 323 . 4 1 1 A 28 28 LEU C C 28 176.873 177.263 -0.390 1
1 324 . 4 1 1 A 28 28 LEU CA C 28 57.833 56.166 1.667 1
1 325 . 4 1 1 A 28 28 LEU CB C 28 41.291 41.192 0.099 1
1 329 . 4 1 1 A 28 28 LEU N N 28 122.643 121.885 0.758 1
1 330 . 4 1 1 A 29 29 ASP H H 29 8.203 8.002 0.201 1
1 331 . 4 1 1 A 29 29 ASP HA H 29 4.615 4.760 -0.145 1
1 334 . 4 1 1 A 29 29 ASP C C 29 176.158 175.921 0.237 1
1 335 . 4 1 1 A 29 29 ASP CA C 29 53.098 54.401 -1.303 1
1 336 . 4 1 1 A 29 29 ASP CB C 29 39.311 41.649 -2.338 1
1 337 . 4 1 1 A 29 29 ASP N N 29 115.741 116.368 -0.627 1
1 338 . 4 1 1 A 30 30 THR H H 30 7.516 7.108 0.408 1
1 339 . 4 1 1 A 30 30 THR HA H 30 3.599 4.058 -0.459 1
1 344 . 4 1 1 A 30 30 THR C C 30 174.366 173.724 0.642 1
1 345 . 4 1 1 A 30 30 THR CA C 30 65.815 63.511 2.304 1
1 346 . 4 1 1 A 30 30 THR CB C 30 69.989 68.499 1.490 1
1 348 . 4 1 1 A 30 30 THR N N 30 116.808 115.166 1.642 1
1 349 . 4 1 1 A 31 31 ARG H H 31 8.482 8.633 -0.151 1
1 350 . 4 1 1 A 31 31 ARG HA H 31 4.583 4.733 -0.150 1
1 358 . 4 1 1 A 31 31 ARG CA C 31 55.399 56.143 -0.744 1
1 359 . 4 1 1 A 31 31 ARG CB C 31 32.296 32.774 -0.478 1
1 362 . 4 1 1 A 31 31 ARG N N 31 124.991 125.473 -0.482 1
1 364 . 4 1 1 A 32 32 ARG HA H 32 4.523 4.352 0.171 1
1 372 . 4 1 1 A 32 32 ARG C C 32 175.341 175.732 -0.391 1
1 373 . 4 1 1 A 32 32 ARG CA C 32 54.759 55.858 -1.099 1
1 374 . 4 1 1 A 32 32 ARG CB C 32 30.348 29.234 1.114 1
1 378 . 4 1 1 A 33 33 TRP H H 33 8.923 8.572 0.351 1
1 379 . 4 1 1 A 33 33 TRP HA H 33 4.292 4.757 -0.465 1
1 388 . 4 1 1 A 33 33 TRP C C 33 176.208 176.407 -0.199 1
1 389 . 4 1 1 A 33 33 TRP CA C 33 56.923 57.434 -0.511 1
1 390 . 4 1 1 A 33 33 TRP CB C 33 28.492 28.711 -0.219 1
1 396 . 4 1 1 A 33 33 TRP N N 33 128.804 123.727 5.077 1
1 398 . 4 1 1 A 34 34 VAL H H 34 6.953 8.384 -1.431 1
1 399 . 4 1 1 A 34 34 VAL HA H 34 4.451 4.451 0.000 1
1 407 . 4 1 1 A 34 34 VAL C C 34 177.217 176.773 0.444 1
1 408 . 4 1 1 A 34 34 VAL CA C 34 60.180 60.689 -0.509 1
1 409 . 4 1 1 A 34 34 VAL CB C 34 32.686 33.959 -1.273 1
1 412 . 4 1 1 A 34 34 VAL N N 34 114.683 123.908 -9.225 1
1 413 . 4 1 1 A 35 35 ALA HA H 35 3.745 3.886 -0.141 1
1 417 . 4 1 1 A 35 35 ALA C C 35 180.114 179.683 0.431 1
1 418 . 4 1 1 A 35 35 ALA CA C 35 56.618 55.393 1.225 1
1 419 . 4 1 1 A 35 35 ALA CB C 35 18.334 18.200 0.134 1
1 420 . 4 1 1 A 36 36 SER H H 36 8.841 7.942 0.899 1
1 421 . 4 1 1 A 36 36 SER HA H 36 4.140 4.092 0.048 1
1 424 . 4 1 1 A 36 36 SER C C 36 177.291 176.494 0.797 1
1 425 . 4 1 1 A 36 36 SER CA C 36 61.250 61.408 -0.158 1
1 426 . 4 1 1 A 36 36 SER CB C 36 61.673 62.805 -1.132 1
1 427 . 4 1 1 A 36 36 SER N N 36 111.913 113.148 -1.235 1
1 428 . 4 1 1 A 37 37 ARG H H 37 7.183 7.885 -0.702 1
1 429 . 4 1 1 A 37 37 ARG HA H 37 4.349 4.252 0.097 1
1 436 . 4 1 1 A 37 37 ARG C C 37 177.816 178.631 -0.815 1
1 437 . 4 1 1 A 37 37 ARG CA C 37 58.944 59.035 -0.091 1
1 438 . 4 1 1 A 37 37 ARG CB C 37 31.009 30.037 0.972 1
1 441 . 4 1 1 A 37 37 ARG N N 37 123.504 121.492 2.012 1
1 442 . 4 1 1 A 38 38 LYS H H 38 7.514 7.922 -0.408 1
1 443 . 4 1 1 A 38 38 LYS HA H 38 3.592 3.263 0.329 1
1 452 . 4 1 1 A 38 38 LYS C C 38 178.935 178.920 0.015 1
1 453 . 4 1 1 A 38 38 LYS CA C 38 59.846 59.043 0.803 1
1 454 . 4 1 1 A 38 38 LYS CB C 38 33.310 31.721 1.589 1
1 458 . 4 1 1 A 38 38 LYS N N 38 118.200 119.167 -0.967 1
1 459 . 4 1 1 A 39 39 ALA H H 39 8.131 8.276 -0.145 1
1 460 . 4 1 1 A 39 39 ALA HA H 39 3.865 4.041 -0.176 1
1 464 . 4 1 1 A 39 39 ALA C C 39 178.995 179.703 -0.708 1
1 465 . 4 1 1 A 39 39 ALA CA C 39 55.093 55.006 0.087 1
1 466 . 4 1 1 A 39 39 ALA CB C 39 18.124 17.794 0.330 1
1 467 . 4 1 1 A 39 39 ALA N N 39 117.547 122.165 -4.618 1
1 468 . 4 1 1 A 40 40 ALA H H 40 7.375 7.902 -0.527 1
1 469 . 4 1 1 A 40 40 ALA HA H 40 4.134 4.104 0.030 1
1 473 . 4 1 1 A 40 40 ALA C C 40 179.512 180.196 -0.684 1
1 474 . 4 1 1 A 40 40 ALA CA C 40 55.506 55.388 0.118 1
1 475 . 4 1 1 A 40 40 ALA CB C 40 18.473 18.296 0.177 1
1 476 . 4 1 1 A 40 40 ALA N N 40 119.346 119.857 -0.511 1
1 477 . 4 1 1 A 41 41 VAL H H 41 7.382 7.787 -0.405 1
1 478 . 4 1 1 A 41 41 VAL HA H 41 3.642 3.790 -0.148 1
1 486 . 4 1 1 A 41 41 VAL C C 41 177.423 178.253 -0.830 1
1 487 . 4 1 1 A 41 41 VAL CA C 41 67.279 67.079 0.200 1
1 488 . 4 1 1 A 41 41 VAL CB C 41 32.149 31.932 0.217 1
1 491 . 4 1 1 A 41 41 VAL N N 41 116.434 118.460 -2.026 1
1 492 . 4 1 1 A 42 42 VAL H H 42 8.332 8.256 0.076 1
1 493 . 4 1 1 A 42 42 VAL HA H 42 3.723 4.031 -0.308 1
1 501 . 4 1 1 A 42 42 VAL C C 42 178.381 177.997 0.384 1
1 502 . 4 1 1 A 42 42 VAL CA C 42 67.698 65.313 2.385 1
1 503 . 4 1 1 A 42 42 VAL CB C 42 32.170 31.181 0.989 1
1 506 . 4 1 1 A 42 42 VAL N N 42 118.061 120.511 -2.450 1
1 507 . 4 1 1 A 43 43 LYS H H 43 8.973 8.429 0.544 1
1 508 . 4 1 1 A 43 43 LYS HA H 43 3.977 4.099 -0.122 1
1 517 . 4 1 1 A 43 43 LYS C C 43 177.830 179.312 -1.482 1
1 518 . 4 1 1 A 43 43 LYS CA C 43 60.343 59.475 0.868 1
1 519 . 4 1 1 A 43 43 LYS CB C 43 32.863 32.165 0.698 1
1 523 . 4 1 1 A 43 43 LYS N N 43 118.026 122.530 -4.504 1
1 524 . 4 1 1 A 44 44 ALA H H 44 7.959 7.877 0.082 1
1 525 . 4 1 1 A 44 44 ALA HA H 44 3.968 4.140 -0.172 1
1 529 . 4 1 1 A 44 44 ALA C C 44 178.921 180.253 -1.332 1
1 530 . 4 1 1 A 44 44 ALA CA C 44 55.324 55.330 -0.006 1
1 531 . 4 1 1 A 44 44 ALA CB C 44 19.816 18.445 1.371 1
1 532 . 4 1 1 A 44 44 ALA N N 44 119.893 122.530 -2.637 1
1 533 . 4 1 1 A 45 45 VAL H H 45 7.789 7.667 0.122 1
1 534 . 4 1 1 A 45 45 VAL HA H 45 4.494 3.986 0.508 1
1 542 . 4 1 1 A 45 45 VAL C C 45 180.590 178.535 2.055 1
1 543 . 4 1 1 A 45 45 VAL CA C 45 64.383 66.777 -2.394 1
1 544 . 4 1 1 A 45 45 VAL CB C 45 32.456 31.571 0.885 1
1 547 . 4 1 1 A 45 45 VAL N N 45 118.569 118.046 0.523 1
1 548 . 4 1 1 A 46 46 ILE H H 46 8.945 8.170 0.775 1
1 549 . 4 1 1 A 46 46 ILE HA H 46 3.689 4.481 -0.792 1
1 559 . 4 1 1 A 46 46 ILE C C 46 178.437 177.260 1.177 1
1 560 . 4 1 1 A 46 46 ILE CA C 46 65.391 63.990 1.401 1
1 561 . 4 1 1 A 46 46 ILE CB C 46 38.182 37.146 1.036 1
1 565 . 4 1 1 A 46 46 ILE N N 46 121.331 119.681 1.650 1
1 566 . 4 1 1 A 47 47 HIS H H 47 8.030 7.698 0.332 1
1 567 . 4 1 1 A 47 47 HIS HA H 47 4.663 4.617 0.046 1
1 572 . 4 1 1 A 47 47 HIS C C 47 175.308 175.272 0.036 1
1 573 . 4 1 1 A 47 47 HIS CA C 47 56.736 55.933 0.803 1
1 574 . 4 1 1 A 47 47 HIS CB C 47 29.482 30.093 -0.611 1
1 577 . 4 1 1 A 47 47 HIS N N 47 113.700 117.132 -3.432 1
1 578 . 4 1 1 A 48 48 GLY H H 48 7.543 7.847 -0.304 1
1 579 . 4 1 1 A 48 48 GLY HA2 H 48 4.026 3.943 0.083 1
1 580 . 4 1 1 A 48 48 GLY HA3 H 48 3.904 3.953 -0.049 1
1 581 . 4 1 1 A 48 48 GLY C C 48 175.172 174.818 0.354 1
1 582 . 4 1 1 A 48 48 GLY CA C 48 46.740 46.725 0.015 1
1 583 . 4 1 1 A 48 48 GLY N N 48 106.113 108.112 -1.999 1
1 584 . 4 1 1 A 49 49 LEU H H 49 8.803 8.219 0.584 1
1 585 . 4 1 1 A 49 49 LEU HA H 49 4.090 4.432 -0.342 1
1 595 . 4 1 1 A 49 49 LEU C C 49 176.111 176.447 -0.336 1
1 596 . 4 1 1 A 49 49 LEU CA C 49 57.575 57.441 0.134 1
1 597 . 4 1 1 A 49 49 LEU CB C 49 42.969 43.303 -0.334 1
1 601 . 4 1 1 A 49 49 LEU N N 49 122.636 121.584 1.052 1
1 602 . 4 1 1 A 50 50 ILE H H 50 7.257 7.515 -0.258 1
1 603 . 4 1 1 A 50 50 ILE HA H 50 4.689 4.767 -0.078 1
1 613 . 4 1 1 A 50 50 ILE C C 50 174.994 174.147 0.847 1
1 614 . 4 1 1 A 50 50 ILE CA C 50 58.262 58.839 -0.577 1
1 615 . 4 1 1 A 50 50 ILE CB C 50 41.641 41.444 0.197 1
1 619 . 4 1 1 A 50 50 ILE N N 50 107.650 114.551 -6.901 1
1 620 . 4 1 1 A 51 51 THR H H 51 8.677 8.414 0.263 1
1 621 . 4 1 1 A 51 51 THR HA H 51 4.466 4.788 -0.322 1
1 627 . 4 1 1 A 51 51 THR C C 51 175.227 174.806 0.421 1
1 628 . 4 1 1 A 51 51 THR CA C 51 60.728 59.523 1.205 1
1 629 . 4 1 1 A 51 51 THR CB C 51 71.216 70.728 0.488 1
1 631 . 4 1 1 A 51 51 THR N N 51 111.798 116.191 -4.393 1
1 632 . 4 1 1 A 52 52 GLU H H 52 9.034 9.026 0.008 1
1 633 . 4 1 1 A 52 52 GLU HA H 52 3.507 3.471 0.036 1
1 638 . 4 1 1 A 52 52 GLU C C 52 177.287 177.985 -0.698 1
1 639 . 4 1 1 A 52 52 GLU CA C 52 60.515 59.548 0.967 1
1 640 . 4 1 1 A 52 52 GLU CB C 52 29.418 29.122 0.296 1
1 642 . 4 1 1 A 52 52 GLU N N 52 122.067 126.027 -3.960 1
1 643 . 4 1 1 A 53 53 ARG H H 53 8.213 7.870 0.343 1
1 644 . 4 1 1 A 53 53 ARG HA H 53 3.740 3.999 -0.259 1
1 652 . 4 1 1 A 53 53 ARG C C 53 177.698 178.615 -0.917 1
1 653 . 4 1 1 A 53 53 ARG CA C 53 58.635 59.027 -0.392 1
1 654 . 4 1 1 A 53 53 ARG CB C 53 30.257 29.773 0.484 1
1 658 . 4 1 1 A 53 53 ARG N N 53 116.853 119.369 -2.516 1
1 660 . 4 1 1 A 54 54 GLU H H 54 7.747 7.704 0.043 1
1 661 . 4 1 1 A 54 54 GLU HA H 54 3.978 4.066 -0.088 1
1 666 . 4 1 1 A 54 54 GLU C C 54 178.915 178.374 0.541 1
1 667 . 4 1 1 A 54 54 GLU CA C 54 59.312 58.909 0.403 1
1 668 . 4 1 1 A 54 54 GLU CB C 54 29.678 29.053 0.625 1
1 670 . 4 1 1 A 54 54 GLU N N 54 118.040 119.294 -1.254 1
1 671 . 4 1 1 A 55 55 ALA H H 55 7.932 8.008 -0.076 1
1 672 . 4 1 1 A 55 55 ALA HA H 55 3.694 4.215 -0.521 1
1 676 . 4 1 1 A 55 55 ALA C C 55 178.383 180.311 -1.928 1
1 677 . 4 1 1 A 55 55 ALA CA C 55 55.871 55.184 0.687 1
1 678 . 4 1 1 A 55 55 ALA CB C 55 17.664 18.331 -0.667 1
1 679 . 4 1 1 A 55 55 ALA N N 55 122.121 122.506 -0.385 1
1 680 . 4 1 1 A 56 56 LEU H H 56 8.110 8.203 -0.093 1
1 681 . 4 1 1 A 56 56 LEU HA H 56 3.605 3.845 -0.240 1
1 691 . 4 1 1 A 56 56 LEU C C 56 180.273 179.246 1.027 1
1 692 . 4 1 1 A 56 56 LEU CA C 56 58.167 57.844 0.323 1
1 693 . 4 1 1 A 56 56 LEU CB C 56 39.563 40.921 -1.358 1
1 697 . 4 1 1 A 56 56 LEU N N 56 114.908 118.280 -3.372 1
1 698 . 4 1 1 A 57 57 ASP H H 57 8.080 8.426 -0.346 1
1 699 . 4 1 1 A 57 57 ASP HA H 57 4.353 4.263 0.090 1
1 702 . 4 1 1 A 57 57 ASP C C 57 179.121 178.616 0.505 1
1 703 . 4 1 1 A 57 57 ASP CA C 57 56.644 57.460 -0.816 1
1 704 . 4 1 1 A 57 57 ASP CB C 57 40.909 40.947 -0.038 1
1 705 . 4 1 1 A 57 57 ASP N N 57 117.019 119.647 -2.628 1
1 706 . 4 1 1 A 58 58 ARG H H 58 8.584 8.665 -0.081 1
1 707 . 4 1 1 A 58 58 ARG HA H 58 3.728 4.051 -0.323 1
1 715 . 4 1 1 A 58 58 ARG C C 58 177.362 176.535 0.827 1
1 716 . 4 1 1 A 58 58 ARG CA C 58 59.141 57.973 1.168 1
1 717 . 4 1 1 A 58 58 ARG CB C 58 30.462 29.274 1.188 1
1 720 . 4 1 1 A 58 58 ARG N N 58 119.926 118.164 1.762 1
1 722 . 4 1 1 A 59 59 TYR H H 59 7.133 7.407 -0.274 1
1 723 . 4 1 1 A 59 59 TYR HA H 59 5.018 4.732 0.286 1
1 730 . 4 1 1 A 59 59 TYR C C 59 173.865 175.087 -1.222 1
1 731 . 4 1 1 A 59 59 TYR CA C 59 57.348 57.826 -0.478 1
1 732 . 4 1 1 A 59 59 TYR CB C 59 38.052 39.230 -1.178 1
1 737 . 4 1 1 A 59 59 TYR N N 59 111.796 118.149 -6.353 1
1 738 . 4 1 1 A 60 60 SER H H 60 7.542 7.827 -0.285 1
1 739 . 4 1 1 A 60 60 SER HA H 60 4.082 4.097 -0.015 1
1 742 . 4 1 1 A 60 60 SER C C 60 176.402 173.085 3.317 1
1 743 . 4 1 1 A 60 60 SER CA C 60 58.482 59.187 -0.705 1
1 744 . 4 1 1 A 60 60 SER CB C 60 61.229 61.703 -0.474 1
1 745 . 4 1 1 A 60 60 SER N N 60 114.624 114.974 -0.350 1
1 746 . 4 1 1 A 61 61 LEU H H 61 8.228 8.089 0.139 1
1 747 . 4 1 1 A 61 61 LEU HA H 61 4.583 4.720 -0.137 1
1 757 . 4 1 1 A 61 61 LEU C C 61 176.463 176.139 0.324 1
1 758 . 4 1 1 A 61 61 LEU CA C 61 52.478 53.404 -0.926 1
1 759 . 4 1 1 A 61 61 LEU CB C 61 45.873 43.970 1.903 1
1 763 . 4 1 1 A 61 61 LEU N N 61 119.424 121.409 -1.985 1
1 764 . 4 1 1 A 62 62 SER H H 62 8.376 8.723 -0.347 1
1 765 . 4 1 1 A 62 62 SER HA H 62 4.555 4.657 -0.102 1
1 768 . 4 1 1 A 62 62 SER C C 62 175.088 174.835 0.253 1
1 769 . 4 1 1 A 62 62 SER CA C 62 56.123 56.886 -0.763 1
1 770 . 4 1 1 A 62 62 SER CB C 62 65.560 66.121 -0.561 1
1 771 . 4 1 1 A 62 62 SER N N 62 115.890 116.397 -0.507 1
1 772 . 4 1 1 A 63 63 GLU H H 63 9.204 9.013 0.191 1
1 773 . 4 1 1 A 63 63 GLU HA H 63 3.806 3.927 -0.121 1
1 778 . 4 1 1 A 63 63 GLU C C 63 179.412 178.368 1.044 1
1 779 . 4 1 1 A 63 63 GLU CA C 63 60.338 59.793 0.545 1
1 780 . 4 1 1 A 63 63 GLU CB C 63 29.354 28.985 0.369 1
1 782 . 4 1 1 A 63 63 GLU N N 63 122.263 123.863 -1.600 1
1 783 . 4 1 1 A 64 64 GLU H H 64 8.859 8.400 0.459 1
1 784 . 4 1 1 A 64 64 GLU HA H 64 3.969 4.061 -0.092 1
1 789 . 4 1 1 A 64 64 GLU C C 64 178.700 178.604 0.096 1
1 790 . 4 1 1 A 64 64 GLU CA C 64 59.822 59.271 0.551 1
1 791 . 4 1 1 A 64 64 GLU CB C 64 29.210 29.191 0.019 1
1 793 . 4 1 1 A 64 64 GLU N N 64 119.056 118.161 0.895 1
1 794 . 4 1 1 A 65 65 GLU H H 65 7.864 7.734 0.130 1
1 795 . 4 1 1 A 65 65 GLU HA H 65 3.960 3.989 -0.029 1
1 800 . 4 1 1 A 65 65 GLU C C 65 177.783 178.539 -0.756 1
1 801 . 4 1 1 A 65 65 GLU CA C 65 58.817 59.172 -0.355 1
1 802 . 4 1 1 A 65 65 GLU CB C 65 29.452 29.444 0.008 1
1 804 . 4 1 1 A 65 65 GLU N N 65 121.783 120.076 1.707 1
1 805 . 4 1 1 A 66 66 PHE H H 66 7.918 7.739 0.179 1
1 806 . 4 1 1 A 66 66 PHE HA H 66 3.294 3.618 -0.324 1
1 814 . 4 1 1 A 66 66 PHE C C 66 177.021 177.684 -0.663 1
1 815 . 4 1 1 A 66 66 PHE CA C 66 61.197 61.263 -0.066 1
1 816 . 4 1 1 A 66 66 PHE CB C 66 39.279 38.962 0.317 1
1 820 . 4 1 1 A 66 66 PHE N N 66 117.902 120.184 -2.282 1
1 821 . 4 1 1 A 67 67 ALA H H 67 8.011 8.284 -0.273 1
1 822 . 4 1 1 A 67 67 ALA HA H 67 3.839 4.058 -0.219 1
1 826 . 4 1 1 A 67 67 ALA C C 67 181.069 180.275 0.794 1
1 827 . 4 1 1 A 67 67 ALA CA C 67 55.296 55.148 0.148 1
1 828 . 4 1 1 A 67 67 ALA CB C 67 17.648 18.062 -0.414 1
1 829 . 4 1 1 A 67 67 ALA N N 67 119.951 121.230 -1.279 1
1 830 . 4 1 1 A 68 68 LEU H H 68 7.431 7.904 -0.473 1
1 831 . 4 1 1 A 68 68 LEU HA H 68 4.162 4.104 0.058 1
1 841 . 4 1 1 A 68 68 LEU C C 68 180.631 179.251 1.380 1
1 842 . 4 1 1 A 68 68 LEU CA C 68 57.621 57.641 -0.020 1
1 843 . 4 1 1 A 68 68 LEU CB C 68 41.083 42.150 -1.067 1
1 847 . 4 1 1 A 68 68 LEU N N 68 119.888 119.380 0.508 1
1 848 . 4 1 1 A 69 69 TRP H H 69 8.288 8.175 0.113 1
1 849 . 4 1 1 A 69 69 TRP HA H 69 4.341 4.224 0.117 1
1 858 . 4 1 1 A 69 69 TRP C C 69 179.178 179.402 -0.224 1
1 859 . 4 1 1 A 69 69 TRP CA C 69 59.228 59.950 -0.722 1
1 860 . 4 1 1 A 69 69 TRP CB C 69 28.387 28.817 -0.430 1
1 866 . 4 1 1 A 69 69 TRP N N 69 122.616 118.833 3.783 1
1 868 . 4 1 1 A 70 70 ARG H H 70 8.291 8.021 0.270 1
1 869 . 4 1 1 A 70 70 ARG HA H 70 3.743 4.057 -0.314 1
1 877 . 4 1 1 A 70 70 ARG C C 70 178.811 178.351 0.460 1
1 878 . 4 1 1 A 70 70 ARG CA C 70 59.614 58.468 1.146 1
1 879 . 4 1 1 A 70 70 ARG CB C 70 30.171 29.622 0.549 1
1 882 . 4 1 1 A 70 70 ARG N N 70 117.864 118.359 -0.495 1
1 884 . 4 1 1 A 71 71 SER H H 71 8.000 7.759 0.241 1
1 885 . 4 1 1 A 71 71 SER HA H 71 4.212 4.105 0.107 1
1 888 . 4 1 1 A 71 71 SER C C 71 176.074 176.612 -0.538 1
1 889 . 4 1 1 A 71 71 SER CA C 71 61.074 61.394 -0.320 1
1 890 . 4 1 1 A 71 71 SER CB C 71 62.891 63.181 -0.290 1
1 891 . 4 1 1 A 71 71 SER N N 71 114.582 115.842 -1.260 1
1 892 . 4 1 1 A 72 72 ALA H H 72 7.816 7.719 0.097 1
1 893 . 4 1 1 A 72 72 ALA HA H 72 4.230 4.277 -0.047 1
1 897 . 4 1 1 A 72 72 ALA C C 72 179.631 180.098 -0.467 1
1 898 . 4 1 1 A 72 72 ALA CA C 72 54.245 54.592 -0.347 1
1 899 . 4 1 1 A 72 72 ALA CB C 72 18.687 19.261 -0.574 1
1 900 . 4 1 1 A 72 72 ALA N N 72 124.141 122.254 1.887 1
1 901 . 4 1 1 A 73 73 VAL H H 73 7.728 8.198 -0.470 1
1 902 . 4 1 1 A 73 73 VAL HA H 73 3.850 3.700 0.150 1
1 910 . 4 1 1 A 73 73 VAL C C 73 177.286 178.099 -0.813 1
1 911 . 4 1 1 A 73 73 VAL CA C 73 64.163 66.022 -1.859 1
1 912 . 4 1 1 A 73 73 VAL CB C 73 32.466 31.852 0.614 1
1 915 . 4 1 1 A 73 73 VAL N N 73 117.289 118.193 -0.904 1
1 916 . 4 1 1 A 74 74 ALA H H 74 7.960 8.121 -0.161 1
1 917 . 4 1 1 A 74 74 ALA HA H 74 4.195 4.009 0.186 1
1 921 . 4 1 1 A 74 74 ALA C C 74 178.318 179.738 -1.420 1
1 922 . 4 1 1 A 74 74 ALA CA C 74 53.559 55.252 -1.693 1
1 923 . 4 1 1 A 74 74 ALA CB C 74 18.612 18.293 0.319 1
1 924 . 4 1 1 A 74 74 ALA N N 74 123.977 122.203 1.774 1
1 925 . 4 1 1 A 75 75 ALA H H 75 7.889 7.648 0.241 1
1 926 . 4 1 1 A 75 75 ALA HA H 75 4.214 4.312 -0.098 1
1 930 . 4 1 1 A 75 75 ALA C C 75 178.233 177.604 0.629 1
1 931 . 4 1 1 A 75 75 ALA CA C 75 53.242 52.462 0.780 1
1 932 . 4 1 1 A 75 75 ALA CB C 75 18.812 19.099 -0.287 1
1 933 . 4 1 1 A 75 75 ALA N N 75 120.956 118.763 2.193 1
1 934 . 4 1 1 A 76 76 HIS H H 76 8.057 7.854 0.203 1
1 935 . 4 1 1 A 76 76 HIS HA H 76 4.585 4.269 0.316 1
1 939 . 4 1 1 A 76 76 HIS C C 76 176.217 176.424 -0.207 1
1 940 . 4 1 1 A 76 76 HIS CA C 76 56.644 57.620 -0.976 1
1 941 . 4 1 1 A 76 76 HIS CB C 76 30.282 29.581 0.701 1
1 943 . 4 1 1 A 76 76 HIS N N 76 117.302 119.555 -2.253 1
1 944 . 4 1 1 A 77 77 GLY H H 77 8.229 8.787 -0.558 1
1 945 . 4 1 1 A 77 77 GLY HA2 H 77 3.951 3.810 0.141 1
1 946 . 4 1 1 A 77 77 GLY HA3 H 77 3.951 3.881 0.070 1
1 947 . 4 1 1 A 77 77 GLY C C 77 174.415 175.389 -0.974 1
1 948 . 4 1 1 A 77 77 GLY CA C 77 45.560 45.693 -0.133 1
1 949 . 4 1 1 A 77 77 GLY N N 77 109.118 115.591 -6.473 1
1 950 . 4 1 1 A 78 78 GLU H H 78 8.335 7.744 0.591 1
1 951 . 4 1 1 A 78 78 GLU HA H 78 4.210 4.175 0.035 1
1 956 . 4 1 1 A 78 78 GLU C C 78 177.052 177.624 -0.572 1
1 957 . 4 1 1 A 78 78 GLU CA C 78 56.836 58.600 -1.764 1
1 958 . 4 1 1 A 78 78 GLU CB C 78 30.136 28.498 1.638 1
1 960 . 4 1 1 A 78 78 GLU N N 78 120.947 120.606 0.341 1
1 961 . 4 1 1 A 79 79 LYS H H 79 8.299 7.680 0.619 1
1 962 . 4 1 1 A 79 79 LYS HA H 79 4.205 4.195 0.010 1
1 971 . 4 1 1 A 79 79 LYS C C 79 176.656 176.308 0.348 1
1 972 . 4 1 1 A 79 79 LYS CA C 79 57.057 57.467 -0.410 1
1 973 . 4 1 1 A 79 79 LYS CB C 79 32.811 32.937 -0.126 1
1 977 . 4 1 1 A 79 79 LYS N N 79 121.638 118.054 3.584 1
1 978 . 4 1 1 A 80 80 ALA H H 80 8.142 7.482 0.660 1
1 979 . 4 1 1 A 80 80 ALA HA H 80 4.245 4.661 -0.416 1
1 983 . 4 1 1 A 80 80 ALA C C 80 177.868 176.077 1.791 1
1 984 . 4 1 1 A 80 80 ALA CA C 80 52.706 50.503 2.203 1
1 985 . 4 1 1 A 80 80 ALA CB C 80 19.117 20.537 -1.420 1
1 986 . 4 1 1 A 80 80 ALA N N 80 123.770 121.493 2.277 1
1 987 . 4 1 1 A 81 81 LEU H H 81 8.040 8.958 -0.918 1
1 988 . 4 1 1 A 81 81 LEU HA H 81 4.245 4.759 -0.514 1
1 998 . 4 1 1 A 81 81 LEU C C 81 177.434 175.854 1.580 1
1 999 . 4 1 1 A 81 81 LEU CA C 81 55.673 54.639 1.034 1
1 1000 . 4 1 1 A 81 81 LEU CB C 81 42.160 40.621 1.539 1
1 1004 . 4 1 1 A 81 81 LEU N N 81 120.893 124.756 -3.863 1
1 1005 . 4 1 1 A 82 82 LYS H H 82 8.178 8.219 -0.041 1
1 1006 . 4 1 1 A 82 82 LYS HA H 82 4.283 4.477 -0.194 1
1 1015 . 4 1 1 A 82 82 LYS C C 82 176.810 177.674 -0.864 1
1 1016 . 4 1 1 A 82 82 LYS CA C 82 56.715 55.591 1.124 1
1 1017 . 4 1 1 A 82 82 LYS CB C 82 32.846 33.947 -1.101 1
1 1021 . 4 1 1 A 82 82 LYS N N 82 121.957 124.632 -2.675 1
1 1022 . 4 1 1 A 83 83 VAL H H 83 8.123 8.593 -0.470 1
1 1023 . 4 1 1 A 83 83 VAL HA H 83 4.093 3.888 0.205 1
1 1031 . 4 1 1 A 83 83 VAL C C 83 176.604 177.608 -1.004 1
1 1032 . 4 1 1 A 83 83 VAL CA C 83 62.964 65.483 -2.519 1
1 1033 . 4 1 1 A 83 83 VAL CB C 83 32.742 31.731 1.011 1
1 1036 . 4 1 1 A 83 83 VAL N N 83 121.150 126.053 -4.903 1
1 1037 . 4 1 1 A 84 84 THR H H 84 8.162 8.067 0.095 1
1 1038 . 4 1 1 A 84 84 THR HA H 84 4.276 4.007 0.269 1
1 1043 . 4 1 1 A 84 84 THR C C 84 174.773 177.256 -2.483 1
1 1044 . 4 1 1 A 84 84 THR CA C 84 62.558 65.931 -3.373 1
1 1045 . 4 1 1 A 84 84 THR CB C 84 69.726 68.545 1.181 1
1 1047 . 4 1 1 A 84 84 THR N N 84 117.587 116.591 0.996 1
1 1048 . 4 1 1 A 85 85 MET H H 85 8.353 8.448 -0.095 1
1 1049 . 4 1 1 A 85 85 MET HA H 85 4.448 4.232 0.216 1
1 1054 . 4 1 1 A 85 85 MET C C 85 176.518 178.375 -1.857 1
1 1055 . 4 1 1 A 85 85 MET CA C 85 56.074 57.499 -1.425 1
1 1056 . 4 1 1 A 85 85 MET CB C 85 32.837 31.120 1.717 1
1 1058 . 4 1 1 A 85 85 MET N N 85 122.707 119.123 3.584 1
1 1059 . 4 1 1 A 86 86 ILE H H 86 8.113 7.987 0.126 1
1 1060 . 4 1 1 A 86 86 ILE HA H 86 4.061 3.740 0.321 1
1 1070 . 4 1 1 A 86 86 ILE C C 86 176.712 177.951 -1.239 1
1 1071 . 4 1 1 A 86 86 ILE CA C 86 62.006 65.103 -3.097 1
1 1072 . 4 1 1 A 86 86 ILE CB C 86 38.402 37.145 1.257 1
1 1076 . 4 1 1 A 86 86 ILE N N 86 121.834 120.405 1.429 1
1 1077 . 4 1 1 A 87 87 GLN H H 87 8.328 8.251 0.077 1
1 1078 . 4 1 1 A 87 87 GLN HA H 87 4.190 3.946 0.244 1
1 1085 . 4 1 1 A 87 87 GLN C C 87 176.617 178.438 -1.821 1
1 1086 . 4 1 1 A 87 87 GLN CA C 87 56.798 59.175 -2.377 1
1 1087 . 4 1 1 A 87 87 GLN CB C 87 29.044 28.127 0.917 1
1 1089 . 4 1 1 A 87 87 GLN N N 87 123.529 121.435 2.094 1
1 1091 . 4 1 1 A 88 88 LYS H H 88 8.232 7.415 0.817 1
1 1092 . 4 1 1 A 88 88 LYS HA H 88 4.133 3.975 0.158 1
1 1101 . 4 1 1 A 88 88 LYS C C 88 176.983 178.681 -1.698 1
1 1102 . 4 1 1 A 88 88 LYS CA C 88 57.289 58.674 -1.385 1
1 1103 . 4 1 1 A 88 88 LYS CB C 88 32.806 31.863 0.943 1
1 1107 . 4 1 1 A 88 88 LYS N N 88 121.677 119.169 2.508 1
1 1108 . 4 1 1 A 89 89 TYR H H 89 8.086 7.116 0.970 1
1 1109 . 4 1 1 A 89 89 TYR HA H 89 4.492 4.381 0.111 1
1 1116 . 4 1 1 A 89 89 TYR C C 89 176.250 178.572 -2.322 1
1 1117 . 4 1 1 A 89 89 TYR CA C 89 58.546 60.907 -2.361 1
1 1118 . 4 1 1 A 89 89 TYR CB C 89 38.410 38.104 0.306 1
1 1123 . 4 1 1 A 89 89 TYR N N 89 119.993 118.977 1.016 1
1 1124 . 4 1 1 A 90 90 ARG H H 90 8.127 8.549 -0.422 1
1 1125 . 4 1 1 A 90 90 ARG HA H 90 4.119 4.140 -0.021 1
1 1132 . 4 1 1 A 90 90 ARG C C 90 176.628 177.484 -0.856 1
1 1133 . 4 1 1 A 90 90 ARG CA C 90 57.085 58.542 -1.457 1
1 1134 . 4 1 1 A 90 90 ARG CB C 90 30.568 29.948 0.620 1
1 1137 . 4 1 1 A 90 90 ARG N N 90 121.679 118.407 3.272 1
1 1138 . 4 1 1 A 91 91 GLN H H 91 8.232 7.700 0.532 1
1 1139 . 4 1 1 A 91 91 GLN HA H 91 4.179 4.492 -0.313 1
1 1146 . 4 1 1 A 91 91 GLN C C 91 176.491 176.211 0.280 1
1 1147 . 4 1 1 A 91 91 GLN CA C 91 56.800 56.373 0.427 1
1 1148 . 4 1 1 A 91 91 GLN CB C 91 29.129 28.829 0.300 1
1 1150 . 4 1 1 A 91 91 GLN N N 91 120.420 118.824 1.596 1
1 1152 . 4 1 1 A 92 92 LEU H H 92 8.118 7.406 0.712 1
1 1153 . 4 1 1 A 92 92 LEU HA H 92 4.269 4.188 0.081 1
1 1162 . 4 1 1 A 92 92 LEU C C 92 177.632 175.711 1.921 1
1 1163 . 4 1 1 A 92 92 LEU CA C 92 55.419 56.062 -0.643 1
1 1164 . 4 1 1 A 92 92 LEU CB C 92 42.238 41.846 0.392 1
1 1167 . 4 1 1 A 92 92 LEU N N 92 122.670 121.339 1.331 1
1 1168 . 4 1 1 A 93 93 HIS H H 93 8.049 8.982 -0.933 1
1 1169 . 4 1 1 A 93 93 HIS HA H 93 4.228 5.012 -0.784 1
1 1172 . 4 1 1 A 93 93 HIS C C 93 177.608 175.295 2.313 1
1 1173 . 4 1 1 A 93 93 HIS CA C 93 55.512 54.603 0.909 1
1 1174 . 4 1 1 A 93 93 HIS CB C 93 42.238 33.902 8.336 1
1 1175 . 4 1 1 A 93 93 HIS N N 93 121.742 123.434 -1.692 1
1 1176 . 4 1 1 A 94 94 HIS H H 94 8.153 8.970 -0.817 1
1 1177 . 4 1 1 A 94 94 HIS HA H 94 4.141 4.221 -0.080 1
1 1180 . 4 1 1 A 94 94 HIS CA C 94 56.804 59.825 -3.021 1
1 1181 . 4 1 1 A 94 94 HIS CB C 94 30.254 30.532 -0.278 1
1 1182 . 4 1 1 A 94 94 HIS N N 94 120.504 121.730 -1.226 1
1 1 . 5 1 1 A 2 2 TYR HA H 2 4.593 4.785 -0.192 1
1 8 . 5 1 1 A 2 2 TYR C C 2 174.805 175.147 -0.342 1
1 9 . 5 1 1 A 2 2 TYR CA C 2 57.884 59.142 -1.258 1
1 10 . 5 1 1 A 2 2 TYR CB C 2 38.790 39.889 -1.099 1
1 15 . 5 1 1 A 3 3 LEU H H 3 8.189 8.239 -0.050 1
1 16 . 5 1 1 A 3 3 LEU HA H 3 4.268 4.613 -0.345 1
1 25 . 5 1 1 A 3 3 LEU C C 3 176.110 177.443 -1.333 1
1 26 . 5 1 1 A 3 3 LEU CA C 3 54.574 53.706 0.868 1
1 27 . 5 1 1 A 3 3 LEU CB C 3 42.796 42.981 -0.185 1
1 30 . 5 1 1 A 3 3 LEU N N 3 126.201 120.596 5.605 1
1 31 . 5 1 1 A 4 4 LYS H H 4 8.132 8.579 -0.447 1
1 32 . 5 1 1 A 4 4 LYS HA H 4 4.336 4.296 0.040 1
1 35 . 5 1 1 A 4 4 LYS C C 4 175.828 176.325 -0.497 1
1 36 . 5 1 1 A 4 4 LYS CA C 4 56.186 56.687 -0.501 1
1 37 . 5 1 1 A 4 4 LYS CB C 4 33.084 32.693 0.391 1
1 38 . 5 1 1 A 4 4 LYS N N 4 123.332 119.437 3.895 1
1 39 . 5 1 1 A 5 5 ARG H H 5 8.537 7.619 0.918 1
1 40 . 5 1 1 A 5 5 ARG HA H 5 4.327 4.963 -0.636 1
1 47 . 5 1 1 A 5 5 ARG C C 5 176.158 174.448 1.710 1
1 48 . 5 1 1 A 5 5 ARG CA C 5 56.076 54.857 1.219 1
1 49 . 5 1 1 A 5 5 ARG CB C 5 31.028 33.837 -2.809 1
1 52 . 5 1 1 A 5 5 ARG N N 5 124.828 120.634 4.194 1
1 53 . 5 1 1 A 6 6 VAL H H 6 8.344 8.855 -0.511 1
1 54 . 5 1 1 A 6 6 VAL HA H 6 4.154 4.286 -0.132 1
1 62 . 5 1 1 A 6 6 VAL C C 6 175.662 174.562 1.100 1
1 63 . 5 1 1 A 6 6 VAL CA C 6 61.973 62.402 -0.429 1
1 64 . 5 1 1 A 6 6 VAL CB C 6 32.937 31.073 1.864 1
1 66 . 5 1 1 A 6 6 VAL N N 6 122.153 126.641 -4.488 1
1 67 . 5 1 1 A 7 7 ASP H H 7 8.469 9.025 -0.556 1
1 68 . 5 1 1 A 7 7 ASP HA H 7 4.681 4.881 -0.200 1
1 71 . 5 1 1 A 7 7 ASP C C 7 176.217 176.122 0.095 1
1 72 . 5 1 1 A 7 7 ASP CA C 7 54.202 53.574 0.628 1
1 73 . 5 1 1 A 7 7 ASP CB C 7 41.583 41.669 -0.086 1
1 74 . 5 1 1 A 7 7 ASP N N 7 124.555 128.635 -4.080 1
1 75 . 5 1 1 A 8 8 GLY H H 8 8.185 8.782 -0.597 1
1 76 . 5 1 1 A 8 8 GLY HA2 H 8 4.184 3.929 0.255 1
1 77 . 5 1 1 A 8 8 GLY HA3 H 8 4.070 3.930 0.140 1
1 78 . 5 1 1 A 8 8 GLY C C 8 171.436 173.450 -2.014 1
1 79 . 5 1 1 A 8 8 GLY CA C 8 44.634 45.534 -0.900 1
1 80 . 5 1 1 A 8 8 GLY N N 8 109.085 113.567 -4.482 1
1 81 . 5 1 1 A 9 9 PRO HA H 9 4.510 4.538 -0.028 1
1 88 . 5 1 1 A 9 9 PRO C C 9 176.784 177.232 -0.448 1
1 89 . 5 1 1 A 9 9 PRO CA C 9 62.869 62.907 -0.038 1
1 90 . 5 1 1 A 9 9 PRO CB C 9 32.364 31.760 0.604 1
1 93 . 5 1 1 A 10 10 ARG H H 10 8.761 8.995 -0.234 1
1 94 . 5 1 1 A 10 10 ARG HA H 10 4.165 4.344 -0.179 1
1 99 . 5 1 1 A 10 10 ARG C C 10 175.911 175.918 -0.007 1
1 100 . 5 1 1 A 10 10 ARG CA C 10 57.463 56.813 0.650 1
1 101 . 5 1 1 A 10 10 ARG CB C 10 31.030 31.279 -0.249 1
1 103 . 5 1 1 A 10 10 ARG N N 10 120.390 119.636 0.754 1
1 104 . 5 1 1 A 11 11 GLN H H 11 7.790 7.804 -0.014 1
1 105 . 5 1 1 A 11 11 GLN HA H 11 5.173 4.999 0.174 1
1 112 . 5 1 1 A 11 11 GLN C C 11 173.893 173.615 0.278 1
1 113 . 5 1 1 A 11 11 GLN CA C 11 54.402 54.675 -0.273 1
1 114 . 5 1 1 A 11 11 GLN CB C 11 31.366 32.088 -0.722 1
1 116 . 5 1 1 A 11 11 GLN N N 11 114.694 116.241 -1.547 1
1 118 . 5 1 1 A 12 12 VAL H H 12 8.803 9.139 -0.336 1
1 119 . 5 1 1 A 12 12 VAL HA H 12 4.625 4.942 -0.317 1
1 127 . 5 1 1 A 12 12 VAL C C 12 173.796 173.919 -0.123 1
1 128 . 5 1 1 A 12 12 VAL CA C 12 60.127 59.483 0.644 1
1 129 . 5 1 1 A 12 12 VAL CB C 12 35.590 35.624 -0.034 1
1 132 . 5 1 1 A 12 12 VAL N N 12 115.575 117.661 -2.086 1
1 133 . 5 1 1 A 13 13 THR H H 13 8.553 8.471 0.082 1
1 134 . 5 1 1 A 13 13 THR HA H 13 4.772 4.707 0.065 1
1 139 . 5 1 1 A 13 13 THR C C 13 174.526 174.286 0.240 1
1 140 . 5 1 1 A 13 13 THR CA C 13 61.880 62.025 -0.145 1
1 141 . 5 1 1 A 13 13 THR CB C 13 69.319 69.629 -0.310 1
1 143 . 5 1 1 A 13 13 THR N N 13 119.282 118.762 0.520 1
1 144 . 5 1 1 A 14 14 LEU H H 14 9.254 8.984 0.270 1
1 145 . 5 1 1 A 14 14 LEU HA H 14 4.210 4.411 -0.201 1
1 155 . 5 1 1 A 14 14 LEU C C 14 177.361 176.753 0.608 1
1 156 . 5 1 1 A 14 14 LEU CA C 14 54.116 52.850 1.266 1
1 157 . 5 1 1 A 14 14 LEU CB C 14 39.546 41.539 -1.993 1
1 161 . 5 1 1 A 14 14 LEU N N 14 129.147 127.642 1.505 1
1 162 . 5 1 1 A 15 15 PRO HA H 15 4.294 4.496 -0.202 1
1 169 . 5 1 1 A 15 15 PRO C C 15 176.570 177.542 -0.972 1
1 170 . 5 1 1 A 15 15 PRO CA C 15 65.392 64.433 0.959 1
1 171 . 5 1 1 A 15 15 PRO CB C 15 31.808 31.719 0.089 1
1 174 . 5 1 1 A 16 16 ASP H H 16 7.397 8.069 -0.672 1
1 175 . 5 1 1 A 16 16 ASP HA H 16 4.486 4.696 -0.210 1
1 178 . 5 1 1 A 16 16 ASP C C 16 177.056 176.524 0.532 1
1 179 . 5 1 1 A 16 16 ASP CA C 16 53.157 53.803 -0.646 1
1 180 . 5 1 1 A 16 16 ASP CB C 16 39.987 40.863 -0.876 1
1 181 . 5 1 1 A 16 16 ASP N N 16 113.036 114.370 -1.334 1
1 182 . 5 1 1 A 17 17 GLY H H 17 8.399 7.913 0.486 1
1 183 . 5 1 1 A 17 17 GLY HA2 H 17 4.293 3.923 0.370 1
1 184 . 5 1 1 A 17 17 GLY HA3 H 17 3.481 3.933 -0.452 1
1 185 . 5 1 1 A 17 17 GLY C C 17 174.700 174.404 0.296 1
1 186 . 5 1 1 A 17 17 GLY CA C 17 44.998 45.053 -0.055 1
1 187 . 5 1 1 A 17 17 GLY N N 17 108.859 106.909 1.950 1
1 188 . 5 1 1 A 18 18 THR H H 18 8.003 7.801 0.202 1
1 189 . 5 1 1 A 18 18 THR HA H 18 4.151 4.495 -0.344 1
1 194 . 5 1 1 A 18 18 THR C C 18 172.576 173.621 -1.045 1
1 195 . 5 1 1 A 18 18 THR CA C 18 63.144 61.782 1.362 1
1 196 . 5 1 1 A 18 18 THR CB C 18 69.888 70.029 -0.141 1
1 198 . 5 1 1 A 18 18 THR N N 18 116.015 117.038 -1.023 1
1 199 . 5 1 1 A 19 19 VAL H H 19 8.384 8.565 -0.181 1
1 200 . 5 1 1 A 19 19 VAL HA H 19 4.726 4.754 -0.028 1
1 208 . 5 1 1 A 19 19 VAL C C 19 175.823 173.913 1.910 1
1 209 . 5 1 1 A 19 19 VAL CA C 19 61.491 60.948 0.543 1
1 210 . 5 1 1 A 19 19 VAL CB C 19 33.757 33.789 -0.032 1
1 213 . 5 1 1 A 19 19 VAL N N 19 121.723 121.838 -0.115 1
1 214 . 5 1 1 A 20 20 LEU H H 20 8.948 9.372 -0.424 1
1 215 . 5 1 1 A 20 20 LEU HA H 20 4.784 5.171 -0.387 1
1 225 . 5 1 1 A 20 20 LEU C C 20 174.749 176.090 -1.341 1
1 226 . 5 1 1 A 20 20 LEU CA C 20 53.616 53.444 0.172 1
1 227 . 5 1 1 A 20 20 LEU CB C 20 45.062 44.536 0.526 1
1 231 . 5 1 1 A 20 20 LEU N N 20 129.673 130.677 -1.004 1
1 232 . 5 1 1 A 21 21 SER H H 21 9.246 9.171 0.075 1
1 233 . 5 1 1 A 21 21 SER HA H 21 5.207 5.138 0.069 1
1 236 . 5 1 1 A 21 21 SER C C 21 176.047 175.930 0.117 1
1 237 . 5 1 1 A 21 21 SER CA C 21 56.523 56.487 0.036 1
1 238 . 5 1 1 A 21 21 SER CB C 21 66.369 66.316 0.053 1
1 239 . 5 1 1 A 21 21 SER N N 21 120.387 118.707 1.680 1
1 240 . 5 1 1 A 22 22 ARG H H 22 8.847 8.931 -0.084 1
1 241 . 5 1 1 A 22 22 ARG HA H 22 3.868 4.265 -0.397 1
1 248 . 5 1 1 A 22 22 ARG C C 22 178.388 176.733 1.655 1
1 249 . 5 1 1 A 22 22 ARG CA C 22 60.207 58.581 1.626 1
1 250 . 5 1 1 A 22 22 ARG CB C 22 29.118 30.088 -0.970 1
1 253 . 5 1 1 A 22 22 ARG N N 22 122.878 120.806 2.072 1
1 254 . 5 1 1 A 23 23 ALA H H 23 8.243 7.758 0.485 1
1 255 . 5 1 1 A 23 23 ALA HA H 23 4.175 4.253 -0.078 1
1 259 . 5 1 1 A 23 23 ALA C C 23 177.763 177.895 -0.132 1
1 260 . 5 1 1 A 23 23 ALA CA C 23 54.000 52.475 1.525 1
1 261 . 5 1 1 A 23 23 ALA CB C 23 18.461 19.717 -1.256 1
1 262 . 5 1 1 A 23 23 ALA N N 23 121.050 121.552 -0.502 1
1 263 . 5 1 1 A 24 24 ASP H H 24 7.597 7.944 -0.347 1
1 264 . 5 1 1 A 24 24 ASP HA H 24 4.632 4.749 -0.117 1
1 267 . 5 1 1 A 24 24 ASP C C 24 176.608 176.612 -0.004 1
1 268 . 5 1 1 A 24 24 ASP CA C 24 54.726 54.738 -0.012 1
1 269 . 5 1 1 A 24 24 ASP CB C 24 42.026 41.519 0.507 1
1 270 . 5 1 1 A 24 24 ASP N N 24 115.095 117.352 -2.257 1
1 271 . 5 1 1 A 25 25 LEU H H 25 7.311 7.449 -0.138 1
1 272 . 5 1 1 A 25 25 LEU HA H 25 4.402 4.484 -0.082 1
1 282 . 5 1 1 A 25 25 LEU C C 25 174.724 174.865 -0.141 1
1 283 . 5 1 1 A 25 25 LEU CA C 25 53.307 53.801 -0.494 1
1 284 . 5 1 1 A 25 25 LEU CB C 25 40.047 42.260 -2.213 1
1 288 . 5 1 1 A 25 25 LEU N N 25 119.781 122.940 -3.159 1
1 289 . 5 1 1 A 26 26 PRO HA H 26 4.745 4.692 0.053 1
1 296 . 5 1 1 A 26 26 PRO CA C 26 61.496 61.803 -0.307 1
1 297 . 5 1 1 A 26 26 PRO CB C 26 30.700 31.686 -0.986 1
1 300 . 5 1 1 A 27 27 PRO HA H 27 4.598 4.631 -0.033 1
1 307 . 5 1 1 A 27 27 PRO C C 27 178.036 177.354 0.682 1
1 308 . 5 1 1 A 27 27 PRO CA C 27 62.923 62.715 0.208 1
1 309 . 5 1 1 A 27 27 PRO CB C 27 32.758 32.593 0.165 1
1 312 . 5 1 1 A 28 28 LEU H H 28 8.880 8.483 0.397 1
1 313 . 5 1 1 A 28 28 LEU HA H 28 4.177 4.274 -0.097 1
1 323 . 5 1 1 A 28 28 LEU C C 28 176.873 177.856 -0.983 1
1 324 . 5 1 1 A 28 28 LEU CA C 28 57.833 57.319 0.514 1
1 325 . 5 1 1 A 28 28 LEU CB C 28 41.291 41.564 -0.273 1
1 329 . 5 1 1 A 28 28 LEU N N 28 122.643 122.921 -0.278 1
1 330 . 5 1 1 A 29 29 ASP H H 29 8.203 7.725 0.478 1
1 331 . 5 1 1 A 29 29 ASP HA H 29 4.615 4.640 -0.025 1
1 334 . 5 1 1 A 29 29 ASP C C 29 176.158 176.508 -0.350 1
1 335 . 5 1 1 A 29 29 ASP CA C 29 53.098 54.632 -1.534 1
1 336 . 5 1 1 A 29 29 ASP CB C 29 39.311 41.034 -1.723 1
1 337 . 5 1 1 A 29 29 ASP N N 29 115.741 117.380 -1.639 1
1 338 . 5 1 1 A 30 30 THR H H 30 7.516 7.334 0.182 1
1 339 . 5 1 1 A 30 30 THR HA H 30 3.599 4.040 -0.441 1
1 344 . 5 1 1 A 30 30 THR C C 30 174.366 173.274 1.092 1
1 345 . 5 1 1 A 30 30 THR CA C 30 65.815 62.699 3.116 1
1 346 . 5 1 1 A 30 30 THR CB C 30 69.989 67.688 2.301 1
1 348 . 5 1 1 A 30 30 THR N N 30 116.808 114.677 2.131 1
1 349 . 5 1 1 A 31 31 ARG H H 31 8.482 8.493 -0.011 1
1 350 . 5 1 1 A 31 31 ARG HA H 31 4.583 4.641 -0.058 1
1 358 . 5 1 1 A 31 31 ARG CA C 31 55.399 54.539 0.860 1
1 359 . 5 1 1 A 31 31 ARG CB C 31 32.296 33.036 -0.740 1
1 362 . 5 1 1 A 31 31 ARG N N 31 124.991 125.233 -0.242 1
1 364 . 5 1 1 A 32 32 ARG HA H 32 4.523 4.305 0.218 1
1 372 . 5 1 1 A 32 32 ARG C C 32 175.341 175.451 -0.110 1
1 373 . 5 1 1 A 32 32 ARG CA C 32 54.759 57.845 -3.086 1
1 374 . 5 1 1 A 32 32 ARG CB C 32 30.348 30.348 0.000 1
1 378 . 5 1 1 A 33 33 TRP H H 33 8.923 8.303 0.620 1
1 379 . 5 1 1 A 33 33 TRP HA H 33 4.292 4.687 -0.395 1
1 388 . 5 1 1 A 33 33 TRP C C 33 176.208 175.407 0.801 1
1 389 . 5 1 1 A 33 33 TRP CA C 33 56.923 58.459 -1.536 1
1 390 . 5 1 1 A 33 33 TRP CB C 33 28.492 28.217 0.275 1
1 396 . 5 1 1 A 33 33 TRP N N 33 128.804 118.765 10.039 1
1 398 . 5 1 1 A 34 34 VAL H H 34 6.953 8.464 -1.511 1
1 399 . 5 1 1 A 34 34 VAL HA H 34 4.451 4.596 -0.145 1
1 407 . 5 1 1 A 34 34 VAL C C 34 177.217 176.299 0.918 1
1 408 . 5 1 1 A 34 34 VAL CA C 34 60.180 58.943 1.237 1
1 409 . 5 1 1 A 34 34 VAL CB C 34 32.686 35.346 -2.660 1
1 412 . 5 1 1 A 34 34 VAL N N 34 114.683 116.795 -2.112 1
1 413 . 5 1 1 A 35 35 ALA HA H 35 3.745 3.881 -0.136 1
1 417 . 5 1 1 A 35 35 ALA C C 35 180.114 179.907 0.207 1
1 418 . 5 1 1 A 35 35 ALA CA C 35 56.618 55.563 1.055 1
1 419 . 5 1 1 A 35 35 ALA CB C 35 18.334 18.095 0.239 1
1 420 . 5 1 1 A 36 36 SER H H 36 8.841 8.245 0.596 1
1 421 . 5 1 1 A 36 36 SER HA H 36 4.140 4.133 0.007 1
1 424 . 5 1 1 A 36 36 SER C C 36 177.291 177.075 0.216 1
1 425 . 5 1 1 A 36 36 SER CA C 36 61.250 61.837 -0.587 1
1 426 . 5 1 1 A 36 36 SER CB C 36 61.673 62.714 -1.041 1
1 427 . 5 1 1 A 36 36 SER N N 36 111.913 112.744 -0.831 1
1 428 . 5 1 1 A 37 37 ARG H H 37 7.183 7.975 -0.792 1
1 429 . 5 1 1 A 37 37 ARG HA H 37 4.349 4.173 0.176 1
1 436 . 5 1 1 A 37 37 ARG C C 37 177.816 178.782 -0.966 1
1 437 . 5 1 1 A 37 37 ARG CA C 37 58.944 59.205 -0.261 1
1 438 . 5 1 1 A 37 37 ARG CB C 37 31.009 30.035 0.974 1
1 441 . 5 1 1 A 37 37 ARG N N 37 123.504 121.454 2.050 1
1 442 . 5 1 1 A 38 38 LYS H H 38 7.514 7.965 -0.451 1
1 443 . 5 1 1 A 38 38 LYS HA H 38 3.592 3.532 0.060 1
1 452 . 5 1 1 A 38 38 LYS C C 38 178.935 179.181 -0.246 1
1 453 . 5 1 1 A 38 38 LYS CA C 38 59.846 59.054 0.792 1
1 454 . 5 1 1 A 38 38 LYS CB C 38 33.310 31.543 1.767 1
1 458 . 5 1 1 A 38 38 LYS N N 38 118.200 118.997 -0.797 1
1 459 . 5 1 1 A 39 39 ALA H H 39 8.131 8.163 -0.032 1
1 460 . 5 1 1 A 39 39 ALA HA H 39 3.865 4.089 -0.224 1
1 464 . 5 1 1 A 39 39 ALA C C 39 178.995 179.963 -0.968 1
1 465 . 5 1 1 A 39 39 ALA CA C 39 55.093 54.920 0.173 1
1 466 . 5 1 1 A 39 39 ALA CB C 39 18.124 18.010 0.114 1
1 467 . 5 1 1 A 39 39 ALA N N 39 117.547 122.179 -4.632 1
1 468 . 5 1 1 A 40 40 ALA H H 40 7.375 7.776 -0.401 1
1 469 . 5 1 1 A 40 40 ALA HA H 40 4.134 4.193 -0.059 1
1 473 . 5 1 1 A 40 40 ALA C C 40 179.512 179.727 -0.215 1
1 474 . 5 1 1 A 40 40 ALA CA C 40 55.506 55.151 0.355 1
1 475 . 5 1 1 A 40 40 ALA CB C 40 18.473 18.173 0.300 1
1 476 . 5 1 1 A 40 40 ALA N N 40 119.346 121.223 -1.877 1
1 477 . 5 1 1 A 41 41 VAL H H 41 7.382 8.155 -0.773 1
1 478 . 5 1 1 A 41 41 VAL HA H 41 3.642 3.743 -0.101 1
1 486 . 5 1 1 A 41 41 VAL C C 41 177.423 178.205 -0.782 1
1 487 . 5 1 1 A 41 41 VAL CA C 41 67.279 67.118 0.161 1
1 488 . 5 1 1 A 41 41 VAL CB C 41 32.149 31.672 0.477 1
1 491 . 5 1 1 A 41 41 VAL N N 41 116.434 118.685 -2.251 1
1 492 . 5 1 1 A 42 42 VAL H H 42 8.332 8.329 0.003 1
1 493 . 5 1 1 A 42 42 VAL HA H 42 3.723 3.957 -0.234 1
1 501 . 5 1 1 A 42 42 VAL C C 42 178.381 178.078 0.303 1
1 502 . 5 1 1 A 42 42 VAL CA C 42 67.698 65.423 2.275 1
1 503 . 5 1 1 A 42 42 VAL CB C 42 32.170 31.186 0.984 1
1 506 . 5 1 1 A 42 42 VAL N N 42 118.061 120.368 -2.307 1
1 507 . 5 1 1 A 43 43 LYS H H 43 8.973 8.081 0.892 1
1 508 . 5 1 1 A 43 43 LYS HA H 43 3.977 4.042 -0.065 1
1 517 . 5 1 1 A 43 43 LYS C C 43 177.830 179.230 -1.400 1
1 518 . 5 1 1 A 43 43 LYS CA C 43 60.343 59.496 0.847 1
1 519 . 5 1 1 A 43 43 LYS CB C 43 32.863 32.123 0.740 1
1 523 . 5 1 1 A 43 43 LYS N N 43 118.026 122.530 -4.504 1
1 524 . 5 1 1 A 44 44 ALA H H 44 7.959 8.078 -0.119 1
1 525 . 5 1 1 A 44 44 ALA HA H 44 3.968 4.053 -0.085 1
1 529 . 5 1 1 A 44 44 ALA C C 44 178.921 179.670 -0.749 1
1 530 . 5 1 1 A 44 44 ALA CA C 44 55.324 55.200 0.124 1
1 531 . 5 1 1 A 44 44 ALA CB C 44 19.816 18.512 1.304 1
1 532 . 5 1 1 A 44 44 ALA N N 44 119.893 122.665 -2.772 1
1 533 . 5 1 1 A 45 45 VAL H H 45 7.789 7.859 -0.070 1
1 534 . 5 1 1 A 45 45 VAL HA H 45 4.494 3.790 0.704 1
1 542 . 5 1 1 A 45 45 VAL C C 45 180.590 178.435 2.155 1
1 543 . 5 1 1 A 45 45 VAL CA C 45 64.383 66.868 -2.485 1
1 544 . 5 1 1 A 45 45 VAL CB C 45 32.456 31.482 0.974 1
1 547 . 5 1 1 A 45 45 VAL N N 45 118.569 117.511 1.058 1
1 548 . 5 1 1 A 46 46 ILE H H 46 8.945 8.128 0.817 1
1 549 . 5 1 1 A 46 46 ILE HA H 46 3.689 3.768 -0.079 1
1 559 . 5 1 1 A 46 46 ILE C C 46 178.437 177.708 0.729 1
1 560 . 5 1 1 A 46 46 ILE CA C 46 65.391 65.000 0.391 1
1 561 . 5 1 1 A 46 46 ILE CB C 46 38.182 37.694 0.488 1
1 565 . 5 1 1 A 46 46 ILE N N 46 121.331 119.592 1.739 1
1 566 . 5 1 1 A 47 47 HIS H H 47 8.030 7.437 0.593 1
1 567 . 5 1 1 A 47 47 HIS HA H 47 4.663 4.504 0.159 1
1 572 . 5 1 1 A 47 47 HIS C C 47 175.308 175.132 0.176 1
1 573 . 5 1 1 A 47 47 HIS CA C 47 56.736 55.810 0.926 1
1 574 . 5 1 1 A 47 47 HIS CB C 47 29.482 29.955 -0.473 1
1 577 . 5 1 1 A 47 47 HIS N N 47 113.700 116.858 -3.158 1
1 578 . 5 1 1 A 48 48 GLY H H 48 7.543 7.504 0.039 1
1 579 . 5 1 1 A 48 48 GLY HA2 H 48 4.026 3.513 0.513 1
1 580 . 5 1 1 A 48 48 GLY HA3 H 48 3.904 3.575 0.329 1
1 581 . 5 1 1 A 48 48 GLY C C 48 175.172 175.054 0.118 1
1 582 . 5 1 1 A 48 48 GLY CA C 48 46.740 45.744 0.996 1
1 583 . 5 1 1 A 48 48 GLY N N 48 106.113 107.320 -1.207 1
1 584 . 5 1 1 A 49 49 LEU H H 49 8.803 7.845 0.958 1
1 585 . 5 1 1 A 49 49 LEU HA H 49 4.090 4.072 0.018 1
1 595 . 5 1 1 A 49 49 LEU C C 49 176.111 176.302 -0.191 1
1 596 . 5 1 1 A 49 49 LEU CA C 49 57.575 57.328 0.247 1
1 597 . 5 1 1 A 49 49 LEU CB C 49 42.969 42.783 0.186 1
1 601 . 5 1 1 A 49 49 LEU N N 49 122.636 121.885 0.751 1
1 602 . 5 1 1 A 50 50 ILE H H 50 7.257 7.268 -0.011 1
1 603 . 5 1 1 A 50 50 ILE HA H 50 4.689 4.772 -0.083 1
1 613 . 5 1 1 A 50 50 ILE C C 50 174.994 174.221 0.773 1
1 614 . 5 1 1 A 50 50 ILE CA C 50 58.262 58.804 -0.542 1
1 615 . 5 1 1 A 50 50 ILE CB C 50 41.641 41.364 0.277 1
1 619 . 5 1 1 A 50 50 ILE N N 50 107.650 114.363 -6.713 1
1 620 . 5 1 1 A 51 51 THR H H 51 8.677 8.311 0.366 1
1 621 . 5 1 1 A 51 51 THR HA H 51 4.466 4.745 -0.279 1
1 627 . 5 1 1 A 51 51 THR C C 51 175.227 175.125 0.102 1
1 628 . 5 1 1 A 51 51 THR CA C 51 60.728 59.600 1.128 1
1 629 . 5 1 1 A 51 51 THR CB C 51 71.216 70.447 0.769 1
1 631 . 5 1 1 A 51 51 THR N N 51 111.798 116.355 -4.557 1
1 632 . 5 1 1 A 52 52 GLU H H 52 9.034 8.892 0.142 1
1 633 . 5 1 1 A 52 52 GLU HA H 52 3.507 3.457 0.050 1
1 638 . 5 1 1 A 52 52 GLU C C 52 177.287 177.564 -0.277 1
1 639 . 5 1 1 A 52 52 GLU CA C 52 60.515 59.526 0.989 1
1 640 . 5 1 1 A 52 52 GLU CB C 52 29.418 28.722 0.696 1
1 642 . 5 1 1 A 52 52 GLU N N 52 122.067 125.769 -3.702 1
1 643 . 5 1 1 A 53 53 ARG H H 53 8.213 7.559 0.654 1
1 644 . 5 1 1 A 53 53 ARG HA H 53 3.740 3.976 -0.236 1
1 652 . 5 1 1 A 53 53 ARG C C 53 177.698 178.307 -0.609 1
1 653 . 5 1 1 A 53 53 ARG CA C 53 58.635 59.073 -0.438 1
1 654 . 5 1 1 A 53 53 ARG CB C 53 30.257 29.955 0.302 1
1 658 . 5 1 1 A 53 53 ARG N N 53 116.853 119.995 -3.142 1
1 660 . 5 1 1 A 54 54 GLU H H 54 7.747 7.865 -0.118 1
1 661 . 5 1 1 A 54 54 GLU HA H 54 3.978 4.043 -0.065 1
1 666 . 5 1 1 A 54 54 GLU C C 54 178.915 178.326 0.589 1
1 667 . 5 1 1 A 54 54 GLU CA C 54 59.312 59.381 -0.069 1
1 668 . 5 1 1 A 54 54 GLU CB C 54 29.678 29.354 0.324 1
1 670 . 5 1 1 A 54 54 GLU N N 54 118.040 119.058 -1.018 1
1 671 . 5 1 1 A 55 55 ALA H H 55 7.932 7.898 0.034 1
1 672 . 5 1 1 A 55 55 ALA HA H 55 3.694 4.228 -0.534 1
1 676 . 5 1 1 A 55 55 ALA C C 55 178.383 180.514 -2.131 1
1 677 . 5 1 1 A 55 55 ALA CA C 55 55.871 55.079 0.792 1
1 678 . 5 1 1 A 55 55 ALA CB C 55 17.664 18.238 -0.574 1
1 679 . 5 1 1 A 55 55 ALA N N 55 122.121 122.448 -0.327 1
1 680 . 5 1 1 A 56 56 LEU H H 56 8.110 7.955 0.155 1
1 681 . 5 1 1 A 56 56 LEU HA H 56 3.605 3.936 -0.331 1
1 691 . 5 1 1 A 56 56 LEU C C 56 180.273 179.315 0.958 1
1 692 . 5 1 1 A 56 56 LEU CA C 56 58.167 57.725 0.442 1
1 693 . 5 1 1 A 56 56 LEU CB C 56 39.563 41.209 -1.646 1
1 697 . 5 1 1 A 56 56 LEU N N 56 114.908 119.260 -4.352 1
1 698 . 5 1 1 A 57 57 ASP H H 57 8.080 8.072 0.008 1
1 699 . 5 1 1 A 57 57 ASP HA H 57 4.353 4.316 0.037 1
1 702 . 5 1 1 A 57 57 ASP C C 57 179.121 178.529 0.592 1
1 703 . 5 1 1 A 57 57 ASP CA C 57 56.644 57.291 -0.647 1
1 704 . 5 1 1 A 57 57 ASP CB C 57 40.909 41.249 -0.340 1
1 705 . 5 1 1 A 57 57 ASP N N 57 117.019 119.680 -2.661 1
1 706 . 5 1 1 A 58 58 ARG H H 58 8.584 8.716 -0.132 1
1 707 . 5 1 1 A 58 58 ARG HA H 58 3.728 3.993 -0.265 1
1 715 . 5 1 1 A 58 58 ARG C C 58 177.362 176.873 0.489 1
1 716 . 5 1 1 A 58 58 ARG CA C 58 59.141 58.836 0.305 1
1 717 . 5 1 1 A 58 58 ARG CB C 58 30.462 29.973 0.489 1
1 720 . 5 1 1 A 58 58 ARG N N 58 119.926 118.135 1.791 1
1 722 . 5 1 1 A 59 59 TYR H H 59 7.133 7.504 -0.371 1
1 723 . 5 1 1 A 59 59 TYR HA H 59 5.018 4.782 0.236 1
1 730 . 5 1 1 A 59 59 TYR C C 59 173.865 175.144 -1.279 1
1 731 . 5 1 1 A 59 59 TYR CA C 59 57.348 57.783 -0.435 1
1 732 . 5 1 1 A 59 59 TYR CB C 59 38.052 39.258 -1.206 1
1 737 . 5 1 1 A 59 59 TYR N N 59 111.796 118.483 -6.687 1
1 738 . 5 1 1 A 60 60 SER H H 60 7.542 8.122 -0.580 1
1 739 . 5 1 1 A 60 60 SER HA H 60 4.082 4.211 -0.129 1
1 742 . 5 1 1 A 60 60 SER C C 60 176.402 173.202 3.200 1
1 743 . 5 1 1 A 60 60 SER CA C 60 58.482 59.142 -0.660 1
1 744 . 5 1 1 A 60 60 SER CB C 60 61.229 61.717 -0.488 1
1 745 . 5 1 1 A 60 60 SER N N 60 114.624 115.424 -0.800 1
1 746 . 5 1 1 A 61 61 LEU H H 61 8.228 8.060 0.168 1
1 747 . 5 1 1 A 61 61 LEU HA H 61 4.583 4.986 -0.403 1
1 757 . 5 1 1 A 61 61 LEU C C 61 176.463 175.371 1.092 1
1 758 . 5 1 1 A 61 61 LEU CA C 61 52.478 53.133 -0.655 1
1 759 . 5 1 1 A 61 61 LEU CB C 61 45.873 45.173 0.700 1
1 763 . 5 1 1 A 61 61 LEU N N 61 119.424 121.517 -2.093 1
1 764 . 5 1 1 A 62 62 SER H H 62 8.376 8.510 -0.134 1
1 765 . 5 1 1 A 62 62 SER HA H 62 4.555 4.820 -0.265 1
1 768 . 5 1 1 A 62 62 SER C C 62 175.088 174.309 0.779 1
1 769 . 5 1 1 A 62 62 SER CA C 62 56.123 57.618 -1.495 1
1 770 . 5 1 1 A 62 62 SER CB C 62 65.560 67.257 -1.697 1
1 771 . 5 1 1 A 62 62 SER N N 62 115.890 116.516 -0.626 1
1 772 . 5 1 1 A 63 63 GLU H H 63 9.204 8.781 0.423 1
1 773 . 5 1 1 A 63 63 GLU HA H 63 3.806 3.945 -0.139 1
1 778 . 5 1 1 A 63 63 GLU C C 63 179.412 177.879 1.533 1
1 779 . 5 1 1 A 63 63 GLU CA C 63 60.338 59.204 1.134 1
1 780 . 5 1 1 A 63 63 GLU CB C 63 29.354 29.700 -0.346 1
1 782 . 5 1 1 A 63 63 GLU N N 63 122.263 124.123 -1.860 1
1 783 . 5 1 1 A 64 64 GLU H H 64 8.859 8.498 0.361 1
1 784 . 5 1 1 A 64 64 GLU HA H 64 3.969 4.030 -0.061 1
1 789 . 5 1 1 A 64 64 GLU C C 64 178.700 178.887 -0.187 1
1 790 . 5 1 1 A 64 64 GLU CA C 64 59.822 59.526 0.296 1
1 791 . 5 1 1 A 64 64 GLU CB C 64 29.210 29.268 -0.058 1
1 793 . 5 1 1 A 64 64 GLU N N 64 119.056 117.316 1.740 1
1 794 . 5 1 1 A 65 65 GLU H H 65 7.864 7.970 -0.106 1
1 795 . 5 1 1 A 65 65 GLU HA H 65 3.960 4.023 -0.063 1
1 800 . 5 1 1 A 65 65 GLU C C 65 177.783 178.718 -0.935 1
1 801 . 5 1 1 A 65 65 GLU CA C 65 58.817 59.461 -0.644 1
1 802 . 5 1 1 A 65 65 GLU CB C 65 29.452 29.316 0.136 1
1 804 . 5 1 1 A 65 65 GLU N N 65 121.783 120.154 1.629 1
1 805 . 5 1 1 A 66 66 PHE H H 66 7.918 8.245 -0.327 1
1 806 . 5 1 1 A 66 66 PHE HA H 66 3.294 3.618 -0.324 1
1 814 . 5 1 1 A 66 66 PHE C C 66 177.021 177.791 -0.770 1
1 815 . 5 1 1 A 66 66 PHE CA C 66 61.197 61.330 -0.133 1
1 816 . 5 1 1 A 66 66 PHE CB C 66 39.279 38.899 0.380 1
1 820 . 5 1 1 A 66 66 PHE N N 66 117.902 120.988 -3.086 1
1 821 . 5 1 1 A 67 67 ALA H H 67 8.011 8.497 -0.486 1
1 822 . 5 1 1 A 67 67 ALA HA H 67 3.839 4.028 -0.189 1
1 826 . 5 1 1 A 67 67 ALA C C 67 181.069 179.923 1.146 1
1 827 . 5 1 1 A 67 67 ALA CA C 67 55.296 55.238 0.058 1
1 828 . 5 1 1 A 67 67 ALA CB C 67 17.648 18.138 -0.490 1
1 829 . 5 1 1 A 67 67 ALA N N 67 119.951 121.258 -1.307 1
1 830 . 5 1 1 A 68 68 LEU H H 68 7.431 7.803 -0.372 1
1 831 . 5 1 1 A 68 68 LEU HA H 68 4.162 4.006 0.156 1
1 841 . 5 1 1 A 68 68 LEU C C 68 180.631 179.516 1.115 1
1 842 . 5 1 1 A 68 68 LEU CA C 68 57.621 57.923 -0.302 1
1 843 . 5 1 1 A 68 68 LEU CB C 68 41.083 42.196 -1.113 1
1 847 . 5 1 1 A 68 68 LEU N N 68 119.888 118.551 1.337 1
1 848 . 5 1 1 A 69 69 TRP H H 69 8.288 8.186 0.102 1
1 849 . 5 1 1 A 69 69 TRP HA H 69 4.341 4.252 0.089 1
1 858 . 5 1 1 A 69 69 TRP C C 69 179.178 179.427 -0.249 1
1 859 . 5 1 1 A 69 69 TRP CA C 69 59.228 60.070 -0.842 1
1 860 . 5 1 1 A 69 69 TRP CB C 69 28.387 28.660 -0.273 1
1 866 . 5 1 1 A 69 69 TRP N N 69 122.616 118.761 3.855 1
1 868 . 5 1 1 A 70 70 ARG H H 70 8.291 8.087 0.204 1
1 869 . 5 1 1 A 70 70 ARG HA H 70 3.743 4.084 -0.341 1
1 877 . 5 1 1 A 70 70 ARG C C 70 178.811 177.678 1.133 1
1 878 . 5 1 1 A 70 70 ARG CA C 70 59.614 58.248 1.366 1
1 879 . 5 1 1 A 70 70 ARG CB C 70 30.171 29.412 0.759 1
1 882 . 5 1 1 A 70 70 ARG N N 70 117.864 118.251 -0.387 1
1 884 . 5 1 1 A 71 71 SER H H 71 8.000 7.738 0.262 1
1 885 . 5 1 1 A 71 71 SER HA H 71 4.212 4.385 -0.173 1
1 888 . 5 1 1 A 71 71 SER C C 71 176.074 175.090 0.984 1
1 889 . 5 1 1 A 71 71 SER CA C 71 61.074 61.056 0.018 1
1 890 . 5 1 1 A 71 71 SER CB C 71 62.891 63.463 -0.572 1
1 891 . 5 1 1 A 71 71 SER N N 71 114.582 116.936 -2.354 1
1 892 . 5 1 1 A 72 72 ALA H H 72 7.816 7.692 0.124 1
1 893 . 5 1 1 A 72 72 ALA HA H 72 4.230 4.172 0.058 1
1 897 . 5 1 1 A 72 72 ALA C C 72 179.631 178.035 1.596 1
1 898 . 5 1 1 A 72 72 ALA CA C 72 54.245 53.711 0.534 1
1 899 . 5 1 1 A 72 72 ALA CB C 72 18.687 18.802 -0.115 1
1 900 . 5 1 1 A 72 72 ALA N N 72 124.141 122.677 1.464 1
1 901 . 5 1 1 A 73 73 VAL H H 73 7.728 7.496 0.232 1
1 902 . 5 1 1 A 73 73 VAL HA H 73 3.850 4.112 -0.262 1
1 910 . 5 1 1 A 73 73 VAL C C 73 177.286 177.681 -0.395 1
1 911 . 5 1 1 A 73 73 VAL CA C 73 64.163 64.566 -0.403 1
1 912 . 5 1 1 A 73 73 VAL CB C 73 32.466 32.076 0.390 1
1 915 . 5 1 1 A 73 73 VAL N N 73 117.289 116.493 0.796 1
1 916 . 5 1 1 A 74 74 ALA H H 74 7.960 8.400 -0.440 1
1 917 . 5 1 1 A 74 74 ALA HA H 74 4.195 4.090 0.105 1
1 921 . 5 1 1 A 74 74 ALA C C 74 178.318 180.264 -1.946 1
1 922 . 5 1 1 A 74 74 ALA CA C 74 53.559 55.495 -1.936 1
1 923 . 5 1 1 A 74 74 ALA CB C 74 18.612 17.975 0.637 1
1 924 . 5 1 1 A 74 74 ALA N N 74 123.977 122.053 1.924 1
1 925 . 5 1 1 A 75 75 ALA H H 75 7.889 8.370 -0.481 1
1 926 . 5 1 1 A 75 75 ALA HA H 75 4.214 4.067 0.147 1
1 930 . 5 1 1 A 75 75 ALA C C 75 178.233 178.502 -0.269 1
1 931 . 5 1 1 A 75 75 ALA CA C 75 53.242 53.956 -0.714 1
1 932 . 5 1 1 A 75 75 ALA CB C 75 18.812 18.230 0.582 1
1 933 . 5 1 1 A 75 75 ALA N N 75 120.956 120.055 0.901 1
1 934 . 5 1 1 A 76 76 HIS H H 76 8.057 7.899 0.158 1
1 935 . 5 1 1 A 76 76 HIS HA H 76 4.585 4.634 -0.049 1
1 939 . 5 1 1 A 76 76 HIS C C 76 176.217 176.746 -0.529 1
1 940 . 5 1 1 A 76 76 HIS CA C 76 56.644 57.766 -1.122 1
1 941 . 5 1 1 A 76 76 HIS CB C 76 30.282 30.168 0.114 1
1 943 . 5 1 1 A 76 76 HIS N N 76 117.302 119.135 -1.833 1
1 944 . 5 1 1 A 77 77 GLY H H 77 8.229 8.239 -0.010 1
1 945 . 5 1 1 A 77 77 GLY HA2 H 77 3.951 3.802 0.149 1
1 946 . 5 1 1 A 77 77 GLY HA3 H 77 3.951 3.953 -0.002 1
1 947 . 5 1 1 A 77 77 GLY C C 77 174.415 175.982 -1.567 1
1 948 . 5 1 1 A 77 77 GLY CA C 77 45.560 45.634 -0.074 1
1 949 . 5 1 1 A 77 77 GLY N N 77 109.118 106.558 2.560 1
1 950 . 5 1 1 A 78 78 GLU H H 78 8.335 8.345 -0.010 1
1 951 . 5 1 1 A 78 78 GLU HA H 78 4.210 4.084 0.126 1
1 956 . 5 1 1 A 78 78 GLU C C 78 177.052 176.939 0.113 1
1 957 . 5 1 1 A 78 78 GLU CA C 78 56.836 58.943 -2.107 1
1 958 . 5 1 1 A 78 78 GLU CB C 78 30.136 28.805 1.331 1
1 960 . 5 1 1 A 78 78 GLU N N 78 120.947 118.303 2.644 1
1 961 . 5 1 1 A 79 79 LYS H H 79 8.299 7.805 0.494 1
1 962 . 5 1 1 A 79 79 LYS HA H 79 4.205 4.308 -0.103 1
1 971 . 5 1 1 A 79 79 LYS C C 79 176.656 176.660 -0.004 1
1 972 . 5 1 1 A 79 79 LYS CA C 79 57.057 56.891 0.166 1
1 973 . 5 1 1 A 79 79 LYS CB C 79 32.811 32.476 0.335 1
1 977 . 5 1 1 A 79 79 LYS N N 79 121.638 116.164 5.474 1
1 978 . 5 1 1 A 80 80 ALA H H 80 8.142 8.211 -0.069 1
1 979 . 5 1 1 A 80 80 ALA HA H 80 4.245 4.572 -0.327 1
1 983 . 5 1 1 A 80 80 ALA C C 80 177.868 176.563 1.305 1
1 984 . 5 1 1 A 80 80 ALA CA C 80 52.706 51.066 1.640 1
1 985 . 5 1 1 A 80 80 ALA CB C 80 19.117 19.397 -0.280 1
1 986 . 5 1 1 A 80 80 ALA N N 80 123.770 122.304 1.466 1
1 987 . 5 1 1 A 81 81 LEU H H 81 8.040 7.812 0.228 1
1 988 . 5 1 1 A 81 81 LEU HA H 81 4.245 4.661 -0.416 1
1 998 . 5 1 1 A 81 81 LEU C C 81 177.434 175.573 1.861 1
1 999 . 5 1 1 A 81 81 LEU CA C 81 55.673 54.532 1.141 1
1 1000 . 5 1 1 A 81 81 LEU CB C 81 42.160 40.245 1.915 1
1 1004 . 5 1 1 A 81 81 LEU N N 81 120.893 121.786 -0.893 1
1 1005 . 5 1 1 A 82 82 LYS H H 82 8.178 7.946 0.232 1
1 1006 . 5 1 1 A 82 82 LYS HA H 82 4.283 4.596 -0.313 1
1 1015 . 5 1 1 A 82 82 LYS C C 82 176.810 177.102 -0.292 1
1 1016 . 5 1 1 A 82 82 LYS CA C 82 56.715 54.962 1.753 1
1 1017 . 5 1 1 A 82 82 LYS CB C 82 32.846 34.685 -1.839 1
1 1021 . 5 1 1 A 82 82 LYS N N 82 121.957 124.727 -2.770 1
1 1022 . 5 1 1 A 83 83 VAL H H 83 8.123 8.628 -0.505 1
1 1023 . 5 1 1 A 83 83 VAL HA H 83 4.093 3.860 0.233 1
1 1031 . 5 1 1 A 83 83 VAL C C 83 176.604 177.611 -1.007 1
1 1032 . 5 1 1 A 83 83 VAL CA C 83 62.964 65.520 -2.556 1
1 1033 . 5 1 1 A 83 83 VAL CB C 83 32.742 31.682 1.060 1
1 1036 . 5 1 1 A 83 83 VAL N N 83 121.150 126.843 -5.693 1
1 1037 . 5 1 1 A 84 84 THR H H 84 8.162 8.203 -0.041 1
1 1038 . 5 1 1 A 84 84 THR HA H 84 4.276 3.829 0.447 1
1 1043 . 5 1 1 A 84 84 THR C C 84 174.773 176.433 -1.660 1
1 1044 . 5 1 1 A 84 84 THR CA C 84 62.558 66.721 -4.163 1
1 1045 . 5 1 1 A 84 84 THR CB C 84 69.726 68.687 1.039 1
1 1047 . 5 1 1 A 84 84 THR N N 84 117.587 117.300 0.287 1
1 1048 . 5 1 1 A 85 85 MET H H 85 8.353 8.087 0.266 1
1 1049 . 5 1 1 A 85 85 MET HA H 85 4.448 3.979 0.469 1
1 1054 . 5 1 1 A 85 85 MET C C 85 176.518 178.750 -2.232 1
1 1055 . 5 1 1 A 85 85 MET CA C 85 56.074 58.362 -2.288 1
1 1056 . 5 1 1 A 85 85 MET CB C 85 32.837 31.901 0.936 1
1 1058 . 5 1 1 A 85 85 MET N N 85 122.707 118.122 4.585 1
1 1059 . 5 1 1 A 86 86 ILE H H 86 8.113 8.342 -0.229 1
1 1060 . 5 1 1 A 86 86 ILE HA H 86 4.061 3.834 0.227 1
1 1070 . 5 1 1 A 86 86 ILE C C 86 176.712 178.157 -1.445 1
1 1071 . 5 1 1 A 86 86 ILE CA C 86 62.006 64.997 -2.991 1
1 1072 . 5 1 1 A 86 86 ILE CB C 86 38.402 36.821 1.581 1
1 1076 . 5 1 1 A 86 86 ILE N N 86 121.834 120.243 1.591 1
1 1077 . 5 1 1 A 87 87 GLN H H 87 8.328 7.836 0.492 1
1 1078 . 5 1 1 A 87 87 GLN HA H 87 4.190 4.005 0.185 1
1 1085 . 5 1 1 A 87 87 GLN C C 87 176.617 178.345 -1.728 1
1 1086 . 5 1 1 A 87 87 GLN CA C 87 56.798 59.045 -2.247 1
1 1087 . 5 1 1 A 87 87 GLN CB C 87 29.044 28.267 0.777 1
1 1089 . 5 1 1 A 87 87 GLN N N 87 123.529 121.045 2.484 1
1 1091 . 5 1 1 A 88 88 LYS H H 88 8.232 7.342 0.890 1
1 1092 . 5 1 1 A 88 88 LYS HA H 88 4.133 4.207 -0.074 1
1 1101 . 5 1 1 A 88 88 LYS C C 88 176.983 178.114 -1.131 1
1 1102 . 5 1 1 A 88 88 LYS CA C 88 57.289 58.291 -1.002 1
1 1103 . 5 1 1 A 88 88 LYS CB C 88 32.806 32.116 0.690 1
1 1107 . 5 1 1 A 88 88 LYS N N 88 121.677 118.978 2.699 1
1 1108 . 5 1 1 A 89 89 TYR H H 89 8.086 7.123 0.963 1
1 1109 . 5 1 1 A 89 89 TYR HA H 89 4.492 4.449 0.043 1
1 1116 . 5 1 1 A 89 89 TYR C C 89 176.250 178.435 -2.185 1
1 1117 . 5 1 1 A 89 89 TYR CA C 89 58.546 61.265 -2.719 1
1 1118 . 5 1 1 A 89 89 TYR CB C 89 38.410 37.913 0.497 1
1 1123 . 5 1 1 A 89 89 TYR N N 89 119.993 118.368 1.625 1
1 1124 . 5 1 1 A 90 90 ARG H H 90 8.127 8.096 0.031 1
1 1125 . 5 1 1 A 90 90 ARG HA H 90 4.119 4.343 -0.224 1
1 1132 . 5 1 1 A 90 90 ARG C C 90 176.628 177.895 -1.267 1
1 1133 . 5 1 1 A 90 90 ARG CA C 90 57.085 58.530 -1.445 1
1 1134 . 5 1 1 A 90 90 ARG CB C 90 30.568 30.090 0.478 1
1 1137 . 5 1 1 A 90 90 ARG N N 90 121.679 121.336 0.343 1
1 1138 . 5 1 1 A 91 91 GLN H H 91 8.232 8.126 0.106 1
1 1139 . 5 1 1 A 91 91 GLN HA H 91 4.179 4.434 -0.255 1
1 1146 . 5 1 1 A 91 91 GLN C C 91 176.491 175.602 0.889 1
1 1147 . 5 1 1 A 91 91 GLN CA C 91 56.800 56.638 0.162 1
1 1148 . 5 1 1 A 91 91 GLN CB C 91 29.129 28.210 0.919 1
1 1150 . 5 1 1 A 91 91 GLN N N 91 120.420 114.755 5.665 1
1 1152 . 5 1 1 A 92 92 LEU H H 92 8.118 7.624 0.494 1
1 1153 . 5 1 1 A 92 92 LEU HA H 92 4.269 4.853 -0.584 1
1 1162 . 5 1 1 A 92 92 LEU C C 92 177.632 176.021 1.611 1
1 1163 . 5 1 1 A 92 92 LEU CA C 92 55.419 54.645 0.774 1
1 1164 . 5 1 1 A 92 92 LEU CB C 92 42.238 43.311 -1.073 1
1 1167 . 5 1 1 A 92 92 LEU N N 92 122.670 122.037 0.633 1
1 1168 . 5 1 1 A 93 93 HIS H H 93 8.049 8.843 -0.794 1
1 1169 . 5 1 1 A 93 93 HIS HA H 93 4.228 4.847 -0.619 1
1 1172 . 5 1 1 A 93 93 HIS C C 93 177.608 175.254 2.354 1
1 1173 . 5 1 1 A 93 93 HIS CA C 93 55.512 57.396 -1.884 1
1 1174 . 5 1 1 A 93 93 HIS CB C 93 42.238 31.842 10.396 1
1 1175 . 5 1 1 A 93 93 HIS N N 93 121.742 124.704 -2.962 1
1 1176 . 5 1 1 A 94 94 HIS H H 94 8.153 7.723 0.430 1
1 1177 . 5 1 1 A 94 94 HIS HA H 94 4.141 4.742 -0.601 1
1 1180 . 5 1 1 A 94 94 HIS CA C 94 56.804 56.014 0.790 1
1 1181 . 5 1 1 A 94 94 HIS CB C 94 30.254 32.483 -2.229 1
1 1182 . 5 1 1 A 94 94 HIS N N 94 120.504 114.829 5.675 1
1 1 . 6 1 1 A 2 2 TYR HA H 2 4.593 4.428 0.165 1
1 8 . 6 1 1 A 2 2 TYR C C 2 174.805 175.237 -0.432 1
1 9 . 6 1 1 A 2 2 TYR CA C 2 57.884 60.033 -2.149 1
1 10 . 6 1 1 A 2 2 TYR CB C 2 38.790 38.364 0.426 1
1 15 . 6 1 1 A 3 3 LEU H H 3 8.189 8.395 -0.206 1
1 16 . 6 1 1 A 3 3 LEU HA H 3 4.268 4.028 0.240 1
1 25 . 6 1 1 A 3 3 LEU C C 3 176.110 177.008 -0.898 1
1 26 . 6 1 1 A 3 3 LEU CA C 3 54.574 57.207 -2.633 1
1 27 . 6 1 1 A 3 3 LEU CB C 3 42.796 40.688 2.108 1
1 30 . 6 1 1 A 3 3 LEU N N 3 126.201 120.452 5.749 1
1 31 . 6 1 1 A 4 4 LYS H H 4 8.132 8.065 0.067 1
1 32 . 6 1 1 A 4 4 LYS HA H 4 4.336 4.071 0.265 1
1 35 . 6 1 1 A 4 4 LYS C C 4 175.828 175.768 0.060 1
1 36 . 6 1 1 A 4 4 LYS CA C 4 56.186 58.109 -1.923 1
1 37 . 6 1 1 A 4 4 LYS CB C 4 33.084 33.575 -0.491 1
1 38 . 6 1 1 A 4 4 LYS N N 4 123.332 120.059 3.273 1
1 39 . 6 1 1 A 5 5 ARG H H 5 8.537 6.811 1.726 1
1 40 . 6 1 1 A 5 5 ARG HA H 5 4.327 3.183 1.144 1
1 47 . 6 1 1 A 5 5 ARG C C 5 176.158 173.866 2.292 1
1 48 . 6 1 1 A 5 5 ARG CA C 5 56.076 55.157 0.919 1
1 49 . 6 1 1 A 5 5 ARG CB C 5 31.028 33.671 -2.643 1
1 52 . 6 1 1 A 5 5 ARG N N 5 124.828 118.003 6.825 1
1 53 . 6 1 1 A 6 6 VAL H H 6 8.344 8.484 -0.140 1
1 54 . 6 1 1 A 6 6 VAL HA H 6 4.154 4.040 0.114 1
1 62 . 6 1 1 A 6 6 VAL C C 6 175.662 175.126 0.536 1
1 63 . 6 1 1 A 6 6 VAL CA C 6 61.973 62.766 -0.793 1
1 64 . 6 1 1 A 6 6 VAL CB C 6 32.937 32.403 0.534 1
1 66 . 6 1 1 A 6 6 VAL N N 6 122.153 126.712 -4.559 1
1 67 . 6 1 1 A 7 7 ASP H H 7 8.469 8.716 -0.247 1
1 68 . 6 1 1 A 7 7 ASP HA H 7 4.681 4.766 -0.085 1
1 71 . 6 1 1 A 7 7 ASP C C 7 176.217 176.211 0.006 1
1 72 . 6 1 1 A 7 7 ASP CA C 7 54.202 53.140 1.062 1
1 73 . 6 1 1 A 7 7 ASP CB C 7 41.583 39.726 1.857 1
1 74 . 6 1 1 A 7 7 ASP N N 7 124.555 127.421 -2.866 1
1 75 . 6 1 1 A 8 8 GLY H H 8 8.185 8.815 -0.630 1
1 76 . 6 1 1 A 8 8 GLY HA2 H 8 4.184 4.044 0.140 1
1 77 . 6 1 1 A 8 8 GLY HA3 H 8 4.070 4.053 0.017 1
1 78 . 6 1 1 A 8 8 GLY C C 8 171.436 173.552 -2.116 1
1 79 . 6 1 1 A 8 8 GLY CA C 8 44.634 44.607 0.027 1
1 80 . 6 1 1 A 8 8 GLY N N 8 109.085 115.270 -6.185 1
1 81 . 6 1 1 A 9 9 PRO HA H 9 4.510 4.711 -0.201 1
1 88 . 6 1 1 A 9 9 PRO C C 9 176.784 177.460 -0.676 1
1 89 . 6 1 1 A 9 9 PRO CA C 9 62.869 62.604 0.265 1
1 90 . 6 1 1 A 9 9 PRO CB C 9 32.364 32.021 0.343 1
1 93 . 6 1 1 A 10 10 ARG H H 10 8.761 8.713 0.048 1
1 94 . 6 1 1 A 10 10 ARG HA H 10 4.165 4.265 -0.100 1
1 99 . 6 1 1 A 10 10 ARG C C 10 175.911 175.982 -0.071 1
1 100 . 6 1 1 A 10 10 ARG CA C 10 57.463 58.790 -1.327 1
1 101 . 6 1 1 A 10 10 ARG CB C 10 31.030 31.247 -0.217 1
1 103 . 6 1 1 A 10 10 ARG N N 10 120.390 123.171 -2.781 1
1 104 . 6 1 1 A 11 11 GLN H H 11 7.790 7.690 0.100 1
1 105 . 6 1 1 A 11 11 GLN HA H 11 5.173 4.962 0.211 1
1 112 . 6 1 1 A 11 11 GLN C C 11 173.893 173.521 0.372 1
1 113 . 6 1 1 A 11 11 GLN CA C 11 54.402 54.832 -0.430 1
1 114 . 6 1 1 A 11 11 GLN CB C 11 31.366 32.090 -0.724 1
1 116 . 6 1 1 A 11 11 GLN N N 11 114.694 113.713 0.981 1
1 118 . 6 1 1 A 12 12 VAL H H 12 8.803 9.163 -0.360 1
1 119 . 6 1 1 A 12 12 VAL HA H 12 4.625 4.912 -0.287 1
1 127 . 6 1 1 A 12 12 VAL C C 12 173.796 174.251 -0.455 1
1 128 . 6 1 1 A 12 12 VAL CA C 12 60.127 59.599 0.528 1
1 129 . 6 1 1 A 12 12 VAL CB C 12 35.590 35.518 0.072 1
1 132 . 6 1 1 A 12 12 VAL N N 12 115.575 117.980 -2.405 1
1 133 . 6 1 1 A 13 13 THR H H 13 8.553 8.477 0.076 1
1 134 . 6 1 1 A 13 13 THR HA H 13 4.772 4.716 0.056 1
1 139 . 6 1 1 A 13 13 THR C C 13 174.526 174.263 0.263 1
1 140 . 6 1 1 A 13 13 THR CA C 13 61.880 62.145 -0.265 1
1 141 . 6 1 1 A 13 13 THR CB C 13 69.319 69.580 -0.261 1
1 143 . 6 1 1 A 13 13 THR N N 13 119.282 118.717 0.565 1
1 144 . 6 1 1 A 14 14 LEU H H 14 9.254 9.060 0.194 1
1 145 . 6 1 1 A 14 14 LEU HA H 14 4.210 4.373 -0.163 1
1 155 . 6 1 1 A 14 14 LEU C C 14 177.361 176.751 0.610 1
1 156 . 6 1 1 A 14 14 LEU CA C 14 54.116 52.732 1.384 1
1 157 . 6 1 1 A 14 14 LEU CB C 14 39.546 41.522 -1.976 1
1 161 . 6 1 1 A 14 14 LEU N N 14 129.147 127.692 1.455 1
1 162 . 6 1 1 A 15 15 PRO HA H 15 4.294 4.499 -0.205 1
1 169 . 6 1 1 A 15 15 PRO C C 15 176.570 177.532 -0.962 1
1 170 . 6 1 1 A 15 15 PRO CA C 15 65.392 64.537 0.855 1
1 171 . 6 1 1 A 15 15 PRO CB C 15 31.808 31.760 0.048 1
1 174 . 6 1 1 A 16 16 ASP H H 16 7.397 8.073 -0.676 1
1 175 . 6 1 1 A 16 16 ASP HA H 16 4.486 4.733 -0.247 1
1 178 . 6 1 1 A 16 16 ASP C C 16 177.056 176.712 0.344 1
1 179 . 6 1 1 A 16 16 ASP CA C 16 53.157 53.713 -0.556 1
1 180 . 6 1 1 A 16 16 ASP CB C 16 39.987 40.781 -0.794 1
1 181 . 6 1 1 A 16 16 ASP N N 16 113.036 114.144 -1.108 1
1 182 . 6 1 1 A 17 17 GLY H H 17 8.399 8.072 0.327 1
1 183 . 6 1 1 A 17 17 GLY HA2 H 17 4.293 3.942 0.351 1
1 184 . 6 1 1 A 17 17 GLY HA3 H 17 3.481 3.950 -0.469 1
1 185 . 6 1 1 A 17 17 GLY C C 17 174.700 174.424 0.276 1
1 186 . 6 1 1 A 17 17 GLY CA C 17 44.998 45.082 -0.084 1
1 187 . 6 1 1 A 17 17 GLY N N 17 108.859 107.090 1.769 1
1 188 . 6 1 1 A 18 18 THR H H 18 8.003 7.802 0.201 1
1 189 . 6 1 1 A 18 18 THR HA H 18 4.151 4.498 -0.347 1
1 194 . 6 1 1 A 18 18 THR C C 18 172.576 173.657 -1.081 1
1 195 . 6 1 1 A 18 18 THR CA C 18 63.144 61.786 1.358 1
1 196 . 6 1 1 A 18 18 THR CB C 18 69.888 69.960 -0.072 1
1 198 . 6 1 1 A 18 18 THR N N 18 116.015 116.765 -0.750 1
1 199 . 6 1 1 A 19 19 VAL H H 19 8.384 8.566 -0.182 1
1 200 . 6 1 1 A 19 19 VAL HA H 19 4.726 4.822 -0.096 1
1 208 . 6 1 1 A 19 19 VAL C C 19 175.823 173.966 1.857 1
1 209 . 6 1 1 A 19 19 VAL CA C 19 61.491 60.898 0.593 1
1 210 . 6 1 1 A 19 19 VAL CB C 19 33.757 33.756 0.001 1
1 213 . 6 1 1 A 19 19 VAL N N 19 121.723 121.933 -0.210 1
1 214 . 6 1 1 A 20 20 LEU H H 20 8.948 9.334 -0.386 1
1 215 . 6 1 1 A 20 20 LEU HA H 20 4.784 5.137 -0.353 1
1 225 . 6 1 1 A 20 20 LEU C C 20 174.749 176.215 -1.466 1
1 226 . 6 1 1 A 20 20 LEU CA C 20 53.616 53.467 0.149 1
1 227 . 6 1 1 A 20 20 LEU CB C 20 45.062 44.315 0.747 1
1 231 . 6 1 1 A 20 20 LEU N N 20 129.673 130.598 -0.925 1
1 232 . 6 1 1 A 21 21 SER H H 21 9.246 9.104 0.142 1
1 233 . 6 1 1 A 21 21 SER HA H 21 5.207 5.127 0.080 1
1 236 . 6 1 1 A 21 21 SER C C 21 176.047 176.222 -0.175 1
1 237 . 6 1 1 A 21 21 SER CA C 21 56.523 56.647 -0.124 1
1 238 . 6 1 1 A 21 21 SER CB C 21 66.369 66.224 0.145 1
1 239 . 6 1 1 A 21 21 SER N N 21 120.387 119.301 1.086 1
1 240 . 6 1 1 A 22 22 ARG H H 22 8.847 9.096 -0.249 1
1 241 . 6 1 1 A 22 22 ARG HA H 22 3.868 4.237 -0.369 1
1 248 . 6 1 1 A 22 22 ARG C C 22 178.388 176.889 1.499 1
1 249 . 6 1 1 A 22 22 ARG CA C 22 60.207 58.740 1.467 1
1 250 . 6 1 1 A 22 22 ARG CB C 22 29.118 29.859 -0.741 1
1 253 . 6 1 1 A 22 22 ARG N N 22 122.878 120.916 1.962 1
1 254 . 6 1 1 A 23 23 ALA H H 23 8.243 7.829 0.414 1
1 255 . 6 1 1 A 23 23 ALA HA H 23 4.175 4.299 -0.124 1
1 259 . 6 1 1 A 23 23 ALA C C 23 177.763 177.857 -0.094 1
1 260 . 6 1 1 A 23 23 ALA CA C 23 54.000 52.382 1.618 1
1 261 . 6 1 1 A 23 23 ALA CB C 23 18.461 19.739 -1.278 1
1 262 . 6 1 1 A 23 23 ALA N N 23 121.050 121.374 -0.324 1
1 263 . 6 1 1 A 24 24 ASP H H 24 7.597 7.855 -0.258 1
1 264 . 6 1 1 A 24 24 ASP HA H 24 4.632 4.713 -0.081 1
1 267 . 6 1 1 A 24 24 ASP C C 24 176.608 176.857 -0.249 1
1 268 . 6 1 1 A 24 24 ASP CA C 24 54.726 54.913 -0.187 1
1 269 . 6 1 1 A 24 24 ASP CB C 24 42.026 41.640 0.386 1
1 270 . 6 1 1 A 24 24 ASP N N 24 115.095 117.079 -1.984 1
1 271 . 6 1 1 A 25 25 LEU H H 25 7.311 7.388 -0.077 1
1 272 . 6 1 1 A 25 25 LEU HA H 25 4.402 4.472 -0.070 1
1 282 . 6 1 1 A 25 25 LEU C C 25 174.724 174.957 -0.233 1
1 283 . 6 1 1 A 25 25 LEU CA C 25 53.307 54.015 -0.708 1
1 284 . 6 1 1 A 25 25 LEU CB C 25 40.047 42.254 -2.207 1
1 288 . 6 1 1 A 25 25 LEU N N 25 119.781 123.117 -3.336 1
1 289 . 6 1 1 A 26 26 PRO HA H 26 4.745 4.661 0.084 1
1 296 . 6 1 1 A 26 26 PRO CA C 26 61.496 61.971 -0.475 1
1 297 . 6 1 1 A 26 26 PRO CB C 26 30.700 31.753 -1.053 1
1 300 . 6 1 1 A 27 27 PRO HA H 27 4.598 4.645 -0.047 1
1 307 . 6 1 1 A 27 27 PRO C C 27 178.036 177.224 0.812 1
1 308 . 6 1 1 A 27 27 PRO CA C 27 62.923 62.581 0.342 1
1 309 . 6 1 1 A 27 27 PRO CB C 27 32.758 32.539 0.219 1
1 312 . 6 1 1 A 28 28 LEU H H 28 8.880 8.481 0.399 1
1 313 . 6 1 1 A 28 28 LEU HA H 28 4.177 4.302 -0.125 1
1 323 . 6 1 1 A 28 28 LEU C C 28 176.873 178.754 -1.881 1
1 324 . 6 1 1 A 28 28 LEU CA C 28 57.833 57.304 0.529 1
1 325 . 6 1 1 A 28 28 LEU CB C 28 41.291 41.528 -0.237 1
1 329 . 6 1 1 A 28 28 LEU N N 28 122.643 122.902 -0.259 1
1 330 . 6 1 1 A 29 29 ASP H H 29 8.203 8.191 0.012 1
1 331 . 6 1 1 A 29 29 ASP HA H 29 4.615 4.443 0.172 1
1 334 . 6 1 1 A 29 29 ASP C C 29 176.158 177.258 -1.100 1
1 335 . 6 1 1 A 29 29 ASP CA C 29 53.098 56.422 -3.324 1
1 336 . 6 1 1 A 29 29 ASP CB C 29 39.311 40.412 -1.101 1
1 337 . 6 1 1 A 29 29 ASP N N 29 115.741 118.380 -2.639 1
1 338 . 6 1 1 A 30 30 THR H H 30 7.516 7.434 0.082 1
1 339 . 6 1 1 A 30 30 THR HA H 30 3.599 3.955 -0.356 1
1 344 . 6 1 1 A 30 30 THR C C 30 174.366 173.956 0.410 1
1 345 . 6 1 1 A 30 30 THR CA C 30 65.815 63.919 1.896 1
1 346 . 6 1 1 A 30 30 THR CB C 30 69.989 68.174 1.815 1
1 348 . 6 1 1 A 30 30 THR N N 30 116.808 114.278 2.530 1
1 349 . 6 1 1 A 31 31 ARG H H 31 8.482 8.827 -0.345 1
1 350 . 6 1 1 A 31 31 ARG HA H 31 4.583 4.476 0.107 1
1 358 . 6 1 1 A 31 31 ARG CA C 31 55.399 57.012 -1.613 1
1 359 . 6 1 1 A 31 31 ARG CB C 31 32.296 33.019 -0.723 1
1 362 . 6 1 1 A 31 31 ARG N N 31 124.991 127.987 -2.996 1
1 364 . 6 1 1 A 32 32 ARG HA H 32 4.523 4.376 0.147 1
1 372 . 6 1 1 A 32 32 ARG C C 32 175.341 174.654 0.687 1
1 373 . 6 1 1 A 32 32 ARG CA C 32 54.759 55.156 -0.397 1
1 374 . 6 1 1 A 32 32 ARG CB C 32 30.348 29.275 1.073 1
1 378 . 6 1 1 A 33 33 TRP H H 33 8.923 8.565 0.358 1
1 379 . 6 1 1 A 33 33 TRP HA H 33 4.292 4.666 -0.374 1
1 388 . 6 1 1 A 33 33 TRP C C 33 176.208 176.437 -0.229 1
1 389 . 6 1 1 A 33 33 TRP CA C 33 56.923 58.273 -1.350 1
1 390 . 6 1 1 A 33 33 TRP CB C 33 28.492 29.511 -1.019 1
1 396 . 6 1 1 A 33 33 TRP N N 33 128.804 127.344 1.460 1
1 398 . 6 1 1 A 34 34 VAL H H 34 6.953 8.622 -1.669 1
1 399 . 6 1 1 A 34 34 VAL HA H 34 4.451 4.616 -0.165 1
1 407 . 6 1 1 A 34 34 VAL C C 34 177.217 176.918 0.299 1
1 408 . 6 1 1 A 34 34 VAL CA C 34 60.180 60.332 -0.152 1
1 409 . 6 1 1 A 34 34 VAL CB C 34 32.686 34.604 -1.918 1
1 412 . 6 1 1 A 34 34 VAL N N 34 114.683 122.497 -7.814 1
1 413 . 6 1 1 A 35 35 ALA HA H 35 3.745 3.861 -0.116 1
1 417 . 6 1 1 A 35 35 ALA C C 35 180.114 179.712 0.402 1
1 418 . 6 1 1 A 35 35 ALA CA C 35 56.618 55.562 1.056 1
1 419 . 6 1 1 A 35 35 ALA CB C 35 18.334 18.036 0.298 1
1 420 . 6 1 1 A 36 36 SER H H 36 8.841 8.032 0.809 1
1 421 . 6 1 1 A 36 36 SER HA H 36 4.140 4.139 0.001 1
1 424 . 6 1 1 A 36 36 SER C C 36 177.291 176.340 0.951 1
1 425 . 6 1 1 A 36 36 SER CA C 36 61.250 61.006 0.244 1
1 426 . 6 1 1 A 36 36 SER CB C 36 61.673 62.914 -1.241 1
1 427 . 6 1 1 A 36 36 SER N N 36 111.913 113.132 -1.219 1
1 428 . 6 1 1 A 37 37 ARG H H 37 7.183 7.287 -0.104 1
1 429 . 6 1 1 A 37 37 ARG HA H 37 4.349 4.232 0.117 1
1 436 . 6 1 1 A 37 37 ARG C C 37 177.816 178.842 -1.026 1
1 437 . 6 1 1 A 37 37 ARG CA C 37 58.944 58.551 0.393 1
1 438 . 6 1 1 A 37 37 ARG CB C 37 31.009 29.930 1.079 1
1 441 . 6 1 1 A 37 37 ARG N N 37 123.504 121.547 1.957 1
1 442 . 6 1 1 A 38 38 LYS H H 38 7.514 8.145 -0.631 1
1 443 . 6 1 1 A 38 38 LYS HA H 38 3.592 3.329 0.263 1
1 452 . 6 1 1 A 38 38 LYS C C 38 178.935 179.223 -0.288 1
1 453 . 6 1 1 A 38 38 LYS CA C 38 59.846 58.925 0.921 1
1 454 . 6 1 1 A 38 38 LYS CB C 38 33.310 31.440 1.870 1
1 458 . 6 1 1 A 38 38 LYS N N 38 118.200 119.516 -1.316 1
1 459 . 6 1 1 A 39 39 ALA H H 39 8.131 8.283 -0.152 1
1 460 . 6 1 1 A 39 39 ALA HA H 39 3.865 4.059 -0.194 1
1 464 . 6 1 1 A 39 39 ALA C C 39 178.995 180.112 -1.117 1
1 465 . 6 1 1 A 39 39 ALA CA C 39 55.093 54.858 0.235 1
1 466 . 6 1 1 A 39 39 ALA CB C 39 18.124 18.208 -0.084 1
1 467 . 6 1 1 A 39 39 ALA N N 39 117.547 122.223 -4.676 1
1 468 . 6 1 1 A 40 40 ALA H H 40 7.375 7.716 -0.341 1
1 469 . 6 1 1 A 40 40 ALA HA H 40 4.134 4.155 -0.021 1
1 473 . 6 1 1 A 40 40 ALA C C 40 179.512 180.065 -0.553 1
1 474 . 6 1 1 A 40 40 ALA CA C 40 55.506 55.315 0.191 1
1 475 . 6 1 1 A 40 40 ALA CB C 40 18.473 18.087 0.386 1
1 476 . 6 1 1 A 40 40 ALA N N 40 119.346 120.781 -1.435 1
1 477 . 6 1 1 A 41 41 VAL H H 41 7.382 7.798 -0.416 1
1 478 . 6 1 1 A 41 41 VAL HA H 41 3.642 3.721 -0.079 1
1 486 . 6 1 1 A 41 41 VAL C C 41 177.423 178.196 -0.773 1
1 487 . 6 1 1 A 41 41 VAL CA C 41 67.279 67.044 0.235 1
1 488 . 6 1 1 A 41 41 VAL CB C 41 32.149 31.800 0.349 1
1 491 . 6 1 1 A 41 41 VAL N N 41 116.434 118.754 -2.320 1
1 492 . 6 1 1 A 42 42 VAL H H 42 8.332 8.297 0.035 1
1 493 . 6 1 1 A 42 42 VAL HA H 42 3.723 4.066 -0.343 1
1 501 . 6 1 1 A 42 42 VAL C C 42 178.381 177.947 0.434 1
1 502 . 6 1 1 A 42 42 VAL CA C 42 67.698 65.455 2.243 1
1 503 . 6 1 1 A 42 42 VAL CB C 42 32.170 31.163 1.007 1
1 506 . 6 1 1 A 42 42 VAL N N 42 118.061 120.549 -2.488 1
1 507 . 6 1 1 A 43 43 LYS H H 43 8.973 8.286 0.687 1
1 508 . 6 1 1 A 43 43 LYS HA H 43 3.977 4.053 -0.076 1
1 517 . 6 1 1 A 43 43 LYS C C 43 177.830 179.264 -1.434 1
1 518 . 6 1 1 A 43 43 LYS CA C 43 60.343 59.380 0.963 1
1 519 . 6 1 1 A 43 43 LYS CB C 43 32.863 32.258 0.605 1
1 523 . 6 1 1 A 43 43 LYS N N 43 118.026 122.638 -4.612 1
1 524 . 6 1 1 A 44 44 ALA H H 44 7.959 8.022 -0.063 1
1 525 . 6 1 1 A 44 44 ALA HA H 44 3.968 4.092 -0.124 1
1 529 . 6 1 1 A 44 44 ALA C C 44 178.921 179.780 -0.859 1
1 530 . 6 1 1 A 44 44 ALA CA C 44 55.324 55.292 0.032 1
1 531 . 6 1 1 A 44 44 ALA CB C 44 19.816 18.389 1.427 1
1 532 . 6 1 1 A 44 44 ALA N N 44 119.893 122.524 -2.631 1
1 533 . 6 1 1 A 45 45 VAL H H 45 7.789 7.894 -0.105 1
1 534 . 6 1 1 A 45 45 VAL HA H 45 4.494 3.885 0.609 1
1 542 . 6 1 1 A 45 45 VAL C C 45 180.590 178.461 2.129 1
1 543 . 6 1 1 A 45 45 VAL CA C 45 64.383 66.858 -2.475 1
1 544 . 6 1 1 A 45 45 VAL CB C 45 32.456 31.490 0.966 1
1 547 . 6 1 1 A 45 45 VAL N N 45 118.569 118.024 0.545 1
1 548 . 6 1 1 A 46 46 ILE H H 46 8.945 8.310 0.635 1
1 549 . 6 1 1 A 46 46 ILE HA H 46 3.689 3.672 0.017 1
1 559 . 6 1 1 A 46 46 ILE C C 46 178.437 177.978 0.459 1
1 560 . 6 1 1 A 46 46 ILE CA C 46 65.391 64.639 0.752 1
1 561 . 6 1 1 A 46 46 ILE CB C 46 38.182 37.461 0.721 1
1 565 . 6 1 1 A 46 46 ILE N N 46 121.331 119.520 1.811 1
1 566 . 6 1 1 A 47 47 HIS H H 47 8.030 7.580 0.450 1
1 567 . 6 1 1 A 47 47 HIS HA H 47 4.663 4.538 0.125 1
1 572 . 6 1 1 A 47 47 HIS C C 47 175.308 175.298 0.010 1
1 573 . 6 1 1 A 47 47 HIS CA C 47 56.736 56.075 0.661 1
1 574 . 6 1 1 A 47 47 HIS CB C 47 29.482 30.168 -0.686 1
1 577 . 6 1 1 A 47 47 HIS N N 47 113.700 117.210 -3.510 1
1 578 . 6 1 1 A 48 48 GLY H H 48 7.543 7.677 -0.134 1
1 579 . 6 1 1 A 48 48 GLY HA2 H 48 4.026 3.937 0.089 1
1 580 . 6 1 1 A 48 48 GLY HA3 H 48 3.904 3.950 -0.046 1
1 581 . 6 1 1 A 48 48 GLY C C 48 175.172 175.047 0.125 1
1 582 . 6 1 1 A 48 48 GLY CA C 48 46.740 45.167 1.573 1
1 583 . 6 1 1 A 48 48 GLY N N 48 106.113 107.451 -1.338 1
1 584 . 6 1 1 A 49 49 LEU H H 49 8.803 7.682 1.121 1
1 585 . 6 1 1 A 49 49 LEU HA H 49 4.090 3.927 0.163 1
1 595 . 6 1 1 A 49 49 LEU C C 49 176.111 176.247 -0.136 1
1 596 . 6 1 1 A 49 49 LEU CA C 49 57.575 57.770 -0.195 1
1 597 . 6 1 1 A 49 49 LEU CB C 49 42.969 42.391 0.578 1
1 601 . 6 1 1 A 49 49 LEU N N 49 122.636 121.855 0.781 1
1 602 . 6 1 1 A 50 50 ILE H H 50 7.257 7.354 -0.097 1
1 603 . 6 1 1 A 50 50 ILE HA H 50 4.689 4.781 -0.092 1
1 613 . 6 1 1 A 50 50 ILE C C 50 174.994 174.275 0.719 1
1 614 . 6 1 1 A 50 50 ILE CA C 50 58.262 58.938 -0.676 1
1 615 . 6 1 1 A 50 50 ILE CB C 50 41.641 41.772 -0.131 1
1 619 . 6 1 1 A 50 50 ILE N N 50 107.650 114.240 -6.590 1
1 620 . 6 1 1 A 51 51 THR H H 51 8.677 8.541 0.136 1
1 621 . 6 1 1 A 51 51 THR HA H 51 4.466 4.929 -0.463 1
1 627 . 6 1 1 A 51 51 THR C C 51 175.227 174.610 0.617 1
1 628 . 6 1 1 A 51 51 THR CA C 51 60.728 59.600 1.128 1
1 629 . 6 1 1 A 51 51 THR CB C 51 71.216 71.262 -0.046 1
1 631 . 6 1 1 A 51 51 THR N N 51 111.798 115.891 -4.093 1
1 632 . 6 1 1 A 52 52 GLU H H 52 9.034 8.981 0.053 1
1 633 . 6 1 1 A 52 52 GLU HA H 52 3.507 3.492 0.015 1
1 638 . 6 1 1 A 52 52 GLU C C 52 177.287 178.109 -0.822 1
1 639 . 6 1 1 A 52 52 GLU CA C 52 60.515 59.897 0.618 1
1 640 . 6 1 1 A 52 52 GLU CB C 52 29.418 29.058 0.360 1
1 642 . 6 1 1 A 52 52 GLU N N 52 122.067 126.264 -4.197 1
1 643 . 6 1 1 A 53 53 ARG H H 53 8.213 8.115 0.098 1
1 644 . 6 1 1 A 53 53 ARG HA H 53 3.740 3.986 -0.246 1
1 652 . 6 1 1 A 53 53 ARG C C 53 177.698 178.454 -0.756 1
1 653 . 6 1 1 A 53 53 ARG CA C 53 58.635 59.338 -0.703 1
1 654 . 6 1 1 A 53 53 ARG CB C 53 30.257 29.829 0.428 1
1 658 . 6 1 1 A 53 53 ARG N N 53 116.853 119.583 -2.730 1
1 660 . 6 1 1 A 54 54 GLU H H 54 7.747 7.897 -0.150 1
1 661 . 6 1 1 A 54 54 GLU HA H 54 3.978 4.088 -0.110 1
1 666 . 6 1 1 A 54 54 GLU C C 54 178.915 178.323 0.592 1
1 667 . 6 1 1 A 54 54 GLU CA C 54 59.312 59.241 0.071 1
1 668 . 6 1 1 A 54 54 GLU CB C 54 29.678 29.469 0.209 1
1 670 . 6 1 1 A 54 54 GLU N N 54 118.040 119.118 -1.078 1
1 671 . 6 1 1 A 55 55 ALA H H 55 7.932 7.904 0.028 1
1 672 . 6 1 1 A 55 55 ALA HA H 55 3.694 4.086 -0.392 1
1 676 . 6 1 1 A 55 55 ALA C C 55 178.383 180.085 -1.702 1
1 677 . 6 1 1 A 55 55 ALA CA C 55 55.871 55.177 0.694 1
1 678 . 6 1 1 A 55 55 ALA CB C 55 17.664 18.493 -0.829 1
1 679 . 6 1 1 A 55 55 ALA N N 55 122.121 122.181 -0.060 1
1 680 . 6 1 1 A 56 56 LEU H H 56 8.110 8.392 -0.282 1
1 681 . 6 1 1 A 56 56 LEU HA H 56 3.605 3.788 -0.183 1
1 691 . 6 1 1 A 56 56 LEU C C 56 180.273 179.430 0.843 1
1 692 . 6 1 1 A 56 56 LEU CA C 56 58.167 57.825 0.342 1
1 693 . 6 1 1 A 56 56 LEU CB C 56 39.563 41.035 -1.472 1
1 697 . 6 1 1 A 56 56 LEU N N 56 114.908 118.163 -3.255 1
1 698 . 6 1 1 A 57 57 ASP H H 57 8.080 8.117 -0.037 1
1 699 . 6 1 1 A 57 57 ASP HA H 57 4.353 4.259 0.094 1
1 702 . 6 1 1 A 57 57 ASP C C 57 179.121 178.316 0.805 1
1 703 . 6 1 1 A 57 57 ASP CA C 57 56.644 57.461 -0.817 1
1 704 . 6 1 1 A 57 57 ASP CB C 57 40.909 41.135 -0.226 1
1 705 . 6 1 1 A 57 57 ASP N N 57 117.019 119.595 -2.576 1
1 706 . 6 1 1 A 58 58 ARG H H 58 8.584 8.181 0.403 1
1 707 . 6 1 1 A 58 58 ARG HA H 58 3.728 3.995 -0.267 1
1 715 . 6 1 1 A 58 58 ARG C C 58 177.362 177.016 0.346 1
1 716 . 6 1 1 A 58 58 ARG CA C 58 59.141 58.830 0.311 1
1 717 . 6 1 1 A 58 58 ARG CB C 58 30.462 29.906 0.556 1
1 720 . 6 1 1 A 58 58 ARG N N 58 119.926 118.165 1.761 1
1 722 . 6 1 1 A 59 59 TYR H H 59 7.133 7.639 -0.506 1
1 723 . 6 1 1 A 59 59 TYR HA H 59 5.018 4.776 0.242 1
1 730 . 6 1 1 A 59 59 TYR C C 59 173.865 174.973 -1.108 1
1 731 . 6 1 1 A 59 59 TYR CA C 59 57.348 57.674 -0.326 1
1 732 . 6 1 1 A 59 59 TYR CB C 59 38.052 39.065 -1.013 1
1 737 . 6 1 1 A 59 59 TYR N N 59 111.796 118.813 -7.017 1
1 738 . 6 1 1 A 60 60 SER H H 60 7.542 7.665 -0.123 1
1 739 . 6 1 1 A 60 60 SER HA H 60 4.082 4.148 -0.066 1
1 742 . 6 1 1 A 60 60 SER C C 60 176.402 173.681 2.721 1
1 743 . 6 1 1 A 60 60 SER CA C 60 58.482 59.217 -0.735 1
1 744 . 6 1 1 A 60 60 SER CB C 60 61.229 60.999 0.230 1
1 745 . 6 1 1 A 60 60 SER N N 60 114.624 112.120 2.504 1
1 746 . 6 1 1 A 61 61 LEU H H 61 8.228 7.981 0.247 1
1 747 . 6 1 1 A 61 61 LEU HA H 61 4.583 4.577 0.006 1
1 757 . 6 1 1 A 61 61 LEU C C 61 176.463 176.422 0.041 1
1 758 . 6 1 1 A 61 61 LEU CA C 61 52.478 53.822 -1.344 1
1 759 . 6 1 1 A 61 61 LEU CB C 61 45.873 42.784 3.089 1
1 763 . 6 1 1 A 61 61 LEU N N 61 119.424 121.553 -2.129 1
1 764 . 6 1 1 A 62 62 SER H H 62 8.376 8.882 -0.506 1
1 765 . 6 1 1 A 62 62 SER HA H 62 4.555 4.687 -0.132 1
1 768 . 6 1 1 A 62 62 SER C C 62 175.088 175.414 -0.326 1
1 769 . 6 1 1 A 62 62 SER CA C 62 56.123 57.363 -1.240 1
1 770 . 6 1 1 A 62 62 SER CB C 62 65.560 65.299 0.261 1
1 771 . 6 1 1 A 62 62 SER N N 62 115.890 117.228 -1.338 1
1 772 . 6 1 1 A 63 63 GLU H H 63 9.204 9.143 0.061 1
1 773 . 6 1 1 A 63 63 GLU HA H 63 3.806 3.947 -0.141 1
1 778 . 6 1 1 A 63 63 GLU C C 63 179.412 178.326 1.086 1
1 779 . 6 1 1 A 63 63 GLU CA C 63 60.338 59.679 0.659 1
1 780 . 6 1 1 A 63 63 GLU CB C 63 29.354 29.329 0.025 1
1 782 . 6 1 1 A 63 63 GLU N N 63 122.263 124.028 -1.765 1
1 783 . 6 1 1 A 64 64 GLU H H 64 8.859 8.330 0.529 1
1 784 . 6 1 1 A 64 64 GLU HA H 64 3.969 4.072 -0.103 1
1 789 . 6 1 1 A 64 64 GLU C C 64 178.700 179.033 -0.333 1
1 790 . 6 1 1 A 64 64 GLU CA C 64 59.822 58.951 0.871 1
1 791 . 6 1 1 A 64 64 GLU CB C 64 29.210 28.414 0.796 1
1 793 . 6 1 1 A 64 64 GLU N N 64 119.056 117.848 1.208 1
1 794 . 6 1 1 A 65 65 GLU H H 65 7.864 7.767 0.097 1
1 795 . 6 1 1 A 65 65 GLU HA H 65 3.960 4.030 -0.070 1
1 800 . 6 1 1 A 65 65 GLU C C 65 177.783 178.851 -1.068 1
1 801 . 6 1 1 A 65 65 GLU CA C 65 58.817 59.406 -0.589 1
1 802 . 6 1 1 A 65 65 GLU CB C 65 29.452 29.269 0.183 1
1 804 . 6 1 1 A 65 65 GLU N N 65 121.783 120.631 1.152 1
1 805 . 6 1 1 A 66 66 PHE H H 66 7.918 7.858 0.060 1
1 806 . 6 1 1 A 66 66 PHE HA H 66 3.294 3.443 -0.149 1
1 814 . 6 1 1 A 66 66 PHE C C 66 177.021 177.665 -0.644 1
1 815 . 6 1 1 A 66 66 PHE CA C 66 61.197 61.130 0.067 1
1 816 . 6 1 1 A 66 66 PHE CB C 66 39.279 39.089 0.190 1
1 820 . 6 1 1 A 66 66 PHE N N 66 117.902 120.681 -2.779 1
1 821 . 6 1 1 A 67 67 ALA H H 67 8.011 8.047 -0.036 1
1 822 . 6 1 1 A 67 67 ALA HA H 67 3.839 3.990 -0.151 1
1 826 . 6 1 1 A 67 67 ALA C C 67 181.069 179.810 1.259 1
1 827 . 6 1 1 A 67 67 ALA CA C 67 55.296 55.221 0.075 1
1 828 . 6 1 1 A 67 67 ALA CB C 67 17.648 18.141 -0.493 1
1 829 . 6 1 1 A 67 67 ALA N N 67 119.951 121.226 -1.275 1
1 830 . 6 1 1 A 68 68 LEU H H 68 7.431 7.916 -0.485 1
1 831 . 6 1 1 A 68 68 LEU HA H 68 4.162 4.027 0.135 1
1 841 . 6 1 1 A 68 68 LEU C C 68 180.631 179.490 1.141 1
1 842 . 6 1 1 A 68 68 LEU CA C 68 57.621 57.939 -0.318 1
1 843 . 6 1 1 A 68 68 LEU CB C 68 41.083 42.222 -1.139 1
1 847 . 6 1 1 A 68 68 LEU N N 68 119.888 118.807 1.081 1
1 848 . 6 1 1 A 69 69 TRP H H 69 8.288 8.140 0.148 1
1 849 . 6 1 1 A 69 69 TRP HA H 69 4.341 4.181 0.160 1
1 858 . 6 1 1 A 69 69 TRP C C 69 179.178 179.171 0.007 1
1 859 . 6 1 1 A 69 69 TRP CA C 69 59.228 60.306 -1.078 1
1 860 . 6 1 1 A 69 69 TRP CB C 69 28.387 28.704 -0.317 1
1 866 . 6 1 1 A 69 69 TRP N N 69 122.616 118.885 3.731 1
1 868 . 6 1 1 A 70 70 ARG H H 70 8.291 8.053 0.238 1
1 869 . 6 1 1 A 70 70 ARG HA H 70 3.743 3.968 -0.225 1
1 877 . 6 1 1 A 70 70 ARG C C 70 178.811 178.250 0.561 1
1 878 . 6 1 1 A 70 70 ARG CA C 70 59.614 58.669 0.945 1
1 879 . 6 1 1 A 70 70 ARG CB C 70 30.171 29.661 0.510 1
1 882 . 6 1 1 A 70 70 ARG N N 70 117.864 118.166 -0.302 1
1 884 . 6 1 1 A 71 71 SER H H 71 8.000 7.748 0.252 1
1 885 . 6 1 1 A 71 71 SER HA H 71 4.212 4.191 0.021 1
1 888 . 6 1 1 A 71 71 SER C C 71 176.074 176.900 -0.826 1
1 889 . 6 1 1 A 71 71 SER CA C 71 61.074 61.298 -0.224 1
1 890 . 6 1 1 A 71 71 SER CB C 71 62.891 63.118 -0.227 1
1 891 . 6 1 1 A 71 71 SER N N 71 114.582 115.376 -0.794 1
1 892 . 6 1 1 A 72 72 ALA H H 72 7.816 7.775 0.041 1
1 893 . 6 1 1 A 72 72 ALA HA H 72 4.230 4.319 -0.089 1
1 897 . 6 1 1 A 72 72 ALA C C 72 179.631 179.841 -0.210 1
1 898 . 6 1 1 A 72 72 ALA CA C 72 54.245 54.394 -0.149 1
1 899 . 6 1 1 A 72 72 ALA CB C 72 18.687 19.026 -0.339 1
1 900 . 6 1 1 A 72 72 ALA N N 72 124.141 122.078 2.063 1
1 901 . 6 1 1 A 73 73 VAL H H 73 7.728 7.959 -0.231 1
1 902 . 6 1 1 A 73 73 VAL HA H 73 3.850 3.701 0.149 1
1 910 . 6 1 1 A 73 73 VAL C C 73 177.286 177.965 -0.679 1
1 911 . 6 1 1 A 73 73 VAL CA C 73 64.163 65.780 -1.617 1
1 912 . 6 1 1 A 73 73 VAL CB C 73 32.466 31.815 0.651 1
1 915 . 6 1 1 A 73 73 VAL N N 73 117.289 118.263 -0.974 1
1 916 . 6 1 1 A 74 74 ALA H H 74 7.960 7.943 0.017 1
1 917 . 6 1 1 A 74 74 ALA HA H 74 4.195 4.108 0.087 1
1 921 . 6 1 1 A 74 74 ALA C C 74 178.318 179.283 -0.965 1
1 922 . 6 1 1 A 74 74 ALA CA C 74 53.559 55.258 -1.699 1
1 923 . 6 1 1 A 74 74 ALA CB C 74 18.612 18.111 0.501 1
1 924 . 6 1 1 A 74 74 ALA N N 74 123.977 121.798 2.179 1
1 925 . 6 1 1 A 75 75 ALA H H 75 7.889 7.801 0.088 1
1 926 . 6 1 1 A 75 75 ALA HA H 75 4.214 4.415 -0.201 1
1 930 . 6 1 1 A 75 75 ALA C C 75 178.233 177.868 0.365 1
1 931 . 6 1 1 A 75 75 ALA CA C 75 53.242 52.176 1.066 1
1 932 . 6 1 1 A 75 75 ALA CB C 75 18.812 18.879 -0.067 1
1 933 . 6 1 1 A 75 75 ALA N N 75 120.956 119.662 1.294 1
1 934 . 6 1 1 A 76 76 HIS H H 76 8.057 7.802 0.255 1
1 935 . 6 1 1 A 76 76 HIS HA H 76 4.585 4.245 0.340 1
1 939 . 6 1 1 A 76 76 HIS C C 76 176.217 176.402 -0.185 1
1 940 . 6 1 1 A 76 76 HIS CA C 76 56.644 59.195 -2.551 1
1 941 . 6 1 1 A 76 76 HIS CB C 76 30.282 29.901 0.381 1
1 943 . 6 1 1 A 76 76 HIS N N 76 117.302 117.935 -0.633 1
1 944 . 6 1 1 A 77 77 GLY H H 77 8.229 8.012 0.217 1
1 945 . 6 1 1 A 77 77 GLY HA2 H 77 3.951 3.938 0.013 1
1 946 . 6 1 1 A 77 77 GLY HA3 H 77 3.951 4.006 -0.055 1
1 947 . 6 1 1 A 77 77 GLY C C 77 174.415 174.798 -0.383 1
1 948 . 6 1 1 A 77 77 GLY CA C 77 45.560 46.590 -1.030 1
1 949 . 6 1 1 A 77 77 GLY N N 77 109.118 105.822 3.296 1
1 950 . 6 1 1 A 78 78 GLU H H 78 8.335 8.336 -0.001 1
1 951 . 6 1 1 A 78 78 GLU HA H 78 4.210 4.714 -0.504 1
1 956 . 6 1 1 A 78 78 GLU C C 78 177.052 176.993 0.059 1
1 957 . 6 1 1 A 78 78 GLU CA C 78 56.836 56.844 -0.008 1
1 958 . 6 1 1 A 78 78 GLU CB C 78 30.136 29.873 0.263 1
1 960 . 6 1 1 A 78 78 GLU N N 78 120.947 121.405 -0.458 1
1 961 . 6 1 1 A 79 79 LYS H H 79 8.299 7.791 0.508 1
1 962 . 6 1 1 A 79 79 LYS HA H 79 4.205 4.262 -0.057 1
1 971 . 6 1 1 A 79 79 LYS C C 79 176.656 177.044 -0.388 1
1 972 . 6 1 1 A 79 79 LYS CA C 79 57.057 56.437 0.620 1
1 973 . 6 1 1 A 79 79 LYS CB C 79 32.811 33.171 -0.360 1
1 977 . 6 1 1 A 79 79 LYS N N 79 121.638 117.698 3.940 1
1 978 . 6 1 1 A 80 80 ALA H H 80 8.142 7.735 0.407 1
1 979 . 6 1 1 A 80 80 ALA HA H 80 4.245 4.443 -0.198 1
1 983 . 6 1 1 A 80 80 ALA C C 80 177.868 176.065 1.803 1
1 984 . 6 1 1 A 80 80 ALA CA C 80 52.706 51.118 1.588 1
1 985 . 6 1 1 A 80 80 ALA CB C 80 19.117 18.953 0.164 1
1 986 . 6 1 1 A 80 80 ALA N N 80 123.770 122.782 0.988 1
1 987 . 6 1 1 A 81 81 LEU H H 81 8.040 8.668 -0.628 1
1 988 . 6 1 1 A 81 81 LEU HA H 81 4.245 4.808 -0.563 1
1 998 . 6 1 1 A 81 81 LEU C C 81 177.434 175.782 1.652 1
1 999 . 6 1 1 A 81 81 LEU CA C 81 55.673 54.643 1.030 1
1 1000 . 6 1 1 A 81 81 LEU CB C 81 42.160 40.378 1.782 1
1 1004 . 6 1 1 A 81 81 LEU N N 81 120.893 125.125 -4.232 1
1 1005 . 6 1 1 A 82 82 LYS H H 82 8.178 8.025 0.153 1
1 1006 . 6 1 1 A 82 82 LYS HA H 82 4.283 4.581 -0.298 1
1 1015 . 6 1 1 A 82 82 LYS C C 82 176.810 177.143 -0.333 1
1 1016 . 6 1 1 A 82 82 LYS CA C 82 56.715 55.275 1.440 1
1 1017 . 6 1 1 A 82 82 LYS CB C 82 32.846 34.528 -1.682 1
1 1021 . 6 1 1 A 82 82 LYS N N 82 121.957 124.672 -2.715 1
1 1022 . 6 1 1 A 83 83 VAL H H 83 8.123 8.687 -0.564 1
1 1023 . 6 1 1 A 83 83 VAL HA H 83 4.093 3.908 0.185 1
1 1031 . 6 1 1 A 83 83 VAL C C 83 176.604 177.834 -1.230 1
1 1032 . 6 1 1 A 83 83 VAL CA C 83 62.964 65.427 -2.463 1
1 1033 . 6 1 1 A 83 83 VAL CB C 83 32.742 31.728 1.014 1
1 1036 . 6 1 1 A 83 83 VAL N N 83 121.150 125.617 -4.467 1
1 1037 . 6 1 1 A 84 84 THR H H 84 8.162 7.883 0.279 1
1 1038 . 6 1 1 A 84 84 THR HA H 84 4.276 4.197 0.079 1
1 1043 . 6 1 1 A 84 84 THR C C 84 174.773 175.844 -1.071 1
1 1044 . 6 1 1 A 84 84 THR CA C 84 62.558 65.290 -2.732 1
1 1045 . 6 1 1 A 84 84 THR CB C 84 69.726 68.621 1.105 1
1 1047 . 6 1 1 A 84 84 THR N N 84 117.587 116.332 1.255 1
1 1048 . 6 1 1 A 85 85 MET H H 85 8.353 8.316 0.037 1
1 1049 . 6 1 1 A 85 85 MET HA H 85 4.448 4.385 0.063 1
1 1054 . 6 1 1 A 85 85 MET C C 85 176.518 177.935 -1.417 1
1 1055 . 6 1 1 A 85 85 MET CA C 85 56.074 56.824 -0.750 1
1 1056 . 6 1 1 A 85 85 MET CB C 85 32.837 32.792 0.045 1
1 1058 . 6 1 1 A 85 85 MET N N 85 122.707 119.234 3.473 1
1 1059 . 6 1 1 A 86 86 ILE H H 86 8.113 7.916 0.197 1
1 1060 . 6 1 1 A 86 86 ILE HA H 86 4.061 3.879 0.182 1
1 1070 . 6 1 1 A 86 86 ILE C C 86 176.712 177.939 -1.227 1
1 1071 . 6 1 1 A 86 86 ILE CA C 86 62.006 65.328 -3.322 1
1 1072 . 6 1 1 A 86 86 ILE CB C 86 38.402 37.347 1.055 1
1 1076 . 6 1 1 A 86 86 ILE N N 86 121.834 121.377 0.457 1
1 1077 . 6 1 1 A 87 87 GLN H H 87 8.328 8.218 0.110 1
1 1078 . 6 1 1 A 87 87 GLN HA H 87 4.190 3.945 0.245 1
1 1085 . 6 1 1 A 87 87 GLN C C 87 176.617 178.217 -1.600 1
1 1086 . 6 1 1 A 87 87 GLN CA C 87 56.798 59.131 -2.333 1
1 1087 . 6 1 1 A 87 87 GLN CB C 87 29.044 28.053 0.991 1
1 1089 . 6 1 1 A 87 87 GLN N N 87 123.529 120.862 2.667 1
1 1091 . 6 1 1 A 88 88 LYS H H 88 8.232 7.723 0.509 1
1 1092 . 6 1 1 A 88 88 LYS HA H 88 4.133 4.007 0.126 1
1 1101 . 6 1 1 A 88 88 LYS C C 88 176.983 178.032 -1.049 1
1 1102 . 6 1 1 A 88 88 LYS CA C 88 57.289 58.808 -1.519 1
1 1103 . 6 1 1 A 88 88 LYS CB C 88 32.806 31.762 1.044 1
1 1107 . 6 1 1 A 88 88 LYS N N 88 121.677 117.924 3.753 1
1 1108 . 6 1 1 A 89 89 TYR H H 89 8.086 6.976 1.110 1
1 1109 . 6 1 1 A 89 89 TYR HA H 89 4.492 4.408 0.084 1
1 1116 . 6 1 1 A 89 89 TYR C C 89 176.250 178.388 -2.138 1
1 1117 . 6 1 1 A 89 89 TYR CA C 89 58.546 60.733 -2.187 1
1 1118 . 6 1 1 A 89 89 TYR CB C 89 38.410 38.045 0.365 1
1 1123 . 6 1 1 A 89 89 TYR N N 89 119.993 118.852 1.141 1
1 1124 . 6 1 1 A 90 90 ARG H H 90 8.127 7.928 0.199 1
1 1125 . 6 1 1 A 90 90 ARG HA H 90 4.119 4.295 -0.176 1
1 1132 . 6 1 1 A 90 90 ARG C C 90 176.628 178.389 -1.761 1
1 1133 . 6 1 1 A 90 90 ARG CA C 90 57.085 58.634 -1.549 1
1 1134 . 6 1 1 A 90 90 ARG CB C 90 30.568 30.061 0.507 1
1 1137 . 6 1 1 A 90 90 ARG N N 90 121.679 120.182 1.497 1
1 1138 . 6 1 1 A 91 91 GLN H H 91 8.232 7.938 0.294 1
1 1139 . 6 1 1 A 91 91 GLN HA H 91 4.179 4.169 0.010 1
1 1146 . 6 1 1 A 91 91 GLN C C 91 176.491 178.716 -2.225 1
1 1147 . 6 1 1 A 91 91 GLN CA C 91 56.800 57.787 -0.987 1
1 1148 . 6 1 1 A 91 91 GLN CB C 91 29.129 28.196 0.933 1
1 1150 . 6 1 1 A 91 91 GLN N N 91 120.420 117.157 3.263 1
1 1152 . 6 1 1 A 92 92 LEU H H 92 8.118 8.054 0.064 1
1 1153 . 6 1 1 A 92 92 LEU HA H 92 4.269 4.141 0.128 1
1 1162 . 6 1 1 A 92 92 LEU C C 92 177.632 177.507 0.125 1
1 1163 . 6 1 1 A 92 92 LEU CA C 92 55.419 57.143 -1.724 1
1 1164 . 6 1 1 A 92 92 LEU CB C 92 42.238 41.846 0.392 1
1 1167 . 6 1 1 A 92 92 LEU N N 92 122.670 122.815 -0.145 1
1 1168 . 6 1 1 A 93 93 HIS H H 93 8.049 7.870 0.179 1
1 1169 . 6 1 1 A 93 93 HIS HA H 93 4.228 4.544 -0.316 1
1 1172 . 6 1 1 A 93 93 HIS C C 93 177.608 174.493 3.115 1
1 1173 . 6 1 1 A 93 93 HIS CA C 93 55.512 54.002 1.510 1
1 1174 . 6 1 1 A 93 93 HIS CB C 93 42.238 28.048 14.190 1
1 1175 . 6 1 1 A 93 93 HIS N N 93 121.742 118.702 3.040 1
1 1176 . 6 1 1 A 94 94 HIS H H 94 8.153 8.803 -0.650 1
1 1177 . 6 1 1 A 94 94 HIS HA H 94 4.141 4.348 -0.207 1
1 1180 . 6 1 1 A 94 94 HIS CA C 94 56.804 57.145 -0.341 1
1 1181 . 6 1 1 A 94 94 HIS CB C 94 30.254 30.279 -0.025 1
1 1182 . 6 1 1 A 94 94 HIS N N 94 120.504 126.210 -5.706 1
1 1 . 7 1 1 A 2 2 TYR HA H 2 4.593 4.778 -0.185 1
1 8 . 7 1 1 A 2 2 TYR C C 2 174.805 175.321 -0.516 1
1 9 . 7 1 1 A 2 2 TYR CA C 2 57.884 57.125 0.759 1
1 10 . 7 1 1 A 2 2 TYR CB C 2 38.790 37.151 1.639 1
1 15 . 7 1 1 A 3 3 LEU H H 3 8.189 8.198 -0.009 1
1 16 . 7 1 1 A 3 3 LEU HA H 3 4.268 4.566 -0.298 1
1 25 . 7 1 1 A 3 3 LEU C C 3 176.110 175.282 0.828 1
1 26 . 7 1 1 A 3 3 LEU CA C 3 54.574 56.272 -1.698 1
1 27 . 7 1 1 A 3 3 LEU CB C 3 42.796 43.878 -1.082 1
1 30 . 7 1 1 A 3 3 LEU N N 3 126.201 125.337 0.864 1
1 31 . 7 1 1 A 4 4 LYS H H 4 8.132 7.677 0.455 1
1 32 . 7 1 1 A 4 4 LYS HA H 4 4.336 4.645 -0.309 1
1 35 . 7 1 1 A 4 4 LYS C C 4 175.828 173.842 1.986 1
1 36 . 7 1 1 A 4 4 LYS CA C 4 56.186 56.098 0.088 1
1 37 . 7 1 1 A 4 4 LYS CB C 4 33.084 35.867 -2.783 1
1 38 . 7 1 1 A 4 4 LYS N N 4 123.332 118.238 5.094 1
1 39 . 7 1 1 A 5 5 ARG H H 5 8.537 8.880 -0.343 1
1 40 . 7 1 1 A 5 5 ARG HA H 5 4.327 4.564 -0.237 1
1 47 . 7 1 1 A 5 5 ARG C C 5 176.158 175.736 0.422 1
1 48 . 7 1 1 A 5 5 ARG CA C 5 56.076 54.952 1.124 1
1 49 . 7 1 1 A 5 5 ARG CB C 5 31.028 31.779 -0.751 1
1 52 . 7 1 1 A 5 5 ARG N N 5 124.828 128.259 -3.431 1
1 53 . 7 1 1 A 6 6 VAL H H 6 8.344 8.394 -0.050 1
1 54 . 7 1 1 A 6 6 VAL HA H 6 4.154 4.143 0.011 1
1 62 . 7 1 1 A 6 6 VAL C C 6 175.662 174.266 1.396 1
1 63 . 7 1 1 A 6 6 VAL CA C 6 61.973 62.783 -0.810 1
1 64 . 7 1 1 A 6 6 VAL CB C 6 32.937 30.531 2.406 1
1 66 . 7 1 1 A 6 6 VAL N N 6 122.153 124.118 -1.965 1
1 67 . 7 1 1 A 7 7 ASP H H 7 8.469 8.463 0.006 1
1 68 . 7 1 1 A 7 7 ASP HA H 7 4.681 5.396 -0.715 1
1 71 . 7 1 1 A 7 7 ASP C C 7 176.217 175.092 1.125 1
1 72 . 7 1 1 A 7 7 ASP CA C 7 54.202 52.355 1.847 1
1 73 . 7 1 1 A 7 7 ASP CB C 7 41.583 43.382 -1.799 1
1 74 . 7 1 1 A 7 7 ASP N N 7 124.555 129.369 -4.814 1
1 75 . 7 1 1 A 8 8 GLY H H 8 8.185 8.517 -0.332 1
1 76 . 7 1 1 A 8 8 GLY HA2 H 8 4.184 4.196 -0.012 1
1 77 . 7 1 1 A 8 8 GLY HA3 H 8 4.070 4.197 -0.127 1
1 78 . 7 1 1 A 8 8 GLY C C 8 171.436 172.520 -1.084 1
1 79 . 7 1 1 A 8 8 GLY CA C 8 44.634 46.034 -1.400 1
1 80 . 7 1 1 A 8 8 GLY N N 8 109.085 112.840 -3.755 1
1 81 . 7 1 1 A 9 9 PRO HA H 9 4.510 4.754 -0.244 1
1 88 . 7 1 1 A 9 9 PRO C C 9 176.784 176.715 0.069 1
1 89 . 7 1 1 A 9 9 PRO CA C 9 62.869 62.304 0.565 1
1 90 . 7 1 1 A 9 9 PRO CB C 9 32.364 29.799 2.565 1
1 93 . 7 1 1 A 10 10 ARG H H 10 8.761 8.608 0.153 1
1 94 . 7 1 1 A 10 10 ARG HA H 10 4.165 4.269 -0.104 1
1 99 . 7 1 1 A 10 10 ARG C C 10 175.911 176.134 -0.223 1
1 100 . 7 1 1 A 10 10 ARG CA C 10 57.463 57.182 0.281 1
1 101 . 7 1 1 A 10 10 ARG CB C 10 31.030 30.884 0.146 1
1 103 . 7 1 1 A 10 10 ARG N N 10 120.390 121.080 -0.690 1
1 104 . 7 1 1 A 11 11 GLN H H 11 7.790 7.758 0.032 1
1 105 . 7 1 1 A 11 11 GLN HA H 11 5.173 4.931 0.242 1
1 112 . 7 1 1 A 11 11 GLN C C 11 173.893 173.622 0.271 1
1 113 . 7 1 1 A 11 11 GLN CA C 11 54.402 54.745 -0.343 1
1 114 . 7 1 1 A 11 11 GLN CB C 11 31.366 32.101 -0.735 1
1 116 . 7 1 1 A 11 11 GLN N N 11 114.694 115.522 -0.828 1
1 118 . 7 1 1 A 12 12 VAL H H 12 8.803 9.180 -0.377 1
1 119 . 7 1 1 A 12 12 VAL HA H 12 4.625 4.936 -0.311 1
1 127 . 7 1 1 A 12 12 VAL C C 12 173.796 174.190 -0.394 1
1 128 . 7 1 1 A 12 12 VAL CA C 12 60.127 59.668 0.459 1
1 129 . 7 1 1 A 12 12 VAL CB C 12 35.590 35.463 0.127 1
1 132 . 7 1 1 A 12 12 VAL N N 12 115.575 117.979 -2.404 1
1 133 . 7 1 1 A 13 13 THR H H 13 8.553 8.485 0.068 1
1 134 . 7 1 1 A 13 13 THR HA H 13 4.772 4.765 0.007 1
1 139 . 7 1 1 A 13 13 THR C C 13 174.526 174.066 0.460 1
1 140 . 7 1 1 A 13 13 THR CA C 13 61.880 61.794 0.086 1
1 141 . 7 1 1 A 13 13 THR CB C 13 69.319 69.710 -0.391 1
1 143 . 7 1 1 A 13 13 THR N N 13 119.282 117.911 1.371 1
1 144 . 7 1 1 A 14 14 LEU H H 14 9.254 8.837 0.417 1
1 145 . 7 1 1 A 14 14 LEU HA H 14 4.210 4.458 -0.248 1
1 155 . 7 1 1 A 14 14 LEU C C 14 177.361 176.781 0.580 1
1 156 . 7 1 1 A 14 14 LEU CA C 14 54.116 53.041 1.075 1
1 157 . 7 1 1 A 14 14 LEU CB C 14 39.546 41.434 -1.888 1
1 161 . 7 1 1 A 14 14 LEU N N 14 129.147 127.803 1.344 1
1 162 . 7 1 1 A 15 15 PRO HA H 15 4.294 4.475 -0.181 1
1 169 . 7 1 1 A 15 15 PRO C C 15 176.570 177.576 -1.006 1
1 170 . 7 1 1 A 15 15 PRO CA C 15 65.392 64.555 0.837 1
1 171 . 7 1 1 A 15 15 PRO CB C 15 31.808 31.753 0.055 1
1 174 . 7 1 1 A 16 16 ASP H H 16 7.397 8.080 -0.683 1
1 175 . 7 1 1 A 16 16 ASP HA H 16 4.486 4.681 -0.195 1
1 178 . 7 1 1 A 16 16 ASP C C 16 177.056 176.716 0.340 1
1 179 . 7 1 1 A 16 16 ASP CA C 16 53.157 53.900 -0.743 1
1 180 . 7 1 1 A 16 16 ASP CB C 16 39.987 40.880 -0.893 1
1 181 . 7 1 1 A 16 16 ASP N N 16 113.036 114.396 -1.360 1
1 182 . 7 1 1 A 17 17 GLY H H 17 8.399 8.176 0.223 1
1 183 . 7 1 1 A 17 17 GLY HA2 H 17 4.293 3.946 0.347 1
1 184 . 7 1 1 A 17 17 GLY HA3 H 17 3.481 3.954 -0.473 1
1 185 . 7 1 1 A 17 17 GLY C C 17 174.700 174.487 0.213 1
1 186 . 7 1 1 A 17 17 GLY CA C 17 44.998 45.112 -0.114 1
1 187 . 7 1 1 A 17 17 GLY N N 17 108.859 107.036 1.823 1
1 188 . 7 1 1 A 18 18 THR H H 18 8.003 7.775 0.228 1
1 189 . 7 1 1 A 18 18 THR HA H 18 4.151 4.422 -0.271 1
1 194 . 7 1 1 A 18 18 THR C C 18 172.576 173.755 -1.179 1
1 195 . 7 1 1 A 18 18 THR CA C 18 63.144 62.120 1.024 1
1 196 . 7 1 1 A 18 18 THR CB C 18 69.888 69.743 0.145 1
1 198 . 7 1 1 A 18 18 THR N N 18 116.015 116.947 -0.932 1
1 199 . 7 1 1 A 19 19 VAL H H 19 8.384 8.429 -0.045 1
1 200 . 7 1 1 A 19 19 VAL HA H 19 4.726 4.807 -0.081 1
1 208 . 7 1 1 A 19 19 VAL C C 19 175.823 174.242 1.581 1
1 209 . 7 1 1 A 19 19 VAL CA C 19 61.491 60.985 0.506 1
1 210 . 7 1 1 A 19 19 VAL CB C 19 33.757 33.774 -0.017 1
1 213 . 7 1 1 A 19 19 VAL N N 19 121.723 122.532 -0.809 1
1 214 . 7 1 1 A 20 20 LEU H H 20 8.948 9.056 -0.108 1
1 215 . 7 1 1 A 20 20 LEU HA H 20 4.784 5.073 -0.289 1
1 225 . 7 1 1 A 20 20 LEU C C 20 174.749 176.185 -1.436 1
1 226 . 7 1 1 A 20 20 LEU CA C 20 53.616 53.550 0.066 1
1 227 . 7 1 1 A 20 20 LEU CB C 20 45.062 44.593 0.469 1
1 231 . 7 1 1 A 20 20 LEU N N 20 129.673 130.483 -0.810 1
1 232 . 7 1 1 A 21 21 SER H H 21 9.246 8.989 0.257 1
1 233 . 7 1 1 A 21 21 SER HA H 21 5.207 5.183 0.024 1
1 236 . 7 1 1 A 21 21 SER C C 21 176.047 175.754 0.293 1
1 237 . 7 1 1 A 21 21 SER CA C 21 56.523 56.330 0.193 1
1 238 . 7 1 1 A 21 21 SER CB C 21 66.369 66.407 -0.038 1
1 239 . 7 1 1 A 21 21 SER N N 21 120.387 118.962 1.425 1
1 240 . 7 1 1 A 22 22 ARG H H 22 8.847 8.794 0.053 1
1 241 . 7 1 1 A 22 22 ARG HA H 22 3.868 4.261 -0.393 1
1 248 . 7 1 1 A 22 22 ARG C C 22 178.388 176.783 1.605 1
1 249 . 7 1 1 A 22 22 ARG CA C 22 60.207 58.547 1.660 1
1 250 . 7 1 1 A 22 22 ARG CB C 22 29.118 29.997 -0.879 1
1 253 . 7 1 1 A 22 22 ARG N N 22 122.878 120.543 2.335 1
1 254 . 7 1 1 A 23 23 ALA H H 23 8.243 7.726 0.517 1
1 255 . 7 1 1 A 23 23 ALA HA H 23 4.175 4.290 -0.115 1
1 259 . 7 1 1 A 23 23 ALA C C 23 177.763 177.724 0.039 1
1 260 . 7 1 1 A 23 23 ALA CA C 23 54.000 52.418 1.582 1
1 261 . 7 1 1 A 23 23 ALA CB C 23 18.461 19.693 -1.232 1
1 262 . 7 1 1 A 23 23 ALA N N 23 121.050 121.190 -0.140 1
1 263 . 7 1 1 A 24 24 ASP H H 24 7.597 7.916 -0.319 1
1 264 . 7 1 1 A 24 24 ASP HA H 24 4.632 4.710 -0.078 1
1 267 . 7 1 1 A 24 24 ASP C C 24 176.608 176.853 -0.245 1
1 268 . 7 1 1 A 24 24 ASP CA C 24 54.726 54.809 -0.083 1
1 269 . 7 1 1 A 24 24 ASP CB C 24 42.026 41.728 0.298 1
1 270 . 7 1 1 A 24 24 ASP N N 24 115.095 117.212 -2.117 1
1 271 . 7 1 1 A 25 25 LEU H H 25 7.311 7.372 -0.061 1
1 272 . 7 1 1 A 25 25 LEU HA H 25 4.402 4.488 -0.086 1
1 282 . 7 1 1 A 25 25 LEU C C 25 174.724 174.903 -0.179 1
1 283 . 7 1 1 A 25 25 LEU CA C 25 53.307 53.938 -0.631 1
1 284 . 7 1 1 A 25 25 LEU CB C 25 40.047 41.705 -1.658 1
1 288 . 7 1 1 A 25 25 LEU N N 25 119.781 122.615 -2.834 1
1 289 . 7 1 1 A 26 26 PRO HA H 26 4.745 4.583 0.162 1
1 296 . 7 1 1 A 26 26 PRO CA C 26 61.496 62.242 -0.746 1
1 297 . 7 1 1 A 26 26 PRO CB C 26 30.700 31.832 -1.132 1
1 300 . 7 1 1 A 27 27 PRO HA H 27 4.598 4.626 -0.028 1
1 307 . 7 1 1 A 27 27 PRO C C 27 178.036 177.484 0.552 1
1 308 . 7 1 1 A 27 27 PRO CA C 27 62.923 62.729 0.194 1
1 309 . 7 1 1 A 27 27 PRO CB C 27 32.758 32.624 0.134 1
1 312 . 7 1 1 A 28 28 LEU H H 28 8.880 8.515 0.365 1
1 313 . 7 1 1 A 28 28 LEU HA H 28 4.177 4.312 -0.135 1
1 323 . 7 1 1 A 28 28 LEU C C 28 176.873 178.835 -1.962 1
1 324 . 7 1 1 A 28 28 LEU CA C 28 57.833 57.344 0.489 1
1 325 . 7 1 1 A 28 28 LEU CB C 28 41.291 41.583 -0.292 1
1 329 . 7 1 1 A 28 28 LEU N N 28 122.643 123.278 -0.635 1
1 330 . 7 1 1 A 29 29 ASP H H 29 8.203 8.110 0.093 1
1 331 . 7 1 1 A 29 29 ASP HA H 29 4.615 4.404 0.211 1
1 334 . 7 1 1 A 29 29 ASP C C 29 176.158 176.761 -0.603 1
1 335 . 7 1 1 A 29 29 ASP CA C 29 53.098 56.429 -3.331 1
1 336 . 7 1 1 A 29 29 ASP CB C 29 39.311 40.926 -1.615 1
1 337 . 7 1 1 A 29 29 ASP N N 29 115.741 118.714 -2.973 1
1 338 . 7 1 1 A 30 30 THR H H 30 7.516 7.615 -0.099 1
1 339 . 7 1 1 A 30 30 THR HA H 30 3.599 3.963 -0.364 1
1 344 . 7 1 1 A 30 30 THR C C 30 174.366 174.102 0.264 1
1 345 . 7 1 1 A 30 30 THR CA C 30 65.815 64.285 1.530 1
1 346 . 7 1 1 A 30 30 THR CB C 30 69.989 68.378 1.611 1
1 348 . 7 1 1 A 30 30 THR N N 30 116.808 113.482 3.326 1
1 349 . 7 1 1 A 31 31 ARG H H 31 8.482 8.896 -0.414 1
1 350 . 7 1 1 A 31 31 ARG HA H 31 4.583 4.435 0.148 1
1 358 . 7 1 1 A 31 31 ARG CA C 31 55.399 57.024 -1.625 1
1 359 . 7 1 1 A 31 31 ARG CB C 31 32.296 32.397 -0.101 1
1 362 . 7 1 1 A 31 31 ARG N N 31 124.991 127.975 -2.984 1
1 364 . 7 1 1 A 32 32 ARG HA H 32 4.523 4.500 0.023 1
1 372 . 7 1 1 A 32 32 ARG C C 32 175.341 175.032 0.309 1
1 373 . 7 1 1 A 32 32 ARG CA C 32 54.759 54.824 -0.065 1
1 374 . 7 1 1 A 32 32 ARG CB C 32 30.348 28.795 1.553 1
1 378 . 7 1 1 A 33 33 TRP H H 33 8.923 8.724 0.199 1
1 379 . 7 1 1 A 33 33 TRP HA H 33 4.292 4.811 -0.519 1
1 388 . 7 1 1 A 33 33 TRP C C 33 176.208 176.159 0.049 1
1 389 . 7 1 1 A 33 33 TRP CA C 33 56.923 56.911 0.012 1
1 390 . 7 1 1 A 33 33 TRP CB C 33 28.492 28.301 0.191 1
1 396 . 7 1 1 A 33 33 TRP N N 33 128.804 126.713 2.091 1
1 398 . 7 1 1 A 34 34 VAL H H 34 6.953 8.052 -1.099 1
1 399 . 7 1 1 A 34 34 VAL HA H 34 4.451 4.445 0.006 1
1 407 . 7 1 1 A 34 34 VAL C C 34 177.217 176.608 0.609 1
1 408 . 7 1 1 A 34 34 VAL CA C 34 60.180 60.475 -0.295 1
1 409 . 7 1 1 A 34 34 VAL CB C 34 32.686 34.092 -1.406 1
1 412 . 7 1 1 A 34 34 VAL N N 34 114.683 123.083 -8.400 1
1 413 . 7 1 1 A 35 35 ALA HA H 35 3.745 3.894 -0.149 1
1 417 . 7 1 1 A 35 35 ALA C C 35 180.114 179.797 0.317 1
1 418 . 7 1 1 A 35 35 ALA CA C 35 56.618 55.797 0.821 1
1 419 . 7 1 1 A 35 35 ALA CB C 35 18.334 18.112 0.222 1
1 420 . 7 1 1 A 36 36 SER H H 36 8.841 8.020 0.821 1
1 421 . 7 1 1 A 36 36 SER HA H 36 4.140 4.144 -0.004 1
1 424 . 7 1 1 A 36 36 SER C C 36 177.291 176.762 0.529 1
1 425 . 7 1 1 A 36 36 SER CA C 36 61.250 61.330 -0.080 1
1 426 . 7 1 1 A 36 36 SER CB C 36 61.673 62.871 -1.198 1
1 427 . 7 1 1 A 36 36 SER N N 36 111.913 113.491 -1.578 1
1 428 . 7 1 1 A 37 37 ARG H H 37 7.183 7.597 -0.414 1
1 429 . 7 1 1 A 37 37 ARG HA H 37 4.349 4.193 0.156 1
1 436 . 7 1 1 A 37 37 ARG C C 37 177.816 178.620 -0.804 1
1 437 . 7 1 1 A 37 37 ARG CA C 37 58.944 59.125 -0.181 1
1 438 . 7 1 1 A 37 37 ARG CB C 37 31.009 30.039 0.970 1
1 441 . 7 1 1 A 37 37 ARG N N 37 123.504 121.922 1.582 1
1 442 . 7 1 1 A 38 38 LYS H H 38 7.514 7.835 -0.321 1
1 443 . 7 1 1 A 38 38 LYS HA H 38 3.592 3.557 0.035 1
1 452 . 7 1 1 A 38 38 LYS C C 38 178.935 179.254 -0.319 1
1 453 . 7 1 1 A 38 38 LYS CA C 38 59.846 59.046 0.800 1
1 454 . 7 1 1 A 38 38 LYS CB C 38 33.310 31.452 1.858 1
1 458 . 7 1 1 A 38 38 LYS N N 38 118.200 119.012 -0.812 1
1 459 . 7 1 1 A 39 39 ALA H H 39 8.131 8.086 0.045 1
1 460 . 7 1 1 A 39 39 ALA HA H 39 3.865 4.059 -0.194 1
1 464 . 7 1 1 A 39 39 ALA C C 39 178.995 180.086 -1.091 1
1 465 . 7 1 1 A 39 39 ALA CA C 39 55.093 54.874 0.219 1
1 466 . 7 1 1 A 39 39 ALA CB C 39 18.124 18.199 -0.075 1
1 467 . 7 1 1 A 39 39 ALA N N 39 117.547 122.181 -4.634 1
1 468 . 7 1 1 A 40 40 ALA H H 40 7.375 7.906 -0.531 1
1 469 . 7 1 1 A 40 40 ALA HA H 40 4.134 4.164 -0.030 1
1 473 . 7 1 1 A 40 40 ALA C C 40 179.512 180.057 -0.545 1
1 474 . 7 1 1 A 40 40 ALA CA C 40 55.506 55.334 0.172 1
1 475 . 7 1 1 A 40 40 ALA CB C 40 18.473 18.106 0.367 1
1 476 . 7 1 1 A 40 40 ALA N N 40 119.346 120.936 -1.590 1
1 477 . 7 1 1 A 41 41 VAL H H 41 7.382 7.947 -0.565 1
1 478 . 7 1 1 A 41 41 VAL HA H 41 3.642 3.788 -0.146 1
1 486 . 7 1 1 A 41 41 VAL C C 41 177.423 178.330 -0.907 1
1 487 . 7 1 1 A 41 41 VAL CA C 41 67.279 67.127 0.152 1
1 488 . 7 1 1 A 41 41 VAL CB C 41 32.149 31.760 0.389 1
1 491 . 7 1 1 A 41 41 VAL N N 41 116.434 119.041 -2.607 1
1 492 . 7 1 1 A 42 42 VAL H H 42 8.332 8.260 0.072 1
1 493 . 7 1 1 A 42 42 VAL HA H 42 3.723 4.106 -0.383 1
1 501 . 7 1 1 A 42 42 VAL C C 42 178.381 178.000 0.381 1
1 502 . 7 1 1 A 42 42 VAL CA C 42 67.698 65.432 2.266 1
1 503 . 7 1 1 A 42 42 VAL CB C 42 32.170 31.293 0.877 1
1 506 . 7 1 1 A 42 42 VAL N N 42 118.061 120.468 -2.407 1
1 507 . 7 1 1 A 43 43 LYS H H 43 8.973 8.282 0.691 1
1 508 . 7 1 1 A 43 43 LYS HA H 43 3.977 4.167 -0.190 1
1 517 . 7 1 1 A 43 43 LYS C C 43 177.830 179.341 -1.511 1
1 518 . 7 1 1 A 43 43 LYS CA C 43 60.343 59.453 0.890 1
1 519 . 7 1 1 A 43 43 LYS CB C 43 32.863 32.263 0.600 1
1 523 . 7 1 1 A 43 43 LYS N N 43 118.026 122.505 -4.479 1
1 524 . 7 1 1 A 44 44 ALA H H 44 7.959 7.912 0.047 1
1 525 . 7 1 1 A 44 44 ALA HA H 44 3.968 4.134 -0.166 1
1 529 . 7 1 1 A 44 44 ALA C C 44 178.921 180.274 -1.353 1
1 530 . 7 1 1 A 44 44 ALA CA C 44 55.324 55.287 0.037 1
1 531 . 7 1 1 A 44 44 ALA CB C 44 19.816 18.345 1.471 1
1 532 . 7 1 1 A 44 44 ALA N N 44 119.893 122.594 -2.701 1
1 533 . 7 1 1 A 45 45 VAL H H 45 7.789 7.683 0.106 1
1 534 . 7 1 1 A 45 45 VAL HA H 45 4.494 4.095 0.399 1
1 542 . 7 1 1 A 45 45 VAL C C 45 180.590 178.421 2.169 1
1 543 . 7 1 1 A 45 45 VAL CA C 45 64.383 66.753 -2.370 1
1 544 . 7 1 1 A 45 45 VAL CB C 45 32.456 31.570 0.886 1
1 547 . 7 1 1 A 45 45 VAL N N 45 118.569 117.906 0.663 1
1 548 . 7 1 1 A 46 46 ILE H H 46 8.945 8.463 0.482 1
1 549 . 7 1 1 A 46 46 ILE HA H 46 3.689 3.645 0.044 1
1 559 . 7 1 1 A 46 46 ILE C C 46 178.437 177.689 0.748 1
1 560 . 7 1 1 A 46 46 ILE CA C 46 65.391 64.774 0.617 1
1 561 . 7 1 1 A 46 46 ILE CB C 46 38.182 37.646 0.536 1
1 565 . 7 1 1 A 46 46 ILE N N 46 121.331 120.057 1.274 1
1 566 . 7 1 1 A 47 47 HIS H H 47 8.030 7.475 0.555 1
1 567 . 7 1 1 A 47 47 HIS HA H 47 4.663 4.590 0.073 1
1 572 . 7 1 1 A 47 47 HIS C C 47 175.308 175.478 -0.170 1
1 573 . 7 1 1 A 47 47 HIS CA C 47 56.736 56.038 0.698 1
1 574 . 7 1 1 A 47 47 HIS CB C 47 29.482 30.213 -0.731 1
1 577 . 7 1 1 A 47 47 HIS N N 47 113.700 117.099 -3.399 1
1 578 . 7 1 1 A 48 48 GLY H H 48 7.543 7.603 -0.060 1
1 579 . 7 1 1 A 48 48 GLY HA2 H 48 4.026 3.925 0.101 1
1 580 . 7 1 1 A 48 48 GLY HA3 H 48 3.904 3.930 -0.026 1
1 581 . 7 1 1 A 48 48 GLY C C 48 175.172 175.133 0.039 1
1 582 . 7 1 1 A 48 48 GLY CA C 48 46.740 46.047 0.693 1
1 583 . 7 1 1 A 48 48 GLY N N 48 106.113 107.336 -1.223 1
1 584 . 7 1 1 A 49 49 LEU H H 49 8.803 8.118 0.685 1
1 585 . 7 1 1 A 49 49 LEU HA H 49 4.090 4.100 -0.010 1
1 595 . 7 1 1 A 49 49 LEU C C 49 176.111 176.429 -0.318 1
1 596 . 7 1 1 A 49 49 LEU CA C 49 57.575 57.653 -0.078 1
1 597 . 7 1 1 A 49 49 LEU CB C 49 42.969 42.676 0.293 1
1 601 . 7 1 1 A 49 49 LEU N N 49 122.636 122.036 0.600 1
1 602 . 7 1 1 A 50 50 ILE H H 50 7.257 7.252 0.005 1
1 603 . 7 1 1 A 50 50 ILE HA H 50 4.689 4.980 -0.291 1
1 613 . 7 1 1 A 50 50 ILE C C 50 174.994 174.781 0.213 1
1 614 . 7 1 1 A 50 50 ILE CA C 50 58.262 58.761 -0.499 1
1 615 . 7 1 1 A 50 50 ILE CB C 50 41.641 41.217 0.424 1
1 619 . 7 1 1 A 50 50 ILE N N 50 107.650 114.518 -6.868 1
1 620 . 7 1 1 A 51 51 THR H H 51 8.677 8.044 0.633 1
1 621 . 7 1 1 A 51 51 THR HA H 51 4.466 4.631 -0.165 1
1 627 . 7 1 1 A 51 51 THR C C 51 175.227 175.144 0.083 1
1 628 . 7 1 1 A 51 51 THR CA C 51 60.728 60.514 0.214 1
1 629 . 7 1 1 A 51 51 THR CB C 51 71.216 70.449 0.767 1
1 631 . 7 1 1 A 51 51 THR N N 51 111.798 116.980 -5.182 1
1 632 . 7 1 1 A 52 52 GLU H H 52 9.034 9.097 -0.063 1
1 633 . 7 1 1 A 52 52 GLU HA H 52 3.507 3.508 -0.001 1
1 638 . 7 1 1 A 52 52 GLU C C 52 177.287 178.027 -0.740 1
1 639 . 7 1 1 A 52 52 GLU CA C 52 60.515 59.584 0.931 1
1 640 . 7 1 1 A 52 52 GLU CB C 52 29.418 29.187 0.231 1
1 642 . 7 1 1 A 52 52 GLU N N 52 122.067 126.365 -4.298 1
1 643 . 7 1 1 A 53 53 ARG H H 53 8.213 7.905 0.308 1
1 644 . 7 1 1 A 53 53 ARG HA H 53 3.740 4.009 -0.269 1
1 652 . 7 1 1 A 53 53 ARG C C 53 177.698 179.213 -1.515 1
1 653 . 7 1 1 A 53 53 ARG CA C 53 58.635 58.614 0.021 1
1 654 . 7 1 1 A 53 53 ARG CB C 53 30.257 29.516 0.741 1
1 658 . 7 1 1 A 53 53 ARG N N 53 116.853 119.425 -2.572 1
1 660 . 7 1 1 A 54 54 GLU H H 54 7.747 8.076 -0.329 1
1 661 . 7 1 1 A 54 54 GLU HA H 54 3.978 4.007 -0.029 1
1 666 . 7 1 1 A 54 54 GLU C C 54 178.915 178.598 0.317 1
1 667 . 7 1 1 A 54 54 GLU CA C 54 59.312 59.230 0.082 1
1 668 . 7 1 1 A 54 54 GLU CB C 54 29.678 29.144 0.534 1
1 670 . 7 1 1 A 54 54 GLU N N 54 118.040 119.192 -1.152 1
1 671 . 7 1 1 A 55 55 ALA H H 55 7.932 7.587 0.345 1
1 672 . 7 1 1 A 55 55 ALA HA H 55 3.694 4.135 -0.441 1
1 676 . 7 1 1 A 55 55 ALA C C 55 178.383 179.767 -1.384 1
1 677 . 7 1 1 A 55 55 ALA CA C 55 55.871 55.136 0.735 1
1 678 . 7 1 1 A 55 55 ALA CB C 55 17.664 18.216 -0.552 1
1 679 . 7 1 1 A 55 55 ALA N N 55 122.121 122.609 -0.488 1
1 680 . 7 1 1 A 56 56 LEU H H 56 8.110 7.747 0.363 1
1 681 . 7 1 1 A 56 56 LEU HA H 56 3.605 3.766 -0.161 1
1 691 . 7 1 1 A 56 56 LEU C C 56 180.273 178.898 1.375 1
1 692 . 7 1 1 A 56 56 LEU CA C 56 58.167 58.093 0.074 1
1 693 . 7 1 1 A 56 56 LEU CB C 56 39.563 41.772 -2.209 1
1 697 . 7 1 1 A 56 56 LEU N N 56 114.908 118.970 -4.062 1
1 698 . 7 1 1 A 57 57 ASP H H 57 8.080 8.856 -0.776 1
1 699 . 7 1 1 A 57 57 ASP HA H 57 4.353 4.344 0.009 1
1 702 . 7 1 1 A 57 57 ASP C C 57 179.121 178.068 1.053 1
1 703 . 7 1 1 A 57 57 ASP CA C 57 56.644 57.222 -0.578 1
1 704 . 7 1 1 A 57 57 ASP CB C 57 40.909 40.110 0.799 1
1 705 . 7 1 1 A 57 57 ASP N N 57 117.019 118.798 -1.779 1
1 706 . 7 1 1 A 58 58 ARG H H 58 8.584 7.790 0.794 1
1 707 . 7 1 1 A 58 58 ARG HA H 58 3.728 4.075 -0.347 1
1 715 . 7 1 1 A 58 58 ARG C C 58 177.362 176.431 0.931 1
1 716 . 7 1 1 A 58 58 ARG CA C 58 59.141 57.615 1.526 1
1 717 . 7 1 1 A 58 58 ARG CB C 58 30.462 29.490 0.972 1
1 720 . 7 1 1 A 58 58 ARG N N 58 119.926 117.569 2.357 1
1 722 . 7 1 1 A 59 59 TYR H H 59 7.133 7.349 -0.216 1
1 723 . 7 1 1 A 59 59 TYR HA H 59 5.018 4.757 0.261 1
1 730 . 7 1 1 A 59 59 TYR C C 59 173.865 175.014 -1.149 1
1 731 . 7 1 1 A 59 59 TYR CA C 59 57.348 57.781 -0.433 1
1 732 . 7 1 1 A 59 59 TYR CB C 59 38.052 38.957 -0.905 1
1 737 . 7 1 1 A 59 59 TYR N N 59 111.796 118.172 -6.376 1
1 738 . 7 1 1 A 60 60 SER H H 60 7.542 7.911 -0.369 1
1 739 . 7 1 1 A 60 60 SER HA H 60 4.082 4.138 -0.056 1
1 742 . 7 1 1 A 60 60 SER C C 60 176.402 173.537 2.865 1
1 743 . 7 1 1 A 60 60 SER CA C 60 58.482 59.379 -0.897 1
1 744 . 7 1 1 A 60 60 SER CB C 60 61.229 61.228 0.001 1
1 745 . 7 1 1 A 60 60 SER N N 60 114.624 111.605 3.019 1
1 746 . 7 1 1 A 61 61 LEU H H 61 8.228 7.986 0.242 1
1 747 . 7 1 1 A 61 61 LEU HA H 61 4.583 4.308 0.275 1
1 757 . 7 1 1 A 61 61 LEU C C 61 176.463 176.682 -0.219 1
1 758 . 7 1 1 A 61 61 LEU CA C 61 52.478 54.618 -2.140 1
1 759 . 7 1 1 A 61 61 LEU CB C 61 45.873 42.260 3.613 1
1 763 . 7 1 1 A 61 61 LEU N N 61 119.424 121.777 -2.353 1
1 764 . 7 1 1 A 62 62 SER H H 62 8.376 9.095 -0.719 1
1 765 . 7 1 1 A 62 62 SER HA H 62 4.555 4.550 0.005 1
1 768 . 7 1 1 A 62 62 SER C C 62 175.088 175.715 -0.627 1
1 769 . 7 1 1 A 62 62 SER CA C 62 56.123 57.614 -1.491 1
1 770 . 7 1 1 A 62 62 SER CB C 62 65.560 64.512 1.048 1
1 771 . 7 1 1 A 62 62 SER N N 62 115.890 117.568 -1.678 1
1 772 . 7 1 1 A 63 63 GLU H H 63 9.204 9.029 0.175 1
1 773 . 7 1 1 A 63 63 GLU HA H 63 3.806 3.910 -0.104 1
1 778 . 7 1 1 A 63 63 GLU C C 63 179.412 178.280 1.132 1
1 779 . 7 1 1 A 63 63 GLU CA C 63 60.338 59.554 0.784 1
1 780 . 7 1 1 A 63 63 GLU CB C 63 29.354 29.297 0.057 1
1 782 . 7 1 1 A 63 63 GLU N N 63 122.263 124.296 -2.033 1
1 783 . 7 1 1 A 64 64 GLU H H 64 8.859 8.364 0.495 1
1 784 . 7 1 1 A 64 64 GLU HA H 64 3.969 4.073 -0.104 1
1 789 . 7 1 1 A 64 64 GLU C C 64 178.700 178.952 -0.252 1
1 790 . 7 1 1 A 64 64 GLU CA C 64 59.822 59.329 0.493 1
1 791 . 7 1 1 A 64 64 GLU CB C 64 29.210 29.093 0.117 1
1 793 . 7 1 1 A 64 64 GLU N N 64 119.056 117.782 1.274 1
1 794 . 7 1 1 A 65 65 GLU H H 65 7.864 8.133 -0.269 1
1 795 . 7 1 1 A 65 65 GLU HA H 65 3.960 3.988 -0.028 1
1 800 . 7 1 1 A 65 65 GLU C C 65 177.783 178.393 -0.610 1
1 801 . 7 1 1 A 65 65 GLU CA C 65 58.817 59.350 -0.533 1
1 802 . 7 1 1 A 65 65 GLU CB C 65 29.452 29.142 0.310 1
1 804 . 7 1 1 A 65 65 GLU N N 65 121.783 120.285 1.498 1
1 805 . 7 1 1 A 66 66 PHE H H 66 7.918 7.724 0.194 1
1 806 . 7 1 1 A 66 66 PHE HA H 66 3.294 3.440 -0.146 1
1 814 . 7 1 1 A 66 66 PHE C C 66 177.021 177.675 -0.654 1
1 815 . 7 1 1 A 66 66 PHE CA C 66 61.197 61.124 0.073 1
1 816 . 7 1 1 A 66 66 PHE CB C 66 39.279 39.064 0.215 1
1 820 . 7 1 1 A 66 66 PHE N N 66 117.902 119.956 -2.054 1
1 821 . 7 1 1 A 67 67 ALA H H 67 8.011 8.397 -0.386 1
1 822 . 7 1 1 A 67 67 ALA HA H 67 3.839 4.105 -0.266 1
1 826 . 7 1 1 A 67 67 ALA C C 67 181.069 179.977 1.092 1
1 827 . 7 1 1 A 67 67 ALA CA C 67 55.296 55.275 0.021 1
1 828 . 7 1 1 A 67 67 ALA CB C 67 17.648 18.053 -0.405 1
1 829 . 7 1 1 A 67 67 ALA N N 67 119.951 121.230 -1.279 1
1 830 . 7 1 1 A 68 68 LEU H H 68 7.431 8.004 -0.573 1
1 831 . 7 1 1 A 68 68 LEU HA H 68 4.162 4.009 0.153 1
1 841 . 7 1 1 A 68 68 LEU C C 68 180.631 179.447 1.184 1
1 842 . 7 1 1 A 68 68 LEU CA C 68 57.621 57.898 -0.277 1
1 843 . 7 1 1 A 68 68 LEU CB C 68 41.083 41.988 -0.905 1
1 847 . 7 1 1 A 68 68 LEU N N 68 119.888 118.063 1.825 1
1 848 . 7 1 1 A 69 69 TRP H H 69 8.288 8.071 0.217 1
1 849 . 7 1 1 A 69 69 TRP HA H 69 4.341 4.206 0.135 1
1 858 . 7 1 1 A 69 69 TRP C C 69 179.178 179.225 -0.047 1
1 859 . 7 1 1 A 69 69 TRP CA C 69 59.228 60.097 -0.869 1
1 860 . 7 1 1 A 69 69 TRP CB C 69 28.387 28.922 -0.535 1
1 866 . 7 1 1 A 69 69 TRP N N 69 122.616 119.035 3.581 1
1 868 . 7 1 1 A 70 70 ARG H H 70 8.291 8.062 0.229 1
1 869 . 7 1 1 A 70 70 ARG HA H 70 3.743 4.042 -0.299 1
1 877 . 7 1 1 A 70 70 ARG C C 70 178.811 177.526 1.285 1
1 878 . 7 1 1 A 70 70 ARG CA C 70 59.614 58.115 1.499 1
1 879 . 7 1 1 A 70 70 ARG CB C 70 30.171 29.614 0.557 1
1 882 . 7 1 1 A 70 70 ARG N N 70 117.864 118.154 -0.290 1
1 884 . 7 1 1 A 71 71 SER H H 71 8.000 7.877 0.123 1
1 885 . 7 1 1 A 71 71 SER HA H 71 4.212 4.185 0.027 1
1 888 . 7 1 1 A 71 71 SER C C 71 176.074 175.285 0.789 1
1 889 . 7 1 1 A 71 71 SER CA C 71 61.074 60.864 0.210 1
1 890 . 7 1 1 A 71 71 SER CB C 71 62.891 63.108 -0.217 1
1 891 . 7 1 1 A 71 71 SER N N 71 114.582 116.902 -2.320 1
1 892 . 7 1 1 A 72 72 ALA H H 72 7.816 7.607 0.209 1
1 893 . 7 1 1 A 72 72 ALA HA H 72 4.230 4.272 -0.042 1
1 897 . 7 1 1 A 72 72 ALA C C 72 179.631 179.278 0.353 1
1 898 . 7 1 1 A 72 72 ALA CA C 72 54.245 54.369 -0.124 1
1 899 . 7 1 1 A 72 72 ALA CB C 72 18.687 19.669 -0.982 1
1 900 . 7 1 1 A 72 72 ALA N N 72 124.141 122.810 1.331 1
1 901 . 7 1 1 A 73 73 VAL H H 73 7.728 8.313 -0.585 1
1 902 . 7 1 1 A 73 73 VAL HA H 73 3.850 3.495 0.355 1
1 910 . 7 1 1 A 73 73 VAL C C 73 177.286 177.138 0.148 1
1 911 . 7 1 1 A 73 73 VAL CA C 73 64.163 66.542 -2.379 1
1 912 . 7 1 1 A 73 73 VAL CB C 73 32.466 31.600 0.866 1
1 915 . 7 1 1 A 73 73 VAL N N 73 117.289 117.585 -0.296 1
1 916 . 7 1 1 A 74 74 ALA H H 74 7.960 7.536 0.424 1
1 917 . 7 1 1 A 74 74 ALA HA H 74 4.195 4.218 -0.023 1
1 921 . 7 1 1 A 74 74 ALA C C 74 178.318 177.842 0.476 1
1 922 . 7 1 1 A 74 74 ALA CA C 74 53.559 53.215 0.344 1
1 923 . 7 1 1 A 74 74 ALA CB C 74 18.612 17.854 0.758 1
1 924 . 7 1 1 A 74 74 ALA N N 74 123.977 120.899 3.078 1
1 925 . 7 1 1 A 75 75 ALA H H 75 7.889 7.838 0.051 1
1 926 . 7 1 1 A 75 75 ALA HA H 75 4.214 4.614 -0.400 1
1 930 . 7 1 1 A 75 75 ALA C C 75 178.233 176.418 1.815 1
1 931 . 7 1 1 A 75 75 ALA CA C 75 53.242 51.276 1.966 1
1 932 . 7 1 1 A 75 75 ALA CB C 75 18.812 20.450 -1.638 1
1 933 . 7 1 1 A 75 75 ALA N N 75 120.956 121.641 -0.685 1
1 934 . 7 1 1 A 76 76 HIS H H 76 8.057 7.824 0.233 1
1 935 . 7 1 1 A 76 76 HIS HA H 76 4.585 5.114 -0.529 1
1 939 . 7 1 1 A 76 76 HIS C C 76 176.217 174.670 1.547 1
1 940 . 7 1 1 A 76 76 HIS CA C 76 56.644 54.111 2.533 1
1 941 . 7 1 1 A 76 76 HIS CB C 76 30.282 31.586 -1.304 1
1 943 . 7 1 1 A 76 76 HIS N N 76 117.302 119.485 -2.183 1
1 944 . 7 1 1 A 77 77 GLY H H 77 8.229 8.391 -0.162 1
1 945 . 7 1 1 A 77 77 GLY HA2 H 77 3.951 3.815 0.136 1
1 946 . 7 1 1 A 77 77 GLY HA3 H 77 3.951 4.025 -0.074 1
1 947 . 7 1 1 A 77 77 GLY C C 77 174.415 174.226 0.189 1
1 948 . 7 1 1 A 77 77 GLY CA C 77 45.560 45.392 0.168 1
1 949 . 7 1 1 A 77 77 GLY N N 77 109.118 112.464 -3.346 1
1 950 . 7 1 1 A 78 78 GLU H H 78 8.335 8.545 -0.210 1
1 951 . 7 1 1 A 78 78 GLU HA H 78 4.210 4.290 -0.080 1
1 956 . 7 1 1 A 78 78 GLU C C 78 177.052 178.022 -0.970 1
1 957 . 7 1 1 A 78 78 GLU CA C 78 56.836 57.691 -0.855 1
1 958 . 7 1 1 A 78 78 GLU CB C 78 30.136 30.704 -0.568 1
1 960 . 7 1 1 A 78 78 GLU N N 78 120.947 121.793 -0.846 1
1 961 . 7 1 1 A 79 79 LYS H H 79 8.299 7.712 0.587 1
1 962 . 7 1 1 A 79 79 LYS HA H 79 4.205 4.165 0.040 1
1 971 . 7 1 1 A 79 79 LYS C C 79 176.656 176.898 -0.242 1
1 972 . 7 1 1 A 79 79 LYS CA C 79 57.057 58.184 -1.127 1
1 973 . 7 1 1 A 79 79 LYS CB C 79 32.811 32.900 -0.089 1
1 977 . 7 1 1 A 79 79 LYS N N 79 121.638 118.582 3.056 1
1 978 . 7 1 1 A 80 80 ALA H H 80 8.142 7.672 0.470 1
1 979 . 7 1 1 A 80 80 ALA HA H 80 4.245 4.664 -0.419 1
1 983 . 7 1 1 A 80 80 ALA C C 80 177.868 175.443 2.425 1
1 984 . 7 1 1 A 80 80 ALA CA C 80 52.706 51.450 1.256 1
1 985 . 7 1 1 A 80 80 ALA CB C 80 19.117 22.810 -3.693 1
1 986 . 7 1 1 A 80 80 ALA N N 80 123.770 117.101 6.669 1
1 987 . 7 1 1 A 81 81 LEU H H 81 8.040 8.804 -0.764 1
1 988 . 7 1 1 A 81 81 LEU HA H 81 4.245 4.861 -0.616 1
1 998 . 7 1 1 A 81 81 LEU C C 81 177.434 176.025 1.409 1
1 999 . 7 1 1 A 81 81 LEU CA C 81 55.673 54.146 1.527 1
1 1000 . 7 1 1 A 81 81 LEU CB C 81 42.160 42.166 -0.006 1
1 1004 . 7 1 1 A 81 81 LEU N N 81 120.893 122.532 -1.639 1
1 1005 . 7 1 1 A 82 82 LYS H H 82 8.178 8.527 -0.349 1
1 1006 . 7 1 1 A 82 82 LYS HA H 82 4.283 4.219 0.064 1
1 1015 . 7 1 1 A 82 82 LYS C C 82 176.810 177.967 -1.157 1
1 1016 . 7 1 1 A 82 82 LYS CA C 82 56.715 56.660 0.055 1
1 1017 . 7 1 1 A 82 82 LYS CB C 82 32.846 33.621 -0.775 1
1 1021 . 7 1 1 A 82 82 LYS N N 82 121.957 125.870 -3.913 1
1 1022 . 7 1 1 A 83 83 VAL H H 83 8.123 8.543 -0.420 1
1 1023 . 7 1 1 A 83 83 VAL HA H 83 4.093 3.910 0.183 1
1 1031 . 7 1 1 A 83 83 VAL C C 83 176.604 177.293 -0.689 1
1 1032 . 7 1 1 A 83 83 VAL CA C 83 62.964 64.919 -1.955 1
1 1033 . 7 1 1 A 83 83 VAL CB C 83 32.742 31.874 0.868 1
1 1036 . 7 1 1 A 83 83 VAL N N 83 121.150 127.338 -6.188 1
1 1037 . 7 1 1 A 84 84 THR H H 84 8.162 7.615 0.547 1
1 1038 . 7 1 1 A 84 84 THR HA H 84 4.276 4.337 -0.061 1
1 1043 . 7 1 1 A 84 84 THR C C 84 174.773 175.316 -0.543 1
1 1044 . 7 1 1 A 84 84 THR CA C 84 62.558 64.084 -1.526 1
1 1045 . 7 1 1 A 84 84 THR CB C 84 69.726 68.591 1.135 1
1 1047 . 7 1 1 A 84 84 THR N N 84 117.587 115.523 2.064 1
1 1048 . 7 1 1 A 85 85 MET H H 85 8.353 8.216 0.137 1
1 1049 . 7 1 1 A 85 85 MET HA H 85 4.448 4.287 0.161 1
1 1054 . 7 1 1 A 85 85 MET C C 85 176.518 177.908 -1.390 1
1 1055 . 7 1 1 A 85 85 MET CA C 85 56.074 57.447 -1.373 1
1 1056 . 7 1 1 A 85 85 MET CB C 85 32.837 32.679 0.158 1
1 1058 . 7 1 1 A 85 85 MET N N 85 122.707 119.851 2.856 1
1 1059 . 7 1 1 A 86 86 ILE H H 86 8.113 7.940 0.173 1
1 1060 . 7 1 1 A 86 86 ILE HA H 86 4.061 3.850 0.211 1
1 1070 . 7 1 1 A 86 86 ILE C C 86 176.712 177.911 -1.199 1
1 1071 . 7 1 1 A 86 86 ILE CA C 86 62.006 64.945 -2.939 1
1 1072 . 7 1 1 A 86 86 ILE CB C 86 38.402 37.595 0.807 1
1 1076 . 7 1 1 A 86 86 ILE N N 86 121.834 119.738 2.096 1
1 1077 . 7 1 1 A 87 87 GLN H H 87 8.328 8.160 0.168 1
1 1078 . 7 1 1 A 87 87 GLN HA H 87 4.190 3.963 0.227 1
1 1085 . 7 1 1 A 87 87 GLN C C 87 176.617 178.267 -1.650 1
1 1086 . 7 1 1 A 87 87 GLN CA C 87 56.798 59.447 -2.649 1
1 1087 . 7 1 1 A 87 87 GLN CB C 87 29.044 28.121 0.923 1
1 1089 . 7 1 1 A 87 87 GLN N N 87 123.529 120.243 3.286 1
1 1091 . 7 1 1 A 88 88 LYS H H 88 8.232 7.761 0.471 1
1 1092 . 7 1 1 A 88 88 LYS HA H 88 4.133 4.137 -0.004 1
1 1101 . 7 1 1 A 88 88 LYS C C 88 176.983 178.243 -1.260 1
1 1102 . 7 1 1 A 88 88 LYS CA C 88 57.289 58.427 -1.138 1
1 1103 . 7 1 1 A 88 88 LYS CB C 88 32.806 31.920 0.886 1
1 1107 . 7 1 1 A 88 88 LYS N N 88 121.677 118.980 2.697 1
1 1108 . 7 1 1 A 89 89 TYR H H 89 8.086 7.215 0.871 1
1 1109 . 7 1 1 A 89 89 TYR HA H 89 4.492 4.831 -0.339 1
1 1116 . 7 1 1 A 89 89 TYR C C 89 176.250 177.690 -1.440 1
1 1117 . 7 1 1 A 89 89 TYR CA C 89 58.546 61.773 -3.227 1
1 1118 . 7 1 1 A 89 89 TYR CB C 89 38.410 37.961 0.449 1
1 1123 . 7 1 1 A 89 89 TYR N N 89 119.993 118.836 1.157 1
1 1124 . 7 1 1 A 90 90 ARG H H 90 8.127 7.597 0.530 1
1 1125 . 7 1 1 A 90 90 ARG HA H 90 4.119 4.271 -0.152 1
1 1132 . 7 1 1 A 90 90 ARG C C 90 176.628 177.905 -1.277 1
1 1133 . 7 1 1 A 90 90 ARG CA C 90 57.085 58.092 -1.007 1
1 1134 . 7 1 1 A 90 90 ARG CB C 90 30.568 30.635 -0.067 1
1 1137 . 7 1 1 A 90 90 ARG N N 90 121.679 120.422 1.257 1
1 1138 . 7 1 1 A 91 91 GLN H H 91 8.232 7.915 0.317 1
1 1139 . 7 1 1 A 91 91 GLN HA H 91 4.179 4.229 -0.050 1
1 1146 . 7 1 1 A 91 91 GLN C C 91 176.491 176.512 -0.021 1
1 1147 . 7 1 1 A 91 91 GLN CA C 91 56.800 55.882 0.918 1
1 1148 . 7 1 1 A 91 91 GLN CB C 91 29.129 27.778 1.351 1
1 1150 . 7 1 1 A 91 91 GLN N N 91 120.420 116.865 3.555 1
1 1152 . 7 1 1 A 92 92 LEU H H 92 8.118 7.572 0.546 1
1 1153 . 7 1 1 A 92 92 LEU HA H 92 4.269 4.073 0.196 1
1 1162 . 7 1 1 A 92 92 LEU C C 92 177.632 176.744 0.888 1
1 1163 . 7 1 1 A 92 92 LEU CA C 92 55.419 56.450 -1.031 1
1 1164 . 7 1 1 A 92 92 LEU CB C 92 42.238 42.544 -0.306 1
1 1167 . 7 1 1 A 92 92 LEU N N 92 122.670 117.849 4.821 1
1 1168 . 7 1 1 A 93 93 HIS H H 93 8.049 8.184 -0.135 1
1 1169 . 7 1 1 A 93 93 HIS HA H 93 4.228 4.360 -0.132 1
1 1172 . 7 1 1 A 93 93 HIS C C 93 177.608 174.729 2.879 1
1 1173 . 7 1 1 A 93 93 HIS CA C 93 55.512 56.765 -1.253 1
1 1174 . 7 1 1 A 93 93 HIS CB C 93 42.238 27.331 14.907 1
1 1175 . 7 1 1 A 93 93 HIS N N 93 121.742 118.697 3.045 1
1 1176 . 7 1 1 A 94 94 HIS H H 94 8.153 8.235 -0.082 1
1 1177 . 7 1 1 A 94 94 HIS HA H 94 4.141 4.757 -0.616 1
1 1180 . 7 1 1 A 94 94 HIS CA C 94 56.804 56.348 0.456 1
1 1181 . 7 1 1 A 94 94 HIS CB C 94 30.254 32.703 -2.449 1
1 1182 . 7 1 1 A 94 94 HIS N N 94 120.504 123.873 -3.369 1
1 1 . 8 1 1 A 2 2 TYR HA H 2 4.593 4.754 -0.161 1
1 8 . 8 1 1 A 2 2 TYR C C 2 174.805 175.964 -1.159 1
1 9 . 8 1 1 A 2 2 TYR CA C 2 57.884 57.638 0.246 1
1 10 . 8 1 1 A 2 2 TYR CB C 2 38.790 37.654 1.136 1
1 15 . 8 1 1 A 3 3 LEU H H 3 8.189 8.744 -0.555 1
1 16 . 8 1 1 A 3 3 LEU HA H 3 4.268 4.024 0.244 1
1 25 . 8 1 1 A 3 3 LEU C C 3 176.110 176.475 -0.365 1
1 26 . 8 1 1 A 3 3 LEU CA C 3 54.574 57.290 -2.716 1
1 27 . 8 1 1 A 3 3 LEU CB C 3 42.796 40.804 1.992 1
1 30 . 8 1 1 A 3 3 LEU N N 3 126.201 123.339 2.862 1
1 31 . 8 1 1 A 4 4 LYS H H 4 8.132 8.277 -0.145 1
1 32 . 8 1 1 A 4 4 LYS HA H 4 4.336 4.673 -0.337 1
1 35 . 8 1 1 A 4 4 LYS C C 4 175.828 175.759 0.069 1
1 36 . 8 1 1 A 4 4 LYS CA C 4 56.186 57.695 -1.509 1
1 37 . 8 1 1 A 4 4 LYS CB C 4 33.084 35.368 -2.284 1
1 38 . 8 1 1 A 4 4 LYS N N 4 123.332 121.191 2.141 1
1 39 . 8 1 1 A 5 5 ARG H H 5 8.537 7.858 0.679 1
1 40 . 8 1 1 A 5 5 ARG HA H 5 4.327 4.831 -0.504 1
1 47 . 8 1 1 A 5 5 ARG C C 5 176.158 174.974 1.184 1
1 48 . 8 1 1 A 5 5 ARG CA C 5 56.076 54.819 1.257 1
1 49 . 8 1 1 A 5 5 ARG CB C 5 31.028 31.645 -0.617 1
1 52 . 8 1 1 A 5 5 ARG N N 5 124.828 119.782 5.046 1
1 53 . 8 1 1 A 6 6 VAL H H 6 8.344 8.975 -0.631 1
1 54 . 8 1 1 A 6 6 VAL HA H 6 4.154 4.057 0.097 1
1 62 . 8 1 1 A 6 6 VAL C C 6 175.662 176.941 -1.279 1
1 63 . 8 1 1 A 6 6 VAL CA C 6 61.973 63.486 -1.513 1
1 64 . 8 1 1 A 6 6 VAL CB C 6 32.937 31.130 1.807 1
1 66 . 8 1 1 A 6 6 VAL N N 6 122.153 127.360 -5.207 1
1 67 . 8 1 1 A 7 7 ASP H H 7 8.469 8.893 -0.424 1
1 68 . 8 1 1 A 7 7 ASP HA H 7 4.681 4.434 0.247 1
1 71 . 8 1 1 A 7 7 ASP C C 7 176.217 176.108 0.109 1
1 72 . 8 1 1 A 7 7 ASP CA C 7 54.202 54.827 -0.625 1
1 73 . 8 1 1 A 7 7 ASP CB C 7 41.583 41.148 0.435 1
1 74 . 8 1 1 A 7 7 ASP N N 7 124.555 126.205 -1.650 1
1 75 . 8 1 1 A 8 8 GLY H H 8 8.185 7.194 0.991 1
1 76 . 8 1 1 A 8 8 GLY HA2 H 8 4.184 4.010 0.174 1
1 77 . 8 1 1 A 8 8 GLY HA3 H 8 4.070 4.031 0.039 1
1 78 . 8 1 1 A 8 8 GLY C C 8 171.436 171.064 0.372 1
1 79 . 8 1 1 A 8 8 GLY CA C 8 44.634 45.089 -0.455 1
1 80 . 8 1 1 A 8 8 GLY N N 8 109.085 106.291 2.794 1
1 81 . 8 1 1 A 9 9 PRO HA H 9 4.510 4.680 -0.170 1
1 88 . 8 1 1 A 9 9 PRO C C 9 176.784 176.415 0.369 1
1 89 . 8 1 1 A 9 9 PRO CA C 9 62.869 62.531 0.338 1
1 90 . 8 1 1 A 9 9 PRO CB C 9 32.364 33.077 -0.713 1
1 93 . 8 1 1 A 10 10 ARG H H 10 8.761 9.105 -0.344 1
1 94 . 8 1 1 A 10 10 ARG HA H 10 4.165 4.301 -0.136 1
1 99 . 8 1 1 A 10 10 ARG C C 10 175.911 176.153 -0.242 1
1 100 . 8 1 1 A 10 10 ARG CA C 10 57.463 57.253 0.210 1
1 101 . 8 1 1 A 10 10 ARG CB C 10 31.030 31.223 -0.193 1
1 103 . 8 1 1 A 10 10 ARG N N 10 120.390 119.613 0.777 1
1 104 . 8 1 1 A 11 11 GLN H H 11 7.790 7.829 -0.039 1
1 105 . 8 1 1 A 11 11 GLN HA H 11 5.173 5.182 -0.009 1
1 112 . 8 1 1 A 11 11 GLN C C 11 173.893 173.778 0.115 1
1 113 . 8 1 1 A 11 11 GLN CA C 11 54.402 54.754 -0.352 1
1 114 . 8 1 1 A 11 11 GLN CB C 11 31.366 31.968 -0.602 1
1 116 . 8 1 1 A 11 11 GLN N N 11 114.694 115.752 -1.058 1
1 118 . 8 1 1 A 12 12 VAL H H 12 8.803 9.107 -0.304 1
1 119 . 8 1 1 A 12 12 VAL HA H 12 4.625 4.930 -0.305 1
1 127 . 8 1 1 A 12 12 VAL C C 12 173.796 174.233 -0.437 1
1 128 . 8 1 1 A 12 12 VAL CA C 12 60.127 59.438 0.689 1
1 129 . 8 1 1 A 12 12 VAL CB C 12 35.590 35.661 -0.071 1
1 132 . 8 1 1 A 12 12 VAL N N 12 115.575 117.685 -2.110 1
1 133 . 8 1 1 A 13 13 THR H H 13 8.553 8.681 -0.128 1
1 134 . 8 1 1 A 13 13 THR HA H 13 4.772 4.618 0.154 1
1 139 . 8 1 1 A 13 13 THR C C 13 174.526 174.181 0.345 1
1 140 . 8 1 1 A 13 13 THR CA C 13 61.880 62.343 -0.463 1
1 141 . 8 1 1 A 13 13 THR CB C 13 69.319 69.675 -0.356 1
1 143 . 8 1 1 A 13 13 THR N N 13 119.282 118.706 0.576 1
1 144 . 8 1 1 A 14 14 LEU H H 14 9.254 8.976 0.278 1
1 145 . 8 1 1 A 14 14 LEU HA H 14 4.210 4.528 -0.318 1
1 155 . 8 1 1 A 14 14 LEU C C 14 177.361 176.672 0.689 1
1 156 . 8 1 1 A 14 14 LEU CA C 14 54.116 52.696 1.420 1
1 157 . 8 1 1 A 14 14 LEU CB C 14 39.546 41.627 -2.081 1
1 161 . 8 1 1 A 14 14 LEU N N 14 129.147 127.749 1.398 1
1 162 . 8 1 1 A 15 15 PRO HA H 15 4.294 4.659 -0.365 1
1 169 . 8 1 1 A 15 15 PRO C C 15 176.570 176.704 -0.134 1
1 170 . 8 1 1 A 15 15 PRO CA C 15 65.392 64.321 1.071 1
1 171 . 8 1 1 A 15 15 PRO CB C 15 31.808 31.855 -0.047 1
1 174 . 8 1 1 A 16 16 ASP H H 16 7.397 7.862 -0.465 1
1 175 . 8 1 1 A 16 16 ASP HA H 16 4.486 4.595 -0.109 1
1 178 . 8 1 1 A 16 16 ASP C C 16 177.056 177.220 -0.164 1
1 179 . 8 1 1 A 16 16 ASP CA C 16 53.157 53.061 0.096 1
1 180 . 8 1 1 A 16 16 ASP CB C 16 39.987 40.236 -0.249 1
1 181 . 8 1 1 A 16 16 ASP N N 16 113.036 114.920 -1.884 1
1 182 . 8 1 1 A 17 17 GLY H H 17 8.399 8.098 0.301 1
1 183 . 8 1 1 A 17 17 GLY HA2 H 17 4.293 3.971 0.322 1
1 184 . 8 1 1 A 17 17 GLY HA3 H 17 3.481 3.974 -0.493 1
1 185 . 8 1 1 A 17 17 GLY C C 17 174.700 174.217 0.483 1
1 186 . 8 1 1 A 17 17 GLY CA C 17 44.998 45.135 -0.137 1
1 187 . 8 1 1 A 17 17 GLY N N 17 108.859 109.537 -0.678 1
1 188 . 8 1 1 A 18 18 THR H H 18 8.003 7.234 0.769 1
1 189 . 8 1 1 A 18 18 THR HA H 18 4.151 4.414 -0.263 1
1 194 . 8 1 1 A 18 18 THR C C 18 172.576 174.019 -1.443 1
1 195 . 8 1 1 A 18 18 THR CA C 18 63.144 62.356 0.788 1
1 196 . 8 1 1 A 18 18 THR CB C 18 69.888 69.507 0.381 1
1 198 . 8 1 1 A 18 18 THR N N 18 116.015 115.975 0.040 1
1 199 . 8 1 1 A 19 19 VAL H H 19 8.384 8.386 -0.002 1
1 200 . 8 1 1 A 19 19 VAL HA H 19 4.726 4.759 -0.033 1
1 208 . 8 1 1 A 19 19 VAL C C 19 175.823 174.043 1.780 1
1 209 . 8 1 1 A 19 19 VAL CA C 19 61.491 60.977 0.514 1
1 210 . 8 1 1 A 19 19 VAL CB C 19 33.757 33.964 -0.207 1
1 213 . 8 1 1 A 19 19 VAL N N 19 121.723 122.481 -0.758 1
1 214 . 8 1 1 A 20 20 LEU H H 20 8.948 9.324 -0.376 1
1 215 . 8 1 1 A 20 20 LEU HA H 20 4.784 5.138 -0.354 1
1 225 . 8 1 1 A 20 20 LEU C C 20 174.749 176.166 -1.417 1
1 226 . 8 1 1 A 20 20 LEU CA C 20 53.616 53.437 0.179 1
1 227 . 8 1 1 A 20 20 LEU CB C 20 45.062 44.601 0.461 1
1 231 . 8 1 1 A 20 20 LEU N N 20 129.673 130.559 -0.886 1
1 232 . 8 1 1 A 21 21 SER H H 21 9.246 8.856 0.390 1
1 233 . 8 1 1 A 21 21 SER HA H 21 5.207 5.316 -0.109 1
1 236 . 8 1 1 A 21 21 SER C C 21 176.047 176.199 -0.152 1
1 237 . 8 1 1 A 21 21 SER CA C 21 56.523 56.672 -0.149 1
1 238 . 8 1 1 A 21 21 SER CB C 21 66.369 66.114 0.255 1
1 239 . 8 1 1 A 21 21 SER N N 21 120.387 119.199 1.188 1
1 240 . 8 1 1 A 22 22 ARG H H 22 8.847 9.149 -0.302 1
1 241 . 8 1 1 A 22 22 ARG HA H 22 3.868 4.254 -0.386 1
1 248 . 8 1 1 A 22 22 ARG C C 22 178.388 176.923 1.465 1
1 249 . 8 1 1 A 22 22 ARG CA C 22 60.207 58.673 1.534 1
1 250 . 8 1 1 A 22 22 ARG CB C 22 29.118 29.947 -0.829 1
1 253 . 8 1 1 A 22 22 ARG N N 22 122.878 121.495 1.383 1
1 254 . 8 1 1 A 23 23 ALA H H 23 8.243 7.787 0.456 1
1 255 . 8 1 1 A 23 23 ALA HA H 23 4.175 4.304 -0.129 1
1 259 . 8 1 1 A 23 23 ALA C C 23 177.763 177.690 0.073 1
1 260 . 8 1 1 A 23 23 ALA CA C 23 54.000 52.485 1.515 1
1 261 . 8 1 1 A 23 23 ALA CB C 23 18.461 19.678 -1.217 1
1 262 . 8 1 1 A 23 23 ALA N N 23 121.050 121.583 -0.533 1
1 263 . 8 1 1 A 24 24 ASP H H 24 7.597 8.038 -0.441 1
1 264 . 8 1 1 A 24 24 ASP HA H 24 4.632 4.719 -0.087 1
1 267 . 8 1 1 A 24 24 ASP C C 24 176.608 176.534 0.074 1
1 268 . 8 1 1 A 24 24 ASP CA C 24 54.726 54.941 -0.215 1
1 269 . 8 1 1 A 24 24 ASP CB C 24 42.026 41.417 0.609 1
1 270 . 8 1 1 A 24 24 ASP N N 24 115.095 117.585 -2.490 1
1 271 . 8 1 1 A 25 25 LEU H H 25 7.311 7.385 -0.074 1
1 272 . 8 1 1 A 25 25 LEU HA H 25 4.402 4.474 -0.072 1
1 282 . 8 1 1 A 25 25 LEU C C 25 174.724 174.889 -0.165 1
1 283 . 8 1 1 A 25 25 LEU CA C 25 53.307 53.844 -0.537 1
1 284 . 8 1 1 A 25 25 LEU CB C 25 40.047 41.824 -1.777 1
1 288 . 8 1 1 A 25 25 LEU N N 25 119.781 122.681 -2.900 1
1 289 . 8 1 1 A 26 26 PRO HA H 26 4.745 4.608 0.137 1
1 296 . 8 1 1 A 26 26 PRO CA C 26 61.496 62.087 -0.591 1
1 297 . 8 1 1 A 26 26 PRO CB C 26 30.700 31.868 -1.168 1
1 300 . 8 1 1 A 27 27 PRO HA H 27 4.598 4.650 -0.052 1
1 307 . 8 1 1 A 27 27 PRO C C 27 178.036 176.849 1.187 1
1 308 . 8 1 1 A 27 27 PRO CA C 27 62.923 62.696 0.227 1
1 309 . 8 1 1 A 27 27 PRO CB C 27 32.758 33.091 -0.333 1
1 312 . 8 1 1 A 28 28 LEU H H 28 8.880 8.468 0.412 1
1 313 . 8 1 1 A 28 28 LEU HA H 28 4.177 4.389 -0.212 1
1 323 . 8 1 1 A 28 28 LEU C C 28 176.873 178.184 -1.311 1
1 324 . 8 1 1 A 28 28 LEU CA C 28 57.833 56.678 1.155 1
1 325 . 8 1 1 A 28 28 LEU CB C 28 41.291 41.425 -0.134 1
1 329 . 8 1 1 A 28 28 LEU N N 28 122.643 121.716 0.927 1
1 330 . 8 1 1 A 29 29 ASP H H 29 8.203 8.322 -0.119 1
1 331 . 8 1 1 A 29 29 ASP HA H 29 4.615 4.470 0.145 1
1 334 . 8 1 1 A 29 29 ASP C C 29 176.158 176.502 -0.344 1
1 335 . 8 1 1 A 29 29 ASP CA C 29 53.098 55.710 -2.612 1
1 336 . 8 1 1 A 29 29 ASP CB C 29 39.311 39.769 -0.458 1
1 337 . 8 1 1 A 29 29 ASP N N 29 115.741 117.104 -1.363 1
1 338 . 8 1 1 A 30 30 THR H H 30 7.516 7.216 0.300 1
1 339 . 8 1 1 A 30 30 THR HA H 30 3.599 4.093 -0.494 1
1 344 . 8 1 1 A 30 30 THR C C 30 174.366 173.492 0.874 1
1 345 . 8 1 1 A 30 30 THR CA C 30 65.815 63.254 2.561 1
1 346 . 8 1 1 A 30 30 THR CB C 30 69.989 68.241 1.748 1
1 348 . 8 1 1 A 30 30 THR N N 30 116.808 114.919 1.889 1
1 349 . 8 1 1 A 31 31 ARG H H 31 8.482 8.564 -0.082 1
1 350 . 8 1 1 A 31 31 ARG HA H 31 4.583 4.529 0.054 1
1 358 . 8 1 1 A 31 31 ARG CA C 31 55.399 56.190 -0.791 1
1 359 . 8 1 1 A 31 31 ARG CB C 31 32.296 32.314 -0.018 1
1 362 . 8 1 1 A 31 31 ARG N N 31 124.991 126.203 -1.212 1
1 364 . 8 1 1 A 32 32 ARG HA H 32 4.523 4.496 0.027 1
1 372 . 8 1 1 A 32 32 ARG C C 32 175.341 174.902 0.439 1
1 373 . 8 1 1 A 32 32 ARG CA C 32 54.759 54.739 0.020 1
1 374 . 8 1 1 A 32 32 ARG CB C 32 30.348 28.720 1.628 1
1 378 . 8 1 1 A 33 33 TRP H H 33 8.923 8.676 0.247 1
1 379 . 8 1 1 A 33 33 TRP HA H 33 4.292 4.678 -0.386 1
1 388 . 8 1 1 A 33 33 TRP C C 33 176.208 176.172 0.036 1
1 389 . 8 1 1 A 33 33 TRP CA C 33 56.923 57.812 -0.889 1
1 390 . 8 1 1 A 33 33 TRP CB C 33 28.492 29.327 -0.835 1
1 396 . 8 1 1 A 33 33 TRP N N 33 128.804 126.447 2.357 1
1 398 . 8 1 1 A 34 34 VAL H H 34 6.953 8.559 -1.606 1
1 399 . 8 1 1 A 34 34 VAL HA H 34 4.451 4.667 -0.216 1
1 407 . 8 1 1 A 34 34 VAL C C 34 177.217 176.934 0.283 1
1 408 . 8 1 1 A 34 34 VAL CA C 34 60.180 59.511 0.669 1
1 409 . 8 1 1 A 34 34 VAL CB C 34 32.686 34.825 -2.139 1
1 412 . 8 1 1 A 34 34 VAL N N 34 114.683 121.653 -6.970 1
1 413 . 8 1 1 A 35 35 ALA HA H 35 3.745 3.870 -0.125 1
1 417 . 8 1 1 A 35 35 ALA C C 35 180.114 179.749 0.365 1
1 418 . 8 1 1 A 35 35 ALA CA C 35 56.618 55.529 1.089 1
1 419 . 8 1 1 A 35 35 ALA CB C 35 18.334 18.044 0.290 1
1 420 . 8 1 1 A 36 36 SER H H 36 8.841 8.015 0.826 1
1 421 . 8 1 1 A 36 36 SER HA H 36 4.140 4.113 0.027 1
1 424 . 8 1 1 A 36 36 SER C C 36 177.291 176.749 0.542 1
1 425 . 8 1 1 A 36 36 SER CA C 36 61.250 61.562 -0.312 1
1 426 . 8 1 1 A 36 36 SER CB C 36 61.673 62.824 -1.151 1
1 427 . 8 1 1 A 36 36 SER N N 36 111.913 113.462 -1.549 1
1 428 . 8 1 1 A 37 37 ARG H H 37 7.183 7.877 -0.694 1
1 429 . 8 1 1 A 37 37 ARG HA H 37 4.349 4.198 0.151 1
1 436 . 8 1 1 A 37 37 ARG C C 37 177.816 178.779 -0.963 1
1 437 . 8 1 1 A 37 37 ARG CA C 37 58.944 58.856 0.088 1
1 438 . 8 1 1 A 37 37 ARG CB C 37 31.009 29.643 1.366 1
1 441 . 8 1 1 A 37 37 ARG N N 37 123.504 121.541 1.963 1
1 442 . 8 1 1 A 38 38 LYS H H 38 7.514 8.120 -0.606 1
1 443 . 8 1 1 A 38 38 LYS HA H 38 3.592 3.348 0.244 1
1 452 . 8 1 1 A 38 38 LYS C C 38 178.935 178.862 0.073 1
1 453 . 8 1 1 A 38 38 LYS CA C 38 59.846 59.045 0.801 1
1 454 . 8 1 1 A 38 38 LYS CB C 38 33.310 31.692 1.618 1
1 458 . 8 1 1 A 38 38 LYS N N 38 118.200 119.484 -1.284 1
1 459 . 8 1 1 A 39 39 ALA H H 39 8.131 8.243 -0.112 1
1 460 . 8 1 1 A 39 39 ALA HA H 39 3.865 4.072 -0.207 1
1 464 . 8 1 1 A 39 39 ALA C C 39 178.995 179.796 -0.801 1
1 465 . 8 1 1 A 39 39 ALA CA C 39 55.093 55.100 -0.007 1
1 466 . 8 1 1 A 39 39 ALA CB C 39 18.124 17.766 0.358 1
1 467 . 8 1 1 A 39 39 ALA N N 39 117.547 122.298 -4.751 1
1 468 . 8 1 1 A 40 40 ALA H H 40 7.375 7.774 -0.399 1
1 469 . 8 1 1 A 40 40 ALA HA H 40 4.134 4.154 -0.020 1
1 473 . 8 1 1 A 40 40 ALA C C 40 179.512 180.280 -0.768 1
1 474 . 8 1 1 A 40 40 ALA CA C 40 55.506 55.367 0.139 1
1 475 . 8 1 1 A 40 40 ALA CB C 40 18.473 18.153 0.320 1
1 476 . 8 1 1 A 40 40 ALA N N 40 119.346 120.317 -0.971 1
1 477 . 8 1 1 A 41 41 VAL H H 41 7.382 7.795 -0.413 1
1 478 . 8 1 1 A 41 41 VAL HA H 41 3.642 3.767 -0.125 1
1 486 . 8 1 1 A 41 41 VAL C C 41 177.423 178.159 -0.736 1
1 487 . 8 1 1 A 41 41 VAL CA C 41 67.279 67.081 0.198 1
1 488 . 8 1 1 A 41 41 VAL CB C 41 32.149 31.854 0.295 1
1 491 . 8 1 1 A 41 41 VAL N N 41 116.434 118.683 -2.249 1
1 492 . 8 1 1 A 42 42 VAL H H 42 8.332 8.331 0.001 1
1 493 . 8 1 1 A 42 42 VAL HA H 42 3.723 3.899 -0.176 1
1 501 . 8 1 1 A 42 42 VAL C C 42 178.381 178.074 0.307 1
1 502 . 8 1 1 A 42 42 VAL CA C 42 67.698 65.391 2.307 1
1 503 . 8 1 1 A 42 42 VAL CB C 42 32.170 31.137 1.033 1
1 506 . 8 1 1 A 42 42 VAL N N 42 118.061 120.276 -2.215 1
1 507 . 8 1 1 A 43 43 LYS H H 43 8.973 8.242 0.731 1
1 508 . 8 1 1 A 43 43 LYS HA H 43 3.977 4.126 -0.149 1
1 517 . 8 1 1 A 43 43 LYS C C 43 177.830 179.353 -1.523 1
1 518 . 8 1 1 A 43 43 LYS CA C 43 60.343 59.542 0.801 1
1 519 . 8 1 1 A 43 43 LYS CB C 43 32.863 32.173 0.690 1
1 523 . 8 1 1 A 43 43 LYS N N 43 118.026 122.686 -4.660 1
1 524 . 8 1 1 A 44 44 ALA H H 44 7.959 7.892 0.067 1
1 525 . 8 1 1 A 44 44 ALA HA H 44 3.968 4.098 -0.130 1
1 529 . 8 1 1 A 44 44 ALA C C 44 178.921 179.792 -0.871 1
1 530 . 8 1 1 A 44 44 ALA CA C 44 55.324 55.304 0.020 1
1 531 . 8 1 1 A 44 44 ALA CB C 44 19.816 18.520 1.296 1
1 532 . 8 1 1 A 44 44 ALA N N 44 119.893 122.715 -2.822 1
1 533 . 8 1 1 A 45 45 VAL H H 45 7.789 7.776 0.013 1
1 534 . 8 1 1 A 45 45 VAL HA H 45 4.494 3.988 0.506 1
1 542 . 8 1 1 A 45 45 VAL C C 45 180.590 178.306 2.284 1
1 543 . 8 1 1 A 45 45 VAL CA C 45 64.383 66.909 -2.526 1
1 544 . 8 1 1 A 45 45 VAL CB C 45 32.456 31.325 1.131 1
1 547 . 8 1 1 A 45 45 VAL N N 45 118.569 117.901 0.668 1
1 548 . 8 1 1 A 46 46 ILE H H 46 8.945 8.156 0.789 1
1 549 . 8 1 1 A 46 46 ILE HA H 46 3.689 3.786 -0.097 1
1 559 . 8 1 1 A 46 46 ILE C C 46 178.437 177.419 1.018 1
1 560 . 8 1 1 A 46 46 ILE CA C 46 65.391 64.211 1.180 1
1 561 . 8 1 1 A 46 46 ILE CB C 46 38.182 37.700 0.482 1
1 565 . 8 1 1 A 46 46 ILE N N 46 121.331 119.391 1.940 1
1 566 . 8 1 1 A 47 47 HIS H H 47 8.030 7.457 0.573 1
1 567 . 8 1 1 A 47 47 HIS HA H 47 4.663 4.694 -0.031 1
1 572 . 8 1 1 A 47 47 HIS C C 47 175.308 175.068 0.240 1
1 573 . 8 1 1 A 47 47 HIS CA C 47 56.736 55.909 0.827 1
1 574 . 8 1 1 A 47 47 HIS CB C 47 29.482 30.047 -0.565 1
1 577 . 8 1 1 A 47 47 HIS N N 47 113.700 117.702 -4.002 1
1 578 . 8 1 1 A 48 48 GLY H H 48 7.543 7.715 -0.172 1
1 579 . 8 1 1 A 48 48 GLY HA2 H 48 4.026 3.908 0.118 1
1 580 . 8 1 1 A 48 48 GLY HA3 H 48 3.904 3.918 -0.014 1
1 581 . 8 1 1 A 48 48 GLY C C 48 175.172 175.188 -0.016 1
1 582 . 8 1 1 A 48 48 GLY CA C 48 46.740 46.426 0.314 1
1 583 . 8 1 1 A 48 48 GLY N N 48 106.113 107.997 -1.884 1
1 584 . 8 1 1 A 49 49 LEU H H 49 8.803 7.952 0.851 1
1 585 . 8 1 1 A 49 49 LEU HA H 49 4.090 4.143 -0.053 1
1 595 . 8 1 1 A 49 49 LEU C C 49 176.111 176.334 -0.223 1
1 596 . 8 1 1 A 49 49 LEU CA C 49 57.575 57.466 0.109 1
1 597 . 8 1 1 A 49 49 LEU CB C 49 42.969 42.819 0.150 1
1 601 . 8 1 1 A 49 49 LEU N N 49 122.636 122.031 0.605 1
1 602 . 8 1 1 A 50 50 ILE H H 50 7.257 7.369 -0.112 1
1 603 . 8 1 1 A 50 50 ILE HA H 50 4.689 4.770 -0.081 1
1 613 . 8 1 1 A 50 50 ILE C C 50 174.994 174.437 0.557 1
1 614 . 8 1 1 A 50 50 ILE CA C 50 58.262 58.760 -0.498 1
1 615 . 8 1 1 A 50 50 ILE CB C 50 41.641 41.550 0.091 1
1 619 . 8 1 1 A 50 50 ILE N N 50 107.650 114.468 -6.818 1
1 620 . 8 1 1 A 51 51 THR H H 51 8.677 8.421 0.256 1
1 621 . 8 1 1 A 51 51 THR HA H 51 4.466 4.692 -0.226 1
1 627 . 8 1 1 A 51 51 THR C C 51 175.227 175.190 0.037 1
1 628 . 8 1 1 A 51 51 THR CA C 51 60.728 60.351 0.377 1
1 629 . 8 1 1 A 51 51 THR CB C 51 71.216 70.450 0.766 1
1 631 . 8 1 1 A 51 51 THR N N 51 111.798 117.019 -5.221 1
1 632 . 8 1 1 A 52 52 GLU H H 52 9.034 9.001 0.033 1
1 633 . 8 1 1 A 52 52 GLU HA H 52 3.507 3.560 -0.053 1
1 638 . 8 1 1 A 52 52 GLU C C 52 177.287 178.021 -0.734 1
1 639 . 8 1 1 A 52 52 GLU CA C 52 60.515 59.745 0.770 1
1 640 . 8 1 1 A 52 52 GLU CB C 52 29.418 29.129 0.289 1
1 642 . 8 1 1 A 52 52 GLU N N 52 122.067 126.047 -3.980 1
1 643 . 8 1 1 A 53 53 ARG H H 53 8.213 7.244 0.969 1
1 644 . 8 1 1 A 53 53 ARG HA H 53 3.740 3.977 -0.237 1
1 652 . 8 1 1 A 53 53 ARG C C 53 177.698 178.693 -0.995 1
1 653 . 8 1 1 A 53 53 ARG CA C 53 58.635 59.537 -0.902 1
1 654 . 8 1 1 A 53 53 ARG CB C 53 30.257 30.003 0.254 1
1 658 . 8 1 1 A 53 53 ARG N N 53 116.853 118.355 -1.502 1
1 660 . 8 1 1 A 54 54 GLU H H 54 7.747 8.452 -0.705 1
1 661 . 8 1 1 A 54 54 GLU HA H 54 3.978 3.950 0.028 1
1 666 . 8 1 1 A 54 54 GLU C C 54 178.915 178.135 0.780 1
1 667 . 8 1 1 A 54 54 GLU CA C 54 59.312 59.896 -0.584 1
1 668 . 8 1 1 A 54 54 GLU CB C 54 29.678 29.049 0.629 1
1 670 . 8 1 1 A 54 54 GLU N N 54 118.040 118.795 -0.755 1
1 671 . 8 1 1 A 55 55 ALA H H 55 7.932 7.593 0.339 1
1 672 . 8 1 1 A 55 55 ALA HA H 55 3.694 4.144 -0.450 1
1 676 . 8 1 1 A 55 55 ALA C C 55 178.383 180.102 -1.719 1
1 677 . 8 1 1 A 55 55 ALA CA C 55 55.871 55.157 0.714 1
1 678 . 8 1 1 A 55 55 ALA CB C 55 17.664 18.212 -0.548 1
1 679 . 8 1 1 A 55 55 ALA N N 55 122.121 121.947 0.174 1
1 680 . 8 1 1 A 56 56 LEU H H 56 8.110 7.970 0.140 1
1 681 . 8 1 1 A 56 56 LEU HA H 56 3.605 3.840 -0.235 1
1 691 . 8 1 1 A 56 56 LEU C C 56 180.273 179.168 1.105 1
1 692 . 8 1 1 A 56 56 LEU CA C 56 58.167 57.736 0.431 1
1 693 . 8 1 1 A 56 56 LEU CB C 56 39.563 40.950 -1.387 1
1 697 . 8 1 1 A 56 56 LEU N N 56 114.908 118.114 -3.206 1
1 698 . 8 1 1 A 57 57 ASP H H 57 8.080 8.105 -0.025 1
1 699 . 8 1 1 A 57 57 ASP HA H 57 4.353 4.330 0.023 1
1 702 . 8 1 1 A 57 57 ASP C C 57 179.121 178.740 0.381 1
1 703 . 8 1 1 A 57 57 ASP CA C 57 56.644 56.721 -0.077 1
1 704 . 8 1 1 A 57 57 ASP CB C 57 40.909 40.748 0.161 1
1 705 . 8 1 1 A 57 57 ASP N N 57 117.019 119.962 -2.943 1
1 706 . 8 1 1 A 58 58 ARG H H 58 8.584 8.652 -0.068 1
1 707 . 8 1 1 A 58 58 ARG HA H 58 3.728 3.987 -0.259 1
1 715 . 8 1 1 A 58 58 ARG C C 58 177.362 176.635 0.727 1
1 716 . 8 1 1 A 58 58 ARG CA C 58 59.141 58.527 0.614 1
1 717 . 8 1 1 A 58 58 ARG CB C 58 30.462 29.944 0.518 1
1 720 . 8 1 1 A 58 58 ARG N N 58 119.926 117.673 2.253 1
1 722 . 8 1 1 A 59 59 TYR H H 59 7.133 7.466 -0.333 1
1 723 . 8 1 1 A 59 59 TYR HA H 59 5.018 4.764 0.254 1
1 730 . 8 1 1 A 59 59 TYR C C 59 173.865 174.790 -0.925 1
1 731 . 8 1 1 A 59 59 TYR CA C 59 57.348 57.872 -0.524 1
1 732 . 8 1 1 A 59 59 TYR CB C 59 38.052 39.273 -1.221 1
1 737 . 8 1 1 A 59 59 TYR N N 59 111.796 118.225 -6.429 1
1 738 . 8 1 1 A 60 60 SER H H 60 7.542 7.743 -0.201 1
1 739 . 8 1 1 A 60 60 SER HA H 60 4.082 4.209 -0.127 1
1 742 . 8 1 1 A 60 60 SER C C 60 176.402 173.297 3.105 1
1 743 . 8 1 1 A 60 60 SER CA C 60 58.482 58.967 -0.485 1
1 744 . 8 1 1 A 60 60 SER CB C 60 61.229 61.360 -0.131 1
1 745 . 8 1 1 A 60 60 SER N N 60 114.624 112.411 2.213 1
1 746 . 8 1 1 A 61 61 LEU H H 61 8.228 8.006 0.222 1
1 747 . 8 1 1 A 61 61 LEU HA H 61 4.583 4.638 -0.055 1
1 757 . 8 1 1 A 61 61 LEU C C 61 176.463 176.376 0.087 1
1 758 . 8 1 1 A 61 61 LEU CA C 61 52.478 53.393 -0.915 1
1 759 . 8 1 1 A 61 61 LEU CB C 61 45.873 43.699 2.174 1
1 763 . 8 1 1 A 61 61 LEU N N 61 119.424 121.343 -1.919 1
1 764 . 8 1 1 A 62 62 SER H H 62 8.376 8.870 -0.494 1
1 765 . 8 1 1 A 62 62 SER HA H 62 4.555 4.639 -0.084 1
1 768 . 8 1 1 A 62 62 SER C C 62 175.088 175.687 -0.599 1
1 769 . 8 1 1 A 62 62 SER CA C 62 56.123 56.968 -0.845 1
1 770 . 8 1 1 A 62 62 SER CB C 62 65.560 65.132 0.428 1
1 771 . 8 1 1 A 62 62 SER N N 62 115.890 118.610 -2.720 1
1 772 . 8 1 1 A 63 63 GLU H H 63 9.204 9.123 0.081 1
1 773 . 8 1 1 A 63 63 GLU HA H 63 3.806 3.881 -0.075 1
1 778 . 8 1 1 A 63 63 GLU C C 63 179.412 178.181 1.231 1
1 779 . 8 1 1 A 63 63 GLU CA C 63 60.338 59.541 0.797 1
1 780 . 8 1 1 A 63 63 GLU CB C 63 29.354 29.356 -0.002 1
1 782 . 8 1 1 A 63 63 GLU N N 63 122.263 124.054 -1.791 1
1 783 . 8 1 1 A 64 64 GLU H H 64 8.859 8.348 0.511 1
1 784 . 8 1 1 A 64 64 GLU HA H 64 3.969 4.034 -0.065 1
1 789 . 8 1 1 A 64 64 GLU C C 64 178.700 178.752 -0.052 1
1 790 . 8 1 1 A 64 64 GLU CA C 64 59.822 59.419 0.403 1
1 791 . 8 1 1 A 64 64 GLU CB C 64 29.210 29.056 0.154 1
1 793 . 8 1 1 A 64 64 GLU N N 64 119.056 117.657 1.399 1
1 794 . 8 1 1 A 65 65 GLU H H 65 7.864 8.125 -0.261 1
1 795 . 8 1 1 A 65 65 GLU HA H 65 3.960 3.960 0.000 1
1 800 . 8 1 1 A 65 65 GLU C C 65 177.783 178.315 -0.532 1
1 801 . 8 1 1 A 65 65 GLU CA C 65 58.817 59.341 -0.524 1
1 802 . 8 1 1 A 65 65 GLU CB C 65 29.452 29.137 0.315 1
1 804 . 8 1 1 A 65 65 GLU N N 65 121.783 120.048 1.735 1
1 805 . 8 1 1 A 66 66 PHE H H 66 7.918 7.715 0.203 1
1 806 . 8 1 1 A 66 66 PHE HA H 66 3.294 3.594 -0.300 1
1 814 . 8 1 1 A 66 66 PHE C C 66 177.021 177.755 -0.734 1
1 815 . 8 1 1 A 66 66 PHE CA C 66 61.197 61.223 -0.026 1
1 816 . 8 1 1 A 66 66 PHE CB C 66 39.279 38.964 0.315 1
1 820 . 8 1 1 A 66 66 PHE N N 66 117.902 120.073 -2.171 1
1 821 . 8 1 1 A 67 67 ALA H H 67 8.011 8.119 -0.108 1
1 822 . 8 1 1 A 67 67 ALA HA H 67 3.839 4.025 -0.186 1
1 826 . 8 1 1 A 67 67 ALA C C 67 181.069 179.628 1.441 1
1 827 . 8 1 1 A 67 67 ALA CA C 67 55.296 55.307 -0.011 1
1 828 . 8 1 1 A 67 67 ALA CB C 67 17.648 17.985 -0.337 1
1 829 . 8 1 1 A 67 67 ALA N N 67 119.951 121.231 -1.280 1
1 830 . 8 1 1 A 68 68 LEU H H 68 7.431 8.354 -0.923 1
1 831 . 8 1 1 A 68 68 LEU HA H 68 4.162 3.959 0.203 1
1 841 . 8 1 1 A 68 68 LEU C C 68 180.631 179.405 1.226 1
1 842 . 8 1 1 A 68 68 LEU CA C 68 57.621 57.919 -0.298 1
1 843 . 8 1 1 A 68 68 LEU CB C 68 41.083 42.451 -1.368 1
1 847 . 8 1 1 A 68 68 LEU N N 68 119.888 118.348 1.540 1
1 848 . 8 1 1 A 69 69 TRP H H 69 8.288 8.287 0.001 1
1 849 . 8 1 1 A 69 69 TRP HA H 69 4.341 4.278 0.063 1
1 858 . 8 1 1 A 69 69 TRP C C 69 179.178 179.467 -0.289 1
1 859 . 8 1 1 A 69 69 TRP CA C 69 59.228 60.024 -0.796 1
1 860 . 8 1 1 A 69 69 TRP CB C 69 28.387 28.717 -0.330 1
1 866 . 8 1 1 A 69 69 TRP N N 69 122.616 118.744 3.872 1
1 868 . 8 1 1 A 70 70 ARG H H 70 8.291 8.174 0.117 1
1 869 . 8 1 1 A 70 70 ARG HA H 70 3.743 4.067 -0.324 1
1 877 . 8 1 1 A 70 70 ARG C C 70 178.811 177.937 0.874 1
1 878 . 8 1 1 A 70 70 ARG CA C 70 59.614 58.392 1.222 1
1 879 . 8 1 1 A 70 70 ARG CB C 70 30.171 29.451 0.720 1
1 882 . 8 1 1 A 70 70 ARG N N 70 117.864 118.341 -0.477 1
1 884 . 8 1 1 A 71 71 SER H H 71 8.000 7.727 0.273 1
1 885 . 8 1 1 A 71 71 SER HA H 71 4.212 4.364 -0.152 1
1 888 . 8 1 1 A 71 71 SER C C 71 176.074 175.515 0.559 1
1 889 . 8 1 1 A 71 71 SER CA C 71 61.074 61.219 -0.145 1
1 890 . 8 1 1 A 71 71 SER CB C 71 62.891 63.402 -0.511 1
1 891 . 8 1 1 A 71 71 SER N N 71 114.582 117.253 -2.671 1
1 892 . 8 1 1 A 72 72 ALA H H 72 7.816 7.997 -0.181 1
1 893 . 8 1 1 A 72 72 ALA HA H 72 4.230 4.176 0.054 1
1 897 . 8 1 1 A 72 72 ALA C C 72 179.631 178.886 0.745 1
1 898 . 8 1 1 A 72 72 ALA CA C 72 54.245 54.492 -0.247 1
1 899 . 8 1 1 A 72 72 ALA CB C 72 18.687 18.771 -0.084 1
1 900 . 8 1 1 A 72 72 ALA N N 72 124.141 123.554 0.587 1
1 901 . 8 1 1 A 73 73 VAL H H 73 7.728 7.598 0.130 1
1 902 . 8 1 1 A 73 73 VAL HA H 73 3.850 3.902 -0.052 1
1 910 . 8 1 1 A 73 73 VAL C C 73 177.286 177.905 -0.619 1
1 911 . 8 1 1 A 73 73 VAL CA C 73 64.163 64.809 -0.646 1
1 912 . 8 1 1 A 73 73 VAL CB C 73 32.466 32.005 0.461 1
1 915 . 8 1 1 A 73 73 VAL N N 73 117.289 116.965 0.324 1
1 916 . 8 1 1 A 74 74 ALA H H 74 7.960 8.043 -0.083 1
1 917 . 8 1 1 A 74 74 ALA HA H 74 4.195 4.190 0.005 1
1 921 . 8 1 1 A 74 74 ALA C C 74 178.318 179.434 -1.116 1
1 922 . 8 1 1 A 74 74 ALA CA C 74 53.559 55.286 -1.727 1
1 923 . 8 1 1 A 74 74 ALA CB C 74 18.612 18.330 0.282 1
1 924 . 8 1 1 A 74 74 ALA N N 74 123.977 121.817 2.160 1
1 925 . 8 1 1 A 75 75 ALA H H 75 7.889 7.807 0.082 1
1 926 . 8 1 1 A 75 75 ALA HA H 75 4.214 4.419 -0.205 1
1 930 . 8 1 1 A 75 75 ALA C C 75 178.233 177.708 0.525 1
1 931 . 8 1 1 A 75 75 ALA CA C 75 53.242 52.052 1.190 1
1 932 . 8 1 1 A 75 75 ALA CB C 75 18.812 19.111 -0.299 1
1 933 . 8 1 1 A 75 75 ALA N N 75 120.956 118.169 2.787 1
1 934 . 8 1 1 A 76 76 HIS H H 76 8.057 7.685 0.372 1
1 935 . 8 1 1 A 76 76 HIS HA H 76 4.585 4.644 -0.059 1
1 939 . 8 1 1 A 76 76 HIS C C 76 176.217 175.174 1.043 1
1 940 . 8 1 1 A 76 76 HIS CA C 76 56.644 56.359 0.285 1
1 941 . 8 1 1 A 76 76 HIS CB C 76 30.282 29.680 0.602 1
1 943 . 8 1 1 A 76 76 HIS N N 76 117.302 119.488 -2.186 1
1 944 . 8 1 1 A 77 77 GLY H H 77 8.229 8.533 -0.304 1
1 945 . 8 1 1 A 77 77 GLY HA2 H 77 3.951 3.850 0.101 1
1 946 . 8 1 1 A 77 77 GLY HA3 H 77 3.951 3.998 -0.047 1
1 947 . 8 1 1 A 77 77 GLY C C 77 174.415 174.448 -0.033 1
1 948 . 8 1 1 A 77 77 GLY CA C 77 45.560 45.533 0.027 1
1 949 . 8 1 1 A 77 77 GLY N N 77 109.118 113.012 -3.894 1
1 950 . 8 1 1 A 78 78 GLU H H 78 8.335 8.517 -0.182 1
1 951 . 8 1 1 A 78 78 GLU HA H 78 4.210 4.174 0.036 1
1 956 . 8 1 1 A 78 78 GLU C C 78 177.052 178.411 -1.359 1
1 957 . 8 1 1 A 78 78 GLU CA C 78 56.836 58.110 -1.274 1
1 958 . 8 1 1 A 78 78 GLU CB C 78 30.136 28.758 1.378 1
1 960 . 8 1 1 A 78 78 GLU N N 78 120.947 121.797 -0.850 1
1 961 . 8 1 1 A 79 79 LYS H H 79 8.299 7.690 0.609 1
1 962 . 8 1 1 A 79 79 LYS HA H 79 4.205 4.111 0.094 1
1 971 . 8 1 1 A 79 79 LYS C C 79 176.656 177.326 -0.670 1
1 972 . 8 1 1 A 79 79 LYS CA C 79 57.057 58.596 -1.539 1
1 973 . 8 1 1 A 79 79 LYS CB C 79 32.811 32.818 -0.007 1
1 977 . 8 1 1 A 79 79 LYS N N 79 121.638 118.795 2.843 1
1 978 . 8 1 1 A 80 80 ALA H H 80 8.142 7.519 0.623 1
1 979 . 8 1 1 A 80 80 ALA HA H 80 4.245 4.515 -0.270 1
1 983 . 8 1 1 A 80 80 ALA C C 80 177.868 175.763 2.105 1
1 984 . 8 1 1 A 80 80 ALA CA C 80 52.706 52.093 0.613 1
1 985 . 8 1 1 A 80 80 ALA CB C 80 19.117 18.854 0.263 1
1 986 . 8 1 1 A 80 80 ALA N N 80 123.770 116.168 7.602 1
1 987 . 8 1 1 A 81 81 LEU H H 81 8.040 8.765 -0.725 1
1 988 . 8 1 1 A 81 81 LEU HA H 81 4.245 5.046 -0.801 1
1 998 . 8 1 1 A 81 81 LEU C C 81 177.434 175.319 2.115 1
1 999 . 8 1 1 A 81 81 LEU CA C 81 55.673 54.162 1.511 1
1 1000 . 8 1 1 A 81 81 LEU CB C 81 42.160 43.835 -1.675 1
1 1004 . 8 1 1 A 81 81 LEU N N 81 120.893 123.931 -3.038 1
1 1005 . 8 1 1 A 82 82 LYS H H 82 8.178 8.544 -0.366 1
1 1006 . 8 1 1 A 82 82 LYS HA H 82 4.283 4.375 -0.092 1
1 1015 . 8 1 1 A 82 82 LYS C C 82 176.810 177.675 -0.865 1
1 1016 . 8 1 1 A 82 82 LYS CA C 82 56.715 56.035 0.680 1
1 1017 . 8 1 1 A 82 82 LYS CB C 82 32.846 33.823 -0.977 1
1 1021 . 8 1 1 A 82 82 LYS N N 82 121.957 126.362 -4.405 1
1 1022 . 8 1 1 A 83 83 VAL H H 83 8.123 8.544 -0.421 1
1 1023 . 8 1 1 A 83 83 VAL HA H 83 4.093 3.800 0.293 1
1 1031 . 8 1 1 A 83 83 VAL C C 83 176.604 177.631 -1.027 1
1 1032 . 8 1 1 A 83 83 VAL CA C 83 62.964 65.561 -2.597 1
1 1033 . 8 1 1 A 83 83 VAL CB C 83 32.742 31.769 0.973 1
1 1036 . 8 1 1 A 83 83 VAL N N 83 121.150 127.146 -5.996 1
1 1037 . 8 1 1 A 84 84 THR H H 84 8.162 8.234 -0.072 1
1 1038 . 8 1 1 A 84 84 THR HA H 84 4.276 3.830 0.446 1
1 1043 . 8 1 1 A 84 84 THR C C 84 174.773 176.824 -2.051 1
1 1044 . 8 1 1 A 84 84 THR CA C 84 62.558 66.675 -4.117 1
1 1045 . 8 1 1 A 84 84 THR CB C 84 69.726 67.991 1.735 1
1 1047 . 8 1 1 A 84 84 THR N N 84 117.587 117.157 0.430 1
1 1048 . 8 1 1 A 85 85 MET H H 85 8.353 8.042 0.311 1
1 1049 . 8 1 1 A 85 85 MET HA H 85 4.448 3.850 0.598 1
1 1054 . 8 1 1 A 85 85 MET C C 85 176.518 177.593 -1.075 1
1 1055 . 8 1 1 A 85 85 MET CA C 85 56.074 58.375 -2.301 1
1 1056 . 8 1 1 A 85 85 MET CB C 85 32.837 32.693 0.144 1
1 1058 . 8 1 1 A 85 85 MET N N 85 122.707 118.193 4.514 1
1 1059 . 8 1 1 A 86 86 ILE H H 86 8.113 8.086 0.027 1
1 1060 . 8 1 1 A 86 86 ILE HA H 86 4.061 3.723 0.338 1
1 1070 . 8 1 1 A 86 86 ILE C C 86 176.712 177.875 -1.163 1
1 1071 . 8 1 1 A 86 86 ILE CA C 86 62.006 65.165 -3.159 1
1 1072 . 8 1 1 A 86 86 ILE CB C 86 38.402 37.829 0.573 1
1 1076 . 8 1 1 A 86 86 ILE N N 86 121.834 119.407 2.427 1
1 1077 . 8 1 1 A 87 87 GLN H H 87 8.328 7.806 0.522 1
1 1078 . 8 1 1 A 87 87 GLN HA H 87 4.190 3.996 0.194 1
1 1085 . 8 1 1 A 87 87 GLN C C 87 176.617 178.255 -1.638 1
1 1086 . 8 1 1 A 87 87 GLN CA C 87 56.798 59.051 -2.253 1
1 1087 . 8 1 1 A 87 87 GLN CB C 87 29.044 28.244 0.800 1
1 1089 . 8 1 1 A 87 87 GLN N N 87 123.529 120.059 3.470 1
1 1091 . 8 1 1 A 88 88 LYS H H 88 8.232 7.663 0.569 1
1 1092 . 8 1 1 A 88 88 LYS HA H 88 4.133 4.086 0.047 1
1 1101 . 8 1 1 A 88 88 LYS C C 88 176.983 176.769 0.214 1
1 1102 . 8 1 1 A 88 88 LYS CA C 88 57.289 57.838 -0.549 1
1 1103 . 8 1 1 A 88 88 LYS CB C 88 32.806 31.899 0.907 1
1 1107 . 8 1 1 A 88 88 LYS N N 88 121.677 118.045 3.632 1
1 1108 . 8 1 1 A 89 89 TYR H H 89 8.086 7.559 0.527 1
1 1109 . 8 1 1 A 89 89 TYR HA H 89 4.492 4.591 -0.099 1
1 1116 . 8 1 1 A 89 89 TYR C C 89 176.250 176.802 -0.552 1
1 1117 . 8 1 1 A 89 89 TYR CA C 89 58.546 58.231 0.315 1
1 1118 . 8 1 1 A 89 89 TYR CB C 89 38.410 39.995 -1.585 1
1 1123 . 8 1 1 A 89 89 TYR N N 89 119.993 117.052 2.941 1
1 1124 . 8 1 1 A 90 90 ARG H H 90 8.127 7.466 0.661 1
1 1125 . 8 1 1 A 90 90 ARG HA H 90 4.119 4.555 -0.436 1
1 1132 . 8 1 1 A 90 90 ARG C C 90 176.628 177.732 -1.104 1
1 1133 . 8 1 1 A 90 90 ARG CA C 90 57.085 57.096 -0.011 1
1 1134 . 8 1 1 A 90 90 ARG CB C 90 30.568 31.678 -1.110 1
1 1137 . 8 1 1 A 90 90 ARG N N 90 121.679 119.563 2.116 1
1 1138 . 8 1 1 A 91 91 GLN H H 91 8.232 8.258 -0.026 1
1 1139 . 8 1 1 A 91 91 GLN HA H 91 4.179 4.772 -0.593 1
1 1146 . 8 1 1 A 91 91 GLN C C 91 176.491 176.331 0.160 1
1 1147 . 8 1 1 A 91 91 GLN CA C 91 56.800 54.995 1.805 1
1 1148 . 8 1 1 A 91 91 GLN CB C 91 29.129 29.244 -0.115 1
1 1150 . 8 1 1 A 91 91 GLN N N 91 120.420 115.868 4.552 1
1 1152 . 8 1 1 A 92 92 LEU H H 92 8.118 7.852 0.266 1
1 1153 . 8 1 1 A 92 92 LEU HA H 92 4.269 4.003 0.266 1
1 1162 . 8 1 1 A 92 92 LEU C C 92 177.632 177.224 0.408 1
1 1163 . 8 1 1 A 92 92 LEU CA C 92 55.419 57.892 -2.473 1
1 1164 . 8 1 1 A 92 92 LEU CB C 92 42.238 41.864 0.374 1
1 1167 . 8 1 1 A 92 92 LEU N N 92 122.670 119.815 2.855 1
1 1168 . 8 1 1 A 93 93 HIS H H 93 8.049 8.161 -0.112 1
1 1169 . 8 1 1 A 93 93 HIS HA H 93 4.228 4.293 -0.065 1
1 1172 . 8 1 1 A 93 93 HIS C C 93 177.608 174.828 2.780 1
1 1173 . 8 1 1 A 93 93 HIS CA C 93 55.512 56.823 -1.311 1
1 1174 . 8 1 1 A 93 93 HIS CB C 93 42.238 28.101 14.137 1
1 1175 . 8 1 1 A 93 93 HIS N N 93 121.742 118.801 2.941 1
1 1176 . 8 1 1 A 94 94 HIS H H 94 8.153 8.047 0.106 1
1 1177 . 8 1 1 A 94 94 HIS HA H 94 4.141 5.091 -0.950 1
1 1180 . 8 1 1 A 94 94 HIS CA C 94 56.804 54.388 2.416 1
1 1181 . 8 1 1 A 94 94 HIS CB C 94 30.254 32.443 -2.189 1
1 1182 . 8 1 1 A 94 94 HIS N N 94 120.504 121.203 -0.699 1
1 1 . 9 1 1 A 2 2 TYR HA H 2 4.593 4.957 -0.364 1
1 8 . 9 1 1 A 2 2 TYR C C 2 174.805 174.774 0.031 1
1 9 . 9 1 1 A 2 2 TYR CA C 2 57.884 57.098 0.786 1
1 10 . 9 1 1 A 2 2 TYR CB C 2 38.790 37.934 0.856 1
1 15 . 9 1 1 A 3 3 LEU H H 3 8.189 8.506 -0.317 1
1 16 . 9 1 1 A 3 3 LEU HA H 3 4.268 5.014 -0.746 1
1 25 . 9 1 1 A 3 3 LEU C C 3 176.110 177.111 -1.001 1
1 26 . 9 1 1 A 3 3 LEU CA C 3 54.574 53.375 1.199 1
1 27 . 9 1 1 A 3 3 LEU CB C 3 42.796 45.510 -2.714 1
1 30 . 9 1 1 A 3 3 LEU N N 3 126.201 125.018 1.183 1
1 31 . 9 1 1 A 4 4 LYS H H 4 8.132 8.887 -0.755 1
1 32 . 9 1 1 A 4 4 LYS HA H 4 4.336 4.120 0.216 1
1 35 . 9 1 1 A 4 4 LYS C C 4 175.828 175.840 -0.012 1
1 36 . 9 1 1 A 4 4 LYS CA C 4 56.186 58.741 -2.555 1
1 37 . 9 1 1 A 4 4 LYS CB C 4 33.084 32.033 1.051 1
1 38 . 9 1 1 A 4 4 LYS N N 4 123.332 122.514 0.818 1
1 39 . 9 1 1 A 5 5 ARG H H 5 8.537 7.547 0.990 1
1 40 . 9 1 1 A 5 5 ARG HA H 5 4.327 4.587 -0.260 1
1 47 . 9 1 1 A 5 5 ARG C C 5 176.158 175.151 1.007 1
1 48 . 9 1 1 A 5 5 ARG CA C 5 56.076 55.067 1.009 1
1 49 . 9 1 1 A 5 5 ARG CB C 5 31.028 31.178 -0.150 1
1 52 . 9 1 1 A 5 5 ARG N N 5 124.828 121.205 3.623 1
1 53 . 9 1 1 A 6 6 VAL H H 6 8.344 8.607 -0.263 1
1 54 . 9 1 1 A 6 6 VAL HA H 6 4.154 4.052 0.102 1
1 62 . 9 1 1 A 6 6 VAL C C 6 175.662 176.537 -0.875 1
1 63 . 9 1 1 A 6 6 VAL CA C 6 61.973 62.353 -0.380 1
1 64 . 9 1 1 A 6 6 VAL CB C 6 32.937 32.430 0.507 1
1 66 . 9 1 1 A 6 6 VAL N N 6 122.153 127.105 -4.952 1
1 67 . 9 1 1 A 7 7 ASP H H 7 8.469 9.045 -0.576 1
1 68 . 9 1 1 A 7 7 ASP HA H 7 4.681 4.872 -0.191 1
1 71 . 9 1 1 A 7 7 ASP C C 7 176.217 176.079 0.138 1
1 72 . 9 1 1 A 7 7 ASP CA C 7 54.202 53.496 0.706 1
1 73 . 9 1 1 A 7 7 ASP CB C 7 41.583 41.723 -0.140 1
1 74 . 9 1 1 A 7 7 ASP N N 7 124.555 125.150 -0.595 1
1 75 . 9 1 1 A 8 8 GLY H H 8 8.185 7.226 0.959 1
1 76 . 9 1 1 A 8 8 GLY HA2 H 8 4.184 4.045 0.139 1
1 77 . 9 1 1 A 8 8 GLY HA3 H 8 4.070 4.056 0.014 1
1 78 . 9 1 1 A 8 8 GLY C C 8 171.436 171.442 -0.006 1
1 79 . 9 1 1 A 8 8 GLY CA C 8 44.634 45.260 -0.626 1
1 80 . 9 1 1 A 8 8 GLY N N 8 109.085 106.800 2.285 1
1 81 . 9 1 1 A 9 9 PRO HA H 9 4.510 4.556 -0.046 1
1 88 . 9 1 1 A 9 9 PRO C C 9 176.784 177.494 -0.710 1
1 89 . 9 1 1 A 9 9 PRO CA C 9 62.869 63.048 -0.179 1
1 90 . 9 1 1 A 9 9 PRO CB C 9 32.364 32.673 -0.309 1
1 93 . 9 1 1 A 10 10 ARG H H 10 8.761 8.423 0.338 1
1 94 . 9 1 1 A 10 10 ARG HA H 10 4.165 4.090 0.075 1
1 99 . 9 1 1 A 10 10 ARG C C 10 175.911 176.329 -0.418 1
1 100 . 9 1 1 A 10 10 ARG CA C 10 57.463 58.267 -0.804 1
1 101 . 9 1 1 A 10 10 ARG CB C 10 31.030 30.432 0.598 1
1 103 . 9 1 1 A 10 10 ARG N N 10 120.390 119.689 0.701 1
1 104 . 9 1 1 A 11 11 GLN H H 11 7.790 7.701 0.089 1
1 105 . 9 1 1 A 11 11 GLN HA H 11 5.173 4.871 0.302 1
1 112 . 9 1 1 A 11 11 GLN C C 11 173.893 173.544 0.349 1
1 113 . 9 1 1 A 11 11 GLN CA C 11 54.402 54.834 -0.432 1
1 114 . 9 1 1 A 11 11 GLN CB C 11 31.366 32.045 -0.679 1
1 116 . 9 1 1 A 11 11 GLN N N 11 114.694 116.058 -1.364 1
1 118 . 9 1 1 A 12 12 VAL H H 12 8.803 9.273 -0.470 1
1 119 . 9 1 1 A 12 12 VAL HA H 12 4.625 4.974 -0.349 1
1 127 . 9 1 1 A 12 12 VAL C C 12 173.796 174.445 -0.649 1
1 128 . 9 1 1 A 12 12 VAL CA C 12 60.127 59.747 0.380 1
1 129 . 9 1 1 A 12 12 VAL CB C 12 35.590 34.859 0.731 1
1 132 . 9 1 1 A 12 12 VAL N N 12 115.575 118.096 -2.521 1
1 133 . 9 1 1 A 13 13 THR H H 13 8.553 8.457 0.096 1
1 134 . 9 1 1 A 13 13 THR HA H 13 4.772 4.785 -0.013 1
1 139 . 9 1 1 A 13 13 THR C C 13 174.526 174.031 0.495 1
1 140 . 9 1 1 A 13 13 THR CA C 13 61.880 61.745 0.135 1
1 141 . 9 1 1 A 13 13 THR CB C 13 69.319 69.877 -0.558 1
1 143 . 9 1 1 A 13 13 THR N N 13 119.282 118.592 0.690 1
1 144 . 9 1 1 A 14 14 LEU H H 14 9.254 9.097 0.157 1
1 145 . 9 1 1 A 14 14 LEU HA H 14 4.210 4.456 -0.246 1
1 155 . 9 1 1 A 14 14 LEU C C 14 177.361 176.616 0.745 1
1 156 . 9 1 1 A 14 14 LEU CA C 14 54.116 52.503 1.613 1
1 157 . 9 1 1 A 14 14 LEU CB C 14 39.546 41.688 -2.142 1
1 161 . 9 1 1 A 14 14 LEU N N 14 129.147 127.379 1.768 1
1 162 . 9 1 1 A 15 15 PRO HA H 15 4.294 4.401 -0.107 1
1 169 . 9 1 1 A 15 15 PRO C C 15 176.570 177.477 -0.907 1
1 170 . 9 1 1 A 15 15 PRO CA C 15 65.392 64.661 0.731 1
1 171 . 9 1 1 A 15 15 PRO CB C 15 31.808 31.773 0.035 1
1 174 . 9 1 1 A 16 16 ASP H H 16 7.397 8.063 -0.666 1
1 175 . 9 1 1 A 16 16 ASP HA H 16 4.486 4.755 -0.269 1
1 178 . 9 1 1 A 16 16 ASP C C 16 177.056 176.500 0.556 1
1 179 . 9 1 1 A 16 16 ASP CA C 16 53.157 53.447 -0.290 1
1 180 . 9 1 1 A 16 16 ASP CB C 16 39.987 40.386 -0.399 1
1 181 . 9 1 1 A 16 16 ASP N N 16 113.036 114.590 -1.554 1
1 182 . 9 1 1 A 17 17 GLY H H 17 8.399 8.276 0.123 1
1 183 . 9 1 1 A 17 17 GLY HA2 H 17 4.293 3.960 0.333 1
1 184 . 9 1 1 A 17 17 GLY HA3 H 17 3.481 3.965 -0.484 1
1 185 . 9 1 1 A 17 17 GLY C C 17 174.700 174.204 0.496 1
1 186 . 9 1 1 A 17 17 GLY CA C 17 44.998 45.005 -0.007 1
1 187 . 9 1 1 A 17 17 GLY N N 17 108.859 106.766 2.093 1
1 188 . 9 1 1 A 18 18 THR H H 18 8.003 7.700 0.303 1
1 189 . 9 1 1 A 18 18 THR HA H 18 4.151 4.412 -0.261 1
1 194 . 9 1 1 A 18 18 THR C C 18 172.576 173.685 -1.109 1
1 195 . 9 1 1 A 18 18 THR CA C 18 63.144 62.483 0.661 1
1 196 . 9 1 1 A 18 18 THR CB C 18 69.888 69.549 0.339 1
1 198 . 9 1 1 A 18 18 THR N N 18 116.015 116.847 -0.832 1
1 199 . 9 1 1 A 19 19 VAL H H 19 8.384 8.404 -0.020 1
1 200 . 9 1 1 A 19 19 VAL HA H 19 4.726 4.770 -0.044 1
1 208 . 9 1 1 A 19 19 VAL C C 19 175.823 173.752 2.071 1
1 209 . 9 1 1 A 19 19 VAL CA C 19 61.491 60.982 0.509 1
1 210 . 9 1 1 A 19 19 VAL CB C 19 33.757 33.961 -0.204 1
1 213 . 9 1 1 A 19 19 VAL N N 19 121.723 122.529 -0.806 1
1 214 . 9 1 1 A 20 20 LEU H H 20 8.948 9.227 -0.279 1
1 215 . 9 1 1 A 20 20 LEU HA H 20 4.784 5.249 -0.465 1
1 225 . 9 1 1 A 20 20 LEU C C 20 174.749 175.963 -1.214 1
1 226 . 9 1 1 A 20 20 LEU CA C 20 53.616 53.433 0.183 1
1 227 . 9 1 1 A 20 20 LEU CB C 20 45.062 44.581 0.481 1
1 231 . 9 1 1 A 20 20 LEU N N 20 129.673 130.845 -1.172 1
1 232 . 9 1 1 A 21 21 SER H H 21 9.246 8.651 0.595 1
1 233 . 9 1 1 A 21 21 SER HA H 21 5.207 5.049 0.158 1
1 236 . 9 1 1 A 21 21 SER C C 21 176.047 176.040 0.007 1
1 237 . 9 1 1 A 21 21 SER CA C 21 56.523 55.710 0.813 1
1 238 . 9 1 1 A 21 21 SER CB C 21 66.369 66.577 -0.208 1
1 239 . 9 1 1 A 21 21 SER N N 21 120.387 119.001 1.386 1
1 240 . 9 1 1 A 22 22 ARG H H 22 8.847 9.265 -0.418 1
1 241 . 9 1 1 A 22 22 ARG HA H 22 3.868 4.156 -0.288 1
1 248 . 9 1 1 A 22 22 ARG C C 22 178.388 176.887 1.501 1
1 249 . 9 1 1 A 22 22 ARG CA C 22 60.207 59.106 1.101 1
1 250 . 9 1 1 A 22 22 ARG CB C 22 29.118 29.745 -0.627 1
1 253 . 9 1 1 A 22 22 ARG N N 22 122.878 121.331 1.547 1
1 254 . 9 1 1 A 23 23 ALA H H 23 8.243 7.869 0.374 1
1 255 . 9 1 1 A 23 23 ALA HA H 23 4.175 4.363 -0.188 1
1 259 . 9 1 1 A 23 23 ALA C C 23 177.763 177.702 0.061 1
1 260 . 9 1 1 A 23 23 ALA CA C 23 54.000 52.049 1.951 1
1 261 . 9 1 1 A 23 23 ALA CB C 23 18.461 19.631 -1.170 1
1 262 . 9 1 1 A 23 23 ALA N N 23 121.050 121.061 -0.011 1
1 263 . 9 1 1 A 24 24 ASP H H 24 7.597 8.157 -0.560 1
1 264 . 9 1 1 A 24 24 ASP HA H 24 4.632 4.745 -0.113 1
1 267 . 9 1 1 A 24 24 ASP C C 24 176.608 176.527 0.081 1
1 268 . 9 1 1 A 24 24 ASP CA C 24 54.726 54.508 0.218 1
1 269 . 9 1 1 A 24 24 ASP CB C 24 42.026 41.598 0.428 1
1 270 . 9 1 1 A 24 24 ASP N N 24 115.095 117.008 -1.913 1
1 271 . 9 1 1 A 25 25 LEU H H 25 7.311 7.027 0.284 1
1 272 . 9 1 1 A 25 25 LEU HA H 25 4.402 4.497 -0.095 1
1 282 . 9 1 1 A 25 25 LEU C C 25 174.724 174.914 -0.190 1
1 283 . 9 1 1 A 25 25 LEU CA C 25 53.307 53.922 -0.615 1
1 284 . 9 1 1 A 25 25 LEU CB C 25 40.047 41.748 -1.701 1
1 288 . 9 1 1 A 25 25 LEU N N 25 119.781 122.574 -2.793 1
1 289 . 9 1 1 A 26 26 PRO HA H 26 4.745 4.676 0.069 1
1 296 . 9 1 1 A 26 26 PRO CA C 26 61.496 62.045 -0.549 1
1 297 . 9 1 1 A 26 26 PRO CB C 26 30.700 31.798 -1.098 1
1 300 . 9 1 1 A 27 27 PRO HA H 27 4.598 4.657 -0.059 1
1 307 . 9 1 1 A 27 27 PRO C C 27 178.036 177.315 0.721 1
1 308 . 9 1 1 A 27 27 PRO CA C 27 62.923 62.564 0.359 1
1 309 . 9 1 1 A 27 27 PRO CB C 27 32.758 32.500 0.258 1
1 312 . 9 1 1 A 28 28 LEU H H 28 8.880 8.499 0.381 1
1 313 . 9 1 1 A 28 28 LEU HA H 28 4.177 4.362 -0.185 1
1 323 . 9 1 1 A 28 28 LEU C C 28 176.873 178.673 -1.800 1
1 324 . 9 1 1 A 28 28 LEU CA C 28 57.833 57.325 0.508 1
1 325 . 9 1 1 A 28 28 LEU CB C 28 41.291 41.554 -0.263 1
1 329 . 9 1 1 A 28 28 LEU N N 28 122.643 123.013 -0.370 1
1 330 . 9 1 1 A 29 29 ASP H H 29 8.203 8.199 0.004 1
1 331 . 9 1 1 A 29 29 ASP HA H 29 4.615 4.468 0.147 1
1 334 . 9 1 1 A 29 29 ASP C C 29 176.158 177.182 -1.024 1
1 335 . 9 1 1 A 29 29 ASP CA C 29 53.098 56.291 -3.193 1
1 336 . 9 1 1 A 29 29 ASP CB C 29 39.311 40.724 -1.413 1
1 337 . 9 1 1 A 29 29 ASP N N 29 115.741 118.402 -2.661 1
1 338 . 9 1 1 A 30 30 THR H H 30 7.516 7.285 0.231 1
1 339 . 9 1 1 A 30 30 THR HA H 30 3.599 4.123 -0.524 1
1 344 . 9 1 1 A 30 30 THR C C 30 174.366 173.962 0.404 1
1 345 . 9 1 1 A 30 30 THR CA C 30 65.815 62.616 3.199 1
1 346 . 9 1 1 A 30 30 THR CB C 30 69.989 67.931 2.058 1
1 348 . 9 1 1 A 30 30 THR N N 30 116.808 114.262 2.546 1
1 349 . 9 1 1 A 31 31 ARG H H 31 8.482 8.915 -0.433 1
1 350 . 9 1 1 A 31 31 ARG HA H 31 4.583 4.423 0.160 1
1 358 . 9 1 1 A 31 31 ARG CA C 31 55.399 57.218 -1.819 1
1 359 . 9 1 1 A 31 31 ARG CB C 31 32.296 31.678 0.618 1
1 362 . 9 1 1 A 31 31 ARG N N 31 124.991 127.984 -2.993 1
1 364 . 9 1 1 A 32 32 ARG HA H 32 4.523 4.451 0.072 1
1 372 . 9 1 1 A 32 32 ARG C C 32 175.341 175.680 -0.339 1
1 373 . 9 1 1 A 32 32 ARG CA C 32 54.759 56.038 -1.279 1
1 374 . 9 1 1 A 32 32 ARG CB C 32 30.348 29.146 1.202 1
1 378 . 9 1 1 A 33 33 TRP H H 33 8.923 8.587 0.336 1
1 379 . 9 1 1 A 33 33 TRP HA H 33 4.292 4.699 -0.407 1
1 388 . 9 1 1 A 33 33 TRP C C 33 176.208 176.527 -0.319 1
1 389 . 9 1 1 A 33 33 TRP CA C 33 56.923 58.272 -1.349 1
1 390 . 9 1 1 A 33 33 TRP CB C 33 28.492 29.713 -1.221 1
1 396 . 9 1 1 A 33 33 TRP N N 33 128.804 126.325 2.479 1
1 398 . 9 1 1 A 34 34 VAL H H 34 6.953 8.572 -1.619 1
1 399 . 9 1 1 A 34 34 VAL HA H 34 4.451 4.600 -0.149 1
1 407 . 9 1 1 A 34 34 VAL C C 34 177.217 176.826 0.391 1
1 408 . 9 1 1 A 34 34 VAL CA C 34 60.180 60.439 -0.259 1
1 409 . 9 1 1 A 34 34 VAL CB C 34 32.686 34.622 -1.936 1
1 412 . 9 1 1 A 34 34 VAL N N 34 114.683 122.021 -7.338 1
1 413 . 9 1 1 A 35 35 ALA HA H 35 3.745 3.901 -0.156 1
1 417 . 9 1 1 A 35 35 ALA C C 35 180.114 179.746 0.368 1
1 418 . 9 1 1 A 35 35 ALA CA C 35 56.618 55.508 1.110 1
1 419 . 9 1 1 A 35 35 ALA CB C 35 18.334 18.129 0.205 1
1 420 . 9 1 1 A 36 36 SER H H 36 8.841 8.016 0.825 1
1 421 . 9 1 1 A 36 36 SER HA H 36 4.140 4.155 -0.015 1
1 424 . 9 1 1 A 36 36 SER C C 36 177.291 176.105 1.186 1
1 425 . 9 1 1 A 36 36 SER CA C 36 61.250 61.011 0.239 1
1 426 . 9 1 1 A 36 36 SER CB C 36 61.673 62.984 -1.311 1
1 427 . 9 1 1 A 36 36 SER N N 36 111.913 113.224 -1.311 1
1 428 . 9 1 1 A 37 37 ARG H H 37 7.183 7.409 -0.226 1
1 429 . 9 1 1 A 37 37 ARG HA H 37 4.349 4.248 0.101 1
1 436 . 9 1 1 A 37 37 ARG C C 37 177.816 178.799 -0.983 1
1 437 . 9 1 1 A 37 37 ARG CA C 37 58.944 58.437 0.507 1
1 438 . 9 1 1 A 37 37 ARG CB C 37 31.009 30.230 0.779 1
1 441 . 9 1 1 A 37 37 ARG N N 37 123.504 121.519 1.985 1
1 442 . 9 1 1 A 38 38 LYS H H 38 7.514 8.052 -0.538 1
1 443 . 9 1 1 A 38 38 LYS HA H 38 3.592 3.420 0.172 1
1 452 . 9 1 1 A 38 38 LYS C C 38 178.935 179.307 -0.372 1
1 453 . 9 1 1 A 38 38 LYS CA C 38 59.846 58.997 0.849 1
1 454 . 9 1 1 A 38 38 LYS CB C 38 33.310 31.552 1.758 1
1 458 . 9 1 1 A 38 38 LYS N N 38 118.200 119.763 -1.563 1
1 459 . 9 1 1 A 39 39 ALA H H 39 8.131 7.947 0.184 1
1 460 . 9 1 1 A 39 39 ALA HA H 39 3.865 4.078 -0.213 1
1 464 . 9 1 1 A 39 39 ALA C C 39 178.995 179.878 -0.883 1
1 465 . 9 1 1 A 39 39 ALA CA C 39 55.093 54.883 0.210 1
1 466 . 9 1 1 A 39 39 ALA CB C 39 18.124 18.144 -0.020 1
1 467 . 9 1 1 A 39 39 ALA N N 39 117.547 122.166 -4.619 1
1 468 . 9 1 1 A 40 40 ALA H H 40 7.375 7.642 -0.267 1
1 469 . 9 1 1 A 40 40 ALA HA H 40 4.134 4.221 -0.087 1
1 473 . 9 1 1 A 40 40 ALA C C 40 179.512 179.728 -0.216 1
1 474 . 9 1 1 A 40 40 ALA CA C 40 55.506 55.064 0.442 1
1 475 . 9 1 1 A 40 40 ALA CB C 40 18.473 18.099 0.374 1
1 476 . 9 1 1 A 40 40 ALA N N 40 119.346 121.073 -1.727 1
1 477 . 9 1 1 A 41 41 VAL H H 41 7.382 7.992 -0.610 1
1 478 . 9 1 1 A 41 41 VAL HA H 41 3.642 3.745 -0.103 1
1 486 . 9 1 1 A 41 41 VAL C C 41 177.423 178.341 -0.918 1
1 487 . 9 1 1 A 41 41 VAL CA C 41 67.279 67.112 0.167 1
1 488 . 9 1 1 A 41 41 VAL CB C 41 32.149 31.643 0.506 1
1 491 . 9 1 1 A 41 41 VAL N N 41 116.434 118.259 -1.825 1
1 492 . 9 1 1 A 42 42 VAL H H 42 8.332 8.158 0.174 1
1 493 . 9 1 1 A 42 42 VAL HA H 42 3.723 3.884 -0.161 1
1 501 . 9 1 1 A 42 42 VAL C C 42 178.381 178.123 0.258 1
1 502 . 9 1 1 A 42 42 VAL CA C 42 67.698 65.348 2.350 1
1 503 . 9 1 1 A 42 42 VAL CB C 42 32.170 31.173 0.997 1
1 506 . 9 1 1 A 42 42 VAL N N 42 118.061 120.377 -2.316 1
1 507 . 9 1 1 A 43 43 LYS H H 43 8.973 8.106 0.867 1
1 508 . 9 1 1 A 43 43 LYS HA H 43 3.977 4.051 -0.074 1
1 517 . 9 1 1 A 43 43 LYS C C 43 177.830 179.459 -1.629 1
1 518 . 9 1 1 A 43 43 LYS CA C 43 60.343 59.262 1.081 1
1 519 . 9 1 1 A 43 43 LYS CB C 43 32.863 31.861 1.002 1
1 523 . 9 1 1 A 43 43 LYS N N 43 118.026 122.709 -4.683 1
1 524 . 9 1 1 A 44 44 ALA H H 44 7.959 8.042 -0.083 1
1 525 . 9 1 1 A 44 44 ALA HA H 44 3.968 4.136 -0.168 1
1 529 . 9 1 1 A 44 44 ALA C C 44 178.921 179.570 -0.649 1
1 530 . 9 1 1 A 44 44 ALA CA C 44 55.324 55.246 0.078 1
1 531 . 9 1 1 A 44 44 ALA CB C 44 19.816 18.568 1.248 1
1 532 . 9 1 1 A 44 44 ALA N N 44 119.893 122.478 -2.585 1
1 533 . 9 1 1 A 45 45 VAL H H 45 7.789 7.806 -0.017 1
1 534 . 9 1 1 A 45 45 VAL HA H 45 4.494 4.044 0.450 1
1 542 . 9 1 1 A 45 45 VAL C C 45 180.590 178.446 2.144 1
1 543 . 9 1 1 A 45 45 VAL CA C 45 64.383 66.858 -2.475 1
1 544 . 9 1 1 A 45 45 VAL CB C 45 32.456 31.302 1.154 1
1 547 . 9 1 1 A 45 45 VAL N N 45 118.569 117.603 0.966 1
1 548 . 9 1 1 A 46 46 ILE H H 46 8.945 8.245 0.700 1
1 549 . 9 1 1 A 46 46 ILE HA H 46 3.689 3.596 0.093 1
1 559 . 9 1 1 A 46 46 ILE C C 46 178.437 177.557 0.880 1
1 560 . 9 1 1 A 46 46 ILE CA C 46 65.391 65.028 0.363 1
1 561 . 9 1 1 A 46 46 ILE CB C 46 38.182 37.787 0.395 1
1 565 . 9 1 1 A 46 46 ILE N N 46 121.331 119.492 1.839 1
1 566 . 9 1 1 A 47 47 HIS H H 47 8.030 7.807 0.223 1
1 567 . 9 1 1 A 47 47 HIS HA H 47 4.663 4.601 0.062 1
1 572 . 9 1 1 A 47 47 HIS C C 47 175.308 175.327 -0.019 1
1 573 . 9 1 1 A 47 47 HIS CA C 47 56.736 55.955 0.781 1
1 574 . 9 1 1 A 47 47 HIS CB C 47 29.482 30.078 -0.596 1
1 577 . 9 1 1 A 47 47 HIS N N 47 113.700 116.944 -3.244 1
1 578 . 9 1 1 A 48 48 GLY H H 48 7.543 7.650 -0.107 1
1 579 . 9 1 1 A 48 48 GLY HA2 H 48 4.026 3.893 0.133 1
1 580 . 9 1 1 A 48 48 GLY HA3 H 48 3.904 3.903 0.001 1
1 581 . 9 1 1 A 48 48 GLY C C 48 175.172 175.258 -0.086 1
1 582 . 9 1 1 A 48 48 GLY CA C 48 46.740 46.056 0.684 1
1 583 . 9 1 1 A 48 48 GLY N N 48 106.113 107.866 -1.753 1
1 584 . 9 1 1 A 49 49 LEU H H 49 8.803 7.862 0.941 1
1 585 . 9 1 1 A 49 49 LEU HA H 49 4.090 4.061 0.029 1
1 595 . 9 1 1 A 49 49 LEU C C 49 176.111 176.398 -0.287 1
1 596 . 9 1 1 A 49 49 LEU CA C 49 57.575 57.645 -0.070 1
1 597 . 9 1 1 A 49 49 LEU CB C 49 42.969 42.641 0.328 1
1 601 . 9 1 1 A 49 49 LEU N N 49 122.636 121.972 0.664 1
1 602 . 9 1 1 A 50 50 ILE H H 50 7.257 7.314 -0.057 1
1 603 . 9 1 1 A 50 50 ILE HA H 50 4.689 4.776 -0.087 1
1 613 . 9 1 1 A 50 50 ILE C C 50 174.994 174.488 0.506 1
1 614 . 9 1 1 A 50 50 ILE CA C 50 58.262 58.717 -0.455 1
1 615 . 9 1 1 A 50 50 ILE CB C 50 41.641 41.400 0.241 1
1 619 . 9 1 1 A 50 50 ILE N N 50 107.650 114.168 -6.518 1
1 620 . 9 1 1 A 51 51 THR H H 51 8.677 8.368 0.309 1
1 621 . 9 1 1 A 51 51 THR HA H 51 4.466 4.704 -0.238 1
1 627 . 9 1 1 A 51 51 THR C C 51 175.227 174.890 0.337 1
1 628 . 9 1 1 A 51 51 THR CA C 51 60.728 60.397 0.331 1
1 629 . 9 1 1 A 51 51 THR CB C 51 71.216 70.621 0.595 1
1 631 . 9 1 1 A 51 51 THR N N 51 111.798 117.027 -5.229 1
1 632 . 9 1 1 A 52 52 GLU H H 52 9.034 9.020 0.014 1
1 633 . 9 1 1 A 52 52 GLU HA H 52 3.507 3.529 -0.022 1
1 638 . 9 1 1 A 52 52 GLU C C 52 177.287 178.021 -0.734 1
1 639 . 9 1 1 A 52 52 GLU CA C 52 60.515 59.682 0.833 1
1 640 . 9 1 1 A 52 52 GLU CB C 52 29.418 29.152 0.266 1
1 642 . 9 1 1 A 52 52 GLU N N 52 122.067 126.262 -4.195 1
1 643 . 9 1 1 A 53 53 ARG H H 53 8.213 7.770 0.443 1
1 644 . 9 1 1 A 53 53 ARG HA H 53 3.740 3.900 -0.160 1
1 652 . 9 1 1 A 53 53 ARG C C 53 177.698 178.888 -1.190 1
1 653 . 9 1 1 A 53 53 ARG CA C 53 58.635 59.621 -0.986 1
1 654 . 9 1 1 A 53 53 ARG CB C 53 30.257 30.002 0.255 1
1 658 . 9 1 1 A 53 53 ARG N N 53 116.853 118.700 -1.847 1
1 660 . 9 1 1 A 54 54 GLU H H 54 7.747 8.432 -0.685 1
1 661 . 9 1 1 A 54 54 GLU HA H 54 3.978 3.997 -0.019 1
1 666 . 9 1 1 A 54 54 GLU C C 54 178.915 178.243 0.672 1
1 667 . 9 1 1 A 54 54 GLU CA C 54 59.312 59.696 -0.384 1
1 668 . 9 1 1 A 54 54 GLU CB C 54 29.678 29.202 0.476 1
1 670 . 9 1 1 A 54 54 GLU N N 54 118.040 119.008 -0.968 1
1 671 . 9 1 1 A 55 55 ALA H H 55 7.932 7.797 0.135 1
1 672 . 9 1 1 A 55 55 ALA HA H 55 3.694 4.206 -0.512 1
1 676 . 9 1 1 A 55 55 ALA C C 55 178.383 180.181 -1.798 1
1 677 . 9 1 1 A 55 55 ALA CA C 55 55.871 55.270 0.601 1
1 678 . 9 1 1 A 55 55 ALA CB C 55 17.664 18.184 -0.520 1
1 679 . 9 1 1 A 55 55 ALA N N 55 122.121 121.573 0.548 1
1 680 . 9 1 1 A 56 56 LEU H H 56 8.110 8.021 0.089 1
1 681 . 9 1 1 A 56 56 LEU HA H 56 3.605 3.843 -0.238 1
1 691 . 9 1 1 A 56 56 LEU C C 56 180.273 178.620 1.653 1
1 692 . 9 1 1 A 56 56 LEU CA C 56 58.167 58.118 0.049 1
1 693 . 9 1 1 A 56 56 LEU CB C 56 39.563 41.722 -2.159 1
1 697 . 9 1 1 A 56 56 LEU N N 56 114.908 118.685 -3.777 1
1 698 . 9 1 1 A 57 57 ASP H H 57 8.080 8.296 -0.216 1
1 699 . 9 1 1 A 57 57 ASP HA H 57 4.353 4.357 -0.004 1
1 702 . 9 1 1 A 57 57 ASP C C 57 179.121 179.068 0.053 1
1 703 . 9 1 1 A 57 57 ASP CA C 57 56.644 57.282 -0.638 1
1 704 . 9 1 1 A 57 57 ASP CB C 57 40.909 40.214 0.695 1
1 705 . 9 1 1 A 57 57 ASP N N 57 117.019 119.605 -2.586 1
1 706 . 9 1 1 A 58 58 ARG H H 58 8.584 8.593 -0.009 1
1 707 . 9 1 1 A 58 58 ARG HA H 58 3.728 3.980 -0.252 1
1 715 . 9 1 1 A 58 58 ARG C C 58 177.362 176.893 0.469 1
1 716 . 9 1 1 A 58 58 ARG CA C 58 59.141 58.778 0.363 1
1 717 . 9 1 1 A 58 58 ARG CB C 58 30.462 29.847 0.615 1
1 720 . 9 1 1 A 58 58 ARG N N 58 119.926 117.827 2.099 1
1 722 . 9 1 1 A 59 59 TYR H H 59 7.133 7.422 -0.289 1
1 723 . 9 1 1 A 59 59 TYR HA H 59 5.018 4.740 0.278 1
1 730 . 9 1 1 A 59 59 TYR C C 59 173.865 174.969 -1.104 1
1 731 . 9 1 1 A 59 59 TYR CA C 59 57.348 57.722 -0.374 1
1 732 . 9 1 1 A 59 59 TYR CB C 59 38.052 39.159 -1.107 1
1 737 . 9 1 1 A 59 59 TYR N N 59 111.796 118.748 -6.952 1
1 738 . 9 1 1 A 60 60 SER H H 60 7.542 8.042 -0.500 1
1 739 . 9 1 1 A 60 60 SER HA H 60 4.082 4.163 -0.081 1
1 742 . 9 1 1 A 60 60 SER C C 60 176.402 173.599 2.803 1
1 743 . 9 1 1 A 60 60 SER CA C 60 58.482 59.373 -0.891 1
1 744 . 9 1 1 A 60 60 SER CB C 60 61.229 61.171 0.058 1
1 745 . 9 1 1 A 60 60 SER N N 60 114.624 111.770 2.854 1
1 746 . 9 1 1 A 61 61 LEU H H 61 8.228 8.152 0.076 1
1 747 . 9 1 1 A 61 61 LEU HA H 61 4.583 4.360 0.223 1
1 757 . 9 1 1 A 61 61 LEU C C 61 176.463 176.856 -0.393 1
1 758 . 9 1 1 A 61 61 LEU CA C 61 52.478 54.214 -1.736 1
1 759 . 9 1 1 A 61 61 LEU CB C 61 45.873 42.704 3.169 1
1 763 . 9 1 1 A 61 61 LEU N N 61 119.424 121.785 -2.361 1
1 764 . 9 1 1 A 62 62 SER H H 62 8.376 9.028 -0.652 1
1 765 . 9 1 1 A 62 62 SER HA H 62 4.555 4.630 -0.075 1
1 768 . 9 1 1 A 62 62 SER C C 62 175.088 175.725 -0.637 1
1 769 . 9 1 1 A 62 62 SER CA C 62 56.123 57.443 -1.320 1
1 770 . 9 1 1 A 62 62 SER CB C 62 65.560 64.872 0.688 1
1 771 . 9 1 1 A 62 62 SER N N 62 115.890 117.743 -1.853 1
1 772 . 9 1 1 A 63 63 GLU H H 63 9.204 9.108 0.096 1
1 773 . 9 1 1 A 63 63 GLU HA H 63 3.806 3.996 -0.190 1
1 778 . 9 1 1 A 63 63 GLU C C 63 179.412 178.272 1.140 1
1 779 . 9 1 1 A 63 63 GLU CA C 63 60.338 59.581 0.757 1
1 780 . 9 1 1 A 63 63 GLU CB C 63 29.354 29.176 0.178 1
1 782 . 9 1 1 A 63 63 GLU N N 63 122.263 124.095 -1.832 1
1 783 . 9 1 1 A 64 64 GLU H H 64 8.859 8.461 0.398 1
1 784 . 9 1 1 A 64 64 GLU HA H 64 3.969 4.086 -0.117 1
1 789 . 9 1 1 A 64 64 GLU C C 64 178.700 178.734 -0.034 1
1 790 . 9 1 1 A 64 64 GLU CA C 64 59.822 59.525 0.297 1
1 791 . 9 1 1 A 64 64 GLU CB C 64 29.210 29.392 -0.182 1
1 793 . 9 1 1 A 64 64 GLU N N 64 119.056 117.602 1.454 1
1 794 . 9 1 1 A 65 65 GLU H H 65 7.864 7.928 -0.064 1
1 795 . 9 1 1 A 65 65 GLU HA H 65 3.960 3.998 -0.038 1
1 800 . 9 1 1 A 65 65 GLU C C 65 177.783 178.558 -0.775 1
1 801 . 9 1 1 A 65 65 GLU CA C 65 58.817 59.336 -0.519 1
1 802 . 9 1 1 A 65 65 GLU CB C 65 29.452 29.152 0.300 1
1 804 . 9 1 1 A 65 65 GLU N N 65 121.783 119.960 1.823 1
1 805 . 9 1 1 A 66 66 PHE H H 66 7.918 7.726 0.192 1
1 806 . 9 1 1 A 66 66 PHE HA H 66 3.294 3.606 -0.312 1
1 814 . 9 1 1 A 66 66 PHE C C 66 177.021 177.721 -0.700 1
1 815 . 9 1 1 A 66 66 PHE CA C 66 61.197 61.204 -0.007 1
1 816 . 9 1 1 A 66 66 PHE CB C 66 39.279 38.907 0.372 1
1 820 . 9 1 1 A 66 66 PHE N N 66 117.902 120.151 -2.249 1
1 821 . 9 1 1 A 67 67 ALA H H 67 8.011 8.045 -0.034 1
1 822 . 9 1 1 A 67 67 ALA HA H 67 3.839 3.715 0.124 1
1 826 . 9 1 1 A 67 67 ALA C C 67 181.069 179.946 1.123 1
1 827 . 9 1 1 A 67 67 ALA CA C 67 55.296 55.081 0.215 1
1 828 . 9 1 1 A 67 67 ALA CB C 67 17.648 17.809 -0.161 1
1 829 . 9 1 1 A 67 67 ALA N N 67 119.951 121.052 -1.101 1
1 830 . 9 1 1 A 68 68 LEU H H 68 7.431 7.941 -0.510 1
1 831 . 9 1 1 A 68 68 LEU HA H 68 4.162 4.004 0.158 1
1 841 . 9 1 1 A 68 68 LEU C C 68 180.631 179.499 1.132 1
1 842 . 9 1 1 A 68 68 LEU CA C 68 57.621 57.919 -0.298 1
1 843 . 9 1 1 A 68 68 LEU CB C 68 41.083 42.219 -1.136 1
1 847 . 9 1 1 A 68 68 LEU N N 68 119.888 118.051 1.837 1
1 848 . 9 1 1 A 69 69 TRP H H 69 8.288 8.169 0.119 1
1 849 . 9 1 1 A 69 69 TRP HA H 69 4.341 4.242 0.099 1
1 858 . 9 1 1 A 69 69 TRP C C 69 179.178 179.263 -0.085 1
1 859 . 9 1 1 A 69 69 TRP CA C 69 59.228 60.330 -1.102 1
1 860 . 9 1 1 A 69 69 TRP CB C 69 28.387 28.838 -0.451 1
1 866 . 9 1 1 A 69 69 TRP N N 69 122.616 118.896 3.720 1
1 868 . 9 1 1 A 70 70 ARG H H 70 8.291 7.955 0.336 1
1 869 . 9 1 1 A 70 70 ARG HA H 70 3.743 3.995 -0.252 1
1 877 . 9 1 1 A 70 70 ARG C C 70 178.811 178.275 0.536 1
1 878 . 9 1 1 A 70 70 ARG CA C 70 59.614 58.577 1.037 1
1 879 . 9 1 1 A 70 70 ARG CB C 70 30.171 29.699 0.472 1
1 882 . 9 1 1 A 70 70 ARG N N 70 117.864 118.003 -0.139 1
1 884 . 9 1 1 A 71 71 SER H H 71 8.000 7.625 0.375 1
1 885 . 9 1 1 A 71 71 SER HA H 71 4.212 4.239 -0.027 1
1 888 . 9 1 1 A 71 71 SER C C 71 176.074 175.661 0.413 1
1 889 . 9 1 1 A 71 71 SER CA C 71 61.074 61.809 -0.735 1
1 890 . 9 1 1 A 71 71 SER CB C 71 62.891 63.250 -0.359 1
1 891 . 9 1 1 A 71 71 SER N N 71 114.582 117.661 -3.079 1
1 892 . 9 1 1 A 72 72 ALA H H 72 7.816 7.849 -0.033 1
1 893 . 9 1 1 A 72 72 ALA HA H 72 4.230 4.184 0.046 1
1 897 . 9 1 1 A 72 72 ALA C C 72 179.631 178.754 0.877 1
1 898 . 9 1 1 A 72 72 ALA CA C 72 54.245 53.983 0.262 1
1 899 . 9 1 1 A 72 72 ALA CB C 72 18.687 18.615 0.072 1
1 900 . 9 1 1 A 72 72 ALA N N 72 124.141 123.088 1.053 1
1 901 . 9 1 1 A 73 73 VAL H H 73 7.728 7.710 0.018 1
1 902 . 9 1 1 A 73 73 VAL HA H 73 3.850 3.928 -0.078 1
1 910 . 9 1 1 A 73 73 VAL C C 73 177.286 177.932 -0.646 1
1 911 . 9 1 1 A 73 73 VAL CA C 73 64.163 64.763 -0.600 1
1 912 . 9 1 1 A 73 73 VAL CB C 73 32.466 32.115 0.351 1
1 915 . 9 1 1 A 73 73 VAL N N 73 117.289 116.748 0.541 1
1 916 . 9 1 1 A 74 74 ALA H H 74 7.960 8.038 -0.078 1
1 917 . 9 1 1 A 74 74 ALA HA H 74 4.195 3.962 0.233 1
1 921 . 9 1 1 A 74 74 ALA C C 74 178.318 179.484 -1.166 1
1 922 . 9 1 1 A 74 74 ALA CA C 74 53.559 55.406 -1.847 1
1 923 . 9 1 1 A 74 74 ALA CB C 74 18.612 18.289 0.323 1
1 924 . 9 1 1 A 74 74 ALA N N 74 123.977 122.115 1.862 1
1 925 . 9 1 1 A 75 75 ALA H H 75 7.889 7.291 0.598 1
1 926 . 9 1 1 A 75 75 ALA HA H 75 4.214 4.210 0.004 1
1 930 . 9 1 1 A 75 75 ALA C C 75 178.233 178.103 0.130 1
1 931 . 9 1 1 A 75 75 ALA CA C 75 53.242 54.795 -1.553 1
1 932 . 9 1 1 A 75 75 ALA CB C 75 18.812 19.925 -1.113 1
1 933 . 9 1 1 A 75 75 ALA N N 75 120.956 119.885 1.071 1
1 934 . 9 1 1 A 76 76 HIS H H 76 8.057 8.551 -0.494 1
1 935 . 9 1 1 A 76 76 HIS HA H 76 4.585 4.338 0.247 1
1 939 . 9 1 1 A 76 76 HIS C C 76 176.217 174.072 2.145 1
1 940 . 9 1 1 A 76 76 HIS CA C 76 56.644 57.221 -0.577 1
1 941 . 9 1 1 A 76 76 HIS CB C 76 30.282 29.255 1.027 1
1 943 . 9 1 1 A 76 76 HIS N N 76 117.302 116.137 1.165 1
1 944 . 9 1 1 A 77 77 GLY H H 77 8.229 7.834 0.395 1
1 945 . 9 1 1 A 77 77 GLY HA2 H 77 3.951 3.939 0.012 1
1 946 . 9 1 1 A 77 77 GLY HA3 H 77 3.951 3.964 -0.013 1
1 947 . 9 1 1 A 77 77 GLY C C 77 174.415 174.663 -0.248 1
1 948 . 9 1 1 A 77 77 GLY CA C 77 45.560 45.735 -0.175 1
1 949 . 9 1 1 A 77 77 GLY N N 77 109.118 107.123 1.995 1
1 950 . 9 1 1 A 78 78 GLU H H 78 8.335 8.921 -0.586 1
1 951 . 9 1 1 A 78 78 GLU HA H 78 4.210 5.005 -0.795 1
1 956 . 9 1 1 A 78 78 GLU C C 78 177.052 176.443 0.609 1
1 957 . 9 1 1 A 78 78 GLU CA C 78 56.836 56.392 0.444 1
1 958 . 9 1 1 A 78 78 GLU CB C 78 30.136 29.053 1.083 1
1 960 . 9 1 1 A 78 78 GLU N N 78 120.947 123.222 -2.275 1
1 961 . 9 1 1 A 79 79 LYS H H 79 8.299 8.008 0.291 1
1 962 . 9 1 1 A 79 79 LYS HA H 79 4.205 4.203 0.002 1
1 971 . 9 1 1 A 79 79 LYS C C 79 176.656 176.481 0.175 1
1 972 . 9 1 1 A 79 79 LYS CA C 79 57.057 58.274 -1.217 1
1 973 . 9 1 1 A 79 79 LYS CB C 79 32.811 33.158 -0.347 1
1 977 . 9 1 1 A 79 79 LYS N N 79 121.638 119.375 2.263 1
1 978 . 9 1 1 A 80 80 ALA H H 80 8.142 7.838 0.304 1
1 979 . 9 1 1 A 80 80 ALA HA H 80 4.245 4.694 -0.449 1
1 983 . 9 1 1 A 80 80 ALA C C 80 177.868 175.862 2.006 1
1 984 . 9 1 1 A 80 80 ALA CA C 80 52.706 50.606 2.100 1
1 985 . 9 1 1 A 80 80 ALA CB C 80 19.117 19.879 -0.762 1
1 986 . 9 1 1 A 80 80 ALA N N 80 123.770 122.504 1.266 1
1 987 . 9 1 1 A 81 81 LEU H H 81 8.040 8.909 -0.869 1
1 988 . 9 1 1 A 81 81 LEU HA H 81 4.245 4.877 -0.632 1
1 998 . 9 1 1 A 81 81 LEU C C 81 177.434 175.544 1.890 1
1 999 . 9 1 1 A 81 81 LEU CA C 81 55.673 54.454 1.219 1
1 1000 . 9 1 1 A 81 81 LEU CB C 81 42.160 40.540 1.620 1
1 1004 . 9 1 1 A 81 81 LEU N N 81 120.893 124.816 -3.923 1
1 1005 . 9 1 1 A 82 82 LYS H H 82 8.178 7.999 0.179 1
1 1006 . 9 1 1 A 82 82 LYS HA H 82 4.283 4.485 -0.202 1
1 1015 . 9 1 1 A 82 82 LYS C C 82 176.810 177.405 -0.595 1
1 1016 . 9 1 1 A 82 82 LYS CA C 82 56.715 55.748 0.967 1
1 1017 . 9 1 1 A 82 82 LYS CB C 82 32.846 33.882 -1.036 1
1 1021 . 9 1 1 A 82 82 LYS N N 82 121.957 124.633 -2.676 1
1 1022 . 9 1 1 A 83 83 VAL H H 83 8.123 8.594 -0.471 1
1 1023 . 9 1 1 A 83 83 VAL HA H 83 4.093 3.883 0.210 1
1 1031 . 9 1 1 A 83 83 VAL C C 83 176.604 177.676 -1.072 1
1 1032 . 9 1 1 A 83 83 VAL CA C 83 62.964 65.389 -2.425 1
1 1033 . 9 1 1 A 83 83 VAL CB C 83 32.742 31.733 1.009 1
1 1036 . 9 1 1 A 83 83 VAL N N 83 121.150 126.772 -5.622 1
1 1037 . 9 1 1 A 84 84 THR H H 84 8.162 8.050 0.112 1
1 1038 . 9 1 1 A 84 84 THR HA H 84 4.276 4.173 0.103 1
1 1043 . 9 1 1 A 84 84 THR C C 84 174.773 176.241 -1.468 1
1 1044 . 9 1 1 A 84 84 THR CA C 84 62.558 65.528 -2.970 1
1 1045 . 9 1 1 A 84 84 THR CB C 84 69.726 68.551 1.175 1
1 1047 . 9 1 1 A 84 84 THR N N 84 117.587 116.342 1.245 1
1 1048 . 9 1 1 A 85 85 MET H H 85 8.353 8.437 -0.084 1
1 1049 . 9 1 1 A 85 85 MET HA H 85 4.448 4.119 0.329 1
1 1054 . 9 1 1 A 85 85 MET C C 85 176.518 178.332 -1.814 1
1 1055 . 9 1 1 A 85 85 MET CA C 85 56.074 58.005 -1.931 1
1 1056 . 9 1 1 A 85 85 MET CB C 85 32.837 32.341 0.496 1
1 1058 . 9 1 1 A 85 85 MET N N 85 122.707 119.934 2.773 1
1 1059 . 9 1 1 A 86 86 ILE H H 86 8.113 7.530 0.583 1
1 1060 . 9 1 1 A 86 86 ILE HA H 86 4.061 3.740 0.321 1
1 1070 . 9 1 1 A 86 86 ILE C C 86 176.712 177.754 -1.042 1
1 1071 . 9 1 1 A 86 86 ILE CA C 86 62.006 65.211 -3.205 1
1 1072 . 9 1 1 A 86 86 ILE CB C 86 38.402 37.801 0.601 1
1 1076 . 9 1 1 A 86 86 ILE N N 86 121.834 120.132 1.702 1
1 1077 . 9 1 1 A 87 87 GLN H H 87 8.328 8.495 -0.167 1
1 1078 . 9 1 1 A 87 87 GLN HA H 87 4.190 4.014 0.176 1
1 1085 . 9 1 1 A 87 87 GLN C C 87 176.617 177.352 -0.735 1
1 1086 . 9 1 1 A 87 87 GLN CA C 87 56.798 58.339 -1.541 1
1 1087 . 9 1 1 A 87 87 GLN CB C 87 29.044 28.041 1.003 1
1 1089 . 9 1 1 A 87 87 GLN N N 87 123.529 119.767 3.762 1
1 1091 . 9 1 1 A 88 88 LYS H H 88 8.232 7.414 0.818 1
1 1092 . 9 1 1 A 88 88 LYS HA H 88 4.133 4.030 0.103 1
1 1101 . 9 1 1 A 88 88 LYS C C 88 176.983 178.874 -1.891 1
1 1102 . 9 1 1 A 88 88 LYS CA C 88 57.289 58.327 -1.038 1
1 1103 . 9 1 1 A 88 88 LYS CB C 88 32.806 32.283 0.523 1
1 1107 . 9 1 1 A 88 88 LYS N N 88 121.677 119.113 2.564 1
1 1108 . 9 1 1 A 89 89 TYR H H 89 8.086 7.563 0.523 1
1 1109 . 9 1 1 A 89 89 TYR HA H 89 4.492 4.381 0.111 1
1 1116 . 9 1 1 A 89 89 TYR C C 89 176.250 178.640 -2.390 1
1 1117 . 9 1 1 A 89 89 TYR CA C 89 58.546 61.087 -2.541 1
1 1118 . 9 1 1 A 89 89 TYR CB C 89 38.410 37.563 0.847 1
1 1123 . 9 1 1 A 89 89 TYR N N 89 119.993 119.541 0.452 1
1 1124 . 9 1 1 A 90 90 ARG H H 90 8.127 8.130 -0.003 1
1 1125 . 9 1 1 A 90 90 ARG HA H 90 4.119 4.172 -0.053 1
1 1132 . 9 1 1 A 90 90 ARG C C 90 176.628 179.565 -2.937 1
1 1133 . 9 1 1 A 90 90 ARG CA C 90 57.085 59.590 -2.505 1
1 1134 . 9 1 1 A 90 90 ARG CB C 90 30.568 30.033 0.535 1
1 1137 . 9 1 1 A 90 90 ARG N N 90 121.679 121.240 0.439 1
1 1138 . 9 1 1 A 91 91 GLN H H 91 8.232 7.750 0.482 1
1 1139 . 9 1 1 A 91 91 GLN HA H 91 4.179 4.175 0.004 1
1 1146 . 9 1 1 A 91 91 GLN C C 91 176.491 178.303 -1.812 1
1 1147 . 9 1 1 A 91 91 GLN CA C 91 56.800 58.492 -1.692 1
1 1148 . 9 1 1 A 91 91 GLN CB C 91 29.129 28.395 0.734 1
1 1150 . 9 1 1 A 91 91 GLN N N 91 120.420 119.700 0.720 1
1 1152 . 9 1 1 A 92 92 LEU H H 92 8.118 7.874 0.244 1
1 1153 . 9 1 1 A 92 92 LEU HA H 92 4.269 4.179 0.090 1
1 1162 . 9 1 1 A 92 92 LEU C C 92 177.632 177.990 -0.358 1
1 1163 . 9 1 1 A 92 92 LEU CA C 92 55.419 57.621 -2.202 1
1 1164 . 9 1 1 A 92 92 LEU CB C 92 42.238 41.843 0.395 1
1 1167 . 9 1 1 A 92 92 LEU N N 92 122.670 120.792 1.878 1
1 1168 . 9 1 1 A 93 93 HIS H H 93 8.049 7.750 0.299 1
1 1169 . 9 1 1 A 93 93 HIS HA H 93 4.228 4.414 -0.186 1
1 1172 . 9 1 1 A 93 93 HIS C C 93 177.608 174.565 3.043 1
1 1173 . 9 1 1 A 93 93 HIS CA C 93 55.512 57.755 -2.243 1
1 1174 . 9 1 1 A 93 93 HIS CB C 93 42.238 30.626 11.612 1
1 1175 . 9 1 1 A 93 93 HIS N N 93 121.742 119.744 1.998 1
1 1176 . 9 1 1 A 94 94 HIS H H 94 8.153 8.572 -0.419 1
1 1177 . 9 1 1 A 94 94 HIS HA H 94 4.141 4.774 -0.633 1
1 1180 . 9 1 1 A 94 94 HIS CA C 94 56.804 54.480 2.324 1
1 1181 . 9 1 1 A 94 94 HIS CB C 94 30.254 30.716 -0.462 1
1 1182 . 9 1 1 A 94 94 HIS N N 94 120.504 128.030 -7.526 1
1 1 . 10 1 1 A 2 2 TYR HA H 2 4.593 4.811 -0.218 1
1 8 . 10 1 1 A 2 2 TYR C C 2 174.805 175.694 -0.889 1
1 9 . 10 1 1 A 2 2 TYR CA C 2 57.884 56.062 1.822 1
1 10 . 10 1 1 A 2 2 TYR CB C 2 38.790 39.387 -0.597 1
1 15 . 10 1 1 A 3 3 LEU H H 3 8.189 8.376 -0.187 1
1 16 . 10 1 1 A 3 3 LEU HA H 3 4.268 3.890 0.378 1
1 25 . 10 1 1 A 3 3 LEU C C 3 176.110 176.131 -0.021 1
1 26 . 10 1 1 A 3 3 LEU CA C 3 54.574 57.544 -2.970 1
1 27 . 10 1 1 A 3 3 LEU CB C 3 42.796 39.846 2.950 1
1 30 . 10 1 1 A 3 3 LEU N N 3 126.201 124.597 1.604 1
1 31 . 10 1 1 A 4 4 LYS H H 4 8.132 8.653 -0.521 1
1 32 . 10 1 1 A 4 4 LYS HA H 4 4.336 4.314 0.022 1
1 35 . 10 1 1 A 4 4 LYS C C 4 175.828 175.888 -0.060 1
1 36 . 10 1 1 A 4 4 LYS CA C 4 56.186 56.252 -0.066 1
1 37 . 10 1 1 A 4 4 LYS CB C 4 33.084 32.622 0.462 1
1 38 . 10 1 1 A 4 4 LYS N N 4 123.332 119.384 3.948 1
1 39 . 10 1 1 A 5 5 ARG H H 5 8.537 8.611 -0.074 1
1 40 . 10 1 1 A 5 5 ARG HA H 5 4.327 4.776 -0.449 1
1 47 . 10 1 1 A 5 5 ARG C C 5 176.158 174.074 2.084 1
1 48 . 10 1 1 A 5 5 ARG CA C 5 56.076 55.157 0.919 1
1 49 . 10 1 1 A 5 5 ARG CB C 5 31.028 34.035 -3.007 1
1 52 . 10 1 1 A 5 5 ARG N N 5 124.828 125.748 -0.920 1
1 53 . 10 1 1 A 6 6 VAL H H 6 8.344 8.862 -0.518 1
1 54 . 10 1 1 A 6 6 VAL HA H 6 4.154 4.251 -0.097 1
1 62 . 10 1 1 A 6 6 VAL C C 6 175.662 176.309 -0.647 1
1 63 . 10 1 1 A 6 6 VAL CA C 6 61.973 61.718 0.255 1
1 64 . 10 1 1 A 6 6 VAL CB C 6 32.937 32.792 0.145 1
1 66 . 10 1 1 A 6 6 VAL N N 6 122.153 125.529 -3.376 1
1 67 . 10 1 1 A 7 7 ASP H H 7 8.469 8.684 -0.215 1
1 68 . 10 1 1 A 7 7 ASP HA H 7 4.681 4.396 0.285 1
1 71 . 10 1 1 A 7 7 ASP C C 7 176.217 177.166 -0.949 1
1 72 . 10 1 1 A 7 7 ASP CA C 7 54.202 56.967 -2.765 1
1 73 . 10 1 1 A 7 7 ASP CB C 7 41.583 41.076 0.507 1
1 74 . 10 1 1 A 7 7 ASP N N 7 124.555 127.756 -3.201 1
1 75 . 10 1 1 A 8 8 GLY H H 8 8.185 7.909 0.276 1
1 76 . 10 1 1 A 8 8 GLY HA2 H 8 4.184 4.194 -0.010 1
1 77 . 10 1 1 A 8 8 GLY HA3 H 8 4.070 4.195 -0.125 1
1 78 . 10 1 1 A 8 8 GLY C C 8 171.436 173.229 -1.793 1
1 79 . 10 1 1 A 8 8 GLY CA C 8 44.634 45.102 -0.468 1
1 80 . 10 1 1 A 8 8 GLY N N 8 109.085 105.740 3.345 1
1 81 . 10 1 1 A 9 9 PRO HA H 9 4.510 4.558 -0.048 1
1 88 . 10 1 1 A 9 9 PRO C C 9 176.784 177.165 -0.381 1
1 89 . 10 1 1 A 9 9 PRO CA C 9 62.869 63.223 -0.354 1
1 90 . 10 1 1 A 9 9 PRO CB C 9 32.364 32.574 -0.210 1
1 93 . 10 1 1 A 10 10 ARG H H 10 8.761 9.165 -0.404 1
1 94 . 10 1 1 A 10 10 ARG HA H 10 4.165 4.240 -0.075 1
1 99 . 10 1 1 A 10 10 ARG C C 10 175.911 176.179 -0.268 1
1 100 . 10 1 1 A 10 10 ARG CA C 10 57.463 57.658 -0.195 1
1 101 . 10 1 1 A 10 10 ARG CB C 10 31.030 31.256 -0.226 1
1 103 . 10 1 1 A 10 10 ARG N N 10 120.390 120.019 0.371 1
1 104 . 10 1 1 A 11 11 GLN H H 11 7.790 7.716 0.074 1
1 105 . 10 1 1 A 11 11 GLN HA H 11 5.173 4.909 0.264 1
1 112 . 10 1 1 A 11 11 GLN C C 11 173.893 173.669 0.224 1
1 113 . 10 1 1 A 11 11 GLN CA C 11 54.402 54.727 -0.325 1
1 114 . 10 1 1 A 11 11 GLN CB C 11 31.366 31.895 -0.529 1
1 116 . 10 1 1 A 11 11 GLN N N 11 114.694 114.964 -0.270 1
1 118 . 10 1 1 A 12 12 VAL H H 12 8.803 9.145 -0.342 1
1 119 . 10 1 1 A 12 12 VAL HA H 12 4.625 5.024 -0.399 1
1 127 . 10 1 1 A 12 12 VAL C C 12 173.796 174.680 -0.884 1
1 128 . 10 1 1 A 12 12 VAL CA C 12 60.127 59.450 0.677 1
1 129 . 10 1 1 A 12 12 VAL CB C 12 35.590 36.364 -0.774 1
1 132 . 10 1 1 A 12 12 VAL N N 12 115.575 117.940 -2.365 1
1 133 . 10 1 1 A 13 13 THR H H 13 8.553 8.425 0.128 1
1 134 . 10 1 1 A 13 13 THR HA H 13 4.772 5.018 -0.246 1
1 139 . 10 1 1 A 13 13 THR C C 13 174.526 173.643 0.883 1
1 140 . 10 1 1 A 13 13 THR CA C 13 61.880 60.919 0.961 1
1 141 . 10 1 1 A 13 13 THR CB C 13 69.319 71.615 -2.296 1
1 143 . 10 1 1 A 13 13 THR N N 13 119.282 115.177 4.105 1
1 144 . 10 1 1 A 14 14 LEU H H 14 9.254 8.940 0.314 1
1 145 . 10 1 1 A 14 14 LEU HA H 14 4.210 4.814 -0.604 1
1 155 . 10 1 1 A 14 14 LEU C C 14 177.361 176.805 0.556 1
1 156 . 10 1 1 A 14 14 LEU CA C 14 54.116 52.713 1.403 1
1 157 . 10 1 1 A 14 14 LEU CB C 14 39.546 42.042 -2.496 1
1 161 . 10 1 1 A 14 14 LEU N N 14 129.147 125.935 3.212 1
1 162 . 10 1 1 A 15 15 PRO HA H 15 4.294 4.525 -0.231 1
1 169 . 10 1 1 A 15 15 PRO C C 15 176.570 177.567 -0.997 1
1 170 . 10 1 1 A 15 15 PRO CA C 15 65.392 64.496 0.896 1
1 171 . 10 1 1 A 15 15 PRO CB C 15 31.808 31.774 0.034 1
1 174 . 10 1 1 A 16 16 ASP H H 16 7.397 8.087 -0.690 1
1 175 . 10 1 1 A 16 16 ASP HA H 16 4.486 4.709 -0.223 1
1 178 . 10 1 1 A 16 16 ASP C C 16 177.056 176.528 0.528 1
1 179 . 10 1 1 A 16 16 ASP CA C 16 53.157 53.791 -0.634 1
1 180 . 10 1 1 A 16 16 ASP CB C 16 39.987 40.847 -0.860 1
1 181 . 10 1 1 A 16 16 ASP N N 16 113.036 114.210 -1.174 1
1 182 . 10 1 1 A 17 17 GLY H H 17 8.399 8.032 0.367 1
1 183 . 10 1 1 A 17 17 GLY HA2 H 17 4.293 3.936 0.357 1
1 184 . 10 1 1 A 17 17 GLY HA3 H 17 3.481 3.942 -0.461 1
1 185 . 10 1 1 A 17 17 GLY C C 17 174.700 174.506 0.194 1
1 186 . 10 1 1 A 17 17 GLY CA C 17 44.998 45.031 -0.033 1
1 187 . 10 1 1 A 17 17 GLY N N 17 108.859 106.918 1.941 1
1 188 . 10 1 1 A 18 18 THR H H 18 8.003 7.771 0.232 1
1 189 . 10 1 1 A 18 18 THR HA H 18 4.151 4.499 -0.348 1
1 194 . 10 1 1 A 18 18 THR C C 18 172.576 173.817 -1.241 1
1 195 . 10 1 1 A 18 18 THR CA C 18 63.144 61.802 1.342 1
1 196 . 10 1 1 A 18 18 THR CB C 18 69.888 69.797 0.091 1
1 198 . 10 1 1 A 18 18 THR N N 18 116.015 117.184 -1.169 1
1 199 . 10 1 1 A 19 19 VAL H H 19 8.384 8.393 -0.009 1
1 200 . 10 1 1 A 19 19 VAL HA H 19 4.726 4.715 0.011 1
1 208 . 10 1 1 A 19 19 VAL C C 19 175.823 174.429 1.394 1
1 209 . 10 1 1 A 19 19 VAL CA C 19 61.491 61.053 0.438 1
1 210 . 10 1 1 A 19 19 VAL CB C 19 33.757 33.953 -0.196 1
1 213 . 10 1 1 A 19 19 VAL N N 19 121.723 122.153 -0.430 1
1 214 . 10 1 1 A 20 20 LEU H H 20 8.948 9.108 -0.160 1
1 215 . 10 1 1 A 20 20 LEU HA H 20 4.784 4.942 -0.158 1
1 225 . 10 1 1 A 20 20 LEU C C 20 174.749 175.369 -0.620 1
1 226 . 10 1 1 A 20 20 LEU CA C 20 53.616 53.803 -0.187 1
1 227 . 10 1 1 A 20 20 LEU CB C 20 45.062 44.401 0.661 1
1 231 . 10 1 1 A 20 20 LEU N N 20 129.673 130.140 -0.467 1
1 232 . 10 1 1 A 21 21 SER H H 21 9.246 8.888 0.358 1
1 233 . 10 1 1 A 21 21 SER HA H 21 5.207 4.802 0.405 1
1 236 . 10 1 1 A 21 21 SER C C 21 176.047 175.429 0.618 1
1 237 . 10 1 1 A 21 21 SER CA C 21 56.523 57.477 -0.954 1
1 238 . 10 1 1 A 21 21 SER CB C 21 66.369 64.732 1.637 1
1 239 . 10 1 1 A 21 21 SER N N 21 120.387 123.974 -3.587 1
1 240 . 10 1 1 A 22 22 ARG H H 22 8.847 9.074 -0.227 1
1 241 . 10 1 1 A 22 22 ARG HA H 22 3.868 4.186 -0.318 1
1 248 . 10 1 1 A 22 22 ARG C C 22 178.388 177.291 1.097 1
1 249 . 10 1 1 A 22 22 ARG CA C 22 60.207 59.134 1.073 1
1 250 . 10 1 1 A 22 22 ARG CB C 22 29.118 29.715 -0.597 1
1 253 . 10 1 1 A 22 22 ARG N N 22 122.878 124.730 -1.852 1
1 254 . 10 1 1 A 23 23 ALA H H 23 8.243 7.796 0.447 1
1 255 . 10 1 1 A 23 23 ALA HA H 23 4.175 4.216 -0.041 1
1 259 . 10 1 1 A 23 23 ALA C C 23 177.763 177.968 -0.205 1
1 260 . 10 1 1 A 23 23 ALA CA C 23 54.000 53.043 0.957 1
1 261 . 10 1 1 A 23 23 ALA CB C 23 18.461 19.169 -0.708 1
1 262 . 10 1 1 A 23 23 ALA N N 23 121.050 122.221 -1.171 1
1 263 . 10 1 1 A 24 24 ASP H H 24 7.597 7.930 -0.333 1
1 264 . 10 1 1 A 24 24 ASP HA H 24 4.632 4.717 -0.085 1
1 267 . 10 1 1 A 24 24 ASP C C 24 176.608 176.614 -0.006 1
1 268 . 10 1 1 A 24 24 ASP CA C 24 54.726 54.880 -0.154 1
1 269 . 10 1 1 A 24 24 ASP CB C 24 42.026 41.644 0.382 1
1 270 . 10 1 1 A 24 24 ASP N N 24 115.095 117.297 -2.202 1
1 271 . 10 1 1 A 25 25 LEU H H 25 7.311 7.420 -0.109 1
1 272 . 10 1 1 A 25 25 LEU HA H 25 4.402 4.494 -0.092 1
1 282 . 10 1 1 A 25 25 LEU C C 25 174.724 174.815 -0.091 1
1 283 . 10 1 1 A 25 25 LEU CA C 25 53.307 53.752 -0.445 1
1 284 . 10 1 1 A 25 25 LEU CB C 25 40.047 41.389 -1.342 1
1 288 . 10 1 1 A 25 25 LEU N N 25 119.781 122.811 -3.030 1
1 289 . 10 1 1 A 26 26 PRO HA H 26 4.745 4.679 0.066 1
1 296 . 10 1 1 A 26 26 PRO CA C 26 61.496 61.741 -0.245 1
1 297 . 10 1 1 A 26 26 PRO CB C 26 30.700 31.704 -1.004 1
1 300 . 10 1 1 A 27 27 PRO HA H 27 4.598 4.598 0.000 1
1 307 . 10 1 1 A 27 27 PRO C C 27 178.036 177.625 0.411 1
1 308 . 10 1 1 A 27 27 PRO CA C 27 62.923 62.816 0.107 1
1 309 . 10 1 1 A 27 27 PRO CB C 27 32.758 32.626 0.132 1
1 312 . 10 1 1 A 28 28 LEU H H 28 8.880 8.535 0.345 1
1 313 . 10 1 1 A 28 28 LEU HA H 28 4.177 4.263 -0.086 1
1 323 . 10 1 1 A 28 28 LEU C C 28 176.873 178.053 -1.180 1
1 324 . 10 1 1 A 28 28 LEU CA C 28 57.833 57.481 0.352 1
1 325 . 10 1 1 A 28 28 LEU CB C 28 41.291 41.392 -0.101 1
1 329 . 10 1 1 A 28 28 LEU N N 28 122.643 123.326 -0.683 1
1 330 . 10 1 1 A 29 29 ASP H H 29 8.203 8.201 0.002 1
1 331 . 10 1 1 A 29 29 ASP HA H 29 4.615 4.593 0.022 1
1 334 . 10 1 1 A 29 29 ASP C C 29 176.158 176.444 -0.286 1
1 335 . 10 1 1 A 29 29 ASP CA C 29 53.098 54.789 -1.691 1
1 336 . 10 1 1 A 29 29 ASP CB C 29 39.311 39.917 -0.606 1
1 337 . 10 1 1 A 29 29 ASP N N 29 115.741 115.185 0.556 1
1 338 . 10 1 1 A 30 30 THR H H 30 7.516 7.390 0.126 1
1 339 . 10 1 1 A 30 30 THR HA H 30 3.599 4.065 -0.466 1
1 344 . 10 1 1 A 30 30 THR C C 30 174.366 174.039 0.327 1
1 345 . 10 1 1 A 30 30 THR CA C 30 65.815 63.324 2.491 1
1 346 . 10 1 1 A 30 30 THR CB C 30 69.989 67.851 2.138 1
1 348 . 10 1 1 A 30 30 THR N N 30 116.808 115.823 0.985 1
1 349 . 10 1 1 A 31 31 ARG H H 31 8.482 8.524 -0.042 1
1 350 . 10 1 1 A 31 31 ARG HA H 31 4.583 4.346 0.237 1
1 358 . 10 1 1 A 31 31 ARG CA C 31 55.399 57.042 -1.643 1
1 359 . 10 1 1 A 31 31 ARG CB C 31 32.296 31.203 1.093 1
1 362 . 10 1 1 A 31 31 ARG N N 31 124.991 128.097 -3.106 1
1 364 . 10 1 1 A 32 32 ARG HA H 32 4.523 4.352 0.171 1
1 372 . 10 1 1 A 32 32 ARG C C 32 175.341 174.199 1.142 1
1 373 . 10 1 1 A 32 32 ARG CA C 32 54.759 55.007 -0.248 1
1 374 . 10 1 1 A 32 32 ARG CB C 32 30.348 28.805 1.543 1
1 378 . 10 1 1 A 33 33 TRP H H 33 8.923 8.648 0.275 1
1 379 . 10 1 1 A 33 33 TRP HA H 33 4.292 4.803 -0.511 1
1 388 . 10 1 1 A 33 33 TRP C C 33 176.208 176.351 -0.143 1
1 389 . 10 1 1 A 33 33 TRP CA C 33 56.923 57.995 -1.072 1
1 390 . 10 1 1 A 33 33 TRP CB C 33 28.492 30.094 -1.602 1
1 396 . 10 1 1 A 33 33 TRP N N 33 128.804 126.945 1.859 1
1 398 . 10 1 1 A 34 34 VAL H H 34 6.953 8.816 -1.863 1
1 399 . 10 1 1 A 34 34 VAL HA H 34 4.451 4.665 -0.214 1
1 407 . 10 1 1 A 34 34 VAL C C 34 177.217 176.870 0.347 1
1 408 . 10 1 1 A 34 34 VAL CA C 34 60.180 59.350 0.830 1
1 409 . 10 1 1 A 34 34 VAL CB C 34 32.686 34.844 -2.158 1
1 412 . 10 1 1 A 34 34 VAL N N 34 114.683 119.263 -4.580 1
1 413 . 10 1 1 A 35 35 ALA HA H 35 3.745 3.861 -0.116 1
1 417 . 10 1 1 A 35 35 ALA C C 35 180.114 179.455 0.659 1
1 418 . 10 1 1 A 35 35 ALA CA C 35 56.618 55.441 1.177 1
1 419 . 10 1 1 A 35 35 ALA CB C 35 18.334 18.130 0.204 1
1 420 . 10 1 1 A 36 36 SER H H 36 8.841 7.937 0.904 1
1 421 . 10 1 1 A 36 36 SER HA H 36 4.140 4.065 0.075 1
1 424 . 10 1 1 A 36 36 SER C C 36 177.291 176.650 0.641 1
1 425 . 10 1 1 A 36 36 SER CA C 36 61.250 61.110 0.140 1
1 426 . 10 1 1 A 36 36 SER CB C 36 61.673 63.131 -1.458 1
1 427 . 10 1 1 A 36 36 SER N N 36 111.913 113.266 -1.353 1
1 428 . 10 1 1 A 37 37 ARG H H 37 7.183 7.213 -0.030 1
1 429 . 10 1 1 A 37 37 ARG HA H 37 4.349 4.199 0.150 1
1 436 . 10 1 1 A 37 37 ARG C C 37 177.816 178.849 -1.033 1
1 437 . 10 1 1 A 37 37 ARG CA C 37 58.944 58.383 0.561 1
1 438 . 10 1 1 A 37 37 ARG CB C 37 31.009 29.773 1.236 1
1 441 . 10 1 1 A 37 37 ARG N N 37 123.504 121.498 2.006 1
1 442 . 10 1 1 A 38 38 LYS H H 38 7.514 8.116 -0.602 1
1 443 . 10 1 1 A 38 38 LYS HA H 38 3.592 3.403 0.189 1
1 452 . 10 1 1 A 38 38 LYS C C 38 178.935 179.150 -0.215 1
1 453 . 10 1 1 A 38 38 LYS CA C 38 59.846 59.059 0.787 1
1 454 . 10 1 1 A 38 38 LYS CB C 38 33.310 31.537 1.773 1
1 458 . 10 1 1 A 38 38 LYS N N 38 118.200 119.729 -1.529 1
1 459 . 10 1 1 A 39 39 ALA H H 39 8.131 8.228 -0.097 1
1 460 . 10 1 1 A 39 39 ALA HA H 39 3.865 4.032 -0.167 1
1 464 . 10 1 1 A 39 39 ALA C C 39 178.995 179.846 -0.851 1
1 465 . 10 1 1 A 39 39 ALA CA C 39 55.093 54.832 0.261 1
1 466 . 10 1 1 A 39 39 ALA CB C 39 18.124 18.053 0.071 1
1 467 . 10 1 1 A 39 39 ALA N N 39 117.547 122.145 -4.598 1
1 468 . 10 1 1 A 40 40 ALA H H 40 7.375 7.822 -0.447 1
1 469 . 10 1 1 A 40 40 ALA HA H 40 4.134 4.159 -0.025 1
1 473 . 10 1 1 A 40 40 ALA C C 40 179.512 180.114 -0.602 1
1 474 . 10 1 1 A 40 40 ALA CA C 40 55.506 55.339 0.167 1
1 475 . 10 1 1 A 40 40 ALA CB C 40 18.473 18.113 0.360 1
1 476 . 10 1 1 A 40 40 ALA N N 40 119.346 120.421 -1.075 1
1 477 . 10 1 1 A 41 41 VAL H H 41 7.382 7.806 -0.424 1
1 478 . 10 1 1 A 41 41 VAL HA H 41 3.642 3.770 -0.128 1
1 486 . 10 1 1 A 41 41 VAL C C 41 177.423 178.194 -0.771 1
1 487 . 10 1 1 A 41 41 VAL CA C 41 67.279 67.040 0.239 1
1 488 . 10 1 1 A 41 41 VAL CB C 41 32.149 31.804 0.345 1
1 491 . 10 1 1 A 41 41 VAL N N 41 116.434 118.451 -2.017 1
1 492 . 10 1 1 A 42 42 VAL H H 42 8.332 8.317 0.015 1
1 493 . 10 1 1 A 42 42 VAL HA H 42 3.723 3.936 -0.213 1
1 501 . 10 1 1 A 42 42 VAL C C 42 178.381 178.096 0.285 1
1 502 . 10 1 1 A 42 42 VAL CA C 42 67.698 65.411 2.287 1
1 503 . 10 1 1 A 42 42 VAL CB C 42 32.170 31.137 1.033 1
1 506 . 10 1 1 A 42 42 VAL N N 42 118.061 120.484 -2.423 1
1 507 . 10 1 1 A 43 43 LYS H H 43 8.973 8.179 0.794 1
1 508 . 10 1 1 A 43 43 LYS HA H 43 3.977 4.010 -0.033 1
1 517 . 10 1 1 A 43 43 LYS C C 43 177.830 179.323 -1.493 1
1 518 . 10 1 1 A 43 43 LYS CA C 43 60.343 59.486 0.857 1
1 519 . 10 1 1 A 43 43 LYS CB C 43 32.863 32.141 0.722 1
1 523 . 10 1 1 A 43 43 LYS N N 43 118.026 122.677 -4.651 1
1 524 . 10 1 1 A 44 44 ALA H H 44 7.959 7.908 0.051 1
1 525 . 10 1 1 A 44 44 ALA HA H 44 3.968 4.115 -0.147 1
1 529 . 10 1 1 A 44 44 ALA C C 44 178.921 180.032 -1.111 1
1 530 . 10 1 1 A 44 44 ALA CA C 44 55.324 55.307 0.017 1
1 531 . 10 1 1 A 44 44 ALA CB C 44 19.816 18.397 1.419 1
1 532 . 10 1 1 A 44 44 ALA N N 44 119.893 122.590 -2.697 1
1 533 . 10 1 1 A 45 45 VAL H H 45 7.789 7.712 0.077 1
1 534 . 10 1 1 A 45 45 VAL HA H 45 4.494 3.961 0.533 1
1 542 . 10 1 1 A 45 45 VAL C C 45 180.590 178.351 2.239 1
1 543 . 10 1 1 A 45 45 VAL CA C 45 64.383 66.976 -2.593 1
1 544 . 10 1 1 A 45 45 VAL CB C 45 32.456 31.444 1.012 1
1 547 . 10 1 1 A 45 45 VAL N N 45 118.569 117.751 0.818 1
1 548 . 10 1 1 A 46 46 ILE H H 46 8.945 8.125 0.820 1
1 549 . 10 1 1 A 46 46 ILE HA H 46 3.689 3.792 -0.103 1
1 559 . 10 1 1 A 46 46 ILE C C 46 178.437 177.563 0.874 1
1 560 . 10 1 1 A 46 46 ILE CA C 46 65.391 64.278 1.113 1
1 561 . 10 1 1 A 46 46 ILE CB C 46 38.182 37.242 0.940 1
1 565 . 10 1 1 A 46 46 ILE N N 46 121.331 119.694 1.637 1
1 566 . 10 1 1 A 47 47 HIS H H 47 8.030 7.498 0.532 1
1 567 . 10 1 1 A 47 47 HIS HA H 47 4.663 4.628 0.035 1
1 572 . 10 1 1 A 47 47 HIS C C 47 175.308 175.363 -0.055 1
1 573 . 10 1 1 A 47 47 HIS CA C 47 56.736 55.939 0.797 1
1 574 . 10 1 1 A 47 47 HIS CB C 47 29.482 30.021 -0.539 1
1 577 . 10 1 1 A 47 47 HIS N N 47 113.700 117.499 -3.799 1
1 578 . 10 1 1 A 48 48 GLY H H 48 7.543 7.790 -0.247 1
1 579 . 10 1 1 A 48 48 GLY HA2 H 48 4.026 3.953 0.073 1
1 580 . 10 1 1 A 48 48 GLY HA3 H 48 3.904 3.960 -0.056 1
1 581 . 10 1 1 A 48 48 GLY C C 48 175.172 175.124 0.048 1
1 582 . 10 1 1 A 48 48 GLY CA C 48 46.740 46.474 0.266 1
1 583 . 10 1 1 A 48 48 GLY N N 48 106.113 107.708 -1.595 1
1 584 . 10 1 1 A 49 49 LEU H H 49 8.803 8.138 0.665 1
1 585 . 10 1 1 A 49 49 LEU HA H 49 4.090 4.136 -0.046 1
1 595 . 10 1 1 A 49 49 LEU C C 49 176.111 176.394 -0.283 1
1 596 . 10 1 1 A 49 49 LEU CA C 49 57.575 57.466 0.109 1
1 597 . 10 1 1 A 49 49 LEU CB C 49 42.969 42.793 0.176 1
1 601 . 10 1 1 A 49 49 LEU N N 49 122.636 121.878 0.758 1
1 602 . 10 1 1 A 50 50 ILE H H 50 7.257 7.314 -0.057 1
1 603 . 10 1 1 A 50 50 ILE HA H 50 4.689 4.841 -0.152 1
1 613 . 10 1 1 A 50 50 ILE C C 50 174.994 174.582 0.412 1
1 614 . 10 1 1 A 50 50 ILE CA C 50 58.262 58.799 -0.537 1
1 615 . 10 1 1 A 50 50 ILE CB C 50 41.641 41.520 0.121 1
1 619 . 10 1 1 A 50 50 ILE N N 50 107.650 114.509 -6.859 1
1 620 . 10 1 1 A 51 51 THR H H 51 8.677 8.427 0.250 1
1 621 . 10 1 1 A 51 51 THR HA H 51 4.466 4.567 -0.101 1
1 627 . 10 1 1 A 51 51 THR C C 51 175.227 175.100 0.127 1
1 628 . 10 1 1 A 51 51 THR CA C 51 60.728 60.743 -0.015 1
1 629 . 10 1 1 A 51 51 THR CB C 51 71.216 70.147 1.069 1
1 631 . 10 1 1 A 51 51 THR N N 51 111.798 116.946 -5.148 1
1 632 . 10 1 1 A 52 52 GLU H H 52 9.034 8.995 0.039 1
1 633 . 10 1 1 A 52 52 GLU HA H 52 3.507 3.658 -0.151 1
1 638 . 10 1 1 A 52 52 GLU C C 52 177.287 177.677 -0.390 1
1 639 . 10 1 1 A 52 52 GLU CA C 52 60.515 59.761 0.754 1
1 640 . 10 1 1 A 52 52 GLU CB C 52 29.418 29.105 0.313 1
1 642 . 10 1 1 A 52 52 GLU N N 52 122.067 125.831 -3.764 1
1 643 . 10 1 1 A 53 53 ARG H H 53 8.213 7.561 0.652 1
1 644 . 10 1 1 A 53 53 ARG HA H 53 3.740 3.977 -0.237 1
1 652 . 10 1 1 A 53 53 ARG C C 53 177.698 178.640 -0.942 1
1 653 . 10 1 1 A 53 53 ARG CA C 53 58.635 59.253 -0.618 1
1 654 . 10 1 1 A 53 53 ARG CB C 53 30.257 29.900 0.357 1
1 658 . 10 1 1 A 53 53 ARG N N 53 116.853 120.148 -3.295 1
1 660 . 10 1 1 A 54 54 GLU H H 54 7.747 7.932 -0.185 1
1 661 . 10 1 1 A 54 54 GLU HA H 54 3.978 4.060 -0.082 1
1 666 . 10 1 1 A 54 54 GLU C C 54 178.915 178.285 0.630 1
1 667 . 10 1 1 A 54 54 GLU CA C 54 59.312 59.203 0.109 1
1 668 . 10 1 1 A 54 54 GLU CB C 54 29.678 29.340 0.338 1
1 670 . 10 1 1 A 54 54 GLU N N 54 118.040 119.123 -1.083 1
1 671 . 10 1 1 A 55 55 ALA H H 55 7.932 7.989 -0.057 1
1 672 . 10 1 1 A 55 55 ALA HA H 55 3.694 4.194 -0.500 1
1 676 . 10 1 1 A 55 55 ALA C C 55 178.383 180.242 -1.859 1
1 677 . 10 1 1 A 55 55 ALA CA C 55 55.871 55.292 0.579 1
1 678 . 10 1 1 A 55 55 ALA CB C 55 17.664 17.922 -0.258 1
1 679 . 10 1 1 A 55 55 ALA N N 55 122.121 122.775 -0.654 1
1 680 . 10 1 1 A 56 56 LEU H H 56 8.110 7.851 0.259 1
1 681 . 10 1 1 A 56 56 LEU HA H 56 3.605 3.929 -0.324 1
1 691 . 10 1 1 A 56 56 LEU C C 56 180.273 179.360 0.913 1
1 692 . 10 1 1 A 56 56 LEU CA C 56 58.167 57.708 0.459 1
1 693 . 10 1 1 A 56 56 LEU CB C 56 39.563 41.032 -1.469 1
1 697 . 10 1 1 A 56 56 LEU N N 56 114.908 118.434 -3.526 1
1 698 . 10 1 1 A 57 57 ASP H H 57 8.080 7.952 0.128 1
1 699 . 10 1 1 A 57 57 ASP HA H 57 4.353 4.293 0.060 1
1 702 . 10 1 1 A 57 57 ASP C C 57 179.121 178.567 0.554 1
1 703 . 10 1 1 A 57 57 ASP CA C 57 56.644 57.325 -0.681 1
1 704 . 10 1 1 A 57 57 ASP CB C 57 40.909 41.191 -0.282 1
1 705 . 10 1 1 A 57 57 ASP N N 57 117.019 119.650 -2.631 1
1 706 . 10 1 1 A 58 58 ARG H H 58 8.584 8.670 -0.086 1
1 707 . 10 1 1 A 58 58 ARG HA H 58 3.728 3.984 -0.256 1
1 715 . 10 1 1 A 58 58 ARG C C 58 177.362 176.697 0.665 1
1 716 . 10 1 1 A 58 58 ARG CA C 58 59.141 58.601 0.540 1
1 717 . 10 1 1 A 58 58 ARG CB C 58 30.462 30.012 0.450 1
1 720 . 10 1 1 A 58 58 ARG N N 58 119.926 117.963 1.963 1
1 722 . 10 1 1 A 59 59 TYR H H 59 7.133 7.452 -0.319 1
1 723 . 10 1 1 A 59 59 TYR HA H 59 5.018 4.739 0.279 1
1 730 . 10 1 1 A 59 59 TYR C C 59 173.865 174.856 -0.991 1
1 731 . 10 1 1 A 59 59 TYR CA C 59 57.348 57.886 -0.538 1
1 732 . 10 1 1 A 59 59 TYR CB C 59 38.052 39.341 -1.289 1
1 737 . 10 1 1 A 59 59 TYR N N 59 111.796 118.217 -6.421 1
1 738 . 10 1 1 A 60 60 SER H H 60 7.542 7.722 -0.180 1
1 739 . 10 1 1 A 60 60 SER HA H 60 4.082 4.160 -0.078 1
1 742 . 10 1 1 A 60 60 SER C C 60 176.402 173.340 3.062 1
1 743 . 10 1 1 A 60 60 SER CA C 60 58.482 59.010 -0.528 1
1 744 . 10 1 1 A 60 60 SER CB C 60 61.229 61.319 -0.090 1
1 745 . 10 1 1 A 60 60 SER N N 60 114.624 112.613 2.011 1
1 746 . 10 1 1 A 61 61 LEU H H 61 8.228 7.985 0.243 1
1 747 . 10 1 1 A 61 61 LEU HA H 61 4.583 4.936 -0.353 1
1 757 . 10 1 1 A 61 61 LEU C C 61 176.463 175.447 1.016 1
1 758 . 10 1 1 A 61 61 LEU CA C 61 52.478 53.117 -0.639 1
1 759 . 10 1 1 A 61 61 LEU CB C 61 45.873 44.852 1.021 1
1 763 . 10 1 1 A 61 61 LEU N N 61 119.424 120.480 -1.056 1
1 764 . 10 1 1 A 62 62 SER H H 62 8.376 8.368 0.008 1
1 765 . 10 1 1 A 62 62 SER HA H 62 4.555 4.841 -0.286 1
1 768 . 10 1 1 A 62 62 SER C C 62 175.088 174.242 0.846 1
1 769 . 10 1 1 A 62 62 SER CA C 62 56.123 57.230 -1.107 1
1 770 . 10 1 1 A 62 62 SER CB C 62 65.560 67.150 -1.590 1
1 771 . 10 1 1 A 62 62 SER N N 62 115.890 116.241 -0.351 1
1 772 . 10 1 1 A 63 63 GLU H H 63 9.204 9.121 0.083 1
1 773 . 10 1 1 A 63 63 GLU HA H 63 3.806 3.966 -0.160 1
1 778 . 10 1 1 A 63 63 GLU C C 63 179.412 178.431 0.981 1
1 779 . 10 1 1 A 63 63 GLU CA C 63 60.338 60.048 0.290 1
1 780 . 10 1 1 A 63 63 GLU CB C 63 29.354 29.278 0.076 1
1 782 . 10 1 1 A 63 63 GLU N N 63 122.263 124.388 -2.125 1
1 783 . 10 1 1 A 64 64 GLU H H 64 8.859 8.377 0.482 1
1 784 . 10 1 1 A 64 64 GLU HA H 64 3.969 4.053 -0.084 1
1 789 . 10 1 1 A 64 64 GLU C C 64 178.700 178.613 0.087 1
1 790 . 10 1 1 A 64 64 GLU CA C 64 59.822 59.337 0.485 1
1 791 . 10 1 1 A 64 64 GLU CB C 64 29.210 29.347 -0.137 1
1 793 . 10 1 1 A 64 64 GLU N N 64 119.056 118.202 0.854 1
1 794 . 10 1 1 A 65 65 GLU H H 65 7.864 7.700 0.164 1
1 795 . 10 1 1 A 65 65 GLU HA H 65 3.960 3.961 -0.001 1
1 800 . 10 1 1 A 65 65 GLU C C 65 177.783 178.476 -0.693 1
1 801 . 10 1 1 A 65 65 GLU CA C 65 58.817 59.251 -0.434 1
1 802 . 10 1 1 A 65 65 GLU CB C 65 29.452 29.207 0.245 1
1 804 . 10 1 1 A 65 65 GLU N N 65 121.783 120.015 1.768 1
1 805 . 10 1 1 A 66 66 PHE H H 66 7.918 7.780 0.138 1
1 806 . 10 1 1 A 66 66 PHE HA H 66 3.294 3.546 -0.252 1
1 814 . 10 1 1 A 66 66 PHE C C 66 177.021 177.675 -0.654 1
1 815 . 10 1 1 A 66 66 PHE CA C 66 61.197 61.248 -0.051 1
1 816 . 10 1 1 A 66 66 PHE CB C 66 39.279 38.924 0.355 1
1 820 . 10 1 1 A 66 66 PHE N N 66 117.902 119.979 -2.077 1
1 821 . 10 1 1 A 67 67 ALA H H 67 8.011 8.685 -0.674 1
1 822 . 10 1 1 A 67 67 ALA HA H 67 3.839 4.085 -0.246 1
1 826 . 10 1 1 A 67 67 ALA C C 67 181.069 180.103 0.966 1
1 827 . 10 1 1 A 67 67 ALA CA C 67 55.296 55.153 0.143 1
1 828 . 10 1 1 A 67 67 ALA CB C 67 17.648 18.086 -0.438 1
1 829 . 10 1 1 A 67 67 ALA N N 67 119.951 121.269 -1.318 1
1 830 . 10 1 1 A 68 68 LEU H H 68 7.431 7.983 -0.552 1
1 831 . 10 1 1 A 68 68 LEU HA H 68 4.162 4.057 0.105 1
1 841 . 10 1 1 A 68 68 LEU C C 68 180.631 179.387 1.244 1
1 842 . 10 1 1 A 68 68 LEU CA C 68 57.621 57.859 -0.238 1
1 843 . 10 1 1 A 68 68 LEU CB C 68 41.083 42.232 -1.149 1
1 847 . 10 1 1 A 68 68 LEU N N 68 119.888 119.605 0.283 1
1 848 . 10 1 1 A 69 69 TRP H H 69 8.288 8.175 0.113 1
1 849 . 10 1 1 A 69 69 TRP HA H 69 4.341 4.235 0.106 1
1 858 . 10 1 1 A 69 69 TRP C C 69 179.178 179.212 -0.034 1
1 859 . 10 1 1 A 69 69 TRP CA C 69 59.228 60.125 -0.897 1
1 860 . 10 1 1 A 69 69 TRP CB C 69 28.387 28.712 -0.325 1
1 866 . 10 1 1 A 69 69 TRP N N 69 122.616 118.704 3.912 1
1 868 . 10 1 1 A 70 70 ARG H H 70 8.291 8.258 0.033 1
1 869 . 10 1 1 A 70 70 ARG HA H 70 3.743 3.977 -0.234 1
1 877 . 10 1 1 A 70 70 ARG C C 70 178.811 178.303 0.508 1
1 878 . 10 1 1 A 70 70 ARG CA C 70 59.614 58.672 0.942 1
1 879 . 10 1 1 A 70 70 ARG CB C 70 30.171 29.794 0.377 1
1 882 . 10 1 1 A 70 70 ARG N N 70 117.864 118.370 -0.506 1
1 884 . 10 1 1 A 71 71 SER H H 71 8.000 7.652 0.348 1
1 885 . 10 1 1 A 71 71 SER HA H 71 4.212 4.223 -0.011 1
1 888 . 10 1 1 A 71 71 SER C C 71 176.074 176.986 -0.912 1
1 889 . 10 1 1 A 71 71 SER CA C 71 61.074 61.394 -0.320 1
1 890 . 10 1 1 A 71 71 SER CB C 71 62.891 63.093 -0.202 1
1 891 . 10 1 1 A 71 71 SER N N 71 114.582 115.223 -0.641 1
1 892 . 10 1 1 A 72 72 ALA H H 72 7.816 7.736 0.080 1
1 893 . 10 1 1 A 72 72 ALA HA H 72 4.230 4.329 -0.099 1
1 897 . 10 1 1 A 72 72 ALA C C 72 179.631 179.941 -0.310 1
1 898 . 10 1 1 A 72 72 ALA CA C 72 54.245 54.311 -0.066 1
1 899 . 10 1 1 A 72 72 ALA CB C 72 18.687 19.096 -0.409 1
1 900 . 10 1 1 A 72 72 ALA N N 72 124.141 122.344 1.797 1
1 901 . 10 1 1 A 73 73 VAL H H 73 7.728 8.144 -0.416 1
1 902 . 10 1 1 A 73 73 VAL HA H 73 3.850 3.644 0.206 1
1 910 . 10 1 1 A 73 73 VAL C C 73 177.286 177.988 -0.702 1
1 911 . 10 1 1 A 73 73 VAL CA C 73 64.163 66.068 -1.905 1
1 912 . 10 1 1 A 73 73 VAL CB C 73 32.466 31.968 0.498 1
1 915 . 10 1 1 A 73 73 VAL N N 73 117.289 118.549 -1.260 1
1 916 . 10 1 1 A 74 74 ALA H H 74 7.960 7.937 0.023 1
1 917 . 10 1 1 A 74 74 ALA HA H 74 4.195 4.166 0.029 1
1 921 . 10 1 1 A 74 74 ALA C C 74 178.318 179.136 -0.818 1
1 922 . 10 1 1 A 74 74 ALA CA C 74 53.559 55.297 -1.738 1
1 923 . 10 1 1 A 74 74 ALA CB C 74 18.612 18.271 0.341 1
1 924 . 10 1 1 A 74 74 ALA N N 74 123.977 121.773 2.204 1
1 925 . 10 1 1 A 75 75 ALA H H 75 7.889 7.492 0.397 1
1 926 . 10 1 1 A 75 75 ALA HA H 75 4.214 4.804 -0.590 1
1 930 . 10 1 1 A 75 75 ALA C C 75 178.233 177.536 0.697 1
1 931 . 10 1 1 A 75 75 ALA CA C 75 53.242 52.243 0.999 1
1 932 . 10 1 1 A 75 75 ALA CB C 75 18.812 18.846 -0.034 1
1 933 . 10 1 1 A 75 75 ALA N N 75 120.956 119.315 1.641 1
1 934 . 10 1 1 A 76 76 HIS H H 76 8.057 7.424 0.633 1
1 935 . 10 1 1 A 76 76 HIS HA H 76 4.585 4.279 0.306 1
1 939 . 10 1 1 A 76 76 HIS C C 76 176.217 176.904 -0.687 1
1 940 . 10 1 1 A 76 76 HIS CA C 76 56.644 58.339 -1.695 1
1 941 . 10 1 1 A 76 76 HIS CB C 76 30.282 30.395 -0.113 1
1 943 . 10 1 1 A 76 76 HIS N N 76 117.302 117.679 -0.377 1
1 944 . 10 1 1 A 77 77 GLY H H 77 8.229 8.392 -0.163 1
1 945 . 10 1 1 A 77 77 GLY HA2 H 77 3.951 3.863 0.088 1
1 946 . 10 1 1 A 77 77 GLY HA3 H 77 3.951 3.867 0.084 1
1 947 . 10 1 1 A 77 77 GLY C C 77 174.415 175.564 -1.149 1
1 948 . 10 1 1 A 77 77 GLY CA C 77 45.560 46.983 -1.423 1
1 949 . 10 1 1 A 77 77 GLY N N 77 109.118 105.833 3.285 1
1 950 . 10 1 1 A 78 78 GLU H H 78 8.335 8.145 0.190 1
1 951 . 10 1 1 A 78 78 GLU HA H 78 4.210 4.242 -0.032 1
1 956 . 10 1 1 A 78 78 GLU C C 78 177.052 177.309 -0.257 1
1 957 . 10 1 1 A 78 78 GLU CA C 78 56.836 58.382 -1.546 1
1 958 . 10 1 1 A 78 78 GLU CB C 78 30.136 29.538 0.598 1
1 960 . 10 1 1 A 78 78 GLU N N 78 120.947 119.880 1.067 1
1 961 . 10 1 1 A 79 79 LYS H H 79 8.299 7.730 0.569 1
1 962 . 10 1 1 A 79 79 LYS HA H 79 4.205 4.159 0.046 1
1 971 . 10 1 1 A 79 79 LYS C C 79 176.656 176.809 -0.153 1
1 972 . 10 1 1 A 79 79 LYS CA C 79 57.057 56.814 0.243 1
1 973 . 10 1 1 A 79 79 LYS CB C 79 32.811 33.213 -0.402 1
1 977 . 10 1 1 A 79 79 LYS N N 79 121.638 117.754 3.884 1
1 978 . 10 1 1 A 80 80 ALA H H 80 8.142 7.557 0.585 1
1 979 . 10 1 1 A 80 80 ALA HA H 80 4.245 4.583 -0.338 1
1 983 . 10 1 1 A 80 80 ALA C C 80 177.868 176.033 1.835 1
1 984 . 10 1 1 A 80 80 ALA CA C 80 52.706 51.669 1.037 1
1 985 . 10 1 1 A 80 80 ALA CB C 80 19.117 20.291 -1.174 1
1 986 . 10 1 1 A 80 80 ALA N N 80 123.770 119.503 4.267 1
1 987 . 10 1 1 A 81 81 LEU H H 81 8.040 9.028 -0.988 1
1 988 . 10 1 1 A 81 81 LEU HA H 81 4.245 4.661 -0.416 1
1 998 . 10 1 1 A 81 81 LEU C C 81 177.434 176.044 1.390 1
1 999 . 10 1 1 A 81 81 LEU CA C 81 55.673 54.514 1.159 1
1 1000 . 10 1 1 A 81 81 LEU CB C 81 42.160 40.562 1.598 1
1 1004 . 10 1 1 A 81 81 LEU N N 81 120.893 125.156 -4.263 1
1 1005 . 10 1 1 A 82 82 LYS H H 82 8.178 8.349 -0.171 1
1 1006 . 10 1 1 A 82 82 LYS HA H 82 4.283 4.248 0.035 1
1 1015 . 10 1 1 A 82 82 LYS C C 82 176.810 177.854 -1.044 1
1 1016 . 10 1 1 A 82 82 LYS CA C 82 56.715 56.254 0.461 1
1 1017 . 10 1 1 A 82 82 LYS CB C 82 32.846 34.022 -1.176 1
1 1021 . 10 1 1 A 82 82 LYS N N 82 121.957 124.797 -2.840 1
1 1022 . 10 1 1 A 83 83 VAL H H 83 8.123 8.533 -0.410 1
1 1023 . 10 1 1 A 83 83 VAL HA H 83 4.093 3.836 0.257 1
1 1031 . 10 1 1 A 83 83 VAL C C 83 176.604 177.598 -0.994 1
1 1032 . 10 1 1 A 83 83 VAL CA C 83 62.964 65.472 -2.508 1
1 1033 . 10 1 1 A 83 83 VAL CB C 83 32.742 31.739 1.003 1
1 1036 . 10 1 1 A 83 83 VAL N N 83 121.150 127.189 -6.039 1
1 1037 . 10 1 1 A 84 84 THR H H 84 8.162 8.165 -0.003 1
1 1038 . 10 1 1 A 84 84 THR HA H 84 4.276 3.911 0.365 1
1 1043 . 10 1 1 A 84 84 THR C C 84 174.773 177.227 -2.454 1
1 1044 . 10 1 1 A 84 84 THR CA C 84 62.558 66.454 -3.896 1
1 1045 . 10 1 1 A 84 84 THR CB C 84 69.726 68.278 1.448 1
1 1047 . 10 1 1 A 84 84 THR N N 84 117.587 117.005 0.582 1
1 1048 . 10 1 1 A 85 85 MET H H 85 8.353 8.262 0.091 1
1 1049 . 10 1 1 A 85 85 MET HA H 85 4.448 3.889 0.559 1
1 1054 . 10 1 1 A 85 85 MET C C 85 176.518 178.531 -2.013 1
1 1055 . 10 1 1 A 85 85 MET CA C 85 56.074 58.265 -2.191 1
1 1056 . 10 1 1 A 85 85 MET CB C 85 32.837 32.298 0.539 1
1 1058 . 10 1 1 A 85 85 MET N N 85 122.707 117.990 4.717 1
1 1059 . 10 1 1 A 86 86 ILE H H 86 8.113 7.709 0.404 1
1 1060 . 10 1 1 A 86 86 ILE HA H 86 4.061 3.648 0.413 1
1 1070 . 10 1 1 A 86 86 ILE C C 86 176.712 177.731 -1.019 1
1 1071 . 10 1 1 A 86 86 ILE CA C 86 62.006 64.989 -2.983 1
1 1072 . 10 1 1 A 86 86 ILE CB C 86 38.402 37.627 0.775 1
1 1076 . 10 1 1 A 86 86 ILE N N 86 121.834 119.504 2.330 1
1 1077 . 10 1 1 A 87 87 GLN H H 87 8.328 7.812 0.516 1
1 1078 . 10 1 1 A 87 87 GLN HA H 87 4.190 4.002 0.188 1
1 1085 . 10 1 1 A 87 87 GLN C C 87 176.617 178.611 -1.994 1
1 1086 . 10 1 1 A 87 87 GLN CA C 87 56.798 59.264 -2.466 1
1 1087 . 10 1 1 A 87 87 GLN CB C 87 29.044 28.153 0.891 1
1 1089 . 10 1 1 A 87 87 GLN N N 87 123.529 120.291 3.238 1
1 1091 . 10 1 1 A 88 88 LYS H H 88 8.232 7.658 0.574 1
1 1092 . 10 1 1 A 88 88 LYS HA H 88 4.133 4.019 0.114 1
1 1101 . 10 1 1 A 88 88 LYS C C 88 176.983 179.209 -2.226 1
1 1102 . 10 1 1 A 88 88 LYS CA C 88 57.289 58.695 -1.406 1
1 1103 . 10 1 1 A 88 88 LYS CB C 88 32.806 32.128 0.678 1
1 1107 . 10 1 1 A 88 88 LYS N N 88 121.677 118.953 2.724 1
1 1108 . 10 1 1 A 89 89 TYR H H 89 8.086 8.003 0.083 1
1 1109 . 10 1 1 A 89 89 TYR HA H 89 4.492 4.202 0.290 1
1 1116 . 10 1 1 A 89 89 TYR C C 89 176.250 178.643 -2.393 1
1 1117 . 10 1 1 A 89 89 TYR CA C 89 58.546 60.783 -2.237 1
1 1118 . 10 1 1 A 89 89 TYR CB C 89 38.410 38.103 0.307 1
1 1123 . 10 1 1 A 89 89 TYR N N 89 119.993 119.887 0.106 1
1 1124 . 10 1 1 A 90 90 ARG H H 90 8.127 8.028 0.099 1
1 1125 . 10 1 1 A 90 90 ARG HA H 90 4.119 4.145 -0.026 1
1 1132 . 10 1 1 A 90 90 ARG C C 90 176.628 178.570 -1.942 1
1 1133 . 10 1 1 A 90 90 ARG CA C 90 57.085 59.508 -2.423 1
1 1134 . 10 1 1 A 90 90 ARG CB C 90 30.568 30.346 0.222 1
1 1137 . 10 1 1 A 90 90 ARG N N 90 121.679 120.289 1.390 1
1 1138 . 10 1 1 A 91 91 GLN H H 91 8.232 8.174 0.058 1
1 1139 . 10 1 1 A 91 91 GLN HA H 91 4.179 4.200 -0.021 1
1 1146 . 10 1 1 A 91 91 GLN C C 91 176.491 178.407 -1.916 1
1 1147 . 10 1 1 A 91 91 GLN CA C 91 56.800 57.430 -0.630 1
1 1148 . 10 1 1 A 91 91 GLN CB C 91 29.129 28.414 0.715 1
1 1150 . 10 1 1 A 91 91 GLN N N 91 120.420 118.037 2.383 1
1 1152 . 10 1 1 A 92 92 LEU H H 92 8.118 7.860 0.258 1
1 1153 . 10 1 1 A 92 92 LEU HA H 92 4.269 4.034 0.235 1
1 1162 . 10 1 1 A 92 92 LEU C C 92 177.632 177.343 0.289 1
1 1163 . 10 1 1 A 92 92 LEU CA C 92 55.419 57.568 -2.149 1
1 1164 . 10 1 1 A 92 92 LEU CB C 92 42.238 42.059 0.179 1
1 1167 . 10 1 1 A 92 92 LEU N N 92 122.670 121.869 0.801 1
1 1168 . 10 1 1 A 93 93 HIS H H 93 8.049 7.816 0.233 1
1 1169 . 10 1 1 A 93 93 HIS HA H 93 4.228 4.663 -0.435 1
1 1172 . 10 1 1 A 93 93 HIS C C 93 177.608 174.091 3.517 1
1 1173 . 10 1 1 A 93 93 HIS CA C 93 55.512 55.781 -0.269 1
1 1174 . 10 1 1 A 93 93 HIS CB C 93 42.238 30.882 11.356 1
1 1175 . 10 1 1 A 93 93 HIS N N 93 121.742 118.924 2.818 1
1 1176 . 10 1 1 A 94 94 HIS H H 94 8.153 8.696 -0.543 1
1 1177 . 10 1 1 A 94 94 HIS HA H 94 4.141 5.017 -0.876 1
1 1180 . 10 1 1 A 94 94 HIS CA C 94 56.804 54.140 2.664 1
1 1181 . 10 1 1 A 94 94 HIS CB C 94 30.254 34.471 -4.217 1
1 1182 . 10 1 1 A 94 94 HIS N N 94 120.504 123.659 -3.155 1
1 1 . 11 1 1 A 2 2 TYR HA H 2 4.593 4.277 0.316 1
1 8 . 11 1 1 A 2 2 TYR C C 2 174.805 176.269 -1.464 1
1 9 . 11 1 1 A 2 2 TYR CA C 2 57.884 59.870 -1.986 1
1 10 . 11 1 1 A 2 2 TYR CB C 2 38.790 38.285 0.505 1
1 15 . 11 1 1 A 3 3 LEU H H 3 8.189 8.959 -0.770 1
1 16 . 11 1 1 A 3 3 LEU HA H 3 4.268 3.757 0.511 1
1 25 . 11 1 1 A 3 3 LEU C C 3 176.110 176.500 -0.390 1
1 26 . 11 1 1 A 3 3 LEU CA C 3 54.574 56.125 -1.551 1
1 27 . 11 1 1 A 3 3 LEU CB C 3 42.796 40.230 2.566 1
1 30 . 11 1 1 A 3 3 LEU N N 3 126.201 126.212 -0.011 1
1 31 . 11 1 1 A 4 4 LYS H H 4 8.132 7.901 0.231 1
1 32 . 11 1 1 A 4 4 LYS HA H 4 4.336 3.861 0.475 1
1 35 . 11 1 1 A 4 4 LYS C C 4 175.828 175.688 0.140 1
1 36 . 11 1 1 A 4 4 LYS CA C 4 56.186 58.641 -2.455 1
1 37 . 11 1 1 A 4 4 LYS CB C 4 33.084 30.916 2.168 1
1 38 . 11 1 1 A 4 4 LYS N N 4 123.332 110.013 13.319 1
1 39 . 11 1 1 A 5 5 ARG H H 5 8.537 8.210 0.327 1
1 40 . 11 1 1 A 5 5 ARG HA H 5 4.327 4.007 0.320 1
1 47 . 11 1 1 A 5 5 ARG C C 5 176.158 175.126 1.032 1
1 48 . 11 1 1 A 5 5 ARG CA C 5 56.076 56.875 -0.799 1
1 49 . 11 1 1 A 5 5 ARG CB C 5 31.028 29.024 2.004 1
1 52 . 11 1 1 A 5 5 ARG N N 5 124.828 120.122 4.706 1
1 53 . 11 1 1 A 6 6 VAL H H 6 8.344 8.824 -0.480 1
1 54 . 11 1 1 A 6 6 VAL HA H 6 4.154 4.215 -0.061 1
1 62 . 11 1 1 A 6 6 VAL C C 6 175.662 174.801 0.861 1
1 63 . 11 1 1 A 6 6 VAL CA C 6 61.973 62.625 -0.652 1
1 64 . 11 1 1 A 6 6 VAL CB C 6 32.937 31.266 1.671 1
1 66 . 11 1 1 A 6 6 VAL N N 6 122.153 125.229 -3.076 1
1 67 . 11 1 1 A 7 7 ASP H H 7 8.469 9.021 -0.552 1
1 68 . 11 1 1 A 7 7 ASP HA H 7 4.681 5.483 -0.802 1
1 71 . 11 1 1 A 7 7 ASP C C 7 176.217 175.179 1.038 1
1 72 . 11 1 1 A 7 7 ASP CA C 7 54.202 52.809 1.393 1
1 73 . 11 1 1 A 7 7 ASP CB C 7 41.583 44.204 -2.621 1
1 74 . 11 1 1 A 7 7 ASP N N 7 124.555 127.966 -3.411 1
1 75 . 11 1 1 A 8 8 GLY H H 8 8.185 8.286 -0.101 1
1 76 . 11 1 1 A 8 8 GLY HA2 H 8 4.184 4.231 -0.047 1
1 77 . 11 1 1 A 8 8 GLY HA3 H 8 4.070 4.234 -0.164 1
1 78 . 11 1 1 A 8 8 GLY C C 8 171.436 171.091 0.345 1
1 79 . 11 1 1 A 8 8 GLY CA C 8 44.634 45.433 -0.799 1
1 80 . 11 1 1 A 8 8 GLY N N 8 109.085 111.829 -2.744 1
1 81 . 11 1 1 A 9 9 PRO HA H 9 4.510 4.708 -0.198 1
1 88 . 11 1 1 A 9 9 PRO C C 9 176.784 177.008 -0.224 1
1 89 . 11 1 1 A 9 9 PRO CA C 9 62.869 62.753 0.116 1
1 90 . 11 1 1 A 9 9 PRO CB C 9 32.364 32.225 0.139 1
1 93 . 11 1 1 A 10 10 ARG H H 10 8.761 8.962 -0.201 1
1 94 . 11 1 1 A 10 10 ARG HA H 10 4.165 4.322 -0.157 1
1 99 . 11 1 1 A 10 10 ARG C C 10 175.911 176.028 -0.117 1
1 100 . 11 1 1 A 10 10 ARG CA C 10 57.463 56.945 0.518 1
1 101 . 11 1 1 A 10 10 ARG CB C 10 31.030 31.182 -0.152 1
1 103 . 11 1 1 A 10 10 ARG N N 10 120.390 119.546 0.844 1
1 104 . 11 1 1 A 11 11 GLN H H 11 7.790 7.814 -0.024 1
1 105 . 11 1 1 A 11 11 GLN HA H 11 5.173 5.072 0.101 1
1 112 . 11 1 1 A 11 11 GLN C C 11 173.893 173.910 -0.017 1
1 113 . 11 1 1 A 11 11 GLN CA C 11 54.402 54.795 -0.393 1
1 114 . 11 1 1 A 11 11 GLN CB C 11 31.366 31.972 -0.606 1
1 116 . 11 1 1 A 11 11 GLN N N 11 114.694 116.003 -1.309 1
1 118 . 11 1 1 A 12 12 VAL H H 12 8.803 9.227 -0.424 1
1 119 . 11 1 1 A 12 12 VAL HA H 12 4.625 4.971 -0.346 1
1 127 . 11 1 1 A 12 12 VAL C C 12 173.796 174.669 -0.873 1
1 128 . 11 1 1 A 12 12 VAL CA C 12 60.127 59.579 0.548 1
1 129 . 11 1 1 A 12 12 VAL CB C 12 35.590 35.078 0.512 1
1 132 . 11 1 1 A 12 12 VAL N N 12 115.575 118.055 -2.480 1
1 133 . 11 1 1 A 13 13 THR H H 13 8.553 8.382 0.171 1
1 134 . 11 1 1 A 13 13 THR HA H 13 4.772 4.792 -0.020 1
1 139 . 11 1 1 A 13 13 THR C C 13 174.526 174.033 0.493 1
1 140 . 11 1 1 A 13 13 THR CA C 13 61.880 61.993 -0.113 1
1 141 . 11 1 1 A 13 13 THR CB C 13 69.319 69.798 -0.479 1
1 143 . 11 1 1 A 13 13 THR N N 13 119.282 118.157 1.125 1
1 144 . 11 1 1 A 14 14 LEU H H 14 9.254 9.072 0.182 1
1 145 . 11 1 1 A 14 14 LEU HA H 14 4.210 4.502 -0.292 1
1 155 . 11 1 1 A 14 14 LEU C C 14 177.361 176.685 0.676 1
1 156 . 11 1 1 A 14 14 LEU CA C 14 54.116 52.575 1.541 1
1 157 . 11 1 1 A 14 14 LEU CB C 14 39.546 42.018 -2.472 1
1 161 . 11 1 1 A 14 14 LEU N N 14 129.147 127.456 1.691 1
1 162 . 11 1 1 A 15 15 PRO HA H 15 4.294 4.499 -0.205 1
1 169 . 11 1 1 A 15 15 PRO C C 15 176.570 177.474 -0.904 1
1 170 . 11 1 1 A 15 15 PRO CA C 15 65.392 64.376 1.016 1
1 171 . 11 1 1 A 15 15 PRO CB C 15 31.808 31.732 0.076 1
1 174 . 11 1 1 A 16 16 ASP H H 16 7.397 8.037 -0.640 1
1 175 . 11 1 1 A 16 16 ASP HA H 16 4.486 4.708 -0.222 1
1 178 . 11 1 1 A 16 16 ASP C C 16 177.056 176.515 0.541 1
1 179 . 11 1 1 A 16 16 ASP CA C 16 53.157 53.709 -0.552 1
1 180 . 11 1 1 A 16 16 ASP CB C 16 39.987 41.012 -1.025 1
1 181 . 11 1 1 A 16 16 ASP N N 16 113.036 114.368 -1.332 1
1 182 . 11 1 1 A 17 17 GLY H H 17 8.399 8.072 0.327 1
1 183 . 11 1 1 A 17 17 GLY HA2 H 17 4.293 3.894 0.399 1
1 184 . 11 1 1 A 17 17 GLY HA3 H 17 3.481 3.901 -0.420 1
1 185 . 11 1 1 A 17 17 GLY C C 17 174.700 174.362 0.338 1
1 186 . 11 1 1 A 17 17 GLY CA C 17 44.998 45.871 -0.873 1
1 187 . 11 1 1 A 17 17 GLY N N 17 108.859 108.676 0.183 1
1 188 . 11 1 1 A 18 18 THR H H 18 8.003 7.768 0.235 1
1 189 . 11 1 1 A 18 18 THR HA H 18 4.151 4.593 -0.442 1
1 194 . 11 1 1 A 18 18 THR C C 18 172.576 173.314 -0.738 1
1 195 . 11 1 1 A 18 18 THR CA C 18 63.144 61.539 1.605 1
1 196 . 11 1 1 A 18 18 THR CB C 18 69.888 70.850 -0.962 1
1 198 . 11 1 1 A 18 18 THR N N 18 116.015 116.253 -0.238 1
1 199 . 11 1 1 A 19 19 VAL H H 19 8.384 8.672 -0.288 1
1 200 . 11 1 1 A 19 19 VAL HA H 19 4.726 4.809 -0.083 1
1 208 . 11 1 1 A 19 19 VAL C C 19 175.823 173.941 1.882 1
1 209 . 11 1 1 A 19 19 VAL CA C 19 61.491 60.898 0.593 1
1 210 . 11 1 1 A 19 19 VAL CB C 19 33.757 33.935 -0.178 1
1 213 . 11 1 1 A 19 19 VAL N N 19 121.723 122.079 -0.356 1
1 214 . 11 1 1 A 20 20 LEU H H 20 8.948 9.320 -0.372 1
1 215 . 11 1 1 A 20 20 LEU HA H 20 4.784 5.186 -0.402 1
1 225 . 11 1 1 A 20 20 LEU C C 20 174.749 176.240 -1.491 1
1 226 . 11 1 1 A 20 20 LEU CA C 20 53.616 53.464 0.152 1
1 227 . 11 1 1 A 20 20 LEU CB C 20 45.062 44.582 0.480 1
1 231 . 11 1 1 A 20 20 LEU N N 20 129.673 130.759 -1.086 1
1 232 . 11 1 1 A 21 21 SER H H 21 9.246 8.574 0.672 1
1 233 . 11 1 1 A 21 21 SER HA H 21 5.207 5.161 0.046 1
1 236 . 11 1 1 A 21 21 SER C C 21 176.047 176.104 -0.057 1
1 237 . 11 1 1 A 21 21 SER CA C 21 56.523 56.741 -0.218 1
1 238 . 11 1 1 A 21 21 SER CB C 21 66.369 66.171 0.198 1
1 239 . 11 1 1 A 21 21 SER N N 21 120.387 118.987 1.400 1
1 240 . 11 1 1 A 22 22 ARG H H 22 8.847 9.020 -0.173 1
1 241 . 11 1 1 A 22 22 ARG HA H 22 3.868 4.268 -0.400 1
1 248 . 11 1 1 A 22 22 ARG C C 22 178.388 176.747 1.641 1
1 249 . 11 1 1 A 22 22 ARG CA C 22 60.207 58.673 1.534 1
1 250 . 11 1 1 A 22 22 ARG CB C 22 29.118 29.997 -0.879 1
1 253 . 11 1 1 A 22 22 ARG N N 22 122.878 121.164 1.714 1
1 254 . 11 1 1 A 23 23 ALA H H 23 8.243 7.764 0.479 1
1 255 . 11 1 1 A 23 23 ALA HA H 23 4.175 4.303 -0.128 1
1 259 . 11 1 1 A 23 23 ALA C C 23 177.763 177.927 -0.164 1
1 260 . 11 1 1 A 23 23 ALA CA C 23 54.000 52.649 1.351 1
1 261 . 11 1 1 A 23 23 ALA CB C 23 18.461 19.757 -1.296 1
1 262 . 11 1 1 A 23 23 ALA N N 23 121.050 121.189 -0.139 1
1 263 . 11 1 1 A 24 24 ASP H H 24 7.597 7.727 -0.130 1
1 264 . 11 1 1 A 24 24 ASP HA H 24 4.632 4.729 -0.097 1
1 267 . 11 1 1 A 24 24 ASP C C 24 176.608 176.699 -0.091 1
1 268 . 11 1 1 A 24 24 ASP CA C 24 54.726 54.927 -0.201 1
1 269 . 11 1 1 A 24 24 ASP CB C 24 42.026 41.456 0.570 1
1 270 . 11 1 1 A 24 24 ASP N N 24 115.095 116.786 -1.691 1
1 271 . 11 1 1 A 25 25 LEU H H 25 7.311 7.418 -0.107 1
1 272 . 11 1 1 A 25 25 LEU HA H 25 4.402 4.478 -0.076 1
1 282 . 11 1 1 A 25 25 LEU C C 25 174.724 174.915 -0.191 1
1 283 . 11 1 1 A 25 25 LEU CA C 25 53.307 53.916 -0.609 1
1 284 . 11 1 1 A 25 25 LEU CB C 25 40.047 41.884 -1.837 1
1 288 . 11 1 1 A 25 25 LEU N N 25 119.781 123.092 -3.311 1
1 289 . 11 1 1 A 26 26 PRO HA H 26 4.745 4.628 0.117 1
1 296 . 11 1 1 A 26 26 PRO CA C 26 61.496 62.137 -0.641 1
1 297 . 11 1 1 A 26 26 PRO CB C 26 30.700 31.820 -1.120 1
1 300 . 11 1 1 A 27 27 PRO HA H 27 4.598 4.636 -0.038 1
1 307 . 11 1 1 A 27 27 PRO C C 27 178.036 177.442 0.594 1
1 308 . 11 1 1 A 27 27 PRO CA C 27 62.923 62.718 0.205 1
1 309 . 11 1 1 A 27 27 PRO CB C 27 32.758 32.521 0.237 1
1 312 . 11 1 1 A 28 28 LEU H H 28 8.880 8.511 0.369 1
1 313 . 11 1 1 A 28 28 LEU HA H 28 4.177 4.277 -0.100 1
1 323 . 11 1 1 A 28 28 LEU C C 28 176.873 178.858 -1.985 1
1 324 . 11 1 1 A 28 28 LEU CA C 28 57.833 57.448 0.385 1
1 325 . 11 1 1 A 28 28 LEU CB C 28 41.291 41.477 -0.186 1
1 329 . 11 1 1 A 28 28 LEU N N 28 122.643 122.870 -0.227 1
1 330 . 11 1 1 A 29 29 ASP H H 29 8.203 8.133 0.070 1
1 331 . 11 1 1 A 29 29 ASP HA H 29 4.615 4.438 0.177 1
1 334 . 11 1 1 A 29 29 ASP C C 29 176.158 176.602 -0.444 1
1 335 . 11 1 1 A 29 29 ASP CA C 29 53.098 55.967 -2.869 1
1 336 . 11 1 1 A 29 29 ASP CB C 29 39.311 40.978 -1.667 1
1 337 . 11 1 1 A 29 29 ASP N N 29 115.741 118.243 -2.502 1
1 338 . 11 1 1 A 30 30 THR H H 30 7.516 7.473 0.043 1
1 339 . 11 1 1 A 30 30 THR HA H 30 3.599 3.962 -0.363 1
1 344 . 11 1 1 A 30 30 THR C C 30 174.366 174.045 0.321 1
1 345 . 11 1 1 A 30 30 THR CA C 30 65.815 63.895 1.920 1
1 346 . 11 1 1 A 30 30 THR CB C 30 69.989 68.252 1.737 1
1 348 . 11 1 1 A 30 30 THR N N 30 116.808 113.288 3.520 1
1 349 . 11 1 1 A 31 31 ARG H H 31 8.482 8.874 -0.392 1
1 350 . 11 1 1 A 31 31 ARG HA H 31 4.583 4.320 0.263 1
1 358 . 11 1 1 A 31 31 ARG CA C 31 55.399 56.998 -1.599 1
1 359 . 11 1 1 A 31 31 ARG CB C 31 32.296 31.744 0.552 1
1 362 . 11 1 1 A 31 31 ARG N N 31 124.991 128.015 -3.024 1
1 364 . 11 1 1 A 32 32 ARG HA H 32 4.523 4.299 0.224 1
1 372 . 11 1 1 A 32 32 ARG C C 32 175.341 174.267 1.074 1
1 373 . 11 1 1 A 32 32 ARG CA C 32 54.759 55.624 -0.865 1
1 374 . 11 1 1 A 32 32 ARG CB C 32 30.348 29.438 0.910 1
1 378 . 11 1 1 A 33 33 TRP H H 33 8.923 8.718 0.205 1
1 379 . 11 1 1 A 33 33 TRP HA H 33 4.292 4.809 -0.517 1
1 388 . 11 1 1 A 33 33 TRP C C 33 176.208 176.256 -0.048 1
1 389 . 11 1 1 A 33 33 TRP CA C 33 56.923 56.958 -0.035 1
1 390 . 11 1 1 A 33 33 TRP CB C 33 28.492 28.726 -0.234 1
1 396 . 11 1 1 A 33 33 TRP N N 33 128.804 127.729 1.075 1
1 398 . 11 1 1 A 34 34 VAL H H 34 6.953 7.949 -0.996 1
1 399 . 11 1 1 A 34 34 VAL HA H 34 4.451 4.527 -0.076 1
1 407 . 11 1 1 A 34 34 VAL C C 34 177.217 176.817 0.400 1
1 408 . 11 1 1 A 34 34 VAL CA C 34 60.180 60.327 -0.147 1
1 409 . 11 1 1 A 34 34 VAL CB C 34 32.686 34.343 -1.657 1
1 412 . 11 1 1 A 34 34 VAL N N 34 114.683 123.229 -8.546 1
1 413 . 11 1 1 A 35 35 ALA HA H 35 3.745 3.895 -0.150 1
1 417 . 11 1 1 A 35 35 ALA C C 35 180.114 179.764 0.350 1
1 418 . 11 1 1 A 35 35 ALA CA C 35 56.618 55.525 1.093 1
1 419 . 11 1 1 A 35 35 ALA CB C 35 18.334 18.099 0.235 1
1 420 . 11 1 1 A 36 36 SER H H 36 8.841 8.092 0.749 1
1 421 . 11 1 1 A 36 36 SER HA H 36 4.140 4.115 0.025 1
1 424 . 11 1 1 A 36 36 SER C C 36 177.291 176.812 0.479 1
1 425 . 11 1 1 A 36 36 SER CA C 36 61.250 61.551 -0.301 1
1 426 . 11 1 1 A 36 36 SER CB C 36 61.673 62.817 -1.144 1
1 427 . 11 1 1 A 36 36 SER N N 36 111.913 113.566 -1.653 1
1 428 . 11 1 1 A 37 37 ARG H H 37 7.183 7.978 -0.795 1
1 429 . 11 1 1 A 37 37 ARG HA H 37 4.349 4.191 0.158 1
1 436 . 11 1 1 A 37 37 ARG C C 37 177.816 178.730 -0.914 1
1 437 . 11 1 1 A 37 37 ARG CA C 37 58.944 58.950 -0.006 1
1 438 . 11 1 1 A 37 37 ARG CB C 37 31.009 29.813 1.196 1
1 441 . 11 1 1 A 37 37 ARG N N 37 123.504 121.798 1.706 1
1 442 . 11 1 1 A 38 38 LYS H H 38 7.514 8.079 -0.565 1
1 443 . 11 1 1 A 38 38 LYS HA H 38 3.592 3.373 0.219 1
1 452 . 11 1 1 A 38 38 LYS C C 38 178.935 179.023 -0.088 1
1 453 . 11 1 1 A 38 38 LYS CA C 38 59.846 59.045 0.801 1
1 454 . 11 1 1 A 38 38 LYS CB C 38 33.310 31.575 1.735 1
1 458 . 11 1 1 A 38 38 LYS N N 38 118.200 119.123 -0.923 1
1 459 . 11 1 1 A 39 39 ALA H H 39 8.131 7.982 0.149 1
1 460 . 11 1 1 A 39 39 ALA HA H 39 3.865 4.102 -0.237 1
1 464 . 11 1 1 A 39 39 ALA C C 39 178.995 179.854 -0.859 1
1 465 . 11 1 1 A 39 39 ALA CA C 39 55.093 54.946 0.147 1
1 466 . 11 1 1 A 39 39 ALA CB C 39 18.124 17.816 0.308 1
1 467 . 11 1 1 A 39 39 ALA N N 39 117.547 122.158 -4.611 1
1 468 . 11 1 1 A 40 40 ALA H H 40 7.375 7.806 -0.431 1
1 469 . 11 1 1 A 40 40 ALA HA H 40 4.134 4.124 0.010 1
1 473 . 11 1 1 A 40 40 ALA C C 40 179.512 180.217 -0.705 1
1 474 . 11 1 1 A 40 40 ALA CA C 40 55.506 55.370 0.136 1
1 475 . 11 1 1 A 40 40 ALA CB C 40 18.473 18.172 0.301 1
1 476 . 11 1 1 A 40 40 ALA N N 40 119.346 120.105 -0.759 1
1 477 . 11 1 1 A 41 41 VAL H H 41 7.382 7.862 -0.480 1
1 478 . 11 1 1 A 41 41 VAL HA H 41 3.642 3.749 -0.107 1
1 486 . 11 1 1 A 41 41 VAL C C 41 177.423 178.270 -0.847 1
1 487 . 11 1 1 A 41 41 VAL CA C 41 67.279 67.086 0.193 1
1 488 . 11 1 1 A 41 41 VAL CB C 41 32.149 31.782 0.367 1
1 491 . 11 1 1 A 41 41 VAL N N 41 116.434 118.676 -2.242 1
1 492 . 11 1 1 A 42 42 VAL H H 42 8.332 8.233 0.099 1
1 493 . 11 1 1 A 42 42 VAL HA H 42 3.723 3.946 -0.223 1
1 501 . 11 1 1 A 42 42 VAL C C 42 178.381 178.063 0.318 1
1 502 . 11 1 1 A 42 42 VAL CA C 42 67.698 65.334 2.364 1
1 503 . 11 1 1 A 42 42 VAL CB C 42 32.170 31.216 0.954 1
1 506 . 11 1 1 A 42 42 VAL N N 42 118.061 120.520 -2.459 1
1 507 . 11 1 1 A 43 43 LYS H H 43 8.973 8.240 0.733 1
1 508 . 11 1 1 A 43 43 LYS HA H 43 3.977 4.086 -0.109 1
1 517 . 11 1 1 A 43 43 LYS C C 43 177.830 179.335 -1.505 1
1 518 . 11 1 1 A 43 43 LYS CA C 43 60.343 59.492 0.851 1
1 519 . 11 1 1 A 43 43 LYS CB C 43 32.863 32.039 0.824 1
1 523 . 11 1 1 A 43 43 LYS N N 43 118.026 122.677 -4.651 1
1 524 . 11 1 1 A 44 44 ALA H H 44 7.959 7.824 0.135 1
1 525 . 11 1 1 A 44 44 ALA HA H 44 3.968 4.163 -0.195 1
1 529 . 11 1 1 A 44 44 ALA C C 44 178.921 179.720 -0.799 1
1 530 . 11 1 1 A 44 44 ALA CA C 44 55.324 55.230 0.094 1
1 531 . 11 1 1 A 44 44 ALA CB C 44 19.816 18.676 1.140 1
1 532 . 11 1 1 A 44 44 ALA N N 44 119.893 122.748 -2.855 1
1 533 . 11 1 1 A 45 45 VAL H H 45 7.789 7.797 -0.008 1
1 534 . 11 1 1 A 45 45 VAL HA H 45 4.494 3.915 0.579 1
1 542 . 11 1 1 A 45 45 VAL C C 45 180.590 178.451 2.139 1
1 543 . 11 1 1 A 45 45 VAL CA C 45 64.383 66.881 -2.498 1
1 544 . 11 1 1 A 45 45 VAL CB C 45 32.456 31.340 1.116 1
1 547 . 11 1 1 A 45 45 VAL N N 45 118.569 117.745 0.824 1
1 548 . 11 1 1 A 46 46 ILE H H 46 8.945 8.214 0.731 1
1 549 . 11 1 1 A 46 46 ILE HA H 46 3.689 3.673 0.016 1
1 559 . 11 1 1 A 46 46 ILE C C 46 178.437 177.321 1.116 1
1 560 . 11 1 1 A 46 46 ILE CA C 46 65.391 64.798 0.593 1
1 561 . 11 1 1 A 46 46 ILE CB C 46 38.182 37.846 0.336 1
1 565 . 11 1 1 A 46 46 ILE N N 46 121.331 119.654 1.677 1
1 566 . 11 1 1 A 47 47 HIS H H 47 8.030 7.587 0.443 1
1 567 . 11 1 1 A 47 47 HIS HA H 47 4.663 4.636 0.027 1
1 572 . 11 1 1 A 47 47 HIS C C 47 175.308 175.122 0.186 1
1 573 . 11 1 1 A 47 47 HIS CA C 47 56.736 55.996 0.740 1
1 574 . 11 1 1 A 47 47 HIS CB C 47 29.482 29.956 -0.474 1
1 577 . 11 1 1 A 47 47 HIS N N 47 113.700 116.841 -3.141 1
1 578 . 11 1 1 A 48 48 GLY H H 48 7.543 7.796 -0.253 1
1 579 . 11 1 1 A 48 48 GLY HA2 H 48 4.026 3.912 0.114 1
1 580 . 11 1 1 A 48 48 GLY HA3 H 48 3.904 3.919 -0.015 1
1 581 . 11 1 1 A 48 48 GLY C C 48 175.172 175.389 -0.217 1
1 582 . 11 1 1 A 48 48 GLY CA C 48 46.740 46.188 0.552 1
1 583 . 11 1 1 A 48 48 GLY N N 48 106.113 107.980 -1.867 1
1 584 . 11 1 1 A 49 49 LEU H H 49 8.803 7.848 0.955 1
1 585 . 11 1 1 A 49 49 LEU HA H 49 4.090 4.051 0.039 1
1 595 . 11 1 1 A 49 49 LEU C C 49 176.111 176.388 -0.277 1
1 596 . 11 1 1 A 49 49 LEU CA C 49 57.575 57.493 0.082 1
1 597 . 11 1 1 A 49 49 LEU CB C 49 42.969 42.638 0.331 1
1 601 . 11 1 1 A 49 49 LEU N N 49 122.636 121.983 0.653 1
1 602 . 11 1 1 A 50 50 ILE H H 50 7.257 7.284 -0.027 1
1 603 . 11 1 1 A 50 50 ILE HA H 50 4.689 4.825 -0.136 1
1 613 . 11 1 1 A 50 50 ILE C C 50 174.994 174.803 0.191 1
1 614 . 11 1 1 A 50 50 ILE CA C 50 58.262 58.718 -0.456 1
1 615 . 11 1 1 A 50 50 ILE CB C 50 41.641 41.172 0.469 1
1 619 . 11 1 1 A 50 50 ILE N N 50 107.650 114.383 -6.733 1
1 620 . 11 1 1 A 51 51 THR H H 51 8.677 8.400 0.277 1
1 621 . 11 1 1 A 51 51 THR HA H 51 4.466 4.561 -0.095 1
1 627 . 11 1 1 A 51 51 THR C C 51 175.227 175.247 -0.020 1
1 628 . 11 1 1 A 51 51 THR CA C 51 60.728 60.772 -0.044 1
1 629 . 11 1 1 A 51 51 THR CB C 51 71.216 70.159 1.057 1
1 631 . 11 1 1 A 51 51 THR N N 51 111.798 117.061 -5.263 1
1 632 . 11 1 1 A 52 52 GLU H H 52 9.034 9.027 0.007 1
1 633 . 11 1 1 A 52 52 GLU HA H 52 3.507 3.619 -0.112 1
1 638 . 11 1 1 A 52 52 GLU C C 52 177.287 178.048 -0.761 1
1 639 . 11 1 1 A 52 52 GLU CA C 52 60.515 59.625 0.890 1
1 640 . 11 1 1 A 52 52 GLU CB C 52 29.418 29.041 0.377 1
1 642 . 11 1 1 A 52 52 GLU N N 52 122.067 125.925 -3.858 1
1 643 . 11 1 1 A 53 53 ARG H H 53 8.213 7.342 0.871 1
1 644 . 11 1 1 A 53 53 ARG HA H 53 3.740 4.060 -0.320 1
1 652 . 11 1 1 A 53 53 ARG C C 53 177.698 178.720 -1.022 1
1 653 . 11 1 1 A 53 53 ARG CA C 53 58.635 57.950 0.685 1
1 654 . 11 1 1 A 53 53 ARG CB C 53 30.257 29.968 0.289 1
1 658 . 11 1 1 A 53 53 ARG N N 53 116.853 119.466 -2.613 1
1 660 . 11 1 1 A 54 54 GLU H H 54 7.747 7.873 -0.126 1
1 661 . 11 1 1 A 54 54 GLU HA H 54 3.978 4.042 -0.064 1
1 666 . 11 1 1 A 54 54 GLU C C 54 178.915 178.194 0.721 1
1 667 . 11 1 1 A 54 54 GLU CA C 54 59.312 59.227 0.085 1
1 668 . 11 1 1 A 54 54 GLU CB C 54 29.678 29.407 0.271 1
1 670 . 11 1 1 A 54 54 GLU N N 54 118.040 119.554 -1.514 1
1 671 . 11 1 1 A 55 55 ALA H H 55 7.932 7.921 0.011 1
1 672 . 11 1 1 A 55 55 ALA HA H 55 3.694 4.110 -0.416 1
1 676 . 11 1 1 A 55 55 ALA C C 55 178.383 180.260 -1.877 1
1 677 . 11 1 1 A 55 55 ALA CA C 55 55.871 55.212 0.659 1
1 678 . 11 1 1 A 55 55 ALA CB C 55 17.664 17.864 -0.200 1
1 679 . 11 1 1 A 55 55 ALA N N 55 122.121 122.535 -0.414 1
1 680 . 11 1 1 A 56 56 LEU H H 56 8.110 7.721 0.389 1
1 681 . 11 1 1 A 56 56 LEU HA H 56 3.605 3.867 -0.262 1
1 691 . 11 1 1 A 56 56 LEU C C 56 180.273 179.011 1.262 1
1 692 . 11 1 1 A 56 56 LEU CA C 56 58.167 57.705 0.462 1
1 693 . 11 1 1 A 56 56 LEU CB C 56 39.563 41.322 -1.759 1
1 697 . 11 1 1 A 56 56 LEU N N 56 114.908 118.699 -3.791 1
1 698 . 11 1 1 A 57 57 ASP H H 57 8.080 7.638 0.442 1
1 699 . 11 1 1 A 57 57 ASP HA H 57 4.353 4.376 -0.023 1
1 702 . 11 1 1 A 57 57 ASP C C 57 179.121 178.621 0.500 1
1 703 . 11 1 1 A 57 57 ASP CA C 57 56.644 56.895 -0.251 1
1 704 . 11 1 1 A 57 57 ASP CB C 57 40.909 41.310 -0.401 1
1 705 . 11 1 1 A 57 57 ASP N N 57 117.019 119.811 -2.792 1
1 706 . 11 1 1 A 58 58 ARG H H 58 8.584 8.800 -0.216 1
1 707 . 11 1 1 A 58 58 ARG HA H 58 3.728 4.029 -0.301 1
1 715 . 11 1 1 A 58 58 ARG C C 58 177.362 176.479 0.883 1
1 716 . 11 1 1 A 58 58 ARG CA C 58 59.141 57.991 1.150 1
1 717 . 11 1 1 A 58 58 ARG CB C 58 30.462 29.411 1.051 1
1 720 . 11 1 1 A 58 58 ARG N N 58 119.926 118.015 1.911 1
1 722 . 11 1 1 A 59 59 TYR H H 59 7.133 7.299 -0.166 1
1 723 . 11 1 1 A 59 59 TYR HA H 59 5.018 4.829 0.189 1
1 730 . 11 1 1 A 59 59 TYR C C 59 173.865 175.191 -1.326 1
1 731 . 11 1 1 A 59 59 TYR CA C 59 57.348 57.780 -0.432 1
1 732 . 11 1 1 A 59 59 TYR CB C 59 38.052 39.104 -1.052 1
1 737 . 11 1 1 A 59 59 TYR N N 59 111.796 118.184 -6.388 1
1 738 . 11 1 1 A 60 60 SER H H 60 7.542 7.985 -0.443 1
1 739 . 11 1 1 A 60 60 SER HA H 60 4.082 4.388 -0.306 1
1 742 . 11 1 1 A 60 60 SER C C 60 176.402 173.443 2.959 1
1 743 . 11 1 1 A 60 60 SER CA C 60 58.482 59.041 -0.559 1
1 744 . 11 1 1 A 60 60 SER CB C 60 61.229 60.786 0.443 1
1 745 . 11 1 1 A 60 60 SER N N 60 114.624 114.010 0.614 1
1 746 . 11 1 1 A 61 61 LEU H H 61 8.228 7.978 0.250 1
1 747 . 11 1 1 A 61 61 LEU HA H 61 4.583 4.696 -0.113 1
1 757 . 11 1 1 A 61 61 LEU C C 61 176.463 176.311 0.152 1
1 758 . 11 1 1 A 61 61 LEU CA C 61 52.478 53.402 -0.924 1
1 759 . 11 1 1 A 61 61 LEU CB C 61 45.873 43.850 2.023 1
1 763 . 11 1 1 A 61 61 LEU N N 61 119.424 121.805 -2.381 1
1 764 . 11 1 1 A 62 62 SER H H 62 8.376 8.914 -0.538 1
1 765 . 11 1 1 A 62 62 SER HA H 62 4.555 4.531 0.024 1
1 768 . 11 1 1 A 62 62 SER C C 62 175.088 175.684 -0.596 1
1 769 . 11 1 1 A 62 62 SER CA C 62 56.123 57.573 -1.450 1
1 770 . 11 1 1 A 62 62 SER CB C 62 65.560 64.323 1.237 1
1 771 . 11 1 1 A 62 62 SER N N 62 115.890 118.222 -2.332 1
1 772 . 11 1 1 A 63 63 GLU H H 63 9.204 9.031 0.173 1
1 773 . 11 1 1 A 63 63 GLU HA H 63 3.806 3.895 -0.089 1
1 778 . 11 1 1 A 63 63 GLU C C 63 179.412 178.305 1.107 1
1 779 . 11 1 1 A 63 63 GLU CA C 63 60.338 59.538 0.800 1
1 780 . 11 1 1 A 63 63 GLU CB C 63 29.354 29.278 0.076 1
1 782 . 11 1 1 A 63 63 GLU N N 63 122.263 124.030 -1.767 1
1 783 . 11 1 1 A 64 64 GLU H H 64 8.859 8.364 0.495 1
1 784 . 11 1 1 A 64 64 GLU HA H 64 3.969 4.078 -0.109 1
1 789 . 11 1 1 A 64 64 GLU C C 64 178.700 178.969 -0.269 1
1 790 . 11 1 1 A 64 64 GLU CA C 64 59.822 59.371 0.451 1
1 791 . 11 1 1 A 64 64 GLU CB C 64 29.210 29.033 0.177 1
1 793 . 11 1 1 A 64 64 GLU N N 64 119.056 117.826 1.230 1
1 794 . 11 1 1 A 65 65 GLU H H 65 7.864 8.117 -0.253 1
1 795 . 11 1 1 A 65 65 GLU HA H 65 3.960 4.034 -0.074 1
1 800 . 11 1 1 A 65 65 GLU C C 65 177.783 178.500 -0.717 1
1 801 . 11 1 1 A 65 65 GLU CA C 65 58.817 59.362 -0.545 1
1 802 . 11 1 1 A 65 65 GLU CB C 65 29.452 29.226 0.226 1
1 804 . 11 1 1 A 65 65 GLU N N 65 121.783 120.111 1.672 1
1 805 . 11 1 1 A 66 66 PHE H H 66 7.918 7.898 0.020 1
1 806 . 11 1 1 A 66 66 PHE HA H 66 3.294 3.509 -0.215 1
1 814 . 11 1 1 A 66 66 PHE C C 66 177.021 177.773 -0.752 1
1 815 . 11 1 1 A 66 66 PHE CA C 66 61.197 61.258 -0.061 1
1 816 . 11 1 1 A 66 66 PHE CB C 66 39.279 38.890 0.389 1
1 820 . 11 1 1 A 66 66 PHE N N 66 117.902 119.900 -1.998 1
1 821 . 11 1 1 A 67 67 ALA H H 67 8.011 8.235 -0.224 1
1 822 . 11 1 1 A 67 67 ALA HA H 67 3.839 4.093 -0.254 1
1 826 . 11 1 1 A 67 67 ALA C C 67 181.069 179.929 1.140 1
1 827 . 11 1 1 A 67 67 ALA CA C 67 55.296 55.303 -0.007 1
1 828 . 11 1 1 A 67 67 ALA CB C 67 17.648 18.149 -0.501 1
1 829 . 11 1 1 A 67 67 ALA N N 67 119.951 121.268 -1.317 1
1 830 . 11 1 1 A 68 68 LEU H H 68 7.431 8.010 -0.579 1
1 831 . 11 1 1 A 68 68 LEU HA H 68 4.162 4.016 0.146 1
1 841 . 11 1 1 A 68 68 LEU C C 68 180.631 179.437 1.194 1
1 842 . 11 1 1 A 68 68 LEU CA C 68 57.621 57.966 -0.345 1
1 843 . 11 1 1 A 68 68 LEU CB C 68 41.083 42.506 -1.423 1
1 847 . 11 1 1 A 68 68 LEU N N 68 119.888 118.696 1.192 1
1 848 . 11 1 1 A 69 69 TRP H H 69 8.288 8.318 -0.030 1
1 849 . 11 1 1 A 69 69 TRP HA H 69 4.341 4.282 0.059 1
1 858 . 11 1 1 A 69 69 TRP C C 69 179.178 179.383 -0.205 1
1 859 . 11 1 1 A 69 69 TRP CA C 69 59.228 60.096 -0.868 1
1 860 . 11 1 1 A 69 69 TRP CB C 69 28.387 28.881 -0.494 1
1 866 . 11 1 1 A 69 69 TRP N N 69 122.616 118.728 3.888 1
1 868 . 11 1 1 A 70 70 ARG H H 70 8.291 7.982 0.309 1
1 869 . 11 1 1 A 70 70 ARG HA H 70 3.743 4.055 -0.312 1
1 877 . 11 1 1 A 70 70 ARG C C 70 178.811 177.814 0.997 1
1 878 . 11 1 1 A 70 70 ARG CA C 70 59.614 58.754 0.860 1
1 879 . 11 1 1 A 70 70 ARG CB C 70 30.171 29.741 0.430 1
1 882 . 11 1 1 A 70 70 ARG N N 70 117.864 118.638 -0.774 1
1 884 . 11 1 1 A 71 71 SER H H 71 8.000 7.762 0.238 1
1 885 . 11 1 1 A 71 71 SER HA H 71 4.212 4.317 -0.105 1
1 888 . 11 1 1 A 71 71 SER C C 71 176.074 175.237 0.837 1
1 889 . 11 1 1 A 71 71 SER CA C 71 61.074 61.015 0.059 1
1 890 . 11 1 1 A 71 71 SER CB C 71 62.891 63.508 -0.617 1
1 891 . 11 1 1 A 71 71 SER N N 71 114.582 117.145 -2.563 1
1 892 . 11 1 1 A 72 72 ALA H H 72 7.816 7.676 0.140 1
1 893 . 11 1 1 A 72 72 ALA HA H 72 4.230 4.356 -0.126 1
1 897 . 11 1 1 A 72 72 ALA C C 72 179.631 179.710 -0.079 1
1 898 . 11 1 1 A 72 72 ALA CA C 72 54.245 53.965 0.280 1
1 899 . 11 1 1 A 72 72 ALA CB C 72 18.687 19.387 -0.700 1
1 900 . 11 1 1 A 72 72 ALA N N 72 124.141 122.935 1.206 1
1 901 . 11 1 1 A 73 73 VAL H H 73 7.728 8.030 -0.302 1
1 902 . 11 1 1 A 73 73 VAL HA H 73 3.850 3.810 0.040 1
1 910 . 11 1 1 A 73 73 VAL C C 73 177.286 177.990 -0.704 1
1 911 . 11 1 1 A 73 73 VAL CA C 73 64.163 65.524 -1.361 1
1 912 . 11 1 1 A 73 73 VAL CB C 73 32.466 32.087 0.379 1
1 915 . 11 1 1 A 73 73 VAL N N 73 117.289 118.234 -0.945 1
1 916 . 11 1 1 A 74 74 ALA H H 74 7.960 8.125 -0.165 1
1 917 . 11 1 1 A 74 74 ALA HA H 74 4.195 4.161 0.034 1
1 921 . 11 1 1 A 74 74 ALA C C 74 178.318 179.136 -0.818 1
1 922 . 11 1 1 A 74 74 ALA CA C 74 53.559 54.888 -1.329 1
1 923 . 11 1 1 A 74 74 ALA CB C 74 18.612 18.180 0.432 1
1 924 . 11 1 1 A 74 74 ALA N N 74 123.977 121.963 2.014 1
1 925 . 11 1 1 A 75 75 ALA H H 75 7.889 7.614 0.275 1
1 926 . 11 1 1 A 75 75 ALA HA H 75 4.214 4.711 -0.497 1
1 930 . 11 1 1 A 75 75 ALA C C 75 178.233 177.652 0.581 1
1 931 . 11 1 1 A 75 75 ALA CA C 75 53.242 51.960 1.282 1
1 932 . 11 1 1 A 75 75 ALA CB C 75 18.812 19.149 -0.337 1
1 933 . 11 1 1 A 75 75 ALA N N 75 120.956 118.818 2.138 1
1 934 . 11 1 1 A 76 76 HIS H H 76 8.057 7.561 0.496 1
1 935 . 11 1 1 A 76 76 HIS HA H 76 4.585 4.338 0.247 1
1 939 . 11 1 1 A 76 76 HIS C C 76 176.217 176.257 -0.040 1
1 940 . 11 1 1 A 76 76 HIS CA C 76 56.644 57.479 -0.835 1
1 941 . 11 1 1 A 76 76 HIS CB C 76 30.282 29.495 0.787 1
1 943 . 11 1 1 A 76 76 HIS N N 76 117.302 119.866 -2.564 1
1 944 . 11 1 1 A 77 77 GLY H H 77 8.229 8.765 -0.536 1
1 945 . 11 1 1 A 77 77 GLY HA2 H 77 3.951 3.985 -0.034 1
1 946 . 11 1 1 A 77 77 GLY HA3 H 77 3.951 4.013 -0.062 1
1 947 . 11 1 1 A 77 77 GLY C C 77 174.415 175.466 -1.051 1
1 948 . 11 1 1 A 77 77 GLY CA C 77 45.560 45.228 0.332 1
1 949 . 11 1 1 A 77 77 GLY N N 77 109.118 115.129 -6.011 1
1 950 . 11 1 1 A 78 78 GLU H H 78 8.335 7.815 0.520 1
1 951 . 11 1 1 A 78 78 GLU HA H 78 4.210 4.675 -0.465 1
1 956 . 11 1 1 A 78 78 GLU C C 78 177.052 177.250 -0.198 1
1 957 . 11 1 1 A 78 78 GLU CA C 78 56.836 58.259 -1.423 1
1 958 . 11 1 1 A 78 78 GLU CB C 78 30.136 28.739 1.397 1
1 960 . 11 1 1 A 78 78 GLU N N 78 120.947 120.714 0.233 1
1 961 . 11 1 1 A 79 79 LYS H H 79 8.299 7.781 0.518 1
1 962 . 11 1 1 A 79 79 LYS HA H 79 4.205 4.266 -0.061 1
1 971 . 11 1 1 A 79 79 LYS C C 79 176.656 176.150 0.506 1
1 972 . 11 1 1 A 79 79 LYS CA C 79 57.057 56.715 0.342 1
1 973 . 11 1 1 A 79 79 LYS CB C 79 32.811 32.868 -0.057 1
1 977 . 11 1 1 A 79 79 LYS N N 79 121.638 117.478 4.160 1
1 978 . 11 1 1 A 80 80 ALA H H 80 8.142 7.633 0.509 1
1 979 . 11 1 1 A 80 80 ALA HA H 80 4.245 4.486 -0.241 1
1 983 . 11 1 1 A 80 80 ALA C C 80 177.868 176.068 1.800 1
1 984 . 11 1 1 A 80 80 ALA CA C 80 52.706 51.712 0.994 1
1 985 . 11 1 1 A 80 80 ALA CB C 80 19.117 19.353 -0.236 1
1 986 . 11 1 1 A 80 80 ALA N N 80 123.770 121.759 2.011 1
1 987 . 11 1 1 A 81 81 LEU H H 81 8.040 8.880 -0.840 1
1 988 . 11 1 1 A 81 81 LEU HA H 81 4.245 4.667 -0.422 1
1 998 . 11 1 1 A 81 81 LEU C C 81 177.434 176.048 1.386 1
1 999 . 11 1 1 A 81 81 LEU CA C 81 55.673 54.542 1.131 1
1 1000 . 11 1 1 A 81 81 LEU CB C 81 42.160 40.485 1.675 1
1 1004 . 11 1 1 A 81 81 LEU N N 81 120.893 124.912 -4.019 1
1 1005 . 11 1 1 A 82 82 LYS H H 82 8.178 8.498 -0.320 1
1 1006 . 11 1 1 A 82 82 LYS HA H 82 4.283 4.350 -0.067 1
1 1015 . 11 1 1 A 82 82 LYS C C 82 176.810 177.683 -0.873 1
1 1016 . 11 1 1 A 82 82 LYS CA C 82 56.715 56.243 0.472 1
1 1017 . 11 1 1 A 82 82 LYS CB C 82 32.846 33.785 -0.939 1
1 1021 . 11 1 1 A 82 82 LYS N N 82 121.957 125.177 -3.220 1
1 1022 . 11 1 1 A 83 83 VAL H H 83 8.123 8.565 -0.442 1
1 1023 . 11 1 1 A 83 83 VAL HA H 83 4.093 3.832 0.261 1
1 1031 . 11 1 1 A 83 83 VAL C C 83 176.604 177.589 -0.985 1
1 1032 . 11 1 1 A 83 83 VAL CA C 83 62.964 65.409 -2.445 1
1 1033 . 11 1 1 A 83 83 VAL CB C 83 32.742 31.754 0.988 1
1 1036 . 11 1 1 A 83 83 VAL N N 83 121.150 126.992 -5.842 1
1 1037 . 11 1 1 A 84 84 THR H H 84 8.162 8.043 0.119 1
1 1038 . 11 1 1 A 84 84 THR HA H 84 4.276 3.946 0.330 1
1 1043 . 11 1 1 A 84 84 THR C C 84 174.773 176.805 -2.032 1
1 1044 . 11 1 1 A 84 84 THR CA C 84 62.558 66.099 -3.541 1
1 1045 . 11 1 1 A 84 84 THR CB C 84 69.726 68.511 1.215 1
1 1047 . 11 1 1 A 84 84 THR N N 84 117.587 116.675 0.912 1
1 1048 . 11 1 1 A 85 85 MET H H 85 8.353 8.498 -0.145 1
1 1049 . 11 1 1 A 85 85 MET HA H 85 4.448 3.913 0.535 1
1 1054 . 11 1 1 A 85 85 MET C C 85 176.518 178.271 -1.753 1
1 1055 . 11 1 1 A 85 85 MET CA C 85 56.074 58.381 -2.307 1
1 1056 . 11 1 1 A 85 85 MET CB C 85 32.837 32.560 0.277 1
1 1058 . 11 1 1 A 85 85 MET N N 85 122.707 119.743 2.964 1
1 1059 . 11 1 1 A 86 86 ILE H H 86 8.113 7.644 0.469 1
1 1060 . 11 1 1 A 86 86 ILE HA H 86 4.061 3.604 0.457 1
1 1070 . 11 1 1 A 86 86 ILE C C 86 176.712 177.904 -1.192 1
1 1071 . 11 1 1 A 86 86 ILE CA C 86 62.006 64.903 -2.897 1
1 1072 . 11 1 1 A 86 86 ILE CB C 86 38.402 37.442 0.960 1
1 1076 . 11 1 1 A 86 86 ILE N N 86 121.834 118.956 2.878 1
1 1077 . 11 1 1 A 87 87 GLN H H 87 8.328 7.844 0.484 1
1 1078 . 11 1 1 A 87 87 GLN HA H 87 4.190 3.968 0.222 1
1 1085 . 11 1 1 A 87 87 GLN C C 87 176.617 177.973 -1.356 1
1 1086 . 11 1 1 A 87 87 GLN CA C 87 56.798 59.284 -2.486 1
1 1087 . 11 1 1 A 87 87 GLN CB C 87 29.044 28.574 0.470 1
1 1089 . 11 1 1 A 87 87 GLN N N 87 123.529 119.829 3.700 1
1 1091 . 11 1 1 A 88 88 LYS H H 88 8.232 7.303 0.929 1
1 1092 . 11 1 1 A 88 88 LYS HA H 88 4.133 4.004 0.129 1
1 1101 . 11 1 1 A 88 88 LYS C C 88 176.983 179.348 -2.365 1
1 1102 . 11 1 1 A 88 88 LYS CA C 88 57.289 58.617 -1.328 1
1 1103 . 11 1 1 A 88 88 LYS CB C 88 32.806 31.884 0.922 1
1 1107 . 11 1 1 A 88 88 LYS N N 88 121.677 118.295 3.382 1
1 1108 . 11 1 1 A 89 89 TYR H H 89 8.086 7.691 0.395 1
1 1109 . 11 1 1 A 89 89 TYR HA H 89 4.492 4.391 0.101 1
1 1116 . 11 1 1 A 89 89 TYR C C 89 176.250 178.672 -2.422 1
1 1117 . 11 1 1 A 89 89 TYR CA C 89 58.546 60.793 -2.247 1
1 1118 . 11 1 1 A 89 89 TYR CB C 89 38.410 37.532 0.878 1
1 1123 . 11 1 1 A 89 89 TYR N N 89 119.993 119.698 0.295 1
1 1124 . 11 1 1 A 90 90 ARG H H 90 8.127 8.003 0.124 1
1 1125 . 11 1 1 A 90 90 ARG HA H 90 4.119 4.174 -0.055 1
1 1132 . 11 1 1 A 90 90 ARG C C 90 176.628 177.881 -1.253 1
1 1133 . 11 1 1 A 90 90 ARG CA C 90 57.085 58.848 -1.763 1
1 1134 . 11 1 1 A 90 90 ARG CB C 90 30.568 30.133 0.435 1
1 1137 . 11 1 1 A 90 90 ARG N N 90 121.679 120.231 1.448 1
1 1138 . 11 1 1 A 91 91 GLN H H 91 8.232 7.924 0.308 1
1 1139 . 11 1 1 A 91 91 GLN HA H 91 4.179 4.274 -0.095 1
1 1146 . 11 1 1 A 91 91 GLN C C 91 176.491 174.695 1.796 1
1 1147 . 11 1 1 A 91 91 GLN CA C 91 56.800 55.607 1.193 1
1 1148 . 11 1 1 A 91 91 GLN CB C 91 29.129 28.287 0.842 1
1 1150 . 11 1 1 A 91 91 GLN N N 91 120.420 114.602 5.818 1
1 1152 . 11 1 1 A 92 92 LEU H H 92 8.118 7.211 0.907 1
1 1153 . 11 1 1 A 92 92 LEU HA H 92 4.269 4.980 -0.711 1
1 1162 . 11 1 1 A 92 92 LEU C C 92 177.632 174.753 2.879 1
1 1163 . 11 1 1 A 92 92 LEU CA C 92 55.419 53.408 2.011 1
1 1164 . 11 1 1 A 92 92 LEU CB C 92 42.238 45.280 -3.042 1
1 1167 . 11 1 1 A 92 92 LEU N N 92 122.670 123.045 -0.375 1
1 1168 . 11 1 1 A 93 93 HIS H H 93 8.049 9.210 -1.161 1
1 1169 . 11 1 1 A 93 93 HIS HA H 93 4.228 5.124 -0.896 1
1 1172 . 11 1 1 A 93 93 HIS C C 93 177.608 175.022 2.586 1
1 1173 . 11 1 1 A 93 93 HIS CA C 93 55.512 54.601 0.911 1
1 1174 . 11 1 1 A 93 93 HIS CB C 93 42.238 30.718 11.520 1
1 1175 . 11 1 1 A 93 93 HIS N N 93 121.742 126.383 -4.641 1
1 1176 . 11 1 1 A 94 94 HIS H H 94 8.153 8.714 -0.561 1
1 1177 . 11 1 1 A 94 94 HIS HA H 94 4.141 5.477 -1.336 1
1 1180 . 11 1 1 A 94 94 HIS CA C 94 56.804 53.693 3.111 1
1 1181 . 11 1 1 A 94 94 HIS CB C 94 30.254 32.857 -2.603 1
1 1182 . 11 1 1 A 94 94 HIS N N 94 120.504 120.419 0.085 1
1 1 . 12 1 1 A 2 2 TYR HA H 2 4.593 4.901 -0.308 1
1 8 . 12 1 1 A 2 2 TYR C C 2 174.805 174.214 0.591 1
1 9 . 12 1 1 A 2 2 TYR CA C 2 57.884 57.264 0.620 1
1 10 . 12 1 1 A 2 2 TYR CB C 2 38.790 41.108 -2.318 1
1 15 . 12 1 1 A 3 3 LEU H H 3 8.189 8.603 -0.414 1
1 16 . 12 1 1 A 3 3 LEU HA H 3 4.268 4.392 -0.124 1
1 25 . 12 1 1 A 3 3 LEU C C 3 176.110 176.722 -0.612 1
1 26 . 12 1 1 A 3 3 LEU CA C 3 54.574 54.127 0.447 1
1 27 . 12 1 1 A 3 3 LEU CB C 3 42.796 41.024 1.772 1
1 30 . 12 1 1 A 3 3 LEU N N 3 126.201 128.799 -2.598 1
1 31 . 12 1 1 A 4 4 LYS H H 4 8.132 8.699 -0.567 1
1 32 . 12 1 1 A 4 4 LYS HA H 4 4.336 3.777 0.559 1
1 35 . 12 1 1 A 4 4 LYS C C 4 175.828 176.136 -0.308 1
1 36 . 12 1 1 A 4 4 LYS CA C 4 56.186 57.812 -1.626 1
1 37 . 12 1 1 A 4 4 LYS CB C 4 33.084 33.149 -0.065 1
1 38 . 12 1 1 A 4 4 LYS N N 4 123.332 126.205 -2.873 1
1 39 . 12 1 1 A 5 5 ARG H H 5 8.537 7.578 0.959 1
1 40 . 12 1 1 A 5 5 ARG HA H 5 4.327 4.735 -0.408 1
1 47 . 12 1 1 A 5 5 ARG C C 5 176.158 174.627 1.531 1
1 48 . 12 1 1 A 5 5 ARG CA C 5 56.076 55.005 1.071 1
1 49 . 12 1 1 A 5 5 ARG CB C 5 31.028 32.824 -1.796 1
1 52 . 12 1 1 A 5 5 ARG N N 5 124.828 119.104 5.724 1
1 53 . 12 1 1 A 6 6 VAL H H 6 8.344 8.806 -0.462 1
1 54 . 12 1 1 A 6 6 VAL HA H 6 4.154 4.045 0.109 1
1 62 . 12 1 1 A 6 6 VAL C C 6 175.662 174.605 1.057 1
1 63 . 12 1 1 A 6 6 VAL CA C 6 61.973 62.952 -0.979 1
1 64 . 12 1 1 A 6 6 VAL CB C 6 32.937 30.747 2.190 1
1 66 . 12 1 1 A 6 6 VAL N N 6 122.153 126.842 -4.689 1
1 67 . 12 1 1 A 7 7 ASP H H 7 8.469 8.479 -0.010 1
1 68 . 12 1 1 A 7 7 ASP HA H 7 4.681 4.809 -0.128 1
1 71 . 12 1 1 A 7 7 ASP C C 7 176.217 176.278 -0.061 1
1 72 . 12 1 1 A 7 7 ASP CA C 7 54.202 52.711 1.491 1
1 73 . 12 1 1 A 7 7 ASP CB C 7 41.583 39.708 1.875 1
1 74 . 12 1 1 A 7 7 ASP N N 7 124.555 129.170 -4.615 1
1 75 . 12 1 1 A 8 8 GLY H H 8 8.185 8.480 -0.295 1
1 76 . 12 1 1 A 8 8 GLY HA2 H 8 4.184 4.089 0.095 1
1 77 . 12 1 1 A 8 8 GLY HA3 H 8 4.070 4.093 -0.023 1
1 78 . 12 1 1 A 8 8 GLY C C 8 171.436 173.995 -2.559 1
1 79 . 12 1 1 A 8 8 GLY CA C 8 44.634 44.687 -0.053 1
1 80 . 12 1 1 A 8 8 GLY N N 8 109.085 114.103 -5.018 1
1 81 . 12 1 1 A 9 9 PRO HA H 9 4.510 4.614 -0.104 1
1 88 . 12 1 1 A 9 9 PRO C C 9 176.784 177.527 -0.743 1
1 89 . 12 1 1 A 9 9 PRO CA C 9 62.869 63.563 -0.694 1
1 90 . 12 1 1 A 9 9 PRO CB C 9 32.364 32.549 -0.185 1
1 93 . 12 1 1 A 10 10 ARG H H 10 8.761 8.050 0.711 1
1 94 . 12 1 1 A 10 10 ARG HA H 10 4.165 3.872 0.293 1
1 99 . 12 1 1 A 10 10 ARG C C 10 175.911 174.750 1.161 1
1 100 . 12 1 1 A 10 10 ARG CA C 10 57.463 58.715 -1.252 1
1 101 . 12 1 1 A 10 10 ARG CB C 10 31.030 28.065 2.965 1
1 103 . 12 1 1 A 10 10 ARG N N 10 120.390 115.017 5.373 1
1 104 . 12 1 1 A 11 11 GLN H H 11 7.790 7.885 -0.095 1
1 105 . 12 1 1 A 11 11 GLN HA H 11 5.173 4.913 0.260 1
1 112 . 12 1 1 A 11 11 GLN C C 11 173.893 173.908 -0.015 1
1 113 . 12 1 1 A 11 11 GLN CA C 11 54.402 54.514 -0.112 1
1 114 . 12 1 1 A 11 11 GLN CB C 11 31.366 31.695 -0.329 1
1 116 . 12 1 1 A 11 11 GLN N N 11 114.694 112.460 2.234 1
1 118 . 12 1 1 A 12 12 VAL H H 12 8.803 9.219 -0.416 1
1 119 . 12 1 1 A 12 12 VAL HA H 12 4.625 4.883 -0.258 1
1 127 . 12 1 1 A 12 12 VAL C C 12 173.796 174.145 -0.349 1
1 128 . 12 1 1 A 12 12 VAL CA C 12 60.127 59.289 0.838 1
1 129 . 12 1 1 A 12 12 VAL CB C 12 35.590 35.495 0.095 1
1 132 . 12 1 1 A 12 12 VAL N N 12 115.575 116.827 -1.252 1
1 133 . 12 1 1 A 13 13 THR H H 13 8.553 8.484 0.069 1
1 134 . 12 1 1 A 13 13 THR HA H 13 4.772 4.876 -0.104 1
1 139 . 12 1 1 A 13 13 THR C C 13 174.526 173.875 0.651 1
1 140 . 12 1 1 A 13 13 THR CA C 13 61.880 61.547 0.333 1
1 141 . 12 1 1 A 13 13 THR CB C 13 69.319 70.122 -0.803 1
1 143 . 12 1 1 A 13 13 THR N N 13 119.282 117.136 2.146 1
1 144 . 12 1 1 A 14 14 LEU H H 14 9.254 8.982 0.272 1
1 145 . 12 1 1 A 14 14 LEU HA H 14 4.210 4.597 -0.387 1
1 155 . 12 1 1 A 14 14 LEU C C 14 177.361 176.708 0.653 1
1 156 . 12 1 1 A 14 14 LEU CA C 14 54.116 52.619 1.497 1
1 157 . 12 1 1 A 14 14 LEU CB C 14 39.546 42.064 -2.518 1
1 161 . 12 1 1 A 14 14 LEU N N 14 129.147 126.901 2.246 1
1 162 . 12 1 1 A 15 15 PRO HA H 15 4.294 4.522 -0.228 1
1 169 . 12 1 1 A 15 15 PRO C C 15 176.570 177.573 -1.003 1
1 170 . 12 1 1 A 15 15 PRO CA C 15 65.392 64.511 0.881 1
1 171 . 12 1 1 A 15 15 PRO CB C 15 31.808 31.766 0.042 1
1 174 . 12 1 1 A 16 16 ASP H H 16 7.397 8.088 -0.691 1
1 175 . 12 1 1 A 16 16 ASP HA H 16 4.486 4.817 -0.331 1
1 178 . 12 1 1 A 16 16 ASP C C 16 177.056 176.418 0.638 1
1 179 . 12 1 1 A 16 16 ASP CA C 16 53.157 53.415 -0.258 1
1 180 . 12 1 1 A 16 16 ASP CB C 16 39.987 40.327 -0.340 1
1 181 . 12 1 1 A 16 16 ASP N N 16 113.036 113.608 -0.572 1
1 182 . 12 1 1 A 17 17 GLY H H 17 8.399 8.130 0.269 1
1 183 . 12 1 1 A 17 17 GLY HA2 H 17 4.293 3.924 0.369 1
1 184 . 12 1 1 A 17 17 GLY HA3 H 17 3.481 3.931 -0.450 1
1 185 . 12 1 1 A 17 17 GLY C C 17 174.700 174.375 0.325 1
1 186 . 12 1 1 A 17 17 GLY CA C 17 44.998 45.790 -0.792 1
1 187 . 12 1 1 A 17 17 GLY N N 17 108.859 108.560 0.299 1
1 188 . 12 1 1 A 18 18 THR H H 18 8.003 7.870 0.133 1
1 189 . 12 1 1 A 18 18 THR HA H 18 4.151 4.602 -0.451 1
1 194 . 12 1 1 A 18 18 THR C C 18 172.576 173.435 -0.859 1
1 195 . 12 1 1 A 18 18 THR CA C 18 63.144 61.501 1.643 1
1 196 . 12 1 1 A 18 18 THR CB C 18 69.888 70.621 -0.733 1
1 198 . 12 1 1 A 18 18 THR N N 18 116.015 116.751 -0.736 1
1 199 . 12 1 1 A 19 19 VAL H H 19 8.384 8.664 -0.280 1
1 200 . 12 1 1 A 19 19 VAL HA H 19 4.726 4.703 0.023 1
1 208 . 12 1 1 A 19 19 VAL C C 19 175.823 173.916 1.907 1
1 209 . 12 1 1 A 19 19 VAL CA C 19 61.491 61.030 0.461 1
1 210 . 12 1 1 A 19 19 VAL CB C 19 33.757 33.676 0.081 1
1 213 . 12 1 1 A 19 19 VAL N N 19 121.723 122.387 -0.664 1
1 214 . 12 1 1 A 20 20 LEU H H 20 8.948 9.160 -0.212 1
1 215 . 12 1 1 A 20 20 LEU HA H 20 4.784 5.241 -0.457 1
1 225 . 12 1 1 A 20 20 LEU C C 20 174.749 175.023 -0.274 1
1 226 . 12 1 1 A 20 20 LEU CA C 20 53.616 53.348 0.268 1
1 227 . 12 1 1 A 20 20 LEU CB C 20 45.062 45.155 -0.093 1
1 231 . 12 1 1 A 20 20 LEU N N 20 129.673 130.792 -1.119 1
1 232 . 12 1 1 A 21 21 SER H H 21 9.246 8.944 0.302 1
1 233 . 12 1 1 A 21 21 SER HA H 21 5.207 4.740 0.467 1
1 236 . 12 1 1 A 21 21 SER C C 21 176.047 175.155 0.892 1
1 237 . 12 1 1 A 21 21 SER CA C 21 56.523 57.277 -0.754 1
1 238 . 12 1 1 A 21 21 SER CB C 21 66.369 65.777 0.592 1
1 239 . 12 1 1 A 21 21 SER N N 21 120.387 123.861 -3.474 1
1 240 . 12 1 1 A 22 22 ARG H H 22 8.847 8.999 -0.152 1
1 241 . 12 1 1 A 22 22 ARG HA H 22 3.868 4.112 -0.244 1
1 248 . 12 1 1 A 22 22 ARG C C 22 178.388 177.017 1.371 1
1 249 . 12 1 1 A 22 22 ARG CA C 22 60.207 59.709 0.498 1
1 250 . 12 1 1 A 22 22 ARG CB C 22 29.118 29.712 -0.594 1
1 253 . 12 1 1 A 22 22 ARG N N 22 122.878 125.155 -2.277 1
1 254 . 12 1 1 A 23 23 ALA H H 23 8.243 7.827 0.416 1
1 255 . 12 1 1 A 23 23 ALA HA H 23 4.175 4.267 -0.092 1
1 259 . 12 1 1 A 23 23 ALA C C 23 177.763 178.181 -0.418 1
1 260 . 12 1 1 A 23 23 ALA CA C 23 54.000 52.421 1.579 1
1 261 . 12 1 1 A 23 23 ALA CB C 23 18.461 19.532 -1.071 1
1 262 . 12 1 1 A 23 23 ALA N N 23 121.050 121.873 -0.823 1
1 263 . 12 1 1 A 24 24 ASP H H 24 7.597 7.967 -0.370 1
1 264 . 12 1 1 A 24 24 ASP HA H 24 4.632 4.688 -0.056 1
1 267 . 12 1 1 A 24 24 ASP C C 24 176.608 176.457 0.151 1
1 268 . 12 1 1 A 24 24 ASP CA C 24 54.726 55.305 -0.579 1
1 269 . 12 1 1 A 24 24 ASP CB C 24 42.026 41.747 0.279 1
1 270 . 12 1 1 A 24 24 ASP N N 24 115.095 117.585 -2.490 1
1 271 . 12 1 1 A 25 25 LEU H H 25 7.311 6.969 0.342 1
1 272 . 12 1 1 A 25 25 LEU HA H 25 4.402 4.492 -0.090 1
1 282 . 12 1 1 A 25 25 LEU C C 25 174.724 174.898 -0.174 1
1 283 . 12 1 1 A 25 25 LEU CA C 25 53.307 53.909 -0.602 1
1 284 . 12 1 1 A 25 25 LEU CB C 25 40.047 41.346 -1.299 1
1 288 . 12 1 1 A 25 25 LEU N N 25 119.781 122.420 -2.639 1
1 289 . 12 1 1 A 26 26 PRO HA H 26 4.745 4.642 0.103 1
1 296 . 12 1 1 A 26 26 PRO CA C 26 61.496 61.920 -0.424 1
1 297 . 12 1 1 A 26 26 PRO CB C 26 30.700 31.713 -1.013 1
1 300 . 12 1 1 A 27 27 PRO HA H 27 4.598 4.606 -0.008 1
1 307 . 12 1 1 A 27 27 PRO C C 27 178.036 176.885 1.151 1
1 308 . 12 1 1 A 27 27 PRO CA C 27 62.923 62.750 0.173 1
1 309 . 12 1 1 A 27 27 PRO CB C 27 32.758 32.447 0.311 1
1 312 . 12 1 1 A 28 28 LEU H H 28 8.880 8.495 0.385 1
1 313 . 12 1 1 A 28 28 LEU HA H 28 4.177 4.351 -0.174 1
1 323 . 12 1 1 A 28 28 LEU C C 28 176.873 178.039 -1.166 1
1 324 . 12 1 1 A 28 28 LEU CA C 28 57.833 56.805 1.028 1
1 325 . 12 1 1 A 28 28 LEU CB C 28 41.291 41.412 -0.121 1
1 329 . 12 1 1 A 28 28 LEU N N 28 122.643 122.355 0.288 1
1 330 . 12 1 1 A 29 29 ASP H H 29 8.203 8.000 0.203 1
1 331 . 12 1 1 A 29 29 ASP HA H 29 4.615 4.633 -0.018 1
1 334 . 12 1 1 A 29 29 ASP C C 29 176.158 176.263 -0.105 1
1 335 . 12 1 1 A 29 29 ASP CA C 29 53.098 55.080 -1.982 1
1 336 . 12 1 1 A 29 29 ASP CB C 29 39.311 41.757 -2.446 1
1 337 . 12 1 1 A 29 29 ASP N N 29 115.741 117.209 -1.468 1
1 338 . 12 1 1 A 30 30 THR H H 30 7.516 7.099 0.417 1
1 339 . 12 1 1 A 30 30 THR HA H 30 3.599 4.155 -0.556 1
1 344 . 12 1 1 A 30 30 THR C C 30 174.366 173.792 0.574 1
1 345 . 12 1 1 A 30 30 THR CA C 30 65.815 61.638 4.177 1
1 346 . 12 1 1 A 30 30 THR CB C 30 69.989 68.406 1.583 1
1 348 . 12 1 1 A 30 30 THR N N 30 116.808 113.637 3.171 1
1 349 . 12 1 1 A 31 31 ARG H H 31 8.482 8.594 -0.112 1
1 350 . 12 1 1 A 31 31 ARG HA H 31 4.583 4.531 0.052 1
1 358 . 12 1 1 A 31 31 ARG CA C 31 55.399 56.594 -1.195 1
1 359 . 12 1 1 A 31 31 ARG CB C 31 32.296 31.544 0.752 1
1 362 . 12 1 1 A 31 31 ARG N N 31 124.991 128.580 -3.589 1
1 364 . 12 1 1 A 32 32 ARG HA H 32 4.523 4.356 0.167 1
1 372 . 12 1 1 A 32 32 ARG C C 32 175.341 176.080 -0.739 1
1 373 . 12 1 1 A 32 32 ARG CA C 32 54.759 55.896 -1.137 1
1 374 . 12 1 1 A 32 32 ARG CB C 32 30.348 29.139 1.209 1
1 378 . 12 1 1 A 33 33 TRP H H 33 8.923 8.531 0.392 1
1 379 . 12 1 1 A 33 33 TRP HA H 33 4.292 4.686 -0.394 1
1 388 . 12 1 1 A 33 33 TRP C C 33 176.208 176.401 -0.193 1
1 389 . 12 1 1 A 33 33 TRP CA C 33 56.923 57.588 -0.665 1
1 390 . 12 1 1 A 33 33 TRP CB C 33 28.492 28.833 -0.341 1
1 396 . 12 1 1 A 33 33 TRP N N 33 128.804 124.418 4.386 1
1 398 . 12 1 1 A 34 34 VAL H H 34 6.953 8.374 -1.421 1
1 399 . 12 1 1 A 34 34 VAL HA H 34 4.451 4.448 0.003 1
1 407 . 12 1 1 A 34 34 VAL C C 34 177.217 176.834 0.383 1
1 408 . 12 1 1 A 34 34 VAL CA C 34 60.180 60.681 -0.501 1
1 409 . 12 1 1 A 34 34 VAL CB C 34 32.686 34.048 -1.362 1
1 412 . 12 1 1 A 34 34 VAL N N 34 114.683 123.631 -8.948 1
1 413 . 12 1 1 A 35 35 ALA HA H 35 3.745 3.884 -0.139 1
1 417 . 12 1 1 A 35 35 ALA C C 35 180.114 179.814 0.300 1
1 418 . 12 1 1 A 35 35 ALA CA C 35 56.618 55.509 1.109 1
1 419 . 12 1 1 A 35 35 ALA CB C 35 18.334 18.156 0.178 1
1 420 . 12 1 1 A 36 36 SER H H 36 8.841 7.963 0.878 1
1 421 . 12 1 1 A 36 36 SER HA H 36 4.140 4.115 0.025 1
1 424 . 12 1 1 A 36 36 SER C C 36 177.291 175.892 1.399 1
1 425 . 12 1 1 A 36 36 SER CA C 36 61.250 61.134 0.116 1
1 426 . 12 1 1 A 36 36 SER CB C 36 61.673 62.992 -1.319 1
1 427 . 12 1 1 A 36 36 SER N N 36 111.913 112.836 -0.923 1
1 428 . 12 1 1 A 37 37 ARG H H 37 7.183 7.311 -0.128 1
1 429 . 12 1 1 A 37 37 ARG HA H 37 4.349 4.237 0.112 1
1 436 . 12 1 1 A 37 37 ARG C C 37 177.816 178.570 -0.754 1
1 437 . 12 1 1 A 37 37 ARG CA C 37 58.944 58.807 0.137 1
1 438 . 12 1 1 A 37 37 ARG CB C 37 31.009 30.632 0.377 1
1 441 . 12 1 1 A 37 37 ARG N N 37 123.504 121.502 2.002 1
1 442 . 12 1 1 A 38 38 LYS H H 38 7.514 7.935 -0.421 1
1 443 . 12 1 1 A 38 38 LYS HA H 38 3.592 3.452 0.140 1
1 452 . 12 1 1 A 38 38 LYS C C 38 178.935 179.076 -0.141 1
1 453 . 12 1 1 A 38 38 LYS CA C 38 59.846 59.124 0.722 1
1 454 . 12 1 1 A 38 38 LYS CB C 38 33.310 31.618 1.692 1
1 458 . 12 1 1 A 38 38 LYS N N 38 118.200 119.074 -0.874 1
1 459 . 12 1 1 A 39 39 ALA H H 39 8.131 8.293 -0.162 1
1 460 . 12 1 1 A 39 39 ALA HA H 39 3.865 4.069 -0.204 1
1 464 . 12 1 1 A 39 39 ALA C C 39 178.995 179.753 -0.758 1
1 465 . 12 1 1 A 39 39 ALA CA C 39 55.093 54.950 0.143 1
1 466 . 12 1 1 A 39 39 ALA CB C 39 18.124 17.936 0.188 1
1 467 . 12 1 1 A 39 39 ALA N N 39 117.547 122.218 -4.671 1
1 468 . 12 1 1 A 40 40 ALA H H 40 7.375 7.710 -0.335 1
1 469 . 12 1 1 A 40 40 ALA HA H 40 4.134 4.127 0.007 1
1 473 . 12 1 1 A 40 40 ALA C C 40 179.512 179.979 -0.467 1
1 474 . 12 1 1 A 40 40 ALA CA C 40 55.506 55.243 0.263 1
1 475 . 12 1 1 A 40 40 ALA CB C 40 18.473 18.399 0.074 1
1 476 . 12 1 1 A 40 40 ALA N N 40 119.346 119.897 -0.551 1
1 477 . 12 1 1 A 41 41 VAL H H 41 7.382 8.058 -0.676 1
1 478 . 12 1 1 A 41 41 VAL HA H 41 3.642 3.793 -0.151 1
1 486 . 12 1 1 A 41 41 VAL C C 41 177.423 178.562 -1.139 1
1 487 . 12 1 1 A 41 41 VAL CA C 41 67.279 67.225 0.054 1
1 488 . 12 1 1 A 41 41 VAL CB C 41 32.149 31.858 0.291 1
1 491 . 12 1 1 A 41 41 VAL N N 41 116.434 118.228 -1.794 1
1 492 . 12 1 1 A 42 42 VAL H H 42 8.332 8.240 0.092 1
1 493 . 12 1 1 A 42 42 VAL HA H 42 3.723 4.013 -0.290 1
1 501 . 12 1 1 A 42 42 VAL C C 42 178.381 178.033 0.348 1
1 502 . 12 1 1 A 42 42 VAL CA C 42 67.698 65.512 2.186 1
1 503 . 12 1 1 A 42 42 VAL CB C 42 32.170 31.334 0.836 1
1 506 . 12 1 1 A 42 42 VAL N N 42 118.061 120.575 -2.514 1
1 507 . 12 1 1 A 43 43 LYS H H 43 8.973 8.384 0.589 1
1 508 . 12 1 1 A 43 43 LYS HA H 43 3.977 4.089 -0.112 1
1 517 . 12 1 1 A 43 43 LYS C C 43 177.830 179.325 -1.495 1
1 518 . 12 1 1 A 43 43 LYS CA C 43 60.343 59.467 0.876 1
1 519 . 12 1 1 A 43 43 LYS CB C 43 32.863 32.151 0.712 1
1 523 . 12 1 1 A 43 43 LYS N N 43 118.026 122.427 -4.401 1
1 524 . 12 1 1 A 44 44 ALA H H 44 7.959 8.093 -0.134 1
1 525 . 12 1 1 A 44 44 ALA HA H 44 3.968 4.100 -0.132 1
1 529 . 12 1 1 A 44 44 ALA C C 44 178.921 179.909 -0.988 1
1 530 . 12 1 1 A 44 44 ALA CA C 44 55.324 55.300 0.024 1
1 531 . 12 1 1 A 44 44 ALA CB C 44 19.816 18.378 1.438 1
1 532 . 12 1 1 A 44 44 ALA N N 44 119.893 122.480 -2.587 1
1 533 . 12 1 1 A 45 45 VAL H H 45 7.789 7.700 0.089 1
1 534 . 12 1 1 A 45 45 VAL HA H 45 4.494 3.963 0.531 1
1 542 . 12 1 1 A 45 45 VAL C C 45 180.590 178.314 2.276 1
1 543 . 12 1 1 A 45 45 VAL CA C 45 64.383 66.831 -2.448 1
1 544 . 12 1 1 A 45 45 VAL CB C 45 32.456 31.505 0.951 1
1 547 . 12 1 1 A 45 45 VAL N N 45 118.569 117.909 0.660 1
1 548 . 12 1 1 A 46 46 ILE H H 46 8.945 7.911 1.034 1
1 549 . 12 1 1 A 46 46 ILE HA H 46 3.689 3.838 -0.149 1
1 559 . 12 1 1 A 46 46 ILE C C 46 178.437 177.394 1.043 1
1 560 . 12 1 1 A 46 46 ILE CA C 46 65.391 63.774 1.617 1
1 561 . 12 1 1 A 46 46 ILE CB C 46 38.182 37.346 0.836 1
1 565 . 12 1 1 A 46 46 ILE N N 46 121.331 119.598 1.733 1
1 566 . 12 1 1 A 47 47 HIS H H 47 8.030 7.482 0.548 1
1 567 . 12 1 1 A 47 47 HIS HA H 47 4.663 4.660 0.003 1
1 572 . 12 1 1 A 47 47 HIS C C 47 175.308 175.238 0.070 1
1 573 . 12 1 1 A 47 47 HIS CA C 47 56.736 55.927 0.809 1
1 574 . 12 1 1 A 47 47 HIS CB C 47 29.482 30.159 -0.677 1
1 577 . 12 1 1 A 47 47 HIS N N 47 113.700 118.141 -4.441 1
1 578 . 12 1 1 A 48 48 GLY H H 48 7.543 7.626 -0.083 1
1 579 . 12 1 1 A 48 48 GLY HA2 H 48 4.026 3.911 0.115 1
1 580 . 12 1 1 A 48 48 GLY HA3 H 48 3.904 3.920 -0.016 1
1 581 . 12 1 1 A 48 48 GLY C C 48 175.172 175.161 0.011 1
1 582 . 12 1 1 A 48 48 GLY CA C 48 46.740 46.277 0.463 1
1 583 . 12 1 1 A 48 48 GLY N N 48 106.113 107.697 -1.584 1
1 584 . 12 1 1 A 49 49 LEU H H 49 8.803 7.962 0.841 1
1 585 . 12 1 1 A 49 49 LEU HA H 49 4.090 4.090 0.000 1
1 595 . 12 1 1 A 49 49 LEU C C 49 176.111 176.330 -0.219 1
1 596 . 12 1 1 A 49 49 LEU CA C 49 57.575 57.262 0.313 1
1 597 . 12 1 1 A 49 49 LEU CB C 49 42.969 42.893 0.076 1
1 601 . 12 1 1 A 49 49 LEU N N 49 122.636 122.027 0.609 1
1 602 . 12 1 1 A 50 50 ILE H H 50 7.257 7.333 -0.076 1
1 603 . 12 1 1 A 50 50 ILE HA H 50 4.689 4.809 -0.120 1
1 613 . 12 1 1 A 50 50 ILE C C 50 174.994 174.439 0.555 1
1 614 . 12 1 1 A 50 50 ILE CA C 50 58.262 58.769 -0.507 1
1 615 . 12 1 1 A 50 50 ILE CB C 50 41.641 41.617 0.024 1
1 619 . 12 1 1 A 50 50 ILE N N 50 107.650 114.278 -6.628 1
1 620 . 12 1 1 A 51 51 THR H H 51 8.677 8.443 0.234 1
1 621 . 12 1 1 A 51 51 THR HA H 51 4.466 4.645 -0.179 1
1 627 . 12 1 1 A 51 51 THR C C 51 175.227 175.260 -0.033 1
1 628 . 12 1 1 A 51 51 THR CA C 51 60.728 60.629 0.099 1
1 629 . 12 1 1 A 51 51 THR CB C 51 71.216 70.266 0.950 1
1 631 . 12 1 1 A 51 51 THR N N 51 111.798 116.962 -5.164 1
1 632 . 12 1 1 A 52 52 GLU H H 52 9.034 9.004 0.030 1
1 633 . 12 1 1 A 52 52 GLU HA H 52 3.507 3.567 -0.060 1
1 638 . 12 1 1 A 52 52 GLU C C 52 177.287 178.025 -0.738 1
1 639 . 12 1 1 A 52 52 GLU CA C 52 60.515 59.627 0.888 1
1 640 . 12 1 1 A 52 52 GLU CB C 52 29.418 29.122 0.296 1
1 642 . 12 1 1 A 52 52 GLU N N 52 122.067 126.043 -3.976 1
1 643 . 12 1 1 A 53 53 ARG H H 53 8.213 7.392 0.821 1
1 644 . 12 1 1 A 53 53 ARG HA H 53 3.740 4.003 -0.263 1
1 652 . 12 1 1 A 53 53 ARG C C 53 177.698 178.903 -1.205 1
1 653 . 12 1 1 A 53 53 ARG CA C 53 58.635 59.168 -0.533 1
1 654 . 12 1 1 A 53 53 ARG CB C 53 30.257 29.729 0.528 1
1 658 . 12 1 1 A 53 53 ARG N N 53 116.853 119.255 -2.402 1
1 660 . 12 1 1 A 54 54 GLU H H 54 7.747 8.106 -0.359 1
1 661 . 12 1 1 A 54 54 GLU HA H 54 3.978 4.032 -0.054 1
1 666 . 12 1 1 A 54 54 GLU C C 54 178.915 178.366 0.549 1
1 667 . 12 1 1 A 54 54 GLU CA C 54 59.312 59.355 -0.043 1
1 668 . 12 1 1 A 54 54 GLU CB C 54 29.678 29.269 0.409 1
1 670 . 12 1 1 A 54 54 GLU N N 54 118.040 119.227 -1.187 1
1 671 . 12 1 1 A 55 55 ALA H H 55 7.932 7.904 0.028 1
1 672 . 12 1 1 A 55 55 ALA HA H 55 3.694 4.216 -0.522 1
1 676 . 12 1 1 A 55 55 ALA C C 55 178.383 180.654 -2.271 1
1 677 . 12 1 1 A 55 55 ALA CA C 55 55.871 55.210 0.661 1
1 678 . 12 1 1 A 55 55 ALA CB C 55 17.664 17.961 -0.297 1
1 679 . 12 1 1 A 55 55 ALA N N 55 122.121 122.535 -0.414 1
1 680 . 12 1 1 A 56 56 LEU H H 56 8.110 7.871 0.239 1
1 681 . 12 1 1 A 56 56 LEU HA H 56 3.605 3.919 -0.314 1
1 691 . 12 1 1 A 56 56 LEU C C 56 180.273 178.184 2.089 1
1 692 . 12 1 1 A 56 56 LEU CA C 56 58.167 57.690 0.477 1
1 693 . 12 1 1 A 56 56 LEU CB C 56 39.563 41.466 -1.903 1
1 697 . 12 1 1 A 56 56 LEU N N 56 114.908 118.770 -3.862 1
1 698 . 12 1 1 A 57 57 ASP H H 57 8.080 7.936 0.144 1
1 699 . 12 1 1 A 57 57 ASP HA H 57 4.353 4.491 -0.138 1
1 702 . 12 1 1 A 57 57 ASP C C 57 179.121 177.812 1.309 1
1 703 . 12 1 1 A 57 57 ASP CA C 57 56.644 55.651 0.993 1
1 704 . 12 1 1 A 57 57 ASP CB C 57 40.909 41.276 -0.367 1
1 705 . 12 1 1 A 57 57 ASP N N 57 117.019 117.890 -0.871 1
1 706 . 12 1 1 A 58 58 ARG H H 58 8.584 8.452 0.132 1
1 707 . 12 1 1 A 58 58 ARG HA H 58 3.728 4.063 -0.335 1
1 715 . 12 1 1 A 58 58 ARG C C 58 177.362 176.330 1.032 1
1 716 . 12 1 1 A 58 58 ARG CA C 58 59.141 57.651 1.490 1
1 717 . 12 1 1 A 58 58 ARG CB C 58 30.462 29.044 1.418 1
1 720 . 12 1 1 A 58 58 ARG N N 58 119.926 117.967 1.959 1
1 722 . 12 1 1 A 59 59 TYR H H 59 7.133 7.318 -0.185 1
1 723 . 12 1 1 A 59 59 TYR HA H 59 5.018 4.790 0.228 1
1 730 . 12 1 1 A 59 59 TYR C C 59 173.865 174.864 -0.999 1
1 731 . 12 1 1 A 59 59 TYR CA C 59 57.348 57.771 -0.423 1
1 732 . 12 1 1 A 59 59 TYR CB C 59 38.052 39.402 -1.350 1
1 737 . 12 1 1 A 59 59 TYR N N 59 111.796 118.238 -6.442 1
1 738 . 12 1 1 A 60 60 SER H H 60 7.542 8.073 -0.531 1
1 739 . 12 1 1 A 60 60 SER HA H 60 4.082 4.154 -0.072 1
1 742 . 12 1 1 A 60 60 SER C C 60 176.402 173.692 2.710 1
1 743 . 12 1 1 A 60 60 SER CA C 60 58.482 59.216 -0.734 1
1 744 . 12 1 1 A 60 60 SER CB C 60 61.229 61.070 0.159 1
1 745 . 12 1 1 A 60 60 SER N N 60 114.624 111.720 2.904 1
1 746 . 12 1 1 A 61 61 LEU H H 61 8.228 8.046 0.182 1
1 747 . 12 1 1 A 61 61 LEU HA H 61 4.583 4.557 0.026 1
1 757 . 12 1 1 A 61 61 LEU C C 61 176.463 176.573 -0.110 1
1 758 . 12 1 1 A 61 61 LEU CA C 61 52.478 53.957 -1.479 1
1 759 . 12 1 1 A 61 61 LEU CB C 61 45.873 42.785 3.088 1
1 763 . 12 1 1 A 61 61 LEU N N 61 119.424 121.401 -1.977 1
1 764 . 12 1 1 A 62 62 SER H H 62 8.376 8.823 -0.447 1
1 765 . 12 1 1 A 62 62 SER HA H 62 4.555 4.663 -0.108 1
1 768 . 12 1 1 A 62 62 SER C C 62 175.088 175.378 -0.290 1
1 769 . 12 1 1 A 62 62 SER CA C 62 56.123 57.082 -0.959 1
1 770 . 12 1 1 A 62 62 SER CB C 62 65.560 65.567 -0.007 1
1 771 . 12 1 1 A 62 62 SER N N 62 115.890 117.071 -1.181 1
1 772 . 12 1 1 A 63 63 GLU H H 63 9.204 9.094 0.110 1
1 773 . 12 1 1 A 63 63 GLU HA H 63 3.806 3.937 -0.131 1
1 778 . 12 1 1 A 63 63 GLU C C 63 179.412 178.260 1.152 1
1 779 . 12 1 1 A 63 63 GLU CA C 63 60.338 59.694 0.644 1
1 780 . 12 1 1 A 63 63 GLU CB C 63 29.354 29.437 -0.083 1
1 782 . 12 1 1 A 63 63 GLU N N 63 122.263 124.045 -1.782 1
1 783 . 12 1 1 A 64 64 GLU H H 64 8.859 8.501 0.358 1
1 784 . 12 1 1 A 64 64 GLU HA H 64 3.969 4.037 -0.068 1
1 789 . 12 1 1 A 64 64 GLU C C 64 178.700 178.914 -0.214 1
1 790 . 12 1 1 A 64 64 GLU CA C 64 59.822 59.081 0.741 1
1 791 . 12 1 1 A 64 64 GLU CB C 64 29.210 28.764 0.446 1
1 793 . 12 1 1 A 64 64 GLU N N 64 119.056 117.653 1.403 1
1 794 . 12 1 1 A 65 65 GLU H H 65 7.864 8.086 -0.222 1
1 795 . 12 1 1 A 65 65 GLU HA H 65 3.960 3.984 -0.024 1
1 800 . 12 1 1 A 65 65 GLU C C 65 177.783 178.523 -0.740 1
1 801 . 12 1 1 A 65 65 GLU CA C 65 58.817 59.325 -0.508 1
1 802 . 12 1 1 A 65 65 GLU CB C 65 29.452 29.201 0.251 1
1 804 . 12 1 1 A 65 65 GLU N N 65 121.783 120.409 1.374 1
1 805 . 12 1 1 A 66 66 PHE H H 66 7.918 7.796 0.122 1
1 806 . 12 1 1 A 66 66 PHE HA H 66 3.294 3.593 -0.299 1
1 814 . 12 1 1 A 66 66 PHE C C 66 177.021 177.911 -0.890 1
1 815 . 12 1 1 A 66 66 PHE CA C 66 61.197 61.269 -0.072 1
1 816 . 12 1 1 A 66 66 PHE CB C 66 39.279 38.923 0.356 1
1 820 . 12 1 1 A 66 66 PHE N N 66 117.902 120.139 -2.237 1
1 821 . 12 1 1 A 67 67 ALA H H 67 8.011 8.431 -0.420 1
1 822 . 12 1 1 A 67 67 ALA HA H 67 3.839 4.043 -0.204 1
1 826 . 12 1 1 A 67 67 ALA C C 67 181.069 179.733 1.336 1
1 827 . 12 1 1 A 67 67 ALA CA C 67 55.296 55.295 0.001 1
1 828 . 12 1 1 A 67 67 ALA CB C 67 17.648 17.983 -0.335 1
1 829 . 12 1 1 A 67 67 ALA N N 67 119.951 121.204 -1.253 1
1 830 . 12 1 1 A 68 68 LEU H H 68 7.431 7.899 -0.468 1
1 831 . 12 1 1 A 68 68 LEU HA H 68 4.162 4.035 0.127 1
1 841 . 12 1 1 A 68 68 LEU C C 68 180.631 179.482 1.149 1
1 842 . 12 1 1 A 68 68 LEU CA C 68 57.621 57.951 -0.330 1
1 843 . 12 1 1 A 68 68 LEU CB C 68 41.083 42.232 -1.149 1
1 847 . 12 1 1 A 68 68 LEU N N 68 119.888 118.516 1.372 1
1 848 . 12 1 1 A 69 69 TRP H H 69 8.288 8.251 0.037 1
1 849 . 12 1 1 A 69 69 TRP HA H 69 4.341 4.250 0.091 1
1 858 . 12 1 1 A 69 69 TRP C C 69 179.178 179.290 -0.112 1
1 859 . 12 1 1 A 69 69 TRP CA C 69 59.228 60.179 -0.951 1
1 860 . 12 1 1 A 69 69 TRP CB C 69 28.387 28.841 -0.454 1
1 866 . 12 1 1 A 69 69 TRP N N 69 122.616 118.918 3.698 1
1 868 . 12 1 1 A 70 70 ARG H H 70 8.291 8.205 0.086 1
1 869 . 12 1 1 A 70 70 ARG HA H 70 3.743 3.990 -0.247 1
1 877 . 12 1 1 A 70 70 ARG C C 70 178.811 178.247 0.564 1
1 878 . 12 1 1 A 70 70 ARG CA C 70 59.614 58.589 1.025 1
1 879 . 12 1 1 A 70 70 ARG CB C 70 30.171 29.703 0.468 1
1 882 . 12 1 1 A 70 70 ARG N N 70 117.864 118.052 -0.188 1
1 884 . 12 1 1 A 71 71 SER H H 71 8.000 7.585 0.415 1
1 885 . 12 1 1 A 71 71 SER HA H 71 4.212 4.215 -0.003 1
1 888 . 12 1 1 A 71 71 SER C C 71 176.074 177.157 -1.083 1
1 889 . 12 1 1 A 71 71 SER CA C 71 61.074 61.465 -0.391 1
1 890 . 12 1 1 A 71 71 SER CB C 71 62.891 62.673 0.218 1
1 891 . 12 1 1 A 71 71 SER N N 71 114.582 115.461 -0.879 1
1 892 . 12 1 1 A 72 72 ALA H H 72 7.816 7.934 -0.118 1
1 893 . 12 1 1 A 72 72 ALA HA H 72 4.230 4.184 0.046 1
1 897 . 12 1 1 A 72 72 ALA C C 72 179.631 180.266 -0.635 1
1 898 . 12 1 1 A 72 72 ALA CA C 72 54.245 55.087 -0.842 1
1 899 . 12 1 1 A 72 72 ALA CB C 72 18.687 18.462 0.225 1
1 900 . 12 1 1 A 72 72 ALA N N 72 124.141 123.688 0.453 1
1 901 . 12 1 1 A 73 73 VAL H H 73 7.728 8.162 -0.434 1
1 902 . 12 1 1 A 73 73 VAL HA H 73 3.850 3.607 0.243 1
1 910 . 12 1 1 A 73 73 VAL C C 73 177.286 178.098 -0.812 1
1 911 . 12 1 1 A 73 73 VAL CA C 73 64.163 66.295 -2.132 1
1 912 . 12 1 1 A 73 73 VAL CB C 73 32.466 31.646 0.820 1
1 915 . 12 1 1 A 73 73 VAL N N 73 117.289 118.461 -1.172 1
1 916 . 12 1 1 A 74 74 ALA H H 74 7.960 7.878 0.082 1
1 917 . 12 1 1 A 74 74 ALA HA H 74 4.195 4.303 -0.108 1
1 921 . 12 1 1 A 74 74 ALA C C 74 178.318 179.388 -1.070 1
1 922 . 12 1 1 A 74 74 ALA CA C 74 53.559 55.191 -1.632 1
1 923 . 12 1 1 A 74 74 ALA CB C 74 18.612 18.600 0.012 1
1 924 . 12 1 1 A 74 74 ALA N N 74 123.977 122.251 1.726 1
1 925 . 12 1 1 A 75 75 ALA H H 75 7.889 7.620 0.269 1
1 926 . 12 1 1 A 75 75 ALA HA H 75 4.214 4.101 0.113 1
1 930 . 12 1 1 A 75 75 ALA C C 75 178.233 177.793 0.440 1
1 931 . 12 1 1 A 75 75 ALA CA C 75 53.242 52.674 0.568 1
1 932 . 12 1 1 A 75 75 ALA CB C 75 18.812 18.070 0.742 1
1 933 . 12 1 1 A 75 75 ALA N N 75 120.956 119.609 1.347 1
1 934 . 12 1 1 A 76 76 HIS H H 76 8.057 8.002 0.055 1
1 935 . 12 1 1 A 76 76 HIS HA H 76 4.585 4.507 0.078 1
1 939 . 12 1 1 A 76 76 HIS C C 76 176.217 175.370 0.847 1
1 940 . 12 1 1 A 76 76 HIS CA C 76 56.644 56.962 -0.318 1
1 941 . 12 1 1 A 76 76 HIS CB C 76 30.282 30.331 -0.049 1
1 943 . 12 1 1 A 76 76 HIS N N 76 117.302 117.302 0.000 1
1 944 . 12 1 1 A 77 77 GLY H H 77 8.229 7.462 0.767 1
1 945 . 12 1 1 A 77 77 GLY HA2 H 77 3.951 3.919 0.032 1
1 946 . 12 1 1 A 77 77 GLY HA3 H 77 3.951 3.941 0.010 1
1 947 . 12 1 1 A 77 77 GLY C C 77 174.415 174.891 -0.476 1
1 948 . 12 1 1 A 77 77 GLY CA C 77 45.560 46.818 -1.258 1
1 949 . 12 1 1 A 77 77 GLY N N 77 109.118 107.048 2.070 1
1 950 . 12 1 1 A 78 78 GLU H H 78 8.335 8.324 0.011 1
1 951 . 12 1 1 A 78 78 GLU HA H 78 4.210 4.201 0.009 1
1 956 . 12 1 1 A 78 78 GLU C C 78 177.052 177.870 -0.818 1
1 957 . 12 1 1 A 78 78 GLU CA C 78 56.836 58.024 -1.188 1
1 958 . 12 1 1 A 78 78 GLU CB C 78 30.136 30.393 -0.257 1
1 960 . 12 1 1 A 78 78 GLU N N 78 120.947 121.257 -0.310 1
1 961 . 12 1 1 A 79 79 LYS H H 79 8.299 7.802 0.497 1
1 962 . 12 1 1 A 79 79 LYS HA H 79 4.205 4.200 0.005 1
1 971 . 12 1 1 A 79 79 LYS C C 79 176.656 176.763 -0.107 1
1 972 . 12 1 1 A 79 79 LYS CA C 79 57.057 58.310 -1.253 1
1 973 . 12 1 1 A 79 79 LYS CB C 79 32.811 33.191 -0.380 1
1 977 . 12 1 1 A 79 79 LYS N N 79 121.638 118.511 3.127 1
1 978 . 12 1 1 A 80 80 ALA H H 80 8.142 7.812 0.330 1
1 979 . 12 1 1 A 80 80 ALA HA H 80 4.245 4.838 -0.593 1
1 983 . 12 1 1 A 80 80 ALA C C 80 177.868 175.956 1.912 1
1 984 . 12 1 1 A 80 80 ALA CA C 80 52.706 50.706 2.000 1
1 985 . 12 1 1 A 80 80 ALA CB C 80 19.117 21.971 -2.854 1
1 986 . 12 1 1 A 80 80 ALA N N 80 123.770 119.703 4.067 1
1 987 . 12 1 1 A 81 81 LEU H H 81 8.040 9.299 -1.259 1
1 988 . 12 1 1 A 81 81 LEU HA H 81 4.245 5.016 -0.771 1
1 998 . 12 1 1 A 81 81 LEU C C 81 177.434 175.651 1.783 1
1 999 . 12 1 1 A 81 81 LEU CA C 81 55.673 54.395 1.278 1
1 1000 . 12 1 1 A 81 81 LEU CB C 81 42.160 43.233 -1.073 1
1 1004 . 12 1 1 A 81 81 LEU N N 81 120.893 123.882 -2.989 1
1 1005 . 12 1 1 A 82 82 LYS H H 82 8.178 8.426 -0.248 1
1 1006 . 12 1 1 A 82 82 LYS HA H 82 4.283 4.327 -0.044 1
1 1015 . 12 1 1 A 82 82 LYS C C 82 176.810 177.904 -1.094 1
1 1016 . 12 1 1 A 82 82 LYS CA C 82 56.715 56.301 0.414 1
1 1017 . 12 1 1 A 82 82 LYS CB C 82 32.846 33.991 -1.145 1
1 1021 . 12 1 1 A 82 82 LYS N N 82 121.957 125.997 -4.040 1
1 1022 . 12 1 1 A 83 83 VAL H H 83 8.123 8.552 -0.429 1
1 1023 . 12 1 1 A 83 83 VAL HA H 83 4.093 3.912 0.181 1
1 1031 . 12 1 1 A 83 83 VAL C C 83 176.604 177.867 -1.263 1
1 1032 . 12 1 1 A 83 83 VAL CA C 83 62.964 65.276 -2.312 1
1 1033 . 12 1 1 A 83 83 VAL CB C 83 32.742 31.796 0.946 1
1 1036 . 12 1 1 A 83 83 VAL N N 83 121.150 127.221 -6.071 1
1 1037 . 12 1 1 A 84 84 THR H H 84 8.162 8.005 0.157 1
1 1038 . 12 1 1 A 84 84 THR HA H 84 4.276 4.021 0.255 1
1 1043 . 12 1 1 A 84 84 THR C C 84 174.773 176.940 -2.167 1
1 1044 . 12 1 1 A 84 84 THR CA C 84 62.558 65.502 -2.944 1
1 1045 . 12 1 1 A 84 84 THR CB C 84 69.726 68.618 1.108 1
1 1047 . 12 1 1 A 84 84 THR N N 84 117.587 116.108 1.479 1
1 1048 . 12 1 1 A 85 85 MET H H 85 8.353 8.469 -0.116 1
1 1049 . 12 1 1 A 85 85 MET HA H 85 4.448 4.060 0.388 1
1 1054 . 12 1 1 A 85 85 MET C C 85 176.518 178.524 -2.006 1
1 1055 . 12 1 1 A 85 85 MET CA C 85 56.074 58.148 -2.074 1
1 1056 . 12 1 1 A 85 85 MET CB C 85 32.837 31.317 1.520 1
1 1058 . 12 1 1 A 85 85 MET N N 85 122.707 119.583 3.124 1
1 1059 . 12 1 1 A 86 86 ILE H H 86 8.113 7.492 0.621 1
1 1060 . 12 1 1 A 86 86 ILE HA H 86 4.061 3.753 0.308 1
1 1070 . 12 1 1 A 86 86 ILE C C 86 176.712 177.843 -1.131 1
1 1071 . 12 1 1 A 86 86 ILE CA C 86 62.006 64.952 -2.946 1
1 1072 . 12 1 1 A 86 86 ILE CB C 86 38.402 37.631 0.771 1
1 1076 . 12 1 1 A 86 86 ILE N N 86 121.834 120.454 1.380 1
1 1077 . 12 1 1 A 87 87 GLN H H 87 8.328 8.067 0.261 1
1 1078 . 12 1 1 A 87 87 GLN HA H 87 4.190 3.979 0.211 1
1 1085 . 12 1 1 A 87 87 GLN C C 87 176.617 178.151 -1.534 1
1 1086 . 12 1 1 A 87 87 GLN CA C 87 56.798 59.456 -2.658 1
1 1087 . 12 1 1 A 87 87 GLN CB C 87 29.044 28.476 0.568 1
1 1089 . 12 1 1 A 87 87 GLN N N 87 123.529 120.285 3.244 1
1 1091 . 12 1 1 A 88 88 LYS H H 88 8.232 7.828 0.404 1
1 1092 . 12 1 1 A 88 88 LYS HA H 88 4.133 4.015 0.118 1
1 1101 . 12 1 1 A 88 88 LYS C C 88 176.983 178.318 -1.335 1
1 1102 . 12 1 1 A 88 88 LYS CA C 88 57.289 58.584 -1.295 1
1 1103 . 12 1 1 A 88 88 LYS CB C 88 32.806 31.812 0.994 1
1 1107 . 12 1 1 A 88 88 LYS N N 88 121.677 118.453 3.224 1
1 1108 . 12 1 1 A 89 89 TYR H H 89 8.086 7.228 0.858 1
1 1109 . 12 1 1 A 89 89 TYR HA H 89 4.492 4.406 0.086 1
1 1116 . 12 1 1 A 89 89 TYR C C 89 176.250 178.167 -1.917 1
1 1117 . 12 1 1 A 89 89 TYR CA C 89 58.546 61.715 -3.169 1
1 1118 . 12 1 1 A 89 89 TYR CB C 89 38.410 38.095 0.315 1
1 1123 . 12 1 1 A 89 89 TYR N N 89 119.993 118.802 1.191 1
1 1124 . 12 1 1 A 90 90 ARG H H 90 8.127 8.059 0.068 1
1 1125 . 12 1 1 A 90 90 ARG HA H 90 4.119 4.270 -0.151 1
1 1132 . 12 1 1 A 90 90 ARG C C 90 176.628 177.738 -1.110 1
1 1133 . 12 1 1 A 90 90 ARG CA C 90 57.085 57.907 -0.822 1
1 1134 . 12 1 1 A 90 90 ARG CB C 90 30.568 30.477 0.091 1
1 1137 . 12 1 1 A 90 90 ARG N N 90 121.679 120.647 1.032 1
1 1138 . 12 1 1 A 91 91 GLN H H 91 8.232 7.903 0.329 1
1 1139 . 12 1 1 A 91 91 GLN HA H 91 4.179 4.306 -0.127 1
1 1146 . 12 1 1 A 91 91 GLN C C 91 176.491 177.100 -0.609 1
1 1147 . 12 1 1 A 91 91 GLN CA C 91 56.800 55.344 1.456 1
1 1148 . 12 1 1 A 91 91 GLN CB C 91 29.129 27.995 1.134 1
1 1150 . 12 1 1 A 91 91 GLN N N 91 120.420 116.103 4.317 1
1 1152 . 12 1 1 A 92 92 LEU H H 92 8.118 7.689 0.429 1
1 1153 . 12 1 1 A 92 92 LEU HA H 92 4.269 4.000 0.269 1
1 1162 . 12 1 1 A 92 92 LEU C C 92 177.632 178.149 -0.517 1
1 1163 . 12 1 1 A 92 92 LEU CA C 92 55.419 58.003 -2.584 1
1 1164 . 12 1 1 A 92 92 LEU CB C 92 42.238 41.831 0.407 1
1 1167 . 12 1 1 A 92 92 LEU N N 92 122.670 122.371 0.299 1
1 1168 . 12 1 1 A 93 93 HIS H H 93 8.049 8.013 0.036 1
1 1169 . 12 1 1 A 93 93 HIS HA H 93 4.228 4.566 -0.338 1
1 1172 . 12 1 1 A 93 93 HIS C C 93 177.608 176.123 1.485 1
1 1173 . 12 1 1 A 93 93 HIS CA C 93 55.512 58.181 -2.669 1
1 1174 . 12 1 1 A 93 93 HIS CB C 93 42.238 31.576 10.662 1
1 1175 . 12 1 1 A 93 93 HIS N N 93 121.742 119.151 2.591 1
1 1176 . 12 1 1 A 94 94 HIS H H 94 8.153 7.747 0.406 1
1 1177 . 12 1 1 A 94 94 HIS HA H 94 4.141 4.615 -0.474 1
1 1180 . 12 1 1 A 94 94 HIS CA C 94 56.804 56.676 0.128 1
1 1181 . 12 1 1 A 94 94 HIS CB C 94 30.254 30.586 -0.332 1
1 1182 . 12 1 1 A 94 94 HIS N N 94 120.504 116.016 4.488 1
1 1 . 13 1 1 A 2 2 TYR HA H 2 4.593 4.203 0.390 1
1 8 . 13 1 1 A 2 2 TYR C C 2 174.805 178.409 -3.604 1
1 9 . 13 1 1 A 2 2 TYR CA C 2 57.884 60.824 -2.940 1
1 10 . 13 1 1 A 2 2 TYR CB C 2 38.790 38.686 0.104 1
1 15 . 13 1 1 A 3 3 LEU H H 3 8.189 8.224 -0.035 1
1 16 . 13 1 1 A 3 3 LEU HA H 3 4.268 4.189 0.079 1
1 25 . 13 1 1 A 3 3 LEU C C 3 176.110 177.368 -1.258 1
1 26 . 13 1 1 A 3 3 LEU CA C 3 54.574 57.349 -2.775 1
1 27 . 13 1 1 A 3 3 LEU CB C 3 42.796 42.422 0.374 1
1 30 . 13 1 1 A 3 3 LEU N N 3 126.201 119.186 7.015 1
1 31 . 13 1 1 A 4 4 LYS H H 4 8.132 7.568 0.564 1
1 32 . 13 1 1 A 4 4 LYS HA H 4 4.336 4.398 -0.062 1
1 35 . 13 1 1 A 4 4 LYS C C 4 175.828 175.423 0.405 1
1 36 . 13 1 1 A 4 4 LYS CA C 4 56.186 55.365 0.821 1
1 37 . 13 1 1 A 4 4 LYS CB C 4 33.084 30.996 2.088 1
1 38 . 13 1 1 A 4 4 LYS N N 4 123.332 116.902 6.430 1
1 39 . 13 1 1 A 5 5 ARG H H 5 8.537 8.217 0.320 1
1 40 . 13 1 1 A 5 5 ARG HA H 5 4.327 4.942 -0.615 1
1 47 . 13 1 1 A 5 5 ARG C C 5 176.158 175.163 0.995 1
1 48 . 13 1 1 A 5 5 ARG CA C 5 56.076 54.143 1.933 1
1 49 . 13 1 1 A 5 5 ARG CB C 5 31.028 33.924 -2.896 1
1 52 . 13 1 1 A 5 5 ARG N N 5 124.828 125.473 -0.645 1
1 53 . 13 1 1 A 6 6 VAL H H 6 8.344 8.558 -0.214 1
1 54 . 13 1 1 A 6 6 VAL HA H 6 4.154 4.085 0.069 1
1 62 . 13 1 1 A 6 6 VAL C C 6 175.662 175.513 0.149 1
1 63 . 13 1 1 A 6 6 VAL CA C 6 61.973 63.161 -1.188 1
1 64 . 13 1 1 A 6 6 VAL CB C 6 32.937 31.833 1.104 1
1 66 . 13 1 1 A 6 6 VAL N N 6 122.153 125.968 -3.815 1
1 67 . 13 1 1 A 7 7 ASP H H 7 8.469 8.780 -0.311 1
1 68 . 13 1 1 A 7 7 ASP HA H 7 4.681 4.759 -0.078 1
1 71 . 13 1 1 A 7 7 ASP C C 7 176.217 175.406 0.811 1
1 72 . 13 1 1 A 7 7 ASP CA C 7 54.202 53.772 0.430 1
1 73 . 13 1 1 A 7 7 ASP CB C 7 41.583 41.210 0.373 1
1 74 . 13 1 1 A 7 7 ASP N N 7 124.555 128.615 -4.060 1
1 75 . 13 1 1 A 8 8 GLY H H 8 8.185 8.579 -0.394 1
1 76 . 13 1 1 A 8 8 GLY HA2 H 8 4.184 4.386 -0.202 1
1 77 . 13 1 1 A 8 8 GLY HA3 H 8 4.070 4.392 -0.322 1
1 78 . 13 1 1 A 8 8 GLY C C 8 171.436 171.571 -0.135 1
1 79 . 13 1 1 A 8 8 GLY CA C 8 44.634 44.358 0.276 1
1 80 . 13 1 1 A 8 8 GLY N N 8 109.085 112.614 -3.529 1
1 81 . 13 1 1 A 9 9 PRO HA H 9 4.510 4.645 -0.135 1
1 88 . 13 1 1 A 9 9 PRO C C 9 176.784 176.572 0.212 1
1 89 . 13 1 1 A 9 9 PRO CA C 9 62.869 62.800 0.069 1
1 90 . 13 1 1 A 9 9 PRO CB C 9 32.364 32.888 -0.524 1
1 93 . 13 1 1 A 10 10 ARG H H 10 8.761 9.088 -0.327 1
1 94 . 13 1 1 A 10 10 ARG HA H 10 4.165 4.230 -0.065 1
1 99 . 13 1 1 A 10 10 ARG C C 10 175.911 176.116 -0.205 1
1 100 . 13 1 1 A 10 10 ARG CA C 10 57.463 57.402 0.061 1
1 101 . 13 1 1 A 10 10 ARG CB C 10 31.030 31.202 -0.172 1
1 103 . 13 1 1 A 10 10 ARG N N 10 120.390 119.952 0.438 1
1 104 . 13 1 1 A 11 11 GLN H H 11 7.790 7.724 0.066 1
1 105 . 13 1 1 A 11 11 GLN HA H 11 5.173 4.981 0.192 1
1 112 . 13 1 1 A 11 11 GLN C C 11 173.893 173.593 0.300 1
1 113 . 13 1 1 A 11 11 GLN CA C 11 54.402 54.817 -0.415 1
1 114 . 13 1 1 A 11 11 GLN CB C 11 31.366 32.001 -0.635 1
1 116 . 13 1 1 A 11 11 GLN N N 11 114.694 115.285 -0.591 1
1 118 . 13 1 1 A 12 12 VAL H H 12 8.803 9.221 -0.418 1
1 119 . 13 1 1 A 12 12 VAL HA H 12 4.625 4.906 -0.281 1
1 127 . 13 1 1 A 12 12 VAL C C 12 173.796 174.463 -0.667 1
1 128 . 13 1 1 A 12 12 VAL CA C 12 60.127 59.601 0.526 1
1 129 . 13 1 1 A 12 12 VAL CB C 12 35.590 35.361 0.229 1
1 132 . 13 1 1 A 12 12 VAL N N 12 115.575 117.944 -2.369 1
1 133 . 13 1 1 A 13 13 THR H H 13 8.553 8.490 0.063 1
1 134 . 13 1 1 A 13 13 THR HA H 13 4.772 4.838 -0.066 1
1 139 . 13 1 1 A 13 13 THR C C 13 174.526 174.139 0.387 1
1 140 . 13 1 1 A 13 13 THR CA C 13 61.880 61.913 -0.033 1
1 141 . 13 1 1 A 13 13 THR CB C 13 69.319 69.844 -0.525 1
1 143 . 13 1 1 A 13 13 THR N N 13 119.282 118.153 1.129 1
1 144 . 13 1 1 A 14 14 LEU H H 14 9.254 9.185 0.069 1
1 145 . 13 1 1 A 14 14 LEU HA H 14 4.210 4.510 -0.300 1
1 155 . 13 1 1 A 14 14 LEU C C 14 177.361 176.602 0.759 1
1 156 . 13 1 1 A 14 14 LEU CA C 14 54.116 52.322 1.794 1
1 157 . 13 1 1 A 14 14 LEU CB C 14 39.546 41.394 -1.848 1
1 161 . 13 1 1 A 14 14 LEU N N 14 129.147 127.203 1.944 1
1 162 . 13 1 1 A 15 15 PRO HA H 15 4.294 4.460 -0.166 1
1 169 . 13 1 1 A 15 15 PRO C C 15 176.570 177.400 -0.830 1
1 170 . 13 1 1 A 15 15 PRO CA C 15 65.392 64.357 1.035 1
1 171 . 13 1 1 A 15 15 PRO CB C 15 31.808 31.764 0.044 1
1 174 . 13 1 1 A 16 16 ASP H H 16 7.397 7.973 -0.576 1
1 175 . 13 1 1 A 16 16 ASP HA H 16 4.486 4.715 -0.229 1
1 178 . 13 1 1 A 16 16 ASP C C 16 177.056 176.471 0.585 1
1 179 . 13 1 1 A 16 16 ASP CA C 16 53.157 53.868 -0.711 1
1 180 . 13 1 1 A 16 16 ASP CB C 16 39.987 41.192 -1.205 1
1 181 . 13 1 1 A 16 16 ASP N N 16 113.036 115.571 -2.535 1
1 182 . 13 1 1 A 17 17 GLY H H 17 8.399 8.923 -0.524 1
1 183 . 13 1 1 A 17 17 GLY HA2 H 17 4.293 3.936 0.357 1
1 184 . 13 1 1 A 17 17 GLY HA3 H 17 3.481 3.944 -0.463 1
1 185 . 13 1 1 A 17 17 GLY C C 17 174.700 173.928 0.772 1
1 186 . 13 1 1 A 17 17 GLY CA C 17 44.998 46.651 -1.653 1
1 187 . 13 1 1 A 17 17 GLY N N 17 108.859 109.224 -0.365 1
1 188 . 13 1 1 A 18 18 THR H H 18 8.003 7.688 0.315 1
1 189 . 13 1 1 A 18 18 THR HA H 18 4.151 4.980 -0.829 1
1 194 . 13 1 1 A 18 18 THR C C 18 172.576 172.602 -0.026 1
1 195 . 13 1 1 A 18 18 THR CA C 18 63.144 60.920 2.224 1
1 196 . 13 1 1 A 18 18 THR CB C 18 69.888 73.245 -3.357 1
1 198 . 13 1 1 A 18 18 THR N N 18 116.015 113.401 2.614 1
1 199 . 13 1 1 A 19 19 VAL H H 19 8.384 8.610 -0.226 1
1 200 . 13 1 1 A 19 19 VAL HA H 19 4.726 4.662 0.064 1
1 208 . 13 1 1 A 19 19 VAL C C 19 175.823 174.131 1.692 1
1 209 . 13 1 1 A 19 19 VAL CA C 19 61.491 61.039 0.452 1
1 210 . 13 1 1 A 19 19 VAL CB C 19 33.757 33.703 0.054 1
1 213 . 13 1 1 A 19 19 VAL N N 19 121.723 123.033 -1.310 1
1 214 . 13 1 1 A 20 20 LEU H H 20 8.948 9.373 -0.425 1
1 215 . 13 1 1 A 20 20 LEU HA H 20 4.784 5.057 -0.273 1
1 225 . 13 1 1 A 20 20 LEU C C 20 174.749 176.188 -1.439 1
1 226 . 13 1 1 A 20 20 LEU CA C 20 53.616 53.522 0.094 1
1 227 . 13 1 1 A 20 20 LEU CB C 20 45.062 44.087 0.975 1
1 231 . 13 1 1 A 20 20 LEU N N 20 129.673 130.591 -0.918 1
1 232 . 13 1 1 A 21 21 SER H H 21 9.246 9.299 -0.053 1
1 233 . 13 1 1 A 21 21 SER HA H 21 5.207 5.076 0.131 1
1 236 . 13 1 1 A 21 21 SER C C 21 176.047 175.952 0.095 1
1 237 . 13 1 1 A 21 21 SER CA C 21 56.523 56.865 -0.342 1
1 238 . 13 1 1 A 21 21 SER CB C 21 66.369 66.061 0.308 1
1 239 . 13 1 1 A 21 21 SER N N 21 120.387 119.516 0.871 1
1 240 . 13 1 1 A 22 22 ARG H H 22 8.847 8.837 0.010 1
1 241 . 13 1 1 A 22 22 ARG HA H 22 3.868 4.235 -0.367 1
1 248 . 13 1 1 A 22 22 ARG C C 22 178.388 176.908 1.480 1
1 249 . 13 1 1 A 22 22 ARG CA C 22 60.207 58.650 1.557 1
1 250 . 13 1 1 A 22 22 ARG CB C 22 29.118 29.859 -0.741 1
1 253 . 13 1 1 A 22 22 ARG N N 22 122.878 120.949 1.929 1
1 254 . 13 1 1 A 23 23 ALA H H 23 8.243 7.803 0.440 1
1 255 . 13 1 1 A 23 23 ALA HA H 23 4.175 4.243 -0.068 1
1 259 . 13 1 1 A 23 23 ALA C C 23 177.763 177.868 -0.105 1
1 260 . 13 1 1 A 23 23 ALA CA C 23 54.000 52.550 1.450 1
1 261 . 13 1 1 A 23 23 ALA CB C 23 18.461 19.469 -1.008 1
1 262 . 13 1 1 A 23 23 ALA N N 23 121.050 121.689 -0.639 1
1 263 . 13 1 1 A 24 24 ASP H H 24 7.597 7.945 -0.348 1
1 264 . 13 1 1 A 24 24 ASP HA H 24 4.632 4.743 -0.111 1
1 267 . 13 1 1 A 24 24 ASP C C 24 176.608 176.539 0.069 1
1 268 . 13 1 1 A 24 24 ASP CA C 24 54.726 54.871 -0.145 1
1 269 . 13 1 1 A 24 24 ASP CB C 24 42.026 41.555 0.471 1
1 270 . 13 1 1 A 24 24 ASP N N 24 115.095 117.302 -2.207 1
1 271 . 13 1 1 A 25 25 LEU H H 25 7.311 7.454 -0.143 1
1 272 . 13 1 1 A 25 25 LEU HA H 25 4.402 4.501 -0.099 1
1 282 . 13 1 1 A 25 25 LEU C C 25 174.724 174.792 -0.068 1
1 283 . 13 1 1 A 25 25 LEU CA C 25 53.307 53.700 -0.393 1
1 284 . 13 1 1 A 25 25 LEU CB C 25 40.047 41.467 -1.420 1
1 288 . 13 1 1 A 25 25 LEU N N 25 119.781 122.719 -2.938 1
1 289 . 13 1 1 A 26 26 PRO HA H 26 4.745 4.673 0.072 1
1 296 . 13 1 1 A 26 26 PRO CA C 26 61.496 61.653 -0.157 1
1 297 . 13 1 1 A 26 26 PRO CB C 26 30.700 31.609 -0.909 1
1 300 . 13 1 1 A 27 27 PRO HA H 27 4.598 4.625 -0.027 1
1 307 . 13 1 1 A 27 27 PRO C C 27 178.036 176.808 1.228 1
1 308 . 13 1 1 A 27 27 PRO CA C 27 62.923 62.477 0.446 1
1 309 . 13 1 1 A 27 27 PRO CB C 27 32.758 33.017 -0.259 1
1 312 . 13 1 1 A 28 28 LEU H H 28 8.880 8.433 0.447 1
1 313 . 13 1 1 A 28 28 LEU HA H 28 4.177 4.325 -0.148 1
1 323 . 13 1 1 A 28 28 LEU C C 28 176.873 177.596 -0.723 1
1 324 . 13 1 1 A 28 28 LEU CA C 28 57.833 56.927 0.906 1
1 325 . 13 1 1 A 28 28 LEU CB C 28 41.291 41.676 -0.385 1
1 329 . 13 1 1 A 28 28 LEU N N 28 122.643 120.534 2.109 1
1 330 . 13 1 1 A 29 29 ASP H H 29 8.203 8.261 -0.058 1
1 331 . 13 1 1 A 29 29 ASP HA H 29 4.615 4.594 0.021 1
1 334 . 13 1 1 A 29 29 ASP C C 29 176.158 176.086 0.072 1
1 335 . 13 1 1 A 29 29 ASP CA C 29 53.098 54.521 -1.423 1
1 336 . 13 1 1 A 29 29 ASP CB C 29 39.311 39.711 -0.400 1
1 337 . 13 1 1 A 29 29 ASP N N 29 115.741 116.022 -0.281 1
1 338 . 13 1 1 A 30 30 THR H H 30 7.516 7.157 0.359 1
1 339 . 13 1 1 A 30 30 THR HA H 30 3.599 4.071 -0.472 1
1 344 . 13 1 1 A 30 30 THR C C 30 174.366 173.970 0.396 1
1 345 . 13 1 1 A 30 30 THR CA C 30 65.815 63.354 2.461 1
1 346 . 13 1 1 A 30 30 THR CB C 30 69.989 68.325 1.664 1
1 348 . 13 1 1 A 30 30 THR N N 30 116.808 116.384 0.424 1
1 349 . 13 1 1 A 31 31 ARG H H 31 8.482 8.788 -0.306 1
1 350 . 13 1 1 A 31 31 ARG HA H 31 4.583 4.517 0.066 1
1 358 . 13 1 1 A 31 31 ARG CA C 31 55.399 56.908 -1.509 1
1 359 . 13 1 1 A 31 31 ARG CB C 31 32.296 33.414 -1.118 1
1 362 . 13 1 1 A 31 31 ARG N N 31 124.991 128.455 -3.464 1
1 364 . 13 1 1 A 32 32 ARG HA H 32 4.523 4.346 0.177 1
1 372 . 13 1 1 A 32 32 ARG C C 32 175.341 174.224 1.117 1
1 373 . 13 1 1 A 32 32 ARG CA C 32 54.759 55.093 -0.334 1
1 374 . 13 1 1 A 32 32 ARG CB C 32 30.348 29.096 1.252 1
1 378 . 13 1 1 A 33 33 TRP H H 33 8.923 8.751 0.172 1
1 379 . 13 1 1 A 33 33 TRP HA H 33 4.292 4.814 -0.522 1
1 388 . 13 1 1 A 33 33 TRP C C 33 176.208 176.465 -0.257 1
1 389 . 13 1 1 A 33 33 TRP CA C 33 56.923 57.402 -0.479 1
1 390 . 13 1 1 A 33 33 TRP CB C 33 28.492 29.259 -0.767 1
1 396 . 13 1 1 A 33 33 TRP N N 33 128.804 127.187 1.617 1
1 398 . 13 1 1 A 34 34 VAL H H 34 6.953 8.483 -1.530 1
1 399 . 13 1 1 A 34 34 VAL HA H 34 4.451 4.550 -0.099 1
1 407 . 13 1 1 A 34 34 VAL C C 34 177.217 176.844 0.373 1
1 408 . 13 1 1 A 34 34 VAL CA C 34 60.180 60.319 -0.139 1
1 409 . 13 1 1 A 34 34 VAL CB C 34 32.686 34.422 -1.736 1
1 412 . 13 1 1 A 34 34 VAL N N 34 114.683 123.184 -8.501 1
1 413 . 13 1 1 A 35 35 ALA HA H 35 3.745 3.854 -0.109 1
1 417 . 13 1 1 A 35 35 ALA C C 35 180.114 179.944 0.170 1
1 418 . 13 1 1 A 35 35 ALA CA C 35 56.618 55.496 1.122 1
1 419 . 13 1 1 A 35 35 ALA CB C 35 18.334 17.941 0.393 1
1 420 . 13 1 1 A 36 36 SER H H 36 8.841 8.229 0.612 1
1 421 . 13 1 1 A 36 36 SER HA H 36 4.140 4.144 -0.004 1
1 424 . 13 1 1 A 36 36 SER C C 36 177.291 177.124 0.167 1
1 425 . 13 1 1 A 36 36 SER CA C 36 61.250 61.519 -0.269 1
1 426 . 13 1 1 A 36 36 SER CB C 36 61.673 62.493 -0.820 1
1 427 . 13 1 1 A 36 36 SER N N 36 111.913 112.888 -0.975 1
1 428 . 13 1 1 A 37 37 ARG H H 37 7.183 7.853 -0.670 1
1 429 . 13 1 1 A 37 37 ARG HA H 37 4.349 4.180 0.169 1
1 436 . 13 1 1 A 37 37 ARG C C 37 177.816 178.747 -0.931 1
1 437 . 13 1 1 A 37 37 ARG CA C 37 58.944 59.097 -0.153 1
1 438 . 13 1 1 A 37 37 ARG CB C 37 31.009 29.879 1.130 1
1 441 . 13 1 1 A 37 37 ARG N N 37 123.504 121.998 1.506 1
1 442 . 13 1 1 A 38 38 LYS H H 38 7.514 8.019 -0.505 1
1 443 . 13 1 1 A 38 38 LYS HA H 38 3.592 3.513 0.079 1
1 452 . 13 1 1 A 38 38 LYS C C 38 178.935 179.029 -0.094 1
1 453 . 13 1 1 A 38 38 LYS CA C 38 59.846 59.005 0.841 1
1 454 . 13 1 1 A 38 38 LYS CB C 38 33.310 31.506 1.804 1
1 458 . 13 1 1 A 38 38 LYS N N 38 118.200 118.970 -0.770 1
1 459 . 13 1 1 A 39 39 ALA H H 39 8.131 8.114 0.017 1
1 460 . 13 1 1 A 39 39 ALA HA H 39 3.865 4.062 -0.197 1
1 464 . 13 1 1 A 39 39 ALA C C 39 178.995 180.005 -1.010 1
1 465 . 13 1 1 A 39 39 ALA CA C 39 55.093 54.909 0.184 1
1 466 . 13 1 1 A 39 39 ALA CB C 39 18.124 17.820 0.304 1
1 467 . 13 1 1 A 39 39 ALA N N 39 117.547 122.229 -4.682 1
1 468 . 13 1 1 A 40 40 ALA H H 40 7.375 7.883 -0.508 1
1 469 . 13 1 1 A 40 40 ALA HA H 40 4.134 4.166 -0.032 1
1 473 . 13 1 1 A 40 40 ALA C C 40 179.512 180.210 -0.698 1
1 474 . 13 1 1 A 40 40 ALA CA C 40 55.506 55.394 0.112 1
1 475 . 13 1 1 A 40 40 ALA CB C 40 18.473 18.029 0.444 1
1 476 . 13 1 1 A 40 40 ALA N N 40 119.346 120.543 -1.197 1
1 477 . 13 1 1 A 41 41 VAL H H 41 7.382 7.832 -0.450 1
1 478 . 13 1 1 A 41 41 VAL HA H 41 3.642 3.725 -0.083 1
1 486 . 13 1 1 A 41 41 VAL C C 41 177.423 178.253 -0.830 1
1 487 . 13 1 1 A 41 41 VAL CA C 41 67.279 67.114 0.165 1
1 488 . 13 1 1 A 41 41 VAL CB C 41 32.149 31.823 0.326 1
1 491 . 13 1 1 A 41 41 VAL N N 41 116.434 118.940 -2.506 1
1 492 . 13 1 1 A 42 42 VAL H H 42 8.332 8.235 0.097 1
1 493 . 13 1 1 A 42 42 VAL HA H 42 3.723 3.927 -0.204 1
1 501 . 13 1 1 A 42 42 VAL C C 42 178.381 178.029 0.352 1
1 502 . 13 1 1 A 42 42 VAL CA C 42 67.698 65.401 2.297 1
1 503 . 13 1 1 A 42 42 VAL CB C 42 32.170 31.171 0.999 1
1 506 . 13 1 1 A 42 42 VAL N N 42 118.061 120.422 -2.361 1
1 507 . 13 1 1 A 43 43 LYS H H 43 8.973 8.316 0.657 1
1 508 . 13 1 1 A 43 43 LYS HA H 43 3.977 4.087 -0.110 1
1 517 . 13 1 1 A 43 43 LYS C C 43 177.830 179.309 -1.479 1
1 518 . 13 1 1 A 43 43 LYS CA C 43 60.343 59.423 0.920 1
1 519 . 13 1 1 A 43 43 LYS CB C 43 32.863 32.174 0.689 1
1 523 . 13 1 1 A 43 43 LYS N N 43 118.026 122.597 -4.571 1
1 524 . 13 1 1 A 44 44 ALA H H 44 7.959 7.902 0.057 1
1 525 . 13 1 1 A 44 44 ALA HA H 44 3.968 4.088 -0.120 1
1 529 . 13 1 1 A 44 44 ALA C C 44 178.921 179.876 -0.955 1
1 530 . 13 1 1 A 44 44 ALA CA C 44 55.324 55.313 0.011 1
1 531 . 13 1 1 A 44 44 ALA CB C 44 19.816 18.314 1.502 1
1 532 . 13 1 1 A 44 44 ALA N N 44 119.893 122.682 -2.789 1
1 533 . 13 1 1 A 45 45 VAL H H 45 7.789 7.720 0.069 1
1 534 . 13 1 1 A 45 45 VAL HA H 45 4.494 3.779 0.715 1
1 542 . 13 1 1 A 45 45 VAL C C 45 180.590 178.231 2.359 1
1 543 . 13 1 1 A 45 45 VAL CA C 45 64.383 66.959 -2.576 1
1 544 . 13 1 1 A 45 45 VAL CB C 45 32.456 31.589 0.867 1
1 547 . 13 1 1 A 45 45 VAL N N 45 118.569 118.073 0.496 1
1 548 . 13 1 1 A 46 46 ILE H H 46 8.945 8.294 0.651 1
1 549 . 13 1 1 A 46 46 ILE HA H 46 3.689 3.717 -0.028 1
1 559 . 13 1 1 A 46 46 ILE C C 46 178.437 177.555 0.882 1
1 560 . 13 1 1 A 46 46 ILE CA C 46 65.391 64.784 0.607 1
1 561 . 13 1 1 A 46 46 ILE CB C 46 38.182 37.335 0.847 1
1 565 . 13 1 1 A 46 46 ILE N N 46 121.331 119.327 2.004 1
1 566 . 13 1 1 A 47 47 HIS H H 47 8.030 7.552 0.478 1
1 567 . 13 1 1 A 47 47 HIS HA H 47 4.663 4.641 0.022 1
1 572 . 13 1 1 A 47 47 HIS C C 47 175.308 175.549 -0.241 1
1 573 . 13 1 1 A 47 47 HIS CA C 47 56.736 55.952 0.784 1
1 574 . 13 1 1 A 47 47 HIS CB C 47 29.482 30.073 -0.591 1
1 577 . 13 1 1 A 47 47 HIS N N 47 113.700 117.264 -3.564 1
1 578 . 13 1 1 A 48 48 GLY H H 48 7.543 7.714 -0.171 1
1 579 . 13 1 1 A 48 48 GLY HA2 H 48 4.026 3.920 0.106 1
1 580 . 13 1 1 A 48 48 GLY HA3 H 48 3.904 3.931 -0.027 1
1 581 . 13 1 1 A 48 48 GLY C C 48 175.172 175.108 0.064 1
1 582 . 13 1 1 A 48 48 GLY CA C 48 46.740 45.599 1.141 1
1 583 . 13 1 1 A 48 48 GLY N N 48 106.113 107.397 -1.284 1
1 584 . 13 1 1 A 49 49 LEU H H 49 8.803 7.814 0.989 1
1 585 . 13 1 1 A 49 49 LEU HA H 49 4.090 4.031 0.059 1
1 595 . 13 1 1 A 49 49 LEU C C 49 176.111 176.253 -0.142 1
1 596 . 13 1 1 A 49 49 LEU CA C 49 57.575 57.392 0.183 1
1 597 . 13 1 1 A 49 49 LEU CB C 49 42.969 42.844 0.125 1
1 601 . 13 1 1 A 49 49 LEU N N 49 122.636 121.893 0.743 1
1 602 . 13 1 1 A 50 50 ILE H H 50 7.257 7.345 -0.088 1
1 603 . 13 1 1 A 50 50 ILE HA H 50 4.689 4.740 -0.051 1
1 613 . 13 1 1 A 50 50 ILE C C 50 174.994 174.264 0.730 1
1 614 . 13 1 1 A 50 50 ILE CA C 50 58.262 58.785 -0.523 1
1 615 . 13 1 1 A 50 50 ILE CB C 50 41.641 41.490 0.151 1
1 619 . 13 1 1 A 50 50 ILE N N 50 107.650 114.258 -6.608 1
1 620 . 13 1 1 A 51 51 THR H H 51 8.677 8.434 0.243 1
1 621 . 13 1 1 A 51 51 THR HA H 51 4.466 4.829 -0.363 1
1 627 . 13 1 1 A 51 51 THR C C 51 175.227 174.621 0.606 1
1 628 . 13 1 1 A 51 51 THR CA C 51 60.728 59.661 1.067 1
1 629 . 13 1 1 A 51 51 THR CB C 51 71.216 70.823 0.393 1
1 631 . 13 1 1 A 51 51 THR N N 51 111.798 116.079 -4.281 1
1 632 . 13 1 1 A 52 52 GLU H H 52 9.034 9.107 -0.073 1
1 633 . 13 1 1 A 52 52 GLU HA H 52 3.507 3.538 -0.031 1
1 638 . 13 1 1 A 52 52 GLU C C 52 177.287 177.537 -0.250 1
1 639 . 13 1 1 A 52 52 GLU CA C 52 60.515 59.661 0.854 1
1 640 . 13 1 1 A 52 52 GLU CB C 52 29.418 29.132 0.286 1
1 642 . 13 1 1 A 52 52 GLU N N 52 122.067 126.106 -4.039 1
1 643 . 13 1 1 A 53 53 ARG H H 53 8.213 7.601 0.612 1
1 644 . 13 1 1 A 53 53 ARG HA H 53 3.740 3.951 -0.211 1
1 652 . 13 1 1 A 53 53 ARG C C 53 177.698 178.201 -0.503 1
1 653 . 13 1 1 A 53 53 ARG CA C 53 58.635 58.990 -0.355 1
1 654 . 13 1 1 A 53 53 ARG CB C 53 30.257 29.843 0.414 1
1 658 . 13 1 1 A 53 53 ARG N N 53 116.853 119.993 -3.140 1
1 660 . 13 1 1 A 54 54 GLU H H 54 7.747 7.965 -0.218 1
1 661 . 13 1 1 A 54 54 GLU HA H 54 3.978 4.017 -0.039 1
1 666 . 13 1 1 A 54 54 GLU C C 54 178.915 178.248 0.667 1
1 667 . 13 1 1 A 54 54 GLU CA C 54 59.312 59.465 -0.153 1
1 668 . 13 1 1 A 54 54 GLU CB C 54 29.678 29.277 0.401 1
1 670 . 13 1 1 A 54 54 GLU N N 54 118.040 119.282 -1.242 1
1 671 . 13 1 1 A 55 55 ALA H H 55 7.932 7.665 0.267 1
1 672 . 13 1 1 A 55 55 ALA HA H 55 3.694 4.103 -0.409 1
1 676 . 13 1 1 A 55 55 ALA C C 55 178.383 180.006 -1.623 1
1 677 . 13 1 1 A 55 55 ALA CA C 55 55.871 55.206 0.665 1
1 678 . 13 1 1 A 55 55 ALA CB C 55 17.664 18.442 -0.778 1
1 679 . 13 1 1 A 55 55 ALA N N 55 122.121 121.712 0.409 1
1 680 . 13 1 1 A 56 56 LEU H H 56 8.110 8.046 0.064 1
1 681 . 13 1 1 A 56 56 LEU HA H 56 3.605 3.801 -0.196 1
1 691 . 13 1 1 A 56 56 LEU C C 56 180.273 179.131 1.142 1
1 692 . 13 1 1 A 56 56 LEU CA C 56 58.167 57.812 0.355 1
1 693 . 13 1 1 A 56 56 LEU CB C 56 39.563 41.078 -1.515 1
1 697 . 13 1 1 A 56 56 LEU N N 56 114.908 118.557 -3.649 1
1 698 . 13 1 1 A 57 57 ASP H H 57 8.080 7.886 0.194 1
1 699 . 13 1 1 A 57 57 ASP HA H 57 4.353 4.268 0.085 1
1 702 . 13 1 1 A 57 57 ASP C C 57 179.121 178.200 0.921 1
1 703 . 13 1 1 A 57 57 ASP CA C 57 56.644 57.442 -0.798 1
1 704 . 13 1 1 A 57 57 ASP CB C 57 40.909 41.186 -0.277 1
1 705 . 13 1 1 A 57 57 ASP N N 57 117.019 119.465 -2.446 1
1 706 . 13 1 1 A 58 58 ARG H H 58 8.584 8.086 0.498 1
1 707 . 13 1 1 A 58 58 ARG HA H 58 3.728 3.965 -0.237 1
1 715 . 13 1 1 A 58 58 ARG C C 58 177.362 177.017 0.345 1
1 716 . 13 1 1 A 58 58 ARG CA C 58 59.141 58.717 0.424 1
1 717 . 13 1 1 A 58 58 ARG CB C 58 30.462 29.725 0.737 1
1 720 . 13 1 1 A 58 58 ARG N N 58 119.926 117.911 2.015 1
1 722 . 13 1 1 A 59 59 TYR H H 59 7.133 7.507 -0.374 1
1 723 . 13 1 1 A 59 59 TYR HA H 59 5.018 4.769 0.249 1
1 730 . 13 1 1 A 59 59 TYR C C 59 173.865 175.112 -1.247 1
1 731 . 13 1 1 A 59 59 TYR CA C 59 57.348 57.709 -0.361 1
1 732 . 13 1 1 A 59 59 TYR CB C 59 38.052 39.040 -0.988 1
1 737 . 13 1 1 A 59 59 TYR N N 59 111.796 118.597 -6.801 1
1 738 . 13 1 1 A 60 60 SER H H 60 7.542 8.138 -0.596 1
1 739 . 13 1 1 A 60 60 SER HA H 60 4.082 4.125 -0.043 1
1 742 . 13 1 1 A 60 60 SER C C 60 176.402 173.091 3.311 1
1 743 . 13 1 1 A 60 60 SER CA C 60 58.482 59.147 -0.665 1
1 744 . 13 1 1 A 60 60 SER CB C 60 61.229 61.722 -0.493 1
1 745 . 13 1 1 A 60 60 SER N N 60 114.624 115.305 -0.681 1
1 746 . 13 1 1 A 61 61 LEU H H 61 8.228 8.130 0.098 1
1 747 . 13 1 1 A 61 61 LEU HA H 61 4.583 4.799 -0.216 1
1 757 . 13 1 1 A 61 61 LEU C C 61 176.463 175.751 0.712 1
1 758 . 13 1 1 A 61 61 LEU CA C 61 52.478 53.450 -0.972 1
1 759 . 13 1 1 A 61 61 LEU CB C 61 45.873 45.605 0.268 1
1 763 . 13 1 1 A 61 61 LEU N N 61 119.424 121.143 -1.719 1
1 764 . 13 1 1 A 62 62 SER H H 62 8.376 8.786 -0.410 1
1 765 . 13 1 1 A 62 62 SER HA H 62 4.555 4.674 -0.119 1
1 768 . 13 1 1 A 62 62 SER C C 62 175.088 175.658 -0.570 1
1 769 . 13 1 1 A 62 62 SER CA C 62 56.123 57.301 -1.178 1
1 770 . 13 1 1 A 62 62 SER CB C 62 65.560 65.345 0.215 1
1 771 . 13 1 1 A 62 62 SER N N 62 115.890 118.195 -2.305 1
1 772 . 13 1 1 A 63 63 GLU H H 63 9.204 9.150 0.054 1
1 773 . 13 1 1 A 63 63 GLU HA H 63 3.806 3.945 -0.139 1
1 778 . 13 1 1 A 63 63 GLU C C 63 179.412 178.132 1.280 1
1 779 . 13 1 1 A 63 63 GLU CA C 63 60.338 59.674 0.664 1
1 780 . 13 1 1 A 63 63 GLU CB C 63 29.354 29.312 0.042 1
1 782 . 13 1 1 A 63 63 GLU N N 63 122.263 124.072 -1.809 1
1 783 . 13 1 1 A 64 64 GLU H H 64 8.859 8.473 0.386 1
1 784 . 13 1 1 A 64 64 GLU HA H 64 3.969 4.017 -0.048 1
1 789 . 13 1 1 A 64 64 GLU C C 64 178.700 178.867 -0.167 1
1 790 . 13 1 1 A 64 64 GLU CA C 64 59.822 59.506 0.316 1
1 791 . 13 1 1 A 64 64 GLU CB C 64 29.210 29.172 0.038 1
1 793 . 13 1 1 A 64 64 GLU N N 64 119.056 117.527 1.529 1
1 794 . 13 1 1 A 65 65 GLU H H 65 7.864 7.934 -0.070 1
1 795 . 13 1 1 A 65 65 GLU HA H 65 3.960 4.001 -0.041 1
1 800 . 13 1 1 A 65 65 GLU C C 65 177.783 178.592 -0.809 1
1 801 . 13 1 1 A 65 65 GLU CA C 65 58.817 59.354 -0.537 1
1 802 . 13 1 1 A 65 65 GLU CB C 65 29.452 29.365 0.087 1
1 804 . 13 1 1 A 65 65 GLU N N 65 121.783 120.138 1.645 1
1 805 . 13 1 1 A 66 66 PHE H H 66 7.918 8.118 -0.200 1
1 806 . 13 1 1 A 66 66 PHE HA H 66 3.294 3.614 -0.320 1
1 814 . 13 1 1 A 66 66 PHE C C 66 177.021 177.819 -0.798 1
1 815 . 13 1 1 A 66 66 PHE CA C 66 61.197 61.319 -0.122 1
1 816 . 13 1 1 A 66 66 PHE CB C 66 39.279 38.914 0.365 1
1 820 . 13 1 1 A 66 66 PHE N N 66 117.902 120.369 -2.467 1
1 821 . 13 1 1 A 67 67 ALA H H 67 8.011 8.653 -0.642 1
1 822 . 13 1 1 A 67 67 ALA HA H 67 3.839 3.972 -0.133 1
1 826 . 13 1 1 A 67 67 ALA C C 67 181.069 180.026 1.043 1
1 827 . 13 1 1 A 67 67 ALA CA C 67 55.296 55.213 0.083 1
1 828 . 13 1 1 A 67 67 ALA CB C 67 17.648 17.880 -0.232 1
1 829 . 13 1 1 A 67 67 ALA N N 67 119.951 121.150 -1.199 1
1 830 . 13 1 1 A 68 68 LEU H H 68 7.431 7.895 -0.464 1
1 831 . 13 1 1 A 68 68 LEU HA H 68 4.162 3.973 0.189 1
1 841 . 13 1 1 A 68 68 LEU C C 68 180.631 179.325 1.306 1
1 842 . 13 1 1 A 68 68 LEU CA C 68 57.621 57.907 -0.286 1
1 843 . 13 1 1 A 68 68 LEU CB C 68 41.083 42.081 -0.998 1
1 847 . 13 1 1 A 68 68 LEU N N 68 119.888 118.178 1.710 1
1 848 . 13 1 1 A 69 69 TRP H H 69 8.288 8.203 0.085 1
1 849 . 13 1 1 A 69 69 TRP HA H 69 4.341 4.252 0.089 1
1 858 . 13 1 1 A 69 69 TRP C C 69 179.178 179.172 0.006 1
1 859 . 13 1 1 A 69 69 TRP CA C 69 59.228 60.327 -1.099 1
1 860 . 13 1 1 A 69 69 TRP CB C 69 28.387 28.825 -0.438 1
1 866 . 13 1 1 A 69 69 TRP N N 69 122.616 118.964 3.652 1
1 868 . 13 1 1 A 70 70 ARG H H 70 8.291 8.195 0.096 1
1 869 . 13 1 1 A 70 70 ARG HA H 70 3.743 3.930 -0.187 1
1 877 . 13 1 1 A 70 70 ARG C C 70 178.811 178.288 0.523 1
1 878 . 13 1 1 A 70 70 ARG CA C 70 59.614 58.660 0.954 1
1 879 . 13 1 1 A 70 70 ARG CB C 70 30.171 29.672 0.499 1
1 882 . 13 1 1 A 70 70 ARG N N 70 117.864 117.973 -0.109 1
1 884 . 13 1 1 A 71 71 SER H H 71 8.000 7.875 0.125 1
1 885 . 13 1 1 A 71 71 SER HA H 71 4.212 4.153 0.059 1
1 888 . 13 1 1 A 71 71 SER C C 71 176.074 177.288 -1.214 1
1 889 . 13 1 1 A 71 71 SER CA C 71 61.074 61.480 -0.406 1
1 890 . 13 1 1 A 71 71 SER CB C 71 62.891 62.800 0.091 1
1 891 . 13 1 1 A 71 71 SER N N 71 114.582 115.092 -0.510 1
1 892 . 13 1 1 A 72 72 ALA H H 72 7.816 7.912 -0.096 1
1 893 . 13 1 1 A 72 72 ALA HA H 72 4.230 4.147 0.083 1
1 897 . 13 1 1 A 72 72 ALA C C 72 179.631 179.702 -0.071 1
1 898 . 13 1 1 A 72 72 ALA CA C 72 54.245 55.013 -0.768 1
1 899 . 13 1 1 A 72 72 ALA CB C 72 18.687 18.193 0.494 1
1 900 . 13 1 1 A 72 72 ALA N N 72 124.141 123.770 0.371 1
1 901 . 13 1 1 A 73 73 VAL H H 73 7.728 8.172 -0.444 1
1 902 . 13 1 1 A 73 73 VAL HA H 73 3.850 3.448 0.402 1
1 910 . 13 1 1 A 73 73 VAL C C 73 177.286 178.208 -0.922 1
1 911 . 13 1 1 A 73 73 VAL CA C 73 64.163 66.515 -2.352 1
1 912 . 13 1 1 A 73 73 VAL CB C 73 32.466 31.484 0.982 1
1 915 . 13 1 1 A 73 73 VAL N N 73 117.289 117.979 -0.690 1
1 916 . 13 1 1 A 74 74 ALA H H 74 7.960 8.435 -0.475 1
1 917 . 13 1 1 A 74 74 ALA HA H 74 4.195 3.933 0.262 1
1 921 . 13 1 1 A 74 74 ALA C C 74 178.318 180.151 -1.833 1
1 922 . 13 1 1 A 74 74 ALA CA C 74 53.559 55.456 -1.897 1
1 923 . 13 1 1 A 74 74 ALA CB C 74 18.612 18.068 0.544 1
1 924 . 13 1 1 A 74 74 ALA N N 74 123.977 122.247 1.730 1
1 925 . 13 1 1 A 75 75 ALA H H 75 7.889 7.806 0.083 1
1 926 . 13 1 1 A 75 75 ALA HA H 75 4.214 4.284 -0.070 1
1 930 . 13 1 1 A 75 75 ALA C C 75 178.233 177.630 0.603 1
1 931 . 13 1 1 A 75 75 ALA CA C 75 53.242 52.905 0.337 1
1 932 . 13 1 1 A 75 75 ALA CB C 75 18.812 19.393 -0.581 1
1 933 . 13 1 1 A 75 75 ALA N N 75 120.956 119.186 1.770 1
1 934 . 13 1 1 A 76 76 HIS H H 76 8.057 7.751 0.306 1
1 935 . 13 1 1 A 76 76 HIS HA H 76 4.585 4.312 0.273 1
1 939 . 13 1 1 A 76 76 HIS C C 76 176.217 176.124 0.093 1
1 940 . 13 1 1 A 76 76 HIS CA C 76 56.644 57.120 -0.476 1
1 941 . 13 1 1 A 76 76 HIS CB C 76 30.282 29.513 0.769 1
1 943 . 13 1 1 A 76 76 HIS N N 76 117.302 119.309 -2.007 1
1 944 . 13 1 1 A 77 77 GLY H H 77 8.229 8.996 -0.767 1
1 945 . 13 1 1 A 77 77 GLY HA2 H 77 3.951 3.806 0.145 1
1 946 . 13 1 1 A 77 77 GLY HA3 H 77 3.951 3.816 0.135 1
1 947 . 13 1 1 A 77 77 GLY C C 77 174.415 175.465 -1.050 1
1 948 . 13 1 1 A 77 77 GLY CA C 77 45.560 46.470 -0.910 1
1 949 . 13 1 1 A 77 77 GLY N N 77 109.118 115.094 -5.976 1
1 950 . 13 1 1 A 78 78 GLU H H 78 8.335 7.827 0.508 1
1 951 . 13 1 1 A 78 78 GLU HA H 78 4.210 4.868 -0.658 1
1 956 . 13 1 1 A 78 78 GLU C C 78 177.052 177.478 -0.426 1
1 957 . 13 1 1 A 78 78 GLU CA C 78 56.836 58.492 -1.656 1
1 958 . 13 1 1 A 78 78 GLU CB C 78 30.136 29.160 0.976 1
1 960 . 13 1 1 A 78 78 GLU N N 78 120.947 119.953 0.994 1
1 961 . 13 1 1 A 79 79 LYS H H 79 8.299 7.702 0.597 1
1 962 . 13 1 1 A 79 79 LYS HA H 79 4.205 4.229 -0.024 1
1 971 . 13 1 1 A 79 79 LYS C C 79 176.656 177.368 -0.712 1
1 972 . 13 1 1 A 79 79 LYS CA C 79 57.057 57.154 -0.097 1
1 973 . 13 1 1 A 79 79 LYS CB C 79 32.811 32.793 0.018 1
1 977 . 13 1 1 A 79 79 LYS N N 79 121.638 117.920 3.718 1
1 978 . 13 1 1 A 80 80 ALA H H 80 8.142 7.692 0.450 1
1 979 . 13 1 1 A 80 80 ALA HA H 80 4.245 4.382 -0.137 1
1 983 . 13 1 1 A 80 80 ALA C C 80 177.868 176.066 1.802 1
1 984 . 13 1 1 A 80 80 ALA CA C 80 52.706 51.159 1.547 1
1 985 . 13 1 1 A 80 80 ALA CB C 80 19.117 18.024 1.093 1
1 986 . 13 1 1 A 80 80 ALA N N 80 123.770 122.739 1.031 1
1 987 . 13 1 1 A 81 81 LEU H H 81 8.040 8.100 -0.060 1
1 988 . 13 1 1 A 81 81 LEU HA H 81 4.245 4.757 -0.512 1
1 998 . 13 1 1 A 81 81 LEU C C 81 177.434 175.828 1.606 1
1 999 . 13 1 1 A 81 81 LEU CA C 81 55.673 54.439 1.234 1
1 1000 . 13 1 1 A 81 81 LEU CB C 81 42.160 40.546 1.614 1
1 1004 . 13 1 1 A 81 81 LEU N N 81 120.893 124.954 -4.061 1
1 1005 . 13 1 1 A 82 82 LYS H H 82 8.178 8.203 -0.025 1
1 1006 . 13 1 1 A 82 82 LYS HA H 82 4.283 4.397 -0.114 1
1 1015 . 13 1 1 A 82 82 LYS C C 82 176.810 177.920 -1.110 1
1 1016 . 13 1 1 A 82 82 LYS CA C 82 56.715 56.304 0.411 1
1 1017 . 13 1 1 A 82 82 LYS CB C 82 32.846 33.588 -0.742 1
1 1021 . 13 1 1 A 82 82 LYS N N 82 121.957 124.903 -2.946 1
1 1022 . 13 1 1 A 83 83 VAL H H 83 8.123 8.614 -0.491 1
1 1023 . 13 1 1 A 83 83 VAL HA H 83 4.093 3.907 0.186 1
1 1031 . 13 1 1 A 83 83 VAL C C 83 176.604 176.562 0.042 1
1 1032 . 13 1 1 A 83 83 VAL CA C 83 62.964 64.567 -1.603 1
1 1033 . 13 1 1 A 83 83 VAL CB C 83 32.742 31.842 0.900 1
1 1036 . 13 1 1 A 83 83 VAL N N 83 121.150 126.706 -5.556 1
1 1037 . 13 1 1 A 84 84 THR H H 84 8.162 7.826 0.336 1
1 1038 . 13 1 1 A 84 84 THR HA H 84 4.276 4.618 -0.342 1
1 1043 . 13 1 1 A 84 84 THR C C 84 174.773 175.004 -0.231 1
1 1044 . 13 1 1 A 84 84 THR CA C 84 62.558 61.341 1.217 1
1 1045 . 13 1 1 A 84 84 THR CB C 84 69.726 69.064 0.662 1
1 1047 . 13 1 1 A 84 84 THR N N 84 117.587 113.762 3.825 1
1 1048 . 13 1 1 A 85 85 MET H H 85 8.353 8.184 0.169 1
1 1049 . 13 1 1 A 85 85 MET HA H 85 4.448 4.620 -0.172 1
1 1054 . 13 1 1 A 85 85 MET C C 85 176.518 176.531 -0.013 1
1 1055 . 13 1 1 A 85 85 MET CA C 85 56.074 54.736 1.338 1
1 1056 . 13 1 1 A 85 85 MET CB C 85 32.837 33.391 -0.554 1
1 1058 . 13 1 1 A 85 85 MET N N 85 122.707 119.172 3.535 1
1 1059 . 13 1 1 A 86 86 ILE H H 86 8.113 7.823 0.290 1
1 1060 . 13 1 1 A 86 86 ILE HA H 86 4.061 3.954 0.107 1
1 1070 . 13 1 1 A 86 86 ILE C C 86 176.712 177.825 -1.113 1
1 1071 . 13 1 1 A 86 86 ILE CA C 86 62.006 64.918 -2.912 1
1 1072 . 13 1 1 A 86 86 ILE CB C 86 38.402 36.575 1.827 1
1 1076 . 13 1 1 A 86 86 ILE N N 86 121.834 121.000 0.834 1
1 1077 . 13 1 1 A 87 87 GLN H H 87 8.328 8.199 0.129 1
1 1078 . 13 1 1 A 87 87 GLN HA H 87 4.190 3.917 0.273 1
1 1085 . 13 1 1 A 87 87 GLN C C 87 176.617 178.093 -1.476 1
1 1086 . 13 1 1 A 87 87 GLN CA C 87 56.798 59.275 -2.477 1
1 1087 . 13 1 1 A 87 87 GLN CB C 87 29.044 28.335 0.709 1
1 1089 . 13 1 1 A 87 87 GLN N N 87 123.529 121.412 2.117 1
1 1091 . 13 1 1 A 88 88 LYS H H 88 8.232 8.215 0.017 1
1 1092 . 13 1 1 A 88 88 LYS HA H 88 4.133 4.012 0.121 1
1 1101 . 13 1 1 A 88 88 LYS C C 88 176.983 176.773 0.210 1
1 1102 . 13 1 1 A 88 88 LYS CA C 88 57.289 58.088 -0.799 1
1 1103 . 13 1 1 A 88 88 LYS CB C 88 32.806 31.034 1.772 1
1 1107 . 13 1 1 A 88 88 LYS N N 88 121.677 117.759 3.918 1
1 1108 . 13 1 1 A 89 89 TYR H H 89 8.086 7.520 0.566 1
1 1109 . 13 1 1 A 89 89 TYR HA H 89 4.492 4.514 -0.022 1
1 1116 . 13 1 1 A 89 89 TYR C C 89 176.250 176.994 -0.744 1
1 1117 . 13 1 1 A 89 89 TYR CA C 89 58.546 58.338 0.208 1
1 1118 . 13 1 1 A 89 89 TYR CB C 89 38.410 39.339 -0.929 1
1 1123 . 13 1 1 A 89 89 TYR N N 89 119.993 117.710 2.283 1
1 1124 . 13 1 1 A 90 90 ARG H H 90 8.127 7.929 0.198 1
1 1125 . 13 1 1 A 90 90 ARG HA H 90 4.119 4.143 -0.024 1
1 1132 . 13 1 1 A 90 90 ARG C C 90 176.628 179.067 -2.439 1
1 1133 . 13 1 1 A 90 90 ARG CA C 90 57.085 58.585 -1.500 1
1 1134 . 13 1 1 A 90 90 ARG CB C 90 30.568 30.215 0.353 1
1 1137 . 13 1 1 A 90 90 ARG N N 90 121.679 121.082 0.597 1
1 1138 . 13 1 1 A 91 91 GLN H H 91 8.232 7.791 0.441 1
1 1139 . 13 1 1 A 91 91 GLN HA H 91 4.179 4.031 0.148 1
1 1146 . 13 1 1 A 91 91 GLN C C 91 176.491 178.315 -1.824 1
1 1147 . 13 1 1 A 91 91 GLN CA C 91 56.800 57.780 -0.980 1
1 1148 . 13 1 1 A 91 91 GLN CB C 91 29.129 27.431 1.698 1
1 1150 . 13 1 1 A 91 91 GLN N N 91 120.420 117.914 2.506 1
1 1152 . 13 1 1 A 92 92 LEU H H 92 8.118 7.813 0.305 1
1 1153 . 13 1 1 A 92 92 LEU HA H 92 4.269 4.050 0.219 1
1 1162 . 13 1 1 A 92 92 LEU C C 92 177.632 178.540 -0.908 1
1 1163 . 13 1 1 A 92 92 LEU CA C 92 55.419 57.748 -2.329 1
1 1164 . 13 1 1 A 92 92 LEU CB C 92 42.238 41.912 0.326 1
1 1167 . 13 1 1 A 92 92 LEU N N 92 122.670 122.985 -0.315 1
1 1168 . 13 1 1 A 93 93 HIS H H 93 8.049 7.232 0.817 1
1 1169 . 13 1 1 A 93 93 HIS HA H 93 4.228 4.760 -0.532 1
1 1172 . 13 1 1 A 93 93 HIS C C 93 177.608 175.808 1.800 1
1 1173 . 13 1 1 A 93 93 HIS CA C 93 55.512 55.880 -0.368 1
1 1174 . 13 1 1 A 93 93 HIS CB C 93 42.238 30.016 12.222 1
1 1175 . 13 1 1 A 93 93 HIS N N 93 121.742 113.547 8.195 1
1 1176 . 13 1 1 A 94 94 HIS H H 94 8.153 8.113 0.040 1
1 1177 . 13 1 1 A 94 94 HIS HA H 94 4.141 4.343 -0.202 1
1 1180 . 13 1 1 A 94 94 HIS CA C 94 56.804 58.501 -1.697 1
1 1181 . 13 1 1 A 94 94 HIS CB C 94 30.254 28.678 1.576 1
1 1182 . 13 1 1 A 94 94 HIS N N 94 120.504 114.976 5.528 1
1 1 . 14 1 1 A 2 2 TYR HA H 2 4.593 4.660 -0.067 1
1 8 . 14 1 1 A 2 2 TYR C C 2 174.805 176.372 -1.567 1
1 9 . 14 1 1 A 2 2 TYR CA C 2 57.884 60.396 -2.512 1
1 10 . 14 1 1 A 2 2 TYR CB C 2 38.790 39.283 -0.493 1
1 15 . 14 1 1 A 3 3 LEU H H 3 8.189 7.945 0.244 1
1 16 . 14 1 1 A 3 3 LEU HA H 3 4.268 4.005 0.263 1
1 25 . 14 1 1 A 3 3 LEU C C 3 176.110 176.475 -0.365 1
1 26 . 14 1 1 A 3 3 LEU CA C 3 54.574 57.352 -2.778 1
1 27 . 14 1 1 A 3 3 LEU CB C 3 42.796 40.698 2.098 1
1 30 . 14 1 1 A 3 3 LEU N N 3 126.201 118.539 7.662 1
1 31 . 14 1 1 A 4 4 LYS H H 4 8.132 8.409 -0.277 1
1 32 . 14 1 1 A 4 4 LYS HA H 4 4.336 4.506 -0.170 1
1 35 . 14 1 1 A 4 4 LYS C C 4 175.828 175.801 0.027 1
1 36 . 14 1 1 A 4 4 LYS CA C 4 56.186 55.890 0.296 1
1 37 . 14 1 1 A 4 4 LYS CB C 4 33.084 33.571 -0.487 1
1 38 . 14 1 1 A 4 4 LYS N N 4 123.332 121.152 2.180 1
1 39 . 14 1 1 A 5 5 ARG H H 5 8.537 7.661 0.876 1
1 40 . 14 1 1 A 5 5 ARG HA H 5 4.327 4.947 -0.620 1
1 47 . 14 1 1 A 5 5 ARG C C 5 176.158 174.612 1.546 1
1 48 . 14 1 1 A 5 5 ARG CA C 5 56.076 54.739 1.337 1
1 49 . 14 1 1 A 5 5 ARG CB C 5 31.028 33.496 -2.468 1
1 52 . 14 1 1 A 5 5 ARG N N 5 124.828 119.782 5.046 1
1 53 . 14 1 1 A 6 6 VAL H H 6 8.344 9.024 -0.680 1
1 54 . 14 1 1 A 6 6 VAL HA H 6 4.154 4.228 -0.074 1
1 62 . 14 1 1 A 6 6 VAL C C 6 175.662 175.822 -0.160 1
1 63 . 14 1 1 A 6 6 VAL CA C 6 61.973 62.851 -0.878 1
1 64 . 14 1 1 A 6 6 VAL CB C 6 32.937 29.913 3.024 1
1 66 . 14 1 1 A 6 6 VAL N N 6 122.153 127.196 -5.043 1
1 67 . 14 1 1 A 7 7 ASP H H 7 8.469 8.693 -0.224 1
1 68 . 14 1 1 A 7 7 ASP HA H 7 4.681 4.437 0.244 1
1 71 . 14 1 1 A 7 7 ASP C C 7 176.217 176.008 0.209 1
1 72 . 14 1 1 A 7 7 ASP CA C 7 54.202 54.395 -0.193 1
1 73 . 14 1 1 A 7 7 ASP CB C 7 41.583 41.890 -0.307 1
1 74 . 14 1 1 A 7 7 ASP N N 7 124.555 128.938 -4.383 1
1 75 . 14 1 1 A 8 8 GLY H H 8 8.185 7.190 0.995 1
1 76 . 14 1 1 A 8 8 GLY HA2 H 8 4.184 3.999 0.185 1
1 77 . 14 1 1 A 8 8 GLY HA3 H 8 4.070 4.006 0.064 1
1 78 . 14 1 1 A 8 8 GLY C C 8 171.436 172.935 -1.499 1
1 79 . 14 1 1 A 8 8 GLY CA C 8 44.634 44.115 0.519 1
1 80 . 14 1 1 A 8 8 GLY N N 8 109.085 106.450 2.635 1
1 81 . 14 1 1 A 9 9 PRO HA H 9 4.510 4.688 -0.178 1
1 88 . 14 1 1 A 9 9 PRO C C 9 176.784 176.135 0.649 1
1 89 . 14 1 1 A 9 9 PRO CA C 9 62.869 62.475 0.394 1
1 90 . 14 1 1 A 9 9 PRO CB C 9 32.364 32.343 0.021 1
1 93 . 14 1 1 A 10 10 ARG H H 10 8.761 9.170 -0.409 1
1 94 . 14 1 1 A 10 10 ARG HA H 10 4.165 4.199 -0.034 1
1 99 . 14 1 1 A 10 10 ARG C C 10 175.911 176.181 -0.270 1
1 100 . 14 1 1 A 10 10 ARG CA C 10 57.463 57.711 -0.248 1
1 101 . 14 1 1 A 10 10 ARG CB C 10 31.030 31.055 -0.025 1
1 103 . 14 1 1 A 10 10 ARG N N 10 120.390 120.056 0.334 1
1 104 . 14 1 1 A 11 11 GLN H H 11 7.790 7.764 0.026 1
1 105 . 14 1 1 A 11 11 GLN HA H 11 5.173 4.976 0.197 1
1 112 . 14 1 1 A 11 11 GLN C C 11 173.893 173.997 -0.104 1
1 113 . 14 1 1 A 11 11 GLN CA C 11 54.402 54.556 -0.154 1
1 114 . 14 1 1 A 11 11 GLN CB C 11 31.366 31.847 -0.481 1
1 116 . 14 1 1 A 11 11 GLN N N 11 114.694 115.581 -0.887 1
1 118 . 14 1 1 A 12 12 VAL H H 12 8.803 9.252 -0.449 1
1 119 . 14 1 1 A 12 12 VAL HA H 12 4.625 4.882 -0.257 1
1 127 . 14 1 1 A 12 12 VAL C C 12 173.796 174.599 -0.803 1
1 128 . 14 1 1 A 12 12 VAL CA C 12 60.127 59.781 0.346 1
1 129 . 14 1 1 A 12 12 VAL CB C 12 35.590 34.895 0.695 1
1 132 . 14 1 1 A 12 12 VAL N N 12 115.575 117.826 -2.251 1
1 133 . 14 1 1 A 13 13 THR H H 13 8.553 8.695 -0.142 1
1 134 . 14 1 1 A 13 13 THR HA H 13 4.772 4.665 0.107 1
1 139 . 14 1 1 A 13 13 THR C C 13 174.526 174.343 0.183 1
1 140 . 14 1 1 A 13 13 THR CA C 13 61.880 62.518 -0.638 1
1 141 . 14 1 1 A 13 13 THR CB C 13 69.319 69.516 -0.197 1
1 143 . 14 1 1 A 13 13 THR N N 13 119.282 119.209 0.073 1
1 144 . 14 1 1 A 14 14 LEU H H 14 9.254 8.924 0.330 1
1 145 . 14 1 1 A 14 14 LEU HA H 14 4.210 4.542 -0.332 1
1 155 . 14 1 1 A 14 14 LEU C C 14 177.361 176.749 0.612 1
1 156 . 14 1 1 A 14 14 LEU CA C 14 54.116 53.178 0.938 1
1 157 . 14 1 1 A 14 14 LEU CB C 14 39.546 41.318 -1.772 1
1 161 . 14 1 1 A 14 14 LEU N N 14 129.147 127.635 1.512 1
1 162 . 14 1 1 A 15 15 PRO HA H 15 4.294 4.360 -0.066 1
1 169 . 14 1 1 A 15 15 PRO C C 15 176.570 177.567 -0.997 1
1 170 . 14 1 1 A 15 15 PRO CA C 15 65.392 64.836 0.556 1
1 171 . 14 1 1 A 15 15 PRO CB C 15 31.808 31.832 -0.024 1
1 174 . 14 1 1 A 16 16 ASP H H 16 7.397 7.890 -0.493 1
1 175 . 14 1 1 A 16 16 ASP HA H 16 4.486 4.679 -0.193 1
1 178 . 14 1 1 A 16 16 ASP C C 16 177.056 176.240 0.816 1
1 179 . 14 1 1 A 16 16 ASP CA C 16 53.157 54.486 -1.329 1
1 180 . 14 1 1 A 16 16 ASP CB C 16 39.987 41.283 -1.296 1
1 181 . 14 1 1 A 16 16 ASP N N 16 113.036 117.560 -4.524 1
1 182 . 14 1 1 A 17 17 GLY H H 17 8.399 8.142 0.257 1
1 183 . 14 1 1 A 17 17 GLY HA2 H 17 4.293 3.901 0.392 1
1 184 . 14 1 1 A 17 17 GLY HA3 H 17 3.481 3.911 -0.430 1
1 185 . 14 1 1 A 17 17 GLY C C 17 174.700 174.640 0.060 1
1 186 . 14 1 1 A 17 17 GLY CA C 17 44.998 44.751 0.247 1
1 187 . 14 1 1 A 17 17 GLY N N 17 108.859 107.492 1.367 1
1 188 . 14 1 1 A 18 18 THR H H 18 8.003 7.980 0.023 1
1 189 . 14 1 1 A 18 18 THR HA H 18 4.151 4.407 -0.256 1
1 194 . 14 1 1 A 18 18 THR C C 18 172.576 173.581 -1.005 1
1 195 . 14 1 1 A 18 18 THR CA C 18 63.144 61.905 1.239 1
1 196 . 14 1 1 A 18 18 THR CB C 18 69.888 70.354 -0.466 1
1 198 . 14 1 1 A 18 18 THR N N 18 116.015 114.914 1.101 1
1 199 . 14 1 1 A 19 19 VAL H H 19 8.384 8.333 0.051 1
1 200 . 14 1 1 A 19 19 VAL HA H 19 4.726 4.570 0.156 1
1 208 . 14 1 1 A 19 19 VAL C C 19 175.823 174.209 1.614 1
1 209 . 14 1 1 A 19 19 VAL CA C 19 61.491 61.062 0.429 1
1 210 . 14 1 1 A 19 19 VAL CB C 19 33.757 33.514 0.243 1
1 213 . 14 1 1 A 19 19 VAL N N 19 121.723 122.491 -0.768 1
1 214 . 14 1 1 A 20 20 LEU H H 20 8.948 9.277 -0.329 1
1 215 . 14 1 1 A 20 20 LEU HA H 20 4.784 5.074 -0.290 1
1 225 . 14 1 1 A 20 20 LEU C C 20 174.749 176.150 -1.401 1
1 226 . 14 1 1 A 20 20 LEU CA C 20 53.616 53.548 0.068 1
1 227 . 14 1 1 A 20 20 LEU CB C 20 45.062 44.112 0.950 1
1 231 . 14 1 1 A 20 20 LEU N N 20 129.673 130.402 -0.729 1
1 232 . 14 1 1 A 21 21 SER H H 21 9.246 9.396 -0.150 1
1 233 . 14 1 1 A 21 21 SER HA H 21 5.207 4.895 0.312 1
1 236 . 14 1 1 A 21 21 SER C C 21 176.047 175.765 0.282 1
1 237 . 14 1 1 A 21 21 SER CA C 21 56.523 56.697 -0.174 1
1 238 . 14 1 1 A 21 21 SER CB C 21 66.369 66.383 -0.014 1
1 239 . 14 1 1 A 21 21 SER N N 21 120.387 119.574 0.813 1
1 240 . 14 1 1 A 22 22 ARG H H 22 8.847 8.755 0.092 1
1 241 . 14 1 1 A 22 22 ARG HA H 22 3.868 4.227 -0.359 1
1 248 . 14 1 1 A 22 22 ARG C C 22 178.388 177.107 1.281 1
1 249 . 14 1 1 A 22 22 ARG CA C 22 60.207 58.684 1.523 1
1 250 . 14 1 1 A 22 22 ARG CB C 22 29.118 29.949 -0.831 1
1 253 . 14 1 1 A 22 22 ARG N N 22 122.878 120.648 2.230 1
1 254 . 14 1 1 A 23 23 ALA H H 23 8.243 7.809 0.434 1
1 255 . 14 1 1 A 23 23 ALA HA H 23 4.175 4.210 -0.035 1
1 259 . 14 1 1 A 23 23 ALA C C 23 177.763 177.948 -0.185 1
1 260 . 14 1 1 A 23 23 ALA CA C 23 54.000 53.045 0.955 1
1 261 . 14 1 1 A 23 23 ALA CB C 23 18.461 19.201 -0.740 1
1 262 . 14 1 1 A 23 23 ALA N N 23 121.050 121.920 -0.870 1
1 263 . 14 1 1 A 24 24 ASP H H 24 7.597 7.811 -0.214 1
1 264 . 14 1 1 A 24 24 ASP HA H 24 4.632 4.679 -0.047 1
1 267 . 14 1 1 A 24 24 ASP C C 24 176.608 176.880 -0.272 1
1 268 . 14 1 1 A 24 24 ASP CA C 24 54.726 55.077 -0.351 1
1 269 . 14 1 1 A 24 24 ASP CB C 24 42.026 41.623 0.403 1
1 270 . 14 1 1 A 24 24 ASP N N 24 115.095 117.053 -1.958 1
1 271 . 14 1 1 A 25 25 LEU H H 25 7.311 7.377 -0.066 1
1 272 . 14 1 1 A 25 25 LEU HA H 25 4.402 4.475 -0.073 1
1 282 . 14 1 1 A 25 25 LEU C C 25 174.724 174.852 -0.128 1
1 283 . 14 1 1 A 25 25 LEU CA C 25 53.307 53.815 -0.508 1
1 284 . 14 1 1 A 25 25 LEU CB C 25 40.047 41.906 -1.859 1
1 288 . 14 1 1 A 25 25 LEU N N 25 119.781 122.470 -2.689 1
1 289 . 14 1 1 A 26 26 PRO HA H 26 4.745 4.714 0.031 1
1 296 . 14 1 1 A 26 26 PRO CA C 26 61.496 61.656 -0.160 1
1 297 . 14 1 1 A 26 26 PRO CB C 26 30.700 31.493 -0.793 1
1 300 . 14 1 1 A 27 27 PRO HA H 27 4.598 4.635 -0.037 1
1 307 . 14 1 1 A 27 27 PRO C C 27 178.036 176.954 1.082 1
1 308 . 14 1 1 A 27 27 PRO CA C 27 62.923 62.562 0.361 1
1 309 . 14 1 1 A 27 27 PRO CB C 27 32.758 32.407 0.351 1
1 312 . 14 1 1 A 28 28 LEU H H 28 8.880 8.480 0.400 1
1 313 . 14 1 1 A 28 28 LEU HA H 28 4.177 4.298 -0.121 1
1 323 . 14 1 1 A 28 28 LEU C C 28 176.873 178.267 -1.394 1
1 324 . 14 1 1 A 28 28 LEU CA C 28 57.833 57.007 0.826 1
1 325 . 14 1 1 A 28 28 LEU CB C 28 41.291 41.532 -0.241 1
1 329 . 14 1 1 A 28 28 LEU N N 28 122.643 121.916 0.727 1
1 330 . 14 1 1 A 29 29 ASP H H 29 8.203 8.095 0.108 1
1 331 . 14 1 1 A 29 29 ASP HA H 29 4.615 4.578 0.037 1
1 334 . 14 1 1 A 29 29 ASP C C 29 176.158 176.400 -0.242 1
1 335 . 14 1 1 A 29 29 ASP CA C 29 53.098 55.502 -2.404 1
1 336 . 14 1 1 A 29 29 ASP CB C 29 39.311 40.837 -1.526 1
1 337 . 14 1 1 A 29 29 ASP N N 29 115.741 117.699 -1.958 1
1 338 . 14 1 1 A 30 30 THR H H 30 7.516 7.230 0.286 1
1 339 . 14 1 1 A 30 30 THR HA H 30 3.599 4.086 -0.487 1
1 344 . 14 1 1 A 30 30 THR C C 30 174.366 173.959 0.407 1
1 345 . 14 1 1 A 30 30 THR CA C 30 65.815 63.153 2.662 1
1 346 . 14 1 1 A 30 30 THR CB C 30 69.989 68.075 1.914 1
1 348 . 14 1 1 A 30 30 THR N N 30 116.808 115.076 1.732 1
1 349 . 14 1 1 A 31 31 ARG H H 31 8.482 8.886 -0.404 1
1 350 . 14 1 1 A 31 31 ARG HA H 31 4.583 4.361 0.222 1
1 358 . 14 1 1 A 31 31 ARG CA C 31 55.399 57.151 -1.752 1
1 359 . 14 1 1 A 31 31 ARG CB C 31 32.296 31.667 0.629 1
1 362 . 14 1 1 A 31 31 ARG N N 31 124.991 128.330 -3.339 1
1 364 . 14 1 1 A 32 32 ARG HA H 32 4.523 4.319 0.204 1
1 372 . 14 1 1 A 32 32 ARG C C 32 175.341 174.305 1.036 1
1 373 . 14 1 1 A 32 32 ARG CA C 32 54.759 55.393 -0.634 1
1 374 . 14 1 1 A 32 32 ARG CB C 32 30.348 29.512 0.836 1
1 378 . 14 1 1 A 33 33 TRP H H 33 8.923 8.718 0.205 1
1 379 . 14 1 1 A 33 33 TRP HA H 33 4.292 4.825 -0.533 1
1 388 . 14 1 1 A 33 33 TRP C C 33 176.208 176.323 -0.115 1
1 389 . 14 1 1 A 33 33 TRP CA C 33 56.923 57.209 -0.286 1
1 390 . 14 1 1 A 33 33 TRP CB C 33 28.492 28.963 -0.471 1
1 396 . 14 1 1 A 33 33 TRP N N 33 128.804 127.702 1.102 1
1 398 . 14 1 1 A 34 34 VAL H H 34 6.953 8.475 -1.522 1
1 399 . 14 1 1 A 34 34 VAL HA H 34 4.451 4.712 -0.261 1
1 407 . 14 1 1 A 34 34 VAL C C 34 177.217 176.830 0.387 1
1 408 . 14 1 1 A 34 34 VAL CA C 34 60.180 59.853 0.327 1
1 409 . 14 1 1 A 34 34 VAL CB C 34 32.686 34.718 -2.032 1
1 412 . 14 1 1 A 34 34 VAL N N 34 114.683 122.764 -8.081 1
1 413 . 14 1 1 A 35 35 ALA HA H 35 3.745 3.836 -0.091 1
1 417 . 14 1 1 A 35 35 ALA C C 35 180.114 179.644 0.470 1
1 418 . 14 1 1 A 35 35 ALA CA C 35 56.618 55.357 1.261 1
1 419 . 14 1 1 A 35 35 ALA CB C 35 18.334 18.231 0.103 1
1 420 . 14 1 1 A 36 36 SER H H 36 8.841 7.957 0.884 1
1 421 . 14 1 1 A 36 36 SER HA H 36 4.140 4.079 0.061 1
1 424 . 14 1 1 A 36 36 SER C C 36 177.291 176.425 0.866 1
1 425 . 14 1 1 A 36 36 SER CA C 36 61.250 61.554 -0.304 1
1 426 . 14 1 1 A 36 36 SER CB C 36 61.673 62.788 -1.115 1
1 427 . 14 1 1 A 36 36 SER N N 36 111.913 113.303 -1.390 1
1 428 . 14 1 1 A 37 37 ARG H H 37 7.183 7.574 -0.391 1
1 429 . 14 1 1 A 37 37 ARG HA H 37 4.349 4.250 0.099 1
1 436 . 14 1 1 A 37 37 ARG C C 37 177.816 178.805 -0.989 1
1 437 . 14 1 1 A 37 37 ARG CA C 37 58.944 58.855 0.089 1
1 438 . 14 1 1 A 37 37 ARG CB C 37 31.009 29.804 1.205 1
1 441 . 14 1 1 A 37 37 ARG N N 37 123.504 121.383 2.121 1
1 442 . 14 1 1 A 38 38 LYS H H 38 7.514 8.027 -0.513 1
1 443 . 14 1 1 A 38 38 LYS HA H 38 3.592 3.527 0.065 1
1 452 . 14 1 1 A 38 38 LYS C C 38 178.935 178.978 -0.043 1
1 453 . 14 1 1 A 38 38 LYS CA C 38 59.846 59.113 0.733 1
1 454 . 14 1 1 A 38 38 LYS CB C 38 33.310 31.598 1.712 1
1 458 . 14 1 1 A 38 38 LYS N N 38 118.200 119.636 -1.436 1
1 459 . 14 1 1 A 39 39 ALA H H 39 8.131 8.321 -0.190 1
1 460 . 14 1 1 A 39 39 ALA HA H 39 3.865 4.039 -0.174 1
1 464 . 14 1 1 A 39 39 ALA C C 39 178.995 179.694 -0.699 1
1 465 . 14 1 1 A 39 39 ALA CA C 39 55.093 55.021 0.072 1
1 466 . 14 1 1 A 39 39 ALA CB C 39 18.124 17.731 0.393 1
1 467 . 14 1 1 A 39 39 ALA N N 39 117.547 122.174 -4.627 1
1 468 . 14 1 1 A 40 40 ALA H H 40 7.375 7.810 -0.435 1
1 469 . 14 1 1 A 40 40 ALA HA H 40 4.134 4.124 0.010 1
1 473 . 14 1 1 A 40 40 ALA C C 40 179.512 180.231 -0.719 1
1 474 . 14 1 1 A 40 40 ALA CA C 40 55.506 55.396 0.110 1
1 475 . 14 1 1 A 40 40 ALA CB C 40 18.473 18.099 0.374 1
1 476 . 14 1 1 A 40 40 ALA N N 40 119.346 120.242 -0.896 1
1 477 . 14 1 1 A 41 41 VAL H H 41 7.382 7.804 -0.422 1
1 478 . 14 1 1 A 41 41 VAL HA H 41 3.642 3.729 -0.087 1
1 486 . 14 1 1 A 41 41 VAL C C 41 177.423 178.315 -0.892 1
1 487 . 14 1 1 A 41 41 VAL CA C 41 67.279 67.076 0.203 1
1 488 . 14 1 1 A 41 41 VAL CB C 41 32.149 31.768 0.381 1
1 491 . 14 1 1 A 41 41 VAL N N 41 116.434 119.049 -2.615 1
1 492 . 14 1 1 A 42 42 VAL H H 42 8.332 8.246 0.086 1
1 493 . 14 1 1 A 42 42 VAL HA H 42 3.723 4.037 -0.314 1
1 501 . 14 1 1 A 42 42 VAL C C 42 178.381 177.983 0.398 1
1 502 . 14 1 1 A 42 42 VAL CA C 42 67.698 65.395 2.303 1
1 503 . 14 1 1 A 42 42 VAL CB C 42 32.170 31.297 0.873 1
1 506 . 14 1 1 A 42 42 VAL N N 42 118.061 120.443 -2.382 1
1 507 . 14 1 1 A 43 43 LYS H H 43 8.973 8.298 0.675 1
1 508 . 14 1 1 A 43 43 LYS HA H 43 3.977 4.052 -0.075 1
1 517 . 14 1 1 A 43 43 LYS C C 43 177.830 179.205 -1.375 1
1 518 . 14 1 1 A 43 43 LYS CA C 43 60.343 59.414 0.929 1
1 519 . 14 1 1 A 43 43 LYS CB C 43 32.863 32.068 0.795 1
1 523 . 14 1 1 A 43 43 LYS N N 43 118.026 122.479 -4.453 1
1 524 . 14 1 1 A 44 44 ALA H H 44 7.959 7.771 0.188 1
1 525 . 14 1 1 A 44 44 ALA HA H 44 3.968 4.146 -0.178 1
1 529 . 14 1 1 A 44 44 ALA C C 44 178.921 179.610 -0.689 1
1 530 . 14 1 1 A 44 44 ALA CA C 44 55.324 55.222 0.102 1
1 531 . 14 1 1 A 44 44 ALA CB C 44 19.816 18.539 1.277 1
1 532 . 14 1 1 A 44 44 ALA N N 44 119.893 122.755 -2.862 1
1 533 . 14 1 1 A 45 45 VAL H H 45 7.789 7.877 -0.088 1
1 534 . 14 1 1 A 45 45 VAL HA H 45 4.494 3.898 0.596 1
1 542 . 14 1 1 A 45 45 VAL C C 45 180.590 178.641 1.949 1
1 543 . 14 1 1 A 45 45 VAL CA C 45 64.383 66.794 -2.411 1
1 544 . 14 1 1 A 45 45 VAL CB C 45 32.456 31.338 1.118 1
1 547 . 14 1 1 A 45 45 VAL N N 45 118.569 117.847 0.722 1
1 548 . 14 1 1 A 46 46 ILE H H 46 8.945 8.432 0.513 1
1 549 . 14 1 1 A 46 46 ILE HA H 46 3.689 3.603 0.086 1
1 559 . 14 1 1 A 46 46 ILE C C 46 178.437 177.938 0.499 1
1 560 . 14 1 1 A 46 46 ILE CA C 46 65.391 65.034 0.357 1
1 561 . 14 1 1 A 46 46 ILE CB C 46 38.182 37.451 0.731 1
1 565 . 14 1 1 A 46 46 ILE N N 46 121.331 119.828 1.503 1
1 566 . 14 1 1 A 47 47 HIS H H 47 8.030 7.677 0.353 1
1 567 . 14 1 1 A 47 47 HIS HA H 47 4.663 4.564 0.099 1
1 572 . 14 1 1 A 47 47 HIS C C 47 175.308 175.491 -0.183 1
1 573 . 14 1 1 A 47 47 HIS CA C 47 56.736 56.032 0.704 1
1 574 . 14 1 1 A 47 47 HIS CB C 47 29.482 30.018 -0.536 1
1 577 . 14 1 1 A 47 47 HIS N N 47 113.700 117.444 -3.744 1
1 578 . 14 1 1 A 48 48 GLY H H 48 7.543 7.584 -0.041 1
1 579 . 14 1 1 A 48 48 GLY HA2 H 48 4.026 3.934 0.092 1
1 580 . 14 1 1 A 48 48 GLY HA3 H 48 3.904 3.949 -0.045 1
1 581 . 14 1 1 A 48 48 GLY C C 48 175.172 175.146 0.026 1
1 582 . 14 1 1 A 48 48 GLY CA C 48 46.740 46.403 0.337 1
1 583 . 14 1 1 A 48 48 GLY N N 48 106.113 107.912 -1.799 1
1 584 . 14 1 1 A 49 49 LEU H H 49 8.803 8.102 0.701 1
1 585 . 14 1 1 A 49 49 LEU HA H 49 4.090 4.094 -0.004 1
1 595 . 14 1 1 A 49 49 LEU C C 49 176.111 176.337 -0.226 1
1 596 . 14 1 1 A 49 49 LEU CA C 49 57.575 57.459 0.116 1
1 597 . 14 1 1 A 49 49 LEU CB C 49 42.969 42.696 0.273 1
1 601 . 14 1 1 A 49 49 LEU N N 49 122.636 122.104 0.532 1
1 602 . 14 1 1 A 50 50 ILE H H 50 7.257 7.352 -0.095 1
1 603 . 14 1 1 A 50 50 ILE HA H 50 4.689 4.754 -0.065 1
1 613 . 14 1 1 A 50 50 ILE C C 50 174.994 174.411 0.583 1
1 614 . 14 1 1 A 50 50 ILE CA C 50 58.262 58.739 -0.477 1
1 615 . 14 1 1 A 50 50 ILE CB C 50 41.641 41.385 0.256 1
1 619 . 14 1 1 A 50 50 ILE N N 50 107.650 114.466 -6.816 1
1 620 . 14 1 1 A 51 51 THR H H 51 8.677 8.376 0.301 1
1 621 . 14 1 1 A 51 51 THR HA H 51 4.466 4.728 -0.262 1
1 627 . 14 1 1 A 51 51 THR C C 51 175.227 175.160 0.067 1
1 628 . 14 1 1 A 51 51 THR CA C 51 60.728 59.958 0.770 1
1 629 . 14 1 1 A 51 51 THR CB C 51 71.216 70.558 0.658 1
1 631 . 14 1 1 A 51 51 THR N N 51 111.798 116.556 -4.758 1
1 632 . 14 1 1 A 52 52 GLU H H 52 9.034 9.092 -0.058 1
1 633 . 14 1 1 A 52 52 GLU HA H 52 3.507 3.536 -0.029 1
1 638 . 14 1 1 A 52 52 GLU C C 52 177.287 178.048 -0.761 1
1 639 . 14 1 1 A 52 52 GLU CA C 52 60.515 59.611 0.904 1
1 640 . 14 1 1 A 52 52 GLU CB C 52 29.418 29.050 0.368 1
1 642 . 14 1 1 A 52 52 GLU N N 52 122.067 126.416 -4.349 1
1 643 . 14 1 1 A 53 53 ARG H H 53 8.213 7.935 0.278 1
1 644 . 14 1 1 A 53 53 ARG HA H 53 3.740 3.965 -0.225 1
1 652 . 14 1 1 A 53 53 ARG C C 53 177.698 178.592 -0.894 1
1 653 . 14 1 1 A 53 53 ARG CA C 53 58.635 59.324 -0.689 1
1 654 . 14 1 1 A 53 53 ARG CB C 53 30.257 29.749 0.508 1
1 658 . 14 1 1 A 53 53 ARG N N 53 116.853 118.923 -2.070 1
1 660 . 14 1 1 A 54 54 GLU H H 54 7.747 8.302 -0.555 1
1 661 . 14 1 1 A 54 54 GLU HA H 54 3.978 3.973 0.005 1
1 666 . 14 1 1 A 54 54 GLU C C 54 178.915 178.214 0.701 1
1 667 . 14 1 1 A 54 54 GLU CA C 54 59.312 59.792 -0.480 1
1 668 . 14 1 1 A 54 54 GLU CB C 54 29.678 29.060 0.618 1
1 670 . 14 1 1 A 54 54 GLU N N 54 118.040 119.109 -1.069 1
1 671 . 14 1 1 A 55 55 ALA H H 55 7.932 7.432 0.500 1
1 672 . 14 1 1 A 55 55 ALA HA H 55 3.694 4.139 -0.445 1
1 676 . 14 1 1 A 55 55 ALA C C 55 178.383 179.994 -1.611 1
1 677 . 14 1 1 A 55 55 ALA CA C 55 55.871 55.228 0.643 1
1 678 . 14 1 1 A 55 55 ALA CB C 55 17.664 18.449 -0.785 1
1 679 . 14 1 1 A 55 55 ALA N N 55 122.121 122.101 0.020 1
1 680 . 14 1 1 A 56 56 LEU H H 56 8.110 8.266 -0.156 1
1 681 . 14 1 1 A 56 56 LEU HA H 56 3.605 3.745 -0.140 1
1 691 . 14 1 1 A 56 56 LEU C C 56 180.273 178.737 1.536 1
1 692 . 14 1 1 A 56 56 LEU CA C 56 58.167 58.057 0.110 1
1 693 . 14 1 1 A 56 56 LEU CB C 56 39.563 41.502 -1.939 1
1 697 . 14 1 1 A 56 56 LEU N N 56 114.908 118.700 -3.792 1
1 698 . 14 1 1 A 57 57 ASP H H 57 8.080 8.360 -0.280 1
1 699 . 14 1 1 A 57 57 ASP HA H 57 4.353 4.302 0.051 1
1 702 . 14 1 1 A 57 57 ASP C C 57 179.121 178.914 0.207 1
1 703 . 14 1 1 A 57 57 ASP CA C 57 56.644 57.146 -0.502 1
1 704 . 14 1 1 A 57 57 ASP CB C 57 40.909 40.386 0.523 1
1 705 . 14 1 1 A 57 57 ASP N N 57 117.019 119.555 -2.536 1
1 706 . 14 1 1 A 58 58 ARG H H 58 8.584 8.416 0.168 1
1 707 . 14 1 1 A 58 58 ARG HA H 58 3.728 4.045 -0.317 1
1 715 . 14 1 1 A 58 58 ARG C C 58 177.362 176.344 1.018 1
1 716 . 14 1 1 A 58 58 ARG CA C 58 59.141 57.854 1.287 1
1 717 . 14 1 1 A 58 58 ARG CB C 58 30.462 29.136 1.326 1
1 720 . 14 1 1 A 58 58 ARG N N 58 119.926 117.971 1.955 1
1 722 . 14 1 1 A 59 59 TYR H H 59 7.133 7.576 -0.443 1
1 723 . 14 1 1 A 59 59 TYR HA H 59 5.018 4.813 0.205 1
1 730 . 14 1 1 A 59 59 TYR C C 59 173.865 175.185 -1.320 1
1 731 . 14 1 1 A 59 59 TYR CA C 59 57.348 57.829 -0.481 1
1 732 . 14 1 1 A 59 59 TYR CB C 59 38.052 38.984 -0.932 1
1 737 . 14 1 1 A 59 59 TYR N N 59 111.796 118.024 -6.228 1
1 738 . 14 1 1 A 60 60 SER H H 60 7.542 8.148 -0.606 1
1 739 . 14 1 1 A 60 60 SER HA H 60 4.082 4.082 0.000 1
1 742 . 14 1 1 A 60 60 SER C C 60 176.402 173.027 3.375 1
1 743 . 14 1 1 A 60 60 SER CA C 60 58.482 59.287 -0.805 1
1 744 . 14 1 1 A 60 60 SER CB C 60 61.229 61.800 -0.571 1
1 745 . 14 1 1 A 60 60 SER N N 60 114.624 114.865 -0.241 1
1 746 . 14 1 1 A 61 61 LEU H H 61 8.228 7.974 0.254 1
1 747 . 14 1 1 A 61 61 LEU HA H 61 4.583 4.489 0.094 1
1 757 . 14 1 1 A 61 61 LEU C C 61 176.463 176.534 -0.071 1
1 758 . 14 1 1 A 61 61 LEU CA C 61 52.478 53.524 -1.046 1
1 759 . 14 1 1 A 61 61 LEU CB C 61 45.873 42.981 2.892 1
1 763 . 14 1 1 A 61 61 LEU N N 61 119.424 121.758 -2.334 1
1 764 . 14 1 1 A 62 62 SER H H 62 8.376 8.913 -0.537 1
1 765 . 14 1 1 A 62 62 SER HA H 62 4.555 4.624 -0.069 1
1 768 . 14 1 1 A 62 62 SER C C 62 175.088 175.618 -0.530 1
1 769 . 14 1 1 A 62 62 SER CA C 62 56.123 57.111 -0.988 1
1 770 . 14 1 1 A 62 62 SER CB C 62 65.560 65.131 0.429 1
1 771 . 14 1 1 A 62 62 SER N N 62 115.890 118.708 -2.818 1
1 772 . 14 1 1 A 63 63 GLU H H 63 9.204 9.079 0.125 1
1 773 . 14 1 1 A 63 63 GLU HA H 63 3.806 3.867 -0.061 1
1 778 . 14 1 1 A 63 63 GLU C C 63 179.412 178.193 1.219 1
1 779 . 14 1 1 A 63 63 GLU CA C 63 60.338 59.857 0.481 1
1 780 . 14 1 1 A 63 63 GLU CB C 63 29.354 29.358 -0.004 1
1 782 . 14 1 1 A 63 63 GLU N N 63 122.263 124.048 -1.785 1
1 783 . 14 1 1 A 64 64 GLU H H 64 8.859 8.433 0.426 1
1 784 . 14 1 1 A 64 64 GLU HA H 64 3.969 4.006 -0.037 1
1 789 . 14 1 1 A 64 64 GLU C C 64 178.700 178.886 -0.186 1
1 790 . 14 1 1 A 64 64 GLU CA C 64 59.822 59.032 0.790 1
1 791 . 14 1 1 A 64 64 GLU CB C 64 29.210 28.322 0.888 1
1 793 . 14 1 1 A 64 64 GLU N N 64 119.056 117.578 1.478 1
1 794 . 14 1 1 A 65 65 GLU H H 65 7.864 8.009 -0.145 1
1 795 . 14 1 1 A 65 65 GLU HA H 65 3.960 4.007 -0.047 1
1 800 . 14 1 1 A 65 65 GLU C C 65 177.783 178.639 -0.856 1
1 801 . 14 1 1 A 65 65 GLU CA C 65 58.817 59.298 -0.481 1
1 802 . 14 1 1 A 65 65 GLU CB C 65 29.452 29.290 0.162 1
1 804 . 14 1 1 A 65 65 GLU N N 65 121.783 120.657 1.126 1
1 805 . 14 1 1 A 66 66 PHE H H 66 7.918 7.919 -0.001 1
1 806 . 14 1 1 A 66 66 PHE HA H 66 3.294 3.630 -0.336 1
1 814 . 14 1 1 A 66 66 PHE C C 66 177.021 177.805 -0.784 1
1 815 . 14 1 1 A 66 66 PHE CA C 66 61.197 61.259 -0.062 1
1 816 . 14 1 1 A 66 66 PHE CB C 66 39.279 39.102 0.177 1
1 820 . 14 1 1 A 66 66 PHE N N 66 117.902 119.881 -1.979 1
1 821 . 14 1 1 A 67 67 ALA H H 67 8.011 8.326 -0.315 1
1 822 . 14 1 1 A 67 67 ALA HA H 67 3.839 4.003 -0.164 1
1 826 . 14 1 1 A 67 67 ALA C C 67 181.069 179.803 1.266 1
1 827 . 14 1 1 A 67 67 ALA CA C 67 55.296 55.232 0.064 1
1 828 . 14 1 1 A 67 67 ALA CB C 67 17.648 17.971 -0.323 1
1 829 . 14 1 1 A 67 67 ALA N N 67 119.951 121.205 -1.254 1
1 830 . 14 1 1 A 68 68 LEU H H 68 7.431 7.966 -0.535 1
1 831 . 14 1 1 A 68 68 LEU HA H 68 4.162 3.966 0.196 1
1 841 . 14 1 1 A 68 68 LEU C C 68 180.631 179.401 1.230 1
1 842 . 14 1 1 A 68 68 LEU CA C 68 57.621 57.900 -0.279 1
1 843 . 14 1 1 A 68 68 LEU CB C 68 41.083 42.407 -1.324 1
1 847 . 14 1 1 A 68 68 LEU N N 68 119.888 118.262 1.626 1
1 848 . 14 1 1 A 69 69 TRP H H 69 8.288 8.366 -0.078 1
1 849 . 14 1 1 A 69 69 TRP HA H 69 4.341 4.227 0.114 1
1 858 . 14 1 1 A 69 69 TRP C C 69 179.178 179.404 -0.226 1
1 859 . 14 1 1 A 69 69 TRP CA C 69 59.228 60.256 -1.028 1
1 860 . 14 1 1 A 69 69 TRP CB C 69 28.387 28.797 -0.410 1
1 866 . 14 1 1 A 69 69 TRP N N 69 122.616 118.719 3.897 1
1 868 . 14 1 1 A 70 70 ARG H H 70 8.291 8.027 0.264 1
1 869 . 14 1 1 A 70 70 ARG HA H 70 3.743 4.000 -0.257 1
1 877 . 14 1 1 A 70 70 ARG C C 70 178.811 178.371 0.440 1
1 878 . 14 1 1 A 70 70 ARG CA C 70 59.614 58.488 1.126 1
1 879 . 14 1 1 A 70 70 ARG CB C 70 30.171 29.663 0.508 1
1 882 . 14 1 1 A 70 70 ARG N N 70 117.864 118.266 -0.402 1
1 884 . 14 1 1 A 71 71 SER H H 71 8.000 7.692 0.308 1
1 885 . 14 1 1 A 71 71 SER HA H 71 4.212 4.216 -0.004 1
1 888 . 14 1 1 A 71 71 SER C C 71 176.074 176.284 -0.210 1
1 889 . 14 1 1 A 71 71 SER CA C 71 61.074 62.011 -0.937 1
1 890 . 14 1 1 A 71 71 SER CB C 71 62.891 63.313 -0.422 1
1 891 . 14 1 1 A 71 71 SER N N 71 114.582 117.702 -3.120 1
1 892 . 14 1 1 A 72 72 ALA H H 72 7.816 7.990 -0.174 1
1 893 . 14 1 1 A 72 72 ALA HA H 72 4.230 4.180 0.050 1
1 897 . 14 1 1 A 72 72 ALA C C 72 179.631 178.754 0.877 1
1 898 . 14 1 1 A 72 72 ALA CA C 72 54.245 54.293 -0.048 1
1 899 . 14 1 1 A 72 72 ALA CB C 72 18.687 18.118 0.569 1
1 900 . 14 1 1 A 72 72 ALA N N 72 124.141 123.491 0.650 1
1 901 . 14 1 1 A 73 73 VAL H H 73 7.728 7.311 0.417 1
1 902 . 14 1 1 A 73 73 VAL HA H 73 3.850 3.811 0.039 1
1 910 . 14 1 1 A 73 73 VAL C C 73 177.286 178.028 -0.742 1
1 911 . 14 1 1 A 73 73 VAL CA C 73 64.163 64.838 -0.675 1
1 912 . 14 1 1 A 73 73 VAL CB C 73 32.466 32.127 0.339 1
1 915 . 14 1 1 A 73 73 VAL N N 73 117.289 116.698 0.591 1
1 916 . 14 1 1 A 74 74 ALA H H 74 7.960 8.337 -0.377 1
1 917 . 14 1 1 A 74 74 ALA HA H 74 4.195 4.163 0.032 1
1 921 . 14 1 1 A 74 74 ALA C C 74 178.318 179.293 -0.975 1
1 922 . 14 1 1 A 74 74 ALA CA C 74 53.559 55.160 -1.601 1
1 923 . 14 1 1 A 74 74 ALA CB C 74 18.612 18.384 0.228 1
1 924 . 14 1 1 A 74 74 ALA N N 74 123.977 122.464 1.513 1
1 925 . 14 1 1 A 75 75 ALA H H 75 7.889 7.611 0.278 1
1 926 . 14 1 1 A 75 75 ALA HA H 75 4.214 4.567 -0.353 1
1 930 . 14 1 1 A 75 75 ALA C C 75 178.233 177.587 0.646 1
1 931 . 14 1 1 A 75 75 ALA CA C 75 53.242 52.258 0.984 1
1 932 . 14 1 1 A 75 75 ALA CB C 75 18.812 18.760 0.052 1
1 933 . 14 1 1 A 75 75 ALA N N 75 120.956 119.416 1.540 1
1 934 . 14 1 1 A 76 76 HIS H H 76 8.057 7.706 0.351 1
1 935 . 14 1 1 A 76 76 HIS HA H 76 4.585 4.252 0.333 1
1 939 . 14 1 1 A 76 76 HIS C C 76 176.217 175.981 0.236 1
1 940 . 14 1 1 A 76 76 HIS CA C 76 56.644 59.187 -2.543 1
1 941 . 14 1 1 A 76 76 HIS CB C 76 30.282 29.845 0.437 1
1 943 . 14 1 1 A 76 76 HIS N N 76 117.302 117.909 -0.607 1
1 944 . 14 1 1 A 77 77 GLY H H 77 8.229 8.087 0.142 1
1 945 . 14 1 1 A 77 77 GLY HA2 H 77 3.951 3.928 0.023 1
1 946 . 14 1 1 A 77 77 GLY HA3 H 77 3.951 3.940 0.011 1
1 947 . 14 1 1 A 77 77 GLY C C 77 174.415 175.050 -0.635 1
1 948 . 14 1 1 A 77 77 GLY CA C 77 45.560 46.646 -1.086 1
1 949 . 14 1 1 A 77 77 GLY N N 77 109.118 105.589 3.529 1
1 950 . 14 1 1 A 78 78 GLU H H 78 8.335 8.377 -0.042 1
1 951 . 14 1 1 A 78 78 GLU HA H 78 4.210 4.555 -0.345 1
1 956 . 14 1 1 A 78 78 GLU C C 78 177.052 178.413 -1.361 1
1 957 . 14 1 1 A 78 78 GLU CA C 78 56.836 58.015 -1.179 1
1 958 . 14 1 1 A 78 78 GLU CB C 78 30.136 30.787 -0.651 1
1 960 . 14 1 1 A 78 78 GLU N N 78 120.947 122.157 -1.210 1
1 961 . 14 1 1 A 79 79 LYS H H 79 8.299 7.910 0.389 1
1 962 . 14 1 1 A 79 79 LYS HA H 79 4.205 4.203 0.002 1
1 971 . 14 1 1 A 79 79 LYS C C 79 176.656 176.718 -0.062 1
1 972 . 14 1 1 A 79 79 LYS CA C 79 57.057 58.737 -1.680 1
1 973 . 14 1 1 A 79 79 LYS CB C 79 32.811 32.850 -0.039 1
1 977 . 14 1 1 A 79 79 LYS N N 79 121.638 118.032 3.606 1
1 978 . 14 1 1 A 80 80 ALA H H 80 8.142 7.842 0.300 1
1 979 . 14 1 1 A 80 80 ALA HA H 80 4.245 4.705 -0.460 1
1 983 . 14 1 1 A 80 80 ALA C C 80 177.868 176.620 1.248 1
1 984 . 14 1 1 A 80 80 ALA CA C 80 52.706 50.436 2.270 1
1 985 . 14 1 1 A 80 80 ALA CB C 80 19.117 21.051 -1.934 1
1 986 . 14 1 1 A 80 80 ALA N N 80 123.770 121.490 2.280 1
1 987 . 14 1 1 A 81 81 LEU H H 81 8.040 9.056 -1.016 1
1 988 . 14 1 1 A 81 81 LEU HA H 81 4.245 4.653 -0.408 1
1 998 . 14 1 1 A 81 81 LEU C C 81 177.434 176.090 1.344 1
1 999 . 14 1 1 A 81 81 LEU CA C 81 55.673 54.334 1.339 1
1 1000 . 14 1 1 A 81 81 LEU CB C 81 42.160 40.281 1.879 1
1 1004 . 14 1 1 A 81 81 LEU N N 81 120.893 124.682 -3.789 1
1 1005 . 14 1 1 A 82 82 LYS H H 82 8.178 8.255 -0.077 1
1 1006 . 14 1 1 A 82 82 LYS HA H 82 4.283 4.171 0.112 1
1 1015 . 14 1 1 A 82 82 LYS C C 82 176.810 177.847 -1.037 1
1 1016 . 14 1 1 A 82 82 LYS CA C 82 56.715 56.734 -0.019 1
1 1017 . 14 1 1 A 82 82 LYS CB C 82 32.846 33.509 -0.663 1
1 1021 . 14 1 1 A 82 82 LYS N N 82 121.957 124.425 -2.468 1
1 1022 . 14 1 1 A 83 83 VAL H H 83 8.123 8.518 -0.395 1
1 1023 . 14 1 1 A 83 83 VAL HA H 83 4.093 3.912 0.181 1
1 1031 . 14 1 1 A 83 83 VAL C C 83 176.604 177.657 -1.053 1
1 1032 . 14 1 1 A 83 83 VAL CA C 83 62.964 65.272 -2.308 1
1 1033 . 14 1 1 A 83 83 VAL CB C 83 32.742 31.801 0.941 1
1 1036 . 14 1 1 A 83 83 VAL N N 83 121.150 126.983 -5.833 1
1 1037 . 14 1 1 A 84 84 THR H H 84 8.162 7.819 0.343 1
1 1038 . 14 1 1 A 84 84 THR HA H 84 4.276 4.291 -0.015 1
1 1043 . 14 1 1 A 84 84 THR C C 84 174.773 175.887 -1.114 1
1 1044 . 14 1 1 A 84 84 THR CA C 84 62.558 64.609 -2.051 1
1 1045 . 14 1 1 A 84 84 THR CB C 84 69.726 68.290 1.436 1
1 1047 . 14 1 1 A 84 84 THR N N 84 117.587 115.847 1.740 1
1 1048 . 14 1 1 A 85 85 MET H H 85 8.353 8.460 -0.107 1
1 1049 . 14 1 1 A 85 85 MET HA H 85 4.448 4.255 0.193 1
1 1054 . 14 1 1 A 85 85 MET C C 85 176.518 178.045 -1.527 1
1 1055 . 14 1 1 A 85 85 MET CA C 85 56.074 57.467 -1.393 1
1 1056 . 14 1 1 A 85 85 MET CB C 85 32.837 32.554 0.283 1
1 1058 . 14 1 1 A 85 85 MET N N 85 122.707 119.957 2.750 1
1 1059 . 14 1 1 A 86 86 ILE H H 86 8.113 7.488 0.625 1
1 1060 . 14 1 1 A 86 86 ILE HA H 86 4.061 3.691 0.370 1
1 1070 . 14 1 1 A 86 86 ILE C C 86 176.712 177.832 -1.120 1
1 1071 . 14 1 1 A 86 86 ILE CA C 86 62.006 65.014 -3.008 1
1 1072 . 14 1 1 A 86 86 ILE CB C 86 38.402 37.104 1.298 1
1 1076 . 14 1 1 A 86 86 ILE N N 86 121.834 121.088 0.746 1
1 1077 . 14 1 1 A 87 87 GLN H H 87 8.328 8.174 0.154 1
1 1078 . 14 1 1 A 87 87 GLN HA H 87 4.190 3.976 0.214 1
1 1085 . 14 1 1 A 87 87 GLN C C 87 176.617 178.121 -1.504 1
1 1086 . 14 1 1 A 87 87 GLN CA C 87 56.798 59.443 -2.645 1
1 1087 . 14 1 1 A 87 87 GLN CB C 87 29.044 28.159 0.885 1
1 1089 . 14 1 1 A 87 87 GLN N N 87 123.529 120.313 3.216 1
1 1091 . 14 1 1 A 88 88 LYS H H 88 8.232 7.618 0.614 1
1 1092 . 14 1 1 A 88 88 LYS HA H 88 4.133 3.982 0.151 1
1 1101 . 14 1 1 A 88 88 LYS C C 88 176.983 179.125 -2.142 1
1 1102 . 14 1 1 A 88 88 LYS CA C 88 57.289 59.047 -1.758 1
1 1103 . 14 1 1 A 88 88 LYS CB C 88 32.806 31.987 0.819 1
1 1107 . 14 1 1 A 88 88 LYS N N 88 121.677 118.640 3.037 1
1 1108 . 14 1 1 A 89 89 TYR H H 89 8.086 7.785 0.301 1
1 1109 . 14 1 1 A 89 89 TYR HA H 89 4.492 4.191 0.301 1
1 1116 . 14 1 1 A 89 89 TYR C C 89 176.250 178.589 -2.339 1
1 1117 . 14 1 1 A 89 89 TYR CA C 89 58.546 60.754 -2.208 1
1 1118 . 14 1 1 A 89 89 TYR CB C 89 38.410 37.890 0.520 1
1 1123 . 14 1 1 A 89 89 TYR N N 89 119.993 119.111 0.882 1
1 1124 . 14 1 1 A 90 90 ARG H H 90 8.127 8.697 -0.570 1
1 1125 . 14 1 1 A 90 90 ARG HA H 90 4.119 4.011 0.108 1
1 1132 . 14 1 1 A 90 90 ARG C C 90 176.628 177.882 -1.254 1
1 1133 . 14 1 1 A 90 90 ARG CA C 90 57.085 59.388 -2.303 1
1 1134 . 14 1 1 A 90 90 ARG CB C 90 30.568 30.075 0.493 1
1 1137 . 14 1 1 A 90 90 ARG N N 90 121.679 119.867 1.812 1
1 1138 . 14 1 1 A 91 91 GLN H H 91 8.232 7.824 0.408 1
1 1139 . 14 1 1 A 91 91 GLN HA H 91 4.179 4.539 -0.360 1
1 1146 . 14 1 1 A 91 91 GLN C C 91 176.491 176.751 -0.260 1
1 1147 . 14 1 1 A 91 91 GLN CA C 91 56.800 55.333 1.467 1
1 1148 . 14 1 1 A 91 91 GLN CB C 91 29.129 29.187 -0.058 1
1 1150 . 14 1 1 A 91 91 GLN N N 91 120.420 115.501 4.919 1
1 1152 . 14 1 1 A 92 92 LEU H H 92 8.118 7.845 0.273 1
1 1153 . 14 1 1 A 92 92 LEU HA H 92 4.269 4.245 0.024 1
1 1162 . 14 1 1 A 92 92 LEU C C 92 177.632 177.477 0.155 1
1 1163 . 14 1 1 A 92 92 LEU CA C 92 55.419 57.463 -2.044 1
1 1164 . 14 1 1 A 92 92 LEU CB C 92 42.238 42.475 -0.237 1
1 1167 . 14 1 1 A 92 92 LEU N N 92 122.670 120.816 1.854 1
1 1168 . 14 1 1 A 93 93 HIS H H 93 8.049 7.595 0.454 1
1 1169 . 14 1 1 A 93 93 HIS HA H 93 4.228 4.442 -0.214 1
1 1172 . 14 1 1 A 93 93 HIS C C 93 177.608 174.464 3.144 1
1 1173 . 14 1 1 A 93 93 HIS CA C 93 55.512 55.856 -0.344 1
1 1174 . 14 1 1 A 93 93 HIS CB C 93 42.238 29.848 12.390 1
1 1175 . 14 1 1 A 93 93 HIS N N 93 121.742 118.703 3.039 1
1 1176 . 14 1 1 A 94 94 HIS H H 94 8.153 8.695 -0.542 1
1 1177 . 14 1 1 A 94 94 HIS HA H 94 4.141 4.617 -0.476 1
1 1180 . 14 1 1 A 94 94 HIS CA C 94 56.804 55.167 1.637 1
1 1181 . 14 1 1 A 94 94 HIS CB C 94 30.254 31.495 -1.241 1
1 1182 . 14 1 1 A 94 94 HIS N N 94 120.504 122.955 -2.451 1
1 1 . 15 1 1 A 2 2 TYR HA H 2 4.593 4.704 -0.111 1
1 8 . 15 1 1 A 2 2 TYR C C 2 174.805 175.656 -0.851 1
1 9 . 15 1 1 A 2 2 TYR CA C 2 57.884 57.911 -0.027 1
1 10 . 15 1 1 A 2 2 TYR CB C 2 38.790 41.344 -2.554 1
1 15 . 15 1 1 A 3 3 LEU H H 3 8.189 8.044 0.145 1
1 16 . 15 1 1 A 3 3 LEU HA H 3 4.268 3.876 0.392 1
1 25 . 15 1 1 A 3 3 LEU C C 3 176.110 177.006 -0.896 1
1 26 . 15 1 1 A 3 3 LEU CA C 3 54.574 58.651 -4.077 1
1 27 . 15 1 1 A 3 3 LEU CB C 3 42.796 41.679 1.117 1
1 30 . 15 1 1 A 3 3 LEU N N 3 126.201 125.611 0.590 1
1 31 . 15 1 1 A 4 4 LYS H H 4 8.132 7.553 0.579 1
1 32 . 15 1 1 A 4 4 LYS HA H 4 4.336 4.634 -0.298 1
1 35 . 15 1 1 A 4 4 LYS C C 4 175.828 175.750 0.078 1
1 36 . 15 1 1 A 4 4 LYS CA C 4 56.186 55.760 0.426 1
1 37 . 15 1 1 A 4 4 LYS CB C 4 33.084 33.692 -0.608 1
1 38 . 15 1 1 A 4 4 LYS N N 4 123.332 119.984 3.348 1
1 39 . 15 1 1 A 5 5 ARG H H 5 8.537 8.696 -0.159 1
1 40 . 15 1 1 A 5 5 ARG HA H 5 4.327 5.001 -0.674 1
1 47 . 15 1 1 A 5 5 ARG C C 5 176.158 174.651 1.507 1
1 48 . 15 1 1 A 5 5 ARG CA C 5 56.076 54.674 1.402 1
1 49 . 15 1 1 A 5 5 ARG CB C 5 31.028 34.233 -3.205 1
1 52 . 15 1 1 A 5 5 ARG N N 5 124.828 127.909 -3.081 1
1 53 . 15 1 1 A 6 6 VAL H H 6 8.344 8.841 -0.497 1
1 54 . 15 1 1 A 6 6 VAL HA H 6 4.154 4.110 0.044 1
1 62 . 15 1 1 A 6 6 VAL C C 6 175.662 174.594 1.068 1
1 63 . 15 1 1 A 6 6 VAL CA C 6 61.973 63.080 -1.107 1
1 64 . 15 1 1 A 6 6 VAL CB C 6 32.937 31.051 1.886 1
1 66 . 15 1 1 A 6 6 VAL N N 6 122.153 126.713 -4.560 1
1 67 . 15 1 1 A 7 7 ASP H H 7 8.469 8.869 -0.400 1
1 68 . 15 1 1 A 7 7 ASP HA H 7 4.681 4.937 -0.256 1
1 71 . 15 1 1 A 7 7 ASP C C 7 176.217 175.637 0.580 1
1 72 . 15 1 1 A 7 7 ASP CA C 7 54.202 53.261 0.941 1
1 73 . 15 1 1 A 7 7 ASP CB C 7 41.583 42.144 -0.561 1
1 74 . 15 1 1 A 7 7 ASP N N 7 124.555 128.257 -3.702 1
1 75 . 15 1 1 A 8 8 GLY H H 8 8.185 8.318 -0.133 1
1 76 . 15 1 1 A 8 8 GLY HA2 H 8 4.184 4.175 0.009 1
1 77 . 15 1 1 A 8 8 GLY HA3 H 8 4.070 4.180 -0.110 1
1 78 . 15 1 1 A 8 8 GLY C C 8 171.436 173.163 -1.727 1
1 79 . 15 1 1 A 8 8 GLY CA C 8 44.634 44.532 0.102 1
1 80 . 15 1 1 A 8 8 GLY N N 8 109.085 113.106 -4.021 1
1 81 . 15 1 1 A 9 9 PRO HA H 9 4.510 4.586 -0.076 1
1 88 . 15 1 1 A 9 9 PRO C C 9 176.784 176.180 0.604 1
1 89 . 15 1 1 A 9 9 PRO CA C 9 62.869 62.464 0.405 1
1 90 . 15 1 1 A 9 9 PRO CB C 9 32.364 33.090 -0.726 1
1 93 . 15 1 1 A 10 10 ARG H H 10 8.761 9.119 -0.358 1
1 94 . 15 1 1 A 10 10 ARG HA H 10 4.165 4.219 -0.054 1
1 99 . 15 1 1 A 10 10 ARG C C 10 175.911 176.165 -0.254 1
1 100 . 15 1 1 A 10 10 ARG CA C 10 57.463 57.592 -0.129 1
1 101 . 15 1 1 A 10 10 ARG CB C 10 31.030 31.050 -0.020 1
1 103 . 15 1 1 A 10 10 ARG N N 10 120.390 119.774 0.616 1
1 104 . 15 1 1 A 11 11 GLN H H 11 7.790 7.733 0.057 1
1 105 . 15 1 1 A 11 11 GLN HA H 11 5.173 4.881 0.292 1
1 112 . 15 1 1 A 11 11 GLN C C 11 173.893 173.540 0.353 1
1 113 . 15 1 1 A 11 11 GLN CA C 11 54.402 54.702 -0.300 1
1 114 . 15 1 1 A 11 11 GLN CB C 11 31.366 31.876 -0.510 1
1 116 . 15 1 1 A 11 11 GLN N N 11 114.694 115.424 -0.730 1
1 118 . 15 1 1 A 12 12 VAL H H 12 8.803 9.170 -0.367 1
1 119 . 15 1 1 A 12 12 VAL HA H 12 4.625 4.973 -0.348 1
1 127 . 15 1 1 A 12 12 VAL C C 12 173.796 174.087 -0.291 1
1 128 . 15 1 1 A 12 12 VAL CA C 12 60.127 59.539 0.588 1
1 129 . 15 1 1 A 12 12 VAL CB C 12 35.590 35.616 -0.026 1
1 132 . 15 1 1 A 12 12 VAL N N 12 115.575 117.207 -1.632 1
1 133 . 15 1 1 A 13 13 THR H H 13 8.553 8.617 -0.064 1
1 134 . 15 1 1 A 13 13 THR HA H 13 4.772 4.776 -0.004 1
1 139 . 15 1 1 A 13 13 THR C C 13 174.526 174.414 0.112 1
1 140 . 15 1 1 A 13 13 THR CA C 13 61.880 61.778 0.102 1
1 141 . 15 1 1 A 13 13 THR CB C 13 69.319 70.117 -0.798 1
1 143 . 15 1 1 A 13 13 THR N N 13 119.282 118.049 1.233 1
1 144 . 15 1 1 A 14 14 LEU H H 14 9.254 8.923 0.331 1
1 145 . 15 1 1 A 14 14 LEU HA H 14 4.210 4.321 -0.111 1
1 155 . 15 1 1 A 14 14 LEU C C 14 177.361 176.765 0.596 1
1 156 . 15 1 1 A 14 14 LEU CA C 14 54.116 52.889 1.227 1
1 157 . 15 1 1 A 14 14 LEU CB C 14 39.546 41.434 -1.888 1
1 161 . 15 1 1 A 14 14 LEU N N 14 129.147 127.401 1.746 1
1 162 . 15 1 1 A 15 15 PRO HA H 15 4.294 4.450 -0.156 1
1 169 . 15 1 1 A 15 15 PRO C C 15 176.570 177.461 -0.891 1
1 170 . 15 1 1 A 15 15 PRO CA C 15 65.392 64.591 0.801 1
1 171 . 15 1 1 A 15 15 PRO CB C 15 31.808 31.750 0.058 1
1 174 . 15 1 1 A 16 16 ASP H H 16 7.397 7.950 -0.553 1
1 175 . 15 1 1 A 16 16 ASP HA H 16 4.486 4.676 -0.190 1
1 178 . 15 1 1 A 16 16 ASP C C 16 177.056 176.238 0.818 1
1 179 . 15 1 1 A 16 16 ASP CA C 16 53.157 54.481 -1.324 1
1 180 . 15 1 1 A 16 16 ASP CB C 16 39.987 41.292 -1.305 1
1 181 . 15 1 1 A 16 16 ASP N N 16 113.036 117.585 -4.549 1
1 182 . 15 1 1 A 17 17 GLY H H 17 8.399 7.817 0.582 1
1 183 . 15 1 1 A 17 17 GLY HA2 H 17 4.293 3.908 0.385 1
1 184 . 15 1 1 A 17 17 GLY HA3 H 17 3.481 3.915 -0.434 1
1 185 . 15 1 1 A 17 17 GLY C C 17 174.700 174.553 0.147 1
1 186 . 15 1 1 A 17 17 GLY CA C 17 44.998 44.690 0.308 1
1 187 . 15 1 1 A 17 17 GLY N N 17 108.859 107.563 1.296 1
1 188 . 15 1 1 A 18 18 THR H H 18 8.003 7.928 0.075 1
1 189 . 15 1 1 A 18 18 THR HA H 18 4.151 4.471 -0.320 1
1 194 . 15 1 1 A 18 18 THR C C 18 172.576 173.499 -0.923 1
1 195 . 15 1 1 A 18 18 THR CA C 18 63.144 62.065 1.079 1
1 196 . 15 1 1 A 18 18 THR CB C 18 69.888 70.553 -0.665 1
1 198 . 15 1 1 A 18 18 THR N N 18 116.015 114.223 1.792 1
1 199 . 15 1 1 A 19 19 VAL H H 19 8.384 8.380 0.004 1
1 200 . 15 1 1 A 19 19 VAL HA H 19 4.726 4.851 -0.125 1
1 208 . 15 1 1 A 19 19 VAL C C 19 175.823 174.311 1.512 1
1 209 . 15 1 1 A 19 19 VAL CA C 19 61.491 60.908 0.583 1
1 210 . 15 1 1 A 19 19 VAL CB C 19 33.757 33.972 -0.215 1
1 213 . 15 1 1 A 19 19 VAL N N 19 121.723 121.447 0.276 1
1 214 . 15 1 1 A 20 20 LEU H H 20 8.948 9.041 -0.093 1
1 215 . 15 1 1 A 20 20 LEU HA H 20 4.784 5.066 -0.282 1
1 225 . 15 1 1 A 20 20 LEU C C 20 174.749 176.161 -1.412 1
1 226 . 15 1 1 A 20 20 LEU CA C 20 53.616 53.605 0.011 1
1 227 . 15 1 1 A 20 20 LEU CB C 20 45.062 44.461 0.601 1
1 231 . 15 1 1 A 20 20 LEU N N 20 129.673 130.465 -0.792 1
1 232 . 15 1 1 A 21 21 SER H H 21 9.246 9.254 -0.008 1
1 233 . 15 1 1 A 21 21 SER HA H 21 5.207 4.915 0.292 1
1 236 . 15 1 1 A 21 21 SER C C 21 176.047 175.825 0.222 1
1 237 . 15 1 1 A 21 21 SER CA C 21 56.523 56.561 -0.038 1
1 238 . 15 1 1 A 21 21 SER CB C 21 66.369 66.315 0.054 1
1 239 . 15 1 1 A 21 21 SER N N 21 120.387 119.050 1.337 1
1 240 . 15 1 1 A 22 22 ARG H H 22 8.847 8.974 -0.127 1
1 241 . 15 1 1 A 22 22 ARG HA H 22 3.868 4.282 -0.414 1
1 248 . 15 1 1 A 22 22 ARG C C 22 178.388 176.774 1.614 1
1 249 . 15 1 1 A 22 22 ARG CA C 22 60.207 58.437 1.770 1
1 250 . 15 1 1 A 22 22 ARG CB C 22 29.118 30.035 -0.917 1
1 253 . 15 1 1 A 22 22 ARG N N 22 122.878 120.784 2.094 1
1 254 . 15 1 1 A 23 23 ALA H H 23 8.243 7.489 0.754 1
1 255 . 15 1 1 A 23 23 ALA HA H 23 4.175 4.384 -0.209 1
1 259 . 15 1 1 A 23 23 ALA C C 23 177.763 177.883 -0.120 1
1 260 . 15 1 1 A 23 23 ALA CA C 23 54.000 52.019 1.981 1
1 261 . 15 1 1 A 23 23 ALA CB C 23 18.461 19.689 -1.228 1
1 262 . 15 1 1 A 23 23 ALA N N 23 121.050 120.691 0.359 1
1 263 . 15 1 1 A 24 24 ASP H H 24 7.597 8.070 -0.473 1
1 264 . 15 1 1 A 24 24 ASP HA H 24 4.632 4.693 -0.061 1
1 267 . 15 1 1 A 24 24 ASP C C 24 176.608 176.731 -0.123 1
1 268 . 15 1 1 A 24 24 ASP CA C 24 54.726 54.769 -0.043 1
1 269 . 15 1 1 A 24 24 ASP CB C 24 42.026 41.713 0.313 1
1 270 . 15 1 1 A 24 24 ASP N N 24 115.095 117.666 -2.571 1
1 271 . 15 1 1 A 25 25 LEU H H 25 7.311 7.398 -0.087 1
1 272 . 15 1 1 A 25 25 LEU HA H 25 4.402 4.485 -0.083 1
1 282 . 15 1 1 A 25 25 LEU C C 25 174.724 174.936 -0.212 1
1 283 . 15 1 1 A 25 25 LEU CA C 25 53.307 54.012 -0.705 1
1 284 . 15 1 1 A 25 25 LEU CB C 25 40.047 42.214 -2.167 1
1 288 . 15 1 1 A 25 25 LEU N N 25 119.781 123.122 -3.341 1
1 289 . 15 1 1 A 26 26 PRO HA H 26 4.745 4.708 0.037 1
1 296 . 15 1 1 A 26 26 PRO CA C 26 61.496 61.834 -0.338 1
1 297 . 15 1 1 A 26 26 PRO CB C 26 30.700 31.815 -1.115 1
1 300 . 15 1 1 A 27 27 PRO HA H 27 4.598 4.560 0.038 1
1 307 . 15 1 1 A 27 27 PRO C C 27 178.036 177.874 0.162 1
1 308 . 15 1 1 A 27 27 PRO CA C 27 62.923 63.020 -0.097 1
1 309 . 15 1 1 A 27 27 PRO CB C 27 32.758 32.323 0.435 1
1 312 . 15 1 1 A 28 28 LEU H H 28 8.880 8.565 0.315 1
1 313 . 15 1 1 A 28 28 LEU HA H 28 4.177 4.164 0.013 1
1 323 . 15 1 1 A 28 28 LEU C C 28 176.873 177.502 -0.629 1
1 324 . 15 1 1 A 28 28 LEU CA C 28 57.833 57.617 0.216 1
1 325 . 15 1 1 A 28 28 LEU CB C 28 41.291 41.759 -0.468 1
1 329 . 15 1 1 A 28 28 LEU N N 28 122.643 123.435 -0.792 1
1 330 . 15 1 1 A 29 29 ASP H H 29 8.203 7.710 0.493 1
1 331 . 15 1 1 A 29 29 ASP HA H 29 4.615 5.059 -0.444 1
1 334 . 15 1 1 A 29 29 ASP C C 29 176.158 176.541 -0.383 1
1 335 . 15 1 1 A 29 29 ASP CA C 29 53.098 53.531 -0.433 1
1 336 . 15 1 1 A 29 29 ASP CB C 29 39.311 41.581 -2.270 1
1 337 . 15 1 1 A 29 29 ASP N N 29 115.741 116.301 -0.560 1
1 338 . 15 1 1 A 30 30 THR H H 30 7.516 7.127 0.389 1
1 339 . 15 1 1 A 30 30 THR HA H 30 3.599 3.772 -0.173 1
1 344 . 15 1 1 A 30 30 THR C C 30 174.366 174.350 0.016 1
1 345 . 15 1 1 A 30 30 THR CA C 30 65.815 65.538 0.277 1
1 346 . 15 1 1 A 30 30 THR CB C 30 69.989 68.351 1.638 1
1 348 . 15 1 1 A 30 30 THR N N 30 116.808 114.816 1.992 1
1 349 . 15 1 1 A 31 31 ARG H H 31 8.482 7.630 0.852 1
1 350 . 15 1 1 A 31 31 ARG HA H 31 4.583 3.886 0.697 1
1 358 . 15 1 1 A 31 31 ARG CA C 31 55.399 58.818 -3.419 1
1 359 . 15 1 1 A 31 31 ARG CB C 31 32.296 28.526 3.770 1
1 362 . 15 1 1 A 31 31 ARG N N 31 124.991 118.804 6.187 1
1 364 . 15 1 1 A 32 32 ARG HA H 32 4.523 4.409 0.114 1
1 372 . 15 1 1 A 32 32 ARG C C 32 175.341 174.978 0.363 1
1 373 . 15 1 1 A 32 32 ARG CA C 32 54.759 55.176 -0.417 1
1 374 . 15 1 1 A 32 32 ARG CB C 32 30.348 29.067 1.281 1
1 378 . 15 1 1 A 33 33 TRP H H 33 8.923 8.651 0.272 1
1 379 . 15 1 1 A 33 33 TRP HA H 33 4.292 4.681 -0.389 1
1 388 . 15 1 1 A 33 33 TRP C C 33 176.208 176.397 -0.189 1
1 389 . 15 1 1 A 33 33 TRP CA C 33 56.923 58.272 -1.349 1
1 390 . 15 1 1 A 33 33 TRP CB C 33 28.492 30.158 -1.666 1
1 396 . 15 1 1 A 33 33 TRP N N 33 128.804 127.259 1.545 1
1 398 . 15 1 1 A 34 34 VAL H H 34 6.953 8.726 -1.773 1
1 399 . 15 1 1 A 34 34 VAL HA H 34 4.451 4.702 -0.251 1
1 407 . 15 1 1 A 34 34 VAL C C 34 177.217 176.756 0.461 1
1 408 . 15 1 1 A 34 34 VAL CA C 34 60.180 59.492 0.688 1
1 409 . 15 1 1 A 34 34 VAL CB C 34 32.686 34.816 -2.130 1
1 412 . 15 1 1 A 34 34 VAL N N 34 114.683 119.273 -4.590 1
1 413 . 15 1 1 A 35 35 ALA HA H 35 3.745 3.858 -0.113 1
1 417 . 15 1 1 A 35 35 ALA C C 35 180.114 179.749 0.365 1
1 418 . 15 1 1 A 35 35 ALA CA C 35 56.618 55.504 1.114 1
1 419 . 15 1 1 A 35 35 ALA CB C 35 18.334 18.033 0.301 1
1 420 . 15 1 1 A 36 36 SER H H 36 8.841 8.032 0.809 1
1 421 . 15 1 1 A 36 36 SER HA H 36 4.140 4.132 0.008 1
1 424 . 15 1 1 A 36 36 SER C C 36 177.291 176.691 0.600 1
1 425 . 15 1 1 A 36 36 SER CA C 36 61.250 60.546 0.704 1
1 426 . 15 1 1 A 36 36 SER CB C 36 61.673 62.894 -1.221 1
1 427 . 15 1 1 A 36 36 SER N N 36 111.913 113.673 -1.760 1
1 428 . 15 1 1 A 37 37 ARG H H 37 7.183 7.847 -0.664 1
1 429 . 15 1 1 A 37 37 ARG HA H 37 4.349 4.177 0.172 1
1 436 . 15 1 1 A 37 37 ARG C C 37 177.816 178.662 -0.846 1
1 437 . 15 1 1 A 37 37 ARG CA C 37 58.944 58.833 0.111 1
1 438 . 15 1 1 A 37 37 ARG CB C 37 31.009 29.718 1.291 1
1 441 . 15 1 1 A 37 37 ARG N N 37 123.504 121.905 1.599 1
1 442 . 15 1 1 A 38 38 LYS H H 38 7.514 7.911 -0.397 1
1 443 . 15 1 1 A 38 38 LYS HA H 38 3.592 3.126 0.466 1
1 452 . 15 1 1 A 38 38 LYS C C 38 178.935 178.790 0.145 1
1 453 . 15 1 1 A 38 38 LYS CA C 38 59.846 58.930 0.916 1
1 454 . 15 1 1 A 38 38 LYS CB C 38 33.310 31.483 1.827 1
1 458 . 15 1 1 A 38 38 LYS N N 38 118.200 119.457 -1.257 1
1 459 . 15 1 1 A 39 39 ALA H H 39 8.131 7.914 0.217 1
1 460 . 15 1 1 A 39 39 ALA HA H 39 3.865 3.992 -0.127 1
1 464 . 15 1 1 A 39 39 ALA C C 39 178.995 179.714 -0.719 1
1 465 . 15 1 1 A 39 39 ALA CA C 39 55.093 54.997 0.096 1
1 466 . 15 1 1 A 39 39 ALA CB C 39 18.124 17.736 0.388 1
1 467 . 15 1 1 A 39 39 ALA N N 39 117.547 122.183 -4.636 1
1 468 . 15 1 1 A 40 40 ALA H H 40 7.375 7.895 -0.520 1
1 469 . 15 1 1 A 40 40 ALA HA H 40 4.134 4.096 0.038 1
1 473 . 15 1 1 A 40 40 ALA C C 40 179.512 180.102 -0.590 1
1 474 . 15 1 1 A 40 40 ALA CA C 40 55.506 55.328 0.178 1
1 475 . 15 1 1 A 40 40 ALA CB C 40 18.473 18.242 0.231 1
1 476 . 15 1 1 A 40 40 ALA N N 40 119.346 119.927 -0.581 1
1 477 . 15 1 1 A 41 41 VAL H H 41 7.382 7.817 -0.435 1
1 478 . 15 1 1 A 41 41 VAL HA H 41 3.642 3.724 -0.082 1
1 486 . 15 1 1 A 41 41 VAL C C 41 177.423 178.193 -0.770 1
1 487 . 15 1 1 A 41 41 VAL CA C 41 67.279 67.010 0.269 1
1 488 . 15 1 1 A 41 41 VAL CB C 41 32.149 31.832 0.317 1
1 491 . 15 1 1 A 41 41 VAL N N 41 116.434 118.551 -2.117 1
1 492 . 15 1 1 A 42 42 VAL H H 42 8.332 8.293 0.039 1
1 493 . 15 1 1 A 42 42 VAL HA H 42 3.723 3.810 -0.087 1
1 501 . 15 1 1 A 42 42 VAL C C 42 178.381 177.846 0.535 1
1 502 . 15 1 1 A 42 42 VAL CA C 42 67.698 65.172 2.526 1
1 503 . 15 1 1 A 42 42 VAL CB C 42 32.170 31.071 1.099 1
1 506 . 15 1 1 A 42 42 VAL N N 42 118.061 120.430 -2.369 1
1 507 . 15 1 1 A 43 43 LYS H H 43 8.973 8.200 0.773 1
1 508 . 15 1 1 A 43 43 LYS HA H 43 3.977 4.037 -0.060 1
1 517 . 15 1 1 A 43 43 LYS C C 43 177.830 179.232 -1.402 1
1 518 . 15 1 1 A 43 43 LYS CA C 43 60.343 59.282 1.061 1
1 519 . 15 1 1 A 43 43 LYS CB C 43 32.863 32.264 0.599 1
1 523 . 15 1 1 A 43 43 LYS N N 43 118.026 122.408 -4.382 1
1 524 . 15 1 1 A 44 44 ALA H H 44 7.959 7.923 0.036 1
1 525 . 15 1 1 A 44 44 ALA HA H 44 3.968 4.125 -0.157 1
1 529 . 15 1 1 A 44 44 ALA C C 44 178.921 180.225 -1.304 1
1 530 . 15 1 1 A 44 44 ALA CA C 44 55.324 55.277 0.047 1
1 531 . 15 1 1 A 44 44 ALA CB C 44 19.816 18.409 1.407 1
1 532 . 15 1 1 A 44 44 ALA N N 44 119.893 122.579 -2.686 1
1 533 . 15 1 1 A 45 45 VAL H H 45 7.789 7.749 0.040 1
1 534 . 15 1 1 A 45 45 VAL HA H 45 4.494 4.041 0.453 1
1 542 . 15 1 1 A 45 45 VAL C C 45 180.590 178.612 1.978 1
1 543 . 15 1 1 A 45 45 VAL CA C 45 64.383 66.673 -2.290 1
1 544 . 15 1 1 A 45 45 VAL CB C 45 32.456 31.564 0.892 1
1 547 . 15 1 1 A 45 45 VAL N N 45 118.569 117.686 0.883 1
1 548 . 15 1 1 A 46 46 ILE H H 46 8.945 8.365 0.580 1
1 549 . 15 1 1 A 46 46 ILE HA H 46 3.689 3.453 0.236 1
1 559 . 15 1 1 A 46 46 ILE C C 46 178.437 178.198 0.239 1
1 560 . 15 1 1 A 46 46 ILE CA C 46 65.391 64.866 0.525 1
1 561 . 15 1 1 A 46 46 ILE CB C 46 38.182 37.545 0.637 1
1 565 . 15 1 1 A 46 46 ILE N N 46 121.331 120.263 1.068 1
1 566 . 15 1 1 A 47 47 HIS H H 47 8.030 7.733 0.297 1
1 567 . 15 1 1 A 47 47 HIS HA H 47 4.663 4.560 0.103 1
1 572 . 15 1 1 A 47 47 HIS C C 47 175.308 175.608 -0.300 1
1 573 . 15 1 1 A 47 47 HIS CA C 47 56.736 56.109 0.627 1
1 574 . 15 1 1 A 47 47 HIS CB C 47 29.482 30.002 -0.520 1
1 577 . 15 1 1 A 47 47 HIS N N 47 113.700 117.053 -3.353 1
1 578 . 15 1 1 A 48 48 GLY H H 48 7.543 7.637 -0.094 1
1 579 . 15 1 1 A 48 48 GLY HA2 H 48 4.026 3.983 0.043 1
1 580 . 15 1 1 A 48 48 GLY HA3 H 48 3.904 3.993 -0.089 1
1 581 . 15 1 1 A 48 48 GLY C C 48 175.172 175.159 0.013 1
1 582 . 15 1 1 A 48 48 GLY CA C 48 46.740 46.179 0.561 1
1 583 . 15 1 1 A 48 48 GLY N N 48 106.113 107.459 -1.346 1
1 584 . 15 1 1 A 49 49 LEU H H 49 8.803 8.166 0.637 1
1 585 . 15 1 1 A 49 49 LEU HA H 49 4.090 4.107 -0.017 1
1 595 . 15 1 1 A 49 49 LEU C C 49 176.111 176.329 -0.218 1
1 596 . 15 1 1 A 49 49 LEU CA C 49 57.575 57.361 0.214 1
1 597 . 15 1 1 A 49 49 LEU CB C 49 42.969 43.020 -0.051 1
1 601 . 15 1 1 A 49 49 LEU N N 49 122.636 122.167 0.469 1
1 602 . 15 1 1 A 50 50 ILE H H 50 7.257 7.344 -0.087 1
1 603 . 15 1 1 A 50 50 ILE HA H 50 4.689 5.072 -0.383 1
1 613 . 15 1 1 A 50 50 ILE C C 50 174.994 174.572 0.422 1
1 614 . 15 1 1 A 50 50 ILE CA C 50 58.262 58.776 -0.514 1
1 615 . 15 1 1 A 50 50 ILE CB C 50 41.641 41.679 -0.038 1
1 619 . 15 1 1 A 50 50 ILE N N 50 107.650 114.172 -6.522 1
1 620 . 15 1 1 A 51 51 THR H H 51 8.677 8.359 0.318 1
1 621 . 15 1 1 A 51 51 THR HA H 51 4.466 4.596 -0.130 1
1 627 . 15 1 1 A 51 51 THR C C 51 175.227 175.117 0.110 1
1 628 . 15 1 1 A 51 51 THR CA C 51 60.728 60.678 0.050 1
1 629 . 15 1 1 A 51 51 THR CB C 51 71.216 70.207 1.009 1
1 631 . 15 1 1 A 51 51 THR N N 51 111.798 116.920 -5.122 1
1 632 . 15 1 1 A 52 52 GLU H H 52 9.034 8.967 0.067 1
1 633 . 15 1 1 A 52 52 GLU HA H 52 3.507 3.407 0.100 1
1 638 . 15 1 1 A 52 52 GLU C C 52 177.287 177.582 -0.295 1
1 639 . 15 1 1 A 52 52 GLU CA C 52 60.515 59.556 0.959 1
1 640 . 15 1 1 A 52 52 GLU CB C 52 29.418 28.819 0.599 1
1 642 . 15 1 1 A 52 52 GLU N N 52 122.067 126.237 -4.170 1
1 643 . 15 1 1 A 53 53 ARG H H 53 8.213 7.440 0.773 1
1 644 . 15 1 1 A 53 53 ARG HA H 53 3.740 3.946 -0.206 1
1 652 . 15 1 1 A 53 53 ARG C C 53 177.698 178.400 -0.702 1
1 653 . 15 1 1 A 53 53 ARG CA C 53 58.635 58.905 -0.270 1
1 654 . 15 1 1 A 53 53 ARG CB C 53 30.257 30.005 0.252 1
1 658 . 15 1 1 A 53 53 ARG N N 53 116.853 119.243 -2.390 1
1 660 . 15 1 1 A 54 54 GLU H H 54 7.747 8.308 -0.561 1
1 661 . 15 1 1 A 54 54 GLU HA H 54 3.978 3.997 -0.019 1
1 666 . 15 1 1 A 54 54 GLU C C 54 178.915 178.340 0.575 1
1 667 . 15 1 1 A 54 54 GLU CA C 54 59.312 59.783 -0.471 1
1 668 . 15 1 1 A 54 54 GLU CB C 54 29.678 29.170 0.508 1
1 670 . 15 1 1 A 54 54 GLU N N 54 118.040 118.964 -0.924 1
1 671 . 15 1 1 A 55 55 ALA H H 55 7.932 7.454 0.478 1
1 672 . 15 1 1 A 55 55 ALA HA H 55 3.694 4.073 -0.379 1
1 676 . 15 1 1 A 55 55 ALA C C 55 178.383 180.123 -1.740 1
1 677 . 15 1 1 A 55 55 ALA CA C 55 55.871 55.279 0.592 1
1 678 . 15 1 1 A 55 55 ALA CB C 55 17.664 18.677 -1.013 1
1 679 . 15 1 1 A 55 55 ALA N N 55 122.121 122.069 0.052 1
1 680 . 15 1 1 A 56 56 LEU H H 56 8.110 8.457 -0.347 1
1 681 . 15 1 1 A 56 56 LEU HA H 56 3.605 3.835 -0.230 1
1 691 . 15 1 1 A 56 56 LEU C C 56 180.273 179.007 1.266 1
1 692 . 15 1 1 A 56 56 LEU CA C 56 58.167 57.988 0.179 1
1 693 . 15 1 1 A 56 56 LEU CB C 56 39.563 41.267 -1.704 1
1 697 . 15 1 1 A 56 56 LEU N N 56 114.908 118.278 -3.370 1
1 698 . 15 1 1 A 57 57 ASP H H 57 8.080 8.267 -0.187 1
1 699 . 15 1 1 A 57 57 ASP HA H 57 4.353 4.316 0.037 1
1 702 . 15 1 1 A 57 57 ASP C C 57 179.121 178.876 0.245 1
1 703 . 15 1 1 A 57 57 ASP CA C 57 56.644 57.209 -0.565 1
1 704 . 15 1 1 A 57 57 ASP CB C 57 40.909 40.749 0.160 1
1 705 . 15 1 1 A 57 57 ASP N N 57 117.019 120.083 -3.064 1
1 706 . 15 1 1 A 58 58 ARG H H 58 8.584 8.050 0.534 1
1 707 . 15 1 1 A 58 58 ARG HA H 58 3.728 4.004 -0.276 1
1 715 . 15 1 1 A 58 58 ARG C C 58 177.362 176.752 0.610 1
1 716 . 15 1 1 A 58 58 ARG CA C 58 59.141 58.520 0.621 1
1 717 . 15 1 1 A 58 58 ARG CB C 58 30.462 30.239 0.223 1
1 720 . 15 1 1 A 58 58 ARG N N 58 119.926 117.747 2.179 1
1 722 . 15 1 1 A 59 59 TYR H H 59 7.133 7.626 -0.493 1
1 723 . 15 1 1 A 59 59 TYR HA H 59 5.018 4.737 0.281 1
1 730 . 15 1 1 A 59 59 TYR C C 59 173.865 175.168 -1.303 1
1 731 . 15 1 1 A 59 59 TYR CA C 59 57.348 57.867 -0.519 1
1 732 . 15 1 1 A 59 59 TYR CB C 59 38.052 39.331 -1.279 1
1 737 . 15 1 1 A 59 59 TYR N N 59 111.796 118.598 -6.802 1
1 738 . 15 1 1 A 60 60 SER H H 60 7.542 7.933 -0.391 1
1 739 . 15 1 1 A 60 60 SER HA H 60 4.082 4.107 -0.025 1
1 742 . 15 1 1 A 60 60 SER C C 60 176.402 173.154 3.248 1
1 743 . 15 1 1 A 60 60 SER CA C 60 58.482 59.244 -0.762 1
1 744 . 15 1 1 A 60 60 SER CB C 60 61.229 61.708 -0.479 1
1 745 . 15 1 1 A 60 60 SER N N 60 114.624 115.153 -0.529 1
1 746 . 15 1 1 A 61 61 LEU H H 61 8.228 8.094 0.134 1
1 747 . 15 1 1 A 61 61 LEU HA H 61 4.583 4.674 -0.091 1
1 757 . 15 1 1 A 61 61 LEU C C 61 176.463 176.301 0.162 1
1 758 . 15 1 1 A 61 61 LEU CA C 61 52.478 53.865 -1.387 1
1 759 . 15 1 1 A 61 61 LEU CB C 61 45.873 43.030 2.843 1
1 763 . 15 1 1 A 61 61 LEU N N 61 119.424 121.828 -2.404 1
1 764 . 15 1 1 A 62 62 SER H H 62 8.376 8.758 -0.382 1
1 765 . 15 1 1 A 62 62 SER HA H 62 4.555 4.712 -0.157 1
1 768 . 15 1 1 A 62 62 SER C C 62 175.088 175.238 -0.150 1
1 769 . 15 1 1 A 62 62 SER CA C 62 56.123 57.061 -0.938 1
1 770 . 15 1 1 A 62 62 SER CB C 62 65.560 65.917 -0.357 1
1 771 . 15 1 1 A 62 62 SER N N 62 115.890 116.870 -0.980 1
1 772 . 15 1 1 A 63 63 GLU H H 63 9.204 9.082 0.122 1
1 773 . 15 1 1 A 63 63 GLU HA H 63 3.806 3.906 -0.100 1
1 778 . 15 1 1 A 63 63 GLU C C 63 179.412 177.993 1.419 1
1 779 . 15 1 1 A 63 63 GLU CA C 63 60.338 59.535 0.803 1
1 780 . 15 1 1 A 63 63 GLU CB C 63 29.354 29.542 -0.188 1
1 782 . 15 1 1 A 63 63 GLU N N 63 122.263 124.084 -1.821 1
1 783 . 15 1 1 A 64 64 GLU H H 64 8.859 8.448 0.411 1
1 784 . 15 1 1 A 64 64 GLU HA H 64 3.969 4.044 -0.075 1
1 789 . 15 1 1 A 64 64 GLU C C 64 178.700 178.765 -0.065 1
1 790 . 15 1 1 A 64 64 GLU CA C 64 59.822 59.342 0.480 1
1 791 . 15 1 1 A 64 64 GLU CB C 64 29.210 29.341 -0.131 1
1 793 . 15 1 1 A 64 64 GLU N N 64 119.056 117.253 1.803 1
1 794 . 15 1 1 A 65 65 GLU H H 65 7.864 7.768 0.096 1
1 795 . 15 1 1 A 65 65 GLU HA H 65 3.960 3.968 -0.008 1
1 800 . 15 1 1 A 65 65 GLU C C 65 177.783 178.471 -0.688 1
1 801 . 15 1 1 A 65 65 GLU CA C 65 58.817 59.303 -0.486 1
1 802 . 15 1 1 A 65 65 GLU CB C 65 29.452 29.361 0.091 1
1 804 . 15 1 1 A 65 65 GLU N N 65 121.783 119.953 1.830 1
1 805 . 15 1 1 A 66 66 PHE H H 66 7.918 7.680 0.238 1
1 806 . 15 1 1 A 66 66 PHE HA H 66 3.294 3.337 -0.043 1
1 814 . 15 1 1 A 66 66 PHE C C 66 177.021 177.521 -0.500 1
1 815 . 15 1 1 A 66 66 PHE CA C 66 61.197 61.284 -0.087 1
1 816 . 15 1 1 A 66 66 PHE CB C 66 39.279 38.847 0.432 1
1 820 . 15 1 1 A 66 66 PHE N N 66 117.902 120.209 -2.307 1
1 821 . 15 1 1 A 67 67 ALA H H 67 8.011 8.637 -0.626 1
1 822 . 15 1 1 A 67 67 ALA HA H 67 3.839 4.044 -0.205 1
1 826 . 15 1 1 A 67 67 ALA C C 67 181.069 180.028 1.041 1
1 827 . 15 1 1 A 67 67 ALA CA C 67 55.296 55.219 0.077 1
1 828 . 15 1 1 A 67 67 ALA CB C 67 17.648 18.242 -0.594 1
1 829 . 15 1 1 A 67 67 ALA N N 67 119.951 121.181 -1.230 1
1 830 . 15 1 1 A 68 68 LEU H H 68 7.431 7.856 -0.425 1
1 831 . 15 1 1 A 68 68 LEU HA H 68 4.162 3.992 0.170 1
1 841 . 15 1 1 A 68 68 LEU C C 68 180.631 179.414 1.217 1
1 842 . 15 1 1 A 68 68 LEU CA C 68 57.621 57.955 -0.334 1
1 843 . 15 1 1 A 68 68 LEU CB C 68 41.083 42.167 -1.084 1
1 847 . 15 1 1 A 68 68 LEU N N 68 119.888 118.573 1.315 1
1 848 . 15 1 1 A 69 69 TRP H H 69 8.288 8.112 0.176 1
1 849 . 15 1 1 A 69 69 TRP HA H 69 4.341 4.203 0.138 1
1 858 . 15 1 1 A 69 69 TRP C C 69 179.178 179.249 -0.071 1
1 859 . 15 1 1 A 69 69 TRP CA C 69 59.228 60.276 -1.048 1
1 860 . 15 1 1 A 69 69 TRP CB C 69 28.387 28.801 -0.414 1
1 866 . 15 1 1 A 69 69 TRP N N 69 122.616 118.779 3.837 1
1 868 . 15 1 1 A 70 70 ARG H H 70 8.291 7.941 0.350 1
1 869 . 15 1 1 A 70 70 ARG HA H 70 3.743 4.017 -0.274 1
1 877 . 15 1 1 A 70 70 ARG C C 70 178.811 178.426 0.385 1
1 878 . 15 1 1 A 70 70 ARG CA C 70 59.614 58.826 0.788 1
1 879 . 15 1 1 A 70 70 ARG CB C 70 30.171 29.742 0.429 1
1 882 . 15 1 1 A 70 70 ARG N N 70 117.864 118.481 -0.617 1
1 884 . 15 1 1 A 71 71 SER H H 71 8.000 7.929 0.071 1
1 885 . 15 1 1 A 71 71 SER HA H 71 4.212 4.209 0.003 1
1 888 . 15 1 1 A 71 71 SER C C 71 176.074 176.190 -0.116 1
1 889 . 15 1 1 A 71 71 SER CA C 71 61.074 61.713 -0.639 1
1 890 . 15 1 1 A 71 71 SER CB C 71 62.891 62.904 -0.013 1
1 891 . 15 1 1 A 71 71 SER N N 71 114.582 117.212 -2.630 1
1 892 . 15 1 1 A 72 72 ALA H H 72 7.816 7.740 0.076 1
1 893 . 15 1 1 A 72 72 ALA HA H 72 4.230 4.311 -0.081 1
1 897 . 15 1 1 A 72 72 ALA C C 72 179.631 180.304 -0.673 1
1 898 . 15 1 1 A 72 72 ALA CA C 72 54.245 54.479 -0.234 1
1 899 . 15 1 1 A 72 72 ALA CB C 72 18.687 18.989 -0.302 1
1 900 . 15 1 1 A 72 72 ALA N N 72 124.141 123.023 1.118 1
1 901 . 15 1 1 A 73 73 VAL H H 73 7.728 8.351 -0.623 1
1 902 . 15 1 1 A 73 73 VAL HA H 73 3.850 3.534 0.316 1
1 910 . 15 1 1 A 73 73 VAL C C 73 177.286 178.006 -0.720 1
1 911 . 15 1 1 A 73 73 VAL CA C 73 64.163 66.353 -2.190 1
1 912 . 15 1 1 A 73 73 VAL CB C 73 32.466 31.548 0.918 1
1 915 . 15 1 1 A 73 73 VAL N N 73 117.289 118.604 -1.315 1
1 916 . 15 1 1 A 74 74 ALA H H 74 7.960 8.112 -0.152 1
1 917 . 15 1 1 A 74 74 ALA HA H 74 4.195 4.009 0.186 1
1 921 . 15 1 1 A 74 74 ALA C C 74 178.318 179.629 -1.311 1
1 922 . 15 1 1 A 74 74 ALA CA C 74 53.559 55.266 -1.707 1
1 923 . 15 1 1 A 74 74 ALA CB C 74 18.612 18.369 0.243 1
1 924 . 15 1 1 A 74 74 ALA N N 74 123.977 122.205 1.772 1
1 925 . 15 1 1 A 75 75 ALA H H 75 7.889 7.644 0.245 1
1 926 . 15 1 1 A 75 75 ALA HA H 75 4.214 4.444 -0.230 1
1 930 . 15 1 1 A 75 75 ALA C C 75 178.233 177.781 0.452 1
1 931 . 15 1 1 A 75 75 ALA CA C 75 53.242 52.296 0.946 1
1 932 . 15 1 1 A 75 75 ALA CB C 75 18.812 18.871 -0.059 1
1 933 . 15 1 1 A 75 75 ALA N N 75 120.956 118.588 2.368 1
1 934 . 15 1 1 A 76 76 HIS H H 76 8.057 7.872 0.185 1
1 935 . 15 1 1 A 76 76 HIS HA H 76 4.585 4.318 0.267 1
1 939 . 15 1 1 A 76 76 HIS C C 76 176.217 176.273 -0.056 1
1 940 . 15 1 1 A 76 76 HIS CA C 76 56.644 57.148 -0.504 1
1 941 . 15 1 1 A 76 76 HIS CB C 76 30.282 29.669 0.613 1
1 943 . 15 1 1 A 76 76 HIS N N 76 117.302 119.919 -2.617 1
1 944 . 15 1 1 A 77 77 GLY H H 77 8.229 8.981 -0.752 1
1 945 . 15 1 1 A 77 77 GLY HA2 H 77 3.951 3.813 0.138 1
1 946 . 15 1 1 A 77 77 GLY HA3 H 77 3.951 3.827 0.124 1
1 947 . 15 1 1 A 77 77 GLY C C 77 174.415 175.460 -1.045 1
1 948 . 15 1 1 A 77 77 GLY CA C 77 45.560 46.288 -0.728 1
1 949 . 15 1 1 A 77 77 GLY N N 77 109.118 115.237 -6.119 1
1 950 . 15 1 1 A 78 78 GLU H H 78 8.335 7.743 0.592 1
1 951 . 15 1 1 A 78 78 GLU HA H 78 4.210 4.816 -0.606 1
1 956 . 15 1 1 A 78 78 GLU C C 78 177.052 177.129 -0.077 1
1 957 . 15 1 1 A 78 78 GLU CA C 78 56.836 58.658 -1.822 1
1 958 . 15 1 1 A 78 78 GLU CB C 78 30.136 28.377 1.759 1
1 960 . 15 1 1 A 78 78 GLU N N 78 120.947 120.704 0.243 1
1 961 . 15 1 1 A 79 79 LYS H H 79 8.299 8.184 0.115 1
1 962 . 15 1 1 A 79 79 LYS HA H 79 4.205 4.251 -0.046 1
1 971 . 15 1 1 A 79 79 LYS C C 79 176.656 176.201 0.455 1
1 972 . 15 1 1 A 79 79 LYS CA C 79 57.057 57.861 -0.804 1
1 973 . 15 1 1 A 79 79 LYS CB C 79 32.811 31.765 1.046 1
1 977 . 15 1 1 A 79 79 LYS N N 79 121.638 117.234 4.404 1
1 978 . 15 1 1 A 80 80 ALA H H 80 8.142 7.550 0.592 1
1 979 . 15 1 1 A 80 80 ALA HA H 80 4.245 4.584 -0.339 1
1 983 . 15 1 1 A 80 80 ALA C C 80 177.868 175.679 2.189 1
1 984 . 15 1 1 A 80 80 ALA CA C 80 52.706 50.867 1.839 1
1 985 . 15 1 1 A 80 80 ALA CB C 80 19.117 19.624 -0.507 1
1 986 . 15 1 1 A 80 80 ALA N N 80 123.770 123.451 0.319 1
1 987 . 15 1 1 A 81 81 LEU H H 81 8.040 8.979 -0.939 1
1 988 . 15 1 1 A 81 81 LEU HA H 81 4.245 5.003 -0.758 1
1 998 . 15 1 1 A 81 81 LEU C C 81 177.434 175.610 1.824 1
1 999 . 15 1 1 A 81 81 LEU CA C 81 55.673 54.283 1.390 1
1 1000 . 15 1 1 A 81 81 LEU CB C 81 42.160 41.495 0.665 1
1 1004 . 15 1 1 A 81 81 LEU N N 81 120.893 124.694 -3.801 1
1 1005 . 15 1 1 A 82 82 LYS H H 82 8.178 8.182 -0.004 1
1 1006 . 15 1 1 A 82 82 LYS HA H 82 4.283 4.485 -0.202 1
1 1015 . 15 1 1 A 82 82 LYS C C 82 176.810 177.462 -0.652 1
1 1016 . 15 1 1 A 82 82 LYS CA C 82 56.715 55.576 1.139 1
1 1017 . 15 1 1 A 82 82 LYS CB C 82 32.846 34.014 -1.168 1
1 1021 . 15 1 1 A 82 82 LYS N N 82 121.957 125.654 -3.697 1
1 1022 . 15 1 1 A 83 83 VAL H H 83 8.123 8.582 -0.459 1
1 1023 . 15 1 1 A 83 83 VAL HA H 83 4.093 3.818 0.275 1
1 1031 . 15 1 1 A 83 83 VAL C C 83 176.604 177.628 -1.024 1
1 1032 . 15 1 1 A 83 83 VAL CA C 83 62.964 65.578 -2.614 1
1 1033 . 15 1 1 A 83 83 VAL CB C 83 32.742 31.766 0.976 1
1 1036 . 15 1 1 A 83 83 VAL N N 83 121.150 126.483 -5.333 1
1 1037 . 15 1 1 A 84 84 THR H H 84 8.162 7.868 0.294 1
1 1038 . 15 1 1 A 84 84 THR HA H 84 4.276 4.269 0.007 1
1 1043 . 15 1 1 A 84 84 THR C C 84 174.773 175.888 -1.115 1
1 1044 . 15 1 1 A 84 84 THR CA C 84 62.558 64.968 -2.410 1
1 1045 . 15 1 1 A 84 84 THR CB C 84 69.726 68.560 1.166 1
1 1047 . 15 1 1 A 84 84 THR N N 84 117.587 116.599 0.988 1
1 1048 . 15 1 1 A 85 85 MET H H 85 8.353 8.104 0.249 1
1 1049 . 15 1 1 A 85 85 MET HA H 85 4.448 4.188 0.260 1
1 1054 . 15 1 1 A 85 85 MET C C 85 176.518 178.103 -1.585 1
1 1055 . 15 1 1 A 85 85 MET CA C 85 56.074 57.758 -1.684 1
1 1056 . 15 1 1 A 85 85 MET CB C 85 32.837 32.272 0.565 1
1 1058 . 15 1 1 A 85 85 MET N N 85 122.707 120.210 2.497 1
1 1059 . 15 1 1 A 86 86 ILE H H 86 8.113 7.539 0.574 1
1 1060 . 15 1 1 A 86 86 ILE HA H 86 4.061 3.936 0.125 1
1 1070 . 15 1 1 A 86 86 ILE C C 86 176.712 178.292 -1.580 1
1 1071 . 15 1 1 A 86 86 ILE CA C 86 62.006 65.181 -3.175 1
1 1072 . 15 1 1 A 86 86 ILE CB C 86 38.402 37.125 1.277 1
1 1076 . 15 1 1 A 86 86 ILE N N 86 121.834 119.270 2.564 1
1 1077 . 15 1 1 A 87 87 GLN H H 87 8.328 7.910 0.418 1
1 1078 . 15 1 1 A 87 87 GLN HA H 87 4.190 3.982 0.208 1
1 1085 . 15 1 1 A 87 87 GLN C C 87 176.617 178.316 -1.699 1
1 1086 . 15 1 1 A 87 87 GLN CA C 87 56.798 59.322 -2.524 1
1 1087 . 15 1 1 A 87 87 GLN CB C 87 29.044 28.249 0.795 1
1 1089 . 15 1 1 A 87 87 GLN N N 87 123.529 121.768 1.761 1
1 1091 . 15 1 1 A 88 88 LYS H H 88 8.232 7.790 0.442 1
1 1092 . 15 1 1 A 88 88 LYS HA H 88 4.133 4.040 0.093 1
1 1101 . 15 1 1 A 88 88 LYS C C 88 176.983 177.532 -0.549 1
1 1102 . 15 1 1 A 88 88 LYS CA C 88 57.289 58.192 -0.903 1
1 1103 . 15 1 1 A 88 88 LYS CB C 88 32.806 30.962 1.844 1
1 1107 . 15 1 1 A 88 88 LYS N N 88 121.677 118.029 3.648 1
1 1108 . 15 1 1 A 89 89 TYR H H 89 8.086 7.238 0.848 1
1 1109 . 15 1 1 A 89 89 TYR HA H 89 4.492 4.504 -0.012 1
1 1116 . 15 1 1 A 89 89 TYR C C 89 176.250 177.606 -1.356 1
1 1117 . 15 1 1 A 89 89 TYR CA C 89 58.546 59.880 -1.334 1
1 1118 . 15 1 1 A 89 89 TYR CB C 89 38.410 39.816 -1.406 1
1 1123 . 15 1 1 A 89 89 TYR N N 89 119.993 118.508 1.485 1
1 1124 . 15 1 1 A 90 90 ARG H H 90 8.127 8.025 0.102 1
1 1125 . 15 1 1 A 90 90 ARG HA H 90 4.119 4.290 -0.171 1
1 1132 . 15 1 1 A 90 90 ARG C C 90 176.628 177.911 -1.283 1
1 1133 . 15 1 1 A 90 90 ARG CA C 90 57.085 58.251 -1.166 1
1 1134 . 15 1 1 A 90 90 ARG CB C 90 30.568 30.544 0.024 1
1 1137 . 15 1 1 A 90 90 ARG N N 90 121.679 119.382 2.297 1
1 1138 . 15 1 1 A 91 91 GLN H H 91 8.232 8.109 0.123 1
1 1139 . 15 1 1 A 91 91 GLN HA H 91 4.179 4.258 -0.079 1
1 1146 . 15 1 1 A 91 91 GLN C C 91 176.491 175.654 0.837 1
1 1147 . 15 1 1 A 91 91 GLN CA C 91 56.800 57.565 -0.765 1
1 1148 . 15 1 1 A 91 91 GLN CB C 91 29.129 28.714 0.415 1
1 1150 . 15 1 1 A 91 91 GLN N N 91 120.420 118.743 1.677 1
1 1152 . 15 1 1 A 92 92 LEU H H 92 8.118 7.368 0.750 1
1 1153 . 15 1 1 A 92 92 LEU HA H 92 4.269 4.107 0.162 1
1 1162 . 15 1 1 A 92 92 LEU C C 92 177.632 175.470 2.162 1
1 1163 . 15 1 1 A 92 92 LEU CA C 92 55.419 55.281 0.138 1
1 1164 . 15 1 1 A 92 92 LEU CB C 92 42.238 42.618 -0.380 1
1 1167 . 15 1 1 A 92 92 LEU N N 92 122.670 120.856 1.814 1
1 1168 . 15 1 1 A 93 93 HIS H H 93 8.049 8.109 -0.060 1
1 1169 . 15 1 1 A 93 93 HIS HA H 93 4.228 5.375 -1.147 1
1 1172 . 15 1 1 A 93 93 HIS C C 93 177.608 174.001 3.607 1
1 1173 . 15 1 1 A 93 93 HIS CA C 93 55.512 54.246 1.266 1
1 1174 . 15 1 1 A 93 93 HIS CB C 93 42.238 31.520 10.718 1
1 1175 . 15 1 1 A 93 93 HIS N N 93 121.742 124.471 -2.729 1
1 1176 . 15 1 1 A 94 94 HIS H H 94 8.153 9.098 -0.945 1
1 1177 . 15 1 1 A 94 94 HIS HA H 94 4.141 4.810 -0.669 1
1 1180 . 15 1 1 A 94 94 HIS CA C 94 56.804 56.822 -0.018 1
1 1181 . 15 1 1 A 94 94 HIS CB C 94 30.254 31.116 -0.862 1
1 1182 . 15 1 1 A 94 94 HIS N N 94 120.504 123.448 -2.944 1
1 1 . 16 1 1 A 2 2 TYR HA H 2 4.593 4.870 -0.277 1
1 8 . 16 1 1 A 2 2 TYR C C 2 174.805 175.318 -0.513 1
1 9 . 16 1 1 A 2 2 TYR CA C 2 57.884 57.606 0.278 1
1 10 . 16 1 1 A 2 2 TYR CB C 2 38.790 39.575 -0.785 1
1 15 . 16 1 1 A 3 3 LEU H H 3 8.189 8.924 -0.735 1
1 16 . 16 1 1 A 3 3 LEU HA H 3 4.268 4.525 -0.257 1
1 25 . 16 1 1 A 3 3 LEU C C 3 176.110 176.649 -0.539 1
1 26 . 16 1 1 A 3 3 LEU CA C 3 54.574 53.972 0.602 1
1 27 . 16 1 1 A 3 3 LEU CB C 3 42.796 39.760 3.036 1
1 30 . 16 1 1 A 3 3 LEU N N 3 126.201 126.789 -0.588 1
1 31 . 16 1 1 A 4 4 LYS H H 4 8.132 8.093 0.039 1
1 32 . 16 1 1 A 4 4 LYS HA H 4 4.336 4.161 0.175 1
1 35 . 16 1 1 A 4 4 LYS C C 4 175.828 176.697 -0.869 1
1 36 . 16 1 1 A 4 4 LYS CA C 4 56.186 58.926 -2.740 1
1 37 . 16 1 1 A 4 4 LYS CB C 4 33.084 32.708 0.376 1
1 38 . 16 1 1 A 4 4 LYS N N 4 123.332 121.525 1.807 1
1 39 . 16 1 1 A 5 5 ARG H H 5 8.537 7.590 0.947 1
1 40 . 16 1 1 A 5 5 ARG HA H 5 4.327 4.483 -0.156 1
1 47 . 16 1 1 A 5 5 ARG C C 5 176.158 175.073 1.085 1
1 48 . 16 1 1 A 5 5 ARG CA C 5 56.076 55.203 0.873 1
1 49 . 16 1 1 A 5 5 ARG CB C 5 31.028 29.752 1.276 1
1 52 . 16 1 1 A 5 5 ARG N N 5 124.828 119.282 5.546 1
1 53 . 16 1 1 A 6 6 VAL H H 6 8.344 8.178 0.166 1
1 54 . 16 1 1 A 6 6 VAL HA H 6 4.154 4.297 -0.143 1
1 62 . 16 1 1 A 6 6 VAL C C 6 175.662 174.807 0.855 1
1 63 . 16 1 1 A 6 6 VAL CA C 6 61.973 62.604 -0.631 1
1 64 . 16 1 1 A 6 6 VAL CB C 6 32.937 30.483 2.454 1
1 66 . 16 1 1 A 6 6 VAL N N 6 122.153 125.708 -3.555 1
1 67 . 16 1 1 A 7 7 ASP H H 7 8.469 8.681 -0.212 1
1 68 . 16 1 1 A 7 7 ASP HA H 7 4.681 5.144 -0.463 1
1 71 . 16 1 1 A 7 7 ASP C C 7 176.217 175.438 0.779 1
1 72 . 16 1 1 A 7 7 ASP CA C 7 54.202 52.474 1.728 1
1 73 . 16 1 1 A 7 7 ASP CB C 7 41.583 42.627 -1.044 1
1 74 . 16 1 1 A 7 7 ASP N N 7 124.555 128.004 -3.449 1
1 75 . 16 1 1 A 8 8 GLY H H 8 8.185 8.146 0.039 1
1 76 . 16 1 1 A 8 8 GLY HA2 H 8 4.184 4.184 0.000 1
1 77 . 16 1 1 A 8 8 GLY HA3 H 8 4.070 4.186 -0.116 1
1 78 . 16 1 1 A 8 8 GLY C C 8 171.436 172.798 -1.362 1
1 79 . 16 1 1 A 8 8 GLY CA C 8 44.634 45.311 -0.677 1
1 80 . 16 1 1 A 8 8 GLY N N 8 109.085 109.319 -0.234 1
1 81 . 16 1 1 A 9 9 PRO HA H 9 4.510 4.775 -0.265 1
1 88 . 16 1 1 A 9 9 PRO C C 9 176.784 177.001 -0.217 1
1 89 . 16 1 1 A 9 9 PRO CA C 9 62.869 62.501 0.368 1
1 90 . 16 1 1 A 9 9 PRO CB C 9 32.364 30.301 2.063 1
1 93 . 16 1 1 A 10 10 ARG H H 10 8.761 8.573 0.188 1
1 94 . 16 1 1 A 10 10 ARG HA H 10 4.165 4.294 -0.129 1
1 99 . 16 1 1 A 10 10 ARG C C 10 175.911 176.219 -0.308 1
1 100 . 16 1 1 A 10 10 ARG CA C 10 57.463 57.418 0.045 1
1 101 . 16 1 1 A 10 10 ARG CB C 10 31.030 31.019 0.011 1
1 103 . 16 1 1 A 10 10 ARG N N 10 120.390 120.916 -0.526 1
1 104 . 16 1 1 A 11 11 GLN H H 11 7.790 7.888 -0.098 1
1 105 . 16 1 1 A 11 11 GLN HA H 11 5.173 5.118 0.055 1
1 112 . 16 1 1 A 11 11 GLN C C 11 173.893 174.132 -0.239 1
1 113 . 16 1 1 A 11 11 GLN CA C 11 54.402 54.349 0.053 1
1 114 . 16 1 1 A 11 11 GLN CB C 11 31.366 31.710 -0.344 1
1 116 . 16 1 1 A 11 11 GLN N N 11 114.694 115.580 -0.886 1
1 118 . 16 1 1 A 12 12 VAL H H 12 8.803 9.237 -0.434 1
1 119 . 16 1 1 A 12 12 VAL HA H 12 4.625 4.878 -0.253 1
1 127 . 16 1 1 A 12 12 VAL C C 12 173.796 174.235 -0.439 1
1 128 . 16 1 1 A 12 12 VAL CA C 12 60.127 59.414 0.713 1
1 129 . 16 1 1 A 12 12 VAL CB C 12 35.590 35.256 0.334 1
1 132 . 16 1 1 A 12 12 VAL N N 12 115.575 117.560 -1.985 1
1 133 . 16 1 1 A 13 13 THR H H 13 8.553 8.663 -0.110 1
1 134 . 16 1 1 A 13 13 THR HA H 13 4.772 4.681 0.091 1
1 139 . 16 1 1 A 13 13 THR C C 13 174.526 174.259 0.267 1
1 140 . 16 1 1 A 13 13 THR CA C 13 61.880 62.348 -0.468 1
1 141 . 16 1 1 A 13 13 THR CB C 13 69.319 69.539 -0.220 1
1 143 . 16 1 1 A 13 13 THR N N 13 119.282 119.220 0.062 1
1 144 . 16 1 1 A 14 14 LEU H H 14 9.254 8.955 0.299 1
1 145 . 16 1 1 A 14 14 LEU HA H 14 4.210 4.129 0.081 1
1 155 . 16 1 1 A 14 14 LEU C C 14 177.361 176.789 0.572 1
1 156 . 16 1 1 A 14 14 LEU CA C 14 54.116 53.053 1.063 1
1 157 . 16 1 1 A 14 14 LEU CB C 14 39.546 41.572 -2.026 1
1 161 . 16 1 1 A 14 14 LEU N N 14 129.147 127.708 1.439 1
1 162 . 16 1 1 A 15 15 PRO HA H 15 4.294 4.555 -0.261 1
1 169 . 16 1 1 A 15 15 PRO C C 15 176.570 177.502 -0.932 1
1 170 . 16 1 1 A 15 15 PRO CA C 15 65.392 64.120 1.272 1
1 171 . 16 1 1 A 15 15 PRO CB C 15 31.808 31.827 -0.019 1
1 174 . 16 1 1 A 16 16 ASP H H 16 7.397 7.983 -0.586 1
1 175 . 16 1 1 A 16 16 ASP HA H 16 4.486 4.757 -0.271 1
1 178 . 16 1 1 A 16 16 ASP C C 16 177.056 176.548 0.508 1
1 179 . 16 1 1 A 16 16 ASP CA C 16 53.157 53.389 -0.232 1
1 180 . 16 1 1 A 16 16 ASP CB C 16 39.987 40.343 -0.356 1
1 181 . 16 1 1 A 16 16 ASP N N 16 113.036 115.497 -2.461 1
1 182 . 16 1 1 A 17 17 GLY H H 17 8.399 9.026 -0.627 1
1 183 . 16 1 1 A 17 17 GLY HA2 H 17 4.293 3.933 0.360 1
1 184 . 16 1 1 A 17 17 GLY HA3 H 17 3.481 3.941 -0.460 1
1 185 . 16 1 1 A 17 17 GLY C C 17 174.700 173.864 0.836 1
1 186 . 16 1 1 A 17 17 GLY CA C 17 44.998 46.592 -1.594 1
1 187 . 16 1 1 A 17 17 GLY N N 17 108.859 109.361 -0.502 1
1 188 . 16 1 1 A 18 18 THR H H 18 8.003 7.785 0.218 1
1 189 . 16 1 1 A 18 18 THR HA H 18 4.151 4.922 -0.771 1
1 194 . 16 1 1 A 18 18 THR C C 18 172.576 172.789 -0.213 1
1 195 . 16 1 1 A 18 18 THR CA C 18 63.144 61.012 2.132 1
1 196 . 16 1 1 A 18 18 THR CB C 18 69.888 73.213 -3.325 1
1 198 . 16 1 1 A 18 18 THR N N 18 116.015 113.371 2.644 1
1 199 . 16 1 1 A 19 19 VAL H H 19 8.384 8.643 -0.259 1
1 200 . 16 1 1 A 19 19 VAL HA H 19 4.726 4.650 0.076 1
1 208 . 16 1 1 A 19 19 VAL C C 19 175.823 173.983 1.840 1
1 209 . 16 1 1 A 19 19 VAL CA C 19 61.491 61.069 0.422 1
1 210 . 16 1 1 A 19 19 VAL CB C 19 33.757 33.580 0.177 1
1 213 . 16 1 1 A 19 19 VAL N N 19 121.723 123.094 -1.371 1
1 214 . 16 1 1 A 20 20 LEU H H 20 8.948 9.257 -0.309 1
1 215 . 16 1 1 A 20 20 LEU HA H 20 4.784 5.157 -0.373 1
1 225 . 16 1 1 A 20 20 LEU C C 20 174.749 176.040 -1.291 1
1 226 . 16 1 1 A 20 20 LEU CA C 20 53.616 53.428 0.188 1
1 227 . 16 1 1 A 20 20 LEU CB C 20 45.062 44.588 0.474 1
1 231 . 16 1 1 A 20 20 LEU N N 20 129.673 130.745 -1.072 1
1 232 . 16 1 1 A 21 21 SER H H 21 9.246 8.774 0.472 1
1 233 . 16 1 1 A 21 21 SER HA H 21 5.207 5.252 -0.045 1
1 236 . 16 1 1 A 21 21 SER C C 21 176.047 176.030 0.017 1
1 237 . 16 1 1 A 21 21 SER CA C 21 56.523 56.312 0.211 1
1 238 . 16 1 1 A 21 21 SER CB C 21 66.369 66.230 0.139 1
1 239 . 16 1 1 A 21 21 SER N N 21 120.387 118.938 1.449 1
1 240 . 16 1 1 A 22 22 ARG H H 22 8.847 9.251 -0.404 1
1 241 . 16 1 1 A 22 22 ARG HA H 22 3.868 4.103 -0.235 1
1 248 . 16 1 1 A 22 22 ARG C C 22 178.388 177.607 0.781 1
1 249 . 16 1 1 A 22 22 ARG CA C 22 60.207 59.829 0.378 1
1 250 . 16 1 1 A 22 22 ARG CB C 22 29.118 29.669 -0.551 1
1 253 . 16 1 1 A 22 22 ARG N N 22 122.878 121.581 1.297 1
1 254 . 16 1 1 A 23 23 ALA H H 23 8.243 7.746 0.497 1
1 255 . 16 1 1 A 23 23 ALA HA H 23 4.175 4.264 -0.089 1
1 259 . 16 1 1 A 23 23 ALA C C 23 177.763 177.753 0.010 1
1 260 . 16 1 1 A 23 23 ALA CA C 23 54.000 53.212 0.788 1
1 261 . 16 1 1 A 23 23 ALA CB C 23 18.461 18.942 -0.481 1
1 262 . 16 1 1 A 23 23 ALA N N 23 121.050 121.995 -0.945 1
1 263 . 16 1 1 A 24 24 ASP H H 24 7.597 7.958 -0.361 1
1 264 . 16 1 1 A 24 24 ASP HA H 24 4.632 4.730 -0.098 1
1 267 . 16 1 1 A 24 24 ASP C C 24 176.608 176.384 0.224 1
1 268 . 16 1 1 A 24 24 ASP CA C 24 54.726 54.533 0.193 1
1 269 . 16 1 1 A 24 24 ASP CB C 24 42.026 41.310 0.716 1
1 270 . 16 1 1 A 24 24 ASP N N 24 115.095 117.347 -2.252 1
1 271 . 16 1 1 A 25 25 LEU H H 25 7.311 7.370 -0.059 1
1 272 . 16 1 1 A 25 25 LEU HA H 25 4.402 4.490 -0.088 1
1 282 . 16 1 1 A 25 25 LEU C C 25 174.724 174.821 -0.097 1
1 283 . 16 1 1 A 25 25 LEU CA C 25 53.307 53.768 -0.461 1
1 284 . 16 1 1 A 25 25 LEU CB C 25 40.047 41.072 -1.025 1
1 288 . 16 1 1 A 25 25 LEU N N 25 119.781 122.651 -2.870 1
1 289 . 16 1 1 A 26 26 PRO HA H 26 4.745 4.666 0.079 1
1 296 . 16 1 1 A 26 26 PRO CA C 26 61.496 61.595 -0.099 1
1 297 . 16 1 1 A 26 26 PRO CB C 26 30.700 31.559 -0.859 1
1 300 . 16 1 1 A 27 27 PRO HA H 27 4.598 4.616 -0.018 1
1 307 . 16 1 1 A 27 27 PRO C C 27 178.036 176.957 1.079 1
1 308 . 16 1 1 A 27 27 PRO CA C 27 62.923 62.643 0.280 1
1 309 . 16 1 1 A 27 27 PRO CB C 27 32.758 32.496 0.262 1
1 312 . 16 1 1 A 28 28 LEU H H 28 8.880 8.528 0.352 1
1 313 . 16 1 1 A 28 28 LEU HA H 28 4.177 4.330 -0.153 1
1 323 . 16 1 1 A 28 28 LEU C C 28 176.873 177.926 -1.053 1
1 324 . 16 1 1 A 28 28 LEU CA C 28 57.833 57.029 0.804 1
1 325 . 16 1 1 A 28 28 LEU CB C 28 41.291 41.578 -0.287 1
1 329 . 16 1 1 A 28 28 LEU N N 28 122.643 122.295 0.348 1
1 330 . 16 1 1 A 29 29 ASP H H 29 8.203 7.764 0.439 1
1 331 . 16 1 1 A 29 29 ASP HA H 29 4.615 4.573 0.042 1
1 334 . 16 1 1 A 29 29 ASP C C 29 176.158 176.352 -0.194 1
1 335 . 16 1 1 A 29 29 ASP CA C 29 53.098 55.066 -1.968 1
1 336 . 16 1 1 A 29 29 ASP CB C 29 39.311 40.902 -1.591 1
1 337 . 16 1 1 A 29 29 ASP N N 29 115.741 118.220 -2.479 1
1 338 . 16 1 1 A 30 30 THR H H 30 7.516 7.435 0.081 1
1 339 . 16 1 1 A 30 30 THR HA H 30 3.599 4.183 -0.584 1
1 344 . 16 1 1 A 30 30 THR C C 30 174.366 173.661 0.705 1
1 345 . 16 1 1 A 30 30 THR CA C 30 65.815 61.888 3.927 1
1 346 . 16 1 1 A 30 30 THR CB C 30 69.989 67.090 2.899 1
1 348 . 16 1 1 A 30 30 THR N N 30 116.808 114.099 2.709 1
1 349 . 16 1 1 A 31 31 ARG H H 31 8.482 7.980 0.502 1
1 350 . 16 1 1 A 31 31 ARG HA H 31 4.583 4.398 0.185 1
1 358 . 16 1 1 A 31 31 ARG CA C 31 55.399 56.364 -0.965 1
1 359 . 16 1 1 A 31 31 ARG CB C 31 32.296 31.156 1.140 1
1 362 . 16 1 1 A 31 31 ARG N N 31 124.991 126.145 -1.154 1
1 364 . 16 1 1 A 32 32 ARG HA H 32 4.523 4.314 0.209 1
1 372 . 16 1 1 A 32 32 ARG C C 32 175.341 175.631 -0.290 1
1 373 . 16 1 1 A 32 32 ARG CA C 32 54.759 56.004 -1.245 1
1 374 . 16 1 1 A 32 32 ARG CB C 32 30.348 29.221 1.127 1
1 378 . 16 1 1 A 33 33 TRP H H 33 8.923 8.649 0.274 1
1 379 . 16 1 1 A 33 33 TRP HA H 33 4.292 4.818 -0.526 1
1 388 . 16 1 1 A 33 33 TRP C C 33 176.208 176.510 -0.302 1
1 389 . 16 1 1 A 33 33 TRP CA C 33 56.923 57.148 -0.225 1
1 390 . 16 1 1 A 33 33 TRP CB C 33 28.492 28.998 -0.506 1
1 396 . 16 1 1 A 33 33 TRP N N 33 128.804 124.494 4.310 1
1 398 . 16 1 1 A 34 34 VAL H H 34 6.953 8.440 -1.487 1
1 399 . 16 1 1 A 34 34 VAL HA H 34 4.451 4.533 -0.082 1
1 407 . 16 1 1 A 34 34 VAL C C 34 177.217 176.941 0.276 1
1 408 . 16 1 1 A 34 34 VAL CA C 34 60.180 60.489 -0.309 1
1 409 . 16 1 1 A 34 34 VAL CB C 34 32.686 34.524 -1.838 1
1 412 . 16 1 1 A 34 34 VAL N N 34 114.683 123.186 -8.503 1
1 413 . 16 1 1 A 35 35 ALA HA H 35 3.745 3.901 -0.156 1
1 417 . 16 1 1 A 35 35 ALA C C 35 180.114 179.774 0.340 1
1 418 . 16 1 1 A 35 35 ALA CA C 35 56.618 55.628 0.990 1
1 419 . 16 1 1 A 35 35 ALA CB C 35 18.334 18.021 0.313 1
1 420 . 16 1 1 A 36 36 SER H H 36 8.841 8.049 0.792 1
1 421 . 16 1 1 A 36 36 SER HA H 36 4.140 4.143 -0.003 1
1 424 . 16 1 1 A 36 36 SER C C 36 177.291 176.766 0.525 1
1 425 . 16 1 1 A 36 36 SER CA C 36 61.250 61.215 0.035 1
1 426 . 16 1 1 A 36 36 SER CB C 36 61.673 62.972 -1.299 1
1 427 . 16 1 1 A 36 36 SER N N 36 111.913 113.399 -1.486 1
1 428 . 16 1 1 A 37 37 ARG H H 37 7.183 7.778 -0.595 1
1 429 . 16 1 1 A 37 37 ARG HA H 37 4.349 4.183 0.166 1
1 436 . 16 1 1 A 37 37 ARG C C 37 177.816 178.737 -0.921 1
1 437 . 16 1 1 A 37 37 ARG CA C 37 58.944 58.922 0.022 1
1 438 . 16 1 1 A 37 37 ARG CB C 37 31.009 29.681 1.328 1
1 441 . 16 1 1 A 37 37 ARG N N 37 123.504 121.900 1.604 1
1 442 . 16 1 1 A 38 38 LYS H H 38 7.514 8.028 -0.514 1
1 443 . 16 1 1 A 38 38 LYS HA H 38 3.592 3.096 0.496 1
1 452 . 16 1 1 A 38 38 LYS C C 38 178.935 179.101 -0.166 1
1 453 . 16 1 1 A 38 38 LYS CA C 38 59.846 58.810 1.036 1
1 454 . 16 1 1 A 38 38 LYS CB C 38 33.310 31.315 1.995 1
1 458 . 16 1 1 A 38 38 LYS N N 38 118.200 119.395 -1.195 1
1 459 . 16 1 1 A 39 39 ALA H H 39 8.131 7.875 0.256 1
1 460 . 16 1 1 A 39 39 ALA HA H 39 3.865 4.044 -0.179 1
1 464 . 16 1 1 A 39 39 ALA C C 39 178.995 180.169 -1.174 1
1 465 . 16 1 1 A 39 39 ALA CA C 39 55.093 54.866 0.227 1
1 466 . 16 1 1 A 39 39 ALA CB C 39 18.124 17.978 0.146 1
1 467 . 16 1 1 A 39 39 ALA N N 39 117.547 122.115 -4.568 1
1 468 . 16 1 1 A 40 40 ALA H H 40 7.375 8.027 -0.652 1
1 469 . 16 1 1 A 40 40 ALA HA H 40 4.134 4.166 -0.032 1
1 473 . 16 1 1 A 40 40 ALA C C 40 179.512 180.078 -0.566 1
1 474 . 16 1 1 A 40 40 ALA CA C 40 55.506 55.287 0.219 1
1 475 . 16 1 1 A 40 40 ALA CB C 40 18.473 18.068 0.405 1
1 476 . 16 1 1 A 40 40 ALA N N 40 119.346 120.933 -1.587 1
1 477 . 16 1 1 A 41 41 VAL H H 41 7.382 7.776 -0.394 1
1 478 . 16 1 1 A 41 41 VAL HA H 41 3.642 3.763 -0.121 1
1 486 . 16 1 1 A 41 41 VAL C C 41 177.423 178.182 -0.759 1
1 487 . 16 1 1 A 41 41 VAL CA C 41 67.279 67.043 0.236 1
1 488 . 16 1 1 A 41 41 VAL CB C 41 32.149 31.829 0.320 1
1 491 . 16 1 1 A 41 41 VAL N N 41 116.434 118.847 -2.413 1
1 492 . 16 1 1 A 42 42 VAL H H 42 8.332 8.185 0.147 1
1 493 . 16 1 1 A 42 42 VAL HA H 42 3.723 3.953 -0.230 1
1 501 . 16 1 1 A 42 42 VAL C C 42 178.381 177.987 0.394 1
1 502 . 16 1 1 A 42 42 VAL CA C 42 67.698 65.317 2.381 1
1 503 . 16 1 1 A 42 42 VAL CB C 42 32.170 31.069 1.101 1
1 506 . 16 1 1 A 42 42 VAL N N 42 118.061 120.388 -2.327 1
1 507 . 16 1 1 A 43 43 LYS H H 43 8.973 7.981 0.992 1
1 508 . 16 1 1 A 43 43 LYS HA H 43 3.977 3.962 0.015 1
1 517 . 16 1 1 A 43 43 LYS C C 43 177.830 179.369 -1.539 1
1 518 . 16 1 1 A 43 43 LYS CA C 43 60.343 59.431 0.912 1
1 519 . 16 1 1 A 43 43 LYS CB C 43 32.863 32.248 0.615 1
1 523 . 16 1 1 A 43 43 LYS N N 43 118.026 122.826 -4.800 1
1 524 . 16 1 1 A 44 44 ALA H H 44 7.959 8.136 -0.177 1
1 525 . 16 1 1 A 44 44 ALA HA H 44 3.968 4.092 -0.124 1
1 529 . 16 1 1 A 44 44 ALA C C 44 178.921 179.979 -1.058 1
1 530 . 16 1 1 A 44 44 ALA CA C 44 55.324 55.300 0.024 1
1 531 . 16 1 1 A 44 44 ALA CB C 44 19.816 18.238 1.578 1
1 532 . 16 1 1 A 44 44 ALA N N 44 119.893 122.540 -2.647 1
1 533 . 16 1 1 A 45 45 VAL H H 45 7.789 7.854 -0.065 1
1 534 . 16 1 1 A 45 45 VAL HA H 45 4.494 3.757 0.737 1
1 542 . 16 1 1 A 45 45 VAL C C 45 180.590 178.343 2.247 1
1 543 . 16 1 1 A 45 45 VAL CA C 45 64.383 66.945 -2.562 1
1 544 . 16 1 1 A 45 45 VAL CB C 45 32.456 31.463 0.993 1
1 547 . 16 1 1 A 45 45 VAL N N 45 118.569 117.904 0.665 1
1 548 . 16 1 1 A 46 46 ILE H H 46 8.945 7.924 1.021 1
1 549 . 16 1 1 A 46 46 ILE HA H 46 3.689 4.338 -0.649 1
1 559 . 16 1 1 A 46 46 ILE C C 46 178.437 177.359 1.078 1
1 560 . 16 1 1 A 46 46 ILE CA C 46 65.391 63.882 1.509 1
1 561 . 16 1 1 A 46 46 ILE CB C 46 38.182 36.992 1.190 1
1 565 . 16 1 1 A 46 46 ILE N N 46 121.331 119.058 2.273 1
1 566 . 16 1 1 A 47 47 HIS H H 47 8.030 7.772 0.258 1
1 567 . 16 1 1 A 47 47 HIS HA H 47 4.663 4.609 0.054 1
1 572 . 16 1 1 A 47 47 HIS C C 47 175.308 175.347 -0.039 1
1 573 . 16 1 1 A 47 47 HIS CA C 47 56.736 55.923 0.813 1
1 574 . 16 1 1 A 47 47 HIS CB C 47 29.482 30.029 -0.547 1
1 577 . 16 1 1 A 47 47 HIS N N 47 113.700 117.665 -3.965 1
1 578 . 16 1 1 A 48 48 GLY H H 48 7.543 7.902 -0.359 1
1 579 . 16 1 1 A 48 48 GLY HA2 H 48 4.026 3.959 0.067 1
1 580 . 16 1 1 A 48 48 GLY HA3 H 48 3.904 3.966 -0.062 1
1 581 . 16 1 1 A 48 48 GLY C C 48 175.172 175.113 0.059 1
1 582 . 16 1 1 A 48 48 GLY CA C 48 46.740 46.422 0.318 1
1 583 . 16 1 1 A 48 48 GLY N N 48 106.113 107.857 -1.744 1
1 584 . 16 1 1 A 49 49 LEU H H 49 8.803 8.094 0.709 1
1 585 . 16 1 1 A 49 49 LEU HA H 49 4.090 4.202 -0.112 1
1 595 . 16 1 1 A 49 49 LEU C C 49 176.111 176.382 -0.271 1
1 596 . 16 1 1 A 49 49 LEU CA C 49 57.575 57.646 -0.071 1
1 597 . 16 1 1 A 49 49 LEU CB C 49 42.969 42.667 0.302 1
1 601 . 16 1 1 A 49 49 LEU N N 49 122.636 121.913 0.723 1
1 602 . 16 1 1 A 50 50 ILE H H 50 7.257 7.373 -0.116 1
1 603 . 16 1 1 A 50 50 ILE HA H 50 4.689 4.762 -0.073 1
1 613 . 16 1 1 A 50 50 ILE C C 50 174.994 174.152 0.842 1
1 614 . 16 1 1 A 50 50 ILE CA C 50 58.262 59.060 -0.798 1
1 615 . 16 1 1 A 50 50 ILE CB C 50 41.641 41.576 0.065 1
1 619 . 16 1 1 A 50 50 ILE N N 50 107.650 114.486 -6.836 1
1 620 . 16 1 1 A 51 51 THR H H 51 8.677 8.433 0.244 1
1 621 . 16 1 1 A 51 51 THR HA H 51 4.466 4.859 -0.393 1
1 627 . 16 1 1 A 51 51 THR C C 51 175.227 174.603 0.624 1
1 628 . 16 1 1 A 51 51 THR CA C 51 60.728 59.682 1.046 1
1 629 . 16 1 1 A 51 51 THR CB C 51 71.216 70.858 0.358 1
1 631 . 16 1 1 A 51 51 THR N N 51 111.798 115.865 -4.067 1
1 632 . 16 1 1 A 52 52 GLU H H 52 9.034 9.110 -0.076 1
1 633 . 16 1 1 A 52 52 GLU HA H 52 3.507 3.682 -0.175 1
1 638 . 16 1 1 A 52 52 GLU C C 52 177.287 177.665 -0.378 1
1 639 . 16 1 1 A 52 52 GLU CA C 52 60.515 59.830 0.685 1
1 640 . 16 1 1 A 52 52 GLU CB C 52 29.418 29.229 0.189 1
1 642 . 16 1 1 A 52 52 GLU N N 52 122.067 126.104 -4.037 1
1 643 . 16 1 1 A 53 53 ARG H H 53 8.213 7.562 0.651 1
1 644 . 16 1 1 A 53 53 ARG HA H 53 3.740 3.919 -0.179 1
1 652 . 16 1 1 A 53 53 ARG C C 53 177.698 178.435 -0.737 1
1 653 . 16 1 1 A 53 53 ARG CA C 53 58.635 59.195 -0.560 1
1 654 . 16 1 1 A 53 53 ARG CB C 53 30.257 29.682 0.575 1
1 658 . 16 1 1 A 53 53 ARG N N 53 116.853 119.873 -3.020 1
1 660 . 16 1 1 A 54 54 GLU H H 54 7.747 8.320 -0.573 1
1 661 . 16 1 1 A 54 54 GLU HA H 54 3.978 3.978 0.000 1
1 666 . 16 1 1 A 54 54 GLU C C 54 178.915 178.121 0.794 1
1 667 . 16 1 1 A 54 54 GLU CA C 54 59.312 59.840 -0.528 1
1 668 . 16 1 1 A 54 54 GLU CB C 54 29.678 29.072 0.606 1
1 670 . 16 1 1 A 54 54 GLU N N 54 118.040 119.311 -1.271 1
1 671 . 16 1 1 A 55 55 ALA H H 55 7.932 7.770 0.162 1
1 672 . 16 1 1 A 55 55 ALA HA H 55 3.694 4.141 -0.447 1
1 676 . 16 1 1 A 55 55 ALA C C 55 178.383 180.615 -2.232 1
1 677 . 16 1 1 A 55 55 ALA CA C 55 55.871 55.180 0.691 1
1 678 . 16 1 1 A 55 55 ALA CB C 55 17.664 17.869 -0.205 1
1 679 . 16 1 1 A 55 55 ALA N N 55 122.121 121.801 0.320 1
1 680 . 16 1 1 A 56 56 LEU H H 56 8.110 7.838 0.272 1
1 681 . 16 1 1 A 56 56 LEU HA H 56 3.605 3.939 -0.334 1
1 691 . 16 1 1 A 56 56 LEU C C 56 180.273 179.161 1.112 1
1 692 . 16 1 1 A 56 56 LEU CA C 56 58.167 57.672 0.495 1
1 693 . 16 1 1 A 56 56 LEU CB C 56 39.563 41.319 -1.756 1
1 697 . 16 1 1 A 56 56 LEU N N 56 114.908 118.610 -3.702 1
1 698 . 16 1 1 A 57 57 ASP H H 57 8.080 8.092 -0.012 1
1 699 . 16 1 1 A 57 57 ASP HA H 57 4.353 4.288 0.065 1
1 702 . 16 1 1 A 57 57 ASP C C 57 179.121 178.169 0.952 1
1 703 . 16 1 1 A 57 57 ASP CA C 57 56.644 57.408 -0.764 1
1 704 . 16 1 1 A 57 57 ASP CB C 57 40.909 41.177 -0.268 1
1 705 . 16 1 1 A 57 57 ASP N N 57 117.019 119.639 -2.620 1
1 706 . 16 1 1 A 58 58 ARG H H 58 8.584 8.704 -0.120 1
1 707 . 16 1 1 A 58 58 ARG HA H 58 3.728 3.982 -0.254 1
1 715 . 16 1 1 A 58 58 ARG C C 58 177.362 176.801 0.561 1
1 716 . 16 1 1 A 58 58 ARG CA C 58 59.141 58.802 0.339 1
1 717 . 16 1 1 A 58 58 ARG CB C 58 30.462 29.885 0.577 1
1 720 . 16 1 1 A 58 58 ARG N N 58 119.926 117.774 2.152 1
1 722 . 16 1 1 A 59 59 TYR H H 59 7.133 7.313 -0.180 1
1 723 . 16 1 1 A 59 59 TYR HA H 59 5.018 4.764 0.254 1
1 730 . 16 1 1 A 59 59 TYR C C 59 173.865 175.150 -1.285 1
1 731 . 16 1 1 A 59 59 TYR CA C 59 57.348 57.810 -0.462 1
1 732 . 16 1 1 A 59 59 TYR CB C 59 38.052 39.235 -1.183 1
1 737 . 16 1 1 A 59 59 TYR N N 59 111.796 118.794 -6.998 1
1 738 . 16 1 1 A 60 60 SER H H 60 7.542 8.156 -0.614 1
1 739 . 16 1 1 A 60 60 SER HA H 60 4.082 4.096 -0.014 1
1 742 . 16 1 1 A 60 60 SER C C 60 176.402 173.352 3.050 1
1 743 . 16 1 1 A 60 60 SER CA C 60 58.482 59.335 -0.853 1
1 744 . 16 1 1 A 60 60 SER CB C 60 61.229 61.880 -0.651 1
1 745 . 16 1 1 A 60 60 SER N N 60 114.624 114.717 -0.093 1
1 746 . 16 1 1 A 61 61 LEU H H 61 8.228 7.990 0.238 1
1 747 . 16 1 1 A 61 61 LEU HA H 61 4.583 4.509 0.074 1
1 757 . 16 1 1 A 61 61 LEU C C 61 176.463 175.362 1.101 1
1 758 . 16 1 1 A 61 61 LEU CA C 61 52.478 54.392 -1.914 1
1 759 . 16 1 1 A 61 61 LEU CB C 61 45.873 42.271 3.602 1
1 763 . 16 1 1 A 61 61 LEU N N 61 119.424 121.852 -2.428 1
1 764 . 16 1 1 A 62 62 SER H H 62 8.376 8.421 -0.045 1
1 765 . 16 1 1 A 62 62 SER HA H 62 4.555 4.829 -0.274 1
1 768 . 16 1 1 A 62 62 SER C C 62 175.088 174.855 0.233 1
1 769 . 16 1 1 A 62 62 SER CA C 62 56.123 57.162 -1.039 1
1 770 . 16 1 1 A 62 62 SER CB C 62 65.560 66.285 -0.725 1
1 771 . 16 1 1 A 62 62 SER N N 62 115.890 115.992 -0.102 1
1 772 . 16 1 1 A 63 63 GLU H H 63 9.204 8.930 0.274 1
1 773 . 16 1 1 A 63 63 GLU HA H 63 3.806 3.923 -0.117 1
1 778 . 16 1 1 A 63 63 GLU C C 63 179.412 177.895 1.517 1
1 779 . 16 1 1 A 63 63 GLU CA C 63 60.338 59.523 0.815 1
1 780 . 16 1 1 A 63 63 GLU CB C 63 29.354 29.400 -0.046 1
1 782 . 16 1 1 A 63 63 GLU N N 63 122.263 124.161 -1.898 1
1 783 . 16 1 1 A 64 64 GLU H H 64 8.859 8.575 0.284 1
1 784 . 16 1 1 A 64 64 GLU HA H 64 3.969 4.096 -0.127 1
1 789 . 16 1 1 A 64 64 GLU C C 64 178.700 178.906 -0.206 1
1 790 . 16 1 1 A 64 64 GLU CA C 64 59.822 59.572 0.250 1
1 791 . 16 1 1 A 64 64 GLU CB C 64 29.210 29.267 -0.057 1
1 793 . 16 1 1 A 64 64 GLU N N 64 119.056 117.154 1.902 1
1 794 . 16 1 1 A 65 65 GLU H H 65 7.864 7.958 -0.094 1
1 795 . 16 1 1 A 65 65 GLU HA H 65 3.960 4.042 -0.082 1
1 800 . 16 1 1 A 65 65 GLU C C 65 177.783 178.575 -0.792 1
1 801 . 16 1 1 A 65 65 GLU CA C 65 58.817 59.392 -0.575 1
1 802 . 16 1 1 A 65 65 GLU CB C 65 29.452 29.397 0.055 1
1 804 . 16 1 1 A 65 65 GLU N N 65 121.783 120.169 1.614 1
1 805 . 16 1 1 A 66 66 PHE H H 66 7.918 7.713 0.205 1
1 806 . 16 1 1 A 66 66 PHE HA H 66 3.294 3.280 0.014 1
1 814 . 16 1 1 A 66 66 PHE C C 66 177.021 177.662 -0.641 1
1 815 . 16 1 1 A 66 66 PHE CA C 66 61.197 61.094 0.103 1
1 816 . 16 1 1 A 66 66 PHE CB C 66 39.279 38.973 0.306 1
1 820 . 16 1 1 A 66 66 PHE N N 66 117.902 119.739 -1.837 1
1 821 . 16 1 1 A 67 67 ALA H H 67 8.011 8.233 -0.222 1
1 822 . 16 1 1 A 67 67 ALA HA H 67 3.839 4.064 -0.225 1
1 826 . 16 1 1 A 67 67 ALA C C 67 181.069 180.003 1.066 1
1 827 . 16 1 1 A 67 67 ALA CA C 67 55.296 55.220 0.076 1
1 828 . 16 1 1 A 67 67 ALA CB C 67 17.648 18.111 -0.463 1
1 829 . 16 1 1 A 67 67 ALA N N 67 119.951 121.268 -1.317 1
1 830 . 16 1 1 A 68 68 LEU H H 68 7.431 8.007 -0.576 1
1 831 . 16 1 1 A 68 68 LEU HA H 68 4.162 4.016 0.146 1
1 841 . 16 1 1 A 68 68 LEU C C 68 180.631 179.516 1.115 1
1 842 . 16 1 1 A 68 68 LEU CA C 68 57.621 57.958 -0.337 1
1 843 . 16 1 1 A 68 68 LEU CB C 68 41.083 42.211 -1.128 1
1 847 . 16 1 1 A 68 68 LEU N N 68 119.888 119.371 0.517 1
1 848 . 16 1 1 A 69 69 TRP H H 69 8.288 8.152 0.136 1
1 849 . 16 1 1 A 69 69 TRP HA H 69 4.341 4.204 0.137 1
1 858 . 16 1 1 A 69 69 TRP C C 69 179.178 179.378 -0.200 1
1 859 . 16 1 1 A 69 69 TRP CA C 69 59.228 60.358 -1.130 1
1 860 . 16 1 1 A 69 69 TRP CB C 69 28.387 28.795 -0.408 1
1 866 . 16 1 1 A 69 69 TRP N N 69 122.616 118.752 3.864 1
1 868 . 16 1 1 A 70 70 ARG H H 70 8.291 8.110 0.181 1
1 869 . 16 1 1 A 70 70 ARG HA H 70 3.743 4.012 -0.269 1
1 877 . 16 1 1 A 70 70 ARG C C 70 178.811 178.056 0.755 1
1 878 . 16 1 1 A 70 70 ARG CA C 70 59.614 58.355 1.259 1
1 879 . 16 1 1 A 70 70 ARG CB C 70 30.171 29.524 0.647 1
1 882 . 16 1 1 A 70 70 ARG N N 70 117.864 118.237 -0.373 1
1 884 . 16 1 1 A 71 71 SER H H 71 8.000 7.682 0.318 1
1 885 . 16 1 1 A 71 71 SER HA H 71 4.212 4.258 -0.046 1
1 888 . 16 1 1 A 71 71 SER C C 71 176.074 175.215 0.859 1
1 889 . 16 1 1 A 71 71 SER CA C 71 61.074 61.353 -0.279 1
1 890 . 16 1 1 A 71 71 SER CB C 71 62.891 63.389 -0.498 1
1 891 . 16 1 1 A 71 71 SER N N 71 114.582 117.257 -2.675 1
1 892 . 16 1 1 A 72 72 ALA H H 72 7.816 7.725 0.091 1
1 893 . 16 1 1 A 72 72 ALA HA H 72 4.230 4.115 0.115 1
1 897 . 16 1 1 A 72 72 ALA C C 72 179.631 177.903 1.728 1
1 898 . 16 1 1 A 72 72 ALA CA C 72 54.245 53.845 0.400 1
1 899 . 16 1 1 A 72 72 ALA CB C 72 18.687 18.304 0.383 1
1 900 . 16 1 1 A 72 72 ALA N N 72 124.141 123.120 1.021 1
1 901 . 16 1 1 A 73 73 VAL H H 73 7.728 7.213 0.515 1
1 902 . 16 1 1 A 73 73 VAL HA H 73 3.850 4.125 -0.275 1
1 910 . 16 1 1 A 73 73 VAL C C 73 177.286 177.485 -0.199 1
1 911 . 16 1 1 A 73 73 VAL CA C 73 64.163 64.108 0.055 1
1 912 . 16 1 1 A 73 73 VAL CB C 73 32.466 32.682 -0.216 1
1 915 . 16 1 1 A 73 73 VAL N N 73 117.289 116.294 0.995 1
1 916 . 16 1 1 A 74 74 ALA H H 74 7.960 8.074 -0.114 1
1 917 . 16 1 1 A 74 74 ALA HA H 74 4.195 4.010 0.185 1
1 921 . 16 1 1 A 74 74 ALA C C 74 178.318 179.663 -1.345 1
1 922 . 16 1 1 A 74 74 ALA CA C 74 53.559 55.195 -1.636 1
1 923 . 16 1 1 A 74 74 ALA CB C 74 18.612 18.127 0.485 1
1 924 . 16 1 1 A 74 74 ALA N N 74 123.977 122.265 1.712 1
1 925 . 16 1 1 A 75 75 ALA H H 75 7.889 7.946 -0.057 1
1 926 . 16 1 1 A 75 75 ALA HA H 75 4.214 4.457 -0.243 1
1 930 . 16 1 1 A 75 75 ALA C C 75 178.233 177.456 0.777 1
1 931 . 16 1 1 A 75 75 ALA CA C 75 53.242 52.685 0.557 1
1 932 . 16 1 1 A 75 75 ALA CB C 75 18.812 19.446 -0.634 1
1 933 . 16 1 1 A 75 75 ALA N N 75 120.956 119.152 1.804 1
1 934 . 16 1 1 A 76 76 HIS H H 76 8.057 7.753 0.304 1
1 935 . 16 1 1 A 76 76 HIS HA H 76 4.585 4.660 -0.075 1
1 939 . 16 1 1 A 76 76 HIS C C 76 176.217 175.278 0.939 1
1 940 . 16 1 1 A 76 76 HIS CA C 76 56.644 54.664 1.980 1
1 941 . 16 1 1 A 76 76 HIS CB C 76 30.282 28.508 1.774 1
1 943 . 16 1 1 A 76 76 HIS N N 76 117.302 119.272 -1.970 1
1 944 . 16 1 1 A 77 77 GLY H H 77 8.229 8.332 -0.103 1
1 945 . 16 1 1 A 77 77 GLY HA2 H 77 3.951 3.925 0.026 1
1 946 . 16 1 1 A 77 77 GLY HA3 H 77 3.951 4.045 -0.094 1
1 947 . 16 1 1 A 77 77 GLY C C 77 174.415 174.954 -0.539 1
1 948 . 16 1 1 A 77 77 GLY CA C 77 45.560 45.654 -0.094 1
1 949 . 16 1 1 A 77 77 GLY N N 77 109.118 113.574 -4.456 1
1 950 . 16 1 1 A 78 78 GLU H H 78 8.335 8.013 0.322 1
1 951 . 16 1 1 A 78 78 GLU HA H 78 4.210 4.073 0.137 1
1 956 . 16 1 1 A 78 78 GLU C C 78 177.052 176.524 0.528 1
1 957 . 16 1 1 A 78 78 GLU CA C 78 56.836 57.017 -0.181 1
1 958 . 16 1 1 A 78 78 GLU CB C 78 30.136 28.332 1.804 1
1 960 . 16 1 1 A 78 78 GLU N N 78 120.947 118.448 2.499 1
1 961 . 16 1 1 A 79 79 LYS H H 79 8.299 7.814 0.485 1
1 962 . 16 1 1 A 79 79 LYS HA H 79 4.205 4.284 -0.079 1
1 971 . 16 1 1 A 79 79 LYS C C 79 176.656 176.712 -0.056 1
1 972 . 16 1 1 A 79 79 LYS CA C 79 57.057 57.581 -0.524 1
1 973 . 16 1 1 A 79 79 LYS CB C 79 32.811 33.629 -0.818 1
1 977 . 16 1 1 A 79 79 LYS N N 79 121.638 118.361 3.277 1
1 978 . 16 1 1 A 80 80 ALA H H 80 8.142 7.752 0.390 1
1 979 . 16 1 1 A 80 80 ALA HA H 80 4.245 4.553 -0.308 1
1 983 . 16 1 1 A 80 80 ALA C C 80 177.868 175.739 2.129 1
1 984 . 16 1 1 A 80 80 ALA CA C 80 52.706 51.446 1.260 1
1 985 . 16 1 1 A 80 80 ALA CB C 80 19.117 20.413 -1.296 1
1 986 . 16 1 1 A 80 80 ALA N N 80 123.770 117.654 6.116 1
1 987 . 16 1 1 A 81 81 LEU H H 81 8.040 8.844 -0.804 1
1 988 . 16 1 1 A 81 81 LEU HA H 81 4.245 4.642 -0.397 1
1 998 . 16 1 1 A 81 81 LEU C C 81 177.434 176.173 1.261 1
1 999 . 16 1 1 A 81 81 LEU CA C 81 55.673 54.377 1.296 1
1 1000 . 16 1 1 A 81 81 LEU CB C 81 42.160 41.011 1.149 1
1 1004 . 16 1 1 A 81 81 LEU N N 81 120.893 124.851 -3.958 1
1 1005 . 16 1 1 A 82 82 LYS H H 82 8.178 8.363 -0.185 1
1 1006 . 16 1 1 A 82 82 LYS HA H 82 4.283 4.217 0.066 1
1 1015 . 16 1 1 A 82 82 LYS C C 82 176.810 177.822 -1.012 1
1 1016 . 16 1 1 A 82 82 LYS CA C 82 56.715 56.400 0.315 1
1 1017 . 16 1 1 A 82 82 LYS CB C 82 32.846 33.880 -1.034 1
1 1021 . 16 1 1 A 82 82 LYS N N 82 121.957 125.609 -3.652 1
1 1022 . 16 1 1 A 83 83 VAL H H 83 8.123 8.522 -0.399 1
1 1023 . 16 1 1 A 83 83 VAL HA H 83 4.093 3.859 0.234 1
1 1031 . 16 1 1 A 83 83 VAL C C 83 176.604 177.618 -1.014 1
1 1032 . 16 1 1 A 83 83 VAL CA C 83 62.964 65.426 -2.462 1
1 1033 . 16 1 1 A 83 83 VAL CB C 83 32.742 31.787 0.955 1
1 1036 . 16 1 1 A 83 83 VAL N N 83 121.150 127.208 -6.058 1
1 1037 . 16 1 1 A 84 84 THR H H 84 8.162 8.042 0.120 1
1 1038 . 16 1 1 A 84 84 THR HA H 84 4.276 4.249 0.027 1
1 1043 . 16 1 1 A 84 84 THR C C 84 174.773 175.345 -0.572 1
1 1044 . 16 1 1 A 84 84 THR CA C 84 62.558 64.819 -2.261 1
1 1045 . 16 1 1 A 84 84 THR CB C 84 69.726 68.219 1.507 1
1 1047 . 16 1 1 A 84 84 THR N N 84 117.587 116.302 1.285 1
1 1048 . 16 1 1 A 85 85 MET H H 85 8.353 8.503 -0.150 1
1 1049 . 16 1 1 A 85 85 MET HA H 85 4.448 4.375 0.073 1
1 1054 . 16 1 1 A 85 85 MET C C 85 176.518 178.046 -1.528 1
1 1055 . 16 1 1 A 85 85 MET CA C 85 56.074 56.919 -0.845 1
1 1056 . 16 1 1 A 85 85 MET CB C 85 32.837 33.296 -0.459 1
1 1058 . 16 1 1 A 85 85 MET N N 85 122.707 119.194 3.513 1
1 1059 . 16 1 1 A 86 86 ILE H H 86 8.113 7.610 0.503 1
1 1060 . 16 1 1 A 86 86 ILE HA H 86 4.061 3.800 0.261 1
1 1070 . 16 1 1 A 86 86 ILE C C 86 176.712 178.314 -1.602 1
1 1071 . 16 1 1 A 86 86 ILE CA C 86 62.006 65.083 -3.077 1
1 1072 . 16 1 1 A 86 86 ILE CB C 86 38.402 36.898 1.504 1
1 1076 . 16 1 1 A 86 86 ILE N N 86 121.834 121.347 0.487 1
1 1077 . 16 1 1 A 87 87 GLN H H 87 8.328 8.472 -0.144 1
1 1078 . 16 1 1 A 87 87 GLN HA H 87 4.190 4.021 0.169 1
1 1085 . 16 1 1 A 87 87 GLN C C 87 176.617 177.799 -1.182 1
1 1086 . 16 1 1 A 87 87 GLN CA C 87 56.798 58.389 -1.591 1
1 1087 . 16 1 1 A 87 87 GLN CB C 87 29.044 27.700 1.344 1
1 1089 . 16 1 1 A 87 87 GLN N N 87 123.529 120.242 3.287 1
1 1091 . 16 1 1 A 88 88 LYS H H 88 8.232 7.880 0.352 1
1 1092 . 16 1 1 A 88 88 LYS HA H 88 4.133 3.904 0.229 1
1 1101 . 16 1 1 A 88 88 LYS C C 88 176.983 178.880 -1.897 1
1 1102 . 16 1 1 A 88 88 LYS CA C 88 57.289 59.058 -1.769 1
1 1103 . 16 1 1 A 88 88 LYS CB C 88 32.806 31.852 0.954 1
1 1107 . 16 1 1 A 88 88 LYS N N 88 121.677 119.121 2.556 1
1 1108 . 16 1 1 A 89 89 TYR H H 89 8.086 7.412 0.674 1
1 1109 . 16 1 1 A 89 89 TYR HA H 89 4.492 4.390 0.102 1
1 1116 . 16 1 1 A 89 89 TYR C C 89 176.250 177.663 -1.413 1
1 1117 . 16 1 1 A 89 89 TYR CA C 89 58.546 61.724 -3.178 1
1 1118 . 16 1 1 A 89 89 TYR CB C 89 38.410 37.977 0.433 1
1 1123 . 16 1 1 A 89 89 TYR N N 89 119.993 118.962 1.031 1
1 1124 . 16 1 1 A 90 90 ARG H H 90 8.127 7.772 0.355 1
1 1125 . 16 1 1 A 90 90 ARG HA H 90 4.119 4.279 -0.160 1
1 1132 . 16 1 1 A 90 90 ARG C C 90 176.628 176.930 -0.302 1
1 1133 . 16 1 1 A 90 90 ARG CA C 90 57.085 57.221 -0.136 1
1 1134 . 16 1 1 A 90 90 ARG CB C 90 30.568 30.782 -0.214 1
1 1137 . 16 1 1 A 90 90 ARG N N 90 121.679 120.390 1.289 1
1 1138 . 16 1 1 A 91 91 GLN H H 91 8.232 7.848 0.384 1
1 1139 . 16 1 1 A 91 91 GLN HA H 91 4.179 4.551 -0.372 1
1 1146 . 16 1 1 A 91 91 GLN C C 91 176.491 175.653 0.838 1
1 1147 . 16 1 1 A 91 91 GLN CA C 91 56.800 55.639 1.161 1
1 1148 . 16 1 1 A 91 91 GLN CB C 91 29.129 29.337 -0.208 1
1 1150 . 16 1 1 A 91 91 GLN N N 91 120.420 117.912 2.508 1
1 1152 . 16 1 1 A 92 92 LEU H H 92 8.118 7.433 0.685 1
1 1153 . 16 1 1 A 92 92 LEU HA H 92 4.269 4.515 -0.246 1
1 1162 . 16 1 1 A 92 92 LEU C C 92 177.632 175.574 2.058 1
1 1163 . 16 1 1 A 92 92 LEU CA C 92 55.419 54.285 1.134 1
1 1164 . 16 1 1 A 92 92 LEU CB C 92 42.238 43.163 -0.925 1
1 1167 . 16 1 1 A 92 92 LEU N N 92 122.670 121.244 1.426 1
1 1168 . 16 1 1 A 93 93 HIS H H 93 8.049 8.549 -0.500 1
1 1169 . 16 1 1 A 93 93 HIS HA H 93 4.228 5.485 -1.257 1
1 1172 . 16 1 1 A 93 93 HIS C C 93 177.608 174.638 2.970 1
1 1173 . 16 1 1 A 93 93 HIS CA C 93 55.512 54.020 1.492 1
1 1174 . 16 1 1 A 93 93 HIS CB C 93 42.238 32.185 10.053 1
1 1175 . 16 1 1 A 93 93 HIS N N 93 121.742 123.953 -2.211 1
1 1176 . 16 1 1 A 94 94 HIS H H 94 8.153 9.206 -1.053 1
1 1177 . 16 1 1 A 94 94 HIS HA H 94 4.141 4.168 -0.027 1
1 1180 . 16 1 1 A 94 94 HIS CA C 94 56.804 56.785 0.019 1
1 1181 . 16 1 1 A 94 94 HIS CB C 94 30.254 28.395 1.859 1
1 1182 . 16 1 1 A 94 94 HIS N N 94 120.504 119.579 0.925 1
1 1 . 17 1 1 A 2 2 TYR HA H 2 4.593 5.105 -0.512 1
1 8 . 17 1 1 A 2 2 TYR C C 2 174.805 175.538 -0.733 1
1 9 . 17 1 1 A 2 2 TYR CA C 2 57.884 56.666 1.218 1
1 10 . 17 1 1 A 2 2 TYR CB C 2 38.790 40.819 -2.029 1
1 15 . 17 1 1 A 3 3 LEU H H 3 8.189 8.633 -0.444 1
1 16 . 17 1 1 A 3 3 LEU HA H 3 4.268 4.401 -0.133 1
1 25 . 17 1 1 A 3 3 LEU C C 3 176.110 176.202 -0.092 1
1 26 . 17 1 1 A 3 3 LEU CA C 3 54.574 57.050 -2.476 1
1 27 . 17 1 1 A 3 3 LEU CB C 3 42.796 42.862 -0.066 1
1 30 . 17 1 1 A 3 3 LEU N N 3 126.201 127.154 -0.953 1
1 31 . 17 1 1 A 4 4 LYS H H 4 8.132 7.734 0.398 1
1 32 . 17 1 1 A 4 4 LYS HA H 4 4.336 4.783 -0.447 1
1 35 . 17 1 1 A 4 4 LYS C C 4 175.828 174.706 1.122 1
1 36 . 17 1 1 A 4 4 LYS CA C 4 56.186 55.676 0.510 1
1 37 . 17 1 1 A 4 4 LYS CB C 4 33.084 34.961 -1.877 1
1 38 . 17 1 1 A 4 4 LYS N N 4 123.332 118.826 4.506 1
1 39 . 17 1 1 A 5 5 ARG H H 5 8.537 9.016 -0.479 1
1 40 . 17 1 1 A 5 5 ARG HA H 5 4.327 4.850 -0.523 1
1 47 . 17 1 1 A 5 5 ARG C C 5 176.158 174.991 1.167 1
1 48 . 17 1 1 A 5 5 ARG CA C 5 56.076 56.458 -0.382 1
1 49 . 17 1 1 A 5 5 ARG CB C 5 31.028 30.930 0.098 1
1 52 . 17 1 1 A 5 5 ARG N N 5 124.828 128.864 -4.036 1
1 53 . 17 1 1 A 6 6 VAL H H 6 8.344 8.646 -0.302 1
1 54 . 17 1 1 A 6 6 VAL HA H 6 4.154 4.437 -0.283 1
1 62 . 17 1 1 A 6 6 VAL C C 6 175.662 175.656 0.006 1
1 63 . 17 1 1 A 6 6 VAL CA C 6 61.973 61.090 0.883 1
1 64 . 17 1 1 A 6 6 VAL CB C 6 32.937 31.992 0.945 1
1 66 . 17 1 1 A 6 6 VAL N N 6 122.153 126.591 -4.438 1
1 67 . 17 1 1 A 7 7 ASP H H 7 8.469 8.638 -0.169 1
1 68 . 17 1 1 A 7 7 ASP HA H 7 4.681 4.731 -0.050 1
1 71 . 17 1 1 A 7 7 ASP C C 7 176.217 176.044 0.173 1
1 72 . 17 1 1 A 7 7 ASP CA C 7 54.202 53.881 0.321 1
1 73 . 17 1 1 A 7 7 ASP CB C 7 41.583 40.931 0.652 1
1 74 . 17 1 1 A 7 7 ASP N N 7 124.555 126.267 -1.712 1
1 75 . 17 1 1 A 8 8 GLY H H 8 8.185 7.990 0.195 1
1 76 . 17 1 1 A 8 8 GLY HA2 H 8 4.184 4.061 0.123 1
1 77 . 17 1 1 A 8 8 GLY HA3 H 8 4.070 4.066 0.004 1
1 78 . 17 1 1 A 8 8 GLY C C 8 171.436 173.560 -2.124 1
1 79 . 17 1 1 A 8 8 GLY CA C 8 44.634 45.096 -0.462 1
1 80 . 17 1 1 A 8 8 GLY N N 8 109.085 108.007 1.078 1
1 81 . 17 1 1 A 9 9 PRO HA H 9 4.510 4.679 -0.169 1
1 88 . 17 1 1 A 9 9 PRO C C 9 176.784 177.053 -0.269 1
1 89 . 17 1 1 A 9 9 PRO CA C 9 62.869 63.029 -0.160 1
1 90 . 17 1 1 A 9 9 PRO CB C 9 32.364 32.282 0.082 1
1 93 . 17 1 1 A 10 10 ARG H H 10 8.761 9.116 -0.355 1
1 94 . 17 1 1 A 10 10 ARG HA H 10 4.165 4.271 -0.106 1
1 99 . 17 1 1 A 10 10 ARG C C 10 175.911 176.156 -0.245 1
1 100 . 17 1 1 A 10 10 ARG CA C 10 57.463 57.335 0.128 1
1 101 . 17 1 1 A 10 10 ARG CB C 10 31.030 31.377 -0.347 1
1 103 . 17 1 1 A 10 10 ARG N N 10 120.390 119.783 0.607 1
1 104 . 17 1 1 A 11 11 GLN H H 11 7.790 7.742 0.048 1
1 105 . 17 1 1 A 11 11 GLN HA H 11 5.173 4.990 0.183 1
1 112 . 17 1 1 A 11 11 GLN C C 11 173.893 173.710 0.183 1
1 113 . 17 1 1 A 11 11 GLN CA C 11 54.402 54.717 -0.315 1
1 114 . 17 1 1 A 11 11 GLN CB C 11 31.366 31.905 -0.539 1
1 116 . 17 1 1 A 11 11 GLN N N 11 114.694 115.385 -0.691 1
1 118 . 17 1 1 A 12 12 VAL H H 12 8.803 9.120 -0.317 1
1 119 . 17 1 1 A 12 12 VAL HA H 12 4.625 4.977 -0.352 1
1 127 . 17 1 1 A 12 12 VAL C C 12 173.796 174.359 -0.563 1
1 128 . 17 1 1 A 12 12 VAL CA C 12 60.127 59.277 0.850 1
1 129 . 17 1 1 A 12 12 VAL CB C 12 35.590 35.861 -0.271 1
1 132 . 17 1 1 A 12 12 VAL N N 12 115.575 117.850 -2.275 1
1 133 . 17 1 1 A 13 13 THR H H 13 8.553 8.394 0.159 1
1 134 . 17 1 1 A 13 13 THR HA H 13 4.772 4.676 0.096 1
1 139 . 17 1 1 A 13 13 THR C C 13 174.526 173.684 0.842 1
1 140 . 17 1 1 A 13 13 THR CA C 13 61.880 61.330 0.550 1
1 141 . 17 1 1 A 13 13 THR CB C 13 69.319 70.251 -0.932 1
1 143 . 17 1 1 A 13 13 THR N N 13 119.282 116.435 2.847 1
1 144 . 17 1 1 A 14 14 LEU H H 14 9.254 8.864 0.390 1
1 145 . 17 1 1 A 14 14 LEU HA H 14 4.210 4.254 -0.044 1
1 155 . 17 1 1 A 14 14 LEU C C 14 177.361 176.720 0.641 1
1 156 . 17 1 1 A 14 14 LEU CA C 14 54.116 53.059 1.057 1
1 157 . 17 1 1 A 14 14 LEU CB C 14 39.546 41.372 -1.826 1
1 161 . 17 1 1 A 14 14 LEU N N 14 129.147 127.075 2.072 1
1 162 . 17 1 1 A 15 15 PRO HA H 15 4.294 4.636 -0.342 1
1 169 . 17 1 1 A 15 15 PRO C C 15 176.570 177.568 -0.998 1
1 170 . 17 1 1 A 15 15 PRO CA C 15 65.392 64.571 0.821 1
1 171 . 17 1 1 A 15 15 PRO CB C 15 31.808 31.867 -0.059 1
1 174 . 17 1 1 A 16 16 ASP H H 16 7.397 7.960 -0.563 1
1 175 . 17 1 1 A 16 16 ASP HA H 16 4.486 4.708 -0.222 1
1 178 . 17 1 1 A 16 16 ASP C C 16 177.056 176.207 0.849 1
1 179 . 17 1 1 A 16 16 ASP CA C 16 53.157 54.503 -1.346 1
1 180 . 17 1 1 A 16 16 ASP CB C 16 39.987 41.407 -1.420 1
1 181 . 17 1 1 A 16 16 ASP N N 16 113.036 117.301 -4.265 1
1 182 . 17 1 1 A 17 17 GLY H H 17 8.399 7.682 0.717 1
1 183 . 17 1 1 A 17 17 GLY HA2 H 17 4.293 4.025 0.268 1
1 184 . 17 1 1 A 17 17 GLY HA3 H 17 3.481 4.043 -0.562 1
1 185 . 17 1 1 A 17 17 GLY C C 17 174.700 174.712 -0.012 1
1 186 . 17 1 1 A 17 17 GLY CA C 17 44.998 45.001 -0.003 1
1 187 . 17 1 1 A 17 17 GLY N N 17 108.859 107.594 1.265 1
1 188 . 17 1 1 A 18 18 THR H H 18 8.003 7.626 0.377 1
1 189 . 17 1 1 A 18 18 THR HA H 18 4.151 4.368 -0.217 1
1 194 . 17 1 1 A 18 18 THR C C 18 172.576 174.039 -1.463 1
1 195 . 17 1 1 A 18 18 THR CA C 18 63.144 62.461 0.683 1
1 196 . 17 1 1 A 18 18 THR CB C 18 69.888 69.506 0.382 1
1 198 . 17 1 1 A 18 18 THR N N 18 116.015 116.239 -0.224 1
1 199 . 17 1 1 A 19 19 VAL H H 19 8.384 8.326 0.058 1
1 200 . 17 1 1 A 19 19 VAL HA H 19 4.726 4.621 0.105 1
1 208 . 17 1 1 A 19 19 VAL C C 19 175.823 174.264 1.559 1
1 209 . 17 1 1 A 19 19 VAL CA C 19 61.491 61.019 0.472 1
1 210 . 17 1 1 A 19 19 VAL CB C 19 33.757 33.892 -0.135 1
1 213 . 17 1 1 A 19 19 VAL N N 19 121.723 123.005 -1.282 1
1 214 . 17 1 1 A 20 20 LEU H H 20 8.948 9.248 -0.300 1
1 215 . 17 1 1 A 20 20 LEU HA H 20 4.784 5.040 -0.256 1
1 225 . 17 1 1 A 20 20 LEU C C 20 174.749 176.117 -1.368 1
1 226 . 17 1 1 A 20 20 LEU CA C 20 53.616 53.568 0.048 1
1 227 . 17 1 1 A 20 20 LEU CB C 20 45.062 44.405 0.657 1
1 231 . 17 1 1 A 20 20 LEU N N 20 129.673 130.254 -0.581 1
1 232 . 17 1 1 A 21 21 SER H H 21 9.246 9.122 0.124 1
1 233 . 17 1 1 A 21 21 SER HA H 21 5.207 5.121 0.086 1
1 236 . 17 1 1 A 21 21 SER C C 21 176.047 176.016 0.031 1
1 237 . 17 1 1 A 21 21 SER CA C 21 56.523 56.571 -0.048 1
1 238 . 17 1 1 A 21 21 SER CB C 21 66.369 66.268 0.101 1
1 239 . 17 1 1 A 21 21 SER N N 21 120.387 119.506 0.881 1
1 240 . 17 1 1 A 22 22 ARG H H 22 8.847 9.012 -0.165 1
1 241 . 17 1 1 A 22 22 ARG HA H 22 3.868 4.279 -0.411 1
1 248 . 17 1 1 A 22 22 ARG C C 22 178.388 176.960 1.428 1
1 249 . 17 1 1 A 22 22 ARG CA C 22 60.207 58.517 1.690 1
1 250 . 17 1 1 A 22 22 ARG CB C 22 29.118 30.050 -0.932 1
1 253 . 17 1 1 A 22 22 ARG N N 22 122.878 120.863 2.015 1
1 254 . 17 1 1 A 23 23 ALA H H 23 8.243 7.800 0.443 1
1 255 . 17 1 1 A 23 23 ALA HA H 23 4.175 4.191 -0.016 1
1 259 . 17 1 1 A 23 23 ALA C C 23 177.763 178.211 -0.448 1
1 260 . 17 1 1 A 23 23 ALA CA C 23 54.000 53.246 0.754 1
1 261 . 17 1 1 A 23 23 ALA CB C 23 18.461 19.061 -0.600 1
1 262 . 17 1 1 A 23 23 ALA N N 23 121.050 121.665 -0.615 1
1 263 . 17 1 1 A 24 24 ASP H H 24 7.597 7.762 -0.165 1
1 264 . 17 1 1 A 24 24 ASP HA H 24 4.632 4.653 -0.021 1
1 267 . 17 1 1 A 24 24 ASP C C 24 176.608 177.117 -0.509 1
1 268 . 17 1 1 A 24 24 ASP CA C 24 54.726 55.448 -0.722 1
1 269 . 17 1 1 A 24 24 ASP CB C 24 42.026 41.585 0.441 1
1 270 . 17 1 1 A 24 24 ASP N N 24 115.095 116.467 -1.372 1
1 271 . 17 1 1 A 25 25 LEU H H 25 7.311 7.479 -0.168 1
1 272 . 17 1 1 A 25 25 LEU HA H 25 4.402 4.477 -0.075 1
1 282 . 17 1 1 A 25 25 LEU C C 25 174.724 174.917 -0.193 1
1 283 . 17 1 1 A 25 25 LEU CA C 25 53.307 53.913 -0.606 1
1 284 . 17 1 1 A 25 25 LEU CB C 25 40.047 42.199 -2.152 1
1 288 . 17 1 1 A 25 25 LEU N N 25 119.781 122.608 -2.827 1
1 289 . 17 1 1 A 26 26 PRO HA H 26 4.745 4.704 0.041 1
1 296 . 17 1 1 A 26 26 PRO CA C 26 61.496 61.704 -0.208 1
1 297 . 17 1 1 A 26 26 PRO CB C 26 30.700 31.582 -0.882 1
1 300 . 17 1 1 A 27 27 PRO HA H 27 4.598 4.621 -0.023 1
1 307 . 17 1 1 A 27 27 PRO C C 27 178.036 176.931 1.105 1
1 308 . 17 1 1 A 27 27 PRO CA C 27 62.923 62.686 0.237 1
1 309 . 17 1 1 A 27 27 PRO CB C 27 32.758 32.997 -0.239 1
1 312 . 17 1 1 A 28 28 LEU H H 28 8.880 8.448 0.432 1
1 313 . 17 1 1 A 28 28 LEU HA H 28 4.177 4.473 -0.296 1
1 323 . 17 1 1 A 28 28 LEU C C 28 176.873 177.405 -0.532 1
1 324 . 17 1 1 A 28 28 LEU CA C 28 57.833 56.606 1.227 1
1 325 . 17 1 1 A 28 28 LEU CB C 28 41.291 41.722 -0.431 1
1 329 . 17 1 1 A 28 28 LEU N N 28 122.643 120.687 1.956 1
1 330 . 17 1 1 A 29 29 ASP H H 29 8.203 8.204 -0.001 1
1 331 . 17 1 1 A 29 29 ASP HA H 29 4.615 4.688 -0.073 1
1 334 . 17 1 1 A 29 29 ASP C C 29 176.158 175.731 0.427 1
1 335 . 17 1 1 A 29 29 ASP CA C 29 53.098 53.652 -0.554 1
1 336 . 17 1 1 A 29 29 ASP CB C 29 39.311 39.939 -0.628 1
1 337 . 17 1 1 A 29 29 ASP N N 29 115.741 116.450 -0.709 1
1 338 . 17 1 1 A 30 30 THR H H 30 7.516 7.024 0.492 1
1 339 . 17 1 1 A 30 30 THR HA H 30 3.599 4.081 -0.482 1
1 344 . 17 1 1 A 30 30 THR C C 30 174.366 173.498 0.868 1
1 345 . 17 1 1 A 30 30 THR CA C 30 65.815 62.962 2.853 1
1 346 . 17 1 1 A 30 30 THR CB C 30 69.989 67.887 2.102 1
1 348 . 17 1 1 A 30 30 THR N N 30 116.808 116.528 0.280 1
1 349 . 17 1 1 A 31 31 ARG H H 31 8.482 8.556 -0.074 1
1 350 . 17 1 1 A 31 31 ARG HA H 31 4.583 4.488 0.095 1
1 358 . 17 1 1 A 31 31 ARG CA C 31 55.399 56.544 -1.145 1
1 359 . 17 1 1 A 31 31 ARG CB C 31 32.296 31.518 0.778 1
1 362 . 17 1 1 A 31 31 ARG N N 31 124.991 126.457 -1.466 1
1 364 . 17 1 1 A 32 32 ARG HA H 32 4.523 4.331 0.192 1
1 372 . 17 1 1 A 32 32 ARG C C 32 175.341 174.299 1.042 1
1 373 . 17 1 1 A 32 32 ARG CA C 32 54.759 55.039 -0.280 1
1 374 . 17 1 1 A 32 32 ARG CB C 32 30.348 28.828 1.520 1
1 378 . 17 1 1 A 33 33 TRP H H 33 8.923 8.669 0.254 1
1 379 . 17 1 1 A 33 33 TRP HA H 33 4.292 4.748 -0.456 1
1 388 . 17 1 1 A 33 33 TRP C C 33 176.208 176.410 -0.202 1
1 389 . 17 1 1 A 33 33 TRP CA C 33 56.923 57.472 -0.549 1
1 390 . 17 1 1 A 33 33 TRP CB C 33 28.492 28.932 -0.440 1
1 396 . 17 1 1 A 33 33 TRP N N 33 128.804 126.999 1.805 1
1 398 . 17 1 1 A 34 34 VAL H H 34 6.953 8.414 -1.461 1
1 399 . 17 1 1 A 34 34 VAL HA H 34 4.451 4.496 -0.045 1
1 407 . 17 1 1 A 34 34 VAL C C 34 177.217 176.779 0.438 1
1 408 . 17 1 1 A 34 34 VAL CA C 34 60.180 60.444 -0.264 1
1 409 . 17 1 1 A 34 34 VAL CB C 34 32.686 34.591 -1.905 1
1 412 . 17 1 1 A 34 34 VAL N N 34 114.683 123.312 -8.629 1
1 413 . 17 1 1 A 35 35 ALA HA H 35 3.745 3.851 -0.106 1
1 417 . 17 1 1 A 35 35 ALA C C 35 180.114 179.841 0.273 1
1 418 . 17 1 1 A 35 35 ALA CA C 35 56.618 55.464 1.154 1
1 419 . 17 1 1 A 35 35 ALA CB C 35 18.334 18.023 0.311 1
1 420 . 17 1 1 A 36 36 SER H H 36 8.841 7.971 0.870 1
1 421 . 17 1 1 A 36 36 SER HA H 36 4.140 4.120 0.020 1
1 424 . 17 1 1 A 36 36 SER C C 36 177.291 176.206 1.085 1
1 425 . 17 1 1 A 36 36 SER CA C 36 61.250 61.151 0.099 1
1 426 . 17 1 1 A 36 36 SER CB C 36 61.673 63.090 -1.417 1
1 427 . 17 1 1 A 36 36 SER N N 36 111.913 112.915 -1.002 1
1 428 . 17 1 1 A 37 37 ARG H H 37 7.183 7.131 0.052 1
1 429 . 17 1 1 A 37 37 ARG HA H 37 4.349 4.226 0.123 1
1 436 . 17 1 1 A 37 37 ARG C C 37 177.816 178.435 -0.619 1
1 437 . 17 1 1 A 37 37 ARG CA C 37 58.944 58.521 0.423 1
1 438 . 17 1 1 A 37 37 ARG CB C 37 31.009 30.143 0.866 1
1 441 . 17 1 1 A 37 37 ARG N N 37 123.504 121.485 2.019 1
1 442 . 17 1 1 A 38 38 LYS H H 38 7.514 8.139 -0.625 1
1 443 . 17 1 1 A 38 38 LYS HA H 38 3.592 3.252 0.340 1
1 452 . 17 1 1 A 38 38 LYS C C 38 178.935 178.867 0.068 1
1 453 . 17 1 1 A 38 38 LYS CA C 38 59.846 58.973 0.873 1
1 454 . 17 1 1 A 38 38 LYS CB C 38 33.310 31.536 1.774 1
1 458 . 17 1 1 A 38 38 LYS N N 38 118.200 119.680 -1.480 1
1 459 . 17 1 1 A 39 39 ALA H H 39 8.131 8.202 -0.071 1
1 460 . 17 1 1 A 39 39 ALA HA H 39 3.865 4.026 -0.161 1
1 464 . 17 1 1 A 39 39 ALA C C 39 178.995 179.624 -0.629 1
1 465 . 17 1 1 A 39 39 ALA CA C 39 55.093 54.999 0.094 1
1 466 . 17 1 1 A 39 39 ALA CB C 39 18.124 17.914 0.210 1
1 467 . 17 1 1 A 39 39 ALA N N 39 117.547 122.221 -4.674 1
1 468 . 17 1 1 A 40 40 ALA H H 40 7.375 7.937 -0.562 1
1 469 . 17 1 1 A 40 40 ALA HA H 40 4.134 4.132 0.002 1
1 473 . 17 1 1 A 40 40 ALA C C 40 179.512 180.259 -0.747 1
1 474 . 17 1 1 A 40 40 ALA CA C 40 55.506 55.315 0.191 1
1 475 . 17 1 1 A 40 40 ALA CB C 40 18.473 18.226 0.247 1
1 476 . 17 1 1 A 40 40 ALA N N 40 119.346 119.955 -0.609 1
1 477 . 17 1 1 A 41 41 VAL H H 41 7.382 7.728 -0.346 1
1 478 . 17 1 1 A 41 41 VAL HA H 41 3.642 3.803 -0.161 1
1 486 . 17 1 1 A 41 41 VAL C C 41 177.423 178.229 -0.806 1
1 487 . 17 1 1 A 41 41 VAL CA C 41 67.279 67.044 0.235 1
1 488 . 17 1 1 A 41 41 VAL CB C 41 32.149 32.031 0.118 1
1 491 . 17 1 1 A 41 41 VAL N N 41 116.434 119.110 -2.676 1
1 492 . 17 1 1 A 42 42 VAL H H 42 8.332 8.394 -0.062 1
1 493 . 17 1 1 A 42 42 VAL HA H 42 3.723 3.988 -0.265 1
1 501 . 17 1 1 A 42 42 VAL C C 42 178.381 178.028 0.353 1
1 502 . 17 1 1 A 42 42 VAL CA C 42 67.698 65.397 2.301 1
1 503 . 17 1 1 A 42 42 VAL CB C 42 32.170 31.113 1.057 1
1 506 . 17 1 1 A 42 42 VAL N N 42 118.061 120.216 -2.155 1
1 507 . 17 1 1 A 43 43 LYS H H 43 8.973 8.326 0.647 1
1 508 . 17 1 1 A 43 43 LYS HA H 43 3.977 4.078 -0.101 1
1 517 . 17 1 1 A 43 43 LYS C C 43 177.830 179.305 -1.475 1
1 518 . 17 1 1 A 43 43 LYS CA C 43 60.343 59.501 0.842 1
1 519 . 17 1 1 A 43 43 LYS CB C 43 32.863 32.159 0.704 1
1 523 . 17 1 1 A 43 43 LYS N N 43 118.026 122.473 -4.447 1
1 524 . 17 1 1 A 44 44 ALA H H 44 7.959 7.930 0.029 1
1 525 . 17 1 1 A 44 44 ALA HA H 44 3.968 4.089 -0.121 1
1 529 . 17 1 1 A 44 44 ALA C C 44 178.921 179.611 -0.690 1
1 530 . 17 1 1 A 44 44 ALA CA C 44 55.324 55.311 0.013 1
1 531 . 17 1 1 A 44 44 ALA CB C 44 19.816 18.534 1.282 1
1 532 . 17 1 1 A 44 44 ALA N N 44 119.893 122.800 -2.907 1
1 533 . 17 1 1 A 45 45 VAL H H 45 7.789 7.760 0.029 1
1 534 . 17 1 1 A 45 45 VAL HA H 45 4.494 4.109 0.385 1
1 542 . 17 1 1 A 45 45 VAL C C 45 180.590 178.279 2.311 1
1 543 . 17 1 1 A 45 45 VAL CA C 45 64.383 66.660 -2.277 1
1 544 . 17 1 1 A 45 45 VAL CB C 45 32.456 31.465 0.991 1
1 547 . 17 1 1 A 45 45 VAL N N 45 118.569 117.767 0.802 1
1 548 . 17 1 1 A 46 46 ILE H H 46 8.945 8.119 0.826 1
1 549 . 17 1 1 A 46 46 ILE HA H 46 3.689 3.813 -0.124 1
1 559 . 17 1 1 A 46 46 ILE C C 46 178.437 177.573 0.864 1
1 560 . 17 1 1 A 46 46 ILE CA C 46 65.391 64.704 0.687 1
1 561 . 17 1 1 A 46 46 ILE CB C 46 38.182 37.685 0.497 1
1 565 . 17 1 1 A 46 46 ILE N N 46 121.331 119.474 1.857 1
1 566 . 17 1 1 A 47 47 HIS H H 47 8.030 7.476 0.554 1
1 567 . 17 1 1 A 47 47 HIS HA H 47 4.663 4.738 -0.075 1
1 572 . 17 1 1 A 47 47 HIS C C 47 175.308 175.360 -0.052 1
1 573 . 17 1 1 A 47 47 HIS CA C 47 56.736 55.935 0.801 1
1 574 . 17 1 1 A 47 47 HIS CB C 47 29.482 30.101 -0.619 1
1 577 . 17 1 1 A 47 47 HIS N N 47 113.700 117.343 -3.643 1
1 578 . 17 1 1 A 48 48 GLY H H 48 7.543 7.748 -0.205 1
1 579 . 17 1 1 A 48 48 GLY HA2 H 48 4.026 3.889 0.137 1
1 580 . 17 1 1 A 48 48 GLY HA3 H 48 3.904 3.892 0.012 1
1 581 . 17 1 1 A 48 48 GLY C C 48 175.172 175.273 -0.101 1
1 582 . 17 1 1 A 48 48 GLY CA C 48 46.740 45.821 0.919 1
1 583 . 17 1 1 A 48 48 GLY N N 48 106.113 107.524 -1.411 1
1 584 . 17 1 1 A 49 49 LEU H H 49 8.803 7.811 0.992 1
1 585 . 17 1 1 A 49 49 LEU HA H 49 4.090 4.032 0.058 1
1 595 . 17 1 1 A 49 49 LEU C C 49 176.111 176.276 -0.165 1
1 596 . 17 1 1 A 49 49 LEU CA C 49 57.575 57.436 0.139 1
1 597 . 17 1 1 A 49 49 LEU CB C 49 42.969 42.850 0.119 1
1 601 . 17 1 1 A 49 49 LEU N N 49 122.636 121.927 0.709 1
1 602 . 17 1 1 A 50 50 ILE H H 50 7.257 7.342 -0.085 1
1 603 . 17 1 1 A 50 50 ILE HA H 50 4.689 4.823 -0.134 1
1 613 . 17 1 1 A 50 50 ILE C C 50 174.994 174.239 0.755 1
1 614 . 17 1 1 A 50 50 ILE CA C 50 58.262 58.888 -0.626 1
1 615 . 17 1 1 A 50 50 ILE CB C 50 41.641 41.443 0.198 1
1 619 . 17 1 1 A 50 50 ILE N N 50 107.650 114.513 -6.863 1
1 620 . 17 1 1 A 51 51 THR H H 51 8.677 8.017 0.660 1
1 621 . 17 1 1 A 51 51 THR HA H 51 4.466 4.814 -0.348 1
1 627 . 17 1 1 A 51 51 THR C C 51 175.227 174.755 0.472 1
1 628 . 17 1 1 A 51 51 THR CA C 51 60.728 59.689 1.039 1
1 629 . 17 1 1 A 51 51 THR CB C 51 71.216 70.812 0.404 1
1 631 . 17 1 1 A 51 51 THR N N 51 111.798 116.403 -4.605 1
1 632 . 17 1 1 A 52 52 GLU H H 52 9.034 9.109 -0.075 1
1 633 . 17 1 1 A 52 52 GLU HA H 52 3.507 3.530 -0.023 1
1 638 . 17 1 1 A 52 52 GLU C C 52 177.287 177.548 -0.261 1
1 639 . 17 1 1 A 52 52 GLU CA C 52 60.515 59.641 0.874 1
1 640 . 17 1 1 A 52 52 GLU CB C 52 29.418 29.129 0.289 1
1 642 . 17 1 1 A 52 52 GLU N N 52 122.067 126.098 -4.031 1
1 643 . 17 1 1 A 53 53 ARG H H 53 8.213 7.594 0.619 1
1 644 . 17 1 1 A 53 53 ARG HA H 53 3.740 3.921 -0.181 1
1 652 . 17 1 1 A 53 53 ARG C C 53 177.698 178.094 -0.396 1
1 653 . 17 1 1 A 53 53 ARG CA C 53 58.635 59.115 -0.480 1
1 654 . 17 1 1 A 53 53 ARG CB C 53 30.257 29.881 0.376 1
1 658 . 17 1 1 A 53 53 ARG N N 53 116.853 120.094 -3.241 1
1 660 . 17 1 1 A 54 54 GLU H H 54 7.747 7.637 0.110 1
1 661 . 17 1 1 A 54 54 GLU HA H 54 3.978 4.055 -0.077 1
1 666 . 17 1 1 A 54 54 GLU C C 54 178.915 178.543 0.372 1
1 667 . 17 1 1 A 54 54 GLU CA C 54 59.312 58.846 0.466 1
1 668 . 17 1 1 A 54 54 GLU CB C 54 29.678 29.052 0.626 1
1 670 . 17 1 1 A 54 54 GLU N N 54 118.040 118.856 -0.816 1
1 671 . 17 1 1 A 55 55 ALA H H 55 7.932 7.863 0.069 1
1 672 . 17 1 1 A 55 55 ALA HA H 55 3.694 4.080 -0.386 1
1 676 . 17 1 1 A 55 55 ALA C C 55 178.383 180.062 -1.679 1
1 677 . 17 1 1 A 55 55 ALA CA C 55 55.871 55.113 0.758 1
1 678 . 17 1 1 A 55 55 ALA CB C 55 17.664 18.252 -0.588 1
1 679 . 17 1 1 A 55 55 ALA N N 55 122.121 122.527 -0.406 1
1 680 . 17 1 1 A 56 56 LEU H H 56 8.110 7.959 0.151 1
1 681 . 17 1 1 A 56 56 LEU HA H 56 3.605 3.795 -0.190 1
1 691 . 17 1 1 A 56 56 LEU C C 56 180.273 179.272 1.001 1
1 692 . 17 1 1 A 56 56 LEU CA C 56 58.167 57.773 0.394 1
1 693 . 17 1 1 A 56 56 LEU CB C 56 39.563 40.782 -1.219 1
1 697 . 17 1 1 A 56 56 LEU N N 56 114.908 118.425 -3.517 1
1 698 . 17 1 1 A 57 57 ASP H H 57 8.080 8.209 -0.129 1
1 699 . 17 1 1 A 57 57 ASP HA H 57 4.353 4.268 0.085 1
1 702 . 17 1 1 A 57 57 ASP C C 57 179.121 178.388 0.733 1
1 703 . 17 1 1 A 57 57 ASP CA C 57 56.644 57.342 -0.698 1
1 704 . 17 1 1 A 57 57 ASP CB C 57 40.909 41.468 -0.559 1
1 705 . 17 1 1 A 57 57 ASP N N 57 117.019 119.671 -2.652 1
1 706 . 17 1 1 A 58 58 ARG H H 58 8.584 8.633 -0.049 1
1 707 . 17 1 1 A 58 58 ARG HA H 58 3.728 4.008 -0.280 1
1 715 . 17 1 1 A 58 58 ARG C C 58 177.362 176.627 0.735 1
1 716 . 17 1 1 A 58 58 ARG CA C 58 59.141 58.449 0.692 1
1 717 . 17 1 1 A 58 58 ARG CB C 58 30.462 29.676 0.786 1
1 720 . 17 1 1 A 58 58 ARG N N 58 119.926 118.124 1.802 1
1 722 . 17 1 1 A 59 59 TYR H H 59 7.133 7.452 -0.319 1
1 723 . 17 1 1 A 59 59 TYR HA H 59 5.018 4.782 0.236 1
1 730 . 17 1 1 A 59 59 TYR C C 59 173.865 174.727 -0.862 1
1 731 . 17 1 1 A 59 59 TYR CA C 59 57.348 57.861 -0.513 1
1 732 . 17 1 1 A 59 59 TYR CB C 59 38.052 39.135 -1.083 1
1 737 . 17 1 1 A 59 59 TYR N N 59 111.796 117.981 -6.185 1
1 738 . 17 1 1 A 60 60 SER H H 60 7.542 7.615 -0.073 1
1 739 . 17 1 1 A 60 60 SER HA H 60 4.082 4.148 -0.066 1
1 742 . 17 1 1 A 60 60 SER C C 60 176.402 173.302 3.100 1
1 743 . 17 1 1 A 60 60 SER CA C 60 58.482 59.072 -0.590 1
1 744 . 17 1 1 A 60 60 SER CB C 60 61.229 61.228 0.001 1
1 745 . 17 1 1 A 60 60 SER N N 60 114.624 112.245 2.379 1
1 746 . 17 1 1 A 61 61 LEU H H 61 8.228 7.822 0.406 1
1 747 . 17 1 1 A 61 61 LEU HA H 61 4.583 4.730 -0.147 1
1 757 . 17 1 1 A 61 61 LEU C C 61 176.463 176.145 0.318 1
1 758 . 17 1 1 A 61 61 LEU CA C 61 52.478 53.432 -0.954 1
1 759 . 17 1 1 A 61 61 LEU CB C 61 45.873 44.160 1.713 1
1 763 . 17 1 1 A 61 61 LEU N N 61 119.424 121.646 -2.222 1
1 764 . 17 1 1 A 62 62 SER H H 62 8.376 8.842 -0.466 1
1 765 . 17 1 1 A 62 62 SER HA H 62 4.555 4.653 -0.098 1
1 768 . 17 1 1 A 62 62 SER C C 62 175.088 175.485 -0.397 1
1 769 . 17 1 1 A 62 62 SER CA C 62 56.123 57.140 -1.017 1
1 770 . 17 1 1 A 62 62 SER CB C 62 65.560 65.512 0.048 1
1 771 . 17 1 1 A 62 62 SER N N 62 115.890 118.259 -2.369 1
1 772 . 17 1 1 A 63 63 GLU H H 63 9.204 9.141 0.063 1
1 773 . 17 1 1 A 63 63 GLU HA H 63 3.806 3.958 -0.152 1
1 778 . 17 1 1 A 63 63 GLU C C 63 179.412 178.170 1.242 1
1 779 . 17 1 1 A 63 63 GLU CA C 63 60.338 59.611 0.727 1
1 780 . 17 1 1 A 63 63 GLU CB C 63 29.354 29.224 0.130 1
1 782 . 17 1 1 A 63 63 GLU N N 63 122.263 124.068 -1.805 1
1 783 . 17 1 1 A 64 64 GLU H H 64 8.859 8.532 0.327 1
1 784 . 17 1 1 A 64 64 GLU HA H 64 3.969 4.077 -0.108 1
1 789 . 17 1 1 A 64 64 GLU C C 64 178.700 178.637 0.063 1
1 790 . 17 1 1 A 64 64 GLU CA C 64 59.822 59.161 0.661 1
1 791 . 17 1 1 A 64 64 GLU CB C 64 29.210 29.010 0.200 1
1 793 . 17 1 1 A 64 64 GLU N N 64 119.056 117.350 1.706 1
1 794 . 17 1 1 A 65 65 GLU H H 65 7.864 7.802 0.062 1
1 795 . 17 1 1 A 65 65 GLU HA H 65 3.960 4.077 -0.117 1
1 800 . 17 1 1 A 65 65 GLU C C 65 177.783 178.683 -0.900 1
1 801 . 17 1 1 A 65 65 GLU CA C 65 58.817 58.963 -0.146 1
1 802 . 17 1 1 A 65 65 GLU CB C 65 29.452 29.834 -0.382 1
1 804 . 17 1 1 A 65 65 GLU N N 65 121.783 120.205 1.578 1
1 805 . 17 1 1 A 66 66 PHE H H 66 7.918 7.740 0.178 1
1 806 . 17 1 1 A 66 66 PHE HA H 66 3.294 3.458 -0.164 1
1 814 . 17 1 1 A 66 66 PHE C C 66 177.021 177.910 -0.889 1
1 815 . 17 1 1 A 66 66 PHE CA C 66 61.197 61.220 -0.023 1
1 816 . 17 1 1 A 66 66 PHE CB C 66 39.279 38.870 0.409 1
1 820 . 17 1 1 A 66 66 PHE N N 66 117.902 120.350 -2.448 1
1 821 . 17 1 1 A 67 67 ALA H H 67 8.011 8.517 -0.506 1
1 822 . 17 1 1 A 67 67 ALA HA H 67 3.839 4.003 -0.164 1
1 826 . 17 1 1 A 67 67 ALA C C 67 181.069 179.917 1.152 1
1 827 . 17 1 1 A 67 67 ALA CA C 67 55.296 55.223 0.073 1
1 828 . 17 1 1 A 67 67 ALA CB C 67 17.648 18.023 -0.375 1
1 829 . 17 1 1 A 67 67 ALA N N 67 119.951 121.186 -1.235 1
1 830 . 17 1 1 A 68 68 LEU H H 68 7.431 7.937 -0.506 1
1 831 . 17 1 1 A 68 68 LEU HA H 68 4.162 4.035 0.127 1
1 841 . 17 1 1 A 68 68 LEU C C 68 180.631 179.513 1.118 1
1 842 . 17 1 1 A 68 68 LEU CA C 68 57.621 57.915 -0.294 1
1 843 . 17 1 1 A 68 68 LEU CB C 68 41.083 42.198 -1.115 1
1 847 . 17 1 1 A 68 68 LEU N N 68 119.888 118.658 1.230 1
1 848 . 17 1 1 A 69 69 TRP H H 69 8.288 8.126 0.162 1
1 849 . 17 1 1 A 69 69 TRP HA H 69 4.341 4.278 0.063 1
1 858 . 17 1 1 A 69 69 TRP C C 69 179.178 179.446 -0.268 1
1 859 . 17 1 1 A 69 69 TRP CA C 69 59.228 60.114 -0.886 1
1 860 . 17 1 1 A 69 69 TRP CB C 69 28.387 28.859 -0.472 1
1 866 . 17 1 1 A 69 69 TRP N N 69 122.616 118.855 3.761 1
1 868 . 17 1 1 A 70 70 ARG H H 70 8.291 7.921 0.370 1
1 869 . 17 1 1 A 70 70 ARG HA H 70 3.743 4.077 -0.334 1
1 877 . 17 1 1 A 70 70 ARG C C 70 178.811 178.129 0.682 1
1 878 . 17 1 1 A 70 70 ARG CA C 70 59.614 58.527 1.087 1
1 879 . 17 1 1 A 70 70 ARG CB C 70 30.171 29.680 0.491 1
1 882 . 17 1 1 A 70 70 ARG N N 70 117.864 118.314 -0.450 1
1 884 . 17 1 1 A 71 71 SER H H 71 8.000 7.772 0.228 1
1 885 . 17 1 1 A 71 71 SER HA H 71 4.212 4.257 -0.045 1
1 888 . 17 1 1 A 71 71 SER C C 71 176.074 175.521 0.553 1
1 889 . 17 1 1 A 71 71 SER CA C 71 61.074 61.303 -0.229 1
1 890 . 17 1 1 A 71 71 SER CB C 71 62.891 63.338 -0.447 1
1 891 . 17 1 1 A 71 71 SER N N 71 114.582 117.461 -2.879 1
1 892 . 17 1 1 A 72 72 ALA H H 72 7.816 7.760 0.056 1
1 893 . 17 1 1 A 72 72 ALA HA H 72 4.230 4.344 -0.114 1
1 897 . 17 1 1 A 72 72 ALA C C 72 179.631 180.221 -0.590 1
1 898 . 17 1 1 A 72 72 ALA CA C 72 54.245 54.143 0.102 1
1 899 . 17 1 1 A 72 72 ALA CB C 72 18.687 19.286 -0.599 1
1 900 . 17 1 1 A 72 72 ALA N N 72 124.141 123.085 1.056 1
1 901 . 17 1 1 A 73 73 VAL H H 73 7.728 8.239 -0.511 1
1 902 . 17 1 1 A 73 73 VAL HA H 73 3.850 3.650 0.200 1
1 910 . 17 1 1 A 73 73 VAL C C 73 177.286 177.604 -0.318 1
1 911 . 17 1 1 A 73 73 VAL CA C 73 64.163 66.064 -1.901 1
1 912 . 17 1 1 A 73 73 VAL CB C 73 32.466 31.978 0.488 1
1 915 . 17 1 1 A 73 73 VAL N N 73 117.289 118.373 -1.084 1
1 916 . 17 1 1 A 74 74 ALA H H 74 7.960 7.586 0.374 1
1 917 . 17 1 1 A 74 74 ALA HA H 74 4.195 4.254 -0.059 1
1 921 . 17 1 1 A 74 74 ALA C C 74 178.318 177.725 0.593 1
1 922 . 17 1 1 A 74 74 ALA CA C 74 53.559 53.199 0.360 1
1 923 . 17 1 1 A 74 74 ALA CB C 74 18.612 18.761 -0.149 1
1 924 . 17 1 1 A 74 74 ALA N N 74 123.977 121.509 2.468 1
1 925 . 17 1 1 A 75 75 ALA H H 75 7.889 7.986 -0.097 1
1 926 . 17 1 1 A 75 75 ALA HA H 75 4.214 4.514 -0.300 1
1 930 . 17 1 1 A 75 75 ALA C C 75 178.233 177.042 1.191 1
1 931 . 17 1 1 A 75 75 ALA CA C 75 53.242 51.274 1.968 1
1 932 . 17 1 1 A 75 75 ALA CB C 75 18.812 20.247 -1.435 1
1 933 . 17 1 1 A 75 75 ALA N N 75 120.956 120.878 0.078 1
1 934 . 17 1 1 A 76 76 HIS H H 76 8.057 7.442 0.615 1
1 935 . 17 1 1 A 76 76 HIS HA H 76 4.585 4.588 -0.003 1
1 939 . 17 1 1 A 76 76 HIS C C 76 176.217 174.719 1.498 1
1 940 . 17 1 1 A 76 76 HIS CA C 76 56.644 56.295 0.349 1
1 941 . 17 1 1 A 76 76 HIS CB C 76 30.282 29.681 0.601 1
1 943 . 17 1 1 A 76 76 HIS N N 76 117.302 119.441 -2.139 1
1 944 . 17 1 1 A 77 77 GLY H H 77 8.229 8.376 -0.147 1
1 945 . 17 1 1 A 77 77 GLY HA2 H 77 3.951 3.944 0.007 1
1 946 . 17 1 1 A 77 77 GLY HA3 H 77 3.951 4.030 -0.079 1
1 947 . 17 1 1 A 77 77 GLY C C 77 174.415 174.379 0.036 1
1 948 . 17 1 1 A 77 77 GLY CA C 77 45.560 44.866 0.694 1
1 949 . 17 1 1 A 77 77 GLY N N 77 109.118 113.295 -4.177 1
1 950 . 17 1 1 A 78 78 GLU H H 78 8.335 8.795 -0.460 1
1 951 . 17 1 1 A 78 78 GLU HA H 78 4.210 4.040 0.170 1
1 956 . 17 1 1 A 78 78 GLU C C 78 177.052 178.059 -1.007 1
1 957 . 17 1 1 A 78 78 GLU CA C 78 56.836 58.359 -1.523 1
1 958 . 17 1 1 A 78 78 GLU CB C 78 30.136 28.531 1.605 1
1 960 . 17 1 1 A 78 78 GLU N N 78 120.947 123.570 -2.623 1
1 961 . 17 1 1 A 79 79 LYS H H 79 8.299 7.632 0.667 1
1 962 . 17 1 1 A 79 79 LYS HA H 79 4.205 4.264 -0.059 1
1 971 . 17 1 1 A 79 79 LYS C C 79 176.656 176.707 -0.051 1
1 972 . 17 1 1 A 79 79 LYS CA C 79 57.057 57.740 -0.683 1
1 973 . 17 1 1 A 79 79 LYS CB C 79 32.811 33.392 -0.581 1
1 977 . 17 1 1 A 79 79 LYS N N 79 121.638 118.270 3.368 1
1 978 . 17 1 1 A 80 80 ALA H H 80 8.142 7.493 0.649 1
1 979 . 17 1 1 A 80 80 ALA HA H 80 4.245 4.566 -0.321 1
1 983 . 17 1 1 A 80 80 ALA C C 80 177.868 175.196 2.672 1
1 984 . 17 1 1 A 80 80 ALA CA C 80 52.706 51.651 1.055 1
1 985 . 17 1 1 A 80 80 ALA CB C 80 19.117 22.664 -3.547 1
1 986 . 17 1 1 A 80 80 ALA N N 80 123.770 116.881 6.889 1
1 987 . 17 1 1 A 81 81 LEU H H 81 8.040 8.637 -0.597 1
1 988 . 17 1 1 A 81 81 LEU HA H 81 4.245 5.098 -0.853 1
1 998 . 17 1 1 A 81 81 LEU C C 81 177.434 175.623 1.811 1
1 999 . 17 1 1 A 81 81 LEU CA C 81 55.673 53.834 1.839 1
1 1000 . 17 1 1 A 81 81 LEU CB C 81 42.160 43.032 -0.872 1
1 1004 . 17 1 1 A 81 81 LEU N N 81 120.893 119.575 1.318 1
1 1005 . 17 1 1 A 82 82 LYS H H 82 8.178 8.323 -0.145 1
1 1006 . 17 1 1 A 82 82 LYS HA H 82 4.283 4.228 0.055 1
1 1015 . 17 1 1 A 82 82 LYS C C 82 176.810 177.491 -0.681 1
1 1016 . 17 1 1 A 82 82 LYS CA C 82 56.715 57.057 -0.342 1
1 1017 . 17 1 1 A 82 82 LYS CB C 82 32.846 33.480 -0.634 1
1 1021 . 17 1 1 A 82 82 LYS N N 82 121.957 124.626 -2.669 1
1 1022 . 17 1 1 A 83 83 VAL H H 83 8.123 8.560 -0.437 1
1 1023 . 17 1 1 A 83 83 VAL HA H 83 4.093 3.838 0.255 1
1 1031 . 17 1 1 A 83 83 VAL C C 83 176.604 177.558 -0.954 1
1 1032 . 17 1 1 A 83 83 VAL CA C 83 62.964 65.527 -2.563 1
1 1033 . 17 1 1 A 83 83 VAL CB C 83 32.742 31.660 1.082 1
1 1036 . 17 1 1 A 83 83 VAL N N 83 121.150 126.647 -5.497 1
1 1037 . 17 1 1 A 84 84 THR H H 84 8.162 7.912 0.250 1
1 1038 . 17 1 1 A 84 84 THR HA H 84 4.276 4.031 0.245 1
1 1043 . 17 1 1 A 84 84 THR C C 84 174.773 175.926 -1.153 1
1 1044 . 17 1 1 A 84 84 THR CA C 84 62.558 65.225 -2.667 1
1 1045 . 17 1 1 A 84 84 THR CB C 84 69.726 68.642 1.084 1
1 1047 . 17 1 1 A 84 84 THR N N 84 117.587 117.113 0.474 1
1 1048 . 17 1 1 A 85 85 MET H H 85 8.353 7.882 0.471 1
1 1049 . 17 1 1 A 85 85 MET HA H 85 4.448 4.021 0.427 1
1 1054 . 17 1 1 A 85 85 MET C C 85 176.518 177.945 -1.427 1
1 1055 . 17 1 1 A 85 85 MET CA C 85 56.074 57.458 -1.384 1
1 1056 . 17 1 1 A 85 85 MET CB C 85 32.837 31.871 0.966 1
1 1058 . 17 1 1 A 85 85 MET N N 85 122.707 120.042 2.665 1
1 1059 . 17 1 1 A 86 86 ILE H H 86 8.113 8.020 0.093 1
1 1060 . 17 1 1 A 86 86 ILE HA H 86 4.061 3.775 0.286 1
1 1070 . 17 1 1 A 86 86 ILE C C 86 176.712 177.888 -1.176 1
1 1071 . 17 1 1 A 86 86 ILE CA C 86 62.006 65.119 -3.113 1
1 1072 . 17 1 1 A 86 86 ILE CB C 86 38.402 37.707 0.695 1
1 1076 . 17 1 1 A 86 86 ILE N N 86 121.834 119.522 2.312 1
1 1077 . 17 1 1 A 87 87 GLN H H 87 8.328 8.124 0.204 1
1 1078 . 17 1 1 A 87 87 GLN HA H 87 4.190 3.966 0.224 1
1 1085 . 17 1 1 A 87 87 GLN C C 87 176.617 177.669 -1.052 1
1 1086 . 17 1 1 A 87 87 GLN CA C 87 56.798 59.347 -2.549 1
1 1087 . 17 1 1 A 87 87 GLN CB C 87 29.044 28.324 0.720 1
1 1089 . 17 1 1 A 87 87 GLN N N 87 123.529 121.036 2.493 1
1 1091 . 17 1 1 A 88 88 LYS H H 88 8.232 7.711 0.521 1
1 1092 . 17 1 1 A 88 88 LYS HA H 88 4.133 4.269 -0.136 1
1 1101 . 17 1 1 A 88 88 LYS C C 88 176.983 176.671 0.312 1
1 1102 . 17 1 1 A 88 88 LYS CA C 88 57.289 56.614 0.675 1
1 1103 . 17 1 1 A 88 88 LYS CB C 88 32.806 32.187 0.619 1
1 1107 . 17 1 1 A 88 88 LYS N N 88 121.677 118.075 3.602 1
1 1108 . 17 1 1 A 89 89 TYR H H 89 8.086 7.567 0.519 1
1 1109 . 17 1 1 A 89 89 TYR HA H 89 4.492 4.433 0.059 1
1 1116 . 17 1 1 A 89 89 TYR C C 89 176.250 178.507 -2.257 1
1 1117 . 17 1 1 A 89 89 TYR CA C 89 58.546 59.929 -1.383 1
1 1118 . 17 1 1 A 89 89 TYR CB C 89 38.410 39.557 -1.147 1
1 1123 . 17 1 1 A 89 89 TYR N N 89 119.993 118.840 1.153 1
1 1124 . 17 1 1 A 90 90 ARG H H 90 8.127 8.408 -0.281 1
1 1125 . 17 1 1 A 90 90 ARG HA H 90 4.119 4.130 -0.011 1
1 1132 . 17 1 1 A 90 90 ARG C C 90 176.628 177.177 -0.549 1
1 1133 . 17 1 1 A 90 90 ARG CA C 90 57.085 59.059 -1.974 1
1 1134 . 17 1 1 A 90 90 ARG CB C 90 30.568 30.122 0.446 1
1 1137 . 17 1 1 A 90 90 ARG N N 90 121.679 118.710 2.969 1
1 1138 . 17 1 1 A 91 91 GLN H H 91 8.232 7.532 0.700 1
1 1139 . 17 1 1 A 91 91 GLN HA H 91 4.179 4.700 -0.521 1
1 1146 . 17 1 1 A 91 91 GLN C C 91 176.491 176.509 -0.018 1
1 1147 . 17 1 1 A 91 91 GLN CA C 91 56.800 54.890 1.910 1
1 1148 . 17 1 1 A 91 91 GLN CB C 91 29.129 29.518 -0.389 1
1 1150 . 17 1 1 A 91 91 GLN N N 91 120.420 116.042 4.378 1
1 1152 . 17 1 1 A 92 92 LEU H H 92 8.118 7.811 0.307 1
1 1153 . 17 1 1 A 92 92 LEU HA H 92 4.269 4.063 0.206 1
1 1162 . 17 1 1 A 92 92 LEU C C 92 177.632 177.867 -0.235 1
1 1163 . 17 1 1 A 92 92 LEU CA C 92 55.419 58.169 -2.750 1
1 1164 . 17 1 1 A 92 92 LEU CB C 92 42.238 41.958 0.280 1
1 1167 . 17 1 1 A 92 92 LEU N N 92 122.670 122.435 0.235 1
1 1168 . 17 1 1 A 93 93 HIS H H 93 8.049 8.152 -0.103 1
1 1169 . 17 1 1 A 93 93 HIS HA H 93 4.228 4.859 -0.631 1
1 1172 . 17 1 1 A 93 93 HIS C C 93 177.608 174.694 2.914 1
1 1173 . 17 1 1 A 93 93 HIS CA C 93 55.512 54.007 1.505 1
1 1174 . 17 1 1 A 93 93 HIS CB C 93 42.238 30.152 12.086 1
1 1175 . 17 1 1 A 93 93 HIS N N 93 121.742 118.476 3.266 1
1 1176 . 17 1 1 A 94 94 HIS H H 94 8.153 8.926 -0.773 1
1 1177 . 17 1 1 A 94 94 HIS HA H 94 4.141 4.575 -0.434 1
1 1180 . 17 1 1 A 94 94 HIS CA C 94 56.804 57.735 -0.931 1
1 1181 . 17 1 1 A 94 94 HIS CB C 94 30.254 30.947 -0.693 1
1 1182 . 17 1 1 A 94 94 HIS N N 94 120.504 126.650 -6.146 1
1 1 . 18 1 1 A 2 2 TYR HA H 2 4.593 4.174 0.419 1
1 8 . 18 1 1 A 2 2 TYR C C 2 174.805 175.764 -0.959 1
1 9 . 18 1 1 A 2 2 TYR CA C 2 57.884 61.598 -3.714 1
1 10 . 18 1 1 A 2 2 TYR CB C 2 38.790 36.861 1.929 1
1 15 . 18 1 1 A 3 3 LEU H H 3 8.189 8.080 0.109 1
1 16 . 18 1 1 A 3 3 LEU HA H 3 4.268 4.606 -0.338 1
1 25 . 18 1 1 A 3 3 LEU C C 3 176.110 177.381 -1.271 1
1 26 . 18 1 1 A 3 3 LEU CA C 3 54.574 55.827 -1.253 1
1 27 . 18 1 1 A 3 3 LEU CB C 3 42.796 43.208 -0.412 1
1 30 . 18 1 1 A 3 3 LEU N N 3 126.201 119.198 7.003 1
1 31 . 18 1 1 A 4 4 LYS H H 4 8.132 8.304 -0.172 1
1 32 . 18 1 1 A 4 4 LYS HA H 4 4.336 4.152 0.184 1
1 35 . 18 1 1 A 4 4 LYS C C 4 175.828 174.612 1.216 1
1 36 . 18 1 1 A 4 4 LYS CA C 4 56.186 58.590 -2.404 1
1 37 . 18 1 1 A 4 4 LYS CB C 4 33.084 32.505 0.579 1
1 38 . 18 1 1 A 4 4 LYS N N 4 123.332 119.726 3.606 1
1 39 . 18 1 1 A 5 5 ARG H H 5 8.537 8.240 0.297 1
1 40 . 18 1 1 A 5 5 ARG HA H 5 4.327 4.610 -0.283 1
1 47 . 18 1 1 A 5 5 ARG C C 5 176.158 173.779 2.379 1
1 48 . 18 1 1 A 5 5 ARG CA C 5 56.076 55.806 0.270 1
1 49 . 18 1 1 A 5 5 ARG CB C 5 31.028 34.038 -3.010 1
1 52 . 18 1 1 A 5 5 ARG N N 5 124.828 119.741 5.087 1
1 53 . 18 1 1 A 6 6 VAL H H 6 8.344 8.792 -0.448 1
1 54 . 18 1 1 A 6 6 VAL HA H 6 4.154 4.480 -0.326 1
1 62 . 18 1 1 A 6 6 VAL C C 6 175.662 176.231 -0.569 1
1 63 . 18 1 1 A 6 6 VAL CA C 6 61.973 60.993 0.980 1
1 64 . 18 1 1 A 6 6 VAL CB C 6 32.937 34.042 -1.105 1
1 66 . 18 1 1 A 6 6 VAL N N 6 122.153 126.570 -4.417 1
1 67 . 18 1 1 A 7 7 ASP H H 7 8.469 8.909 -0.440 1
1 68 . 18 1 1 A 7 7 ASP HA H 7 4.681 4.445 0.236 1
1 71 . 18 1 1 A 7 7 ASP C C 7 176.217 176.082 0.135 1
1 72 . 18 1 1 A 7 7 ASP CA C 7 54.202 56.145 -1.943 1
1 73 . 18 1 1 A 7 7 ASP CB C 7 41.583 41.040 0.543 1
1 74 . 18 1 1 A 7 7 ASP N N 7 124.555 125.528 -0.973 1
1 75 . 18 1 1 A 8 8 GLY H H 8 8.185 7.823 0.362 1
1 76 . 18 1 1 A 8 8 GLY HA2 H 8 4.184 4.176 0.008 1
1 77 . 18 1 1 A 8 8 GLY HA3 H 8 4.070 4.179 -0.109 1
1 78 . 18 1 1 A 8 8 GLY C C 8 171.436 171.968 -0.532 1
1 79 . 18 1 1 A 8 8 GLY CA C 8 44.634 44.663 -0.029 1
1 80 . 18 1 1 A 8 8 GLY N N 8 109.085 107.498 1.587 1
1 81 . 18 1 1 A 9 9 PRO HA H 9 4.510 4.532 -0.022 1
1 88 . 18 1 1 A 9 9 PRO C C 9 176.784 176.613 0.171 1
1 89 . 18 1 1 A 9 9 PRO CA C 9 62.869 62.675 0.194 1
1 90 . 18 1 1 A 9 9 PRO CB C 9 32.364 33.169 -0.805 1
1 93 . 18 1 1 A 10 10 ARG H H 10 8.761 9.141 -0.380 1
1 94 . 18 1 1 A 10 10 ARG HA H 10 4.165 4.187 -0.022 1
1 99 . 18 1 1 A 10 10 ARG C C 10 175.911 176.132 -0.221 1
1 100 . 18 1 1 A 10 10 ARG CA C 10 57.463 57.750 -0.287 1
1 101 . 18 1 1 A 10 10 ARG CB C 10 31.030 30.995 0.035 1
1 103 . 18 1 1 A 10 10 ARG N N 10 120.390 120.010 0.380 1
1 104 . 18 1 1 A 11 11 GLN H H 11 7.790 7.679 0.111 1
1 105 . 18 1 1 A 11 11 GLN HA H 11 5.173 4.891 0.282 1
1 112 . 18 1 1 A 11 11 GLN C C 11 173.893 173.613 0.280 1
1 113 . 18 1 1 A 11 11 GLN CA C 11 54.402 54.924 -0.522 1
1 114 . 18 1 1 A 11 11 GLN CB C 11 31.366 32.101 -0.735 1
1 116 . 18 1 1 A 11 11 GLN N N 11 114.694 114.731 -0.037 1
1 118 . 18 1 1 A 12 12 VAL H H 12 8.803 9.147 -0.344 1
1 119 . 18 1 1 A 12 12 VAL HA H 12 4.625 5.015 -0.390 1
1 127 . 18 1 1 A 12 12 VAL C C 12 173.796 174.381 -0.585 1
1 128 . 18 1 1 A 12 12 VAL CA C 12 60.127 59.289 0.838 1
1 129 . 18 1 1 A 12 12 VAL CB C 12 35.590 35.609 -0.019 1
1 132 . 18 1 1 A 12 12 VAL N N 12 115.575 117.423 -1.848 1
1 133 . 18 1 1 A 13 13 THR H H 13 8.553 8.446 0.107 1
1 134 . 18 1 1 A 13 13 THR HA H 13 4.772 4.909 -0.137 1
1 139 . 18 1 1 A 13 13 THR C C 13 174.526 174.081 0.445 1
1 140 . 18 1 1 A 13 13 THR CA C 13 61.880 61.523 0.357 1
1 141 . 18 1 1 A 13 13 THR CB C 13 69.319 70.397 -1.078 1
1 143 . 18 1 1 A 13 13 THR N N 13 119.282 116.888 2.394 1
1 144 . 18 1 1 A 14 14 LEU H H 14 9.254 9.209 0.045 1
1 145 . 18 1 1 A 14 14 LEU HA H 14 4.210 4.362 -0.152 1
1 155 . 18 1 1 A 14 14 LEU C C 14 177.361 176.650 0.711 1
1 156 . 18 1 1 A 14 14 LEU CA C 14 54.116 52.686 1.430 1
1 157 . 18 1 1 A 14 14 LEU CB C 14 39.546 41.426 -1.880 1
1 161 . 18 1 1 A 14 14 LEU N N 14 129.147 127.445 1.702 1
1 162 . 18 1 1 A 15 15 PRO HA H 15 4.294 4.465 -0.171 1
1 169 . 18 1 1 A 15 15 PRO C C 15 176.570 177.627 -1.057 1
1 170 . 18 1 1 A 15 15 PRO CA C 15 65.392 64.510 0.882 1
1 171 . 18 1 1 A 15 15 PRO CB C 15 31.808 31.755 0.053 1
1 174 . 18 1 1 A 16 16 ASP H H 16 7.397 8.020 -0.623 1
1 175 . 18 1 1 A 16 16 ASP HA H 16 4.486 4.770 -0.284 1
1 178 . 18 1 1 A 16 16 ASP C C 16 177.056 176.492 0.564 1
1 179 . 18 1 1 A 16 16 ASP CA C 16 53.157 53.433 -0.276 1
1 180 . 18 1 1 A 16 16 ASP CB C 16 39.987 40.476 -0.489 1
1 181 . 18 1 1 A 16 16 ASP N N 16 113.036 114.148 -1.112 1
1 182 . 18 1 1 A 17 17 GLY H H 17 8.399 8.831 -0.432 1
1 183 . 18 1 1 A 17 17 GLY HA2 H 17 4.293 3.927 0.366 1
1 184 . 18 1 1 A 17 17 GLY HA3 H 17 3.481 3.935 -0.454 1
1 185 . 18 1 1 A 17 17 GLY C C 17 174.700 173.930 0.770 1
1 186 . 18 1 1 A 17 17 GLY CA C 17 44.998 46.544 -1.546 1
1 187 . 18 1 1 A 17 17 GLY N N 17 108.859 109.084 -0.225 1
1 188 . 18 1 1 A 18 18 THR H H 18 8.003 7.749 0.254 1
1 189 . 18 1 1 A 18 18 THR HA H 18 4.151 4.909 -0.758 1
1 194 . 18 1 1 A 18 18 THR C C 18 172.576 172.871 -0.295 1
1 195 . 18 1 1 A 18 18 THR CA C 18 63.144 60.916 2.228 1
1 196 . 18 1 1 A 18 18 THR CB C 18 69.888 72.696 -2.808 1
1 198 . 18 1 1 A 18 18 THR N N 18 116.015 113.459 2.556 1
1 199 . 18 1 1 A 19 19 VAL H H 19 8.384 8.548 -0.164 1
1 200 . 18 1 1 A 19 19 VAL HA H 19 4.726 4.811 -0.085 1
1 208 . 18 1 1 A 19 19 VAL C C 19 175.823 174.273 1.550 1
1 209 . 18 1 1 A 19 19 VAL CA C 19 61.491 60.914 0.577 1
1 210 . 18 1 1 A 19 19 VAL CB C 19 33.757 33.910 -0.153 1
1 213 . 18 1 1 A 19 19 VAL N N 19 121.723 122.650 -0.927 1
1 214 . 18 1 1 A 20 20 LEU H H 20 8.948 9.269 -0.321 1
1 215 . 18 1 1 A 20 20 LEU HA H 20 4.784 5.018 -0.234 1
1 225 . 18 1 1 A 20 20 LEU C C 20 174.749 175.311 -0.562 1
1 226 . 18 1 1 A 20 20 LEU CA C 20 53.616 53.596 0.020 1
1 227 . 18 1 1 A 20 20 LEU CB C 20 45.062 44.453 0.609 1
1 231 . 18 1 1 A 20 20 LEU N N 20 129.673 130.380 -0.707 1
1 232 . 18 1 1 A 21 21 SER H H 21 9.246 8.754 0.492 1
1 233 . 18 1 1 A 21 21 SER HA H 21 5.207 4.766 0.441 1
1 236 . 18 1 1 A 21 21 SER C C 21 176.047 175.476 0.571 1
1 237 . 18 1 1 A 21 21 SER CA C 21 56.523 57.464 -0.941 1
1 238 . 18 1 1 A 21 21 SER CB C 21 66.369 64.728 1.641 1
1 239 . 18 1 1 A 21 21 SER N N 21 120.387 123.990 -3.603 1
1 240 . 18 1 1 A 22 22 ARG H H 22 8.847 9.147 -0.300 1
1 241 . 18 1 1 A 22 22 ARG HA H 22 3.868 4.206 -0.338 1
1 248 . 18 1 1 A 22 22 ARG C C 22 178.388 176.938 1.450 1
1 249 . 18 1 1 A 22 22 ARG CA C 22 60.207 58.907 1.300 1
1 250 . 18 1 1 A 22 22 ARG CB C 22 29.118 29.818 -0.700 1
1 253 . 18 1 1 A 22 22 ARG N N 22 122.878 124.995 -2.117 1
1 254 . 18 1 1 A 23 23 ALA H H 23 8.243 7.817 0.426 1
1 255 . 18 1 1 A 23 23 ALA HA H 23 4.175 4.335 -0.160 1
1 259 . 18 1 1 A 23 23 ALA C C 23 177.763 177.635 0.128 1
1 260 . 18 1 1 A 23 23 ALA CA C 23 54.000 52.258 1.742 1
1 261 . 18 1 1 A 23 23 ALA CB C 23 18.461 19.752 -1.291 1
1 262 . 18 1 1 A 23 23 ALA N N 23 121.050 121.332 -0.282 1
1 263 . 18 1 1 A 24 24 ASP H H 24 7.597 8.103 -0.506 1
1 264 . 18 1 1 A 24 24 ASP HA H 24 4.632 4.728 -0.096 1
1 267 . 18 1 1 A 24 24 ASP C C 24 176.608 176.398 0.210 1
1 268 . 18 1 1 A 24 24 ASP CA C 24 54.726 54.551 0.175 1
1 269 . 18 1 1 A 24 24 ASP CB C 24 42.026 41.467 0.559 1
1 270 . 18 1 1 A 24 24 ASP N N 24 115.095 117.634 -2.539 1
1 271 . 18 1 1 A 25 25 LEU H H 25 7.311 7.516 -0.205 1
1 272 . 18 1 1 A 25 25 LEU HA H 25 4.402 4.513 -0.111 1
1 282 . 18 1 1 A 25 25 LEU C C 25 174.724 174.805 -0.081 1
1 283 . 18 1 1 A 25 25 LEU CA C 25 53.307 53.641 -0.334 1
1 284 . 18 1 1 A 25 25 LEU CB C 25 40.047 40.942 -0.895 1
1 288 . 18 1 1 A 25 25 LEU N N 25 119.781 122.881 -3.100 1
1 289 . 18 1 1 A 26 26 PRO HA H 26 4.745 4.662 0.083 1
1 296 . 18 1 1 A 26 26 PRO CA C 26 61.496 61.761 -0.265 1
1 297 . 18 1 1 A 26 26 PRO CB C 26 30.700 31.691 -0.991 1
1 300 . 18 1 1 A 27 27 PRO HA H 27 4.598 4.630 -0.032 1
1 307 . 18 1 1 A 27 27 PRO C C 27 178.036 177.561 0.475 1
1 308 . 18 1 1 A 27 27 PRO CA C 27 62.923 62.752 0.171 1
1 309 . 18 1 1 A 27 27 PRO CB C 27 32.758 32.485 0.273 1
1 312 . 18 1 1 A 28 28 LEU H H 28 8.880 8.562 0.318 1
1 313 . 18 1 1 A 28 28 LEU HA H 28 4.177 4.331 -0.154 1
1 323 . 18 1 1 A 28 28 LEU C C 28 176.873 177.645 -0.772 1
1 324 . 18 1 1 A 28 28 LEU CA C 28 57.833 57.498 0.335 1
1 325 . 18 1 1 A 28 28 LEU CB C 28 41.291 41.514 -0.223 1
1 329 . 18 1 1 A 28 28 LEU N N 28 122.643 123.188 -0.545 1
1 330 . 18 1 1 A 29 29 ASP H H 29 8.203 7.646 0.557 1
1 331 . 18 1 1 A 29 29 ASP HA H 29 4.615 4.749 -0.134 1
1 334 . 18 1 1 A 29 29 ASP C C 29 176.158 176.213 -0.055 1
1 335 . 18 1 1 A 29 29 ASP CA C 29 53.098 53.283 -0.185 1
1 336 . 18 1 1 A 29 29 ASP CB C 29 39.311 41.074 -1.763 1
1 337 . 18 1 1 A 29 29 ASP N N 29 115.741 116.706 -0.965 1
1 338 . 18 1 1 A 30 30 THR H H 30 7.516 7.302 0.214 1
1 339 . 18 1 1 A 30 30 THR HA H 30 3.599 4.020 -0.421 1
1 344 . 18 1 1 A 30 30 THR C C 30 174.366 173.083 1.283 1
1 345 . 18 1 1 A 30 30 THR CA C 30 65.815 62.852 2.963 1
1 346 . 18 1 1 A 30 30 THR CB C 30 69.989 67.789 2.200 1
1 348 . 18 1 1 A 30 30 THR N N 30 116.808 114.266 2.542 1
1 349 . 18 1 1 A 31 31 ARG H H 31 8.482 8.491 -0.009 1
1 350 . 18 1 1 A 31 31 ARG HA H 31 4.583 4.555 0.028 1
1 358 . 18 1 1 A 31 31 ARG CA C 31 55.399 54.693 0.706 1
1 359 . 18 1 1 A 31 31 ARG CB C 31 32.296 33.148 -0.852 1
1 362 . 18 1 1 A 31 31 ARG N N 31 124.991 125.793 -0.802 1
1 364 . 18 1 1 A 32 32 ARG HA H 32 4.523 4.298 0.225 1
1 372 . 18 1 1 A 32 32 ARG C C 32 175.341 175.497 -0.156 1
1 373 . 18 1 1 A 32 32 ARG CA C 32 54.759 57.835 -3.076 1
1 374 . 18 1 1 A 32 32 ARG CB C 32 30.348 30.377 -0.029 1
1 378 . 18 1 1 A 33 33 TRP H H 33 8.923 8.413 0.510 1
1 379 . 18 1 1 A 33 33 TRP HA H 33 4.292 4.688 -0.396 1
1 388 . 18 1 1 A 33 33 TRP C C 33 176.208 175.374 0.834 1
1 389 . 18 1 1 A 33 33 TRP CA C 33 56.923 58.402 -1.479 1
1 390 . 18 1 1 A 33 33 TRP CB C 33 28.492 28.268 0.224 1
1 396 . 18 1 1 A 33 33 TRP N N 33 128.804 118.806 9.998 1
1 398 . 18 1 1 A 34 34 VAL H H 34 6.953 8.458 -1.505 1
1 399 . 18 1 1 A 34 34 VAL HA H 34 4.451 4.548 -0.097 1
1 407 . 18 1 1 A 34 34 VAL C C 34 177.217 176.156 1.061 1
1 408 . 18 1 1 A 34 34 VAL CA C 34 60.180 58.800 1.380 1
1 409 . 18 1 1 A 34 34 VAL CB C 34 32.686 35.254 -2.568 1
1 412 . 18 1 1 A 34 34 VAL N N 34 114.683 117.012 -2.329 1
1 413 . 18 1 1 A 35 35 ALA HA H 35 3.745 3.871 -0.126 1
1 417 . 18 1 1 A 35 35 ALA C C 35 180.114 179.694 0.420 1
1 418 . 18 1 1 A 35 35 ALA CA C 35 56.618 55.670 0.948 1
1 419 . 18 1 1 A 35 35 ALA CB C 35 18.334 18.076 0.258 1
1 420 . 18 1 1 A 36 36 SER H H 36 8.841 8.052 0.789 1
1 421 . 18 1 1 A 36 36 SER HA H 36 4.140 4.131 0.009 1
1 424 . 18 1 1 A 36 36 SER C C 36 177.291 176.672 0.619 1
1 425 . 18 1 1 A 36 36 SER CA C 36 61.250 60.944 0.306 1
1 426 . 18 1 1 A 36 36 SER CB C 36 61.673 62.897 -1.224 1
1 427 . 18 1 1 A 36 36 SER N N 36 111.913 113.132 -1.219 1
1 428 . 18 1 1 A 37 37 ARG H H 37 7.183 7.660 -0.477 1
1 429 . 18 1 1 A 37 37 ARG HA H 37 4.349 4.228 0.121 1
1 436 . 18 1 1 A 37 37 ARG C C 37 177.816 178.634 -0.818 1
1 437 . 18 1 1 A 37 37 ARG CA C 37 58.944 58.847 0.097 1
1 438 . 18 1 1 A 37 37 ARG CB C 37 31.009 29.796 1.213 1
1 441 . 18 1 1 A 37 37 ARG N N 37 123.504 121.664 1.840 1
1 442 . 18 1 1 A 38 38 LYS H H 38 7.514 7.957 -0.443 1
1 443 . 18 1 1 A 38 38 LYS HA H 38 3.592 3.336 0.256 1
1 452 . 18 1 1 A 38 38 LYS C C 38 178.935 179.079 -0.144 1
1 453 . 18 1 1 A 38 38 LYS CA C 38 59.846 59.011 0.835 1
1 454 . 18 1 1 A 38 38 LYS CB C 38 33.310 31.581 1.729 1
1 458 . 18 1 1 A 38 38 LYS N N 38 118.200 119.498 -1.298 1
1 459 . 18 1 1 A 39 39 ALA H H 39 8.131 8.182 -0.051 1
1 460 . 18 1 1 A 39 39 ALA HA H 39 3.865 4.047 -0.182 1
1 464 . 18 1 1 A 39 39 ALA C C 39 178.995 180.182 -1.187 1
1 465 . 18 1 1 A 39 39 ALA CA C 39 55.093 54.830 0.263 1
1 466 . 18 1 1 A 39 39 ALA CB C 39 18.124 17.964 0.160 1
1 467 . 18 1 1 A 39 39 ALA N N 39 117.547 122.242 -4.695 1
1 468 . 18 1 1 A 40 40 ALA H H 40 7.375 7.678 -0.303 1
1 469 . 18 1 1 A 40 40 ALA HA H 40 4.134 4.127 0.007 1
1 473 . 18 1 1 A 40 40 ALA C C 40 179.512 180.285 -0.773 1
1 474 . 18 1 1 A 40 40 ALA CA C 40 55.506 55.436 0.070 1
1 475 . 18 1 1 A 40 40 ALA CB C 40 18.473 18.238 0.235 1
1 476 . 18 1 1 A 40 40 ALA N N 40 119.346 120.934 -1.588 1
1 477 . 18 1 1 A 41 41 VAL H H 41 7.382 7.728 -0.346 1
1 478 . 18 1 1 A 41 41 VAL HA H 41 3.642 3.811 -0.169 1
1 486 . 18 1 1 A 41 41 VAL C C 41 177.423 178.328 -0.905 1
1 487 . 18 1 1 A 41 41 VAL CA C 41 67.279 66.969 0.310 1
1 488 . 18 1 1 A 41 41 VAL CB C 41 32.149 31.792 0.357 1
1 491 . 18 1 1 A 41 41 VAL N N 41 116.434 118.991 -2.557 1
1 492 . 18 1 1 A 42 42 VAL H H 42 8.332 8.395 -0.063 1
1 493 . 18 1 1 A 42 42 VAL HA H 42 3.723 4.173 -0.450 1
1 501 . 18 1 1 A 42 42 VAL C C 42 178.381 177.797 0.584 1
1 502 . 18 1 1 A 42 42 VAL CA C 42 67.698 65.380 2.318 1
1 503 . 18 1 1 A 42 42 VAL CB C 42 32.170 31.242 0.928 1
1 506 . 18 1 1 A 42 42 VAL N N 42 118.061 120.435 -2.374 1
1 507 . 18 1 1 A 43 43 LYS H H 43 8.973 8.150 0.823 1
1 508 . 18 1 1 A 43 43 LYS HA H 43 3.977 3.998 -0.021 1
1 517 . 18 1 1 A 43 43 LYS C C 43 177.830 179.219 -1.389 1
1 518 . 18 1 1 A 43 43 LYS CA C 43 60.343 59.432 0.911 1
1 519 . 18 1 1 A 43 43 LYS CB C 43 32.863 32.264 0.599 1
1 523 . 18 1 1 A 43 43 LYS N N 43 118.026 122.571 -4.545 1
1 524 . 18 1 1 A 44 44 ALA H H 44 7.959 7.766 0.193 1
1 525 . 18 1 1 A 44 44 ALA HA H 44 3.968 4.077 -0.109 1
1 529 . 18 1 1 A 44 44 ALA C C 44 178.921 179.837 -0.916 1
1 530 . 18 1 1 A 44 44 ALA CA C 44 55.324 55.235 0.089 1
1 531 . 18 1 1 A 44 44 ALA CB C 44 19.816 18.456 1.360 1
1 532 . 18 1 1 A 44 44 ALA N N 44 119.893 122.295 -2.402 1
1 533 . 18 1 1 A 45 45 VAL H H 45 7.789 7.746 0.043 1
1 534 . 18 1 1 A 45 45 VAL HA H 45 4.494 4.079 0.415 1
1 542 . 18 1 1 A 45 45 VAL C C 45 180.590 178.277 2.313 1
1 543 . 18 1 1 A 45 45 VAL CA C 45 64.383 66.972 -2.589 1
1 544 . 18 1 1 A 45 45 VAL CB C 45 32.456 31.415 1.041 1
1 547 . 18 1 1 A 45 45 VAL N N 45 118.569 117.859 0.710 1
1 548 . 18 1 1 A 46 46 ILE H H 46 8.945 8.158 0.787 1
1 549 . 18 1 1 A 46 46 ILE HA H 46 3.689 3.723 -0.034 1
1 559 . 18 1 1 A 46 46 ILE C C 46 178.437 177.429 1.008 1
1 560 . 18 1 1 A 46 46 ILE CA C 46 65.391 64.165 1.226 1
1 561 . 18 1 1 A 46 46 ILE CB C 46 38.182 37.056 1.126 1
1 565 . 18 1 1 A 46 46 ILE N N 46 121.331 119.069 2.262 1
1 566 . 18 1 1 A 47 47 HIS H H 47 8.030 7.510 0.520 1
1 567 . 18 1 1 A 47 47 HIS HA H 47 4.663 4.584 0.079 1
1 572 . 18 1 1 A 47 47 HIS C C 47 175.308 175.400 -0.092 1
1 573 . 18 1 1 A 47 47 HIS CA C 47 56.736 55.974 0.762 1
1 574 . 18 1 1 A 47 47 HIS CB C 47 29.482 29.960 -0.478 1
1 577 . 18 1 1 A 47 47 HIS N N 47 113.700 117.716 -4.016 1
1 578 . 18 1 1 A 48 48 GLY H H 48 7.543 7.770 -0.227 1
1 579 . 18 1 1 A 48 48 GLY HA2 H 48 4.026 3.880 0.146 1
1 580 . 18 1 1 A 48 48 GLY HA3 H 48 3.904 3.892 0.012 1
1 581 . 18 1 1 A 48 48 GLY C C 48 175.172 175.141 0.031 1
1 582 . 18 1 1 A 48 48 GLY CA C 48 46.740 45.658 1.082 1
1 583 . 18 1 1 A 48 48 GLY N N 48 106.113 107.520 -1.407 1
1 584 . 18 1 1 A 49 49 LEU H H 49 8.803 7.831 0.972 1
1 585 . 18 1 1 A 49 49 LEU HA H 49 4.090 4.025 0.065 1
1 595 . 18 1 1 A 49 49 LEU C C 49 176.111 176.392 -0.281 1
1 596 . 18 1 1 A 49 49 LEU CA C 49 57.575 58.045 -0.470 1
1 597 . 18 1 1 A 49 49 LEU CB C 49 42.969 42.535 0.434 1
1 601 . 18 1 1 A 49 49 LEU N N 49 122.636 121.952 0.684 1
1 602 . 18 1 1 A 50 50 ILE H H 50 7.257 7.300 -0.043 1
1 603 . 18 1 1 A 50 50 ILE HA H 50 4.689 4.998 -0.309 1
1 613 . 18 1 1 A 50 50 ILE C C 50 174.994 174.992 0.002 1
1 614 . 18 1 1 A 50 50 ILE CA C 50 58.262 58.901 -0.639 1
1 615 . 18 1 1 A 50 50 ILE CB C 50 41.641 40.968 0.673 1
1 619 . 18 1 1 A 50 50 ILE N N 50 107.650 114.466 -6.816 1
1 620 . 18 1 1 A 51 51 THR H H 51 8.677 7.973 0.704 1
1 621 . 18 1 1 A 51 51 THR HA H 51 4.466 4.524 -0.058 1
1 627 . 18 1 1 A 51 51 THR C C 51 175.227 175.673 -0.446 1
1 628 . 18 1 1 A 51 51 THR CA C 51 60.728 60.956 -0.228 1
1 629 . 18 1 1 A 51 51 THR CB C 51 71.216 70.132 1.084 1
1 631 . 18 1 1 A 51 51 THR N N 51 111.798 117.455 -5.657 1
1 632 . 18 1 1 A 52 52 GLU H H 52 9.034 8.927 0.107 1
1 633 . 18 1 1 A 52 52 GLU HA H 52 3.507 3.564 -0.057 1
1 638 . 18 1 1 A 52 52 GLU C C 52 177.287 178.063 -0.776 1
1 639 . 18 1 1 A 52 52 GLU CA C 52 60.515 59.779 0.736 1
1 640 . 18 1 1 A 52 52 GLU CB C 52 29.418 28.910 0.508 1
1 642 . 18 1 1 A 52 52 GLU N N 52 122.067 128.141 -6.074 1
1 643 . 18 1 1 A 53 53 ARG H H 53 8.213 7.578 0.635 1
1 644 . 18 1 1 A 53 53 ARG HA H 53 3.740 3.992 -0.252 1
1 652 . 18 1 1 A 53 53 ARG C C 53 177.698 178.496 -0.798 1
1 653 . 18 1 1 A 53 53 ARG CA C 53 58.635 59.253 -0.618 1
1 654 . 18 1 1 A 53 53 ARG CB C 53 30.257 29.829 0.428 1
1 658 . 18 1 1 A 53 53 ARG N N 53 116.853 119.116 -2.263 1
1 660 . 18 1 1 A 54 54 GLU H H 54 7.747 7.885 -0.138 1
1 661 . 18 1 1 A 54 54 GLU HA H 54 3.978 4.034 -0.056 1
1 666 . 18 1 1 A 54 54 GLU C C 54 178.915 178.305 0.610 1
1 667 . 18 1 1 A 54 54 GLU CA C 54 59.312 59.433 -0.121 1
1 668 . 18 1 1 A 54 54 GLU CB C 54 29.678 29.420 0.258 1
1 670 . 18 1 1 A 54 54 GLU N N 54 118.040 119.148 -1.108 1
1 671 . 18 1 1 A 55 55 ALA H H 55 7.932 7.896 0.036 1
1 672 . 18 1 1 A 55 55 ALA HA H 55 3.694 4.113 -0.419 1
1 676 . 18 1 1 A 55 55 ALA C C 55 178.383 180.137 -1.754 1
1 677 . 18 1 1 A 55 55 ALA CA C 55 55.871 55.224 0.647 1
1 678 . 18 1 1 A 55 55 ALA CB C 55 17.664 17.861 -0.197 1
1 679 . 18 1 1 A 55 55 ALA N N 55 122.121 121.610 0.511 1
1 680 . 18 1 1 A 56 56 LEU H H 56 8.110 8.180 -0.070 1
1 681 . 18 1 1 A 56 56 LEU HA H 56 3.605 3.907 -0.302 1
1 691 . 18 1 1 A 56 56 LEU C C 56 180.273 179.265 1.008 1
1 692 . 18 1 1 A 56 56 LEU CA C 56 58.167 57.718 0.449 1
1 693 . 18 1 1 A 56 56 LEU CB C 56 39.563 41.075 -1.512 1
1 697 . 18 1 1 A 56 56 LEU N N 56 114.908 118.608 -3.700 1
1 698 . 18 1 1 A 57 57 ASP H H 57 8.080 7.971 0.109 1
1 699 . 18 1 1 A 57 57 ASP HA H 57 4.353 4.286 0.067 1
1 702 . 18 1 1 A 57 57 ASP C C 57 179.121 178.329 0.792 1
1 703 . 18 1 1 A 57 57 ASP CA C 57 56.644 57.432 -0.788 1
1 704 . 18 1 1 A 57 57 ASP CB C 57 40.909 41.172 -0.263 1
1 705 . 18 1 1 A 57 57 ASP N N 57 117.019 119.560 -2.541 1
1 706 . 18 1 1 A 58 58 ARG H H 58 8.584 8.544 0.040 1
1 707 . 18 1 1 A 58 58 ARG HA H 58 3.728 3.989 -0.261 1
1 715 . 18 1 1 A 58 58 ARG C C 58 177.362 176.769 0.593 1
1 716 . 18 1 1 A 58 58 ARG CA C 58 59.141 58.660 0.481 1
1 717 . 18 1 1 A 58 58 ARG CB C 58 30.462 29.832 0.630 1
1 720 . 18 1 1 A 58 58 ARG N N 58 119.926 117.800 2.126 1
1 722 . 18 1 1 A 59 59 TYR H H 59 7.133 7.384 -0.251 1
1 723 . 18 1 1 A 59 59 TYR HA H 59 5.018 4.743 0.275 1
1 730 . 18 1 1 A 59 59 TYR C C 59 173.865 174.777 -0.912 1
1 731 . 18 1 1 A 59 59 TYR CA C 59 57.348 57.849 -0.501 1
1 732 . 18 1 1 A 59 59 TYR CB C 59 38.052 39.542 -1.490 1
1 737 . 18 1 1 A 59 59 TYR N N 59 111.796 118.201 -6.405 1
1 738 . 18 1 1 A 60 60 SER H H 60 7.542 8.013 -0.471 1
1 739 . 18 1 1 A 60 60 SER HA H 60 4.082 4.154 -0.072 1
1 742 . 18 1 1 A 60 60 SER C C 60 176.402 173.065 3.337 1
1 743 . 18 1 1 A 60 60 SER CA C 60 58.482 59.066 -0.584 1
1 744 . 18 1 1 A 60 60 SER CB C 60 61.229 61.353 -0.124 1
1 745 . 18 1 1 A 60 60 SER N N 60 114.624 112.723 1.901 1
1 746 . 18 1 1 A 61 61 LEU H H 61 8.228 8.114 0.114 1
1 747 . 18 1 1 A 61 61 LEU HA H 61 4.583 4.820 -0.237 1
1 757 . 18 1 1 A 61 61 LEU C C 61 176.463 176.221 0.242 1
1 758 . 18 1 1 A 61 61 LEU CA C 61 52.478 53.646 -1.168 1
1 759 . 18 1 1 A 61 61 LEU CB C 61 45.873 44.902 0.971 1
1 763 . 18 1 1 A 61 61 LEU N N 61 119.424 121.259 -1.835 1
1 764 . 18 1 1 A 62 62 SER H H 62 8.376 8.871 -0.495 1
1 765 . 18 1 1 A 62 62 SER HA H 62 4.555 4.635 -0.080 1
1 768 . 18 1 1 A 62 62 SER C C 62 175.088 175.716 -0.628 1
1 769 . 18 1 1 A 62 62 SER CA C 62 56.123 57.289 -1.166 1
1 770 . 18 1 1 A 62 62 SER CB C 62 65.560 65.030 0.530 1
1 771 . 18 1 1 A 62 62 SER N N 62 115.890 118.555 -2.665 1
1 772 . 18 1 1 A 63 63 GLU H H 63 9.204 9.135 0.069 1
1 773 . 18 1 1 A 63 63 GLU HA H 63 3.806 3.894 -0.088 1
1 778 . 18 1 1 A 63 63 GLU C C 63 179.412 178.128 1.284 1
1 779 . 18 1 1 A 63 63 GLU CA C 63 60.338 59.617 0.721 1
1 780 . 18 1 1 A 63 63 GLU CB C 63 29.354 29.358 -0.004 1
1 782 . 18 1 1 A 63 63 GLU N N 63 122.263 124.065 -1.802 1
1 783 . 18 1 1 A 64 64 GLU H H 64 8.859 8.525 0.334 1
1 784 . 18 1 1 A 64 64 GLU HA H 64 3.969 4.033 -0.064 1
1 789 . 18 1 1 A 64 64 GLU C C 64 178.700 178.812 -0.112 1
1 790 . 18 1 1 A 64 64 GLU CA C 64 59.822 58.763 1.059 1
1 791 . 18 1 1 A 64 64 GLU CB C 64 29.210 28.637 0.573 1
1 793 . 18 1 1 A 64 64 GLU N N 64 119.056 117.510 1.546 1
1 794 . 18 1 1 A 65 65 GLU H H 65 7.864 7.746 0.118 1
1 795 . 18 1 1 A 65 65 GLU HA H 65 3.960 3.959 0.001 1
1 800 . 18 1 1 A 65 65 GLU C C 65 177.783 178.516 -0.733 1
1 801 . 18 1 1 A 65 65 GLU CA C 65 58.817 59.233 -0.416 1
1 802 . 18 1 1 A 65 65 GLU CB C 65 29.452 29.307 0.145 1
1 804 . 18 1 1 A 65 65 GLU N N 65 121.783 120.649 1.134 1
1 805 . 18 1 1 A 66 66 PHE H H 66 7.918 7.481 0.437 1
1 806 . 18 1 1 A 66 66 PHE HA H 66 3.294 3.477 -0.183 1
1 814 . 18 1 1 A 66 66 PHE C C 66 177.021 177.687 -0.666 1
1 815 . 18 1 1 A 66 66 PHE CA C 66 61.197 61.072 0.125 1
1 816 . 18 1 1 A 66 66 PHE CB C 66 39.279 39.156 0.123 1
1 820 . 18 1 1 A 66 66 PHE N N 66 117.902 119.724 -1.822 1
1 821 . 18 1 1 A 67 67 ALA H H 67 8.011 8.339 -0.328 1
1 822 . 18 1 1 A 67 67 ALA HA H 67 3.839 3.870 -0.031 1
1 826 . 18 1 1 A 67 67 ALA C C 67 181.069 179.764 1.305 1
1 827 . 18 1 1 A 67 67 ALA CA C 67 55.296 55.096 0.200 1
1 828 . 18 1 1 A 67 67 ALA CB C 67 17.648 18.080 -0.432 1
1 829 . 18 1 1 A 67 67 ALA N N 67 119.951 121.139 -1.188 1
1 830 . 18 1 1 A 68 68 LEU H H 68 7.431 7.785 -0.354 1
1 831 . 18 1 1 A 68 68 LEU HA H 68 4.162 3.905 0.257 1
1 841 . 18 1 1 A 68 68 LEU C C 68 180.631 179.351 1.280 1
1 842 . 18 1 1 A 68 68 LEU CA C 68 57.621 57.833 -0.212 1
1 843 . 18 1 1 A 68 68 LEU CB C 68 41.083 42.163 -1.080 1
1 847 . 18 1 1 A 68 68 LEU N N 68 119.888 118.764 1.124 1
1 848 . 18 1 1 A 69 69 TRP H H 69 8.288 8.166 0.122 1
1 849 . 18 1 1 A 69 69 TRP HA H 69 4.341 4.215 0.126 1
1 858 . 18 1 1 A 69 69 TRP C C 69 179.178 179.357 -0.179 1
1 859 . 18 1 1 A 69 69 TRP CA C 69 59.228 60.288 -1.060 1
1 860 . 18 1 1 A 69 69 TRP CB C 69 28.387 28.699 -0.312 1
1 866 . 18 1 1 A 69 69 TRP N N 69 122.616 118.735 3.881 1
1 868 . 18 1 1 A 70 70 ARG H H 70 8.291 8.201 0.090 1
1 869 . 18 1 1 A 70 70 ARG HA H 70 3.743 3.965 -0.222 1
1 877 . 18 1 1 A 70 70 ARG C C 70 178.811 178.216 0.595 1
1 878 . 18 1 1 A 70 70 ARG CA C 70 59.614 58.348 1.266 1
1 879 . 18 1 1 A 70 70 ARG CB C 70 30.171 29.160 1.011 1
1 882 . 18 1 1 A 70 70 ARG N N 70 117.864 118.163 -0.299 1
1 884 . 18 1 1 A 71 71 SER H H 71 8.000 7.601 0.399 1
1 885 . 18 1 1 A 71 71 SER HA H 71 4.212 4.192 0.020 1
1 888 . 18 1 1 A 71 71 SER C C 71 176.074 176.041 0.033 1
1 889 . 18 1 1 A 71 71 SER CA C 71 61.074 61.981 -0.907 1
1 890 . 18 1 1 A 71 71 SER CB C 71 62.891 63.320 -0.429 1
1 891 . 18 1 1 A 71 71 SER N N 71 114.582 117.650 -3.068 1
1 892 . 18 1 1 A 72 72 ALA H H 72 7.816 8.091 -0.275 1
1 893 . 18 1 1 A 72 72 ALA HA H 72 4.230 4.097 0.133 1
1 897 . 18 1 1 A 72 72 ALA C C 72 179.631 180.139 -0.508 1
1 898 . 18 1 1 A 72 72 ALA CA C 72 54.245 54.970 -0.725 1
1 899 . 18 1 1 A 72 72 ALA CB C 72 18.687 18.382 0.305 1
1 900 . 18 1 1 A 72 72 ALA N N 72 124.141 123.457 0.684 1
1 901 . 18 1 1 A 73 73 VAL H H 73 7.728 7.636 0.092 1
1 902 . 18 1 1 A 73 73 VAL HA H 73 3.850 3.708 0.142 1
1 910 . 18 1 1 A 73 73 VAL C C 73 177.286 177.986 -0.700 1
1 911 . 18 1 1 A 73 73 VAL CA C 73 64.163 66.097 -1.934 1
1 912 . 18 1 1 A 73 73 VAL CB C 73 32.466 31.760 0.706 1
1 915 . 18 1 1 A 73 73 VAL N N 73 117.289 118.167 -0.878 1
1 916 . 18 1 1 A 74 74 ALA H H 74 7.960 8.126 -0.166 1
1 917 . 18 1 1 A 74 74 ALA HA H 74 4.195 4.072 0.123 1
1 921 . 18 1 1 A 74 74 ALA C C 74 178.318 180.392 -2.074 1
1 922 . 18 1 1 A 74 74 ALA CA C 74 53.559 55.496 -1.937 1
1 923 . 18 1 1 A 74 74 ALA CB C 74 18.612 18.065 0.547 1
1 924 . 18 1 1 A 74 74 ALA N N 74 123.977 122.189 1.788 1
1 925 . 18 1 1 A 75 75 ALA H H 75 7.889 8.239 -0.350 1
1 926 . 18 1 1 A 75 75 ALA HA H 75 4.214 4.506 -0.292 1
1 930 . 18 1 1 A 75 75 ALA C C 75 178.233 179.066 -0.833 1
1 931 . 18 1 1 A 75 75 ALA CA C 75 53.242 54.266 -1.024 1
1 932 . 18 1 1 A 75 75 ALA CB C 75 18.812 18.273 0.539 1
1 933 . 18 1 1 A 75 75 ALA N N 75 120.956 120.408 0.548 1
1 934 . 18 1 1 A 76 76 HIS H H 76 8.057 7.738 0.319 1
1 935 . 18 1 1 A 76 76 HIS HA H 76 4.585 4.303 0.282 1
1 939 . 18 1 1 A 76 76 HIS C C 76 176.217 177.088 -0.871 1
1 940 . 18 1 1 A 76 76 HIS CA C 76 56.644 58.345 -1.701 1
1 941 . 18 1 1 A 76 76 HIS CB C 76 30.282 30.355 -0.073 1
1 943 . 18 1 1 A 76 76 HIS N N 76 117.302 119.408 -2.106 1
1 944 . 18 1 1 A 77 77 GLY H H 77 8.229 7.827 0.402 1
1 945 . 18 1 1 A 77 77 GLY HA2 H 77 3.951 3.978 -0.027 1
1 946 . 18 1 1 A 77 77 GLY HA3 H 77 3.951 3.984 -0.033 1
1 947 . 18 1 1 A 77 77 GLY C C 77 174.415 174.879 -0.464 1
1 948 . 18 1 1 A 77 77 GLY CA C 77 45.560 45.715 -0.155 1
1 949 . 18 1 1 A 77 77 GLY N N 77 109.118 106.000 3.118 1
1 950 . 18 1 1 A 78 78 GLU H H 78 8.335 8.162 0.173 1
1 951 . 18 1 1 A 78 78 GLU HA H 78 4.210 4.979 -0.769 1
1 956 . 18 1 1 A 78 78 GLU C C 78 177.052 177.084 -0.032 1
1 957 . 18 1 1 A 78 78 GLU CA C 78 56.836 56.240 0.596 1
1 958 . 18 1 1 A 78 78 GLU CB C 78 30.136 28.355 1.781 1
1 960 . 18 1 1 A 78 78 GLU N N 78 120.947 117.664 3.283 1
1 961 . 18 1 1 A 79 79 LYS H H 79 8.299 8.108 0.191 1
1 962 . 18 1 1 A 79 79 LYS HA H 79 4.205 4.447 -0.242 1
1 971 . 18 1 1 A 79 79 LYS C C 79 176.656 176.022 0.634 1
1 972 . 18 1 1 A 79 79 LYS CA C 79 57.057 57.009 0.048 1
1 973 . 18 1 1 A 79 79 LYS CB C 79 32.811 33.120 -0.309 1
1 977 . 18 1 1 A 79 79 LYS N N 79 121.638 117.622 4.016 1
1 978 . 18 1 1 A 80 80 ALA H H 80 8.142 7.486 0.656 1
1 979 . 18 1 1 A 80 80 ALA HA H 80 4.245 4.700 -0.455 1
1 983 . 18 1 1 A 80 80 ALA C C 80 177.868 176.030 1.838 1
1 984 . 18 1 1 A 80 80 ALA CA C 80 52.706 50.913 1.793 1
1 985 . 18 1 1 A 80 80 ALA CB C 80 19.117 20.406 -1.289 1
1 986 . 18 1 1 A 80 80 ALA N N 80 123.770 122.263 1.507 1
1 987 . 18 1 1 A 81 81 LEU H H 81 8.040 8.969 -0.929 1
1 988 . 18 1 1 A 81 81 LEU HA H 81 4.245 4.936 -0.691 1
1 998 . 18 1 1 A 81 81 LEU C C 81 177.434 176.108 1.326 1
1 999 . 18 1 1 A 81 81 LEU CA C 81 55.673 54.332 1.341 1
1 1000 . 18 1 1 A 81 81 LEU CB C 81 42.160 41.623 0.537 1
1 1004 . 18 1 1 A 81 81 LEU N N 81 120.893 124.663 -3.770 1
1 1005 . 18 1 1 A 82 82 LYS H H 82 8.178 8.520 -0.342 1
1 1006 . 18 1 1 A 82 82 LYS HA H 82 4.283 4.201 0.082 1
1 1015 . 18 1 1 A 82 82 LYS C C 82 176.810 177.837 -1.027 1
1 1016 . 18 1 1 A 82 82 LYS CA C 82 56.715 56.611 0.104 1
1 1017 . 18 1 1 A 82 82 LYS CB C 82 32.846 33.811 -0.965 1
1 1021 . 18 1 1 A 82 82 LYS N N 82 121.957 125.170 -3.213 1
1 1022 . 18 1 1 A 83 83 VAL H H 83 8.123 8.551 -0.428 1
1 1023 . 18 1 1 A 83 83 VAL HA H 83 4.093 3.924 0.169 1
1 1031 . 18 1 1 A 83 83 VAL C C 83 176.604 177.241 -0.637 1
1 1032 . 18 1 1 A 83 83 VAL CA C 83 62.964 65.313 -2.349 1
1 1033 . 18 1 1 A 83 83 VAL CB C 83 32.742 31.815 0.927 1
1 1036 . 18 1 1 A 83 83 VAL N N 83 121.150 127.326 -6.176 1
1 1037 . 18 1 1 A 84 84 THR H H 84 8.162 7.522 0.640 1
1 1038 . 18 1 1 A 84 84 THR HA H 84 4.276 4.343 -0.067 1
1 1043 . 18 1 1 A 84 84 THR C C 84 174.773 175.268 -0.495 1
1 1044 . 18 1 1 A 84 84 THR CA C 84 62.558 62.616 -0.058 1
1 1045 . 18 1 1 A 84 84 THR CB C 84 69.726 69.028 0.698 1
1 1047 . 18 1 1 A 84 84 THR N N 84 117.587 114.861 2.726 1
1 1048 . 18 1 1 A 85 85 MET H H 85 8.353 7.983 0.370 1
1 1049 . 18 1 1 A 85 85 MET HA H 85 4.448 4.142 0.306 1
1 1054 . 18 1 1 A 85 85 MET C C 85 176.518 178.074 -1.556 1
1 1055 . 18 1 1 A 85 85 MET CA C 85 56.074 57.367 -1.293 1
1 1056 . 18 1 1 A 85 85 MET CB C 85 32.837 32.615 0.222 1
1 1058 . 18 1 1 A 85 85 MET N N 85 122.707 120.770 1.937 1
1 1059 . 18 1 1 A 86 86 ILE H H 86 8.113 7.977 0.136 1
1 1060 . 18 1 1 A 86 86 ILE HA H 86 4.061 3.784 0.277 1
1 1070 . 18 1 1 A 86 86 ILE C C 86 176.712 177.920 -1.208 1
1 1071 . 18 1 1 A 86 86 ILE CA C 86 62.006 65.042 -3.036 1
1 1072 . 18 1 1 A 86 86 ILE CB C 86 38.402 37.570 0.832 1
1 1076 . 18 1 1 A 86 86 ILE N N 86 121.834 119.374 2.460 1
1 1077 . 18 1 1 A 87 87 GLN H H 87 8.328 8.166 0.162 1
1 1078 . 18 1 1 A 87 87 GLN HA H 87 4.190 3.963 0.227 1
1 1085 . 18 1 1 A 87 87 GLN C C 87 176.617 178.651 -2.034 1
1 1086 . 18 1 1 A 87 87 GLN CA C 87 56.798 59.187 -2.389 1
1 1087 . 18 1 1 A 87 87 GLN CB C 87 29.044 28.109 0.935 1
1 1089 . 18 1 1 A 87 87 GLN N N 87 123.529 120.499 3.030 1
1 1091 . 18 1 1 A 88 88 LYS H H 88 8.232 7.818 0.414 1
1 1092 . 18 1 1 A 88 88 LYS HA H 88 4.133 4.063 0.070 1
1 1101 . 18 1 1 A 88 88 LYS C C 88 176.983 179.337 -2.354 1
1 1102 . 18 1 1 A 88 88 LYS CA C 88 57.289 58.600 -1.311 1
1 1103 . 18 1 1 A 88 88 LYS CB C 88 32.806 32.121 0.685 1
1 1107 . 18 1 1 A 88 88 LYS N N 88 121.677 118.880 2.797 1
1 1108 . 18 1 1 A 89 89 TYR H H 89 8.086 7.765 0.321 1
1 1109 . 18 1 1 A 89 89 TYR HA H 89 4.492 4.279 0.213 1
1 1116 . 18 1 1 A 89 89 TYR C C 89 176.250 178.581 -2.331 1
1 1117 . 18 1 1 A 89 89 TYR CA C 89 58.546 60.619 -2.073 1
1 1118 . 18 1 1 A 89 89 TYR CB C 89 38.410 38.025 0.385 1
1 1123 . 18 1 1 A 89 89 TYR N N 89 119.993 119.476 0.517 1
1 1124 . 18 1 1 A 90 90 ARG H H 90 8.127 8.192 -0.065 1
1 1125 . 18 1 1 A 90 90 ARG HA H 90 4.119 4.315 -0.196 1
1 1132 . 18 1 1 A 90 90 ARG C C 90 176.628 177.814 -1.186 1
1 1133 . 18 1 1 A 90 90 ARG CA C 90 57.085 58.606 -1.521 1
1 1134 . 18 1 1 A 90 90 ARG CB C 90 30.568 30.272 0.296 1
1 1137 . 18 1 1 A 90 90 ARG N N 90 121.679 119.327 2.352 1
1 1138 . 18 1 1 A 91 91 GLN H H 91 8.232 8.127 0.105 1
1 1139 . 18 1 1 A 91 91 GLN HA H 91 4.179 4.396 -0.217 1
1 1146 . 18 1 1 A 91 91 GLN C C 91 176.491 175.349 1.142 1
1 1147 . 18 1 1 A 91 91 GLN CA C 91 56.800 55.771 1.029 1
1 1148 . 18 1 1 A 91 91 GLN CB C 91 29.129 28.587 0.542 1
1 1150 . 18 1 1 A 91 91 GLN N N 91 120.420 115.143 5.277 1
1 1152 . 18 1 1 A 92 92 LEU H H 92 8.118 7.429 0.689 1
1 1153 . 18 1 1 A 92 92 LEU HA H 92 4.269 4.680 -0.411 1
1 1162 . 18 1 1 A 92 92 LEU C C 92 177.632 175.212 2.420 1
1 1163 . 18 1 1 A 92 92 LEU CA C 92 55.419 53.836 1.583 1
1 1164 . 18 1 1 A 92 92 LEU CB C 92 42.238 43.422 -1.184 1
1 1167 . 18 1 1 A 92 92 LEU N N 92 122.670 122.573 0.097 1
1 1168 . 18 1 1 A 93 93 HIS H H 93 8.049 8.997 -0.948 1
1 1169 . 18 1 1 A 93 93 HIS HA H 93 4.228 4.932 -0.704 1
1 1172 . 18 1 1 A 93 93 HIS C C 93 177.608 174.600 3.008 1
1 1173 . 18 1 1 A 93 93 HIS CA C 93 55.512 54.885 0.627 1
1 1174 . 18 1 1 A 93 93 HIS CB C 93 42.238 30.948 11.290 1
1 1175 . 18 1 1 A 93 93 HIS N N 93 121.742 127.453 -5.711 1
1 1176 . 18 1 1 A 94 94 HIS H H 94 8.153 8.855 -0.702 1
1 1177 . 18 1 1 A 94 94 HIS HA H 94 4.141 4.469 -0.328 1
1 1180 . 18 1 1 A 94 94 HIS CA C 94 56.804 57.552 -0.748 1
1 1181 . 18 1 1 A 94 94 HIS CB C 94 30.254 30.878 -0.624 1
1 1182 . 18 1 1 A 94 94 HIS N N 94 120.504 125.735 -5.231 1
1 1 . 19 1 1 A 2 2 TYR HA H 2 4.593 4.258 0.335 1
1 8 . 19 1 1 A 2 2 TYR C C 2 174.805 176.997 -2.192 1
1 9 . 19 1 1 A 2 2 TYR CA C 2 57.884 61.221 -3.337 1
1 10 . 19 1 1 A 2 2 TYR CB C 2 38.790 38.913 -0.123 1
1 15 . 19 1 1 A 3 3 LEU H H 3 8.189 8.099 0.090 1
1 16 . 19 1 1 A 3 3 LEU HA H 3 4.268 4.336 -0.068 1
1 25 . 19 1 1 A 3 3 LEU C C 3 176.110 176.416 -0.306 1
1 26 . 19 1 1 A 3 3 LEU CA C 3 54.574 54.103 0.471 1
1 27 . 19 1 1 A 3 3 LEU CB C 3 42.796 41.707 1.089 1
1 30 . 19 1 1 A 3 3 LEU N N 3 126.201 118.204 7.997 1
1 31 . 19 1 1 A 4 4 LYS H H 4 8.132 8.252 -0.120 1
1 32 . 19 1 1 A 4 4 LYS HA H 4 4.336 4.317 0.019 1
1 35 . 19 1 1 A 4 4 LYS C C 4 175.828 175.529 0.299 1
1 36 . 19 1 1 A 4 4 LYS CA C 4 56.186 57.020 -0.834 1
1 37 . 19 1 1 A 4 4 LYS CB C 4 33.084 32.179 0.905 1
1 38 . 19 1 1 A 4 4 LYS N N 4 123.332 117.998 5.334 1
1 39 . 19 1 1 A 5 5 ARG H H 5 8.537 8.868 -0.331 1
1 40 . 19 1 1 A 5 5 ARG HA H 5 4.327 4.238 0.089 1
1 47 . 19 1 1 A 5 5 ARG C C 5 176.158 174.991 1.167 1
1 48 . 19 1 1 A 5 5 ARG CA C 5 56.076 57.216 -1.140 1
1 49 . 19 1 1 A 5 5 ARG CB C 5 31.028 29.838 1.190 1
1 52 . 19 1 1 A 5 5 ARG N N 5 124.828 122.247 2.581 1
1 53 . 19 1 1 A 6 6 VAL H H 6 8.344 8.638 -0.294 1
1 54 . 19 1 1 A 6 6 VAL HA H 6 4.154 4.042 0.112 1
1 62 . 19 1 1 A 6 6 VAL C C 6 175.662 175.895 -0.233 1
1 63 . 19 1 1 A 6 6 VAL CA C 6 61.973 63.578 -1.605 1
1 64 . 19 1 1 A 6 6 VAL CB C 6 32.937 32.291 0.646 1
1 66 . 19 1 1 A 6 6 VAL N N 6 122.153 123.798 -1.645 1
1 67 . 19 1 1 A 7 7 ASP H H 7 8.469 8.839 -0.370 1
1 68 . 19 1 1 A 7 7 ASP HA H 7 4.681 4.658 0.023 1
1 71 . 19 1 1 A 7 7 ASP C C 7 176.217 176.193 0.024 1
1 72 . 19 1 1 A 7 7 ASP CA C 7 54.202 55.679 -1.477 1
1 73 . 19 1 1 A 7 7 ASP CB C 7 41.583 41.896 -0.313 1
1 74 . 19 1 1 A 7 7 ASP N N 7 124.555 126.378 -1.823 1
1 75 . 19 1 1 A 8 8 GLY H H 8 8.185 7.919 0.266 1
1 76 . 19 1 1 A 8 8 GLY HA2 H 8 4.184 4.119 0.065 1
1 77 . 19 1 1 A 8 8 GLY HA3 H 8 4.070 4.120 -0.050 1
1 78 . 19 1 1 A 8 8 GLY C C 8 171.436 172.647 -1.211 1
1 79 . 19 1 1 A 8 8 GLY CA C 8 44.634 44.005 0.629 1
1 80 . 19 1 1 A 8 8 GLY N N 8 109.085 107.091 1.994 1
1 81 . 19 1 1 A 9 9 PRO HA H 9 4.510 4.576 -0.066 1
1 88 . 19 1 1 A 9 9 PRO C C 9 176.784 176.653 0.131 1
1 89 . 19 1 1 A 9 9 PRO CA C 9 62.869 63.085 -0.216 1
1 90 . 19 1 1 A 9 9 PRO CB C 9 32.364 32.745 -0.381 1
1 93 . 19 1 1 A 10 10 ARG H H 10 8.761 8.374 0.387 1
1 94 . 19 1 1 A 10 10 ARG HA H 10 4.165 4.314 -0.149 1
1 99 . 19 1 1 A 10 10 ARG C C 10 175.911 176.064 -0.153 1
1 100 . 19 1 1 A 10 10 ARG CA C 10 57.463 57.066 0.397 1
1 101 . 19 1 1 A 10 10 ARG CB C 10 31.030 31.078 -0.048 1
1 103 . 19 1 1 A 10 10 ARG N N 10 120.390 118.927 1.463 1
1 104 . 19 1 1 A 11 11 GLN H H 11 7.790 7.764 0.026 1
1 105 . 19 1 1 A 11 11 GLN HA H 11 5.173 5.069 0.104 1
1 112 . 19 1 1 A 11 11 GLN C C 11 173.893 173.794 0.099 1
1 113 . 19 1 1 A 11 11 GLN CA C 11 54.402 54.858 -0.456 1
1 114 . 19 1 1 A 11 11 GLN CB C 11 31.366 32.150 -0.784 1
1 116 . 19 1 1 A 11 11 GLN N N 11 114.694 116.386 -1.692 1
1 118 . 19 1 1 A 12 12 VAL H H 12 8.803 9.205 -0.402 1
1 119 . 19 1 1 A 12 12 VAL HA H 12 4.625 4.890 -0.265 1
1 127 . 19 1 1 A 12 12 VAL C C 12 173.796 174.171 -0.375 1
1 128 . 19 1 1 A 12 12 VAL CA C 12 60.127 59.755 0.372 1
1 129 . 19 1 1 A 12 12 VAL CB C 12 35.590 35.027 0.563 1
1 132 . 19 1 1 A 12 12 VAL N N 12 115.575 117.677 -2.102 1
1 133 . 19 1 1 A 13 13 THR H H 13 8.553 8.714 -0.161 1
1 134 . 19 1 1 A 13 13 THR HA H 13 4.772 4.781 -0.009 1
1 139 . 19 1 1 A 13 13 THR C C 13 174.526 174.511 0.015 1
1 140 . 19 1 1 A 13 13 THR CA C 13 61.880 62.175 -0.295 1
1 141 . 19 1 1 A 13 13 THR CB C 13 69.319 69.526 -0.207 1
1 143 . 19 1 1 A 13 13 THR N N 13 119.282 119.472 -0.190 1
1 144 . 19 1 1 A 14 14 LEU H H 14 9.254 8.630 0.624 1
1 145 . 19 1 1 A 14 14 LEU HA H 14 4.210 4.132 0.078 1
1 155 . 19 1 1 A 14 14 LEU C C 14 177.361 177.012 0.349 1
1 156 . 19 1 1 A 14 14 LEU CA C 14 54.116 53.428 0.688 1
1 157 . 19 1 1 A 14 14 LEU CB C 14 39.546 41.010 -1.464 1
1 161 . 19 1 1 A 14 14 LEU N N 14 129.147 127.719 1.428 1
1 162 . 19 1 1 A 15 15 PRO HA H 15 4.294 4.320 -0.026 1
1 169 . 19 1 1 A 15 15 PRO C C 15 176.570 177.540 -0.970 1
1 170 . 19 1 1 A 15 15 PRO CA C 15 65.392 64.841 0.551 1
1 171 . 19 1 1 A 15 15 PRO CB C 15 31.808 31.948 -0.140 1
1 174 . 19 1 1 A 16 16 ASP H H 16 7.397 7.905 -0.508 1
1 175 . 19 1 1 A 16 16 ASP HA H 16 4.486 4.712 -0.226 1
1 178 . 19 1 1 A 16 16 ASP C C 16 177.056 176.141 0.915 1
1 179 . 19 1 1 A 16 16 ASP CA C 16 53.157 55.122 -1.965 1
1 180 . 19 1 1 A 16 16 ASP CB C 16 39.987 41.228 -1.241 1
1 181 . 19 1 1 A 16 16 ASP N N 16 113.036 117.389 -4.353 1
1 182 . 19 1 1 A 17 17 GLY H H 17 8.399 7.843 0.556 1
1 183 . 19 1 1 A 17 17 GLY HA2 H 17 4.293 4.021 0.272 1
1 184 . 19 1 1 A 17 17 GLY HA3 H 17 3.481 4.036 -0.555 1
1 185 . 19 1 1 A 17 17 GLY C C 17 174.700 174.657 0.043 1
1 186 . 19 1 1 A 17 17 GLY CA C 17 44.998 44.869 0.129 1
1 187 . 19 1 1 A 17 17 GLY N N 17 108.859 107.495 1.364 1
1 188 . 19 1 1 A 18 18 THR H H 18 8.003 7.620 0.383 1
1 189 . 19 1 1 A 18 18 THR HA H 18 4.151 4.379 -0.228 1
1 194 . 19 1 1 A 18 18 THR C C 18 172.576 173.990 -1.414 1
1 195 . 19 1 1 A 18 18 THR CA C 18 63.144 62.338 0.806 1
1 196 . 19 1 1 A 18 18 THR CB C 18 69.888 69.490 0.398 1
1 198 . 19 1 1 A 18 18 THR N N 18 116.015 116.784 -0.769 1
1 199 . 19 1 1 A 19 19 VAL H H 19 8.384 8.340 0.044 1
1 200 . 19 1 1 A 19 19 VAL HA H 19 4.726 4.747 -0.021 1
1 208 . 19 1 1 A 19 19 VAL C C 19 175.823 173.901 1.922 1
1 209 . 19 1 1 A 19 19 VAL CA C 19 61.491 61.048 0.443 1
1 210 . 19 1 1 A 19 19 VAL CB C 19 33.757 33.559 0.198 1
1 213 . 19 1 1 A 19 19 VAL N N 19 121.723 122.641 -0.918 1
1 214 . 19 1 1 A 20 20 LEU H H 20 8.948 9.203 -0.255 1
1 215 . 19 1 1 A 20 20 LEU HA H 20 4.784 5.097 -0.313 1
1 225 . 19 1 1 A 20 20 LEU C C 20 174.749 176.135 -1.386 1
1 226 . 19 1 1 A 20 20 LEU CA C 20 53.616 53.519 0.097 1
1 227 . 19 1 1 A 20 20 LEU CB C 20 45.062 44.067 0.995 1
1 231 . 19 1 1 A 20 20 LEU N N 20 129.673 130.699 -1.026 1
1 232 . 19 1 1 A 21 21 SER H H 21 9.246 9.342 -0.096 1
1 233 . 19 1 1 A 21 21 SER HA H 21 5.207 5.107 0.100 1
1 236 . 19 1 1 A 21 21 SER C C 21 176.047 175.766 0.281 1
1 237 . 19 1 1 A 21 21 SER CA C 21 56.523 56.572 -0.049 1
1 238 . 19 1 1 A 21 21 SER CB C 21 66.369 66.357 0.012 1
1 239 . 19 1 1 A 21 21 SER N N 21 120.387 119.594 0.793 1
1 240 . 19 1 1 A 22 22 ARG H H 22 8.847 9.215 -0.368 1
1 241 . 19 1 1 A 22 22 ARG HA H 22 3.868 4.313 -0.445 1
1 248 . 19 1 1 A 22 22 ARG C C 22 178.388 176.828 1.560 1
1 249 . 19 1 1 A 22 22 ARG CA C 22 60.207 58.452 1.755 1
1 250 . 19 1 1 A 22 22 ARG CB C 22 29.118 30.100 -0.982 1
1 253 . 19 1 1 A 22 22 ARG N N 22 122.878 120.737 2.141 1
1 254 . 19 1 1 A 23 23 ALA H H 23 8.243 7.814 0.429 1
1 255 . 19 1 1 A 23 23 ALA HA H 23 4.175 4.337 -0.162 1
1 259 . 19 1 1 A 23 23 ALA C C 23 177.763 177.708 0.055 1
1 260 . 19 1 1 A 23 23 ALA CA C 23 54.000 52.342 1.658 1
1 261 . 19 1 1 A 23 23 ALA CB C 23 18.461 19.768 -1.307 1
1 262 . 19 1 1 A 23 23 ALA N N 23 121.050 121.045 0.005 1
1 263 . 19 1 1 A 24 24 ASP H H 24 7.597 8.012 -0.415 1
1 264 . 19 1 1 A 24 24 ASP HA H 24 4.632 4.750 -0.118 1
1 267 . 19 1 1 A 24 24 ASP C C 24 176.608 176.858 -0.250 1
1 268 . 19 1 1 A 24 24 ASP CA C 24 54.726 54.609 0.117 1
1 269 . 19 1 1 A 24 24 ASP CB C 24 42.026 41.858 0.168 1
1 270 . 19 1 1 A 24 24 ASP N N 24 115.095 117.365 -2.270 1
1 271 . 19 1 1 A 25 25 LEU H H 25 7.311 6.969 0.342 1
1 272 . 19 1 1 A 25 25 LEU HA H 25 4.402 4.495 -0.093 1
1 282 . 19 1 1 A 25 25 LEU C C 25 174.724 174.965 -0.241 1
1 283 . 19 1 1 A 25 25 LEU CA C 25 53.307 53.967 -0.660 1
1 284 . 19 1 1 A 25 25 LEU CB C 25 40.047 41.968 -1.921 1
1 288 . 19 1 1 A 25 25 LEU N N 25 119.781 122.476 -2.695 1
1 289 . 19 1 1 A 26 26 PRO HA H 26 4.745 4.676 0.069 1
1 296 . 19 1 1 A 26 26 PRO CA C 26 61.496 61.850 -0.354 1
1 297 . 19 1 1 A 26 26 PRO CB C 26 30.700 31.680 -0.980 1
1 300 . 19 1 1 A 27 27 PRO HA H 27 4.598 4.644 -0.046 1
1 307 . 19 1 1 A 27 27 PRO C C 27 178.036 177.330 0.706 1
1 308 . 19 1 1 A 27 27 PRO CA C 27 62.923 62.583 0.340 1
1 309 . 19 1 1 A 27 27 PRO CB C 27 32.758 32.538 0.220 1
1 312 . 19 1 1 A 28 28 LEU H H 28 8.880 8.476 0.404 1
1 313 . 19 1 1 A 28 28 LEU HA H 28 4.177 4.247 -0.070 1
1 323 . 19 1 1 A 28 28 LEU C C 28 176.873 178.640 -1.767 1
1 324 . 19 1 1 A 28 28 LEU CA C 28 57.833 57.223 0.610 1
1 325 . 19 1 1 A 28 28 LEU CB C 28 41.291 41.573 -0.282 1
1 329 . 19 1 1 A 28 28 LEU N N 28 122.643 123.068 -0.425 1
1 330 . 19 1 1 A 29 29 ASP H H 29 8.203 8.184 0.019 1
1 331 . 19 1 1 A 29 29 ASP HA H 29 4.615 4.557 0.058 1
1 334 . 19 1 1 A 29 29 ASP C C 29 176.158 176.460 -0.302 1
1 335 . 19 1 1 A 29 29 ASP CA C 29 53.098 55.931 -2.833 1
1 336 . 19 1 1 A 29 29 ASP CB C 29 39.311 40.819 -1.508 1
1 337 . 19 1 1 A 29 29 ASP N N 29 115.741 118.334 -2.593 1
1 338 . 19 1 1 A 30 30 THR H H 30 7.516 7.678 -0.162 1
1 339 . 19 1 1 A 30 30 THR HA H 30 3.599 4.222 -0.623 1
1 344 . 19 1 1 A 30 30 THR C C 30 174.366 174.090 0.276 1
1 345 . 19 1 1 A 30 30 THR CA C 30 65.815 62.017 3.798 1
1 346 . 19 1 1 A 30 30 THR CB C 30 69.989 67.612 2.377 1
1 348 . 19 1 1 A 30 30 THR N N 30 116.808 114.791 2.017 1
1 349 . 19 1 1 A 31 31 ARG H H 31 8.482 8.505 -0.023 1
1 350 . 19 1 1 A 31 31 ARG HA H 31 4.583 4.361 0.222 1
1 358 . 19 1 1 A 31 31 ARG CA C 31 55.399 57.199 -1.800 1
1 359 . 19 1 1 A 31 31 ARG CB C 31 32.296 31.532 0.764 1
1 362 . 19 1 1 A 31 31 ARG N N 31 124.991 127.965 -2.974 1
1 364 . 19 1 1 A 32 32 ARG HA H 32 4.523 4.359 0.164 1
1 372 . 19 1 1 A 32 32 ARG C C 32 175.341 176.076 -0.735 1
1 373 . 19 1 1 A 32 32 ARG CA C 32 54.759 55.894 -1.135 1
1 374 . 19 1 1 A 32 32 ARG CB C 32 30.348 29.154 1.194 1
1 378 . 19 1 1 A 33 33 TRP H H 33 8.923 8.517 0.406 1
1 379 . 19 1 1 A 33 33 TRP HA H 33 4.292 4.744 -0.452 1
1 388 . 19 1 1 A 33 33 TRP C C 33 176.208 176.408 -0.200 1
1 389 . 19 1 1 A 33 33 TRP CA C 33 56.923 58.358 -1.435 1
1 390 . 19 1 1 A 33 33 TRP CB C 33 28.492 29.964 -1.472 1
1 396 . 19 1 1 A 33 33 TRP N N 33 128.804 124.047 4.757 1
1 398 . 19 1 1 A 34 34 VAL H H 34 6.953 8.741 -1.788 1
1 399 . 19 1 1 A 34 34 VAL HA H 34 4.451 4.735 -0.284 1
1 407 . 19 1 1 A 34 34 VAL C C 34 177.217 176.711 0.506 1
1 408 . 19 1 1 A 34 34 VAL CA C 34 60.180 59.427 0.753 1
1 409 . 19 1 1 A 34 34 VAL CB C 34 32.686 34.842 -2.156 1
1 412 . 19 1 1 A 34 34 VAL N N 34 114.683 119.280 -4.597 1
1 413 . 19 1 1 A 35 35 ALA HA H 35 3.745 3.929 -0.184 1
1 417 . 19 1 1 A 35 35 ALA C C 35 180.114 179.464 0.650 1
1 418 . 19 1 1 A 35 35 ALA CA C 35 56.618 55.649 0.969 1
1 419 . 19 1 1 A 35 35 ALA CB C 35 18.334 18.059 0.275 1
1 420 . 19 1 1 A 36 36 SER H H 36 8.841 8.095 0.746 1
1 421 . 19 1 1 A 36 36 SER HA H 36 4.140 4.103 0.037 1
1 424 . 19 1 1 A 36 36 SER C C 36 177.291 177.304 -0.013 1
1 425 . 19 1 1 A 36 36 SER CA C 36 61.250 61.297 -0.047 1
1 426 . 19 1 1 A 36 36 SER CB C 36 61.673 62.947 -1.274 1
1 427 . 19 1 1 A 36 36 SER N N 36 111.913 112.970 -1.057 1
1 428 . 19 1 1 A 37 37 ARG H H 37 7.183 7.925 -0.742 1
1 429 . 19 1 1 A 37 37 ARG HA H 37 4.349 4.205 0.144 1
1 436 . 19 1 1 A 37 37 ARG C C 37 177.816 178.842 -1.026 1
1 437 . 19 1 1 A 37 37 ARG CA C 37 58.944 58.876 0.068 1
1 438 . 19 1 1 A 37 37 ARG CB C 37 31.009 29.664 1.345 1
1 441 . 19 1 1 A 37 37 ARG N N 37 123.504 121.808 1.696 1
1 442 . 19 1 1 A 38 38 LYS H H 38 7.514 8.104 -0.590 1
1 443 . 19 1 1 A 38 38 LYS HA H 38 3.592 3.382 0.210 1
1 452 . 19 1 1 A 38 38 LYS C C 38 178.935 178.785 0.150 1
1 453 . 19 1 1 A 38 38 LYS CA C 38 59.846 59.025 0.821 1
1 454 . 19 1 1 A 38 38 LYS CB C 38 33.310 31.623 1.687 1
1 458 . 19 1 1 A 38 38 LYS N N 38 118.200 119.616 -1.416 1
1 459 . 19 1 1 A 39 39 ALA H H 39 8.131 8.347 -0.216 1
1 460 . 19 1 1 A 39 39 ALA HA H 39 3.865 4.017 -0.152 1
1 464 . 19 1 1 A 39 39 ALA C C 39 178.995 179.666 -0.671 1
1 465 . 19 1 1 A 39 39 ALA CA C 39 55.093 55.154 -0.061 1
1 466 . 19 1 1 A 39 39 ALA CB C 39 18.124 17.861 0.263 1
1 467 . 19 1 1 A 39 39 ALA N N 39 117.547 122.346 -4.799 1
1 468 . 19 1 1 A 40 40 ALA H H 40 7.375 8.121 -0.746 1
1 469 . 19 1 1 A 40 40 ALA HA H 40 4.134 4.126 0.008 1
1 473 . 19 1 1 A 40 40 ALA C C 40 179.512 180.215 -0.703 1
1 474 . 19 1 1 A 40 40 ALA CA C 40 55.506 55.353 0.153 1
1 475 . 19 1 1 A 40 40 ALA CB C 40 18.473 18.316 0.157 1
1 476 . 19 1 1 A 40 40 ALA N N 40 119.346 119.924 -0.578 1
1 477 . 19 1 1 A 41 41 VAL H H 41 7.382 7.832 -0.450 1
1 478 . 19 1 1 A 41 41 VAL HA H 41 3.642 3.721 -0.079 1
1 486 . 19 1 1 A 41 41 VAL C C 41 177.423 178.160 -0.737 1
1 487 . 19 1 1 A 41 41 VAL CA C 41 67.279 67.158 0.121 1
1 488 . 19 1 1 A 41 41 VAL CB C 41 32.149 31.796 0.353 1
1 491 . 19 1 1 A 41 41 VAL N N 41 116.434 118.670 -2.236 1
1 492 . 19 1 1 A 42 42 VAL H H 42 8.332 8.333 -0.001 1
1 493 . 19 1 1 A 42 42 VAL HA H 42 3.723 3.949 -0.226 1
1 501 . 19 1 1 A 42 42 VAL C C 42 178.381 177.826 0.555 1
1 502 . 19 1 1 A 42 42 VAL CA C 42 67.698 65.411 2.287 1
1 503 . 19 1 1 A 42 42 VAL CB C 42 32.170 31.196 0.974 1
1 506 . 19 1 1 A 42 42 VAL N N 42 118.061 120.448 -2.387 1
1 507 . 19 1 1 A 43 43 LYS H H 43 8.973 8.377 0.596 1
1 508 . 19 1 1 A 43 43 LYS HA H 43 3.977 4.072 -0.095 1
1 517 . 19 1 1 A 43 43 LYS C C 43 177.830 179.189 -1.359 1
1 518 . 19 1 1 A 43 43 LYS CA C 43 60.343 59.218 1.125 1
1 519 . 19 1 1 A 43 43 LYS CB C 43 32.863 32.421 0.442 1
1 523 . 19 1 1 A 43 43 LYS N N 43 118.026 122.306 -4.280 1
1 524 . 19 1 1 A 44 44 ALA H H 44 7.959 8.011 -0.052 1
1 525 . 19 1 1 A 44 44 ALA HA H 44 3.968 4.090 -0.122 1
1 529 . 19 1 1 A 44 44 ALA C C 44 178.921 180.016 -1.095 1
1 530 . 19 1 1 A 44 44 ALA CA C 44 55.324 55.276 0.048 1
1 531 . 19 1 1 A 44 44 ALA CB C 44 19.816 18.366 1.450 1
1 532 . 19 1 1 A 44 44 ALA N N 44 119.893 122.590 -2.697 1
1 533 . 19 1 1 A 45 45 VAL H H 45 7.789 7.776 0.013 1
1 534 . 19 1 1 A 45 45 VAL HA H 45 4.494 4.108 0.386 1
1 542 . 19 1 1 A 45 45 VAL C C 45 180.590 178.384 2.206 1
1 543 . 19 1 1 A 45 45 VAL CA C 45 64.383 66.916 -2.533 1
1 544 . 19 1 1 A 45 45 VAL CB C 45 32.456 31.439 1.017 1
1 547 . 19 1 1 A 45 45 VAL N N 45 118.569 117.776 0.793 1
1 548 . 19 1 1 A 46 46 ILE H H 46 8.945 8.332 0.613 1
1 549 . 19 1 1 A 46 46 ILE HA H 46 3.689 3.705 -0.016 1
1 559 . 19 1 1 A 46 46 ILE C C 46 178.437 177.936 0.501 1
1 560 . 19 1 1 A 46 46 ILE CA C 46 65.391 64.682 0.709 1
1 561 . 19 1 1 A 46 46 ILE CB C 46 38.182 37.565 0.617 1
1 565 . 19 1 1 A 46 46 ILE N N 46 121.331 119.955 1.376 1
1 566 . 19 1 1 A 47 47 HIS H H 47 8.030 7.741 0.289 1
1 567 . 19 1 1 A 47 47 HIS HA H 47 4.663 4.534 0.129 1
1 572 . 19 1 1 A 47 47 HIS C C 47 175.308 175.492 -0.184 1
1 573 . 19 1 1 A 47 47 HIS CA C 47 56.736 56.178 0.558 1
1 574 . 19 1 1 A 47 47 HIS CB C 47 29.482 30.269 -0.787 1
1 577 . 19 1 1 A 47 47 HIS N N 47 113.700 117.225 -3.525 1
1 578 . 19 1 1 A 48 48 GLY H H 48 7.543 7.809 -0.266 1
1 579 . 19 1 1 A 48 48 GLY HA2 H 48 4.026 3.989 0.037 1
1 580 . 19 1 1 A 48 48 GLY HA3 H 48 3.904 3.997 -0.093 1
1 581 . 19 1 1 A 48 48 GLY C C 48 175.172 175.082 0.090 1
1 582 . 19 1 1 A 48 48 GLY CA C 48 46.740 45.186 1.554 1
1 583 . 19 1 1 A 48 48 GLY N N 48 106.113 106.998 -0.885 1
1 584 . 19 1 1 A 49 49 LEU H H 49 8.803 7.750 1.053 1
1 585 . 19 1 1 A 49 49 LEU HA H 49 4.090 3.957 0.133 1
1 595 . 19 1 1 A 49 49 LEU C C 49 176.111 176.330 -0.219 1
1 596 . 19 1 1 A 49 49 LEU CA C 49 57.575 58.096 -0.521 1
1 597 . 19 1 1 A 49 49 LEU CB C 49 42.969 42.452 0.517 1
1 601 . 19 1 1 A 49 49 LEU N N 49 122.636 121.851 0.785 1
1 602 . 19 1 1 A 50 50 ILE H H 50 7.257 7.327 -0.070 1
1 603 . 19 1 1 A 50 50 ILE HA H 50 4.689 4.841 -0.152 1
1 613 . 19 1 1 A 50 50 ILE C C 50 174.994 174.819 0.175 1
1 614 . 19 1 1 A 50 50 ILE CA C 50 58.262 58.724 -0.462 1
1 615 . 19 1 1 A 50 50 ILE CB C 50 41.641 41.469 0.172 1
1 619 . 19 1 1 A 50 50 ILE N N 50 107.650 114.257 -6.607 1
1 620 . 19 1 1 A 51 51 THR H H 51 8.677 8.438 0.239 1
1 621 . 19 1 1 A 51 51 THR HA H 51 4.466 4.556 -0.090 1
1 627 . 19 1 1 A 51 51 THR C C 51 175.227 175.215 0.012 1
1 628 . 19 1 1 A 51 51 THR CA C 51 60.728 60.977 -0.249 1
1 629 . 19 1 1 A 51 51 THR CB C 51 71.216 70.166 1.050 1
1 631 . 19 1 1 A 51 51 THR N N 51 111.798 117.131 -5.333 1
1 632 . 19 1 1 A 52 52 GLU H H 52 9.034 9.038 -0.004 1
1 633 . 19 1 1 A 52 52 GLU HA H 52 3.507 3.557 -0.050 1
1 638 . 19 1 1 A 52 52 GLU C C 52 177.287 178.027 -0.740 1
1 639 . 19 1 1 A 52 52 GLU CA C 52 60.515 59.599 0.916 1
1 640 . 19 1 1 A 52 52 GLU CB C 52 29.418 29.136 0.282 1
1 642 . 19 1 1 A 52 52 GLU N N 52 122.067 125.975 -3.908 1
1 643 . 19 1 1 A 53 53 ARG H H 53 8.213 7.314 0.899 1
1 644 . 19 1 1 A 53 53 ARG HA H 53 3.740 4.022 -0.282 1
1 652 . 19 1 1 A 53 53 ARG C C 53 177.698 178.829 -1.131 1
1 653 . 19 1 1 A 53 53 ARG CA C 53 58.635 58.729 -0.094 1
1 654 . 19 1 1 A 53 53 ARG CB C 53 30.257 29.695 0.562 1
1 658 . 19 1 1 A 53 53 ARG N N 53 116.853 119.484 -2.631 1
1 660 . 19 1 1 A 54 54 GLU H H 54 7.747 7.883 -0.136 1
1 661 . 19 1 1 A 54 54 GLU HA H 54 3.978 4.063 -0.085 1
1 666 . 19 1 1 A 54 54 GLU C C 54 178.915 178.362 0.553 1
1 667 . 19 1 1 A 54 54 GLU CA C 54 59.312 59.328 -0.016 1
1 668 . 19 1 1 A 54 54 GLU CB C 54 29.678 29.369 0.309 1
1 670 . 19 1 1 A 54 54 GLU N N 54 118.040 119.207 -1.167 1
1 671 . 19 1 1 A 55 55 ALA H H 55 7.932 7.635 0.297 1
1 672 . 19 1 1 A 55 55 ALA HA H 55 3.694 4.232 -0.538 1
1 676 . 19 1 1 A 55 55 ALA C C 55 178.383 180.097 -1.714 1
1 677 . 19 1 1 A 55 55 ALA CA C 55 55.871 55.195 0.676 1
1 678 . 19 1 1 A 55 55 ALA CB C 55 17.664 18.473 -0.809 1
1 679 . 19 1 1 A 55 55 ALA N N 55 122.121 122.312 -0.191 1
1 680 . 19 1 1 A 56 56 LEU H H 56 8.110 8.065 0.045 1
1 681 . 19 1 1 A 56 56 LEU HA H 56 3.605 3.819 -0.214 1
1 691 . 19 1 1 A 56 56 LEU C C 56 180.273 179.418 0.855 1
1 692 . 19 1 1 A 56 56 LEU CA C 56 58.167 57.759 0.408 1
1 693 . 19 1 1 A 56 56 LEU CB C 56 39.563 40.567 -1.004 1
1 697 . 19 1 1 A 56 56 LEU N N 56 114.908 118.442 -3.534 1
1 698 . 19 1 1 A 57 57 ASP H H 57 8.080 8.295 -0.215 1
1 699 . 19 1 1 A 57 57 ASP HA H 57 4.353 4.296 0.057 1
1 702 . 19 1 1 A 57 57 ASP C C 57 179.121 178.321 0.800 1
1 703 . 19 1 1 A 57 57 ASP CA C 57 56.644 57.373 -0.729 1
1 704 . 19 1 1 A 57 57 ASP CB C 57 40.909 41.050 -0.141 1
1 705 . 19 1 1 A 57 57 ASP N N 57 117.019 119.477 -2.458 1
1 706 . 19 1 1 A 58 58 ARG H H 58 8.584 8.314 0.270 1
1 707 . 19 1 1 A 58 58 ARG HA H 58 3.728 3.999 -0.271 1
1 715 . 19 1 1 A 58 58 ARG C C 58 177.362 176.998 0.364 1
1 716 . 19 1 1 A 58 58 ARG CA C 58 59.141 58.968 0.173 1
1 717 . 19 1 1 A 58 58 ARG CB C 58 30.462 29.755 0.707 1
1 720 . 19 1 1 A 58 58 ARG N N 58 119.926 118.203 1.723 1
1 722 . 19 1 1 A 59 59 TYR H H 59 7.133 7.690 -0.557 1
1 723 . 19 1 1 A 59 59 TYR HA H 59 5.018 4.787 0.231 1
1 730 . 19 1 1 A 59 59 TYR C C 59 173.865 175.122 -1.257 1
1 731 . 19 1 1 A 59 59 TYR CA C 59 57.348 57.673 -0.325 1
1 732 . 19 1 1 A 59 59 TYR CB C 59 38.052 38.886 -0.834 1
1 737 . 19 1 1 A 59 59 TYR N N 59 111.796 118.707 -6.911 1
1 738 . 19 1 1 A 60 60 SER H H 60 7.542 8.109 -0.567 1
1 739 . 19 1 1 A 60 60 SER HA H 60 4.082 4.137 -0.055 1
1 742 . 19 1 1 A 60 60 SER C C 60 176.402 173.170 3.232 1
1 743 . 19 1 1 A 60 60 SER CA C 60 58.482 59.189 -0.707 1
1 744 . 19 1 1 A 60 60 SER CB C 60 61.229 61.574 -0.345 1
1 745 . 19 1 1 A 60 60 SER N N 60 114.624 115.433 -0.809 1
1 746 . 19 1 1 A 61 61 LEU H H 61 8.228 7.811 0.417 1
1 747 . 19 1 1 A 61 61 LEU HA H 61 4.583 4.846 -0.263 1
1 757 . 19 1 1 A 61 61 LEU C C 61 176.463 175.835 0.628 1
1 758 . 19 1 1 A 61 61 LEU CA C 61 52.478 53.229 -0.751 1
1 759 . 19 1 1 A 61 61 LEU CB C 61 45.873 44.712 1.161 1
1 763 . 19 1 1 A 61 61 LEU N N 61 119.424 120.832 -1.408 1
1 764 . 19 1 1 A 62 62 SER H H 62 8.376 8.697 -0.321 1
1 765 . 19 1 1 A 62 62 SER HA H 62 4.555 4.690 -0.135 1
1 768 . 19 1 1 A 62 62 SER C C 62 175.088 174.715 0.373 1
1 769 . 19 1 1 A 62 62 SER CA C 62 56.123 57.039 -0.916 1
1 770 . 19 1 1 A 62 62 SER CB C 62 65.560 66.003 -0.443 1
1 771 . 19 1 1 A 62 62 SER N N 62 115.890 117.162 -1.272 1
1 772 . 19 1 1 A 63 63 GLU H H 63 9.204 9.089 0.115 1
1 773 . 19 1 1 A 63 63 GLU HA H 63 3.806 3.965 -0.159 1
1 778 . 19 1 1 A 63 63 GLU C C 63 179.412 178.425 0.987 1
1 779 . 19 1 1 A 63 63 GLU CA C 63 60.338 59.795 0.543 1
1 780 . 19 1 1 A 63 63 GLU CB C 63 29.354 29.321 0.033 1
1 782 . 19 1 1 A 63 63 GLU N N 63 122.263 124.549 -2.286 1
1 783 . 19 1 1 A 64 64 GLU H H 64 8.859 8.473 0.386 1
1 784 . 19 1 1 A 64 64 GLU HA H 64 3.969 4.013 -0.044 1
1 789 . 19 1 1 A 64 64 GLU C C 64 178.700 178.781 -0.081 1
1 790 . 19 1 1 A 64 64 GLU CA C 64 59.822 59.408 0.414 1
1 791 . 19 1 1 A 64 64 GLU CB C 64 29.210 29.122 0.088 1
1 793 . 19 1 1 A 64 64 GLU N N 64 119.056 118.472 0.584 1
1 794 . 19 1 1 A 65 65 GLU H H 65 7.864 7.922 -0.058 1
1 795 . 19 1 1 A 65 65 GLU HA H 65 3.960 3.994 -0.034 1
1 800 . 19 1 1 A 65 65 GLU C C 65 177.783 178.648 -0.865 1
1 801 . 19 1 1 A 65 65 GLU CA C 65 58.817 59.309 -0.492 1
1 802 . 19 1 1 A 65 65 GLU CB C 65 29.452 29.324 0.128 1
1 804 . 19 1 1 A 65 65 GLU N N 65 121.783 120.214 1.569 1
1 805 . 19 1 1 A 66 66 PHE H H 66 7.918 7.984 -0.066 1
1 806 . 19 1 1 A 66 66 PHE HA H 66 3.294 3.606 -0.312 1
1 814 . 19 1 1 A 66 66 PHE C C 66 177.021 177.725 -0.704 1
1 815 . 19 1 1 A 66 66 PHE CA C 66 61.197 61.326 -0.129 1
1 816 . 19 1 1 A 66 66 PHE CB C 66 39.279 38.930 0.349 1
1 820 . 19 1 1 A 66 66 PHE N N 66 117.902 119.918 -2.016 1
1 821 . 19 1 1 A 67 67 ALA H H 67 8.011 8.395 -0.384 1
1 822 . 19 1 1 A 67 67 ALA HA H 67 3.839 4.071 -0.232 1
1 826 . 19 1 1 A 67 67 ALA C C 67 181.069 180.192 0.877 1
1 827 . 19 1 1 A 67 67 ALA CA C 67 55.296 55.108 0.188 1
1 828 . 19 1 1 A 67 67 ALA CB C 67 17.648 18.100 -0.452 1
1 829 . 19 1 1 A 67 67 ALA N N 67 119.951 121.265 -1.314 1
1 830 . 19 1 1 A 68 68 LEU H H 68 7.431 7.934 -0.503 1
1 831 . 19 1 1 A 68 68 LEU HA H 68 4.162 4.075 0.087 1
1 841 . 19 1 1 A 68 68 LEU C C 68 180.631 179.216 1.415 1
1 842 . 19 1 1 A 68 68 LEU CA C 68 57.621 57.635 -0.014 1
1 843 . 19 1 1 A 68 68 LEU CB C 68 41.083 42.208 -1.125 1
1 847 . 19 1 1 A 68 68 LEU N N 68 119.888 119.503 0.385 1
1 848 . 19 1 1 A 69 69 TRP H H 69 8.288 8.107 0.181 1
1 849 . 19 1 1 A 69 69 TRP HA H 69 4.341 4.195 0.146 1
1 858 . 19 1 1 A 69 69 TRP C C 69 179.178 179.113 0.065 1
1 859 . 19 1 1 A 69 69 TRP CA C 69 59.228 60.125 -0.897 1
1 860 . 19 1 1 A 69 69 TRP CB C 69 28.387 28.760 -0.373 1
1 866 . 19 1 1 A 69 69 TRP N N 69 122.616 119.128 3.488 1
1 868 . 19 1 1 A 70 70 ARG H H 70 8.291 7.997 0.294 1
1 869 . 19 1 1 A 70 70 ARG HA H 70 3.743 3.952 -0.209 1
1 877 . 19 1 1 A 70 70 ARG C C 70 178.811 178.168 0.643 1
1 878 . 19 1 1 A 70 70 ARG CA C 70 59.614 58.646 0.968 1
1 879 . 19 1 1 A 70 70 ARG CB C 70 30.171 29.953 0.218 1
1 882 . 19 1 1 A 70 70 ARG N N 70 117.864 118.021 -0.157 1
1 884 . 19 1 1 A 71 71 SER H H 71 8.000 7.589 0.411 1
1 885 . 19 1 1 A 71 71 SER HA H 71 4.212 4.229 -0.017 1
1 888 . 19 1 1 A 71 71 SER C C 71 176.074 175.175 0.899 1
1 889 . 19 1 1 A 71 71 SER CA C 71 61.074 61.274 -0.200 1
1 890 . 19 1 1 A 71 71 SER CB C 71 62.891 63.219 -0.328 1
1 891 . 19 1 1 A 71 71 SER N N 71 114.582 117.087 -2.505 1
1 892 . 19 1 1 A 72 72 ALA H H 72 7.816 7.725 0.091 1
1 893 . 19 1 1 A 72 72 ALA HA H 72 4.230 4.054 0.176 1
1 897 . 19 1 1 A 72 72 ALA C C 72 179.631 178.159 1.472 1
1 898 . 19 1 1 A 72 72 ALA CA C 72 54.245 53.296 0.949 1
1 899 . 19 1 1 A 72 72 ALA CB C 72 18.687 18.799 -0.112 1
1 900 . 19 1 1 A 72 72 ALA N N 72 124.141 122.789 1.352 1
1 901 . 19 1 1 A 73 73 VAL H H 73 7.728 7.661 0.067 1
1 902 . 19 1 1 A 73 73 VAL HA H 73 3.850 3.865 -0.015 1
1 910 . 19 1 1 A 73 73 VAL C C 73 177.286 177.800 -0.514 1
1 911 . 19 1 1 A 73 73 VAL CA C 73 64.163 64.649 -0.486 1
1 912 . 19 1 1 A 73 73 VAL CB C 73 32.466 32.054 0.412 1
1 915 . 19 1 1 A 73 73 VAL N N 73 117.289 116.280 1.009 1
1 916 . 19 1 1 A 74 74 ALA H H 74 7.960 7.954 0.006 1
1 917 . 19 1 1 A 74 74 ALA HA H 74 4.195 4.137 0.058 1
1 921 . 19 1 1 A 74 74 ALA C C 74 178.318 179.079 -0.761 1
1 922 . 19 1 1 A 74 74 ALA CA C 74 53.559 55.288 -1.729 1
1 923 . 19 1 1 A 74 74 ALA CB C 74 18.612 18.443 0.169 1
1 924 . 19 1 1 A 74 74 ALA N N 74 123.977 122.098 1.879 1
1 925 . 19 1 1 A 75 75 ALA H H 75 7.889 8.129 -0.240 1
1 926 . 19 1 1 A 75 75 ALA HA H 75 4.214 4.427 -0.213 1
1 930 . 19 1 1 A 75 75 ALA C C 75 178.233 177.414 0.819 1
1 931 . 19 1 1 A 75 75 ALA CA C 75 53.242 51.857 1.385 1
1 932 . 19 1 1 A 75 75 ALA CB C 75 18.812 18.636 0.176 1
1 933 . 19 1 1 A 75 75 ALA N N 75 120.956 119.320 1.636 1
1 934 . 19 1 1 A 76 76 HIS H H 76 8.057 7.670 0.387 1
1 935 . 19 1 1 A 76 76 HIS HA H 76 4.585 4.490 0.095 1
1 939 . 19 1 1 A 76 76 HIS C C 76 176.217 175.840 0.377 1
1 940 . 19 1 1 A 76 76 HIS CA C 76 56.644 56.909 -0.265 1
1 941 . 19 1 1 A 76 76 HIS CB C 76 30.282 29.658 0.624 1
1 943 . 19 1 1 A 76 76 HIS N N 76 117.302 117.450 -0.148 1
1 944 . 19 1 1 A 77 77 GLY H H 77 8.229 7.693 0.536 1
1 945 . 19 1 1 A 77 77 GLY HA2 H 77 3.951 2.552 1.399 1
1 946 . 19 1 1 A 77 77 GLY HA3 H 77 3.951 3.476 0.475 1
1 947 . 19 1 1 A 77 77 GLY C C 77 174.415 175.266 -0.851 1
1 948 . 19 1 1 A 77 77 GLY CA C 77 45.560 46.742 -1.182 1
1 949 . 19 1 1 A 77 77 GLY N N 77 109.118 106.705 2.413 1
1 950 . 19 1 1 A 78 78 GLU H H 78 8.335 8.200 0.135 1
1 951 . 19 1 1 A 78 78 GLU HA H 78 4.210 4.129 0.081 1
1 956 . 19 1 1 A 78 78 GLU C C 78 177.052 176.736 0.316 1
1 957 . 19 1 1 A 78 78 GLU CA C 78 56.836 57.447 -0.611 1
1 958 . 19 1 1 A 78 78 GLU CB C 78 30.136 27.836 2.300 1
1 960 . 19 1 1 A 78 78 GLU N N 78 120.947 120.223 0.724 1
1 961 . 19 1 1 A 79 79 LYS H H 79 8.299 7.867 0.432 1
1 962 . 19 1 1 A 79 79 LYS HA H 79 4.205 4.282 -0.077 1
1 971 . 19 1 1 A 79 79 LYS C C 79 176.656 177.096 -0.440 1
1 972 . 19 1 1 A 79 79 LYS CA C 79 57.057 56.903 0.154 1
1 973 . 19 1 1 A 79 79 LYS CB C 79 32.811 33.964 -1.153 1
1 977 . 19 1 1 A 79 79 LYS N N 79 121.638 117.843 3.795 1
1 978 . 19 1 1 A 80 80 ALA H H 80 8.142 7.383 0.759 1
1 979 . 19 1 1 A 80 80 ALA HA H 80 4.245 4.505 -0.260 1
1 983 . 19 1 1 A 80 80 ALA C C 80 177.868 176.306 1.562 1
1 984 . 19 1 1 A 80 80 ALA CA C 80 52.706 51.922 0.784 1
1 985 . 19 1 1 A 80 80 ALA CB C 80 19.117 19.394 -0.277 1
1 986 . 19 1 1 A 80 80 ALA N N 80 123.770 118.425 5.345 1
1 987 . 19 1 1 A 81 81 LEU H H 81 8.040 8.995 -0.955 1
1 988 . 19 1 1 A 81 81 LEU HA H 81 4.245 4.824 -0.579 1
1 998 . 19 1 1 A 81 81 LEU C C 81 177.434 175.627 1.807 1
1 999 . 19 1 1 A 81 81 LEU CA C 81 55.673 54.254 1.419 1
1 1000 . 19 1 1 A 81 81 LEU CB C 81 42.160 40.281 1.879 1
1 1004 . 19 1 1 A 81 81 LEU N N 81 120.893 124.969 -4.076 1
1 1005 . 19 1 1 A 82 82 LYS H H 82 8.178 7.865 0.313 1
1 1006 . 19 1 1 A 82 82 LYS HA H 82 4.283 4.402 -0.119 1
1 1015 . 19 1 1 A 82 82 LYS C C 82 176.810 177.373 -0.563 1
1 1016 . 19 1 1 A 82 82 LYS CA C 82 56.715 56.279 0.436 1
1 1017 . 19 1 1 A 82 82 LYS CB C 82 32.846 34.079 -1.233 1
1 1021 . 19 1 1 A 82 82 LYS N N 82 121.957 124.416 -2.459 1
1 1022 . 19 1 1 A 83 83 VAL H H 83 8.123 8.574 -0.451 1
1 1023 . 19 1 1 A 83 83 VAL HA H 83 4.093 3.828 0.265 1
1 1031 . 19 1 1 A 83 83 VAL C C 83 176.604 177.592 -0.988 1
1 1032 . 19 1 1 A 83 83 VAL CA C 83 62.964 65.456 -2.492 1
1 1033 . 19 1 1 A 83 83 VAL CB C 83 32.742 31.748 0.994 1
1 1036 . 19 1 1 A 83 83 VAL N N 83 121.150 126.684 -5.534 1
1 1037 . 19 1 1 A 84 84 THR H H 84 8.162 7.999 0.163 1
1 1038 . 19 1 1 A 84 84 THR HA H 84 4.276 3.919 0.357 1
1 1043 . 19 1 1 A 84 84 THR C C 84 174.773 176.775 -2.002 1
1 1044 . 19 1 1 A 84 84 THR CA C 84 62.558 66.215 -3.657 1
1 1045 . 19 1 1 A 84 84 THR CB C 84 69.726 68.446 1.280 1
1 1047 . 19 1 1 A 84 84 THR N N 84 117.587 117.358 0.229 1
1 1048 . 19 1 1 A 85 85 MET H H 85 8.353 8.026 0.327 1
1 1049 . 19 1 1 A 85 85 MET HA H 85 4.448 3.994 0.454 1
1 1054 . 19 1 1 A 85 85 MET C C 85 176.518 178.570 -2.052 1
1 1055 . 19 1 1 A 85 85 MET CA C 85 56.074 58.413 -2.339 1
1 1056 . 19 1 1 A 85 85 MET CB C 85 32.837 31.791 1.046 1
1 1058 . 19 1 1 A 85 85 MET N N 85 122.707 118.046 4.661 1
1 1059 . 19 1 1 A 86 86 ILE H H 86 8.113 7.889 0.224 1
1 1060 . 19 1 1 A 86 86 ILE HA H 86 4.061 3.819 0.242 1
1 1070 . 19 1 1 A 86 86 ILE C C 86 176.712 177.885 -1.173 1
1 1071 . 19 1 1 A 86 86 ILE CA C 86 62.006 65.040 -3.034 1
1 1072 . 19 1 1 A 86 86 ILE CB C 86 38.402 37.436 0.966 1
1 1076 . 19 1 1 A 86 86 ILE N N 86 121.834 120.182 1.652 1
1 1077 . 19 1 1 A 87 87 GLN H H 87 8.328 7.821 0.507 1
1 1078 . 19 1 1 A 87 87 GLN HA H 87 4.190 3.999 0.191 1
1 1085 . 19 1 1 A 87 87 GLN C C 87 176.617 177.608 -0.991 1
1 1086 . 19 1 1 A 87 87 GLN CA C 87 56.798 59.344 -2.546 1
1 1087 . 19 1 1 A 87 87 GLN CB C 87 29.044 28.239 0.805 1
1 1089 . 19 1 1 A 87 87 GLN N N 87 123.529 120.781 2.748 1
1 1091 . 19 1 1 A 88 88 LYS H H 88 8.232 7.770 0.462 1
1 1092 . 19 1 1 A 88 88 LYS HA H 88 4.133 4.246 -0.113 1
1 1101 . 19 1 1 A 88 88 LYS C C 88 176.983 176.976 0.007 1
1 1102 . 19 1 1 A 88 88 LYS CA C 88 57.289 57.236 0.053 1
1 1103 . 19 1 1 A 88 88 LYS CB C 88 32.806 32.119 0.687 1
1 1107 . 19 1 1 A 88 88 LYS N N 88 121.677 117.976 3.701 1
1 1108 . 19 1 1 A 89 89 TYR H H 89 8.086 7.359 0.727 1
1 1109 . 19 1 1 A 89 89 TYR HA H 89 4.492 4.514 -0.022 1
1 1116 . 19 1 1 A 89 89 TYR C C 89 176.250 177.951 -1.701 1
1 1117 . 19 1 1 A 89 89 TYR CA C 89 58.546 60.305 -1.759 1
1 1118 . 19 1 1 A 89 89 TYR CB C 89 38.410 39.530 -1.120 1
1 1123 . 19 1 1 A 89 89 TYR N N 89 119.993 117.849 2.144 1
1 1124 . 19 1 1 A 90 90 ARG H H 90 8.127 9.090 -0.963 1
1 1125 . 19 1 1 A 90 90 ARG HA H 90 4.119 4.044 0.075 1
1 1132 . 19 1 1 A 90 90 ARG C C 90 176.628 177.449 -0.821 1
1 1133 . 19 1 1 A 90 90 ARG CA C 90 57.085 59.491 -2.406 1
1 1134 . 19 1 1 A 90 90 ARG CB C 90 30.568 30.292 0.276 1
1 1137 . 19 1 1 A 90 90 ARG N N 90 121.679 119.622 2.057 1
1 1138 . 19 1 1 A 91 91 GLN H H 91 8.232 7.575 0.657 1
1 1139 . 19 1 1 A 91 91 GLN HA H 91 4.179 4.536 -0.357 1
1 1146 . 19 1 1 A 91 91 GLN C C 91 176.491 174.305 2.186 1
1 1147 . 19 1 1 A 91 91 GLN CA C 91 56.800 54.792 2.008 1
1 1148 . 19 1 1 A 91 91 GLN CB C 91 29.129 27.866 1.263 1
1 1150 . 19 1 1 A 91 91 GLN N N 91 120.420 116.665 3.755 1
1 1152 . 19 1 1 A 92 92 LEU H H 92 8.118 7.510 0.608 1
1 1153 . 19 1 1 A 92 92 LEU HA H 92 4.269 4.974 -0.705 1
1 1162 . 19 1 1 A 92 92 LEU C C 92 177.632 176.820 0.812 1
1 1163 . 19 1 1 A 92 92 LEU CA C 92 55.419 55.284 0.135 1
1 1164 . 19 1 1 A 92 92 LEU CB C 92 42.238 42.678 -0.440 1
1 1167 . 19 1 1 A 92 92 LEU N N 92 122.670 120.726 1.944 1
1 1168 . 19 1 1 A 93 93 HIS H H 93 8.049 9.013 -0.964 1
1 1169 . 19 1 1 A 93 93 HIS HA H 93 4.228 5.655 -1.427 1
1 1172 . 19 1 1 A 93 93 HIS C C 93 177.608 173.418 4.190 1
1 1173 . 19 1 1 A 93 93 HIS CA C 93 55.512 53.918 1.594 1
1 1174 . 19 1 1 A 93 93 HIS CB C 93 42.238 31.500 10.738 1
1 1175 . 19 1 1 A 93 93 HIS N N 93 121.742 118.729 3.013 1
1 1176 . 19 1 1 A 94 94 HIS H H 94 8.153 8.889 -0.736 1
1 1177 . 19 1 1 A 94 94 HIS HA H 94 4.141 4.686 -0.545 1
1 1180 . 19 1 1 A 94 94 HIS CA C 94 56.804 57.039 -0.235 1
1 1181 . 19 1 1 A 94 94 HIS CB C 94 30.254 31.810 -1.556 1
1 1182 . 19 1 1 A 94 94 HIS N N 94 120.504 122.367 -1.863 1
1 1 . 20 1 1 A 2 2 TYR HA H 2 4.593 4.659 -0.066 1
1 8 . 20 1 1 A 2 2 TYR C C 2 174.805 175.355 -0.550 1
1 9 . 20 1 1 A 2 2 TYR CA C 2 57.884 58.778 -0.894 1
1 10 . 20 1 1 A 2 2 TYR CB C 2 38.790 38.664 0.126 1
1 15 . 20 1 1 A 3 3 LEU H H 3 8.189 8.821 -0.632 1
1 16 . 20 1 1 A 3 3 LEU HA H 3 4.268 4.556 -0.288 1
1 25 . 20 1 1 A 3 3 LEU C C 3 176.110 176.935 -0.825 1
1 26 . 20 1 1 A 3 3 LEU CA C 3 54.574 56.392 -1.818 1
1 27 . 20 1 1 A 3 3 LEU CB C 3 42.796 44.052 -1.256 1
1 30 . 20 1 1 A 3 3 LEU N N 3 126.201 125.157 1.044 1
1 31 . 20 1 1 A 4 4 LYS H H 4 8.132 8.638 -0.506 1
1 32 . 20 1 1 A 4 4 LYS HA H 4 4.336 4.365 -0.029 1
1 35 . 20 1 1 A 4 4 LYS C C 4 175.828 175.481 0.347 1
1 36 . 20 1 1 A 4 4 LYS CA C 4 56.186 55.990 0.196 1
1 37 . 20 1 1 A 4 4 LYS CB C 4 33.084 32.715 0.369 1
1 38 . 20 1 1 A 4 4 LYS N N 4 123.332 119.382 3.950 1
1 39 . 20 1 1 A 5 5 ARG H H 5 8.537 7.634 0.903 1
1 40 . 20 1 1 A 5 5 ARG HA H 5 4.327 4.681 -0.354 1
1 47 . 20 1 1 A 5 5 ARG C C 5 176.158 174.450 1.708 1
1 48 . 20 1 1 A 5 5 ARG CA C 5 56.076 55.615 0.461 1
1 49 . 20 1 1 A 5 5 ARG CB C 5 31.028 32.706 -1.678 1
1 52 . 20 1 1 A 5 5 ARG N N 5 124.828 121.421 3.407 1
1 53 . 20 1 1 A 6 6 VAL H H 6 8.344 8.701 -0.357 1
1 54 . 20 1 1 A 6 6 VAL HA H 6 4.154 4.090 0.064 1
1 62 . 20 1 1 A 6 6 VAL C C 6 175.662 175.047 0.615 1
1 63 . 20 1 1 A 6 6 VAL CA C 6 61.973 62.805 -0.832 1
1 64 . 20 1 1 A 6 6 VAL CB C 6 32.937 32.780 0.157 1
1 66 . 20 1 1 A 6 6 VAL N N 6 122.153 126.511 -4.358 1
1 67 . 20 1 1 A 7 7 ASP H H 7 8.469 8.595 -0.126 1
1 68 . 20 1 1 A 7 7 ASP HA H 7 4.681 4.426 0.255 1
1 71 . 20 1 1 A 7 7 ASP C C 7 176.217 175.313 0.904 1
1 72 . 20 1 1 A 7 7 ASP CA C 7 54.202 52.791 1.411 1
1 73 . 20 1 1 A 7 7 ASP CB C 7 41.583 39.316 2.267 1
1 74 . 20 1 1 A 7 7 ASP N N 7 124.555 128.186 -3.631 1
1 75 . 20 1 1 A 8 8 GLY H H 8 8.185 8.356 -0.171 1
1 76 . 20 1 1 A 8 8 GLY HA2 H 8 4.184 4.064 0.120 1
1 77 . 20 1 1 A 8 8 GLY HA3 H 8 4.070 4.083 -0.013 1
1 78 . 20 1 1 A 8 8 GLY C C 8 171.436 172.661 -1.225 1
1 79 . 20 1 1 A 8 8 GLY CA C 8 44.634 43.965 0.669 1
1 80 . 20 1 1 A 8 8 GLY N N 8 109.085 113.124 -4.039 1
1 81 . 20 1 1 A 9 9 PRO HA H 9 4.510 4.608 -0.098 1
1 88 . 20 1 1 A 9 9 PRO C C 9 176.784 177.073 -0.289 1
1 89 . 20 1 1 A 9 9 PRO CA C 9 62.869 62.913 -0.044 1
1 90 . 20 1 1 A 9 9 PRO CB C 9 32.364 32.248 0.116 1
1 93 . 20 1 1 A 10 10 ARG H H 10 8.761 9.079 -0.318 1
1 94 . 20 1 1 A 10 10 ARG HA H 10 4.165 4.254 -0.089 1
1 99 . 20 1 1 A 10 10 ARG C C 10 175.911 176.126 -0.215 1
1 100 . 20 1 1 A 10 10 ARG CA C 10 57.463 57.232 0.231 1
1 101 . 20 1 1 A 10 10 ARG CB C 10 31.030 31.240 -0.210 1
1 103 . 20 1 1 A 10 10 ARG N N 10 120.390 119.848 0.542 1
1 104 . 20 1 1 A 11 11 GLN H H 11 7.790 7.816 -0.026 1
1 105 . 20 1 1 A 11 11 GLN HA H 11 5.173 4.936 0.237 1
1 112 . 20 1 1 A 11 11 GLN C C 11 173.893 173.611 0.282 1
1 113 . 20 1 1 A 11 11 GLN CA C 11 54.402 54.626 -0.224 1
1 114 . 20 1 1 A 11 11 GLN CB C 11 31.366 31.805 -0.439 1
1 116 . 20 1 1 A 11 11 GLN N N 11 114.694 116.125 -1.431 1
1 118 . 20 1 1 A 12 12 VAL H H 12 8.803 9.147 -0.344 1
1 119 . 20 1 1 A 12 12 VAL HA H 12 4.625 4.979 -0.354 1
1 127 . 20 1 1 A 12 12 VAL C C 12 173.796 174.621 -0.825 1
1 128 . 20 1 1 A 12 12 VAL CA C 12 60.127 59.211 0.916 1
1 129 . 20 1 1 A 12 12 VAL CB C 12 35.590 36.265 -0.675 1
1 132 . 20 1 1 A 12 12 VAL N N 12 115.575 117.160 -1.585 1
1 133 . 20 1 1 A 13 13 THR H H 13 8.553 8.533 0.020 1
1 134 . 20 1 1 A 13 13 THR HA H 13 4.772 5.028 -0.256 1
1 139 . 20 1 1 A 13 13 THR C C 13 174.526 173.843 0.683 1
1 140 . 20 1 1 A 13 13 THR CA C 13 61.880 61.227 0.653 1
1 141 . 20 1 1 A 13 13 THR CB C 13 69.319 71.360 -2.041 1
1 143 . 20 1 1 A 13 13 THR N N 13 119.282 116.113 3.169 1
1 144 . 20 1 1 A 14 14 LEU H H 14 9.254 9.139 0.115 1
1 145 . 20 1 1 A 14 14 LEU HA H 14 4.210 4.652 -0.442 1
1 155 . 20 1 1 A 14 14 LEU C C 14 177.361 176.637 0.724 1
1 156 . 20 1 1 A 14 14 LEU CA C 14 54.116 52.472 1.644 1
1 157 . 20 1 1 A 14 14 LEU CB C 14 39.546 41.799 -2.253 1
1 161 . 20 1 1 A 14 14 LEU N N 14 129.147 126.902 2.245 1
1 162 . 20 1 1 A 15 15 PRO HA H 15 4.294 4.446 -0.152 1
1 169 . 20 1 1 A 15 15 PRO C C 15 176.570 177.399 -0.829 1
1 170 . 20 1 1 A 15 15 PRO CA C 15 65.392 64.438 0.954 1
1 171 . 20 1 1 A 15 15 PRO CB C 15 31.808 31.812 -0.004 1
1 174 . 20 1 1 A 16 16 ASP H H 16 7.397 7.917 -0.520 1
1 175 . 20 1 1 A 16 16 ASP HA H 16 4.486 4.689 -0.203 1
1 178 . 20 1 1 A 16 16 ASP C C 16 177.056 176.263 0.793 1
1 179 . 20 1 1 A 16 16 ASP CA C 16 53.157 54.178 -1.021 1
1 180 . 20 1 1 A 16 16 ASP CB C 16 39.987 41.330 -1.343 1
1 181 . 20 1 1 A 16 16 ASP N N 16 113.036 117.423 -4.387 1
1 182 . 20 1 1 A 17 17 GLY H H 17 8.399 8.274 0.125 1
1 183 . 20 1 1 A 17 17 GLY HA2 H 17 4.293 3.901 0.392 1
1 184 . 20 1 1 A 17 17 GLY HA3 H 17 3.481 3.907 -0.426 1
1 185 . 20 1 1 A 17 17 GLY C C 17 174.700 174.335 0.365 1
1 186 . 20 1 1 A 17 17 GLY CA C 17 44.998 44.975 0.023 1
1 187 . 20 1 1 A 17 17 GLY N N 17 108.859 107.728 1.131 1
1 188 . 20 1 1 A 18 18 THR H H 18 8.003 7.811 0.192 1
1 189 . 20 1 1 A 18 18 THR HA H 18 4.151 4.594 -0.443 1
1 194 . 20 1 1 A 18 18 THR C C 18 172.576 173.564 -0.988 1
1 195 . 20 1 1 A 18 18 THR CA C 18 63.144 61.647 1.497 1
1 196 . 20 1 1 A 18 18 THR CB C 18 69.888 70.590 -0.702 1
1 198 . 20 1 1 A 18 18 THR N N 18 116.015 116.528 -0.513 1
1 199 . 20 1 1 A 19 19 VAL H H 19 8.384 8.686 -0.302 1
1 200 . 20 1 1 A 19 19 VAL HA H 19 4.726 4.852 -0.126 1
1 208 . 20 1 1 A 19 19 VAL C C 19 175.823 174.235 1.588 1
1 209 . 20 1 1 A 19 19 VAL CA C 19 61.491 60.812 0.679 1
1 210 . 20 1 1 A 19 19 VAL CB C 19 33.757 34.156 -0.399 1
1 213 . 20 1 1 A 19 19 VAL N N 19 121.723 122.275 -0.552 1
1 214 . 20 1 1 A 20 20 LEU H H 20 8.948 9.205 -0.257 1
1 215 . 20 1 1 A 20 20 LEU HA H 20 4.784 5.133 -0.349 1
1 225 . 20 1 1 A 20 20 LEU C C 20 174.749 176.247 -1.498 1
1 226 . 20 1 1 A 20 20 LEU CA C 20 53.616 53.507 0.109 1
1 227 . 20 1 1 A 20 20 LEU CB C 20 45.062 44.400 0.662 1
1 231 . 20 1 1 A 20 20 LEU N N 20 129.673 130.476 -0.803 1
1 232 . 20 1 1 A 21 21 SER H H 21 9.246 8.783 0.463 1
1 233 . 20 1 1 A 21 21 SER HA H 21 5.207 5.005 0.202 1
1 236 . 20 1 1 A 21 21 SER C C 21 176.047 176.080 -0.033 1
1 237 . 20 1 1 A 21 21 SER CA C 21 56.523 56.419 0.104 1
1 238 . 20 1 1 A 21 21 SER CB C 21 66.369 66.431 -0.062 1
1 239 . 20 1 1 A 21 21 SER N N 21 120.387 119.163 1.224 1
1 240 . 20 1 1 A 22 22 ARG H H 22 8.847 8.984 -0.137 1
1 241 . 20 1 1 A 22 22 ARG HA H 22 3.868 4.193 -0.325 1
1 248 . 20 1 1 A 22 22 ARG C C 22 178.388 177.418 0.970 1
1 249 . 20 1 1 A 22 22 ARG CA C 22 60.207 59.215 0.992 1
1 250 . 20 1 1 A 22 22 ARG CB C 22 29.118 29.894 -0.776 1
1 253 . 20 1 1 A 22 22 ARG N N 22 122.878 121.265 1.613 1
1 254 . 20 1 1 A 23 23 ALA H H 23 8.243 7.906 0.337 1
1 255 . 20 1 1 A 23 23 ALA HA H 23 4.175 4.261 -0.086 1
1 259 . 20 1 1 A 23 23 ALA C C 23 177.763 179.480 -1.717 1
1 260 . 20 1 1 A 23 23 ALA CA C 23 54.000 53.270 0.730 1
1 261 . 20 1 1 A 23 23 ALA CB C 23 18.461 19.057 -0.596 1
1 262 . 20 1 1 A 23 23 ALA N N 23 121.050 122.406 -1.356 1
1 263 . 20 1 1 A 24 24 ASP H H 24 7.597 7.876 -0.279 1
1 264 . 20 1 1 A 24 24 ASP HA H 24 4.632 4.585 0.047 1
1 267 . 20 1 1 A 24 24 ASP C C 24 176.608 176.598 0.010 1
1 268 . 20 1 1 A 24 24 ASP CA C 24 54.726 56.048 -1.322 1
1 269 . 20 1 1 A 24 24 ASP CB C 24 42.026 41.292 0.734 1
1 270 . 20 1 1 A 24 24 ASP N N 24 115.095 118.423 -3.328 1
1 271 . 20 1 1 A 25 25 LEU H H 25 7.311 7.076 0.235 1
1 272 . 20 1 1 A 25 25 LEU HA H 25 4.402 4.485 -0.083 1
1 282 . 20 1 1 A 25 25 LEU C C 25 174.724 174.901 -0.177 1
1 283 . 20 1 1 A 25 25 LEU CA C 25 53.307 53.914 -0.607 1
1 284 . 20 1 1 A 25 25 LEU CB C 25 40.047 41.631 -1.584 1
1 288 . 20 1 1 A 25 25 LEU N N 25 119.781 122.269 -2.488 1
1 289 . 20 1 1 A 26 26 PRO HA H 26 4.745 4.718 0.027 1
1 296 . 20 1 1 A 26 26 PRO CA C 26 61.496 61.804 -0.308 1
1 297 . 20 1 1 A 26 26 PRO CB C 26 30.700 31.796 -1.096 1
1 300 . 20 1 1 A 27 27 PRO HA H 27 4.598 4.611 -0.013 1
1 307 . 20 1 1 A 27 27 PRO C C 27 178.036 177.045 0.991 1
1 308 . 20 1 1 A 27 27 PRO CA C 27 62.923 62.567 0.356 1
1 309 . 20 1 1 A 27 27 PRO CB C 27 32.758 32.417 0.341 1
1 312 . 20 1 1 A 28 28 LEU H H 28 8.880 8.396 0.484 1
1 313 . 20 1 1 A 28 28 LEU HA H 28 4.177 4.417 -0.240 1
1 323 . 20 1 1 A 28 28 LEU C C 28 176.873 177.816 -0.943 1
1 324 . 20 1 1 A 28 28 LEU CA C 28 57.833 56.234 1.599 1
1 325 . 20 1 1 A 28 28 LEU CB C 28 41.291 41.506 -0.215 1
1 329 . 20 1 1 A 28 28 LEU N N 28 122.643 121.717 0.926 1
1 330 . 20 1 1 A 29 29 ASP H H 29 8.203 8.037 0.166 1
1 331 . 20 1 1 A 29 29 ASP HA H 29 4.615 4.572 0.043 1
1 334 . 20 1 1 A 29 29 ASP C C 29 176.158 176.678 -0.520 1
1 335 . 20 1 1 A 29 29 ASP CA C 29 53.098 55.571 -2.473 1
1 336 . 20 1 1 A 29 29 ASP CB C 29 39.311 41.406 -2.095 1
1 337 . 20 1 1 A 29 29 ASP N N 29 115.741 117.329 -1.588 1
1 338 . 20 1 1 A 30 30 THR H H 30 7.516 7.470 0.046 1
1 339 . 20 1 1 A 30 30 THR HA H 30 3.599 4.001 -0.402 1
1 344 . 20 1 1 A 30 30 THR C C 30 174.366 173.468 0.898 1
1 345 . 20 1 1 A 30 30 THR CA C 30 65.815 63.952 1.863 1
1 346 . 20 1 1 A 30 30 THR CB C 30 69.989 68.156 1.833 1
1 348 . 20 1 1 A 30 30 THR N N 30 116.808 114.653 2.155 1
1 349 . 20 1 1 A 31 31 ARG H H 31 8.482 8.700 -0.218 1
1 350 . 20 1 1 A 31 31 ARG HA H 31 4.583 4.698 -0.115 1
1 358 . 20 1 1 A 31 31 ARG CA C 31 55.399 56.748 -1.349 1
1 359 . 20 1 1 A 31 31 ARG CB C 31 32.296 32.001 0.295 1
1 362 . 20 1 1 A 31 31 ARG N N 31 124.991 126.470 -1.479 1
1 364 . 20 1 1 A 32 32 ARG HA H 32 4.523 4.455 0.068 1
1 372 . 20 1 1 A 32 32 ARG C C 32 175.341 174.703 0.638 1
1 373 . 20 1 1 A 32 32 ARG CA C 32 54.759 55.067 -0.308 1
1 374 . 20 1 1 A 32 32 ARG CB C 32 30.348 29.050 1.298 1
1 378 . 20 1 1 A 33 33 TRP H H 33 8.923 8.687 0.236 1
1 379 . 20 1 1 A 33 33 TRP HA H 33 4.292 4.860 -0.568 1
1 388 . 20 1 1 A 33 33 TRP C C 33 176.208 176.199 0.009 1
1 389 . 20 1 1 A 33 33 TRP CA C 33 56.923 57.860 -0.937 1
1 390 . 20 1 1 A 33 33 TRP CB C 33 28.492 30.372 -1.880 1
1 396 . 20 1 1 A 33 33 TRP N N 33 128.804 126.996 1.808 1
1 398 . 20 1 1 A 34 34 VAL H H 34 6.953 8.694 -1.741 1
1 399 . 20 1 1 A 34 34 VAL HA H 34 4.451 4.705 -0.254 1
1 407 . 20 1 1 A 34 34 VAL C C 34 177.217 176.284 0.933 1
1 408 . 20 1 1 A 34 34 VAL CA C 34 60.180 58.971 1.209 1
1 409 . 20 1 1 A 34 34 VAL CB C 34 32.686 34.692 -2.006 1
1 412 . 20 1 1 A 34 34 VAL N N 34 114.683 115.251 -0.568 1
1 413 . 20 1 1 A 35 35 ALA HA H 35 3.745 3.841 -0.096 1
1 417 . 20 1 1 A 35 35 ALA C C 35 180.114 179.729 0.385 1
1 418 . 20 1 1 A 35 35 ALA CA C 35 56.618 55.551 1.067 1
1 419 . 20 1 1 A 35 35 ALA CB C 35 18.334 18.036 0.298 1
1 420 . 20 1 1 A 36 36 SER H H 36 8.841 8.075 0.766 1
1 421 . 20 1 1 A 36 36 SER HA H 36 4.140 4.167 -0.027 1
1 424 . 20 1 1 A 36 36 SER C C 36 177.291 176.682 0.609 1
1 425 . 20 1 1 A 36 36 SER CA C 36 61.250 60.814 0.436 1
1 426 . 20 1 1 A 36 36 SER CB C 36 61.673 62.889 -1.216 1
1 427 . 20 1 1 A 36 36 SER N N 36 111.913 113.297 -1.384 1
1 428 . 20 1 1 A 37 37 ARG H H 37 7.183 7.441 -0.258 1
1 429 . 20 1 1 A 37 37 ARG HA H 37 4.349 4.243 0.106 1
1 436 . 20 1 1 A 37 37 ARG C C 37 177.816 178.650 -0.834 1
1 437 . 20 1 1 A 37 37 ARG CA C 37 58.944 58.863 0.081 1
1 438 . 20 1 1 A 37 37 ARG CB C 37 31.009 29.829 1.180 1
1 441 . 20 1 1 A 37 37 ARG N N 37 123.504 121.674 1.830 1
1 442 . 20 1 1 A 38 38 LYS H H 38 7.514 7.963 -0.449 1
1 443 . 20 1 1 A 38 38 LYS HA H 38 3.592 3.295 0.297 1
1 452 . 20 1 1 A 38 38 LYS C C 38 178.935 178.751 0.184 1
1 453 . 20 1 1 A 38 38 LYS CA C 38 59.846 59.008 0.838 1
1 454 . 20 1 1 A 38 38 LYS CB C 38 33.310 31.527 1.783 1
1 458 . 20 1 1 A 38 38 LYS N N 38 118.200 119.426 -1.226 1
1 459 . 20 1 1 A 39 39 ALA H H 39 8.131 8.177 -0.046 1
1 460 . 20 1 1 A 39 39 ALA HA H 39 3.865 4.019 -0.154 1
1 464 . 20 1 1 A 39 39 ALA C C 39 178.995 179.617 -0.622 1
1 465 . 20 1 1 A 39 39 ALA CA C 39 55.093 55.041 0.052 1
1 466 . 20 1 1 A 39 39 ALA CB C 39 18.124 17.837 0.287 1
1 467 . 20 1 1 A 39 39 ALA N N 39 117.547 122.178 -4.631 1
1 468 . 20 1 1 A 40 40 ALA H H 40 7.375 7.694 -0.319 1
1 469 . 20 1 1 A 40 40 ALA HA H 40 4.134 4.112 0.022 1
1 473 . 20 1 1 A 40 40 ALA C C 40 179.512 180.017 -0.505 1
1 474 . 20 1 1 A 40 40 ALA CA C 40 55.506 55.241 0.265 1
1 475 . 20 1 1 A 40 40 ALA CB C 40 18.473 18.402 0.071 1
1 476 . 20 1 1 A 40 40 ALA N N 40 119.346 120.029 -0.683 1
1 477 . 20 1 1 A 41 41 VAL H H 41 7.382 7.906 -0.524 1
1 478 . 20 1 1 A 41 41 VAL HA H 41 3.642 3.728 -0.086 1
1 486 . 20 1 1 A 41 41 VAL C C 41 177.423 178.453 -1.030 1
1 487 . 20 1 1 A 41 41 VAL CA C 41 67.279 67.153 0.126 1
1 488 . 20 1 1 A 41 41 VAL CB C 41 32.149 31.707 0.442 1
1 491 . 20 1 1 A 41 41 VAL N N 41 116.434 118.365 -1.931 1
1 492 . 20 1 1 A 42 42 VAL H H 42 8.332 8.227 0.105 1
1 493 . 20 1 1 A 42 42 VAL HA H 42 3.723 3.980 -0.257 1
1 501 . 20 1 1 A 42 42 VAL C C 42 178.381 177.914 0.467 1
1 502 . 20 1 1 A 42 42 VAL CA C 42 67.698 65.305 2.393 1
1 503 . 20 1 1 A 42 42 VAL CB C 42 32.170 31.212 0.958 1
1 506 . 20 1 1 A 42 42 VAL N N 42 118.061 120.507 -2.446 1
1 507 . 20 1 1 A 43 43 LYS H H 43 8.973 8.074 0.899 1
1 508 . 20 1 1 A 43 43 LYS HA H 43 3.977 3.957 0.020 1
1 517 . 20 1 1 A 43 43 LYS C C 43 177.830 179.256 -1.426 1
1 518 . 20 1 1 A 43 43 LYS CA C 43 60.343 59.471 0.872 1
1 519 . 20 1 1 A 43 43 LYS CB C 43 32.863 32.083 0.780 1
1 523 . 20 1 1 A 43 43 LYS N N 43 118.026 122.655 -4.629 1
1 524 . 20 1 1 A 44 44 ALA H H 44 7.959 8.057 -0.098 1
1 525 . 20 1 1 A 44 44 ALA HA H 44 3.968 4.089 -0.121 1
1 529 . 20 1 1 A 44 44 ALA C C 44 178.921 180.117 -1.196 1
1 530 . 20 1 1 A 44 44 ALA CA C 44 55.324 55.304 0.020 1
1 531 . 20 1 1 A 44 44 ALA CB C 44 19.816 18.178 1.638 1
1 532 . 20 1 1 A 44 44 ALA N N 44 119.893 122.579 -2.686 1
1 533 . 20 1 1 A 45 45 VAL H H 45 7.789 7.688 0.101 1
1 534 . 20 1 1 A 45 45 VAL HA H 45 4.494 4.052 0.442 1
1 542 . 20 1 1 A 45 45 VAL C C 45 180.590 178.348 2.242 1
1 543 . 20 1 1 A 45 45 VAL CA C 45 64.383 66.939 -2.556 1
1 544 . 20 1 1 A 45 45 VAL CB C 45 32.456 31.457 0.999 1
1 547 . 20 1 1 A 45 45 VAL N N 45 118.569 118.041 0.528 1
1 548 . 20 1 1 A 46 46 ILE H H 46 8.945 8.299 0.646 1
1 549 . 20 1 1 A 46 46 ILE HA H 46 3.689 3.716 -0.027 1
1 559 . 20 1 1 A 46 46 ILE C C 46 178.437 177.695 0.742 1
1 560 . 20 1 1 A 46 46 ILE CA C 46 65.391 64.630 0.761 1
1 561 . 20 1 1 A 46 46 ILE CB C 46 38.182 37.492 0.690 1
1 565 . 20 1 1 A 46 46 ILE N N 46 121.331 119.684 1.647 1
1 566 . 20 1 1 A 47 47 HIS H H 47 8.030 7.596 0.434 1
1 567 . 20 1 1 A 47 47 HIS HA H 47 4.663 4.585 0.078 1
1 572 . 20 1 1 A 47 47 HIS C C 47 175.308 175.306 0.002 1
1 573 . 20 1 1 A 47 47 HIS CA C 47 56.736 55.987 0.749 1
1 574 . 20 1 1 A 47 47 HIS CB C 47 29.482 30.015 -0.533 1
1 577 . 20 1 1 A 47 47 HIS N N 47 113.700 117.446 -3.746 1
1 578 . 20 1 1 A 48 48 GLY H H 48 7.543 7.671 -0.128 1
1 579 . 20 1 1 A 48 48 GLY HA2 H 48 4.026 3.942 0.084 1
1 580 . 20 1 1 A 48 48 GLY HA3 H 48 3.904 3.950 -0.046 1
1 581 . 20 1 1 A 48 48 GLY C C 48 175.172 175.152 0.020 1
1 582 . 20 1 1 A 48 48 GLY CA C 48 46.740 46.486 0.254 1
1 583 . 20 1 1 A 48 48 GLY N N 48 106.113 108.109 -1.996 1
1 584 . 20 1 1 A 49 49 LEU H H 49 8.803 8.126 0.677 1
1 585 . 20 1 1 A 49 49 LEU HA H 49 4.090 4.121 -0.031 1
1 595 . 20 1 1 A 49 49 LEU C C 49 176.111 176.437 -0.326 1
1 596 . 20 1 1 A 49 49 LEU CA C 49 57.575 57.739 -0.164 1
1 597 . 20 1 1 A 49 49 LEU CB C 49 42.969 42.589 0.380 1
1 601 . 20 1 1 A 49 49 LEU N N 49 122.636 122.039 0.597 1
1 602 . 20 1 1 A 50 50 ILE H H 50 7.257 7.301 -0.044 1
1 603 . 20 1 1 A 50 50 ILE HA H 50 4.689 4.853 -0.164 1
1 613 . 20 1 1 A 50 50 ILE C C 50 174.994 174.630 0.364 1
1 614 . 20 1 1 A 50 50 ILE CA C 50 58.262 58.988 -0.726 1
1 615 . 20 1 1 A 50 50 ILE CB C 50 41.641 40.985 0.656 1
1 619 . 20 1 1 A 50 50 ILE N N 50 107.650 114.592 -6.942 1
1 620 . 20 1 1 A 51 51 THR H H 51 8.677 8.066 0.611 1
1 621 . 20 1 1 A 51 51 THR HA H 51 4.466 4.625 -0.159 1
1 627 . 20 1 1 A 51 51 THR C C 51 175.227 175.153 0.074 1
1 628 . 20 1 1 A 51 51 THR CA C 51 60.728 60.602 0.126 1
1 629 . 20 1 1 A 51 51 THR CB C 51 71.216 70.287 0.929 1
1 631 . 20 1 1 A 51 51 THR N N 51 111.798 117.001 -5.203 1
1 632 . 20 1 1 A 52 52 GLU H H 52 9.034 8.990 0.044 1
1 633 . 20 1 1 A 52 52 GLU HA H 52 3.507 3.445 0.062 1
1 638 . 20 1 1 A 52 52 GLU C C 52 177.287 177.967 -0.680 1
1 639 . 20 1 1 A 52 52 GLU CA C 52 60.515 59.486 1.029 1
1 640 . 20 1 1 A 52 52 GLU CB C 52 29.418 29.134 0.284 1
1 642 . 20 1 1 A 52 52 GLU N N 52 122.067 126.043 -3.976 1
1 643 . 20 1 1 A 53 53 ARG H H 53 8.213 7.850 0.363 1
1 644 . 20 1 1 A 53 53 ARG HA H 53 3.740 4.013 -0.273 1
1 652 . 20 1 1 A 53 53 ARG C C 53 177.698 178.662 -0.964 1
1 653 . 20 1 1 A 53 53 ARG CA C 53 58.635 58.510 0.125 1
1 654 . 20 1 1 A 53 53 ARG CB C 53 30.257 29.738 0.519 1
1 658 . 20 1 1 A 53 53 ARG N N 53 116.853 119.428 -2.575 1
1 660 . 20 1 1 A 54 54 GLU H H 54 7.747 7.800 -0.053 1
1 661 . 20 1 1 A 54 54 GLU HA H 54 3.978 4.084 -0.106 1
1 666 . 20 1 1 A 54 54 GLU C C 54 178.915 178.363 0.552 1
1 667 . 20 1 1 A 54 54 GLU CA C 54 59.312 58.974 0.338 1
1 668 . 20 1 1 A 54 54 GLU CB C 54 29.678 29.188 0.490 1
1 670 . 20 1 1 A 54 54 GLU N N 54 118.040 119.367 -1.327 1
1 671 . 20 1 1 A 55 55 ALA H H 55 7.932 7.849 0.083 1
1 672 . 20 1 1 A 55 55 ALA HA H 55 3.694 4.287 -0.593 1
1 676 . 20 1 1 A 55 55 ALA C C 55 178.383 180.227 -1.844 1
1 677 . 20 1 1 A 55 55 ALA CA C 55 55.871 55.233 0.638 1
1 678 . 20 1 1 A 55 55 ALA CB C 55 17.664 18.162 -0.498 1
1 679 . 20 1 1 A 55 55 ALA N N 55 122.121 122.425 -0.304 1
1 680 . 20 1 1 A 56 56 LEU H H 56 8.110 8.082 0.028 1
1 681 . 20 1 1 A 56 56 LEU HA H 56 3.605 3.800 -0.195 1
1 691 . 20 1 1 A 56 56 LEU C C 56 180.273 179.336 0.937 1
1 692 . 20 1 1 A 56 56 LEU CA C 56 58.167 57.904 0.263 1
1 693 . 20 1 1 A 56 56 LEU CB C 56 39.563 41.296 -1.733 1
1 697 . 20 1 1 A 56 56 LEU N N 56 114.908 119.080 -4.172 1
1 698 . 20 1 1 A 57 57 ASP H H 57 8.080 8.388 -0.308 1
1 699 . 20 1 1 A 57 57 ASP HA H 57 4.353 4.289 0.064 1
1 702 . 20 1 1 A 57 57 ASP C C 57 179.121 178.406 0.715 1
1 703 . 20 1 1 A 57 57 ASP CA C 57 56.644 57.389 -0.745 1
1 704 . 20 1 1 A 57 57 ASP CB C 57 40.909 41.085 -0.176 1
1 705 . 20 1 1 A 57 57 ASP N N 57 117.019 119.704 -2.685 1
1 706 . 20 1 1 A 58 58 ARG H H 58 8.584 8.512 0.072 1
1 707 . 20 1 1 A 58 58 ARG HA H 58 3.728 4.004 -0.276 1
1 715 . 20 1 1 A 58 58 ARG C C 58 177.362 176.935 0.427 1
1 716 . 20 1 1 A 58 58 ARG CA C 58 59.141 58.875 0.266 1
1 717 . 20 1 1 A 58 58 ARG CB C 58 30.462 29.833 0.629 1
1 720 . 20 1 1 A 58 58 ARG N N 58 119.926 118.228 1.698 1
1 722 . 20 1 1 A 59 59 TYR H H 59 7.133 7.660 -0.527 1
1 723 . 20 1 1 A 59 59 TYR HA H 59 5.018 4.776 0.242 1
1 730 . 20 1 1 A 59 59 TYR C C 59 173.865 175.125 -1.260 1
1 731 . 20 1 1 A 59 59 TYR CA C 59 57.348 57.693 -0.345 1
1 732 . 20 1 1 A 59 59 TYR CB C 59 38.052 39.071 -1.019 1
1 737 . 20 1 1 A 59 59 TYR N N 59 111.796 118.419 -6.623 1
1 738 . 20 1 1 A 60 60 SER H H 60 7.542 8.150 -0.608 1
1 739 . 20 1 1 A 60 60 SER HA H 60 4.082 4.225 -0.143 1
1 742 . 20 1 1 A 60 60 SER C C 60 176.402 173.085 3.317 1
1 743 . 20 1 1 A 60 60 SER CA C 60 58.482 59.196 -0.714 1
1 744 . 20 1 1 A 60 60 SER CB C 60 61.229 61.651 -0.422 1
1 745 . 20 1 1 A 60 60 SER N N 60 114.624 115.313 -0.689 1
1 746 . 20 1 1 A 61 61 LEU H H 61 8.228 8.071 0.157 1
1 747 . 20 1 1 A 61 61 LEU HA H 61 4.583 4.743 -0.160 1
1 757 . 20 1 1 A 61 61 LEU C C 61 176.463 176.138 0.325 1
1 758 . 20 1 1 A 61 61 LEU CA C 61 52.478 53.649 -1.171 1
1 759 . 20 1 1 A 61 61 LEU CB C 61 45.873 44.222 1.651 1
1 763 . 20 1 1 A 61 61 LEU N N 61 119.424 120.982 -1.558 1
1 764 . 20 1 1 A 62 62 SER H H 62 8.376 8.926 -0.550 1
1 765 . 20 1 1 A 62 62 SER HA H 62 4.555 4.630 -0.075 1
1 768 . 20 1 1 A 62 62 SER C C 62 175.088 175.471 -0.383 1
1 769 . 20 1 1 A 62 62 SER CA C 62 56.123 57.173 -1.050 1
1 770 . 20 1 1 A 62 62 SER CB C 62 65.560 64.946 0.614 1
1 771 . 20 1 1 A 62 62 SER N N 62 115.890 119.061 -3.171 1
1 772 . 20 1 1 A 63 63 GLU H H 63 9.204 8.983 0.221 1
1 773 . 20 1 1 A 63 63 GLU HA H 63 3.806 3.966 -0.160 1
1 778 . 20 1 1 A 63 63 GLU C C 63 179.412 178.311 1.101 1
1 779 . 20 1 1 A 63 63 GLU CA C 63 60.338 59.757 0.581 1
1 780 . 20 1 1 A 63 63 GLU CB C 63 29.354 29.290 0.064 1
1 782 . 20 1 1 A 63 63 GLU N N 63 122.263 124.417 -2.154 1
1 783 . 20 1 1 A 64 64 GLU H H 64 8.859 8.582 0.277 1
1 784 . 20 1 1 A 64 64 GLU HA H 64 3.969 4.029 -0.060 1
1 789 . 20 1 1 A 64 64 GLU C C 64 178.700 178.508 0.192 1
1 790 . 20 1 1 A 64 64 GLU CA C 64 59.822 58.679 1.143 1
1 791 . 20 1 1 A 64 64 GLU CB C 64 29.210 28.259 0.951 1
1 793 . 20 1 1 A 64 64 GLU N N 64 119.056 118.295 0.761 1
1 794 . 20 1 1 A 65 65 GLU H H 65 7.864 7.654 0.210 1
1 795 . 20 1 1 A 65 65 GLU HA H 65 3.960 4.083 -0.123 1
1 800 . 20 1 1 A 65 65 GLU C C 65 177.783 178.584 -0.801 1
1 801 . 20 1 1 A 65 65 GLU CA C 65 58.817 58.791 0.026 1
1 802 . 20 1 1 A 65 65 GLU CB C 65 29.452 29.998 -0.546 1
1 804 . 20 1 1 A 65 65 GLU N N 65 121.783 120.451 1.332 1
1 805 . 20 1 1 A 66 66 PHE H H 66 7.918 7.816 0.102 1
1 806 . 20 1 1 A 66 66 PHE HA H 66 3.294 3.471 -0.177 1
1 814 . 20 1 1 A 66 66 PHE C C 66 177.021 177.830 -0.809 1
1 815 . 20 1 1 A 66 66 PHE CA C 66 61.197 61.250 -0.053 1
1 816 . 20 1 1 A 66 66 PHE CB C 66 39.279 38.862 0.417 1
1 820 . 20 1 1 A 66 66 PHE N N 66 117.902 120.388 -2.486 1
1 821 . 20 1 1 A 67 67 ALA H H 67 8.011 8.608 -0.597 1
1 822 . 20 1 1 A 67 67 ALA HA H 67 3.839 4.086 -0.247 1
1 826 . 20 1 1 A 67 67 ALA C C 67 181.069 180.281 0.788 1
1 827 . 20 1 1 A 67 67 ALA CA C 67 55.296 55.171 0.125 1
1 828 . 20 1 1 A 67 67 ALA CB C 67 17.648 18.110 -0.462 1
1 829 . 20 1 1 A 67 67 ALA N N 67 119.951 121.238 -1.287 1
1 830 . 20 1 1 A 68 68 LEU H H 68 7.431 7.955 -0.524 1
1 831 . 20 1 1 A 68 68 LEU HA H 68 4.162 4.081 0.081 1
1 841 . 20 1 1 A 68 68 LEU C C 68 180.631 179.287 1.344 1
1 842 . 20 1 1 A 68 68 LEU CA C 68 57.621 57.683 -0.062 1
1 843 . 20 1 1 A 68 68 LEU CB C 68 41.083 42.266 -1.183 1
1 847 . 20 1 1 A 68 68 LEU N N 68 119.888 119.564 0.324 1
1 848 . 20 1 1 A 69 69 TRP H H 69 8.288 8.130 0.158 1
1 849 . 20 1 1 A 69 69 TRP HA H 69 4.341 4.164 0.177 1
1 858 . 20 1 1 A 69 69 TRP C C 69 179.178 179.093 0.085 1
1 859 . 20 1 1 A 69 69 TRP CA C 69 59.228 60.316 -1.088 1
1 860 . 20 1 1 A 69 69 TRP CB C 69 28.387 28.699 -0.312 1
1 866 . 20 1 1 A 69 69 TRP N N 69 122.616 118.980 3.636 1
1 868 . 20 1 1 A 70 70 ARG H H 70 8.291 7.948 0.343 1
1 869 . 20 1 1 A 70 70 ARG HA H 70 3.743 3.987 -0.244 1
1 877 . 20 1 1 A 70 70 ARG C C 70 178.811 178.229 0.582 1
1 878 . 20 1 1 A 70 70 ARG CA C 70 59.614 58.757 0.857 1
1 879 . 20 1 1 A 70 70 ARG CB C 70 30.171 29.789 0.382 1
1 882 . 20 1 1 A 70 70 ARG N N 70 117.864 118.044 -0.180 1
1 884 . 20 1 1 A 71 71 SER H H 71 8.000 7.718 0.282 1
1 885 . 20 1 1 A 71 71 SER HA H 71 4.212 4.256 -0.044 1
1 888 . 20 1 1 A 71 71 SER C C 71 176.074 175.502 0.572 1
1 889 . 20 1 1 A 71 71 SER CA C 71 61.074 61.643 -0.569 1
1 890 . 20 1 1 A 71 71 SER CB C 71 62.891 63.254 -0.363 1
1 891 . 20 1 1 A 71 71 SER N N 71 114.582 117.290 -2.708 1
1 892 . 20 1 1 A 72 72 ALA H H 72 7.816 7.693 0.123 1
1 893 . 20 1 1 A 72 72 ALA HA H 72 4.230 4.319 -0.089 1
1 897 . 20 1 1 A 72 72 ALA C C 72 179.631 179.940 -0.309 1
1 898 . 20 1 1 A 72 72 ALA CA C 72 54.245 53.926 0.319 1
1 899 . 20 1 1 A 72 72 ALA CB C 72 18.687 19.247 -0.560 1
1 900 . 20 1 1 A 72 72 ALA N N 72 124.141 122.878 1.263 1
1 901 . 20 1 1 A 73 73 VAL H H 73 7.728 8.229 -0.501 1
1 902 . 20 1 1 A 73 73 VAL HA H 73 3.850 3.723 0.127 1
1 910 . 20 1 1 A 73 73 VAL C C 73 177.286 178.048 -0.762 1
1 911 . 20 1 1 A 73 73 VAL CA C 73 64.163 66.047 -1.884 1
1 912 . 20 1 1 A 73 73 VAL CB C 73 32.466 31.838 0.628 1
1 915 . 20 1 1 A 73 73 VAL N N 73 117.289 118.452 -1.163 1
1 916 . 20 1 1 A 74 74 ALA H H 74 7.960 7.903 0.057 1
1 917 . 20 1 1 A 74 74 ALA HA H 74 4.195 4.132 0.063 1
1 921 . 20 1 1 A 74 74 ALA C C 74 178.318 179.597 -1.279 1
1 922 . 20 1 1 A 74 74 ALA CA C 74 53.559 55.202 -1.643 1
1 923 . 20 1 1 A 74 74 ALA CB C 74 18.612 18.189 0.423 1
1 924 . 20 1 1 A 74 74 ALA N N 74 123.977 122.243 1.734 1
1 925 . 20 1 1 A 75 75 ALA H H 75 7.889 7.777 0.112 1
1 926 . 20 1 1 A 75 75 ALA HA H 75 4.214 4.710 -0.496 1
1 930 . 20 1 1 A 75 75 ALA C C 75 178.233 177.766 0.467 1
1 931 . 20 1 1 A 75 75 ALA CA C 75 53.242 52.504 0.738 1
1 932 . 20 1 1 A 75 75 ALA CB C 75 18.812 19.360 -0.548 1
1 933 . 20 1 1 A 75 75 ALA N N 75 120.956 119.043 1.913 1
1 934 . 20 1 1 A 76 76 HIS H H 76 8.057 7.494 0.563 1
1 935 . 20 1 1 A 76 76 HIS HA H 76 4.585 4.539 0.046 1
1 939 . 20 1 1 A 76 76 HIS C C 76 176.217 175.302 0.915 1
1 940 . 20 1 1 A 76 76 HIS CA C 76 56.644 56.353 0.291 1
1 941 . 20 1 1 A 76 76 HIS CB C 76 30.282 29.617 0.665 1
1 943 . 20 1 1 A 76 76 HIS N N 76 117.302 119.328 -2.026 1
1 944 . 20 1 1 A 77 77 GLY H H 77 8.229 8.407 -0.178 1
1 945 . 20 1 1 A 77 77 GLY HA2 H 77 3.951 3.977 -0.026 1
1 946 . 20 1 1 A 77 77 GLY HA3 H 77 3.951 4.154 -0.203 1
1 947 . 20 1 1 A 77 77 GLY C C 77 174.415 174.594 -0.179 1
1 948 . 20 1 1 A 77 77 GLY CA C 77 45.560 45.411 0.149 1
1 949 . 20 1 1 A 77 77 GLY N N 77 109.118 113.105 -3.987 1
1 950 . 20 1 1 A 78 78 GLU H H 78 8.335 7.983 0.352 1
1 951 . 20 1 1 A 78 78 GLU HA H 78 4.210 4.164 0.046 1
1 956 . 20 1 1 A 78 78 GLU C C 78 177.052 177.432 -0.380 1
1 957 . 20 1 1 A 78 78 GLU CA C 78 56.836 57.293 -0.457 1
1 958 . 20 1 1 A 78 78 GLU CB C 78 30.136 29.217 0.919 1
1 960 . 20 1 1 A 78 78 GLU N N 78 120.947 119.807 1.140 1
1 961 . 20 1 1 A 79 79 LYS H H 79 8.299 7.827 0.472 1
1 962 . 20 1 1 A 79 79 LYS HA H 79 4.205 4.156 0.049 1
1 971 . 20 1 1 A 79 79 LYS C C 79 176.656 176.938 -0.282 1
1 972 . 20 1 1 A 79 79 LYS CA C 79 57.057 58.063 -1.006 1
1 973 . 20 1 1 A 79 79 LYS CB C 79 32.811 33.117 -0.306 1
1 977 . 20 1 1 A 79 79 LYS N N 79 121.638 118.717 2.921 1
1 978 . 20 1 1 A 80 80 ALA H H 80 8.142 7.644 0.498 1
1 979 . 20 1 1 A 80 80 ALA HA H 80 4.245 4.674 -0.429 1
1 983 . 20 1 1 A 80 80 ALA C C 80 177.868 175.626 2.242 1
1 984 . 20 1 1 A 80 80 ALA CA C 80 52.706 51.414 1.292 1
1 985 . 20 1 1 A 80 80 ALA CB C 80 19.117 22.460 -3.343 1
1 986 . 20 1 1 A 80 80 ALA N N 80 123.770 117.464 6.306 1
1 987 . 20 1 1 A 81 81 LEU H H 81 8.040 8.811 -0.771 1
1 988 . 20 1 1 A 81 81 LEU HA H 81 4.245 4.919 -0.674 1
1 998 . 20 1 1 A 81 81 LEU C C 81 177.434 175.558 1.876 1
1 999 . 20 1 1 A 81 81 LEU CA C 81 55.673 54.188 1.485 1
1 1000 . 20 1 1 A 81 81 LEU CB C 81 42.160 42.356 -0.196 1
1 1004 . 20 1 1 A 81 81 LEU N N 81 120.893 122.483 -1.590 1
1 1005 . 20 1 1 A 82 82 LYS H H 82 8.178 8.190 -0.012 1
1 1006 . 20 1 1 A 82 82 LYS HA H 82 4.283 4.474 -0.191 1
1 1015 . 20 1 1 A 82 82 LYS C C 82 176.810 177.551 -0.741 1
1 1016 . 20 1 1 A 82 82 LYS CA C 82 56.715 55.555 1.160 1
1 1017 . 20 1 1 A 82 82 LYS CB C 82 32.846 34.085 -1.239 1
1 1021 . 20 1 1 A 82 82 LYS N N 82 121.957 124.611 -2.654 1
1 1022 . 20 1 1 A 83 83 VAL H H 83 8.123 8.579 -0.456 1
1 1023 . 20 1 1 A 83 83 VAL HA H 83 4.093 3.825 0.268 1
1 1031 . 20 1 1 A 83 83 VAL C C 83 176.604 177.597 -0.993 1
1 1032 . 20 1 1 A 83 83 VAL CA C 83 62.964 65.683 -2.719 1
1 1033 . 20 1 1 A 83 83 VAL CB C 83 32.742 31.552 1.190 1
1 1036 . 20 1 1 A 83 83 VAL N N 83 121.150 125.505 -4.355 1
1 1037 . 20 1 1 A 84 84 THR H H 84 8.162 8.152 0.010 1
1 1038 . 20 1 1 A 84 84 THR HA H 84 4.276 3.920 0.356 1
1 1043 . 20 1 1 A 84 84 THR C C 84 174.773 177.460 -2.687 1
1 1044 . 20 1 1 A 84 84 THR CA C 84 62.558 66.696 -4.138 1
1 1045 . 20 1 1 A 84 84 THR CB C 84 69.726 68.255 1.471 1
1 1047 . 20 1 1 A 84 84 THR N N 84 117.587 116.842 0.745 1
1 1048 . 20 1 1 A 85 85 MET H H 85 8.353 8.611 -0.258 1
1 1049 . 20 1 1 A 85 85 MET HA H 85 4.448 4.195 0.253 1
1 1054 . 20 1 1 A 85 85 MET C C 85 176.518 178.702 -2.184 1
1 1055 . 20 1 1 A 85 85 MET CA C 85 56.074 57.987 -1.913 1
1 1056 . 20 1 1 A 85 85 MET CB C 85 32.837 31.455 1.382 1
1 1058 . 20 1 1 A 85 85 MET N N 85 122.707 118.147 4.560 1
1 1059 . 20 1 1 A 86 86 ILE H H 86 8.113 7.642 0.471 1
1 1060 . 20 1 1 A 86 86 ILE HA H 86 4.061 3.787 0.274 1
1 1070 . 20 1 1 A 86 86 ILE C C 86 176.712 177.990 -1.278 1
1 1071 . 20 1 1 A 86 86 ILE CA C 86 62.006 64.977 -2.971 1
1 1072 . 20 1 1 A 86 86 ILE CB C 86 38.402 37.317 1.085 1
1 1076 . 20 1 1 A 86 86 ILE N N 86 121.834 120.743 1.091 1
1 1077 . 20 1 1 A 87 87 GLN H H 87 8.328 8.270 0.058 1
1 1078 . 20 1 1 A 87 87 GLN HA H 87 4.190 3.942 0.248 1
1 1085 . 20 1 1 A 87 87 GLN C C 87 176.617 178.084 -1.467 1
1 1086 . 20 1 1 A 87 87 GLN CA C 87 56.798 59.392 -2.594 1
1 1087 . 20 1 1 A 87 87 GLN CB C 87 29.044 28.198 0.846 1
1 1089 . 20 1 1 A 87 87 GLN N N 87 123.529 120.653 2.876 1
1 1091 . 20 1 1 A 88 88 LYS H H 88 8.232 7.468 0.764 1
1 1092 . 20 1 1 A 88 88 LYS HA H 88 4.133 3.932 0.201 1
1 1101 . 20 1 1 A 88 88 LYS C C 88 176.983 178.833 -1.850 1
1 1102 . 20 1 1 A 88 88 LYS CA C 88 57.289 59.053 -1.764 1
1 1103 . 20 1 1 A 88 88 LYS CB C 88 32.806 31.737 1.069 1
1 1107 . 20 1 1 A 88 88 LYS N N 88 121.677 118.604 3.073 1
1 1108 . 20 1 1 A 89 89 TYR H H 89 8.086 7.018 1.068 1
1 1109 . 20 1 1 A 89 89 TYR HA H 89 4.492 4.423 0.069 1
1 1116 . 20 1 1 A 89 89 TYR C C 89 176.250 178.344 -2.094 1
1 1117 . 20 1 1 A 89 89 TYR CA C 89 58.546 60.878 -2.332 1
1 1118 . 20 1 1 A 89 89 TYR CB C 89 38.410 38.331 0.079 1
1 1123 . 20 1 1 A 89 89 TYR N N 89 119.993 119.326 0.667 1
1 1124 . 20 1 1 A 90 90 ARG H H 90 8.127 8.741 -0.614 1
1 1125 . 20 1 1 A 90 90 ARG HA H 90 4.119 4.237 -0.118 1
1 1132 . 20 1 1 A 90 90 ARG C C 90 176.628 178.358 -1.730 1
1 1133 . 20 1 1 A 90 90 ARG CA C 90 57.085 58.251 -1.166 1
1 1134 . 20 1 1 A 90 90 ARG CB C 90 30.568 29.595 0.973 1
1 1137 . 20 1 1 A 90 90 ARG N N 90 121.679 118.274 3.405 1
1 1138 . 20 1 1 A 91 91 GLN H H 91 8.232 7.795 0.437 1
1 1139 . 20 1 1 A 91 91 GLN HA H 91 4.179 4.193 -0.014 1
1 1146 . 20 1 1 A 91 91 GLN C C 91 176.491 178.359 -1.868 1
1 1147 . 20 1 1 A 91 91 GLN CA C 91 56.800 58.285 -1.485 1
1 1148 . 20 1 1 A 91 91 GLN CB C 91 29.129 28.479 0.650 1
1 1150 . 20 1 1 A 91 91 GLN N N 91 120.420 119.411 1.009 1
1 1152 . 20 1 1 A 92 92 LEU H H 92 8.118 7.779 0.339 1
1 1153 . 20 1 1 A 92 92 LEU HA H 92 4.269 4.119 0.150 1
1 1162 . 20 1 1 A 92 92 LEU C C 92 177.632 177.618 0.014 1
1 1163 . 20 1 1 A 92 92 LEU CA C 92 55.419 58.208 -2.789 1
1 1164 . 20 1 1 A 92 92 LEU CB C 92 42.238 41.916 0.322 1
1 1167 . 20 1 1 A 92 92 LEU N N 92 122.670 120.748 1.922 1
1 1168 . 20 1 1 A 93 93 HIS H H 93 8.049 7.698 0.351 1
1 1169 . 20 1 1 A 93 93 HIS HA H 93 4.228 4.897 -0.669 1
1 1172 . 20 1 1 A 93 93 HIS C C 93 177.608 174.022 3.586 1
1 1173 . 20 1 1 A 93 93 HIS CA C 93 55.512 55.372 0.140 1
1 1174 . 20 1 1 A 93 93 HIS CB C 93 42.238 30.050 12.188 1
1 1175 . 20 1 1 A 93 93 HIS N N 93 121.742 118.723 3.019 1
1 1176 . 20 1 1 A 94 94 HIS H H 94 8.153 8.678 -0.525 1
1 1177 . 20 1 1 A 94 94 HIS HA H 94 4.141 5.177 -1.036 1
1 1180 . 20 1 1 A 94 94 HIS CA C 94 56.804 53.459 3.345 1
1 1181 . 20 1 1 A 94 94 HIS CB C 94 30.254 30.711 -0.457 1
1 1182 . 20 1 1 A 94 94 HIS N N 94 120.504 128.376 -7.872 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 90 1.110 1
2 1 1 1 "RMS(OBS, PRED)" CA 93 1.207 1
3 1 1 1 "RMS(OBS, PRED)" CB 89 1.549 1
4 1 1 1 "RMS(OBS, PRED)" H 86 0.425 1
5 1 1 1 "RMS(OBS, PRED)" HA 97 0.255 1
6 1 1 1 "RMS(OBS, PRED)" N 86 2.857 1
7 1 2 1 "RMS(OBS, PRED)" C 90 1.138 1
8 1 2 1 "RMS(OBS, PRED)" CA 93 1.270 1
9 1 2 1 "RMS(OBS, PRED)" CB 89 1.574 1
10 1 2 1 "RMS(OBS, PRED)" H 86 0.451 1
11 1 2 1 "RMS(OBS, PRED)" HA 97 0.265 1
12 1 2 1 "RMS(OBS, PRED)" N 86 2.952 1
13 1 3 1 "RMS(OBS, PRED)" C 90 1.071 1
14 1 3 1 "RMS(OBS, PRED)" CA 93 1.157 1
15 1 3 1 "RMS(OBS, PRED)" CB 89 1.519 1
16 1 3 1 "RMS(OBS, PRED)" H 86 0.482 1
17 1 3 1 "RMS(OBS, PRED)" HA 97 0.244 1
18 1 3 1 "RMS(OBS, PRED)" N 86 2.993 1
19 1 4 1 "RMS(OBS, PRED)" C 90 1.095 1
20 1 4 1 "RMS(OBS, PRED)" CA 93 1.198 1
21 1 4 1 "RMS(OBS, PRED)" CB 89 1.345 1
22 1 4 1 "RMS(OBS, PRED)" H 86 0.442 1
23 1 4 1 "RMS(OBS, PRED)" HA 97 0.260 1
24 1 4 1 "RMS(OBS, PRED)" N 86 2.837 1
25 1 5 1 "RMS(OBS, PRED)" C 90 1.118 1
26 1 5 1 "RMS(OBS, PRED)" CA 93 1.266 1
27 1 5 1 "RMS(OBS, PRED)" CB 89 1.502 1
28 1 5 1 "RMS(OBS, PRED)" H 86 0.456 1
29 1 5 1 "RMS(OBS, PRED)" HA 97 0.267 1
30 1 5 1 "RMS(OBS, PRED)" N 86 3.033 1
31 1 6 1 "RMS(OBS, PRED)" C 90 1.078 1
32 1 6 1 "RMS(OBS, PRED)" CA 93 1.264 1
33 1 6 1 "RMS(OBS, PRED)" CB 89 1.801 1
34 1 6 1 "RMS(OBS, PRED)" H 86 0.445 1
35 1 6 1 "RMS(OBS, PRED)" HA 97 0.244 1
36 1 6 1 "RMS(OBS, PRED)" N 86 2.972 1
37 1 7 1 "RMS(OBS, PRED)" C 90 1.069 1
38 1 7 1 "RMS(OBS, PRED)" CA 93 1.193 1
39 1 7 1 "RMS(OBS, PRED)" CB 89 1.970 1
40 1 7 1 "RMS(OBS, PRED)" H 86 0.413 1
41 1 7 1 "RMS(OBS, PRED)" HA 97 0.243 1
42 1 7 1 "RMS(OBS, PRED)" N 86 2.989 1
43 1 8 1 "RMS(OBS, PRED)" C 90 1.022 1
44 1 8 1 "RMS(OBS, PRED)" CA 93 1.233 1
45 1 8 1 "RMS(OBS, PRED)" CB 89 1.796 1
46 1 8 1 "RMS(OBS, PRED)" H 86 0.463 1
47 1 8 1 "RMS(OBS, PRED)" HA 97 0.264 1
48 1 8 1 "RMS(OBS, PRED)" N 86 2.960 1
49 1 9 1 "RMS(OBS, PRED)" C 90 1.122 1
50 1 9 1 "RMS(OBS, PRED)" CA 93 1.306 1
51 1 9 1 "RMS(OBS, PRED)" CB 89 1.570 1
52 1 9 1 "RMS(OBS, PRED)" H 86 0.465 1
53 1 9 1 "RMS(OBS, PRED)" HA 97 0.251 1
54 1 9 1 "RMS(OBS, PRED)" N 86 2.773 1
55 1 10 1 "RMS(OBS, PRED)" C 90 1.140 1
56 1 10 1 "RMS(OBS, PRED)" CA 93 1.290 1
57 1 10 1 "RMS(OBS, PRED)" CB 89 1.644 1
58 1 10 1 "RMS(OBS, PRED)" H 86 0.427 1
59 1 10 1 "RMS(OBS, PRED)" HA 97 0.267 1
60 1 10 1 "RMS(OBS, PRED)" N 86 2.749 1
61 1 11 1 "RMS(OBS, PRED)" C 90 1.125 1
62 1 11 1 "RMS(OBS, PRED)" CA 93 1.257 1
63 1 11 1 "RMS(OBS, PRED)" CB 89 1.655 1
64 1 11 1 "RMS(OBS, PRED)" H 86 0.460 1
65 1 11 1 "RMS(OBS, PRED)" HA 97 0.312 1
66 1 11 1 "RMS(OBS, PRED)" N 86 3.254 1
67 1 12 1 "RMS(OBS, PRED)" C 90 1.096 1
68 1 12 1 "RMS(OBS, PRED)" CA 93 1.310 1
69 1 12 1 "RMS(OBS, PRED)" CB 89 1.577 1
70 1 12 1 "RMS(OBS, PRED)" H 86 0.454 1
71 1 12 1 "RMS(OBS, PRED)" HA 97 0.253 1
72 1 12 1 "RMS(OBS, PRED)" N 86 3.047 1
73 1 13 1 "RMS(OBS, PRED)" C 90 1.067 1
74 1 13 1 "RMS(OBS, PRED)" CA 93 1.187 1
75 1 13 1 "RMS(OBS, PRED)" CB 89 1.642 1
76 1 13 1 "RMS(OBS, PRED)" H 86 0.418 1
77 1 13 1 "RMS(OBS, PRED)" HA 97 0.252 1
78 1 13 1 "RMS(OBS, PRED)" N 86 3.134 1
79 1 14 1 "RMS(OBS, PRED)" C 90 1.061 1
80 1 14 1 "RMS(OBS, PRED)" CA 93 1.248 1
81 1 14 1 "RMS(OBS, PRED)" CB 89 1.674 1
82 1 14 1 "RMS(OBS, PRED)" H 86 0.434 1
83 1 14 1 "RMS(OBS, PRED)" HA 97 0.233 1
84 1 14 1 "RMS(OBS, PRED)" N 86 2.966 1
85 1 15 1 "RMS(OBS, PRED)" C 90 1.057 1
86 1 15 1 "RMS(OBS, PRED)" CA 93 1.204 1
87 1 15 1 "RMS(OBS, PRED)" CB 89 1.628 1
88 1 15 1 "RMS(OBS, PRED)" H 86 0.479 1
89 1 15 1 "RMS(OBS, PRED)" HA 97 0.283 1
90 1 15 1 "RMS(OBS, PRED)" N 86 2.832 1
91 1 16 1 "RMS(OBS, PRED)" C 90 1.065 1
92 1 16 1 "RMS(OBS, PRED)" CA 93 1.199 1
93 1 16 1 "RMS(OBS, PRED)" CB 89 1.587 1
94 1 16 1 "RMS(OBS, PRED)" H 86 0.460 1
95 1 16 1 "RMS(OBS, PRED)" HA 97 0.279 1
96 1 16 1 "RMS(OBS, PRED)" N 86 2.891 1
97 1 17 1 "RMS(OBS, PRED)" C 90 1.040 1
98 1 17 1 "RMS(OBS, PRED)" CA 93 1.162 1
99 1 17 1 "RMS(OBS, PRED)" CB 89 1.612 1
100 1 17 1 "RMS(OBS, PRED)" H 86 0.434 1
101 1 17 1 "RMS(OBS, PRED)" HA 97 0.252 1
102 1 17 1 "RMS(OBS, PRED)" N 86 2.967 1
103 1 18 1 "RMS(OBS, PRED)" C 90 1.127 1
104 1 18 1 "RMS(OBS, PRED)" CA 93 1.272 1
105 1 18 1 "RMS(OBS, PRED)" CB 89 1.565 1
106 1 18 1 "RMS(OBS, PRED)" H 86 0.441 1
107 1 18 1 "RMS(OBS, PRED)" HA 97 0.267 1
108 1 18 1 "RMS(OBS, PRED)" N 86 3.165 1
109 1 19 1 "RMS(OBS, PRED)" C 90 1.116 1
110 1 19 1 "RMS(OBS, PRED)" CA 93 1.290 1
111 1 19 1 "RMS(OBS, PRED)" CB 89 1.482 1
112 1 19 1 "RMS(OBS, PRED)" H 86 0.486 1
113 1 19 1 "RMS(OBS, PRED)" HA 97 0.312 1
114 1 19 1 "RMS(OBS, PRED)" N 86 2.881 1
115 1 20 1 "RMS(OBS, PRED)" C 90 1.152 1
116 1 20 1 "RMS(OBS, PRED)" CA 93 1.281 1
117 1 20 1 "RMS(OBS, PRED)" CB 89 1.668 1
118 1 20 1 "RMS(OBS, PRED)" H 86 0.449 1
119 1 20 1 "RMS(OBS, PRED)" HA 97 0.263 1
120 1 20 1 "RMS(OBS, PRED)" N 86 2.868 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 2 2 TYR HA H 2 4.593 4.677 -0.084 2
1 8 . 1 1 A 2 2 TYR C C 2 174.805 175.727 -0.922 2
1 9 . 1 1 A 2 2 TYR CA C 2 57.884 58.635 -0.750 2
1 10 . 1 1 A 2 2 TYR CB C 2 38.790 39.061 -0.271 2
1 15 . 1 1 A 3 3 LEU H H 3 8.189 8.383 -0.194 2
1 16 . 1 1 A 3 3 LEU HA H 3 4.268 4.263 0.005 2
1 25 . 1 1 A 3 3 LEU C C 3 176.110 176.696 -0.586 2
1 26 . 1 1 A 3 3 LEU CA C 3 54.574 56.079 -1.505 2
1 27 . 1 1 A 3 3 LEU CB C 3 42.796 41.831 0.965 2
1 30 . 1 1 A 3 3 LEU N N 3 126.201 123.405 2.796 2
1 31 . 1 1 A 4 4 LYS H H 4 8.132 8.225 -0.093 2
1 32 . 1 1 A 4 4 LYS HA H 4 4.336 4.372 -0.036 2
1 35 . 1 1 A 4 4 LYS C C 4 175.828 175.555 0.273 2
1 36 . 1 1 A 4 4 LYS CA C 4 56.186 56.714 -0.528 2
1 37 . 1 1 A 4 4 LYS CB C 4 33.084 32.999 0.085 2
1 38 . 1 1 A 4 4 LYS N N 4 123.332 119.595 3.737 2
1 39 . 1 1 A 5 5 ARG H H 5 8.537 8.033 0.504 2
1 40 . 1 1 A 5 5 ARG HA H 5 4.327 4.612 -0.285 2
1 47 . 1 1 A 5 5 ARG C C 5 176.158 174.724 1.434 2
1 48 . 1 1 A 5 5 ARG CA C 5 56.076 55.390 0.686 2
1 49 . 1 1 A 5 5 ARG CB C 5 31.028 32.367 -1.339 2
1 52 . 1 1 A 5 5 ARG N N 5 124.828 122.668 2.160 2
1 53 . 1 1 A 6 6 VAL H H 6 8.344 8.720 -0.376 2
1 54 . 1 1 A 6 6 VAL HA H 6 4.154 4.204 -0.050 2
1 62 . 1 1 A 6 6 VAL C C 6 175.662 175.327 0.335 2
1 63 . 1 1 A 6 6 VAL CA C 6 61.973 62.582 -0.609 2
1 64 . 1 1 A 6 6 VAL CB C 6 32.937 31.643 1.294 2
1 66 . 1 1 A 6 6 VAL N N 6 122.153 126.105 -3.952 2
1 67 . 1 1 A 7 7 ASP H H 7 8.469 8.721 -0.252 2
1 68 . 1 1 A 7 7 ASP HA H 7 4.681 4.761 -0.080 2
1 71 . 1 1 A 7 7 ASP C C 7 176.217 175.876 0.341 2
1 72 . 1 1 A 7 7 ASP CA C 7 54.202 53.913 0.289 2
1 73 . 1 1 A 7 7 ASP CB C 7 41.583 41.426 0.157 2
1 74 . 1 1 A 7 7 ASP N N 7 124.555 127.570 -3.015 2
1 75 . 1 1 A 8 8 GLY H H 8 8.185 8.187 -0.002 2
1 76 . 1 1 A 8 8 GLY HA2 H 8 4.184 4.110 0.074 2
1 77 . 1 1 A 8 8 GLY HA3 H 8 4.070 4.116 -0.046 2
1 78 . 1 1 A 8 8 GLY C C 8 171.436 172.744 -1.308 2
1 79 . 1 1 A 8 8 GLY CA C 8 44.634 44.809 -0.175 2
1 80 . 1 1 A 8 8 GLY N N 8 109.085 110.465 -1.380 2
1 81 . 1 1 A 9 9 PRO HA H 9 4.510 4.630 -0.120 2
1 88 . 1 1 A 9 9 PRO C C 9 176.784 176.872 -0.088 2
1 89 . 1 1 A 9 9 PRO CA C 9 62.869 62.824 0.045 2
1 90 . 1 1 A 9 9 PRO CB C 9 32.364 32.306 0.058 2
1 93 . 1 1 A 10 10 ARG H H 10 8.761 8.891 -0.130 2
1 94 . 1 1 A 10 10 ARG HA H 10 4.165 4.245 -0.080 2
1 99 . 1 1 A 10 10 ARG C C 10 175.911 176.050 -0.139 2
1 100 . 1 1 A 10 10 ARG CA C 10 57.463 57.482 -0.019 2
1 101 . 1 1 A 10 10 ARG CB C 10 31.030 30.992 0.038 2
1 103 . 1 1 A 10 10 ARG N N 10 120.390 119.780 0.610 2
1 104 . 1 1 A 11 11 GLN H H 11 7.790 7.778 0.012 2
1 105 . 1 1 A 11 11 GLN HA H 11 5.173 4.990 0.183 2
1 112 . 1 1 A 11 11 GLN C C 11 173.893 173.721 0.172 2
1 113 . 1 1 A 11 11 GLN CA C 11 54.402 54.693 -0.291 2
1 114 . 1 1 A 11 11 GLN CB C 11 31.366 31.934 -0.568 2
1 116 . 1 1 A 11 11 GLN N N 11 114.694 115.430 -0.736 2
1 118 . 1 1 A 12 12 VAL H H 12 8.803 9.182 -0.379 2
1 119 . 1 1 A 12 12 VAL HA H 12 4.625 4.947 -0.322 2
1 127 . 1 1 A 12 12 VAL C C 12 173.796 174.366 -0.570 2
1 128 . 1 1 A 12 12 VAL CA C 12 60.127 59.497 0.630 2
1 129 . 1 1 A 12 12 VAL CB C 12 35.590 35.471 0.119 2
1 132 . 1 1 A 12 12 VAL N N 12 115.575 117.673 -2.098 2
1 133 . 1 1 A 13 13 THR H H 13 8.553 8.519 0.034 2
1 134 . 1 1 A 13 13 THR HA H 13 4.772 4.793 -0.021 2
1 139 . 1 1 A 13 13 THR C C 13 174.526 174.084 0.442 2
1 140 . 1 1 A 13 13 THR CA C 13 61.880 61.782 0.098 2
1 141 . 1 1 A 13 13 THR CB C 13 69.319 70.063 -0.744 2
1 143 . 1 1 A 13 13 THR N N 13 119.282 117.808 1.474 2
1 144 . 1 1 A 14 14 LEU H H 14 9.254 8.968 0.286 2
1 145 . 1 1 A 14 14 LEU HA H 14 4.210 4.454 -0.244 2
1 155 . 1 1 A 14 14 LEU C C 14 177.361 176.726 0.635 2
1 156 . 1 1 A 14 14 LEU CA C 14 54.116 52.774 1.342 2
1 157 . 1 1 A 14 14 LEU CB C 14 39.546 41.639 -2.093 2
1 161 . 1 1 A 14 14 LEU N N 14 129.147 127.260 1.887 2
1 162 . 1 1 A 15 15 PRO HA H 15 4.294 4.471 -0.177 2
1 169 . 1 1 A 15 15 PRO C C 15 176.570 177.447 -0.877 2
1 170 . 1 1 A 15 15 PRO CA C 15 65.392 64.501 0.891 2
1 171 . 1 1 A 15 15 PRO CB C 15 31.808 31.780 0.028 2
1 174 . 1 1 A 16 16 ASP H H 16 7.397 8.011 -0.614 2
1 175 . 1 1 A 16 16 ASP HA H 16 4.486 4.712 -0.226 2
1 178 . 1 1 A 16 16 ASP C C 16 177.056 176.511 0.545 2
1 179 . 1 1 A 16 16 ASP CA C 16 53.157 53.898 -0.741 2
1 180 . 1 1 A 16 16 ASP CB C 16 39.987 40.870 -0.883 2
1 181 . 1 1 A 16 16 ASP N N 16 113.036 115.396 -2.360 2
1 182 . 1 1 A 17 17 GLY H H 17 8.399 8.160 0.239 2
1 183 . 1 1 A 17 17 GLY HA2 H 17 4.293 3.942 0.351 2
1 184 . 1 1 A 17 17 GLY HA3 H 17 3.481 3.951 -0.470 2
1 185 . 1 1 A 17 17 GLY C C 17 174.700 174.345 0.355 2
1 186 . 1 1 A 17 17 GLY CA C 17 44.998 45.316 -0.318 2
1 187 . 1 1 A 17 17 GLY N N 17 108.859 107.793 1.066 2
1 188 . 1 1 A 18 18 THR H H 18 8.003 7.746 0.257 2
1 189 . 1 1 A 18 18 THR HA H 18 4.151 4.538 -0.387 2
1 194 . 1 1 A 18 18 THR C C 18 172.576 173.590 -1.014 2
1 195 . 1 1 A 18 18 THR CA C 18 63.144 61.836 1.308 2
1 196 . 1 1 A 18 18 THR CB C 18 69.888 70.447 -0.559 2
1 198 . 1 1 A 18 18 THR N N 18 116.015 116.011 0.004 2
1 199 . 1 1 A 19 19 VAL H H 19 8.384 8.486 -0.102 2
1 200 . 1 1 A 19 19 VAL HA H 19 4.726 4.734 -0.008 2
1 208 . 1 1 A 19 19 VAL C C 19 175.823 174.065 1.758 2
1 209 . 1 1 A 19 19 VAL CA C 19 61.491 60.984 0.507 2
1 210 . 1 1 A 19 19 VAL CB C 19 33.757 33.790 -0.033 2
1 213 . 1 1 A 19 19 VAL N N 19 121.723 122.378 -0.655 2
1 214 . 1 1 A 20 20 LEU H H 20 8.948 9.256 -0.308 2
1 215 . 1 1 A 20 20 LEU HA H 20 4.784 5.114 -0.330 2
1 225 . 1 1 A 20 20 LEU C C 20 174.749 176.017 -1.268 2
1 226 . 1 1 A 20 20 LEU CA C 20 53.616 53.508 0.108 2
1 227 . 1 1 A 20 20 LEU CB C 20 45.062 44.420 0.642 2
1 231 . 1 1 A 20 20 LEU N N 20 129.673 130.555 -0.882 2
1 232 . 1 1 A 21 21 SER H H 21 9.246 9.026 0.220 2
1 233 . 1 1 A 21 21 SER HA H 21 5.207 5.057 0.150 2
1 236 . 1 1 A 21 21 SER C C 21 176.047 175.879 0.168 2
1 237 . 1 1 A 21 21 SER CA C 21 56.523 56.691 -0.168 2
1 238 . 1 1 A 21 21 SER CB C 21 66.369 66.077 0.292 2
1 239 . 1 1 A 21 21 SER N N 21 120.387 119.923 0.464 2
1 240 . 1 1 A 22 22 ARG H H 22 8.847 9.001 -0.154 2
1 241 . 1 1 A 22 22 ARG HA H 22 3.868 4.236 -0.368 2
1 248 . 1 1 A 22 22 ARG C C 22 178.388 176.973 1.415 2
1 249 . 1 1 A 22 22 ARG CA C 22 60.207 58.796 1.411 2
1 250 . 1 1 A 22 22 ARG CB C 22 29.118 29.916 -0.798 2
1 253 . 1 1 A 22 22 ARG N N 22 122.878 121.590 1.288 2
1 254 . 1 1 A 23 23 ALA H H 23 8.243 7.785 0.458 2
1 255 . 1 1 A 23 23 ALA HA H 23 4.175 4.283 -0.108 2
1 259 . 1 1 A 23 23 ALA C C 23 177.763 177.987 -0.224 2
1 260 . 1 1 A 23 23 ALA CA C 23 54.000 52.657 1.343 2
1 261 . 1 1 A 23 23 ALA CB C 23 18.461 19.485 -1.024 2
1 262 . 1 1 A 23 23 ALA N N 23 121.050 121.517 -0.467 2
1 263 . 1 1 A 24 24 ASP H H 24 7.597 7.908 -0.311 2
1 264 . 1 1 A 24 24 ASP HA H 24 4.632 4.705 -0.073 2
1 267 . 1 1 A 24 24 ASP C C 24 176.608 176.708 -0.100 2
1 268 . 1 1 A 24 24 ASP CA C 24 54.726 54.976 -0.250 2
1 269 . 1 1 A 24 24 ASP CB C 24 42.026 41.559 0.467 2
1 270 . 1 1 A 24 24 ASP N N 24 115.095 117.209 -2.114 2
1 271 . 1 1 A 25 25 LEU H H 25 7.311 7.335 -0.024 2
1 272 . 1 1 A 25 25 LEU HA H 25 4.402 4.487 -0.085 2
1 282 . 1 1 A 25 25 LEU C C 25 174.724 174.885 -0.161 2
1 283 . 1 1 A 25 25 LEU CA C 25 53.307 53.868 -0.561 2
1 284 . 1 1 A 25 25 LEU CB C 25 40.047 41.760 -1.713 2
1 288 . 1 1 A 25 25 LEU N N 25 119.781 122.744 -2.963 2
1 289 . 1 1 A 26 26 PRO HA H 26 4.745 4.671 0.074 2
1 296 . 1 1 A 26 26 PRO CA C 26 61.496 61.848 -0.352 2
1 297 . 1 1 A 26 26 PRO CB C 26 30.700 31.708 -1.008 2
1 300 . 1 1 A 27 27 PRO HA H 27 4.598 4.627 -0.029 2
1 307 . 1 1 A 27 27 PRO C C 27 178.036 177.242 0.794 2
1 308 . 1 1 A 27 27 PRO CA C 27 62.923 62.690 0.233 2
1 309 . 1 1 A 27 27 PRO CB C 27 32.758 32.573 0.185 2
1 312 . 1 1 A 28 28 LEU H H 28 8.880 8.496 0.384 2
1 313 . 1 1 A 28 28 LEU HA H 28 4.177 4.336 -0.159 2
1 323 . 1 1 A 28 28 LEU C C 28 176.873 178.074 -1.201 2
1 324 . 1 1 A 28 28 LEU CA C 28 57.833 57.093 0.740 2
1 325 . 1 1 A 28 28 LEU CB C 28 41.291 41.543 -0.252 2
1 329 . 1 1 A 28 28 LEU N N 28 122.643 122.485 0.158 2
1 330 . 1 1 A 29 29 ASP H H 29 8.203 8.016 0.187 2
1 331 . 1 1 A 29 29 ASP HA H 29 4.615 4.607 0.008 2
1 334 . 1 1 A 29 29 ASP C C 29 176.158 176.425 -0.267 2
1 335 . 1 1 A 29 29 ASP CA C 29 53.098 55.040 -1.942 2
1 336 . 1 1 A 29 29 ASP CB C 29 39.311 40.882 -1.571 2
1 337 . 1 1 A 29 29 ASP N N 29 115.741 117.259 -1.518 2
1 338 . 1 1 A 30 30 THR H H 30 7.516 7.325 0.191 2
1 339 . 1 1 A 30 30 THR HA H 30 3.599 4.060 -0.461 2
1 344 . 1 1 A 30 30 THR C C 30 174.366 173.783 0.583 2
1 345 . 1 1 A 30 30 THR CA C 30 65.815 63.152 2.663 2
1 346 . 1 1 A 30 30 THR CB C 30 69.989 68.072 1.917 2
1 348 . 1 1 A 30 30 THR N N 30 116.808 114.673 2.135 2
1 349 . 1 1 A 31 31 ARG H H 31 8.482 8.598 -0.116 2
1 350 . 1 1 A 31 31 ARG HA H 31 4.583 4.461 0.122 2
1 358 . 1 1 A 31 31 ARG CA C 31 55.399 56.702 -1.303 2
1 359 . 1 1 A 31 31 ARG CB C 31 32.296 31.963 0.333 2
1 362 . 1 1 A 31 31 ARG N N 31 124.991 126.915 -1.924 2
1 364 . 1 1 A 32 32 ARG HA H 32 4.523 4.370 0.153 2
1 372 . 1 1 A 32 32 ARG C C 32 175.341 175.007 0.334 2
1 373 . 1 1 A 32 32 ARG CA C 32 54.759 55.633 -0.874 2
1 374 . 1 1 A 32 32 ARG CB C 32 30.348 29.230 1.118 2
1 378 . 1 1 A 33 33 TRP H H 33 8.923 8.622 0.301 2
1 379 . 1 1 A 33 33 TRP HA H 33 4.292 4.758 -0.466 2
1 388 . 1 1 A 33 33 TRP C C 33 176.208 176.264 -0.056 2
1 389 . 1 1 A 33 33 TRP CA C 33 56.923 57.738 -0.815 2
1 390 . 1 1 A 33 33 TRP CB C 33 28.492 29.242 -0.750 2
1 396 . 1 1 A 33 33 TRP N N 33 128.804 125.582 3.222 2
1 398 . 1 1 A 34 34 VAL H H 34 6.953 8.477 -1.524 2
1 399 . 1 1 A 34 34 VAL HA H 34 4.451 4.592 -0.141 2
1 407 . 1 1 A 34 34 VAL C C 34 177.217 176.732 0.485 2
1 408 . 1 1 A 34 34 VAL CA C 34 60.180 59.952 0.228 2
1 409 . 1 1 A 34 34 VAL CB C 34 32.686 34.596 -1.910 2
1 412 . 1 1 A 34 34 VAL N N 34 114.683 121.175 -6.492 2
1 413 . 1 1 A 35 35 ALA HA H 35 3.745 3.875 -0.130 2
1 417 . 1 1 A 35 35 ALA C C 35 180.114 179.746 0.368 2
1 418 . 1 1 A 35 35 ALA CA C 35 56.618 55.544 1.074 2
1 419 . 1 1 A 35 35 ALA CB C 35 18.334 18.073 0.261 2
1 420 . 1 1 A 36 36 SER H H 36 8.841 8.053 0.788 2
1 421 . 1 1 A 36 36 SER HA H 36 4.140 4.123 0.017 2
1 424 . 1 1 A 36 36 SER C C 36 177.291 176.656 0.635 2
1 425 . 1 1 A 36 36 SER CA C 36 61.250 61.234 0.016 2
1 426 . 1 1 A 36 36 SER CB C 36 61.673 62.874 -1.201 2
1 427 . 1 1 A 36 36 SER N N 36 111.913 113.180 -1.267 2
1 428 . 1 1 A 37 37 ARG H H 37 7.183 7.649 -0.466 2
1 429 . 1 1 A 37 37 ARG HA H 37 4.349 4.209 0.140 2
1 436 . 1 1 A 37 37 ARG C C 37 177.816 178.719 -0.903 2
1 437 . 1 1 A 37 37 ARG CA C 37 58.944 58.865 0.079 2
1 438 . 1 1 A 37 37 ARG CB C 37 31.009 29.915 1.094 2
1 441 . 1 1 A 37 37 ARG N N 37 123.504 121.667 1.837 2
1 442 . 1 1 A 38 38 LYS H H 38 7.514 8.009 -0.495 2
1 443 . 1 1 A 38 38 LYS HA H 38 3.592 3.360 0.232 2
1 452 . 1 1 A 38 38 LYS C C 38 178.935 178.998 -0.062 2
1 453 . 1 1 A 38 38 LYS CA C 38 59.846 59.011 0.835 2
1 454 . 1 1 A 38 38 LYS CB C 38 33.310 31.552 1.758 2
1 458 . 1 1 A 38 38 LYS N N 38 118.200 119.350 -1.150 2
1 459 . 1 1 A 39 39 ALA H H 39 8.131 8.162 -0.031 2
1 460 . 1 1 A 39 39 ALA HA H 39 3.865 4.048 -0.183 2
1 464 . 1 1 A 39 39 ALA C C 39 178.995 179.840 -0.845 2
1 465 . 1 1 A 39 39 ALA CA C 39 55.093 54.961 0.132 2
1 466 . 1 1 A 39 39 ALA CB C 39 18.124 17.904 0.220 2
1 467 . 1 1 A 39 39 ALA N N 39 117.547 122.203 -4.656 2
1 468 . 1 1 A 40 40 ALA H H 40 7.375 7.859 -0.484 2
1 469 . 1 1 A 40 40 ALA HA H 40 4.134 4.139 -0.005 2
1 473 . 1 1 A 40 40 ALA C C 40 179.512 180.117 -0.605 2
1 474 . 1 1 A 40 40 ALA CA C 40 55.506 55.322 0.184 2
1 475 . 1 1 A 40 40 ALA CB C 40 18.473 18.196 0.277 2
1 476 . 1 1 A 40 40 ALA N N 40 119.346 120.341 -0.995 2
1 477 . 1 1 A 41 41 VAL H H 41 7.382 7.854 -0.472 2
1 478 . 1 1 A 41 41 VAL HA H 41 3.642 3.757 -0.115 2
1 486 . 1 1 A 41 41 VAL C C 41 177.423 178.272 -0.849 2
1 487 . 1 1 A 41 41 VAL CA C 41 67.279 67.084 0.195 2
1 488 . 1 1 A 41 41 VAL CB C 41 32.149 31.809 0.340 2
1 491 . 1 1 A 41 41 VAL N N 41 116.434 118.676 -2.242 2
1 492 . 1 1 A 42 42 VAL H H 42 8.332 8.273 0.059 2
1 493 . 1 1 A 42 42 VAL HA H 42 3.723 3.989 -0.266 2
1 501 . 1 1 A 42 42 VAL C C 42 178.381 177.964 0.417 2
1 502 . 1 1 A 42 42 VAL CA C 42 67.698 65.368 2.330 2
1 503 . 1 1 A 42 42 VAL CB C 42 32.170 31.192 0.978 2
1 506 . 1 1 A 42 42 VAL N N 42 118.061 120.440 -2.379 2
1 507 . 1 1 A 43 43 LYS H H 43 8.973 8.242 0.731 2
1 508 . 1 1 A 43 43 LYS HA H 43 3.977 4.064 -0.086 2
1 517 . 1 1 A 43 43 LYS C C 43 177.830 179.291 -1.461 2
1 518 . 1 1 A 43 43 LYS CA C 43 60.343 59.422 0.921 2
1 519 . 1 1 A 43 43 LYS CB C 43 32.863 32.203 0.660 2
1 523 . 1 1 A 43 43 LYS N N 43 118.026 122.551 -4.525 2
1 524 . 1 1 A 44 44 ALA H H 44 7.959 7.939 0.020 2
1 525 . 1 1 A 44 44 ALA HA H 44 3.968 4.107 -0.139 2
1 529 . 1 1 A 44 44 ALA C C 44 178.921 179.901 -0.980 2
1 530 . 1 1 A 44 44 ALA CA C 44 55.324 55.281 0.043 2
1 531 . 1 1 A 44 44 ALA CB C 44 19.816 18.432 1.384 2
1 532 . 1 1 A 44 44 ALA N N 44 119.893 122.569 -2.676 2
1 533 . 1 1 A 45 45 VAL H H 45 7.789 7.775 0.014 2
1 534 . 1 1 A 45 45 VAL HA H 45 4.494 3.963 0.531 2
1 542 . 1 1 A 45 45 VAL C C 45 180.590 178.409 2.181 2
1 543 . 1 1 A 45 45 VAL CA C 45 64.383 66.863 -2.480 2
1 544 . 1 1 A 45 45 VAL CB C 45 32.456 31.461 0.995 2
1 547 . 1 1 A 45 45 VAL N N 45 118.569 117.868 0.701 2
1 548 . 1 1 A 46 46 ILE H H 46 8.945 8.232 0.713 2
1 549 . 1 1 A 46 46 ILE HA H 46 3.689 3.769 -0.080 2
1 559 . 1 1 A 46 46 ILE C C 46 178.437 177.644 0.793 2
1 560 . 1 1 A 46 46 ILE CA C 46 65.391 64.576 0.815 2
1 561 . 1 1 A 46 46 ILE CB C 46 38.182 37.478 0.704 2
1 565 . 1 1 A 46 46 ILE N N 46 121.331 119.577 1.754 2
1 566 . 1 1 A 47 47 HIS H H 47 8.030 7.618 0.412 2
1 567 . 1 1 A 47 47 HIS HA H 47 4.663 4.604 0.059 2
1 572 . 1 1 A 47 47 HIS C C 47 175.308 175.360 -0.052 2
1 573 . 1 1 A 47 47 HIS CA C 47 56.736 55.992 0.744 2
1 574 . 1 1 A 47 47 HIS CB C 47 29.482 30.076 -0.594 2
1 577 . 1 1 A 47 47 HIS N N 47 113.700 117.319 -3.619 2
1 578 . 1 1 A 48 48 GLY H H 48 7.543 7.708 -0.165 2
1 579 . 1 1 A 48 48 GLY HA2 H 48 4.026 3.909 0.117 2
1 580 . 1 1 A 48 48 GLY HA3 H 48 3.904 3.921 -0.017 2
1 581 . 1 1 A 48 48 GLY C C 48 175.172 175.139 0.033 2
1 582 . 1 1 A 48 48 GLY CA C 48 46.740 46.054 0.686 2
1 583 . 1 1 A 48 48 GLY N N 48 106.113 107.638 -1.525 2
1 584 . 1 1 A 49 49 LEU H H 49 8.803 7.980 0.823 2
1 585 . 1 1 A 49 49 LEU HA H 49 4.090 4.099 -0.009 2
1 595 . 1 1 A 49 49 LEU C C 49 176.111 176.358 -0.247 2
1 596 . 1 1 A 49 49 LEU CA C 49 57.575 57.560 0.015 2
1 597 . 1 1 A 49 49 LEU CB C 49 42.969 42.741 0.228 2
1 601 . 1 1 A 49 49 LEU N N 49 122.636 121.969 0.667 2
1 602 . 1 1 A 50 50 ILE H H 50 7.257 7.338 -0.081 2
1 603 . 1 1 A 50 50 ILE HA H 50 4.689 4.825 -0.136 2
1 613 . 1 1 A 50 50 ILE C C 50 174.994 174.465 0.529 2
1 614 . 1 1 A 50 50 ILE CA C 50 58.262 58.831 -0.568 2
1 615 . 1 1 A 50 50 ILE CB C 50 41.641 41.424 0.217 2
1 619 . 1 1 A 50 50 ILE N N 50 107.650 114.410 -6.760 2
1 620 . 1 1 A 51 51 THR H H 51 8.677 8.330 0.347 2
1 621 . 1 1 A 51 51 THR HA H 51 4.466 4.702 -0.236 2
1 627 . 1 1 A 51 51 THR C C 51 175.227 175.032 0.195 2
1 628 . 1 1 A 51 51 THR CA C 51 60.728 60.196 0.532 2
1 629 . 1 1 A 51 51 THR CB C 51 71.216 70.503 0.713 2
1 631 . 1 1 A 51 51 THR N N 51 111.798 116.672 -4.874 2
1 632 . 1 1 A 52 52 GLU H H 52 9.034 9.027 0.007 2
1 633 . 1 1 A 52 52 GLU HA H 52 3.507 3.536 -0.029 2
1 638 . 1 1 A 52 52 GLU C C 52 177.287 177.901 -0.614 2
1 639 . 1 1 A 52 52 GLU CA C 52 60.515 59.643 0.872 2
1 640 . 1 1 A 52 52 GLU CB C 52 29.418 29.077 0.341 2
1 642 . 1 1 A 52 52 GLU N N 52 122.067 126.208 -4.141 2
1 643 . 1 1 A 53 53 ARG H H 53 8.213 7.616 0.597 2
1 644 . 1 1 A 53 53 ARG HA H 53 3.740 3.985 -0.245 2
1 652 . 1 1 A 53 53 ARG C C 53 177.698 178.605 -0.907 2
1 653 . 1 1 A 53 53 ARG CA C 53 58.635 58.987 -0.352 2
1 654 . 1 1 A 53 53 ARG CB C 53 30.257 29.838 0.419 2
1 658 . 1 1 A 53 53 ARG N N 53 116.853 119.423 -2.570 2
1 660 . 1 1 A 54 54 GLU H H 54 7.747 7.990 -0.243 2
1 661 . 1 1 A 54 54 GLU HA H 54 3.978 4.030 -0.053 2
1 666 . 1 1 A 54 54 GLU C C 54 178.915 178.320 0.595 2
1 667 . 1 1 A 54 54 GLU CA C 54 59.312 59.363 -0.051 2
1 668 . 1 1 A 54 54 GLU CB C 54 29.678 29.239 0.439 2
1 670 . 1 1 A 54 54 GLU N N 54 118.040 119.197 -1.157 2
1 671 . 1 1 A 55 55 ALA H H 55 7.932 7.785 0.147 2
1 672 . 1 1 A 55 55 ALA HA H 55 3.694 4.156 -0.462 2
1 676 . 1 1 A 55 55 ALA C C 55 178.383 180.190 -1.807 2
1 677 . 1 1 A 55 55 ALA CA C 55 55.871 55.195 0.676 2
1 678 . 1 1 A 55 55 ALA CB C 55 17.664 18.231 -0.567 2
1 679 . 1 1 A 55 55 ALA N N 55 122.121 122.224 -0.103 2
1 680 . 1 1 A 56 56 LEU H H 56 8.110 8.024 0.086 2
1 681 . 1 1 A 56 56 LEU HA H 56 3.605 3.837 -0.232 2
1 691 . 1 1 A 56 56 LEU C C 56 180.273 179.093 1.180 2
1 692 . 1 1 A 56 56 LEU CA C 56 58.167 57.838 0.329 2
1 693 . 1 1 A 56 56 LEU CB C 56 39.563 41.163 -1.600 2
1 697 . 1 1 A 56 56 LEU N N 56 114.908 118.585 -3.677 2
1 698 . 1 1 A 57 57 ASP H H 57 8.080 8.154 -0.074 2
1 699 . 1 1 A 57 57 ASP HA H 57 4.353 4.308 0.045 2
1 702 . 1 1 A 57 57 ASP C C 57 179.121 178.437 0.684 2
1 703 . 1 1 A 57 57 ASP CA C 57 56.644 57.226 -0.582 2
1 704 . 1 1 A 57 57 ASP CB C 57 40.909 41.002 -0.093 2
1 705 . 1 1 A 57 57 ASP N N 57 117.019 119.508 -2.489 2
1 706 . 1 1 A 58 58 ARG H H 58 8.584 8.470 0.114 2
1 707 . 1 1 A 58 58 ARG HA H 58 3.728 4.009 -0.281 2
1 715 . 1 1 A 58 58 ARG C C 58 177.362 176.691 0.671 2
1 716 . 1 1 A 58 58 ARG CA C 58 59.141 58.462 0.679 2
1 717 . 1 1 A 58 58 ARG CB C 58 30.462 29.730 0.732 2
1 720 . 1 1 A 58 58 ARG N N 58 119.926 117.950 1.976 2
1 722 . 1 1 A 59 59 TYR H H 59 7.133 7.481 -0.348 2
1 723 . 1 1 A 59 59 TYR HA H 59 5.018 4.768 0.250 2
1 730 . 1 1 A 59 59 TYR C C 59 173.865 174.992 -1.127 2
1 731 . 1 1 A 59 59 TYR CA C 59 57.348 57.796 -0.448 2
1 732 . 1 1 A 59 59 TYR CB C 59 38.052 39.184 -1.132 2
1 737 . 1 1 A 59 59 TYR N N 59 111.796 118.356 -6.560 2
1 738 . 1 1 A 60 60 SER H H 60 7.542 7.964 -0.422 2
1 739 . 1 1 A 60 60 SER HA H 60 4.082 4.162 -0.080 2
1 742 . 1 1 A 60 60 SER C C 60 176.402 173.295 3.107 2
1 743 . 1 1 A 60 60 SER CA C 60 58.482 59.181 -0.699 2
1 744 . 1 1 A 60 60 SER CB C 60 61.229 61.391 -0.162 2
1 745 . 1 1 A 60 60 SER N N 60 114.624 113.444 1.180 2
1 746 . 1 1 A 61 61 LEU H H 61 8.228 8.013 0.215 2
1 747 . 1 1 A 61 61 LEU HA H 61 4.583 4.662 -0.079 2
1 757 . 1 1 A 61 61 LEU C C 61 176.463 176.184 0.279 2
1 758 . 1 1 A 61 61 LEU CA C 61 52.478 53.657 -1.179 2
1 759 . 1 1 A 61 61 LEU CB C 61 45.873 43.785 2.088 2
1 763 . 1 1 A 61 61 LEU N N 61 119.424 121.446 -2.022 2
1 764 . 1 1 A 62 62 SER H H 62 8.376 8.808 -0.432 2
1 765 . 1 1 A 62 62 SER HA H 62 4.555 4.664 -0.109 2
1 768 . 1 1 A 62 62 SER C C 62 175.088 175.334 -0.246 2
1 769 . 1 1 A 62 62 SER CA C 62 56.123 57.257 -1.134 2
1 770 . 1 1 A 62 62 SER CB C 62 65.560 65.452 0.108 2
1 771 . 1 1 A 62 62 SER N N 62 115.890 117.653 -1.763 2
1 772 . 1 1 A 63 63 GLU H H 63 9.204 9.060 0.144 2
1 773 . 1 1 A 63 63 GLU HA H 63 3.806 3.930 -0.124 2
1 778 . 1 1 A 63 63 GLU C C 63 179.412 178.223 1.189 2
1 779 . 1 1 A 63 63 GLU CA C 63 60.338 59.648 0.690 2
1 780 . 1 1 A 63 63 GLU CB C 63 29.354 29.322 0.032 2
1 782 . 1 1 A 63 63 GLU N N 63 122.263 124.125 -1.862 2
1 783 . 1 1 A 64 64 GLU H H 64 8.859 8.450 0.409 2
1 784 . 1 1 A 64 64 GLU HA H 64 3.969 4.045 -0.076 2
1 789 . 1 1 A 64 64 GLU C C 64 178.700 178.810 -0.110 2
1 790 . 1 1 A 64 64 GLU CA C 64 59.822 59.242 0.580 2
1 791 . 1 1 A 64 64 GLU CB C 64 29.210 28.965 0.244 2
1 793 . 1 1 A 64 64 GLU N N 64 119.056 117.713 1.343 2
1 794 . 1 1 A 65 65 GLU H H 65 7.864 7.911 -0.047 2
1 795 . 1 1 A 65 65 GLU HA H 65 3.960 4.009 -0.049 2
1 800 . 1 1 A 65 65 GLU C C 65 177.783 178.576 -0.793 2
1 801 . 1 1 A 65 65 GLU CA C 65 58.817 59.291 -0.474 2
1 802 . 1 1 A 65 65 GLU CB C 65 29.452 29.345 0.107 2
1 804 . 1 1 A 65 65 GLU N N 65 121.783 120.269 1.514 2
1 805 . 1 1 A 66 66 PHE H H 66 7.918 7.826 0.092 2
1 806 . 1 1 A 66 66 PHE HA H 66 3.294 3.531 -0.237 2
1 814 . 1 1 A 66 66 PHE C C 66 177.021 177.753 -0.732 2
1 815 . 1 1 A 66 66 PHE CA C 66 61.197 61.234 -0.037 2
1 816 . 1 1 A 66 66 PHE CB C 66 39.279 38.969 0.310 2
1 820 . 1 1 A 66 66 PHE N N 66 117.902 120.182 -2.280 2
1 821 . 1 1 A 67 67 ALA H H 67 8.011 8.361 -0.350 2
1 822 . 1 1 A 67 67 ALA HA H 67 3.839 4.021 -0.182 2
1 826 . 1 1 A 67 67 ALA C C 67 181.069 179.963 1.106 2
1 827 . 1 1 A 67 67 ALA CA C 67 55.296 55.210 0.086 2
1 828 . 1 1 A 67 67 ALA CB C 67 17.648 18.059 -0.411 2
1 829 . 1 1 A 67 67 ALA N N 67 119.951 121.216 -1.265 2
1 830 . 1 1 A 68 68 LEU H H 68 7.431 7.963 -0.532 2
1 831 . 1 1 A 68 68 LEU HA H 68 4.162 4.018 0.144 2
1 841 . 1 1 A 68 68 LEU C C 68 180.631 179.416 1.215 2
1 842 . 1 1 A 68 68 LEU CA C 68 57.621 57.879 -0.258 2
1 843 . 1 1 A 68 68 LEU CB C 68 41.083 42.233 -1.150 2
1 847 . 1 1 A 68 68 LEU N N 68 119.888 118.784 1.104 2
1 848 . 1 1 A 69 69 TRP H H 69 8.288 8.198 0.090 2
1 849 . 1 1 A 69 69 TRP HA H 69 4.341 4.227 0.114 2
1 858 . 1 1 A 69 69 TRP C C 69 179.178 179.291 -0.113 2
1 859 . 1 1 A 69 69 TRP CA C 69 59.228 60.208 -0.980 2
1 860 . 1 1 A 69 69 TRP CB C 69 28.387 28.781 -0.394 2
1 866 . 1 1 A 69 69 TRP N N 69 122.616 118.858 3.759 2
1 868 . 1 1 A 70 70 ARG H H 70 8.291 8.073 0.218 2
1 869 . 1 1 A 70 70 ARG HA H 70 3.743 4.011 -0.268 2
1 877 . 1 1 A 70 70 ARG C C 70 178.811 178.153 0.658 2
1 878 . 1 1 A 70 70 ARG CA C 70 59.614 58.526 1.088 2
1 879 . 1 1 A 70 70 ARG CB C 70 30.171 29.643 0.528 2
1 882 . 1 1 A 70 70 ARG N N 70 117.864 118.204 -0.340 2
1 884 . 1 1 A 71 71 SER H H 71 8.000 7.716 0.284 2
1 885 . 1 1 A 71 71 SER HA H 71 4.212 4.239 -0.027 2
1 888 . 1 1 A 71 71 SER C C 71 176.074 176.011 0.063 2
1 889 . 1 1 A 71 71 SER CA C 71 61.074 61.434 -0.360 2
1 890 . 1 1 A 71 71 SER CB C 71 62.891 63.191 -0.300 2
1 891 . 1 1 A 71 71 SER N N 71 114.582 116.760 -2.178 2
1 892 . 1 1 A 72 72 ALA H H 72 7.816 7.809 0.007 2
1 893 . 1 1 A 72 72 ALA HA H 72 4.230 4.200 0.030 2
1 897 . 1 1 A 72 72 ALA C C 72 179.631 179.418 0.213 2
1 898 . 1 1 A 72 72 ALA CA C 72 54.245 54.290 -0.045 2
1 899 . 1 1 A 72 72 ALA CB C 72 18.687 18.816 -0.129 2
1 900 . 1 1 A 72 72 ALA N N 72 124.141 123.011 1.130 2
1 901 . 1 1 A 73 73 VAL H H 73 7.728 7.893 -0.165 2
1 902 . 1 1 A 73 73 VAL HA H 73 3.850 3.750 0.100 2
1 910 . 1 1 A 73 73 VAL C C 73 177.286 177.840 -0.554 2
1 911 . 1 1 A 73 73 VAL CA C 73 64.163 65.574 -1.411 2
1 912 . 1 1 A 73 73 VAL CB C 73 32.466 31.910 0.557 2
1 915 . 1 1 A 73 73 VAL N N 73 117.289 117.662 -0.373 2
1 916 . 1 1 A 74 74 ALA H H 74 7.960 7.999 -0.039 2
1 917 . 1 1 A 74 74 ALA HA H 74 4.195 4.114 0.081 2
1 921 . 1 1 A 74 74 ALA C C 74 178.318 179.241 -0.923 2
1 922 . 1 1 A 74 74 ALA CA C 74 53.559 54.951 -1.392 2
1 923 . 1 1 A 74 74 ALA CB C 74 18.612 18.244 0.368 2
1 924 . 1 1 A 74 74 ALA N N 74 123.977 121.969 2.008 2
1 925 . 1 1 A 75 75 ALA H H 75 7.889 7.788 0.101 2
1 926 . 1 1 A 75 75 ALA HA H 75 4.214 4.442 -0.228 2
1 930 . 1 1 A 75 75 ALA C C 75 178.233 177.667 0.566 2
1 931 . 1 1 A 75 75 ALA CA C 75 53.242 52.442 0.800 2
1 932 . 1 1 A 75 75 ALA CB C 75 18.812 19.207 -0.395 2
1 933 . 1 1 A 75 75 ALA N N 75 120.956 119.550 1.406 2
1 934 . 1 1 A 76 76 HIS H H 76 8.057 7.745 0.313 2
1 935 . 1 1 A 76 76 HIS HA H 76 4.585 4.451 0.134 2
1 939 . 1 1 A 76 76 HIS C C 76 176.217 175.767 0.450 2
1 940 . 1 1 A 76 76 HIS CA C 76 56.644 57.098 -0.454 2
1 941 . 1 1 A 76 76 HIS CB C 76 30.282 29.853 0.429 2
1 943 . 1 1 A 76 76 HIS N N 76 117.302 118.729 -1.427 2
1 944 . 1 1 A 77 77 GLY H H 77 8.229 8.328 -0.099 2
1 945 . 1 1 A 77 77 GLY HA2 H 77 3.951 3.795 0.156 2
1 946 . 1 1 A 77 77 GLY HA3 H 77 3.951 3.919 0.032 2
1 947 . 1 1 A 77 77 GLY C C 77 174.415 175.036 -0.621 2
1 948 . 1 1 A 77 77 GLY CA C 77 45.560 45.957 -0.397 2
1 949 . 1 1 A 77 77 GLY N N 77 109.118 110.543 -1.425 2
1 950 . 1 1 A 78 78 GLU H H 78 8.335 8.227 0.108 2
1 951 . 1 1 A 78 78 GLU HA H 78 4.210 4.384 -0.174 2
1 956 . 1 1 A 78 78 GLU C C 78 177.052 177.443 -0.391 2
1 957 . 1 1 A 78 78 GLU CA C 78 56.836 57.829 -0.993 2
1 958 . 1 1 A 78 78 GLU CB C 78 30.136 29.128 1.008 2
1 960 . 1 1 A 78 78 GLU N N 78 120.947 120.728 0.219 2
1 961 . 1 1 A 79 79 LYS H H 79 8.299 7.806 0.493 2
1 962 . 1 1 A 79 79 LYS HA H 79 4.205 4.239 -0.034 2
1 971 . 1 1 A 79 79 LYS C C 79 176.656 176.681 -0.025 2
1 972 . 1 1 A 79 79 LYS CA C 79 57.057 57.610 -0.553 2
1 973 . 1 1 A 79 79 LYS CB C 79 32.811 32.998 -0.187 2
1 977 . 1 1 A 79 79 LYS N N 79 121.638 117.972 3.666 2
1 978 . 1 1 A 80 80 ALA H H 80 8.142 7.656 0.486 2
1 979 . 1 1 A 80 80 ALA HA H 80 4.245 4.601 -0.356 2
1 983 . 1 1 A 80 80 ALA C C 80 177.868 175.914 1.954 2
1 984 . 1 1 A 80 80 ALA CA C 80 52.706 51.206 1.500 2
1 985 . 1 1 A 80 80 ALA CB C 80 19.117 20.553 -1.436 2
1 986 . 1 1 A 80 80 ALA N N 80 123.770 120.198 3.572 2
1 987 . 1 1 A 81 81 LEU H H 81 8.040 8.804 -0.764 2
1 988 . 1 1 A 81 81 LEU HA H 81 4.245 4.832 -0.587 2
1 998 . 1 1 A 81 81 LEU C C 81 177.434 175.783 1.651 2
1 999 . 1 1 A 81 81 LEU CA C 81 55.673 54.340 1.333 2
1 1000 . 1 1 A 81 81 LEU CB C 81 42.160 41.381 0.779 2
1 1004 . 1 1 A 81 81 LEU N N 81 120.893 123.907 -3.014 2
1 1005 . 1 1 A 82 82 LYS H H 82 8.178 8.258 -0.080 2
1 1006 . 1 1 A 82 82 LYS HA H 82 4.283 4.375 -0.092 2
1 1015 . 1 1 A 82 82 LYS C C 82 176.810 177.605 -0.795 2
1 1016 . 1 1 A 82 82 LYS CA C 82 56.715 56.047 0.668 2
1 1017 . 1 1 A 82 82 LYS CB C 82 32.846 33.955 -1.109 2
1 1021 . 1 1 A 82 82 LYS N N 82 121.957 125.037 -3.080 2
1 1022 . 1 1 A 83 83 VAL H H 83 8.123 8.571 -0.448 2
1 1023 . 1 1 A 83 83 VAL HA H 83 4.093 3.870 0.223 2
1 1031 . 1 1 A 83 83 VAL C C 83 176.604 177.534 -0.930 2
1 1032 . 1 1 A 83 83 VAL CA C 83 62.964 65.374 -2.410 2
1 1033 . 1 1 A 83 83 VAL CB C 83 32.742 31.748 0.994 2
1 1036 . 1 1 A 83 83 VAL N N 83 121.150 126.715 -5.565 2
1 1037 . 1 1 A 84 84 THR H H 84 8.162 7.936 0.226 2
1 1038 . 1 1 A 84 84 THR HA H 84 4.276 4.126 0.150 2
1 1043 . 1 1 A 84 84 THR C C 84 174.773 176.253 -1.480 2
1 1044 . 1 1 A 84 84 THR CA C 84 62.558 65.066 -2.508 2
1 1045 . 1 1 A 84 84 THR CB C 84 69.726 68.567 1.159 2
1 1047 . 1 1 A 84 84 THR N N 84 117.587 116.258 1.329 2
1 1048 . 1 1 A 85 85 MET H H 85 8.353 8.257 0.096 2
1 1049 . 1 1 A 85 85 MET HA H 85 4.448 4.152 0.296 2
1 1054 . 1 1 A 85 85 MET C C 85 176.518 178.163 -1.645 2
1 1055 . 1 1 A 85 85 MET CA C 85 56.074 57.611 -1.537 2
1 1056 . 1 1 A 85 85 MET CB C 85 32.837 32.267 0.569 2
1 1058 . 1 1 A 85 85 MET N N 85 122.707 119.249 3.458 2
1 1059 . 1 1 A 86 86 ILE H H 86 8.113 7.813 0.300 2
1 1060 . 1 1 A 86 86 ILE HA H 86 4.061 3.781 0.280 2
1 1070 . 1 1 A 86 86 ILE C C 86 176.712 177.949 -1.237 2
1 1071 . 1 1 A 86 86 ILE CA C 86 62.006 65.073 -3.067 2
1 1072 . 1 1 A 86 86 ILE CB C 86 38.402 37.377 1.025 2
1 1076 . 1 1 A 86 86 ILE N N 86 121.834 120.200 1.634 2
1 1077 . 1 1 A 87 87 GLN H H 87 8.328 8.106 0.222 2
1 1078 . 1 1 A 87 87 GLN HA H 87 4.190 3.974 0.216 2
1 1085 . 1 1 A 87 87 GLN C C 87 176.617 178.104 -1.487 2
1 1086 . 1 1 A 87 87 GLN CA C 87 56.798 59.145 -2.347 2
1 1087 . 1 1 A 87 87 GLN CB C 87 29.044 28.200 0.844 2
1 1089 . 1 1 A 87 87 GLN N N 87 123.529 120.583 2.946 2
1 1091 . 1 1 A 88 88 LYS H H 88 8.232 7.646 0.586 2
1 1092 . 1 1 A 88 88 LYS HA H 88 4.133 4.040 0.093 2
1 1101 . 1 1 A 88 88 LYS C C 88 176.983 178.188 -1.205 2
1 1102 . 1 1 A 88 88 LYS CA C 88 57.289 58.402 -1.113 2
1 1103 . 1 1 A 88 88 LYS CB C 88 32.806 31.881 0.925 2
1 1107 . 1 1 A 88 88 LYS N N 88 121.677 118.593 3.084 2
1 1108 . 1 1 A 89 89 TYR H H 89 8.086 7.399 0.687 2
1 1109 . 1 1 A 89 89 TYR HA H 89 4.492 4.429 0.063 2
1 1116 . 1 1 A 89 89 TYR C C 89 176.250 178.098 -1.848 2
1 1117 . 1 1 A 89 89 TYR CA C 89 58.546 60.569 -2.023 2
1 1118 . 1 1 A 89 89 TYR CB C 89 38.410 38.449 -0.039 2
1 1123 . 1 1 A 89 89 TYR N N 89 119.993 118.737 1.256 2
1 1124 . 1 1 A 90 90 ARG H H 90 8.127 8.134 -0.007 2
1 1125 . 1 1 A 90 90 ARG HA H 90 4.119 4.217 -0.098 2
1 1132 . 1 1 A 90 90 ARG C C 90 176.628 177.924 -1.296 2
1 1133 . 1 1 A 90 90 ARG CA C 90 57.085 58.555 -1.470 2
1 1134 . 1 1 A 90 90 ARG CB C 90 30.568 30.349 0.219 2
1 1137 . 1 1 A 90 90 ARG N N 90 121.679 119.939 1.740 2
1 1138 . 1 1 A 91 91 GLN H H 91 8.232 7.879 0.353 2
1 1139 . 1 1 A 91 91 GLN HA H 91 4.179 4.356 -0.176 2
1 1146 . 1 1 A 91 91 GLN C C 91 176.491 176.473 0.018 2
1 1147 . 1 1 A 91 91 GLN CA C 91 56.800 56.401 0.399 2
1 1148 . 1 1 A 91 91 GLN CB C 91 29.129 28.598 0.531 2
1 1150 . 1 1 A 91 91 GLN N N 91 120.420 117.064 3.356 2
1 1152 . 1 1 A 92 92 LEU H H 92 8.118 7.653 0.465 2
1 1153 . 1 1 A 92 92 LEU HA H 92 4.269 4.347 -0.078 2
1 1162 . 1 1 A 92 92 LEU C C 92 177.632 176.703 0.929 2
1 1163 . 1 1 A 92 92 LEU CA C 92 55.419 56.200 -0.781 2
1 1164 . 1 1 A 92 92 LEU CB C 92 42.238 42.421 -0.183 2
1 1167 . 1 1 A 92 92 LEU N N 92 122.670 121.692 0.978 2
1 1168 . 1 1 A 93 93 HIS H H 93 8.049 8.332 -0.283 2
1 1169 . 1 1 A 93 93 HIS HA H 93 4.228 4.845 -0.617 2
1 1172 . 1 1 A 93 93 HIS C C 93 177.608 174.753 2.855 2
1 1173 . 1 1 A 93 93 HIS CA C 93 55.512 55.627 -0.115 2
1 1174 . 1 1 A 93 93 HIS CB C 93 42.238 30.668 11.570 2
1 1175 . 1 1 A 93 93 HIS N N 93 121.742 121.475 0.267 2
1 1176 . 1 1 A 94 94 HIS H H 94 8.153 8.586 -0.433 2
1 1177 . 1 1 A 94 94 HIS HA H 94 4.141 4.650 -0.509 2
1 1180 . 1 1 A 94 94 HIS CA C 94 56.804 56.259 0.545 2
1 1181 . 1 1 A 94 94 HIS CB C 94 30.254 31.070 -0.816 2
1 1182 . 1 1 A 94 94 HIS N N 94 120.504 122.209 -1.705 2
stop_
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